============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. HIS 5 0.900 62.284 57.288 73.280 -99.200 -91.000 HIS 7 0.900 60.513 55.129 68.428 -99.200 -91.000 HIS 13 0.900 54.864 55.553 64.937 -99.200 -91.000 HIS 17 0.900 70.184 53.495 55.326 -99.200 -91.000 TYR 21 0.840 66.220 57.867 62.132 -99.200 -91.000 PHE 35 1.000 69.249 53.313 65.074 -99.200 -91.000 HIS 38 0.900 56.808 53.016 69.279 -99.200 -91.000 TRP 44 1.040 46.080 40.633 72.117 -99.200 -91.000 TRP6 44 1.020 46.357 42.027 74.008 -99.200 -91.000 TYR 45 0.840 49.759 47.216 73.588 -99.200 -91.000 PHE 58 1.000 64.133 40.526 57.251 -99.200 -91.000 TYR 59 0.840 65.014 47.267 66.105 -99.200 -91.000 TYR 74 0.840 76.272 52.324 72.528 -99.200 -91.000 PHE 83 1.000 53.132 47.339 83.179 -99.200 -91.000 HIS 84 0.900 47.443 46.838 77.998 -99.200 -91.000 PHE 90 1.000 54.790 39.240 72.706 -99.200 -91.000 TYR 98 0.840 70.214 41.153 69.664 -99.200 -91.000 PHE 100 1.000 66.043 43.373 72.357 -99.200 -91.000 TYR 102 0.840 67.517 53.004 77.425 -99.200 -91.000 HIS 108 0.900 53.620 54.057 74.177 -99.200 -91.000 TYR 109 0.840 46.630 51.148 73.403 -99.200 -91.000 TRP 113 1.040 42.181 57.458 74.836 -99.200 -91.000 TRP6 113 1.020 42.456 58.966 76.655 -99.200 -91.000 HIS 117 0.900 46.619 57.214 66.941 -99.200 -91.000 HIS 120 0.900 41.587 57.448 68.177 -99.200 -91.000 TYR 124 0.840 44.157 63.441 76.783 -99.200 -91.000 TRP 126 1.040 34.063 62.730 74.929 -99.200 -91.000 TRP6 126 1.020 31.735 62.502 75.076 -99.200 -91.000 PHE 133 1.000 48.554 64.489 83.646 -99.200 -91.000 TYR 136 0.840 51.047 57.615 81.397 -99.200 -91.000 PHE 137 1.000 51.833 60.574 86.888 -99.200 -91.000 PHE 149 1.000 59.177 47.703 80.869 -99.200 -91.000 HIS 150 0.900 68.045 47.778 80.694 -99.200 -91.000 HIS 154 0.900 56.283 58.017 76.724 -99.200 -91.000 PHE 161 1.000 47.697 64.450 71.738 -99.200 -91.000 HIS 163 0.900 44.406 67.852 77.082 -99.200 -91.000 PHE 187 1.000 69.774 54.491 85.505 -99.200 -91.000 TYR 203 0.840 56.462 63.863 76.742 -99.200 -91.000 HIS 226 0.900 58.585 58.405 66.251 -99.200 -91.000 PHE 233 1.000 63.648 69.481 68.771 -99.200 -91.000 PHE 235 1.000 69.550 64.513 72.934 -99.200 -91.000 PHE 247 1.000 68.406 65.411 87.762 -99.200 -91.000 TYR 251 0.840 73.715 57.716 85.476 -99.200 -91.000 TYR 252 0.840 76.590 56.235 76.940 -99.200 -91.000 PHE 253 1.000 70.507 51.623 81.427 -99.200 -91.000 TYR 261 0.840 76.045 61.702 79.451 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z4gA1 MET 1 HA -0.04 -0.02 0.10 -0.75 4.52 3.81 2z4gA1 MET 1 HB2 -0.11 0.02 0.18 -0.04 2.15 2.20 2z4gA1 MET 1 HB3 -0.15 0.04 0.05 -0.04 2.03 1.94 2z4gA1 MET 1 HG2 -0.37 -0.04 -0.35 -0.04 2.63 1.84 2z4gA1 MET 1 HG3 -0.17 0.02 0.02 -0.04 2.56 2.38 2z4gA1 MET 1 HE3 -0.00 0.01 0.01 -0.04 2.10 2.08 2z4gA1 VAL 2 H -0.19 0.35 0.06 -0.55 8.24 7.91 2z4gA1 VAL 2 HA -0.15 0.20 0.78 -0.75 4.13 4.21 2z4gA1 VAL 2 HB -0.47 0.01 -0.07 -0.04 2.12 1.55 2z4gA1 VAL 2 HG13 -0.10 -0.05 -0.54 -0.04 0.97 0.25 2z4gA1 VAL 2 HG23 -0.96 0.01 -0.31 -0.04 0.95 -0.35 2z4gA1 ASP 3 H -0.00 0.60 0.24 -0.55 8.40 8.69 2z4gA1 ASP 3 HA 0.52 0.15 0.81 -0.75 4.63 5.36 2z4gA1 ASP 3 HB2 -0.11 0.08 0.13 -0.04 2.71 2.76 2z4gA1 ASP 3 HB3 -0.05 0.04 0.27 -0.04 2.70 2.92 2z4gA1 SER 4 H 0.21 0.64 0.24 -0.55 8.46 9.01 2z4gA1 SER 4 HA 0.07 0.06 0.75 -0.75 4.49 4.61 2z4gA1 SER 4 HB2 0.13 0.27 0.04 -0.04 3.95 4.34 2z4gA1 SER 4 HB3 0.01 -0.06 0.12 -0.04 3.93 3.96 2z4gA1 HIS 5 H 0.18 -0.01 -0.34 -0.55 8.41 7.70 2z4gA1 HIS 5 HA -0.01 0.25 0.69 -0.75 4.63 4.81 2z4gA1 HIS 5 HB2 0.15 0.21 -0.32 -0.04 3.26 3.26 2z4gA1 HIS 5 HB3 0.15 -0.38 0.14 -0.04 3.20 3.07 2z4gA1 HIS 5 HD2 -0.20 0.04 -0.33 -0.04 6.97 6.43 2z4gA1 HIS 5 HE1 0.08 -0.03 -0.07 -0.04 7.75 7.68 2z4gA1 VAL 6 H -0.08 0.41 0.13 -0.55 8.24 8.15 2z4gA1 VAL 6 HA -0.01 0.06 0.78 -0.75 4.13 4.20 2z4gA1 VAL 6 HB -0.06 0.04 0.06 -0.04 2.12 2.12 2z4gA1 VAL 6 HG13 -0.10 0.01 -0.20 -0.04 0.97 0.64 2z4gA1 VAL 6 HG23 -0.55 0.06 -0.25 -0.04 0.95 0.17 2z4gA1 HIS 7 H -0.03 0.63 0.13 -0.55 8.41 8.59 2z4gA1 HIS 7 HA -0.06 0.09 0.69 -0.75 4.63 4.60 2z4gA1 HIS 7 HB2 -0.57 0.18 0.07 -0.04 3.26 2.91 2z4gA1 HIS 7 HB3 -0.25 -0.07 0.13 -0.04 3.20 2.98 2z4gA1 HIS 7 HD2 -0.30 0.02 -0.35 -0.04 6.97 6.30 2z4gA1 HIS 7 HE1 -0.81 0.05 -0.05 -0.04 7.75 6.89 2z4gA1 THR 8 H 0.06 0.19 0.21 -0.55 8.28 8.20 2z4gA1 THR 8 HA -0.08 0.30 0.66 -0.75 4.39 4.51 2z4gA1 THR 8 HB -0.07 0.08 0.09 -0.04 4.32 4.39 2z4gA1 THR 8 HG23 0.03 0.03 -0.19 -0.04 1.22 1.04 2z4gA1 PRO 9 HA 0.04 0.07 0.37 -0.51 4.44 4.42 2z4gA1 PRO 9 HB2 0.03 -0.01 -0.01 -0.04 2.28 2.25 2z4gA1 PRO 9 HB3 0.05 0.16 0.12 -0.04 2.02 2.31 2z4gA1 PRO 9 HG2 0.10 0.03 -0.12 -0.04 2.03 2.00 2z4gA1 PRO 9 HG3 0.15 -0.05 -0.56 -0.04 2.03 1.53 2z4gA1 PRO 9 HD2 0.04 0.08 0.10 -0.04 3.68 3.86 2z4gA1 PRO 9 HD3 0.17 0.20 -0.09 -0.04 3.65 3.89 2z4gA1 LEU 10 H 0.02 0.03 -0.67 -0.55 8.37 7.21 2z4gA1 LEU 10 HA 0.00 0.14 0.48 -0.75 4.35 4.22 2z4gA1 LEU 10 HB2 0.01 -0.01 -0.01 -0.04 1.64 1.60 2z4gA1 LEU 10 HB3 0.01 0.01 0.04 -0.04 1.64 1.66 2z4gA1 LEU 10 HG 0.05 -0.05 -0.05 -0.04 1.64 1.55 2z4gA1 LEU 10 HD13 0.16 0.02 -0.06 -0.04 0.93 1.00 2z4gA1 LEU 10 HD23 0.01 0.01 -0.07 -0.04 0.89 0.80 2z4gA1 CYS 11 H -0.02 0.33 -0.19 -0.55 8.50 8.07 2z4gA1 CYS 11 HA 0.01 0.08 0.29 -0.75 4.58 4.21 2z4gA1 CYS 11 HB2 0.06 0.31 0.06 -0.04 2.97 3.36 2z4gA1 CYS 11 HB3 0.07 -0.14 0.13 -0.04 2.97 2.98 2z4gA1 GLY 12 H -0.01 0.25 -0.63 -0.55 8.43 7.49 2z4gA1 GLY 12 HA2 0.03 0.01 0.29 -0.51 4.01 3.83 2z4gA1 GLY 12 HA3 0.07 0.28 0.53 -0.51 4.01 4.38 2z4gA1 HIS 13 H -0.23 0.03 -0.63 -0.55 8.41 7.03 2z4gA1 HIS 13 HA 0.03 0.21 0.84 -0.75 4.63 4.96 2z4gA1 HIS 13 HB2 -0.06 -0.04 0.14 -0.04 3.26 3.25 2z4gA1 HIS 13 HB3 -0.04 0.07 -0.15 -0.04 3.20 3.03 2z4gA1 HIS 13 HD2 -0.05 0.25 -0.06 -0.04 6.97 7.06 2z4gA1 HIS 13 HE1 0.17 -0.05 -0.01 -0.04 7.75 7.81 2z4gA1 ALA 14 H 0.05 0.25 -0.05 -0.55 8.40 8.10 2z4gA1 ALA 14 HA 0.20 0.27 0.71 -0.75 4.34 4.76 2z4gA1 ALA 14 HB3 0.14 -0.00 -0.32 -0.04 1.41 1.19 2z4gA1 GLU 15 H 0.16 0.72 0.33 -0.55 8.60 9.27 2z4gA1 GLU 15 HA 0.10 0.16 0.87 -0.75 4.29 4.67 2z4gA1 GLU 15 HB2 0.05 -0.03 0.03 -0.04 2.09 2.09 2z4gA1 GLU 15 HB3 0.05 -0.08 0.11 -0.04 1.99 2.03 2z4gA1 GLU 15 HG2 0.04 -0.00 -0.06 -0.04 2.34 2.28 2z4gA1 GLU 15 HG3 0.06 0.11 -0.24 -0.04 2.34 2.23 2z4gA1 GLY 16 H 0.09 0.10 0.09 -0.55 8.43 8.16 2z4gA1 GLY 16 HA2 0.07 -0.04 0.41 -0.51 4.01 3.94 2z4gA1 GLY 16 HA3 0.01 0.16 0.70 -0.51 4.01 4.37 2z4gA1 HIS 17 H 0.20 0.10 0.17 -0.55 8.41 8.34 2z4gA1 HIS 17 HA 0.08 0.19 0.49 -0.75 4.63 4.63 2z4gA1 HIS 17 HB2 0.05 0.08 0.16 -0.04 3.26 3.50 2z4gA1 HIS 17 HB3 0.06 -0.14 0.14 -0.04 3.20 3.22 2z4gA1 HIS 17 HD2 0.02 0.04 0.04 -0.04 6.97 7.02 2z4gA1 HIS 17 HE1 0.00 0.09 0.02 -0.04 7.75 7.82 2z4gA1 PRO 18 HA 0.32 0.12 0.36 -0.51 4.44 4.73 2z4gA1 PRO 18 HB2 -0.23 0.09 -0.02 -0.04 2.28 2.08 2z4gA1 PRO 18 HB3 -0.43 0.07 0.10 -0.04 2.02 1.72 2z4gA1 PRO 18 HG2 0.06 -0.00 0.08 -0.04 2.03 2.12 2z4gA1 PRO 18 HG3 -0.23 0.11 0.06 -0.04 2.03 1.92 2z4gA1 PRO 18 HD2 -0.69 0.06 0.25 -0.04 3.68 3.27 2z4gA1 PRO 18 HD3 -0.16 0.20 0.23 -0.04 3.65 3.88 2z4gA1 GLU 19 H 0.78 0.11 -0.30 -0.55 8.60 8.65 2z4gA1 GLU 19 HA 0.15 0.16 0.44 -0.75 4.29 4.28 2z4gA1 GLU 19 HB2 -0.32 -0.04 0.02 -0.04 2.09 1.72 2z4gA1 GLU 19 HB3 -0.06 0.07 0.01 -0.04 1.99 1.97 2z4gA1 GLU 19 HG2 0.07 0.10 -0.02 -0.04 2.34 2.45 2z4gA1 GLU 19 HG3 0.20 -0.08 -0.03 -0.04 2.34 2.39 2z4gA1 ALA 20 H 0.21 0.29 -0.30 -0.55 8.40 8.05 2z4gA1 ALA 20 HA 0.01 0.10 0.50 -0.75 4.34 4.20 2z4gA1 ALA 20 HB3 0.03 0.03 0.11 -0.04 1.41 1.54 2z4gA1 TYR 21 H 0.40 0.30 -0.27 -0.55 8.29 8.17 2z4gA1 TYR 21 HA 0.04 0.01 0.47 -0.75 4.56 4.33 2z4gA1 TYR 21 HB2 0.28 0.29 0.16 -0.04 3.06 3.75 2z4gA1 TYR 21 HB3 0.05 -0.02 -0.06 -0.04 2.98 2.91 2z4gA1 TYR 21 HD2 0.09 -0.00 -0.23 -0.04 7.15 6.98 2z4gA1 TYR 21 HE2 0.08 0.05 -0.39 -0.04 6.85 6.55 2z4gA1 LEU 22 H 0.24 0.39 -0.16 -0.55 8.37 8.29 2z4gA1 LEU 22 HA 0.05 0.04 0.33 -0.75 4.35 4.01 2z4gA1 LEU 22 HB2 0.08 0.08 0.02 -0.04 1.64 1.79 2z4gA1 LEU 22 HB3 0.05 0.03 -0.07 -0.04 1.64 1.60 2z4gA1 LEU 22 HG 0.24 0.10 -0.01 -0.04 1.64 1.93 2z4gA1 LEU 22 HD13 0.09 0.01 -0.11 -0.04 0.93 0.87 2z4gA1 LEU 22 HD23 0.07 -0.01 -0.10 -0.04 0.89 0.81 2z4gA1 GLU 23 H 0.05 0.37 -0.32 -0.55 8.60 8.16 2z4gA1 GLU 23 HA 0.00 0.08 0.56 -0.75 4.29 4.17 2z4gA1 GLU 23 HB2 -0.00 0.03 0.12 -0.04 2.09 2.20 2z4gA1 GLU 23 HB3 0.00 0.07 0.14 -0.04 1.99 2.16 2z4gA1 GLU 23 HG2 -0.01 -0.03 -0.02 -0.04 2.34 2.24 2z4gA1 GLU 23 HG3 -0.01 -0.00 -0.22 -0.04 2.34 2.06 2z4gA1 GLU 24 H 0.01 0.45 -0.21 -0.55 8.60 8.30 2z4gA1 GLU 24 HA -0.02 0.03 0.46 -0.75 4.29 4.00 2z4gA1 GLU 24 HB2 -0.05 -0.07 0.03 -0.04 2.09 1.96 2z4gA1 GLU 24 HB3 -0.03 0.11 0.15 -0.04 1.99 2.17 2z4gA1 GLU 24 HG2 -0.04 0.05 0.01 -0.04 2.34 2.31 2z4gA1 GLU 24 HG3 -0.05 0.05 -0.11 -0.04 2.34 2.20 2z4gA1 ALA 25 H -0.01 0.34 -0.34 -0.55 8.40 7.84 2z4gA1 ALA 25 HA -0.07 0.00 0.30 -0.75 4.34 3.83 2z4gA1 ALA 25 HB3 -0.05 0.04 -0.02 -0.04 1.41 1.35 2z4gA1 ARG 26 H -0.01 0.35 -0.27 -0.55 8.46 7.98 2z4gA1 ARG 26 HA -0.02 0.18 0.44 -0.75 4.34 4.19 2z4gA1 ARG 26 HB2 -0.01 0.08 0.12 -0.04 1.90 2.06 2z4gA1 ARG 26 HB3 -0.01 -0.04 0.00 -0.04 1.80 1.71 2z4gA1 ARG 26 HG2 -0.01 0.05 -0.02 -0.04 1.67 1.65 2z4gA1 ARG 26 HG3 -0.00 0.27 0.10 -0.04 1.67 2.00 2z4gA1 ARG 26 HD2 -0.00 -0.06 -0.00 -0.04 3.22 3.11 2z4gA1 ARG 26 HD3 -0.00 -0.02 -0.02 -0.04 3.22 3.14 2z4gA1 ALA 27 H -0.02 0.49 -0.16 -0.55 8.40 8.17 2z4gA1 ALA 27 HA -0.02 0.03 0.44 -0.75 4.34 4.04 2z4gA1 ALA 27 HB3 -0.02 0.00 0.11 -0.04 1.41 1.46 2z4gA1 LYS 28 H -0.04 0.30 -0.55 -0.55 8.42 7.58 2z4gA1 LYS 28 HA -0.03 0.08 0.63 -0.75 4.32 4.24 2z4gA1 LYS 28 HB2 -0.07 0.01 0.03 -0.04 1.87 1.79 2z4gA1 LYS 28 HB3 -0.06 -0.09 0.12 -0.04 1.79 1.72 2z4gA1 LYS 28 HG2 -0.05 0.07 -0.06 -0.04 1.46 1.37 2z4gA1 LYS 28 HG3 -0.10 0.03 -0.13 -0.04 1.46 1.22 2z4gA1 LYS 28 HD2 -0.10 -0.06 -0.02 -0.04 1.69 1.48 2z4gA1 LYS 28 