1 LEU ( 16 ) A N -> 4 ASP ( 19 ) A O Sym= 1 Val= 0.490 DA= 3.41 DHA= 26.92 4 ASP ( 19 ) A N -> 4 ASP ( 19 ) A OD1 Sym= 1 Val= 0.203 DA= 2.69 DHA= 66.92 9 LEU ( 24 ) A N -> 6 PRO ( 21 ) A O Sym= 1 Val= 0.640 DA= 3.20 DHA= 15.56 12 GLU ( 27 ) A N -> 7 PRO ( 22 ) A O Sym= 1 Val= 0.488 DA= 2.57 DHA= 33.48 13 LEU ( 28 ) A N -> 9 LEU ( 24 ) A O Sym= 1 Val= 0.552 DA= 2.97 DHA= 26.79 14 CYS ( 29 ) A N -> 10 LEU ( 25 ) A O Sym= 1 Val= 0.599 DA= 2.94 DHA= 24.40 15 ALA ( 30 ) A N -> 11 GLY ( 26 ) A O Sym= 1 Val= 0.440 DA= 3.19 DHA= 38.24 16 VAL ( 31 ) A N -> 12 GLU ( 27 ) A O Sym= 1 Val= 0.601 DA= 2.78 DHA= 25.91 17 LEU ( 32 ) A N -> 13 LEU ( 28 ) A O Sym= 1 Val= 0.369 DA= 3.28 DHA= 37.31 19 SER ( 34 ) A N -> 16 VAL ( 31 ) A O Sym= 1 Val= 0.199 DA= 3.46 DHA= 41.71 19 SER ( 34 ) A N -> 15 ALA ( 30 ) A O Sym= 1 Val= 0.180 DA= 3.74 DHA= 36.14 20 CYS ( 35 ) A N -> 17 LEU ( 32 ) A O Sym= 1 Val= 0.222 DA= 2.95 DHA= 30.49 21 ASP ( 36 ) A N -> 20 CYS ( 35 ) A SG Sym= 1 Val= 0.151 DA= 3.29 DHA= 81.05 22 GLY ( 37 ) A N -> 20 CYS ( 35 ) A SG Sym= 1 Val= 0.143 DA= 3.70 DHA= 48.91 24 LEU ( 39 ) A N -> 20 CYS ( 35 ) A SG Sym= 1 Val= 0.154 DA= 3.12 DHA= 25.92 25 GLY ( 40 ) A N -> 20 CYS ( 35 ) A SG Sym= 1 Val= 0.133 DA= 2.95 DHA= 40.32 28 GLY ( 43 ) A N -> 25 GLY ( 40 ) A O Sym= 1 Val= 0.286 DA= 2.81 DHA= 33.85 31 GLU ( 46 ) A N -> 27 ARG ( 42 ) A O Sym= 1 Val= 0.503 DA= 2.65 DHA= 26.05 32 ARG ( 47 ) A N -> 28 GLY ( 43 ) A O Sym= 1 Val= 0.523 DA= 3.59 DHA= 18.00 32 ARG ( 47 ) A NH1 -> 78 MET ( 93 ) A SD Sym= 1 Val= 0.132 DA= 3.18 DHA= 69.98 32 ARG ( 47 ) A NH1 -> 28 GLY ( 43 ) A O Sym= 1 Val= 0.520 DA= 2.99 DHA= 36.09 33 LEU ( 48 ) A N -> 29 LEU ( 44 ) A O Sym= 1 Val= 0.642 DA= 3.06 DHA= 22.88 34 SER ( 49 ) A N -> 30 ALA ( 45 ) A O Sym= 1 Val= 0.579 DA= 2.74 DHA= 20.85 39 ASP ( 54 ) A N -> 36 SER ( 51 ) A OG Sym= 1 Val= 0.177 DA= 3.58 DHA= 24.10 41 ASP ( 56 ) A N -> 38 LEU ( 53 ) A O Sym= 1 Val= 0.229 DA= 3.24 DHA= 40.83 42 HIS ( 57 ) A N -> 39 ASP ( 54 ) A O Sym= 1 Val= 0.171 DA= 3.18 DHA= 57.90 42 HIS ( 57 ) A N -> 38 LEU ( 53 ) A O Sym= 1 Val= 0.043 DA= 3.92 DHA= 26.56 43 ILE ( 58 ) A N -> 39 ASP ( 54 ) A O Sym= 1 Val= 0.514 DA= 3.11 DHA= 39.21 44 GLU ( 59 ) A N -> 40 VAL ( 55 ) A O Sym= 1 Val= 0.462 DA= 3.33 DHA= 25.17 45 LYS ( 60 ) A N -> 41 ASP ( 56 ) A O Sym= 1 Val= 0.369 DA= 3.59 DHA= 32.53 45 LYS ( 60 ) A NZ -> 41 ASP ( 56 ) A OD2 Sym= 1 Val= 0.316 DA= 3.17 DHA= 51.48 46 GLU ( 61 ) A N -> 42 HIS ( 57 ) A O Sym= 1 Val= 0.614 DA= 3.20 DHA= 18.74 47 VAL ( 62 ) A N -> 43 ILE ( 58 ) A O Sym= 1 Val= 0.272 DA= 3.29 DHA= 56.16 49 GLN ( 64 ) A N -> 46 GLU ( 61 ) A O Sym= 1 Val= 0.237 DA= 2.74 DHA= 37.78 51 LYS ( 66 ) A N -> 46 GLU ( 61 ) A O Sym= 1 Val= 0.397 DA= 3.04 DHA= 57.92 51 LYS ( 66 ) A NZ -> 17 LEU ( 32 ) A O Sym= 1 