HD3 -0.05 -0.00 -0.02 -0.04 1.68 1.57 2z4gA1 LYS 28 HE2 -0.05 -0.11 -0.04 -0.04 2.99 2.76 2z4gA1 LYS 28 HE3 -0.03 -0.03 -0.05 -0.04 2.99 2.83 2z4gA1 GLY 29 H -0.02 0.44 -0.53 -0.55 8.43 7.77 2z4gA1 GLY 29 HA2 -0.01 0.03 0.31 -0.51 4.01 3.83 2z4gA1 GLY 29 HA3 -0.01 -0.01 0.41 -0.51 4.01 3.90 2z4gA1 LEU 30 H -0.03 0.52 -0.12 -0.55 8.37 8.19 2z4gA1 LEU 30 HA -0.03 0.09 0.49 -0.75 4.35 4.14 2z4gA1 LEU 30 HB2 -0.05 -0.07 -0.01 -0.04 1.64 1.47 2z4gA1 LEU 30 HB3 -0.05 0.00 0.03 -0.04 1.64 1.58 2z4gA1 LEU 30 HG -0.06 0.07 -0.10 -0.04 1.64 1.52 2z4gA1 LEU 30 HD13 -0.14 -0.08 -0.06 -0.04 0.93 0.62 2z4gA1 LEU 30 HD23 0.09 -0.01 -0.24 -0.04 0.89 0.69 2z4gA1 LYS 31 H -0.10 0.68 0.36 -0.55 8.42 8.80 2z4gA1 LYS 31 HA -0.04 0.17 0.70 -0.75 4.32 4.40 2z4gA1 LYS 31 HB2 -0.14 0.06 0.09 -0.04 1.87 1.83 2z4gA1 LYS 31 HB3 -0.06 -0.05 0.18 -0.04 1.79 1.81 2z4gA1 LYS 31 HG2 -0.06 0.06 0.07 -0.04 1.46 1.49 2z4gA1 LYS 31 HG3 -0.05 -0.05 0.04 -0.04 1.46 1.36 2z4gA1 LYS 31 HD2 -0.02 -0.00 0.07 -0.04 1.69 1.69 2z4gA1 LYS 31 HD3 -0.03 0.10 -0.19 -0.04 1.68 1.51 2z4gA1 LYS 31 HE2 -0.02 0.05 -0.00 -0.04 2.99 2.97 2z4gA1 LYS 31 HE3 -0.02 -0.06 0.01 -0.04 2.99 2.89 2z4gA1 GLY 32 H -0.09 0.16 -0.04 -0.55 8.43 7.92 2z4gA1 GLY 32 HA2 -0.06 0.11 0.46 -0.51 4.01 4.01 2z4gA1 GLY 32 HA3 -0.03 0.08 0.46 -0.51 4.01 4.01 2z4gA1 VAL 33 H -0.20 0.68 0.36 -0.55 8.24 8.53 2z4gA1 VAL 33 HA -0.14 0.16 0.93 -0.75 4.13 4.32 2z4gA1 VAL 33 HB -0.32 0.00 0.00 -0.04 2.12 1.77 2z4gA1 VAL 33 HG13 -0.63 -0.03 -0.25 -0.04 0.97 0.02 2z4gA1 VAL 33 HG23 -0.14 -0.02 -0.20 -0.04 0.95 0.55 2z4gA1 VAL 34 H -0.14 0.70 0.30 -0.55 8.24 8.55 2z4gA1 VAL 34 HA -0.17 0.16 1.16 -0.75 4.13 4.53 2z4gA1 VAL 34 HB 0.10 -0.05 0.05 -0.04 2.12 2.17 2z4gA1 VAL 34 HG13 0.20 -0.02 -0.35 -0.04 0.97 0.76 2z4gA1 VAL 34 HG23 0.10 0.00 -0.19 -0.04 0.95 0.83 2z4gA1 PHE 35 H 0.04 0.69 0.15 -0.55 8.34 8.68 2z4gA1 PHE 35 HA -0.09 0.09 0.58 -0.75 4.62 4.44 2z4gA1 PHE 35 HB2 -0.11 0.09 0.25 -0.04 3.15 3.34 2z4gA1 PHE 35 HB3 -0.02 -0.05 0.04 -0.04 3.06 2.98 2z4gA1 PHE 35 HD2 -0.19 0.12 -0.10 -0.04 7.28 7.08 2z4gA1 PHE 35 HE2 -0.34 0.03 -0.07 -0.04 7.38 6.96 2z4gA1 PHE 35 HZ -0.05 0.09 -0.00 -0.04 7.32 7.31 2z4gA1 THR 36 H -0.08 0.48 0.13 -0.55 8.28 8.26 2z4gA1 THR 36 HA 0.00 0.20 0.14 -0.75 4.39 3.99 2z4gA1 THR 36 HB -0.28 -0.00 -0.33 -0.04 4.32 3.66 2z4gA1 THR 36 HG23 0.05 0.06 -0.34 -0.04 1.22 0.95 2z4gA1 ASP 37 H 0.11 0.18 -0.15 -0.55 8.40 7.99 2z4gA1 ASP 37 HA -0.13 0.03 0.41 -0.75 4.63 4.19 2z4gA1 ASP 37 HB2 0.10 -0.02 0.07 -0.04 2.71 2.82 2z4gA1 ASP 37 HB3 -0.41 0.13 -0.03 -0.04 2.70 2.34 2z4gA1 HIS 38 H 0.08 0.02 0.19 -0.55 8.41 8.15 2z4gA1 HIS 38 HA 0.07 0.21 0.58 -0.75 4.63 4.74 2z4gA1 HIS 38 HB2 0.03 -0.11 0.29 -0.04 3.26 3.43 2z4gA1 HIS 38 HB3 0.04 0.13 0.08 -0.04 3.20 3.40 2z4gA1 HIS 38 HD2 -0.09 -0.10 0.10 -0.04 6.97 6.83 2z4gA1 HIS 38 HE1 0.06 -0.06 -0.06 -0.04 7.75 7.65 2z4gA1 SER 39 H 0.03 0.51 0.33 -0.55 8.46 8.78 2z4gA1 SER 39 HA -0.11 0.05 0.40 -0.75 4.49 4.07 2z4gA1 SER 39 HB2 -0.06 0.02 0.09 -0.04 3.95 3.95 2z4gA1 SER 39 HB3 -0.10 -0.09 -0.06 -0.04 3.93 3.63 2z4gA1 PRO 40 HA 0.02 0.25 0.37 -0.51 4.44 4.57 2z4gA1 PRO 40 HB2 0.19 -0.02 -0.05 -0.04 2.28 2.37 2z4gA1 PRO 40 HB3 0.12 -0.12 -0.02 -0.04 2.02 1.96 2z4gA1 PRO 40 HG2 0.04 -0.00 0.03 -0.04 2.03 2.05 2z4gA1 PRO 40 HG3 0.01 0.11 -0.20 -0.04 2.03 1.91 2z4gA1 PRO 40 HD2 -0.02 0.07 0.14 -0.04 3.68 3.82 2z4gA1 PRO 40 HD3 -0.09 0.13 0.10 -0.04 3.65 3.75 2z4gA1 MET 41 H -0.10 0.28 0.16 -0.55 8.47 8.26 2z4gA1 MET 41 HA -0.37 0.06 0.46 -0.75 4.52 3.92 2z4gA1 MET 41 HB2 -0.19 0.16 -0.07 -0.04 2.15 2.00 2z4gA1 MET 41 HB3 -0.62 -0.06 0.07 -0.04 2.03 1.38 2z4gA1 MET 41 HG2 -0.10 0.23 -0.50 -0.04 2.63 2.21 2z4gA1 MET 41 HG3 -0.33 -0.07 -0.12 -0.04 2.56 2.01 2z4gA1 MET 41 HE3 -1.09 -0.01 -0.07 -0.04 2.10 0.90 2z4gA1 PRO 42 HA -0.72 0.09 0.49 -0.51 4.44 3.79 2z4gA1 PRO 42 HB2 -1.72 -0.06 0.06 -0.04 2.28 0.52 2z4gA1 PRO 42 HB3 -0.34 0.04 0.12 -0.04 2.02 1.81 2z4gA1 PRO 42 HG2 -0.45 0.04 0.09 -0.04 2.03 1.67 2z4gA1 PRO 42 HG3 -1.00 0.03 0.10 -0.04 2.03 1.12 2z4gA1 PRO 42 HD2 -0.96 0.11 0.18 -0.04 3.68 2.97 2z4gA1 PRO 42 HD3 -1.10 0.16 0.17 -0.04 3.65 2.85 2z4gA1 PRO 43 HA -0.16 0.15 0.34 -0.51 4.44 4.25 2z4gA1 PRO 43 HB2 0.05 0.01 0.04 -0.04 2.28 2.34 2z4gA1 PRO 43 HB3 -0.02 0.03 0.13 -0.04 2.02 2.12 2z4gA1 PRO 43 HG2 0.02 0.04 0.11 -0.04 2.03 2.16 2z4gA1 PRO 43 HG3 -0.05 0.04 0.17 -0.04 2.03 2.14 2z4gA1 PRO 43 HD2 -0.04 0.08 0.16 -0.04 3.68 3.84 2z4gA1 PRO 43 HD3 -0.19 0.11 0.29 -0.04 3.65 3.82 2z4gA1 TRP 44 H -0.58 0.04 -0.40 -0.55 7.97 6.48 2z4gA1 TRP 44 HA -0.05 0.13 0.50 -0.75 4.62 4.45 2z4gA1 TRP 44 HB2 -0.05 0.00 0.03 -0.04 3.23 3.17 2z4gA1 TRP 44 HB3 -0.04 -0.02 0.03 -0.04 3.23 3.16 2z4gA1 TRP 44 HD1 -0.05 -0.02 -0.03 -0.04 7.22 7.09 2z4gA1 TRP 44 HE1 -0.06 -0.00 -0.01 -0.04 10.20 10.08 2z4gA1 TRP 44 HE3 -0.05 -0.01 -0.33 -0.04 7.59 7.15 2z4gA1 TRP 44 HZ2 -0.04 -0.00 -0.04 -0.04 7.44 7.31 2z4gA1 TRP 44 HZ3 0.15 0.00 -0.10 -0.04 7.13 7.14 2z4gA1 TRP 44 HH2 0.12 0.04 -0.08 -0.04 7.19 7.24 2z4gA1 TYR 45 H -0.77 0.67 -0.27 -0.55 8.29 7.37 2z4gA1 TYR 45 HA -0.33 0.07 0.73 -0.75 4.56 4.27 2z4gA1 TYR 45 HB2 -1.57 -0.09 -0.02 -0.04 3.06 1.34 2z4gA1 TYR 45 HB3 -0.86 0.10 0.07 -0.04 2.98 2.25 2z4gA1 TYR 45 HD2 -0.49 0.03 -0.20 -0.04 7.15 6.45 2z4gA1 TYR 45 HE2 -0.70 0.01 -0.13 -0.04 6.85 5.98 2z4gA1 ASP 46 H -0.39 0.19 0.11 -0.55 8.40 7.76 2z4gA1 ASP 46 HA -0.11 -0.03 0.29 -0.75 4.63 4.03 2z4gA1 ASP 46 HB2 -0.48 -0.01 -0.04 -0.04 2.71 2.14 2z4gA1 ASP 46 HB3 -0.36 0.10 -0.34 -0.04 2.70 2.06 2z4gA1 PRO 47 HA -0.05 0.20 0.36 -0.51 4.44 4.44 2z4gA1 PRO 47 HB2 -0.02 -0.04 -0.03 -0.04 2.28 2.14 2z4gA1 PRO 47 HB3 -0.06 0.08 0.03 -0.04 2.02 2.03 2z4gA1 PRO 47 HG2 -0.02 -0.08 0.02 -0.04 2.03 1.91 2z4gA1 PRO 47 HG3 -0.02 0.14 0.02 -0.04 2.03 2.14 2z4gA1 PRO 47 HD2 -0.06 -0.02 -0.01 -0.04 3.68 3.55 2z4gA1 PRO 47 HD3 -0.10 0.16 -0.76 -0.04 3.65 2.91 2z4gA1 GLU 48 H -0.01 0.04 -0.24 -0.55 8.60 7.84 2z4gA1 GLU 48 HA 0.01 0.10 0.45 -0.75 4.29 4.10 2z4gA1 SER 49 H -0.02 0.25 -0.39 -0.55 8.46 7.75 2z4gA1 SER 49 HA 0.13 0.33 0.87 -0.75 4.49 5.07 2z4gA1 SER 49 HB2 -0.14 0.06 0.03 -0.04 3.95 3.86 2z4gA1 SER 49 HB3 -0.22 -0.05 0.14 -0.04 3.93 3.75 2z4gA1 ARG 50 H 0.02 0.38 -0.28 -0.55 8.46 8.03 2z4gA1 ARG 50 HA 0.07 -0.08 0.62 -0.75 4.34 4.19 2z4gA1 ARG 50 HB2 0.05 0.11 -0.25 -0.04 1.90 1.77 2z4gA1 ARG 50 HB3 0.04 -0.02 -0.38 -0.04 1.80 1.39 2z4gA1 ARG 50 HG2 -0.01 -0.04 -0.08 -0.04 1.67 1.50 2z4gA1 ARG 50 HG3 -0.01 0.12 -0.28 -0.04 1.67 1.46 2z4gA1 ARG 50 HD2 -0.03 -0.02 -0.16 -0.04 3.22 2.96 2z4gA1 ARG 50 HD3 0.00 0.23 -0.14 -0.04 3.22 3.27 2z4gA1 MET 51 H -0.01 0.09 -0.05 -0.55 8.47 7.95 2z4gA1 MET 51 HA -0.00 0.11 0.36 -0.75 4.52 4.23 2z4gA1 MET 51 HB2 -0.00 -0.08 0.00 -0.04 2.15 2.03 2z4gA1 MET 51 HB3 -0.05 -0.10 -0.02 -0.04 2.03 1.83 2z4gA1 MET 51 HG2 -0.08 0.13 -0.09 -0.04 2.63 2.56 2z4gA1 MET 51 HG3 -0.02 0.07 -0.42 -0.04 2.56 2.14 2z4gA1 MET 51 HE3 -0.75 0.03 -0.08 -0.04 2.10 1.25 2z4gA1 ARG 52 H 0.00 0.02 0.18 -0.55 8.46 8.11 2z4gA1 ARG 52 HA 0.00 0.21 0.52 -0.75 4.34 4.33 2z4gA1 ARG 52 HB2 0.01 -0.08 0.11 -0.04 1.90 1.91 2z4gA1 ARG 52 HB3 0.02 -0.17 0.10 -0.04 1.80 1.72 2z4gA1 ARG 52 HG2 -0.00 0.13 0.08 -0.04 1.67 1.84 2z4gA1 ARG 52 HG3 -0.00 0.05 0.08 -0.04 1.67 1.76 2z4gA1 ARG 52 HD2 0.01 -0.04 0.06 -0.04 3.22 3.21 2z4gA1 ARG 52 HD3 0.00 0.05 0.04 -0.04 3.22 3.27 2z4gA1 LEU 53 H 0.04 0.21 0.18 -0.55 8.37 8.26 2z4gA1 LEU 53 HA 0.08 0.15 0.43 -0.75 4.35 4.25 2z4gA1 LEU 53 HB2 0.21 0.08 0.10 -0.04 1.64 1.99 2z4gA1 LEU 53 HB3 0.10 -0.05 0.15 -0.04 1.64 1.80 2z4gA1 LEU 53 HG 0.07 -0.01 -0.25 -0.04 1.64 1.42 2z4gA1 LEU 53 HD13 0.06 0.02 0.02 -0.04 0.93 0.99 2z4gA1 LEU 53 HD23 0.17 0.00 -0.04 -0.04 0.89 0.98 2z4gA1 GLU 54 H 0.05 0.08 -0.12 -0.55 8.60 8.06 2z4gA1 GLU 54 HA 0.06 0.12 0.37 -0.75 4.29 4.09 2z4gA1 GLU 54 HB2 0.04 -0.04 0.03 -0.04 2.09 2.08 2z4gA1 GLU 54 HB3 0.06 0.04 0.01 -0.04 1.99 2.06 2z4gA1 GLU 54 HG2 0.05 -0.04 0.05 -0.04 2.34 2.35 2z4gA1 GLU 54 HG3 0.04 0.02 0.03 -0.04 2.34 2.39 2z4gA1 ALA 55 H 0.06 0.23 -0.64 -0.55 8.40 7.50 2z4gA1 ALA 55 HA 0.18 0.10 0.65 -0.75 4.34 4.52 2z4gA1 ALA 55 HB3 0.04 0.03 0.07 -0.04 1.41 1.51 2z4gA1 LEU 56 H 0.08 0.49 -0.20 -0.55 8.37 8.19 2z4gA1 LEU 56 HA 0.09 -0.02 0.38 -0.75 4.35 4.04 2z4gA1 LEU 56 HB2 0.06 0.04 0.15 -0.04 1.64 1.84 2z4gA1 LEU 56 HB3 0.07 0.13 0.12 -0.04 1.64 1.91 2z4gA1 LEU 56 HG 0.08 -0.07 -0.20 -0.04 1.64 1.40 2z4gA1 LEU 56 HD13 0.17 -0.02 0.00 -0.04 0.93 1.05 2z4gA1 LEU 56 HD23 0.13 0.02 -0.03 -0.04 0.89 0.97 2z4gA1 PRO 57 HA -0.06 0.06 0.40 -0.51 4.44 4.32 2z4gA1 PRO 57 HB2 -0.09 0.02 0.03 -0.04 2.28 2.20 2z4gA1 PRO 57 HB3 -0.12 0.02 0.07 -0.04 2.02 1.95 2z4gA1 PRO 57 HG2 0.03 0.08 0.05 -0.04 2.03 2.15 2z4gA1 PRO 57 HG3 0.01 0.05 0.02 -0.04 2.03 2.07 2z4gA1 PRO 57 HD2 0.13 0.24 -0.30 -0.04 3.68 3.71 2z4gA1 PRO 57 HD3 0.07 0.17 -0.02 -0.04 3.65 3.82 2z4gA1 PHE 58 H 0.27 0.39 -0.27 -0.55 8.34 8.17 2z4gA1 PHE 58 HA -0.02 0.02 0.46 -0.75 4.62 4.32 2z4gA1 PHE 58 HB2 0.01 0.18 0.14 -0.04 3.15 3.44 2z4gA1 PHE 58 HB3 -0.01 -0.04 0.01 -0.04 3.06 2.99 2z4gA1 PHE 58 HD2 -0.01 0.02 0.05 -0.04 7.28 7.30 2z4gA1 PHE 58 HE2 -0.00 0.02 0.00 -0.04 7.38 7.36 2z4gA1 PHE 58 HZ -0.00 0.00 -0.00 -0.04 7.32 7.28 2z4gA1 TYR 59 H 0.22 0.37 -0.14 -0.55 8.29 8.19 2z4gA1 TYR 59 HA -0.05 -0.03 0.45 -0.75 4.56 4.18 2z4gA1 TYR 59 HB2 0.00 -0.05 0.08 -0.04 3.06 3.05 2z4gA1 TYR 59 HB3 -0.01 0.19 0.20 -0.04 2.98 3.31 2z4gA1 TYR 59 HD2 -0.03 -0.02 -0.05 -0.04 7.15 7.00 2z4gA1 TYR 59 HE2 0.03 0.03 -0.05 -0.04 6.85 6.82 2z4gA1 LEU 60 H 0.04 0.64 -0.03 -0.55 8.37 8.48 2z4gA1 LEU 60 HA -0.35 0.03 0.39 -0.75 4.35 3.66 2z4gA1 LEU 60 HB2 -0.17 0.03 0.15 -0.04 1.64 1.61 2z4gA1 LEU 60 HB3 -0.44 -0.00 -0.01 -0.04 1.64 1.14 2z4gA1 LEU 60 HG -0.01 0.11 -0.00 -0.04 1.64 1.70 2z4gA1 LEU 60 HD13 -0.40 0.00 -0.10 -0.04 0.93 0.38 2z4gA1 LEU 60 HD23 -0.51 -0.01 -0.09 -0.04 0.89 0.24 2z4gA1 LEU 61 H -0.15 0.87 0.11 -0.55 8.37 8.65 2z4gA1 LEU 61 HA -0.11 0.02 0.41 -0.75 4.35 3.92 2z4gA1 LEU 61 HB2 -0.23 0.03 0.15 -0.04 1.64 1.55 2z4gA1 LEU 61 HB3 -0.15 -0.05 -0.02 -0.04 1.64 1.38 2z4gA1 LEU 61 HG -0.16 0.06 0.10 -0.04 1.64 1.60 2z4gA1 LEU 61 HD13 -0.33 -0.02 -0.05 -0.04 0.93 0.49 2z4gA1 LEU 61 HD23 -0.09 -0.01 0.03 -0.04 0.89 0.77 2z4gA1 ALA 62 H -0.11 0.53 -0.15 -0.55 8.40 8.12 2z4gA1 ALA 62 HA -0.08 -0.02 0.46 -0.75 4.34 3.94 2z4gA1 ALA 62 HB3 -0.09 0.00 0.14 -0.04 1.41 1.42 2z4gA1 LEU 63 H -0.27 0.59 -0.19 -0.55 8.37 7.95 2z4gA1 LEU 63 HA -0.27 -0.04 0.47 -0.75 4.35 3.75 2z4gA1 LEU 63 HB2 -0.39 0.17 0.13 -0.04 1.64 1.51 2z4gA1 LEU 63 HB3 -0.27 -0.03 0.03 -0.04 1.64 1.32 2z4gA1 LEU 63 HG -0.68 0.16 0.11 -0.04 1.64 1.19 2z4gA1 LEU 63 HD13 -0.82 -0.01 0.01 -0.04 0.93 0.07 2z4gA1 LEU 63 HD23 -0.94 -0.04 -0.02 -0.04 0.89 -0.15 2z4gA1 GLU 64 H -0.12 0.48 -0.18 -0.55 8.60 8.23 2z4gA1 GLU 64 HA -0.02 0.07 0.55 -0.75 4.29 4.13 2z4gA1 GLU 64 HB2 -0.05 0.12 0.20 -0.04 2.09 2.32 2z4gA1 GLU 64 HB3 -0.01 -0.05 0.01 -0.04 1.99 1.90 2z4gA1 GLU 64 HG2 0.06 -0.02 0.05 -0.04 2.34 2.39 2z4gA1 GLU 64 HG3 0.01 0.05 0.03 -0.04 2.34 2.39 2z4gA1 ARG 65 H -0.06 0.46 -0.15 -0.55 8.46 8.16 2z4gA1 ARG 65 HA -0.02 0.02 0.41 -0.75 4.34 3.99 2z4gA1 ARG 65 HB2 -0.03 0.00 0.12 -0.04 1.90 1.95 2z4gA1 ARG 65 HB3 -0.04 0.16 0.24 -0.04 1.80 2.12 2z4gA1 ARG 65 HG2 -0.00 -0.04 -0.03 -0.04 1.67 1.56 2z4gA1 ARG 65 HG3 -0.00 -0.03 -0.16 -0.04 1.67 1.44 2z4gA1 ARG 65 HD2 -0.01 0.00 0.02 -0.04 3.22 3.20 2z4gA1 ARG 65 HD3 -0.01 -0.01 0.01 -0.04 3.22 3.17 2z4gA1 VAL 66 H -0.06 0.58 -0.03 -0.55 8.24 8.18 2z4gA1 VAL 66 HA 0.01 -0.03 0.34 -0.75 4.13 3.71 2z4gA1 VAL 66 HB -0.10 0.11 0.12 -0.04 2.12 2.21 2z4gA1 VAL 66 HG13 0.05 -0.01 -0.23 -0.04 0.97 0.73 2z4gA1 VAL 66 HG23 -0.06 0.04 0.02 -0.04 0.95 0.91 2z4gA1 ARG 67 H -0.03 0.56 -0.30 -0.55 8.46 8.14 2z4gA1 ARG 67 HA 0.01 -0.00 0.36 -0.75 4.34 3.95 2z4gA1 ARG 67 HB2 -0.01 0.08 0.17 -0.04 1.90 2.10 2z4gA1 ARG 67 HB3 0.00 0.11 0.21 -0.04 1.80 2.08 2z4gA1 ARG 67 HG2 0.03 -0.02 -0.13 -0.04 1.67 1.51 2z4gA1 ARG 67 HG3 0.02 -0.07 0.14 -0.04 1.67 1.71 2z4gA1 ARG 67 HD2 0.07 -0.05 0.08 -0.04 3.22 3.28 2z4gA1 ARG 67 HD3 0.03 0.09 0.10 -0.04 3.22 3.40 2z4gA1 GLU 68 H 0.00 0.51 -0.13 -0.55 8.60 8.43 2z4gA1 GLU 68 HA 0.01 0.03 0.41 -0.75 4.29 3.99 2z4gA1 GLU 68 HB2 0.01 -0.08 0.08 -0.04 2.09 2.06 2z4gA1 GLU 68 HB3 0.00 -0.01 0.12 -0.04 1.99 2.06 2z4gA1 GLU 68 HG2 -0.00 0.13 0.28 -0.04 2.34 2.70 2z4gA1 GLU 68 HG3 0.00 0.02 0.03 -0.04 2.34 2.34 2z4gA1 ARG 69 H 0.01 0.44 -0.32 -0.55 8.46 8.04 2z4gA1 ARG 69 HA 0.01 0.03 0.52 -0.75 4.34 4.14 2z4gA1 ARG 69 HB2 0.02 0.10 0.14 -0.04 1.90 2.11 2z4gA1 ARG 69 HB3 0.01 -0.09 0.13 -0.04 1.80 1.81 2z4gA1 ARG 69 HG2 0.01 -0.07 0.05 -0.04 1.67 1.62 2z4gA1 ARG 69 HG3 0.01 -0.01 -0.01 -0.04 1.67 1.62 2z4gA1 ARG 69 HD2 0.01 -0.05 -0.02 -0.04 3.22 3.11 2z4gA1 ARG 69 HD3 0.01 0.21 -0.10 -0.04 3.22 3.30 2z4gA1 ALA 70 H 0.02 0.52 -0.62 -0.55 8.40 7.77 2z4gA1 ALA 70 HA 0.02 0.10 0.92 -0.75 4.34 4.62 2z4gA1 ALA 70 HB3 0.03 -0.01 0.03 -0.04 1.41 1.41 2z4gA1 GLN 71 H 0.02 0.18 -0.10 -0.55 8.47 8.02 2z4gA1 GLN 71 HA 0.03 0.15 0.43 -0.75 4.36 4.21 2z4gA1 GLN 71 HB2 0.01 -0.06 0.08 -0.04 2.15 2.14 2z4gA1 GLN 71 HB3 0.02 -0.01 0.01 -0.04 2.02 1.99 2z4gA1 GLN 71 HG2 0.02 0.03 0.11 -0.04 2.40 2.52 2z4gA1 GLN 71 HG3 0.01 0.15 0.12 -0.04 2.39 2.63 2z4gA1 GLN 71 HE21 0.01 -0.05 0.02 -0.04 6.97 6.91 2z4gA1 GLN 71 HE22 0.01 0.02 0.05 -0.04 7.69 7.73 2z4gA1 ASP 72 H 0.01 0.00 -0.44 -0.55 8.40 7.43 2z4gA1 ASP 72 HA 0.01 0.10 0.58 -0.75 4.63 4.57 2z4gA1 ASP 72 HB2 0.00 0.02 0.07 -0.04 2.71 2.76 2z4gA1 ASP 72 HB3 0.01 -0.06 0.03 -0.04 2.70 2.63 2z4gA1 LEU 73 H 0.02 0.54 -0.18 -0.55 8.37 8.20 2z4gA1 LEU 73 HA 0.02 0.30 0.97 -0.75 4.35 4.88 2z4gA1 LEU 73 HB2 0.01 0.00 -0.08 -0.04 1.64 1.53 2z4gA1 LEU 73 HB3 -0.01 -0.01 -0.14 -0.04 1.64 1.44 2z4gA1 LEU 73 HG 0.01 -0.15 -0.32 -0.04 1.64 1.14 2z4gA1 LEU 73 HD13 0.00 -0.03 -0.12 -0.04 0.93 0.75 2z4gA1 LEU 73 HD23 -0.01 0.03 -0.20 -0.04 0.89 0.66 2z4gA1 TYR 74 H 0.10 0.66 0.37 -0.55 8.29 8.87 2z4gA1 TYR 74 HA 0.01 0.12 0.73 -0.75 4.56 4.66 2z4gA1 TYR 74 HB2 -0.00 0.04 0.08 -0.04 3.06 3.13 2z4gA1 TYR 74 HB3 -0.10 0.01 0.19 -0.04 2.98 3.04 2z4gA1 TYR 74 HD2 -0.06 -0.01 -0.10 -0.04 7.15 6.93 2z4gA1 TYR 74 HE2 0.10 -0.01 -0.12 -0.04 6.85 6.79 2z4gA1 VAL 75 H -0.09 0.25 0.12 -0.55 8.24 7.97 2z4gA1 VAL 75 HA -0.28 0.17 1.00 -0.75 4.13 4.26 2z4gA1 VAL 75 HB -0.03 0.00 0.18 -0.04 2.12 2.23 2z4gA1 VAL 75 HG13 0.10 -0.03 -0.14 -0.04 0.97 0.87 2z4gA1 VAL 75 HG23 0.01 0.03 -0.18 -0.04 0.95 0.78 2z4gA1 GLY 76 H -0.55 0.74 0.39 -0.55 8.43 8.46 2z4gA1 GLY 76 HA2 -0.18 0.13 0.76 -0.51 4.01 4.21 2z4gA1 GLY 76 HA3 -0.21 0.02 0.35 -0.51 4.01 3.65 2z4gA1 ILE 77 H 0.15 0.19 0.18 -0.55 8.25 8.22 2z4gA1 ILE 77 HA 0.12 0.14 0.96 -0.75 4.18 4.65 2z4gA1 ILE 77 HB 0.19 -0.00 0.23 -0.04 1.89 2.27 2z4gA1 ILE 77 HG12 -0.06 -0.00 -0.13 -0.04 1.49 1.25 2z4gA1 ILE 77 HG13 0.03 0.04 -0.33 -0.04 1.21 0.91 2z4gA1 ILE 77 HG23 -0.06 0.00 -0.05 -0.04 0.93 0.78 2z4gA1 ILE 77 HD13 -0.01 0.03 -0.16 -0.04 0.88 0.70 2z4gA1 GLY 78 H 0.25 0.77 0.21 -0.55 8.43 9.12 2z4gA1 GLY 78 HA2 0.39 0.05 0.93 -0.51 4.01 4.88 2z4gA1 GLY 78 HA3 0.22 0.03 0.42 -0.51 4.01 4.17 2z4gA1 LEU 79 H -0.12 0.49 0.40 -0.55 8.37 8.59 2z4gA1 LEU 79 HA -0.13 0.12 0.63 -0.75 4.35 4.22 2z4gA1 LEU 79 HB2 -0.44 -0.04 -0.02 -0.04 1.64 1.10 2z4gA1 LEU 79 HB3 -0.27 0.02 -0.18 -0.04 1.64 1.17 2z4gA1 LEU 79 HG -0.73 -0.01 -0.42 -0.04 1.64 0.44 2z4gA1 LEU 79 HD13 -0.63 -0.01 -0.10 -0.04 0.93 0.15 2z4gA1 LEU 79 HD23 -0.23 0.02 -0.05 -0.04 0.89 0.59 2z4gA1 GLU 80 H -0.18 0.79 -0.16 -0.55 8.60 8.50 2z4gA1 GLU 80 HA -0.27 0.05 0.84 -0.75 4.29 4.16 2z4gA1 GLU 80 HB2 -0.27 0.14 -0.03 -0.04 2.09 1.89 2z4gA1 GLU 80 HB3 -0.09 -0.07 -0.02 -0.04 1.99 1.77 2z4gA1 GLU 80 HG2 0.03 0.07 -0.30 -0.04 2.34 2.10 2z4gA1 GLU 80 HG3 -0.22 -0.06 -0.08 -0.04 2.34 1.94 2z4gA1 ALA 81 H -0.17 0.83 0.18 -0.55 8.40 8.69 2z4gA1 ALA 81 HA 0.00 0.07 0.83 -0.75 4.34 4.49 2z4gA1 ALA 81 HB3 0.08 0.03 -0.00 -0.04 1.41 1.48 2z4gA1 ASP 82 H 0.02 0.20 0.14 -0.55 8.40 8.21 2z4gA1 ASP 82 HA 0.07 0.24 0.80 -0.75 4.63 5.00 2z4gA1 ASP 82 HB2 -0.24 0.00 0.03 -0.04 2.71 2.47 2z4gA1 ASP 82 HB3 0.05 -0.01 -0.10 -0.04 2.70 2.60 2z4gA1 PHE 83 H 0.15 0.77 0.29 -0.55 8.34 9.00 2z4gA1 PHE 83 HA 0.20 0.12 0.77 -0.75 4.62 4.96 2z4gA1 PHE 83 HB2 0.19 0.01 -0.06 -0.04 3.15 3.25 2z4gA1 PHE 83 HB3 0.02 -0.01 -0.03 -0.04 3.06 3.00 2z4gA1 PHE 83 HD2 0.13 0.02 -0.09 -0.04 7.28 7.30 2z4gA1 PHE 83 HE2 0.03 0.00 -0.07 -0.04 7.38 7.30 2z4gA1 PHE 83 HZ 0.03 -0.01 -0.16 -0.04 7.32 7.13 2z4gA1 HIS 84 H -0.51 0.21 -0.01 -0.55 8.41 7.55 2z4gA1 HIS 84 HA -0.34 0.16 0.68 -0.75 4.63 4.37 2z4gA1 HIS 84 HB2 -0.24 0.01 -0.35 -0.04 3.26 2.64 2z4gA1 HIS 84 HB3 -0.27 -0.06 -0.00 -0.04 3.20 2.83 2z4gA1 HIS 84 HD2 0.39 -0.04 -0.09 -0.04 6.97 7.19 2z4gA1 HIS 84 HE1 0.15 0.07 -0.00 -0.04 7.75 7.92 2z4gA1 PRO 85 HA -0.22 -0.04 0.46 -0.51 4.44 4.13 2z4gA1 PRO 85 HB2 -0.20 0.03 0.08 -0.04 2.28 2.15 2z4gA1 PRO 85 HB3 -0.08 0.04 0.10 -0.04 2.02 2.05 2z4gA1 PRO 85 HG2 -0.06 0.06 0.08 -0.04 2.03 2.07 2z4gA1 PRO 85 HG3 -0.07 0.06 0.06 -0.04 2.03 2.04 2z4gA1 PRO 85 HD2 -0.45 0.11 0.18 -0.04 3.68 3.48 2z4gA1 PRO 85 HD3 -0.47 0.18 0.11 -0.04 3.65 3.43 2z4gA1 GLY 86 H -0.04 0.10 0.21 -0.55 8.43 8.15 2z4gA1 GLY 86 HA2 0.01 0.02 0.40 -0.51 4.01 3.93 2z4gA1 GLY 86 HA3 0.01 0.20 0.61 -0.51 4.01 4.32 2z4gA1 THR 87 H -0.03 0.55 -0.15 -0.55 8.28 8.10 2z4gA1 THR 87 HA 0.11 0.16 0.88 -0.75 4.39 4.78 2z4gA1 THR 87 HB -0.09 -0.05 0.18 -0.04 4.32 4.31 2z4gA1 THR 87 HG23 0.09 0.04 -0.10 -0.04 1.22 1.21 2z4gA1 GLU 88 H 0.03 0.06 -0.07 -0.55 8.60 8.07 2z4gA1 GLU 88 HA 0.04 0.13 0.40 -0.75 4.29 4.10 2z4gA1 GLU 88 HB2 0.04 -0.03 0.07 -0.04 2.09 2.14 2z4gA1 GLU 88 HB3 0.02 0.14 0.04 -0.04 1.99 2.15 2z4gA1 GLU 88 HG2 0.19 0.14 0.02 -0.04 2.34 2.65 2z4gA1 GLU 88 HG3 0.15 0.00 -0.00 -0.04 2.34 2.45 2z4gA1 GLY 89 H 0.06 0.11 -0.21 -0.55 8.43 7.84 2z4gA1 GLY 89 HA2 0.01 0.13 0.37 -0.51 4.01 4.01 2z4gA1 GLY 89 HA3 0.05 0.07 0.27 -0.51 4.01 3.88 2z4gA1 PHE 90 H 0.18 0.10 -0.19 -0.55 8.34 7.88 2z4gA1 PHE 90 HA -0.00 0.02 0.33 -0.75 4.62 4.21 2z4gA1 PHE 90 HB2 -0.01 -0.05 0.12 -0.04 3.15 3.18 2z4gA1 PHE 90 HB3 -0.05 0.21 0.17 -0.04 3.06 3.34 2z4gA1 PHE 90 HD2 -0.06 0.03 -0.10 -0.04 7.28 7.11 2z4gA1 PHE 90 HE2 -0.06 0.11 -0.30 -0.04 7.38 7.08 2z4gA1 PHE 90 HZ -0.06 -0.03 -0.24 -0.04 7.32 6.95 2z4gA1 LEU 91 H 0.11 0.35 -0.21 -0.55 8.37 8.08 2z4gA1 LEU 91 HA -0.08 0.04 0.45 -0.75 4.35 4.00 2z4gA1 LEU 91 HB2 0.01 0.04 0.11 -0.04 1.64 1.76 2z4gA1 LEU 91 HB3 -0.02 0.02 -0.03 -0.04 1.64 1.57 2z4gA1 LEU 91 HG 0.13 0.02 0.04 -0.04 1.64 1.79 2z4gA1 LEU 91 HD13 0.16 0.04 -0.03 -0.04 0.93 1.06 2z4gA1 LEU 91 HD23 0.11 -0.01 -0.01 -0.04 0.89 0.94 2z4gA1 ALA 92 H -0.04 0.62 -0.04 -0.55 8.40 8.40 2z4gA1 ALA 92 HA -0.07 0.06 0.38 -0.75 4.34 3.96 2z4gA1 ALA 92 HB3 -0.04 0.01 0.10 -0.04 1.41 1.44 2z4gA1 GLN 93 H -0.10 0.55 -0.18 -0.55 8.47 8.19 2z4gA1 GLN 93 HA -0.05 0.06 0.43 -0.75 4.36 4.05 2z4gA1 GLN 93 HB2 -0.05 -0.05 0.05 -0.04 2.15 2.05 2z4gA1 GLN 93 HB3 -0.13 0.12 0.13 -0.04 2.02 2.10 2z4gA1 GLN 93 HG2 -0.17 0.04 -0.22 -0.04 2.40 2.00 2z4gA1 GLN 93 HG3 -0.07 -0.01 -0.08 -0.04 2.39 2.19 2z4gA1 GLN 93 HE21 -0.02 -0.05 -0.03 -0.04 6.97 6.83 2z4gA1 GLN 93 HE22 -0.09 0.01 -0.05 -0.04 7.69 7.52 2z4gA1 LEU 94 H -0.24 0.45 -0.12 -0.55 8.37 7.91 2z4gA1 LEU 94 HA -0.11 -0.03 0.39 -0.75 4.35 3.85 2z4gA1 LEU 94 HB2 -0.47 0.17 0.18 -0.04 1.64 1.47 2z4gA1 LEU 94 HB3 -0.13 0.09 0.20 -0.04 1.64 1.75 2z4gA1 LEU 94 HG -0.17 -0.08 -0.01 -0.04 1.64 1.34 2z4gA1 LEU 94 HD13 -0.03 -0.00 -0.04 -0.04 0.93 0.82 2z4gA1 LEU 94 HD23 0.08 -0.01 -0.11 -0.04 0.89 0.81 2z4gA1 LEU 95 H -0.02 0.72 -0.03 -0.55 8.37 8.50 2z4gA1 LEU 95 HA 0.38 -0.02 0.44 -0.75 4.35 4.39 2z4gA1 LEU 95 HB2 0.00 0.10 0.07 -0.04 1.64 1.77 2z4gA1 LEU 95 HB3 0.08 -0.01 0.07 -0.04 1.64 1.74 2z4gA1 LEU 95 HG -0.05 0.18 0.09 -0.04 1.64 1.81 2z4gA1 LEU 95 HD13 -0.09 -0.03 -0.02 -0.04 0.93 0.75 2z4gA1 LEU 95 HD23 -0.17 -0.05 -0.05 -0.04 0.89 0.58 2z4gA1 ARG 96 H 0.03 0.30 -0.44 -0.55 8.46 7.80 2z4gA1 ARG 96 HA 0.04 0.07 0.54 -0.75 4.34 4.24 2z4gA1 ARG 96 HB2 -0.00 0.09 0.12 -0.04 1.90 2.07 2z4gA1 ARG 96 HB3 0.00 -0.10 0.07 -0.04 1.80 1.73 2z4gA1 ARG 96 HG2 0.00 -0.03 0.02 -0.04 1.67 1.62 2z4gA1 ARG 96 HG3 -0.01 0.43 0.09 -0.04 1.67 2.14 2z4gA1 ARG 96 HD2 -0.00 -0.05 -0.00 -0.04 3.22 3.12 2z4gA1 ARG 96 HD3 -0.01 -0.05 -0.05 -0.04 3.22 3.07 2z4gA1 ARG 97 H 0.08 0.38 -0.42 -0.55 8.46 7.96 2z4gA1 ARG 97 HA 0.02 0.01 0.38 -0.75 4.34 3.99 2z4gA1 TYR 98 H 0.08 0.35 -0.20 -0.55 8.29 7.98 2z4gA1 TYR 98 HA -0.19 0.19 0.85 -0.75 4.56 4.66 2z4gA1 TYR 98 HB2 -0.37 -0.04 -0.24 -0.04 3.06 2.37 2z4gA1 TYR 98 HB3 -1.53 -0.06 -0.10 -0.04 2.98 1.25 2z4gA1 TYR 98 HD2 -0.53 -0.00 -0.22 -0.04 7.15 6.35 2z4gA1 TYR 98 HE2 -0.12 -0.03 -0.05 -0.04 6.85 6.61 2z4gA1 PRO 99 HA -0.04 0.24 0.69 -0.51 4.44 4.82 2z4gA1 PRO 99 HB2 -0.12 0.01 0.15 -0.04 2.28 2.28 2z4gA1 PRO 99 HB3 -0.16 0.04 0.06 -0.04 2.02 1.92 2z4gA1 PRO 99 HG2 -0.61 -0.02 0.11 -0.04 2.03 1.47 2z4gA1 PRO 99 HG3 -0.39 0.01 0.08 -0.04 2.03 1.69 2z4gA1 PRO 99 HD2 -1.95 0.04 0.14 -0.04 3.68 1.87 2z4gA1 PRO 99 HD3 -0.49 0.16 0.09 -0.04 3.65 3.37 2z4gA1 PHE 100 H 0.13 0.42 -0.13 -0.55 8.34 8.21 2z4gA1 PHE 100 HA 0.32 0.14 0.49 -0.75 4.62 4.81 2z4gA1 PHE 100 HB2 0.17 0.01 -0.04 -0.04 3.15 3.25 2z4gA1 PHE 100 HB3 0.19 -0.07 0.06 -0.04 3.06 3.19 2z4gA1 PHE 100 HD2 0.15 0.11 -0.07 -0.04 7.28 7.42 2z4gA1 PHE 100 HE2 0.08 0.02 -0.09 -0.04 7.38 7.35 2z4gA1 PHE 100 HZ 0.03 -0.04 -0.10 -0.04 7.32 7.17 2z4gA1 ASP 101 H 0.35 0.57 0.28 -0.55 8.40 9.06 2z4gA1 ASP 101 HA 0.24 -0.02 0.42 -0.75 4.63 4.52 2z4gA1 ASP 101 HB2 0.30 -0.06 0.01 -0.04 2.71 2.92 2z4gA1 ASP 101 HB3 0.35 0.13 -0.08 -0.04 2.70 3.07 2z4gA1 TYR 102 H 0.37 0.22 -0.11 -0.55 8.29 8.22 2z4gA1 TYR 102 HA 0.02 0.16 0.60 -0.75 4.56 4.58 2z4gA1 TYR 102 HB2 0.18 0.06 -0.34 -0.04 3.06 2.92 2z4gA1 TYR 102 HB3 0.10 -0.06 -0.08 -0.04 2.98 2.90 2z4gA1 TYR 102 HD2 -0.36 0.04 -0.08 -0.04 7.15 6.70 2z4gA1 TYR 102 HE2 -0.30 0.09 -0.16 -0.04 6.85 6.44 2z4gA1 VAL 103 H 0.37 0.22 0.08 -0.55 8.24 8.36 2z4gA1 VAL 103 HA -0.21 0.17 1.03 -0.75 4.13 4.37 2z4gA1 VAL 103 HB -0.20 -0.04 0.18 -0.04 2.12 2.02 2z4gA1 VAL 103 HG13 0.01 0.02 -0.16 -0.04 0.97 0.80 2z4gA1 VAL 103 HG23 -0.00 0.02 -0.17 -0.04 0.95 0.75 2z4gA1 ILE 104 H -0.43 0.85 0.38 -0.55 8.25 8.50 2z4gA1 ILE 104 HA -0.47 0.13 0.81 -0.75 4.18 3.89 2z4gA1 ILE 104 HB -0.42 -0.06 0.17 -0.04 1.89 1.54 2z4gA1 ILE 104 HG12 -0.82 0.00 -0.16 -0.04 1.49 0.47 2z4gA1 ILE 104 HG13 -0.79 0.06 -0.08 -0.04 1.21 0.36 2z4gA1 ILE 104 HG23 -0.34 -0.01 -0.24 -0.04 0.93 0.30 2z4gA1 ILE 104 HD13 -0.48 0.01 -0.08 -0.04 0.88 0.30 2z4gA1 GLY 105 H -0.55 0.66 0.33 -0.55 8.43 8.32 2z4gA1 GLY 105 HA2 -1.36 0.30 0.87 -0.51 4.01 3.31 2z4gA1 GLY 105 HA3 -2.82 0.01 0.27 -0.51 4.01 0.96 2z4gA1 SER 106 H -0.33 0.79 0.30 -0.55 8.46 8.68 2z4gA1 SER 106 HA -0.26 0.16 0.94 -0.75 4.49 4.57 2z4gA1 SER 106 HB2 -0.09 0.02 -0.17 -0.04 3.95 3.68 2z4gA1 SER 106 HB3 -0.36 0.08 -0.14 -0.04 3.93 3.47 2z4gA1 VAL 107 H -0.06 0.27 0.11 -0.55 8.24 8.02 2z4gA1 VAL 107 HA 0.09 0.20 0.89 -0.75 4.13 4.56 2z4gA1 VAL 107 HB -0.37 0.02 0.15 -0.04 2.12 1.87 2z4gA1 VAL 107 HG13 0.00 0.01 0.03 -0.04 0.97 0.97 2z4gA1 VAL 107 HG23 0.02 0.01 -0.16 -0.04 0.95 0.78 2z4gA1 HIS 108 H 0.28 0.16 0.12 -0.55 8.41 8.42 2z4gA1 HIS 108 HA 0.08 0.23 0.83 -0.75 4.63 5.01 2z4gA1 HIS 108 HB2 0.29 0.04 -0.06 -0.04 3.26 3.48 2z4gA1 HIS 108 HB3 0.02 -0.06 0.05 -0.04 3.20 3.16 2z4gA1 HIS 108 HD2 -0.02 -0.02 -0.07 -0.04 6.97 6.82 2z4gA1 HIS 108 HE1 0.27 0.03 -0.24 -0.04 7.75 7.76 2z4gA1 TYR 109 H 0.30 0.12 0.13 -0.55 8.29 8.29 2z4gA1 TYR 109 HA -0.12 0.33 0.96 -0.75 4.56 4.98 2z4gA1 TYR 109 HB2 0.04 -0.06 -0.00 -0.04 3.06 2.99 2z4gA1 TYR 109 HB3 0.05 0.22 -0.26 -0.04 2.98 2.95 2z4gA1 TYR 109 HD2 -0.04 -0.08 -0.41 -0.04 7.15 6.57 2z4gA1 TYR 109 HE2 -0.22 0.07 -0.11 -0.04 6.85 6.54 2z4gA1 LEU 110 H -0.02 0.57 0.08 -0.55 8.37 8.45 2z4gA1 LEU 110 HA 0.14 0.14 0.69 -0.75 4.35 4.56 2z4gA1 LEU 110 HB2 0.19 -0.02 0.17 -0.04 1.64 1.94 2z4gA1 LEU 110 HB3 0.19 -0.01 0.04 -0.04 1.64 1.82 2z4gA1 LEU 110 HG -0.07 -0.02 -0.24 -0.04 1.64 1.26 2z4gA1 LEU 110 HD13 0.06 0.01 -0.01 -0.04 0.93 0.95 2z4gA1 LEU 110 HD23 0.12 0.04 -0.01 -0.04 0.89 0.99 2z4gA1 GLY 111 H 0.20 0.18 -0.02 -0.55 8.43 8.25 2z4gA1 GLY 111 HA2 0.17 0.07 0.32 -0.51 4.01 4.05 2z4gA1 GLY 111 HA3 0.15 0.03 0.50 -0.51 4.01 4.18 2z4gA1 ALA 112 H 0.16 0.14 0.20 -0.55 8.40 8.35 2z4gA1 ALA 112 HA 0.30 0.18 0.66 -0.75 4.34 4.73 2z4gA1 ALA 112 HB3 0.09 0.00 0.08 -0.04 1.41 1.55 2z4gA1 TRP 113 H 0.27 0.43 -0.17 -0.55 7.97 7.95 2z4gA1 TRP 113 HA -0.21 0.24 0.78 -0.75 4.62 4.67 2z4gA1 TRP 113 HB2 -0.12 -0.02 0.05 -0.04 3.23 3.09 2z4gA1 TRP 113 HB3 -0.10 0.09 0.20 -0.04 3.23 3.38 2z4gA1 TRP 113 HD1 -0.23 0.06 -0.07 -0.04 7.22 6.93 2z4gA1 TRP 113 HE1 -0.05 0.14 -0.13 -0.04 10.20 10.12 2z4gA1 TRP 113 HE3 -0.14 -0.00 -0.02 -0.04 7.59 7.40 2z4gA1 TRP 113 HZ2 -0.67 0.05 -0.05 -0.04 7.44 6.73 2z4gA1 TRP 113 HZ3 -0.29 -0.04 -0.07 -0.04 7.13 6.69 2z4gA1 TRP 113 HH2 -1.74 0.00 -0.08 -0.04 7.19 5.34 2z4gA1 PRO 114 HA -1.17 0.33 0.67 -0.51 4.44 3.76 2z4gA1 PRO 114 HB2 -0.23 -0.06 0.14 -0.04 2.28 2.09 2z4gA1 PRO 114 HB3 -0.92 0.05 0.06 -0.04 2.02 1.17 2z4gA1 PRO 114 HG2 -0.12 -0.04 0.16 -0.04 2.03 1.98 2z4gA1 PRO 114 HG3 -0.21 0.05 0.10 -0.04 2.03 1.93 2z4gA1 PRO 114 HD2 0.02 0.04 0.22 -0.04 3.68 3.92 2z4gA1 PRO 114 HD3 -0.19 0.45 0.27 -0.04 3.65 4.14 2z4gA1 LEU 115 H -0.85 0.39 0.13 -0.55 8.37 7.49 2z4gA1 LEU 115 HA -1.53 0.09 0.15 -0.75 4.35 2.30 2z4gA1 LEU 115 HB2 -1.80 -0.02 0.03 -0.04 1.64 -0.18 2z4gA1 LEU 115 HB3 -1.69 0.02 -0.03 -0.04 1.64 -0.11 2z4gA1 LEU 115 HG -0.45 0.01 -0.36 -0.04 1.64 0.79 2z4gA1 LEU 115 HD13 -0.47 -0.01 -0.13 -0.04 0.93 0.28 2z4gA1 LEU 115 HD23 -0.26 0.03 -0.34 -0.04 0.89 0.28 2z4gA1 ASP 116 H -0.23 0.14 -0.45 -0.55 8.40 7.32 2z4gA1 ASP 116 HA 0.04 0.20 0.76 -0.75 4.63 4.88 2z4gA1 ASP 116 HB2 -0.20 -0.01 0.11 -0.04 2.71 2.57 2z4gA1 ASP 116 HB3 -0.22 0.01 -0.08 -0.04 2.70 2.36 2z4gA1 HIS 117 H 0.12 0.46 -0.20 -0.55 8.41 8.24 2z4gA1 HIS 117 HA 0.01 0.17 0.57 -0.75 4.63 4.63 2z4gA1 HIS 117 HB2 -0.05 0.04 0.11 -0.04 3.26 3.32 2z4gA1 HIS 117 HB3 0.20 -0.04 0.13 -0.04 3.20 3.45 2z4gA1 HIS 117 HD2 -0.05 0.01 0.00 -0.04 6.97 6.90 2z4gA1 HIS 117 HE1 -0.06 0.03 0.00 -0.04 7.75 7.67 2z4gA1 PRO 118 HA -0.29 0.07 0.36 -0.51 4.44 4.07 2z4gA1 PRO 118 HB2 0.00 0.03 0.04 -0.04 2.28 2.31 2z4gA1 PRO 118 HB3 0.17 0.08 0.11 -0.04 2.02 2.35 2z4gA1 PRO 118 HG2 0.03 -0.02 0.07 -0.04 2.03 2.07 2z4gA1 PRO 118 HG3 -0.04 0.09 0.09 -0.04 2.03 2.13 2z4gA1 PRO 118 HD2 -0.39 0.06 0.24 -0.04 3.68 3.54 2z4gA1 PRO 118 HD3 -0.02 0.30 0.28 -0.04 3.65 4.16 2z4gA1 ASP 119 H 0.35 0.13 -0.27 -0.55 8.40 8.06 2z4gA1 ASP 119 HA -0.17 0.12 0.45 -0.75 4.63 4.28 2z4gA1 ASP 119 HB2 -0.57 0.00 0.00 -0.04 2.71 2.11 2z4gA1 ASP 119 HB3 -0.56 0.02 0.08 -0.04 2.70 2.20 2z4gA1 HIS 120 H -0.01 0.51 -0.40 -0.55 8.41 7.97 2z4gA1 HIS 120 HA 0.01 0.15 0.84 -0.75 4.63 4.86 2z4gA1 HIS 120 HB2 0.22 0.18 0.05 -0.04 3.26 3.66 2z4gA1 HIS 120 HB3 0.21 -0.07 0.14 -0.04 3.20 3.44 2z4gA1 HIS 120 HD2 -0.50 -0.00 -0.06 -0.04 6.97 6.37 2z4gA1 HIS 120 HE1 -0.11 -0.00 -0.04 -0.04 7.75 7.55 2z4gA1 GLN 121 H -0.12 0.34 -0.12 -0.55 8.47 8.03 2z4gA1 GLN 121 HA 0.34 0.12 0.40 -0.75 4.36 4.46 2z4gA1 GLN 121 HB2 -0.36 -0.01 0.07 -0.04 2.15 1.81 2z4gA1 GLN 121 HB3 -1.43 0.04 0.05 -0.04 2.02 0.64 2z4gA1 GLN 121 HG2 -0.28 0.25 0.12 -0.04 2.40 2.45 2z4gA1 GLN 121 HG3 -0.15 -0.05 -0.09 -0.04 2.39 2.05 2z4gA1 GLN 121 HE21 -0.16 -0.04 0.05 -0.04 6.97 6.78 2z4gA1 GLN 121 HE22 -0.27 0.40 0.20 -0.04 7.69 7.98 2z4gA1 GLU 122 H 0.03 0.13 -0.37 -0.55 8.60 7.85 2z4gA1 GLU 122 HA 0.11 0.08 0.39 -0.75 4.29 4.11 2z4gA1 GLU 123 H 0.07 0.53 -0.54 -0.55 8.60 8.12 2z4gA1 GLU 123 HA -0.09 0.03 0.35 -0.75 4.29 3.84 2z4gA1 GLU 123 HB2 -0.57 0.02 0.07 -0.04 2.09 1.57 2z4gA1 GLU 123 HB3 -0.77 0.11 0.03 -0.04 1.99 1.32 2z4gA1 GLU 123 HG2 -2.80 -0.01 -0.05 -0.04 2.34 -0.56 2z4gA1 GLU 123 HG3 -1.79 -0.04 -0.16 -0.04 2.34 0.31 2z4gA1 TYR 124 H 0.23 0.47 -0.24 -0.55 8.29 8.20 2z4gA1 TYR 124 HA -0.03 -0.01 0.38 -0.75 4.56 4.15 2z4gA1 TYR 124 HB2 0.01 0.20 0.12 -0.04 3.06 3.34 2z4gA1 TYR 124 HB3 -0.41 -0.03 -0.01 -0.04 2.98 2.49 2z4gA1 TYR 124 HD2 0.06 0.03 0.08 -0.04 7.15 7.28 2z4gA1 TYR 124 HE2 0.19 0.07 0.04 -0.04 6.85 7.10 2z4gA1 ALA 125 H 0.14 0.32 -0.38 -0.55 8.40 7.93 2z4gA1 ALA 125 HA 0.00 0.05 0.33 -0.75 4.34 3.96 2z4gA1 ALA 125 HB3 -0.12 0.02 0.08 -0.04 1.41 1.34 2z4gA1 TRP 126 H 0.18 0.43 -0.50 -0.55 7.97 7.52 2z4gA1 TRP 126 HA -0.07 0.10 0.63 -0.75 4.62 4.52 2z4gA1 TRP 126 HB2 -0.26 0.16 0.08 -0.04 3.23 3.16 2z4gA1 TRP 126 HB3 -0.16 -0.08 0.09 -0.04 3.23 3.04 2z4gA1 TRP 126 HD1 -0.15 0.15 0.05 -0.04 7.22 7.23 2z4gA1 TRP 126 HE1 -0.08 -0.01 -0.06 -0.04 10.20 10.01 2z4gA1 TRP 126 HE3 -0.08 -0.01 0.04 -0.04 7.59 7.50 2z4gA1 TRP 126 HZ2 -0.05 -0.01 -0.03 -0.04 7.44 7.31 2z4gA1 TRP 126 HZ3 -0.05 -0.02 0.00 -0.04 7.13 7.02 2z4gA1 TRP 126 HH2 -0.04 -0.02 -0.01 -0.04 7.19 7.07 2z4gA1 ARG 127 H 0.02 0.44 -0.21 -0.55 8.46 8.16 2z4gA1 ARG 127 HA 0.03 0.19 1.04 -0.75 4.34 4.85 2z4gA1 ARG 127 HB2 -0.01 0.03 -0.06 -0.04 1.90 1.82 2z4gA1 ARG 127 HB3 0.02 -0.08 -0.03 -0.04 1.80 1.67 2z4gA1 ARG 127 HG2 -0.27 0.11 -0.17 -0.04 1.67 1.29 2z4gA1 ARG 127 HG3 -0.51 -0.04 -0.14 -0.04 1.67 0.94 2z4gA1 ARG 127 HD2 -0.03 -0.05 -0.06 -0.04 3.22 3.03 2z4gA1 ARG 127 HD3 -0.08 0.04 -0.10 -0.04 3.22 3.04 2z4gA1 ASP 128 H 0.06 0.13 0.13 -0.55 8.40 8.18 2z4gA1 ASP 128 HA 0.07 0.18 0.67 -0.75 4.63 4.80 2z4gA1 ASP 128 HB2 0.06 0.12 0.13 -0.04 2.71 2.98 2z4gA1 ASP 