Val= 0.231 DA= 2.98 DHA= 60.62 52 SER ( 67 ) A OG -> 46 GLU ( 61 ) A OE2 Sym= 1 Val= 0.260 DA= 3.36 DHA= 33.43 55 ARG ( 70 ) A NH1 -> 49 GLN ( 64 ) A O Sym= 1 Val= 0.381 DA= 2.93 DHA= 71.45 56 GLU ( 71 ) A N -> 52 SER ( 67 ) A O Sym= 1 Val= 0.327 DA= 2.99 DHA= 39.92 58 LEU ( 73 ) A N -> 54 THR ( 69 ) A O Sym= 1 Val= 0.696 DA= 2.96 DHA= 16.59 59 TRP ( 74 ) A N -> 55 ARG ( 70 ) A O Sym= 1 Val= 0.641 DA= 2.85 DHA= 23.16 60 SER ( 75 ) A N -> 56 GLU ( 71 ) A O Sym= 1 Val= 0.353 DA= 2.82 DHA= 72.19 64 LYS ( 79 ) A NZ -> 3 PHE ( 18 ) A O Sym= 1 Val= 0.075 DA= 3.10 DHA= 80.28 64 LYS ( 79 ) A NZ -> 66 LYS ( 81 ) A O Sym= 1 Val= 0.360 DA= 2.72 DHA= 78.25 64 LYS ( 79 ) A NZ -> 3 PHE ( 18 ) A O Sym= 1 Val= 0.261 DA= 3.10 DHA= 63.82 64 LYS ( 79 ) A NZ -> 66 LYS ( 81 ) A O Sym= 1 Val= 0.415 DA= 2.72 DHA= 58.67 65 ASN ( 80 ) A N -> 3 PHE ( 18 ) A O Sym= 1 Val= 0.230 DA= 3.53 DHA= 47.40 66 LYS ( 81 ) A NZ -> 70 ASP ( 85 ) A OD2 Sym= 1 Val= 0.602 DA= 3.23 DHA= 22.20 70 ASP ( 85 ) A N -> 67 THR ( 82 ) A OG1 Sym= 1 Val= 0.555 DA= 3.50 DHA= 26.09 70 ASP ( 85 ) A N -> 67 THR ( 82 ) A O Sym= 1 Val= 0.014 DA= 3.16 DHA= 59.92 71 LEU ( 86 ) A N -> 67 THR ( 82 ) A O Sym= 1 Val= 0.606 DA= 3.26 DHA= 19.95 72 LEU ( 87 ) A N -> 68 ILE ( 83 ) A O Sym= 1 Val= 0.541 DA= 2.90 DHA= 37.58 73 GLN ( 88 ) A N -> 69 GLY ( 84 ) A O Sym= 1 Val= 0.276 DA= 3.59 DHA= 39.45 73 GLN ( 88 ) A NE2 -> 69 GLY ( 84 ) A O Sym= 1 Val= 0.300 DA= 3.74 DHA= 22.89 74 VAL ( 89 ) A N -> 71 LEU ( 86 ) A O Sym= 1 Val= 0.197 DA= 3.17 DHA= 55.70 75 LEU ( 90 ) A N -> 71 LEU ( 86 ) A O Sym= 1 Val= 0.531 DA= 2.85 DHA= 36.81 76 GLN ( 91 ) A N -> 72 LEU ( 87 ) A O Sym= 1 Val= 0.628 DA= 3.14 DHA= 19.89 77 GLU ( 92 ) A N -> 73 GLN ( 88 ) A O Sym= 1 Val= 0.258 DA= 3.77 DHA= 26.96 78 MET ( 93 ) A N -> 74 VAL ( 89 ) A O Sym= 1 Val= 0.664 DA= 2.88 DHA= 20.09 79 GLY ( 94 ) A N -> 75 LEU ( 90 ) A O Sym= 1 Val= 0.581 DA= 2.79 DHA= 29.73 80 HIS ( 95 ) A N -> 75 LEU ( 90 ) A O Sym= 1 Val= 0.701 DA= 3.03 DHA= 18.03 81 ARG ( 96 ) A N -> 79 GLY ( 94 ) A O Sym= 1 Val= 0.396 DA= 2.93 DHA= 59.45 83 ALA ( 98 ) A N -> 80 HIS ( 95 ) A ND1 Sym= 1 Val= 0.323 DA= 3.01 DHA= 34.42 84 ILE ( 99 ) A N -> 80 HIS ( 95 ) A O Sym= 1 Val= 0.463 DA= 3.44 DHA= 28.20 85 HIS ( 100 ) A N -> 81 ARG ( 96 ) A O Sym= 1 Val= 0.570 DA= 3.33 DHA= 23.28 86 LEU ( 101 ) A N -> 82 ARG ( 97 ) A O Sym= 1 Val= 0.693 DA= 3.05 DHA= 15.00 87 ILE ( 102 ) A N -> 83 ALA ( 98 ) A O Sym= 1 Val= 0.490 DA= 2.66 DHA= 47.78 88 THR ( 103 ) A N -> 85 HIS ( 100 ) A O Sym= 1 Val= 0.274 DA= 3.61 DHA= 24.24 88 THR ( 103 ) A OG1 -> 85 HIS ( 100 ) A O Sym= 1 Val= 0.565 DA= 2.72 DHA= 10.98 89 ASN ( 104 ) A N -> 86 LEU ( 101 ) A O Sym= 1 Val= 0.674 DA= 3.03 DHA= 18.57 90 TYR ( 105 ) A N -> 87 ILE ( 102 ) A O Sym= 1 Val= 0.473 DA= 3.15 DHA= 26.67