128 HB3 0.08 -0.06 0.21 -0.04 2.70 2.89 2z4gA1 LEU 129 H 0.13 0.28 0.14 -0.55 8.37 8.37 2z4gA1 LEU 129 HA 0.22 0.10 0.26 -0.75 4.35 4.18 2z4gA1 LEU 129 HB2 0.20 0.13 0.10 -0.04 1.64 2.02 2z4gA1 LEU 129 HB3 0.19 -0.04 0.07 -0.04 1.64 1.81 2z4gA1 LEU 129 HG 0.45 -0.08 -0.28 -0.04 1.64 1.70 2z4gA1 LEU 129 HD13 0.33 0.01 -0.03 -0.04 0.93 1.20 2z4gA1 LEU 129 HD23 0.31 0.04 -0.26 -0.04 0.89 0.94 2z4gA1 LYS 130 H 0.15 0.12 -0.16 -0.55 8.42 7.97 2z4gA1 LYS 130 HA 0.23 0.09 0.40 -0.75 4.32 4.28 2z4gA1 GLU 131 H 0.13 0.19 -0.23 -0.55 8.60 8.14 2z4gA1 GLU 131 HA 0.12 0.06 0.47 -0.75 4.29 4.19 2z4gA1 GLU 131 HB2 0.10 0.14 0.11 -0.04 2.09 2.40 2z4gA1 GLU 131 HB3 0.09 0.01 0.03 -0.04 1.99 2.08 2z4gA1 GLU 131 HG2 0.08 0.00 0.03 -0.04 2.34 2.42 2z4gA1 GLU 131 HG3 0.08 -0.06 0.08 -0.04 2.34 2.39 2z4gA1 VAL 132 H 0.16 0.42 -0.22 -0.55 8.24 8.05 2z4gA1 VAL 132 HA 0.12 0.03 0.41 -0.75 4.13 3.94 2z4gA1 VAL 132 HB 0.10 0.14 0.08 -0.04 2.12 2.40 2z4gA1 VAL 132 HG13 0.01 -0.01 -0.09 -0.04 0.97 0.84 2z4gA1 VAL 132 HG23 0.16 0.06 -0.10 -0.04 0.95 1.04 2z4gA1 PHE 133 H 0.34 0.43 -0.09 -0.55 8.34 8.46 2z4gA1 PHE 133 HA -0.19 0.06 0.48 -0.75 4.62 4.21 2z4gA1 PHE 133 HB2 0.08 0.05 0.12 -0.04 3.15 3.36 2z4gA1 PHE 133 HB3 -0.00 -0.01 -0.03 -0.04 3.06 2.98 2z4gA1 PHE 133 HD2 -0.10 0.10 -0.02 -0.04 7.28 7.22 2z4gA1 PHE 133 HE2 0.08 0.04 -0.11 -0.04 7.38 7.35 2z4gA1 PHE 133 HZ 0.06 0.16 -0.07 -0.04 7.32 7.43 2z4gA1 ARG 134 H 0.22 0.54 -0.17 -0.55 8.46 8.49 2z4gA1 ARG 134 HA 0.28 0.06 0.43 -0.75 4.34 4.36 2z4gA1 ARG 134 HB2 0.17 0.03 0.14 -0.04 1.90 2.21 2z4gA1 ARG 134 HB3 0.14 0.04 0.18 -0.04 1.80 2.13 2z4gA1 ARG 134 HG2 0.13 -0.02 -0.13 -0.04 1.67 1.61 2z4gA1 ARG 134 HG3 0.15 0.02 0.08 -0.04 1.67 1.89 2z4gA1 ARG 134 HD2 0.10 -0.02 -0.01 -0.04 3.22 3.25 2z4gA1 ARG 134 HD3 0.09 0.00 -0.01 -0.04 3.22 3.26 2z4gA1 ALA 135 H 0.12 0.59 -0.15 -0.55 8.40 8.41 2z4gA1 ALA 135 HA 0.10 0.04 0.50 -0.75 4.34 4.22 2z4gA1 ALA 135 HB3 0.10 0.01 0.10 -0.04 1.41 1.59 2z4gA1 TYR 136 H 0.09 0.46 -0.22 -0.55 8.29 8.07 2z4gA1 TYR 136 HA -0.04 0.02 0.45 -0.75 4.56 4.23 2z4gA1 TYR 136 HB2 -0.23 0.10 0.14 -0.04 3.06 3.02 2z4gA1 TYR 136 HB3 -0.45 0.04 0.21 -0.04 2.98 2.74 2z4gA1 TYR 136 HD2 -0.28 0.01 -0.06 -0.04 7.15 6.78 2z4gA1 TYR 136 HE2 -0.02 0.19 -0.06 -0.04 6.85 6.91 2z4gA1 PHE 137 H -0.02 0.72 -0.03 -0.55 8.34 8.46 2z4gA1 PHE 137 HA 0.03 0.02 0.44 -0.75 4.62 4.35 2z4gA1 PHE 137 HB2 0.14 0.13 0.14 -0.04 3.15 3.51 2z4gA1 PHE 137 HB3 0.09 -0.05 0.07 -0.04 3.06 3.13 2z4gA1 PHE 137 HD2 0.18 -0.01 -0.14 -0.04 7.28 7.26 2z4gA1 PHE 137 HE2 0.24 0.06 -0.06 -0.04 7.38 7.57 2z4gA1 PHE 137 HZ 0.31 -0.11 -0.01 -0.04 7.32 7.47 2z4gA1 GLN 138 H 0.16 0.48 -0.23 -0.55 8.47 8.34 2z4gA1 GLN 138 HA 0.10 0.01 0.43 -0.75 4.36 4.15 2z4gA1 GLN 138 HB2 0.10 0.09 0.21 -0.04 2.15 2.51 2z4gA1 GLN 138 HB3 0.08 -0.07 0.08 -0.04 2.02 2.07 2z4gA1 GLN 138 HG2 0.10 -0.06 0.06 -0.04 2.40 2.46 2z4gA1 GLN 138 HG3 0.15 0.14 0.16 -0.04 2.39 2.79 2z4gA1 GLN 138 HE21 0.08 -0.06 -0.02 -0.04 6.97 6.93 2z4gA1 GLN 138 HE22 0.09 0.00 0.02 -0.04 7.69 7.76 2z4gA1 GLU 139 H 0.02 0.51 -0.29 -0.55 8.60 8.30 2z4gA1 GLU 139 HA 0.15 -0.02 0.51 -0.75 4.29 4.18 2z4gA1 GLU 139 HB2 -0.12 0.20 0.24 -0.04 2.09 2.37 2z4gA1 GLU 139 HB3 0.13 -0.07 0.05 -0.04 1.99 2.05 2z4gA1 GLU 139 HG2 0.06 0.14 0.10 -0.04 2.34 2.61 2z4gA1 GLU 139 HG3 0.09 0.01 0.11 -0.04 2.34 2.51 2z4gA1 VAL 140 H -0.08 0.48 0.00 -0.55 8.24 8.09 2z4gA1 VAL 140 HA -0.11 -0.02 0.40 -0.75 4.13 3.65 2z4gA1 VAL 140 HB 0.12 0.04 0.21 -0.04 2.12 2.45 2z4gA1 VAL 140 HG13 0.03 -0.01 -0.10 -0.04 0.97 0.85 2z4gA1 VAL 140 HG23 -0.18 0.04 0.07 -0.04 0.95 0.84 2z4gA1 GLU 141 H 0.03 0.69 -0.21 -0.55 8.60 8.57 2z4gA1 GLU 141 HA -0.02 0.04 0.40 -0.75 4.29 3.95 2z4gA1 GLU 141 HB2 0.04 -0.02 0.00 -0.04 2.09 2.07 2z4gA1 GLU 141 HB3 0.03 0.14 0.14 -0.04 1.99 2.26 2z4gA1 GLU 141 HG2 0.00 -0.02 -0.19 -0.04 2.34 2.09 2z4gA1 GLU 141 HG3 0.00 0.09 -0.05 -0.04 2.34 2.34 2z4gA1 LYS 142 H -0.01 0.42 -0.12 -0.55 8.42 8.16 2z4gA1 LYS 142 HA -0.05 0.05 0.39 -0.75 4.32 3.96 2z4gA1 LYS 142 HB2 0.19 0.05 0.04 -0.04 1.87 2.11 2z4gA1 LYS 142 HB3 0.17 -0.07 0.01 -0.04 1.79 1.86 2z4gA1 LYS 142 HG2 0.08 -0.04 0.04 -0.04 1.46 1.51 2z4gA1 LYS 142 HG3 0.10 0.32 0.17 -0.04 1.46 2.00 2z4gA1 LYS 142 HD2 0.29 -0.01 0.03 -0.04 1.69 1.96 2z4gA1 LYS 142 HD3 0.19 -0.07 0.01 -0.04 1.68 1.77 2z4gA1 LYS 142 HE2 0.08 -0.02 -0.00 -0.04 2.99 3.01 2z4gA1 LYS 142 HE3 0.10 0.07 -0.07 -0.04 2.99 3.05 2z4gA1 ALA 143 H -0.52 0.54 -0.22 -0.55 8.40 7.65 2z4gA1 ALA 143 HA -1.41 -0.07 0.40 -0.75 4.34 2.52 2z4gA1 ALA 143 HB3 -0.38 0.04 0.03 -0.04 1.41 1.05 2z4gA1 ALA 144 H -0.16 0.50 -0.28 -0.55 8.40 7.92 2z4gA1 ALA 144 HA -0.01 0.01 0.31 -0.75 4.34 3.89 2z4gA1 ALA 144 HB3 -0.03 0.03 -0.07 -0.04 1.41 1.30 2z4gA1 ARG 145 H -0.13 0.30 -0.46 -0.55 8.46 7.62 2z4gA1 ARG 145 HA -0.04 0.24 0.91 -0.75 4.34 4.69 2z4gA1 ARG 145 HB2 -0.05 0.03 0.11 -0.04 1.90 1.95 2z4gA1 ARG 145 HB3 -0.03 -0.07 0.10 -0.04 1.80 1.75 2z4gA1 ARG 145 HG2 -0.02 0.02 0.02 -0.04 1.67 1.65 2z4gA1 ARG 145 HG3 -0.03 0.02 -0.15 -0.04 1.67 1.47 2z4gA1 ARG 145 HD2 -0.01 -0.05 -0.00 -0.04 3.22 3.11 2z4gA1 ARG 145 HD3 -0.01 -0.02 -0.02 -0.04 3.22 3.13 2z4gA1 SER 146 H -0.17 0.34 -0.31 -0.55 8.46 7.78 2z4gA1 SER 146 HA -0.06 0.04 0.39 -0.75 4.49 4.11 2z4gA1 SER 146 HB2 -0.07 -0.10 0.09 -0.04 3.95 3.82 2z4gA1 SER 146 HB3 -0.20 0.04 0.12 -0.04 3.93 3.85 2z4gA1 GLY 147 H -0.11 0.23 -0.35 -0.55 8.43 7.65 2z4gA1 GLY 147 HA2 -0.08 0.12 0.24 -0.51 4.01 3.78 2z4gA1 GLY 147 HA3 -0.08 0.08 0.41 -0.51 4.01 3.91 2z4gA1 LEU 148 H -0.41 -0.02 -0.44 -0.55 8.37 6.95 2z4gA1 LEU 148 HA -0.33 0.21 0.55 -0.75 4.35 4.03 2z4gA1 LEU 148 HB2 -1.52 -0.03 -0.07 -0.04 1.64 -0.02 2z4gA1 LEU 148 HB3 -1.03 -0.02 -0.10 -0.04 1.64 0.45 2z4gA1 LEU 148 HG -0.27 0.17 -0.16 -0.04 1.64 1.34 2z4gA1 LEU 148 HD13 -0.13 -0.05 -0.03 -0.04 0.93 0.68 2z4gA1 LEU 148 HD23 -0.19 0.02 -0.08 -0.04 0.89 0.59 2z4gA1 PHE 149 H -0.22 0.13 -0.11 -0.55 8.34 7.58 2z4gA1 PHE 149 HA -0.28 0.23 0.95 -0.75 4.62 4.76 2z4gA1 PHE 149 HB2 -0.12 0.05 -0.18 -0.04 3.15 2.86 2z4gA1 PHE 149 HB3 -0.18 0.00 0.01 -0.04 3.06 2.85 2z4gA1 PHE 149 HD2 -0.15 0.14 -0.29 -0.04 7.28 6.94 2z4gA1 PHE 149 HE2 -0.09 -0.02 -0.15 -0.04 7.38 7.09 2z4gA1 PHE 149 HZ 0.18 -0.02 -0.27 -0.04 7.32 7.18 2z4gA1 HIS 150 H -0.11 0.43 0.30 -0.55 8.41 8.49 2z4gA1 HIS 150 HA 0.01 0.25 0.72 -0.75 4.63 4.86 2z4gA1 HIS 150 HB2 -0.49 -0.09 0.11 -0.04 3.26 2.76 2z4gA1 HIS 150 HB3 -1.17 0.01 -0.02 -0.04 3.20 1.98 2z4gA1 HIS 150 HD2 0.16 0.09 -0.02 -0.04 6.97 7.15 2z4gA1 HIS 150 HE1 0.15 0.08 -0.22 -0.04 7.75 7.71 2z4gA1 ALA 151 H -0.08 0.21 0.23 -0.55 8.40 8.22 2z4gA1 ALA 151 HA 0.14 0.30 0.83 -0.75 4.34 4.86 2z4gA1 ALA 151 HB3 0.11 -0.03 -0.32 -0.04 1.41 1.13 2z4gA1 ILE 152 H 0.04 0.59 0.32 -0.55 8.25 8.65 2z4gA1 ILE 152 HA -0.17 0.24 0.88 -0.75 4.18 4.37 2z4gA1 ILE 152 HB 0.02 -0.01 0.15 -0.04 1.89 2.01 2z4gA1 ILE 152 HG12 0.01 0.03 -0.12 -0.04 1.49 1.37 2z4gA1 ILE 152 HG13 -0.01 0.02 -0.04 -0.04 1.21 1.13 2z4gA1 ILE 152 HG23 -0.01 -0.01 -0.14 -0.04 0.93 0.73 2z4gA1 ILE 152 HD13 -0.10 0.01 -0.13 -0.04 0.88 0.62 2z4gA1 GLY 153 H -0.27 0.77 0.31 -0.55 8.43 8.70 2z4gA1 GLY 153 HA2 -0.19 -0.03 0.40 -0.51 4.01 3.68 2z4gA1 GLY 153 HA3 -0.50 0.02 0.22 -0.51 4.01 3.24 2z4gA1 HIS 154 H -0.12 0.10 0.10 -0.55 8.41 7.94 2z4gA1 HIS 154 HA 0.03 0.02 0.36 -0.75 4.63 4.29 2z4gA1 HIS 154 HB2 -0.93 -0.04 0.09 -0.04 3.26 2.35 2z4gA1 HIS 154 HB3 -0.35 -0.00 0.10 -0.04 3.20 2.90 2z4gA1 HIS 154 HD2 0.06 0.01 -0.05 -0.04 6.97 6.93 2z4gA1 HIS 154 HE1 -0.31 0.10 -0.12 -0.04 7.75 7.37 2z4gA1 LEU 155 H 0.18 0.16 -0.09 -0.55 8.37 8.07 2z4gA1 LEU 155 HA 0.29 0.21 0.39 -0.75 4.35 4.49 2z4gA1 LEU 155 HB2 0.17 0.11 0.03 -0.04 1.64 1.91 2z4gA1 LEU 155 HB3 0.23 -0.15 0.06 -0.04 1.64 1.75 2z4gA1 LEU 155 HG 0.41 -0.05 -0.27 -0.04 1.64 1.70 2z4gA1 LEU 155 HD13 0.18 0.02 -0.01 -0.04 0.93 1.08 2z4gA1 LEU 155 HD23 0.07 -0.00 -0.08 -0.04 0.89 0.84 2z4gA1 ASP 156 H 0.32 0.02 -0.17 -0.55 8.40 8.03 2z4gA1 ASP 156 HA 0.40 0.26 0.86 -0.75 4.63 5.39 2z4gA1 ASP 156 HB2 0.51 0.01 0.19 -0.04 2.71 3.38 2z4gA1 ASP 156 HB3 0.49 0.03 0.01 -0.04 2.70 3.20 2z4gA1 LEU 157 H -0.04 0.48 -0.40 -0.55 8.37 7.86 2z4gA1 LEU 157 HA -0.33 -0.06 0.27 -0.75 4.35 3.47 2z4gA1 LEU 157 HB2 -0.39 0.28 0.12 -0.04 1.64 1.61 2z4gA1 LEU 157 HB3 -0.86 0.04 -0.01 -0.04 1.64 0.76 2z4gA1 LEU 157 HG -0.47 -0.05 -0.24 -0.04 1.64 0.84 2z4gA1 LEU 157 HD13 -0.77 -0.03 0.04 -0.04 0.93 0.13 2z4gA1 LEU 157 HD23 -0.39 0.01 -0.02 -0.04 0.89 0.44 2z4gA1 PRO 158 HA -0.34 0.11 0.42 -0.51 4.44 4.12 2z4gA1 PRO 158 HB2 -1.99 0.02 -0.09 -0.04 2.28 0.18 2z4gA1 PRO 158 HB3 -0.68 0.00 -0.01 -0.04 2.02 1.30 2z4gA1 PRO 158 HG2 -0.94 0.02 -0.06 -0.04 2.03 1.02 2z4gA1 PRO 158 HG3 -0.97 0.05 -0.09 -0.04 2.03 0.99 2z4gA1 PRO 158 HD2 -0.56 0.04 -0.39 -0.04 3.68 2.74 2z4gA1 PRO 158 HD3 -1.52 0.14 -0.09 -0.04 3.65 2.14 2z4gA1 LYS 159 H 0.01 0.53 -0.23 -0.55 8.42 8.19 2z4gA1 LYS 159 HA 0.16 0.31 0.66 -0.75 4.32 4.70 2z4gA1 LYS 159 HB2 0.14 -0.04 0.02 -0.04 1.87 1.95 2z4gA1 LYS 159 HB3 0.36 -0.04 0.10 -0.04 1.79 2.18 2z4gA1 LYS 159 HG2 0.24 0.18 -0.04 -0.04 1.46 1.80 2z4gA1 LYS 159 HG3 0.03 -0.02 -0.39 -0.04 1.46 1.05 2z4gA1 LYS 159 HD2 0.02 0.04 -0.13 -0.04 1.69 1.57 2z4gA1 LYS 159 HD3 0.15 -0.10 -0.04 -0.04 1.68 1.65 2z4gA1 LYS 159 HE2 0.21 -0.09 -0.21 -0.04 2.99 2.86 2z4gA1 LYS 159 HE3 -0.26 0.14 -0.31 -0.04 2.99 2.52 2z4gA1 LYS 160 H -0.11 0.45 -0.33 -0.55 8.42 7.88 2z4gA1 LYS 160 HA -0.12 -0.03 0.29 -0.75 4.32 3.70 2z4gA1 LYS 160 HB2 -0.27 0.15 0.17 -0.04 1.87 1.89 2z4gA1 LYS 160 HB3 -0.74 -0.00 0.09 -0.04 1.79 1.10 2z4gA1 LYS 160 HG2 -1.40 -0.00 -0.20 -0.04 1.46 -0.18 2z4gA1 LYS 160 HG3 -0.34 -0.07 0.01 -0.04 1.46 1.03 2z4gA1 LYS 160 HD2 -0.29 -0.05 0.03 -0.04 1.69 1.34 2z4gA1 LYS 160 HD3 -0.57 0.03 0.05 -0.04 1.68 1.15 2z4gA1 LYS 160 HE2 -0.26 -0.03 -0.02 -0.04 2.99 2.65 2z4gA1 LYS 160 HE3 -0.15 -0.05 -0.02 -0.04 2.99 2.73 2z4gA1 PHE 161 H -0.25 0.18 -0.21 -0.55 8.34 7.51 2z4gA1 PHE 161 HA -0.05 0.17 0.76 -0.75 4.62 4.74 2z4gA1 PHE 161 HB2 -0.03 0.02 0.03 -0.04 3.15 3.13 2z4gA1 PHE 161 HB3 -0.02 0.01 0.15 -0.04 3.06 3.16 2z4gA1 PHE 161 HD2 -0.01 0.05 -0.00 -0.04 7.28 7.28 2z4gA1 PHE 161 HE2 0.08 0.08 -0.13 -0.04 7.38 7.37 2z4gA1 PHE 161 HZ 0.01 0.08 -0.63 -0.04 7.32 6.74 2z4gA1 GLY 162 H -0.07 0.64 -0.32 -0.55 8.43 8.14 2z4gA1 GLY 162 HA2 -0.07 0.09 0.08 -0.51 4.01 3.60 2z4gA1 GLY 162 HA3 -0.14 0.19 0.80 -0.51 4.01 4.35 2z4gA1 HIS 163 H -0.00 0.14 -0.00 -0.55 8.41 8.00 2z4gA1 HIS 163 HA 0.05 0.19 0.94 -0.75 4.63 5.06 2z4gA1 HIS 163 HB2 -0.05 0.10 0.14 -0.04 3.26 3.41 2z4gA1 HIS 163 HB3 0.13 -0.04 -0.06 -0.04 3.20 3.19 2z4gA1 HIS 163 HD2 0.07 -0.01 -0.06 -0.04 6.97 6.93 2z4gA1 HIS 163 HE1 -0.10 0.02 -0.08 -0.04 7.75 7.54 2z4gA1 ARG 164 H 0.10 0.23 0.07 -0.55 8.46 8.31 2z4gA1 ARG 164 HA 0.14 0.15 0.77 -0.75 4.34 4.64 2z4gA1 ARG 164 HB2 0.04 -0.00 0.01 -0.04 1.90 1.91 2z4gA1 ARG 164 HB3 0.02 0.05 -0.10 -0.04 1.80 1.73 2z4gA1 ARG 164 HG2 0.06 -0.01 -0.28 -0.04 1.67 1.39 2z4gA1 ARG 164 HG3 0.02 0.07 -0.10 -0.04 1.67 1.62 2z4gA1 ARG 164 HD2 0.02 -0.01 -0.04 -0.04 3.22 3.15 2z4gA1 ARG 164 HD3 0.03 -0.03 -0.00 -0.04 3.22 3.17 2z4gA1 LEU 165 H -0.13 0.16 0.16 -0.55 8.37 8.01 2z4gA1 LEU 165 HA -0.02 0.25 0.97 -0.75 4.35 4.79 2z4gA1 LEU 165 HB2 -0.43 -0.04 0.04 -0.04 1.64 1.17 2z4gA1 LEU 165 HB3 -0.14 0.02 0.01 -0.04 1.64 1.48 2z4gA1 LEU 165 HG -0.61 0.05 -0.17 -0.04 1.64 0.87 2z4gA1 LEU 165 HD13 -0.27 -0.01 -0.11 -0.04 0.93 0.49 2z4gA1 LEU 165 HD23 0.07 0.00 -0.13 -0.04 0.89 0.79 2z4gA1 PRO 166 HA -0.00 0.11 0.43 -0.51 4.44 4.46 2z4gA1 PRO 166 HB2 -0.00 -0.15 0.05 -0.04 2.28 2.14 2z4gA1 PRO 166 HB3 0.00 0.09 0.10 -0.04 2.02 2.17 2z4gA1 PRO 166 HG2 0.01 0.06 0.09 -0.04 2.03 2.16 2z4gA1 PRO 166 HG3 0.01 0.13 0.08 -0.04 2.03 2.21 2z4gA1 PRO 166 HD2 -0.01 0.05 0.22 -0.04 3.68 3.89 2z4gA1 PRO 166 HD3 0.01 0.28 0.22 -0.04 3.65 4.12 2z4gA1 GLU 167 H -0.00 0.22 0.19 -0.55 8.60 8.45 2z4gA1 GLU 167 HA -0.01 0.08 0.32 -0.75 4.29 3.93 2z4gA1 GLU 167 HB2 0.00 -0.02 0.15 -0.04 2.09 2.18 2z4gA1 GLU 167 HB3 0.00 0.06 -0.10 -0.04 1.99 1.92 2z4gA1 GLU 167 HG2 0.01 -0.04 0.06 -0.04 2.34 2.33 2z4gA1 GLU 167 HG3 0.00 0.03 0.12 -0.04 2.34 2.45 2z4gA1 GLU 168 H -0.00 0.14 -0.08 -0.55 8.60 8.10 2z4gA1 GLU 168 HA -0.00 0.11 0.42 -0.75 4.29 4.06 2z4gA1 ALA 169 H -0.01 0.16 -0.41 -0.55 8.40 7.60 2z4gA1 ALA 169 HA 0.01 0.08 0.44 -0.75 4.34 4.12 2z4gA1 ALA 169 HB3 -0.00 0.04 0.06 -0.04 1.41 1.46 2z4gA1 LEU 170 H -0.04 0.54 -0.07 -0.55 8.37 8.25 2z4gA1 LEU 170 HA -0.01 0.01 0.34 -0.75 4.35 3.93 2z4gA1 LEU 170 HB2 -0.12 0.01 -0.02 -0.04 1.64 1.47 2z4gA1 LEU 170 HB3 -0.03 0.04 0.07 -0.04 1.64 1.68 2z4gA1 LEU 170 HG 0.04 0.01 -0.20 -0.04 1.64 1.45 2z4gA1 LEU 170 HD13 0.14 -0.01 0.03 -0.04 0.93 1.05 2z4gA1 LEU 170 HD23 0.04 -0.02 -0.01 -0.04 0.89 0.87 2z4gA1 LEU 171 H -0.01 0.63 -0.22 -0.55 8.37 8.22 2z4gA1 LEU 171 HA -0.05 0.00 0.31 -0.75 4.35 3.86 2z4gA1 LEU 171 HB2 -0.01 0.06 0.10 -0.04 1.64 1.75 2z4gA1 LEU 171 HB3 -0.02 0.02 -0.06 -0.04 1.64 1.54 2z4gA1 LEU 171 HG -0.01 -0.07 -0.07 -0.04 1.64 1.45 2z4gA1 LEU 171 HD13 -0.00 -0.01 -0.10 -0.04 0.93 0.77 2z4gA1 LEU 171 HD23 -0.01 0.04 -0.10 -0.04 0.89 0.77 2z4gA1 GLU 172 H -0.00 0.48 -0.07 -0.55 8.60 8.46 2z4gA1 GLU 172 HA -0.01 0.05 0.46 -0.75 4.29 4.04 2z4gA1 GLU 172 HB2 0.01 -0.01 0.12 -0.04 2.09 2.18 2z4gA1 GLU 172 HB3 0.02 0.02 0.15 -0.04 1.99 2.14 2z4gA1 GLU 172 HG2 0.03 0.01 -0.13 -0.04 2.34 2.21 2z4gA1 GLU 172 HG3 0.02 -0.01 0.03 -0.04 2.34 2.34 2z4gA1 LEU 173 H 0.04 0.57 -0.15 -0.55 8.37 8.28 2z4gA1 LEU 173 HA 0.12 0.06 0.52 -0.75 4.35 4.29 2z4gA1 LEU 173 HB2 0.31 0.08 0.07 -0.04 1.64 2.06 2z4gA1 LEU 173 HB3 0.49 -0.05 -0.05 -0.04 1.64 1.99 2z4gA1 LEU 173 HG 0.11 0.14 0.05 -0.04 1.64 1.90 2z4gA1 LEU 173 HD13 0.19 -0.04 -0.02 -0.04 0.93 1.01 2z4gA1 LEU 173 HD23 0.13 -0.01 -0.04 -0.04 0.89 0.93 2z4gA1 ALA 174 H -0.18 0.43 -0.20 -0.55 8.40 7.91 2z4gA1 ALA 174 HA -0.94 0.04 0.53 -0.75 4.34 3.21 2z4gA1 ALA 174 HB3 -0.62 -0.01 0.06 -0.04 1.41 0.81 2z4gA1 GLU 175 H -0.10 0.34 -0.33 -0.55 8.60 7.97 2z4gA1 GLU 175 HA -0.07 0.00 0.33 -0.75 4.29 3.80 2z4gA1 GLU 175 HB2 -0.04 0.09 0.13 -0.04 2.09 2.24 2z4gA1 GLU 175 HB3 -0.02 0.13 0.14 -0.04 1.99 2.20 2z4gA1 GLU 175 HG2 -0.01 -0.01 -0.03 -0.04 2.34 2.25 2z4gA1 GLU 175 HG3 -0.02 -0.04 -0.29 -0.04 2.34 1.95 2z4gA1 PRO 176 HA -0.01 0.06 0.47 -0.51 4.44 4.45 2z4gA1 PRO 176 HB2 0.03 0.04 -0.04 -0.04 2.28 2.27 2z4gA1 PRO 176 HB3 0.02 0.02 0.08 -0.04 2.02 2.09 2z4gA1 PRO 176 HG2 0.04 0.05 0.05 -0.04 2.03 2.13 2z4gA1 PRO 176 HG3 0.01 0.01 0.05 -0.04 2.03 2.06 2z4gA1 PRO 176 HD2 -0.00 0.26 -0.11 -0.04 3.68 3.78 2z4gA1 PRO 176 HD3 -0.01 0.19 0.07 -0.04 3.65 3.85 2z4gA1 ALA 177 H -0.05 0.24 -0.41 -0.55 8.40 7.62 2z4gA1 ALA 177 HA 0.00 0.05 0.48 -0.75 4.34 4.12 2z4gA1 ALA 177 HB3 0.00 0.04 0.06 -0.04 1.41 1.47 2z4gA1 LEU 178 H -0.07 0.54 -0.04 -0.55 8.37 8.25 2z4gA1 LEU 178 HA -0.02 0.02 0.45 -0.75 4.35 4.05 2z4gA1 LEU 178 HB2 -0.05 0.10 0.14 -0.04 1.64 1.79 2z4gA1 LEU 178 HB3 -0.02 0.01 -0.05 -0.04 1.64 1.53 2z4gA1 LEU 178 HG -0.11 0.14 0.01 -0.04 1.64 1.64 2z4gA1 LEU 178 HD13 -0.05 -0.03 -0.11 -0.04 0.93 0.69 2z4gA1 LEU 178 HD23 -0.00 -0.02 -0.07 -0.04 0.89 0.76 2z4gA1 ARG 179 H -0.02 0.58 -0.07 -0.55 8.46 8.39 2z4gA1 ARG 179 HA -0.02 0.07 0.42 -0.75 4.34 4.06 2z4gA1 ARG 179 HB2 -0.01 0.05 0.11 -0.04 1.90 2.01 2z4gA1 ARG 179 HB3 -0.01 -0.02 0.04 -0.04 1.80 1.77 2z4gA1 ARG 179 HG2 -0.02 0.15 0.07 -0.04 1.67 1.82 2z4gA1 ARG 179 HG3 -0.01 -0.07 -0.04 -0.04 1.67 1.50 2z4gA1 ARG 179 HD2 -0.02 0.03 -0.01 -0.04 3.22 3.18 2z4gA1 ARG 179 HD3 -0.01 -0.03 -0.03 -0.04 3.22 3.10 2z4gA1 ALA 180 H -0.01 0.39 -0.29 -0.55 8.40 7.94 2z4gA1 ALA 180 HA -0.01 0.02 0.41 -0.75 4.34 4.00 2z4gA1 ALA 180 HB3 -0.02 0.03 0.10 -0.04 1.41 1.48 2z4gA1 VAL 181 H -0.01 0.53 -0.11 -0.55 8.24 8.10 2z4gA1 VAL 181 HA 0.00 0.02 0.41 -0.75 4.13 3.81 2z4gA1 VAL 181 HB -0.00 0.06 0.10 -0.04 2.12 2.23 2z4gA1 VAL 181 HG13 0.01 0.00 -0.22 -0.04 0.97 0.73 2z4gA1 VAL 181 HG23 0.01 0.05 0.00 -0.04 0.95 0.97 2z4gA1 ALA 182 H -0.02 0.51 -0.24 -0.55 8.40 8.10 2z4gA1 ALA 182 HA -0.05 0.09 0.46 -0.75 4.34 4.09 2z4gA1 ALA 182 HB3 -0.03 0.01 0.11 -0.04 1.41 1.47 2z4gA1 GLU 183 H -0.02 0.77 0.03 -0.55 8.60 8.84 2z4gA1 GLU 183 HA -0.01 0.02 0.43 -0.75 4.29 3.97 2z4gA1 GLU 183 HB2 -0.01 0.02 0.13 -0.04 2.09 2.19 2z4gA1 GLU 183 HB3 -0.01 -0.10 0.09 -0.04 1.99 1.94 2z4gA1 GLU 183 HG2 -0.01 -0.07 0.04 -0.04 2.34 2.26 2z4gA1 GLU 183 HG3 -0.01 0.44 0.17 -0.04 2.34 2.89 2z4gA1 ALA 184 H -0.01 0.41 -0.37 -0.55 8.40 7.89 2z4gA1 ALA 184 HA 0.00 0.08 0.71 -0.75 4.34 4.38 2z4gA1 ALA 184 HB3 0.00 -0.06 0.13 -0.04 1.41 1.45 2z4gA1 GLY 185 H -0.01 0.32 -0.38 -0.55 8.43 7.81 2z4gA1 GLY 185 HA2 -0.04 0.04 0.32 -0.51 4.01 3.82 2z4gA1 GLY 185 HA3 0.04 0.01 0.50 -0.51 4.01 4.05 2z4gA1 LEU 186 H 0.02 0.29 0.01 -0.55 8.37 8.14 2z4gA1 LEU 186 HA 0.30 0.22 0.61 -0.75 4.35 4.72 2z4gA1 LEU 186 HB2 0.05 -0.02 0.11 -0.04 1.64 1.74 2z4gA1 LEU 186 HB3 0.11 -0.04 -0.03 -0.04 1.64 1.64 2z4gA1 LEU 186 HG 0.13 -0.01 -0.45 -0.04 1.64 1.27 2z4gA1 LEU 186 HD13 0.08 0.01 -0.14 -0.04 0.93 0.84 2z4gA1 LEU 186 HD23 0.07 -0.06 -0.14 -0.04 0.89 0.72 2z4gA1 PHE 187 H 0.50 0.48 0.42 -0.55 8.34 9.19 2z4gA1 PHE 187 HA 0.05 0.23 0.82 -0.75 4.62 4.96 2z4gA1 PHE 187 HB2 0.17 -0.08 -0.08 -0.04 3.15 3.12 2z4gA1 PHE 187 HB3 0.12 -0.06 -0.07 -0.04 3.06 3.00 2z4gA1 PHE 187 HD2 0.06 0.01 -0.19 -0.04 7.28 7.12 2z4gA1 PHE 187 HE2 -0.79 0.05 -0.05 -0.04 7.38 6.55 2z4gA1 PHE 187 HZ -0.34 0.00 -0.04 -0.04 7.32 6.90 2z4gA1 LEU 188 H 0.22 0.50 0.31 -0.55 8.37 8.86 2z4gA1 LEU 188 HA 0.11 0.10 1.09 -0.75 4.35 4.89 2z4gA1 LEU 188 HB2 0.08 0.02 0.01 -0.04 1.64 1.71 2z4gA1 LEU 188 HB3 0.10 0.01 -0.16 -0.04 1.64 1.55 2z4gA1 LEU 188 HG 0.06 0.08 -0.28 -0.04 1.64 1.47 2z4gA1 LEU 188 HD13 0.07 -0.00 -0.13 -0.04 0.93 0.83 2z4gA1 LEU 188 HD23 0.07 -0.02 -0.04 -0.04 0.89 0.86 2z4gA1 ASP 189 H 0.08 0.63 0.15 -0.55 8.40 8.71 2z4gA1 ASP 189 HA 0.19 0.24 0.52 -0.75 4.63 4.82 2z4gA1 ASP 189 HB2 0.06 0.02 -0.13 -0.04 2.71 2.63 2z4gA1 ASP 189 HB3 0.04 0.05 0.21 -0.04 2.70 2.96 2z4gA1 VAL 190 H 0.13 0.73 0.27 -0.55 8.24 8.81 2z4gA1 VAL 190 HA 0.12 0.34 0.89 -0.75 4.13 4.72 2z4gA1 VAL 190 HB 0.00 -0.10 0.06 -0.04 2.12 2.04 2z4gA1 VAL 190 HG13 0.01 0.00 -0.10 -0.04 0.97 0.84 2z4gA1 VAL 190 HG23 -0.02 0.03 -0.08 -0.04 0.95 0.84 2z4gA1 ASN 191 H 0.23 0.65 0.25 -0.55 8.53 9.11 2z4gA1 ASN 191 HA 0.21 0.26 0.77 -0.75 4.76 5.25 2z4gA1 ASN 191 HB2 0.26 0.02 -0.07 -0.04 2.88 3.05 2z4gA1 ASN 191 HB3 0.51 -0.09 0.21 -0.04 2.79 3.38 2z4gA1 ASN 191 HD21 -0.02 0.06 -0.08 -0.04 7.03 6.95 2z4gA1 ASN 191 HD22 0.23 -0.07 -0.04 -0.04 7.74 7.82 2z4gA1 THR 192 H 0.25 0.66 0.39 -0.55 8.28 9.03 2z4gA1 THR 192 HA 0.17 0.06 0.55 -0.75 4.39 4.42 2z4gA1 THR 192 HB 0.39 -0.03 0.07 -0.04 4.32 4.71 2z4gA1 THR 192 HG23 0.28 0.05 -0.05 -0.04 1.22 1.46 2z4gA1 ALA 193 H 0.19 0.08 -0.29 -0.55 8.40 7.83 2z4gA1 ALA 193 HA 0.01 0.13 0.43 -0.75 4.34 4.15 2z4gA1 ALA 193 HB3 0.16 0.04 0.01 -0.04 1.41 1.58 2z4gA1 GLY 194 H 0.03 0.14 -0.40 -0.55 8.43 7.65 2z4gA1 GLY 194 HA2 -0.55 -0.01 0.31 -0.51 4.01 3.26 2z4gA1 GLY 194 HA3 -0.64 0.24 0.25 -0.51 4.01 3.35 2z4gA1 LEU 195 H 0.02 0.31 -0.47 -0.55 8.37 7.69 2z4gA1 LEU 195 HA -0.00 -0.04 0.24 -0.75 4.35 3.79 2z4gA1 LEU 195 HB2 0.29 0.18 -0.01 -0.04 1.64 2.07 2z4gA1 LEU 195 HB3 0.21 0.00 -0.04 -0.04 1.64 1.77 2z4gA1 LEU 195 HG 0.05 -0.12 -0.24 -0.04 1.64 1.30 2z4gA1 LEU 195 HD13 0.11 0.00 -0.05 -0.04 0.93 0.95 2z4gA1 LEU 195 HD23 0.03 -0.01 -0.30 -0.04 0.89 0.57 2z4gA1 ARG 196 H -0.06 0.53 -0.42 -0.55 8.46 7.96 2z4gA1 ARG 196 HA -0.07 0.13 0.71 -0.75 4.34 4.35 2z4gA1 ARG 196 HB2 -0.16 0.05 0.07 -0.04 1.90 1.82 2z4gA1 ARG 196 HB3 -0.21 -0.07 0.14 -0.04 1.80 1.63 2z4gA1 ARG 196 HG2 -0.78 -0.01 -0.11 -0.04 1.67 0.73 2z4gA1 ARG 196 HG3 -0.44 0.06 0.00 -0.04 1.67 1.25 2z4gA1 ARG 196 HD2 -0.57 -0.03 -0.00 -0.04 3.22 2.57 2z4gA1 ARG 196 HD3 -1.63 -0.04 -0.03 -0.04 3.22 1.48 2z4gA1 ARG 197 H -0.08 0.29 -0.23 -0.55 8.46 7.88 2z4gA1 ARG 197 HA -0.03 0.19 0.89 -0.75 4.34 4.64 2z4gA1 ARG 197 HB2 -0.12 -0.07 0.14 -0.04 1.90 1.81 2z4gA1 ARG 197 HB3 -0.11 0.07 0.20 -0.04 1.80 1.92 2z4gA1 ARG 197 HG2 -0.05 0.14 -0.11 -0.04 1.67 1.61 2z4gA1 ARG 197 HG3 -0.05 -0.08 -0.04 -0.04 1.67 1.46 2z4gA1 ARG 197 HD2 -0.05 0.00 -0.04 -0.04 3.22 3.09 2z4gA1 ARG 197 HD3 -0.05 0.07 -0.42 -0.04 3.22 2.78 2z4gA1 PRO 198 HA -0.01 0.06 0.40 -0.51 4.44 4.38 2z4gA1 PRO 198 HB2 0.01 -0.09 -0.22 -0.04 2.28 1.94 2z4gA1 PRO 198 HB3 0.01 0.04 -0.04 -0.04 2.02 1.99 2z4gA1 PRO 198 HG2 0.17 -0.00 0.10 -0.04 2.03 2.25 2z4gA1 PRO 198 HG3 0.05 0.01 0.05 -0.04 2.03 2.10 2z4gA1 PRO 198 HD2 -0.00 0.19 0.25 -0.04 3.68 4.07 2z4gA1 PRO 198 HD3 0.03 0.10 0.20 -0.04 3.65 3.94 2z4gA1 ALA 199 H -0.09 0.38 -0.17 -0.55 8.40 7.98 2z4gA1 ALA 199 HA -0.05 -0.04 0.28 -0.75 4.34 3.78 2z4gA1 ALA 199 HB3 -0.14 0.00 -0.15 -0.04 1.41 1.09 2z4gA1 LYS 200 H -0.07 0.37 -0.38 -0.55 8.42 7.79 2z4gA1 LYS 200 HA -0.02 0.10 0.29 -0.75 4.32 3.93 2z4gA1 LYS 200 HB2 -0.02 0.16 -0.16 -0.04 1.87 1.81 2z4gA1 LYS 200 HB3 -0.00 -0.14 0.20 -0.04 1.79 1.81 2z4gA1 LYS 200 HG2 -0.02 0.28 -0.04 -0.04 1.46 1.64 2z4gA1 LYS 200 HG3 -0.01 -0.01 -0.07 -0.04 1.46 1.33 2z4gA1 LYS 200 HD2 0.01 -0.10 0.01 -0.04 1.69 1.56 2z4gA1 LYS 200 HD3 0.01 -0.02 0.05 -0.04 1.68 1.68 2z4gA1 LYS 200 HE2 0.00 -0.04 -0.05 -0.04 2.99 2.86 2z4gA1 LYS 200 HE3 0.02 -0.11 -0.01 -0.04 2.99 2.85 2z4gA1 GLU 201 H -0.12 0.33 -0.55 -0.55 8.60 7.71 2z4gA1 GLU 201 HA -0.02 0.05 0.47 -0.75 4.29 4.03 2z4gA1 GLU 201 HB2 -0.03 0.21 -0.32 -0.04 2.09 1.91 2z4gA1 GLU 201 HB3 -0.07 -0.08 -0.26 -0.04 1.99 1.54 2z4gA1 GLU 201 HG2 -0.01 0.20 -0.20 -0.04 2.34 2.29 2z4gA1 GLU 201 HG3 0.00 -0.03 0.04 -0.04 2.34 2.31 2z4gA1 VAL 202 H -0.01 0.12 -0.02 -0.55 8.24 7.79 2z4gA1 VAL 202 HA -0.07 -0.03 0.39 -0.75 4.13 3.66 2z4gA1 VAL 202 HB 0.07 0.08 -0.14 -0.04 2.12 2.10 2z4gA1 VAL 202 HG13 0.05 -0.01 -0.05 -0.04 0.97 0.92 2z4gA1 VAL 202 HG23 0.04 0.03 -0.32 -0.04 0.95 0.67 2z4gA1 TYR 203 H 0.17 0.47 0.28 -0.55 8.29 8.66 2z4gA1 TYR 203 HA 0.11 0.03 0.66 -0.75 4.56 4.60 2z4gA1 TYR 203 HB2 0.15 -0.06 0.26 -0.04 3.06 3.37 2z4gA1 TYR 203 HB3 0.17 -0.15 0.06 -0.04 2.98 3.01 2z4gA1 TYR 203 HD2 0.09 -0.06 -0.11 -0.04 7.15 7.03 2z4gA1 TYR 203 HE2 -0.05 0.00 -0.14 -0.04 6.85 6.62 2z4gA1 PRO 204 HA 0.27 -0.06 0.37 -0.51 4.44 4.51 2z4gA1 PRO 204 HB2 0.15 0.03 -0.05 -0.04 2.28 2.37 2z4gA1 PRO 204 HB3 0.20 -0.08 0.05 -0.04 2.02 2.16 2z4gA1 PRO 204 HG2 0.11 0.07 -0.10 -0.04 2.03 2.07 2z4gA1 PRO 204 HG3 0.12 0.09 -0.07 -0.04 2.03 2.13 2z4gA1 PRO 204 HD2 0.11 0.15 0.40 -0.04 3.68 4.30 2z4gA1 PRO 204 HD3 0.16 0.16 -0.24 -0.04 3.65 3.69 2z4gA1 ALA 205 H 0.16 0.01 0.09 -0.55 8.40 8.11 2z4gA1 ALA 205 HA 0.07 0.28 0.32 -0.75 4.34 4.25 2z4gA1 ALA 205 HB3 0.08 -0.01 0.09 -0.04 1.41 1.53 2z4gA1 PRO 206 HA 0.08 0.14 0.41 -0.51 4.44 4.55 2z4gA1 PRO 206 HB2 0.04 -0.03 0.10 -0.04 2.28 2.34 2z4gA1 PRO 206 HB3 0.05 0.11 0.07 -0.04 2.02 2.21 2z4gA1 PRO 206 HG2 0.03 0.07 0.08 -0.04 2.03 2.18 2z4gA1 PRO 206 HG3 0.04 0.09 0.06 -0.04 2.03 2.18 2z4gA1 PRO 206 HD2 0.04 0.07 0.20 -0.04 3.68 3.95 2z4gA1 PRO 206 HD3 0.04 0.20 0.16 -0.04 3.65 4.01 2z4gA1 ALA 207 H 0.04 0.11 -0.20 -0.55 8.40 7.80 2z4gA1 ALA 207 HA 0.03 0.12 0.33 -0.75 4.34 4.06 2z4gA1 ALA 207 HB3 0.02 0.00 0.02 -0.04 1.41 1.42 2z4gA1 LEU 208 H 0.06 0.12 -0.32 -0.55 8.37 7.68 2z4gA1 LEU 208 HA 0.02 0.07 0.44 -0.75 4.35 4.12 2z4gA1 LEU 208 HB2 0.09 0.06 -0.03 -0.04 1.64 1.71 2z4gA1 LEU 208 HB3 0.05 0.05 -0.04 -0.04 1.64 1.65 2z4gA1 LEU 208 HG 0.06 -0.10 -0.06 -0.04 1.64 1.50 2z4gA1 LEU 208 HD13 0.15 -0.02 -0.04 -0.04 0.93 0.98 2z4gA1 LEU 208 HD23 -0.04 0.03 -0.21 -0.04 0.89 0.62 2z4gA1 LEU 209 H 0.10 0.45 -0.27 -0.55 8.37 8.09 2z4gA1 LEU 209 HA 0.18 0.03 0.38 -0.75 4.35 4.18 2z4gA1 LEU 209 HB2 0.14 0.09 0.12 -0.04 1.64 1.95 2z4gA1 LEU 209 HB3 0.32 0.01 -0.04 -0.04 1.64 1.89 2z4gA1 LEU 209 HG 0.10 0.01 -0.20 -0.04 1.64 1.51 2z4gA1 LEU 209 HD13 0.05 -0.02 -0.16 -0.04 0.93 0.76 2z4gA1 LEU 209 HD23 -0.01 -0.01 -0.07 -0.04 0.89 0.77 2z4gA1 ARG 210 H 0.08 0.50 -0.15 -0.55 8.46 8.35 2z4gA1 ARG 210 HA -0.00 0.10 0.38 -0.75 4.34 4.07 2z4gA1 ARG 210 HB2 0.02 0.08 0.12 -0.04 1.90 2.08 2z4gA1 ARG 210 HB3 -0.01 -0.02 0.01 -0.04 1.80 1.75 2z4gA1 ARG 210 HG2 0.02 0.08 0.05 -0.04 1.67 1.77 2z4gA1 ARG 210 HG3 0.05 0.15 0.02 -0.04 1.67 1.85 2z4gA1 ARG 210 HD2 0.01 -0.09 -0.01 -0.04 3.22 3.09 2z4gA1 ARG 210 HD3 0.00 0.02 0.00 -0.04 3.22 3.20 2z4gA1 ARG 211 H 0.03 0.33 -0.21 -0.55 8.46 8.05 2z4gA1 ARG 211 HA -0.01 0.04 0.48 -0.75 4.34 4.09 2z4gA1 ARG 211 HB2 -0.00 -0.03 0.09 -0.04 1.90 1.91 2z4gA1 ARG 211 HB3 0.00 0.09 0.11 -0.04 1.80 1.97 2z4gA1 ARG 211 HG2 -0.02 -0.04 -0.04 -0.04 1.67 1.52 2z4gA1 ARG 211 HG3 -0.01 0.03 -0.19 -0.04 1.67 1.46 2z4gA1 ARG 211 HD2 -0.02 0.02 0.06 -0.04 3.22 3.24 2z4gA1 ARG 211 HD3 -0.02 -0.04 -0.01 -0.04 3.22 3.12 2z4gA1 ALA 212 H 0.07 0.56 -0.16 -0.55 8.40 8.32 2z4gA1 ALA 212 HA 0.04 -0.00 0.34 -0.75 4.34 3.96 2z4gA1 ALA 212 HB3 0.16 0.02 0.04 -0.04 1.41 1.59 2z4gA1 ARG 213 H 0.07 0.65 -0.16 -0.55 8.46 8.46 2z4gA1 ARG 213 HA -0.18 0.07 0.34 -0.75 4.34 3.81 2z4gA1 ARG 213 HB2 -0.82 0.03 0.07 -0.04 1.90 1.15 2z4gA1 ARG 213 HB3 -0.30 0.08 0.14 -0.04 1.80 1.68 2z4gA1 ARG 213 HG2 -0.45 -0.03 -0.12 -0.04 1.67 1.02 2z4gA1 ARG 213 HG3 -1.52 -0.06 -0.11 -0.04 1.67 -0.06 2z4gA1 ARG 213 HD2 -0.34 0.02 -0.12 -0.04 3.22 2.74 2z4gA1 ARG 213 HD3 -0.44 0.13 -0.08 -0.04 3.22 2.78 2z4gA1 GLU 214 H -0.08 0.46 -0.16 -0.55 8.60 8.28 2z4gA1 GLU 214 HA -0.08 0.01 0.38 -0.75 4.29 3.85 2z4gA1 GLU 214 HB2 -0.06 0.06 0.16 -0.04 2.09 2.21 2z4gA1 GLU 214 HB3 -0.04 0.06 0.06 -0.04 1.99 2.03 2z4gA1 GLU 214 HG2 -0.03 -0.08 0.02 -0.04 2.34 2.21 2z4gA1 GLU 214 HG3 -0.04 -0.00 0.04 -0.04 2.34 2.30 2z4gA1 LEU 215 H -0.02 0.36 -0.50 -0.55 8.37 7.66 2z4gA1 LEU 215 HA -0.03 0.05 0.66 -0.75 4.35 4.28 2z4gA1 LEU 215 HB2 -0.01 0.06 0.10 -0.04 1.64 1.75 2z4gA1 LEU 215 HB3 -0.02 -0.04 0.09 -0.04 1.64 1.62 2z4gA1 LEU 215 HG -0.02 0.09 -0.06 -0.04 1.64 1.61 2z4gA1 LEU 215 HD13 -0.02 -0.03 -0.20 -0.04 0.93 0.65 2z4gA1 LEU 215 HD23 -0.02 -0.01 -0.02 -0.04 0.89 0.80 2z4gA1 GLY 216 H -0.03 0.54 -0.27 -0.55 8.43 8.11 2z4gA1 GLY 216 HA2 -0.02 0.01 0.28 -0.51 4.01 3.77 2z4gA1 GLY 216 HA3 -0.04 0.03 0.48 -0.51 4.01 3.98 2z4gA1 ILE 217 H 0.01 0.39 -0.10 -0.55 8.25 8.00 2z4gA1 ILE 217 HA -0.16 0.16 0.55 -0.75 4.18 3.98 2z4gA1 ILE 217 HB 0.05 -0.10 0.01 -0.04 1.89 1.80 2z4gA1 ILE 217 HG12 -0.06 0.15 -0.15 -0.04 1.49 1.39 2z4gA1 ILE 217 HG13 -0.03 0.03 -0.19 -0.04 1.21 0.98 2z4gA1 ILE 217 HG23 -0.02 0.03 -0.18 -0.04 0.93 0.72 2z4gA1 ILE 217 HD13 -0.00 -0.02 -0.03 -0.04 0.88 0.79 2z4gA1 GLY 218 H -0.51 0.23 0.15 -0.55 8.43 7.76 2z4gA1 GLY 218 HA2 0.12 0.12 0.60 -0.51 4.01 4.33 2z4gA1 GLY 218 HA3 -0.40 0.04 0.24 -0.51 4.01 3.39 2z4gA1 LEU 219 H 0.26 0.19 0.20 -0.55 8.37 8.48 2z4gA1 LEU 219 HA 0.15 0.16 0.98 -0.75 4.35 4.88 2z4gA1 LEU 219 HB2 -0.12 -0.03 0.07 -0.04 1.64 1.53 2z4gA1 LEU 219 HB3 -0.09 -0.00 0.02 -0.04 1.64 1.52 2z4gA1 LEU 219 HG -0.34 0.05 -0.01 -0.04 1.64 1.31 2z4gA1 LEU 219 HD13 -1.34 0.00 -0.03 -0.04 0.93 -0.48 2z4gA1 LEU 219 HD23 -0.08 0.02 -0.27 -0.04 0.89 0.52 2z4gA1 VAL 220 H 0.17 0.68 0.29 -0.55 8.24 8.83 2z4gA1 VAL 220 HA 0.20 0.36 1.02 -0.75 4.13 4.96 2z4gA1 VAL 220 HB 0.23 -0.09 -0.02 -0.04 2.12 2.20 2z4gA1 VAL 220 HG13 -0.04 0.05 -0.09 -0.04 0.97 0.85 2z4gA1 VAL 220 HG23 0.23 0.00 -0.37 -0.04 0.95 0.77 2z4gA1 LEU 221 H 0.08 0.24 0.18 -0.55 8.37 8.32 2z4gA1 LEU 221 HA -0.02 0.20 0.64 -0.75 4.35 4.42 2z4gA1 LEU 221 HB2 -0.13 0.06 0.18 -0.04 1.64 1.70 2z4gA1 LEU 221 HB3 -0.64 -0.03 -0.02 -0.04 1.64 0.91 2z4gA1 LEU 221 HG -0.63 0.01 -0.02 -0.04 1.64 0.96 2z4gA1 LEU 221 HD13 -0.32 0.04 0.03 -0.04 0.93 0.64 2z4gA1 LEU 221 HD23 -0.12 -0.00 -0.07 -0.04 0.89 0.66 2z4gA1 GLY 222 H 0.12 0.68 0.46 -0.55 8.43 9.14 2z4gA1 GLY 222 HA2 0.42 -0.10 0.68 -0.51 4.01 4.50 2z4gA1 GLY 222 HA3 0.33 0.05 0.25 -0.51 4.01 4.14 2z4gA1 SER 223 H 0.27 0.12 0.25 -0.55 8.46 8.56 2z4gA1 SER 223 HA 0.33 0.15 0.90 -0.75 4.49 5.11 2z4gA1 SER 223 HB2 0.12 0.24 0.17 -0.04 3.95 4.45 2z4gA1 SER 223 HB3 -0.05 -0.13 0.19 -0.04 3.93 3.90 2z4gA1 ASP 224 H -0.01 0.35 0.20 -0.55 8.40 8.39 2z4gA1 ASP 224 HA -0.27 0.03 0.18 -0.75 4.63 3.82 2z4gA1 ASP 224 HB2 -0.09 -0.17 -0.29 -0.04 2.71 2.11 2z4gA1 ASP 224 HB3 0.09 0.09 0.31 -0.04 2.70 3.15 2z4gA1 ALA 225 H 0.10 0.10 -0.01 -0.55 8.40 8.04 2z4gA1 ALA 225 HA 0.15 0.12 0.34 -0.75 4.34 4.20 2z4gA1 ALA 225 HB3 0.16 0.03 -0.12 -0.04 1.41 1.45 2z4gA1 HIS 226 H 0.24 0.16 0.19 -0.55 8.41 8.45 2z4gA1 HIS 226 HA 0.25 0.13 0.83 -0.75 4.63 5.09 2z4gA1 HIS 226 HB2 0.09 0.01 0.11 -0.04 3.26 3.43 2z4gA1 HIS 226 HB3 0.10 0.09 0.29 -0.04 3.20 3.64 2z4gA1 HIS 226 HD2 -0.15 0.03 -0.15 -0.04 6.97 6.65 2z4gA1 HIS 226 HE1 -0.03 -0.04 -0.09 -0.04 7.75 7.55 2z4gA1 ARG 227 H 0.14 0.15 0.05 -0.55 8.46 8.25 2z4gA1 ARG 227 HA -0.05 0.49 0.59 -0.75 4.34 4.62 2z4gA1 ARG 227 HB2 -0.06 -0.06 -0.02 -0.04 1.90 1.72 2z4gA1 ARG 227 HB3 0.02 0.09 0.06 -0.04 1.80 1.92 2z4gA1 ARG 227 HG2 0.06 -0.17 -0.13 -0.04 1.67 1.39 2z4gA1 ARG 227 HG3 -0.01 -0.04 -0.09 -0.04 1.67 1.50 2z4gA1 ARG 227 HD2 0.01 0.05 -0.07 -0.04 3.22 3.16 2z4gA1 ARG 227 HD3 0.01 0.01 -0.07 -0.04 3.22 3.13 2z4gA1 PRO 228 HA -0.72 0.05 0.34 -0.51 4.44 3.61 2z4gA1 PRO 228 HB2 -0.18 0.05 -0.02 -0.04 2.28 2.08 2z4gA1 PRO 228 HB3 -0.25 0.12 -0.35 -0.04 2.02 1.50 2z4gA1 PRO 228 HG2 -0.17 -0.02 0.03 -0.04 2.03 1.83 2z4gA1 PRO 228 HG3 -0.62 0.06 -0.03 -0.04 2.03 1.40 2z4gA1 PRO 228 HD2 -0.19 0.07 0.08 -0.04 3.68 3.60 2z4gA1 PRO 228 HD3 -0.31 0.49 0.15 -0.04 3.65 3.94 2z4gA1 GLU 229 H -0.11 0.09 -0.24 -0.55 8.60 7.79 2z4gA1 GLU 229 HA -0.04 0.12 0.34 -0.75 4.29 3.97 2z4gA1 GLU 229 HB2 0.01 0.06 0.08 -0.04 2.09 2.20 2z4gA1 GLU 229 HB3 -0.03 -0.01 0.06 -0.04 1.99 1.98 2z4gA1 GLU 229 HG2 -0.02 -0.00 -0.16 -0.04 2.34 2.11 2z4gA1 GLU 229 HG3 -0.00 0.05 -0.08 -0.04 2.34 2.27 2z4gA1 GLU 230 H -0.03 0.39 -0.45 -0.55 8.60 7.96 2z4gA1 GLU 230 HA 0.12 0.21 0.73 -0.75 4.29 4.60 2z4gA1 GLU 230 HB2 0.07 -0.13 0.01 -0.04 2.09 2.00 2z4gA1 GLU 230 HB3 0.00 0.05 0.08 -0.04 1.99 2.08 2z4gA1 GLU 230 HG2 -0.03 0.08 -0.14 -0.04 2.34 2.21 2z4gA1 GLU 230 HG3 0.00 -0.00 -0.01 -0.04 2.34 2.29 2z4gA1 VAL 231 H -0.01 0.46 -0.08 -0.55 8.24 8.05 2z4gA1 VAL 231 HA -0.04 -0.12 0.52 -0.75 4.13 3.74 2z4gA1 VAL 231 HB -0.04 0.11 0.07 -0.04 2.12 2.22 2z4gA1 VAL 231 HG13 -0.09 0.00 -0.13 -0.04 0.97 0.71 2z4gA1 VAL 231 HG23 0.13 0.01 0.09 -0.04 0.95 1.15 2z4gA1 GLY 232 H -0.47 0.00 0.17 -0.55 8.43 7.59 2z4gA1 GLY 232 HA2 -2.11 -0.01 0.25 -0.51 4.01 1.62 2z4gA1 GLY 232 HA3 -0.55 0.15 0.31 -0.51 4.01 3.41 2z4gA1 PHE 233 H -0.07 0.36 -0.46 -0.55 8.34 7.62 2z4gA1 PHE 233 HA -0.06 0.03 0.26 -0.75 4.62 4.10 2z4gA1 PHE 233 HB2 -0.03 0.12 0.13 -0.04 3.15 3.33 2z4gA1 PHE 233 HB3 0.03 -0.09 0.11 -0.04 3.06 3.06 2z4gA1 PHE 233 HD2 0.03 0.02 -0.10 -0.04 7.28 7.19 2z4gA1 PHE 233 HE2 0.02 -0.00 -0.09 -0.04 7.38 7.27 2z4gA1 PHE 233 HZ 0.02 0.03 -0.08 -0.04 7.32 7.25 2z4gA1 ALA 234 H -0.57 0.16 0.21 -0.55 8.40 7.65 2z4gA1 ALA 234 HA -0.24 -0.00 0.37 -0.75 4.34 3.71 2z4gA1 ALA 234 HB3 -0.29 0.03 0.01 -0.04 1.41 1.12 2z4gA1 PHE 235 H 0.16 0.63 -0.20 -0.55 8.34 8.38 2z4gA1 PHE 235 HA 0.01 0.00 0.36 -0.75 4.62 4.24 2z4gA1 PHE 235 HB2 -0.02 0.15 0.12 -0.04 3.15 3.36 2z4gA1 PHE 235 HB3 0.01 0.02 -0.02 -0.04 3.06 3.03 2z4gA1 PHE 235 HD2 0.02 0.13 -0.29 -0.04 7.28 7.11 2z4gA1 PHE 235 HE2 0.06 0.08 -0.33 -0.04 7.38 7.15 2z4gA1 PHE 235 HZ 0.07 -0.26 -0.15 -0.04 7.32 6.93 2z4gA1 PRO 236 HA 0.05 0.10 0.36 -0.51 4.44 4.43 2z4gA1 PRO 236 HB2 -0.00 -0.04 0.05 -0.04 2.28 2.24 2z4gA1 PRO 236 HB3 0.01 0.07 0.05 -0.04 2.02 2.11 2z4gA1 PRO 236 HG2 -0.00 0.06 0.05 -0.04 2.03 2.10 2z4gA1 PRO 236 HG3 0.04 0.13 0.04 -0.04 2.03 2.19 2z4gA1 PRO 236 HD2 -0.00 -0.04 -0.00 -0.04 3.68 3.59 2z4gA1 PRO 236 HD3 0.10 0.18 0.13 -0.04 3.65 4.02 2z4gA1 GLU 237 H -0.01 0.11 -0.22 -0.55 8.60 7.93 2z4gA1 GLU 237 HA 0.00 0.04 0.36 -0.75 4.29 3.94 2z4gA1 GLU 237 HB2 -0.03 -0.02 0.10 -0.04 2.09 2.10 2z4gA1 GLU 237 HB3 -0.02 0.10 0.15 -0.04 1.99 2.18 2z4gA1 GLU 237 HG2 0.01 -0.01 -0.17 -0.04 2.34 2.12 2z4gA1 GLU 237 HG3 0.00 -0.01 0.02 -0.04 2.34 2.31 2z4gA1 VAL 238 H 0.03 0.59 -0.17 -0.55 8.24 8.14 2z4gA1 VAL 238 HA 0.01 -0.01 0.42 -0.75 4.13 3.80 2z4gA1 VAL 238 HB -0.02 0.09 0.09 -0.04 2.12 2.24 2z4gA1 VAL 238 HG13 -0.03 -0.02 -0.12 -0.04 0.97 0.76 2z4gA1 VAL 238 HG23 0.06 0.01 -0.01 -0.04 0.95 0.97 2z4gA1 GLN 239 H -0.00 0.83 0.03 -0.55 8.47 8.78 2z4gA1 GLN 239 HA -0.03 0.00 0.42 -0.75 4.36 4.00 2z4gA1 GLN 239 HB2 0.02 0.06 0.10 -0.04 2.15 2.29 2z4gA1 GLN 239 HB3 0.02 -0.04 0.04 -0.04 2.02 2.00 2z4gA1 GLN 239 HG2 -0.06 -0.09 0.01 -0.04 2.40 2.22 2z4gA1 GLN 239 HG3 0.01 0.28 0.00 -0.04 2.39 2.64 2z4gA1 GLN 239 HE21 0.10 0.11 -0.04 -0.04 6.97 7.11 2z4gA1 GLN 239 HE22 0.01 -0.09 -0.05 -0.04 7.69 7.52 2z4gA1 ALA 240 H 0.01 0.48 -0.25 -0.55 8.40 8.10 2z4gA1 ALA 240 HA 0.02 0.03 0.39 -0.75 4.34 4.02 2z4gA1 ALA 240 HB3 0.01 0.03 0.09 -0.04 1.41 1.51 2z4gA1 LEU 241 H 0.02 0.47 -0.09 -0.55 8.37 8.22 2z4gA1 LEU 241 HA 0.03 0.01 0.42 -0.75 4.35 4.05 2z4gA1 LEU 241 HB2 0.02 0.02 0.11 -0.04 1.64 1.75 2z4gA1 LEU 241 HB3 0.02 0.09 0.18 -0.04 1.64 1.89 2z4gA1 LEU 241 HG 0.05 -0.03 0.00 -0.04 1.64 1.62 2z4gA1 LEU 241 HD13 0.03 -0.02 0.00 -0.04 0.93 0.90 2z4gA1 LEU 241 HD23 0.04 -0.01 -0.16 -0.04 0.89 0.72 2z4gA1 LEU 242 H 0.01 0.65 -0.08 -0.55 8.37 8.41 2z4gA1 LEU 242 HA 0.12 -0.03 0.33 -0.75 4.35 4.02 2z4gA1 LEU 242 HB2 -0.03 0.12 0.10 -0.04 1.64 1.78 2z4gA1 LEU 242 HB3 -0.12 -0.04 -0.01 -0.04 1.64 1.43 2z4gA1 LEU 242 HG -0.05 0.27 0.07 -0.04 1.64 1.90 2z4gA1 LEU 242 HD13 -0.16 -0.02 -0.08 -0.04 0.93 0.62 2z4gA1 LEU 242 HD23 -0.16 -0.03 -0.06 -0.04 0.89 0.60 2z4gA1 ALA 243 H 0.05 0.60 -0.15 -0.55 8.40 8.34 2z4gA1 ALA 243 HA 0.09 0.41 0.50 -0.75 4.34 4.59 2z4gA1 ALA 243 HB3 0.03 -0.02 0.11 -0.04 1.41 1.49 2z4gA1 GLY 244 H 0.05 0.65 -0.18 -0.55 8.43 8.40 2z4gA1 GLY 244 HA2 0.03 -0.02 0.43 -0.51 4.01 3.94 2z4gA1 GLY 244 HA3 0.04 -0.01 0.34 -0.51 4.01 3.87 2z4gA1 LEU 245 H 0.11 0.45 -0.25 -0.55 8.37 8.14 2z4gA1 LEU 245 HA 0.04 -0.00 0.53 -0.75 4.35 4.16 2z4gA1 LEU 245 HB2 0.29 0.12 0.06 -0.04 1.64 2.08 2z4gA1 LEU 245 HB3 0.10 -0.08 0.05 -0.04 1.64 1.67 2z4gA1 LEU 245 HG 0.11 0.19 -0.04 -0.04 1.64 1.87 2z4gA1 LEU 245 HD13 0.20 -0.04 -0.06 -0.04 0.93 0.99 2z4gA1 LEU 245 HD23 0.06 -0.03 -0.03 -0.04 0.89 0.84 2z4gA1 GLY 246 H 0.06 0.37 -0.60 -0.55 8.43 7.72 2z4gA1 GLY 246 HA2 -0.02 0.02 0.25 -0.51 4.01 3.74 2z4gA1 GLY 246 HA3 -0.10 0.12 0.89 -0.51 4.01 4.41 2z4gA1 PHE 247 H 0.25 0.41 0.08 -0.55 8.34 8.52 2z4gA1 PHE 247 HA -0.01 0.04 0.58 -0.75 4.62 4.47 2z4gA1 PHE 247 HB2 -0.01 0.01 -0.10 -0.04 3.15 3.01 2z4gA1 PHE 247 HB3 -0.02 0.04 -0.01 -0.04 3.06 3.03 2z4gA1 PHE 247 HD2 0.02 0.07 0.05 -0.04 7.28 7.37 2z4gA1 PHE 247 HE2 0.02 0.10 -0.08 -0.04 7.38 7.38 2z4gA1 PHE 247 HZ 0.02 0.02 -0.03 -0.04 7.32 7.29 2z4gA1 ARG 248 H 0.11 0.06 0.24 -0.55 8.46 8.32 2z4gA1 ARG 248 HA 0.02 0.24 0.94 -0.75 4.34 4.79 2z4gA1 ARG 248 HB2 0.01 -0.01 0.10 -0.04 1.90 1.95 2z4gA1 ARG 248 HB3 -0.01 -0.05 0.08 -0.04 1.80 1.77 2z4gA1 ARG 248 HG2 0.00 0.19 -0.23 -0.04 1.67 1.59 2z4gA1 ARG 248 HG3 -0.01 -0.05 -0.01 -0.04 1.67 1.56 2z4gA1 ARG 248 HD2 -0.00 -0.08 0.03 -0.04 3.22 3.14 2z4gA1 ARG 248 HD3 0.01 0.13 0.02 -0.04 3.22 3.34 2z4gA1 GLU 249 H 0.03 0.16 0.22 -0.55 8.60 8.46 2z4gA1 GLU 249 HA -0.26 0.20 0.95 -0.75 4.29 4.43 2z4gA1 GLU 249 HB2 -0.22 -0.04 -0.05 -0.04 2.09 1.74 2z4gA1 GLU 249 HB3 -0.46 0.06 0.08 -0.04 1.99 1.63 2z4gA1 GLU 249 HG2 -0.14 0.03 -0.18 -0.04 2.34 2.01 2z4gA1 GLU 249 HG3 -0.07 -0.10 -0.32 -0.04 2.34 1.81 2z4gA1 ALA 250 H -0.87 0.69 0.34 -0.55 8.40 8.01 2z4gA1 ALA 250 HA -0.09 0.06 0.73 -0.75 4.34 4.30 2z4gA1 ALA 250 HB3 -0.32 0.00 0.02 -0.04 1.41 1.07 2z4gA1 TYR 251 H 0.32 0.75 0.42 -0.55 8.29 9.23 2z4gA1 TYR 251 HA 0.12 0.39 1.16 -0.75 4.56 5.47 2z4gA1 TYR 251 HB2 0.04 -0.03 -0.15 -0.04 3.06 2.88 2z4gA1 TYR 251 HB3 -0.24 -0.06 -0.08 -0.04 2.98 2.57 2z4gA1 TYR 251 HD2 0.04 0.00 -0.27 -0.04 7.15 6.88 2z4gA1 TYR 251 HE2 0.06 0.02 -0.12 -0.04 6.85 6.77 2z4gA1 TYR 252 H -0.16 0.55 0.33 -0.55 8.29 8.46 2z4gA1 TYR 252 HA -0.04 0.04 0.52 -0.75 4.56 4.32 2z4gA1 TYR 252 HB2 -0.00 -0.06 0.01 -0.04 3.06 2.97 2z4gA1 TYR 252 HB3 0.03 0.08 -0.10 -0.04 2.98 2.95 2z4gA1 TYR 252 HD2 -0.07 0.04 -0.29 -0.04 7.15 6.79 2z4gA1 TYR 252 HE2 -0.35 0.01 -0.17 -0.04 6.85 6.31 2z4gA1 PHE 253 H 0.04 0.09 0.03 -0.55 8.34 7.94 2z4gA1 PHE 253 HA -0.25 0.33 0.74 -0.75 4.62 4.69 2z4gA1 PHE 253 HB2 -0.38 -0.14 -0.04 -0.04 3.15 2.55 2z4gA1 PHE 253 HB3 -0.13 0.30 -0.15 -0.04 3.06 3.05 2z4gA1 PHE 253 HD2 -0.56 -0.05 -0.37 -0.04 7.28 6.26 2z4gA1 PHE 253 HE2 -0.72 0.09 -0.18 -0.04 7.38 6.53 2z4gA1 PHE 253 HZ -0.80 0.14 -0.06 -0.04 7.32 6.56 2z4gA1 VAL 254 H -0.16 0.85 0.24 -0.55 8.24 8.62 2z4gA1 VAL 254 HA 0.16 0.03 0.81 -0.75 4.13 4.38 2z4gA1 VAL 254 HB -0.18 0.07 0.07 -0.04 2.12 2.04 2z4gA1 VAL 254 HG13 -0.06 -0.01 -0.11 -0.04 0.97 0.75 2z4gA1 VAL 254 HG23 -0.45 -0.00 -0.25 -0.04 0.95 0.21 2z4gA1 GLU 255 H 0.16 0.08 0.15 -0.55 8.60 8.44 2z4gA1 GLU 255 HA 0.11 0.10 0.29 -0.75 4.29 4.02 2z4gA1 GLU 255 HB2 0.01 0.13 -0.04 -0.04 2.09 2.15 2z4gA1 GLU 255 HB3 0.03 0.02 0.21 -0.04 1.99 2.21 2z4gA1 GLU 255 HG2 0.04 0.05 0.06 -0.04 2.34 2.45 2z4gA1 GLU 255 HG3 0.05 -0.09 -0.07 -0.04 2.34 2.19 2z4gA1 GLY 256 H 0.16 0.31 -0.14 -0.55 8.43 8.22 2z4gA1 GLY 256 HA2 -0.01 0.00 0.23 -0.51 4.01 3.71 2z4gA1 GLY 256 HA3 0.19 0.08 0.33 -0.51 4.01 4.09 2z4gA1 SER 257 H -0.06 0.47 -0.31 -0.55 8.46 8.02 2z4gA1 SER 257 HA -0.16 0.22 0.91 -0.75 4.49 4.71 2z4gA1 SER 257 HB2 -0.13 -0.01 0.05 -0.04 3.95 3.81 2z4gA1 SER 257 HB3 -0.13 0.01 0.07 -0.04 3.93 3.84 2z4gA1 PRO 258 HA -1.26 0.09 0.44 -0.51 4.44 3.20 2z4gA1 PRO 258 HB2 -0.49 -0.01 -0.14 -0.04 2.28 1.60 2z4gA1 PRO 258 HB3 -1.89 0.00 -0.06 -0.04 2.02 0.04 2z4gA1 PRO 258 HG2 -0.18 -0.00 0.10 -0.04 2.03 1.91 2z4gA1 PRO 258 HG3 -0.07 0.10 0.05 -0.04 2.03 2.07 2z4gA1 PRO 258 HD2 -0.23 0.10 0.25 -0.04 3.68 3.75 2z4gA1 PRO 258 HD3 -0.48 0.20 0.14 -0.04 3.65 3.48 2z4gA1 VAL 259 H -0.53 0.69 0.37 -0.55 8.24 8.22 2z4gA1 VAL 259 HA -0.24 0.11 0.90 -0.75 4.13 4.15 2z4gA1 VAL 259 HB -1.30 -0.03 0.15 -0.04 2.12 0.90 2z4gA1 VAL 259 HG13 -0.30 0.02 -0.06 -0.04 0.97 0.59 2z4gA1 VAL 259 HG23 -0.42 0.01 -0.11 -0.04 0.95 0.39 2z4gA1 ALA 260 H -0.10 0.11 0.13 -0.55 8.40 7.99 2z4gA1 ALA 260 HA -0.51 0.24 0.73 -0.75 4.34 4.05 2z4gA1 ALA 260 HB3 -0.30 -0.02 0.03 -0.04 1.41 1.08 2z4gA1 TYR 261 H -0.52 0.49 0.38 -0.55 8.29 8.09 2z4gA1 TYR 261 HA -0.07 0.09 0.57 -0.75 4.56 4.39 2z4gA1 TYR 261 HB2 0.01 0.01 0.12 -0.04 3.06 3.15 2z4gA1 TYR 261 HB3 0.04 0.08 -0.17 -0.04 2.98 2.88 2z4gA1 TYR 261 HD2 0.03 0.11 -0.14 -0.04 7.15 7.10 2z4gA1 TYR 261 HE2 0.06 -0.03 -0.26 -0.04 6.85 6.58 2z4gA1 PRO 262 HA -0.11 0.20 0.71 -0.51 4.44 4.73 2z4gA1 PRO 262 HB2 0.00 0.05 0.00 -0.04 2.28 2.29 2z4gA1 PRO 262 HB3 -0.01 -0.01 0.14 -0.04 2.02 2.10 2z4gA1 PRO 262 HG2 0.09 0.02 0.09 -0.04 2.03 2.19 2z4gA1 PRO 262 HG3 0.04 0.02 0.08 -0.04 2.03 2.12 2z4gA1 PRO 262 HD2 0.15 0.11 0.25 -0.04 3.68 4.15 2z4gA1 PRO 262 HD3 0.02 0.11 0.18 -0.04 3.65 3.92 2z4gA1 LEU 263 H -0.07 0.79 0.15 -0.55 8.37 8.70 2z4gA1 LEU 263 HA -0.02 0.18 0.50 -0.75 4.35 4.25 2z4gA1 LEU 263 HB2 -0.03 0.03 -0.27 -0.04 1.64 1.34 2z4gA1 LEU 263 HB3 -0.01 0.02 -0.04 -0.04 1.64 1.57 2z4gA1 LEU 263 HG -0.19 -0.09 -0.56 -0.04 1.64 0.76 2z4gA1 LEU 263 HD13 -0.02 -0.01 -0.33 -0.04 0.93 0.53 2z4gA1 LEU 263 HD23 -0.05 0.01 -0.09 -0.04 0.89 0.72