NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.1101 7.8827 120.7865 61.0181 40.4022 177.4178 5 N 4.2090 8.0282 118.4261 56.0789 38.8718 173.5617 6 E 4.0799 8.9197 120.7173 59.2592 30.0511 178.7808 7 T 3.9201 7.7665 115.6193 66.3870 68.6099 176.4374 8 A 4.0276 7.8779 122.5719 55.2798 18.3282 179.4486 9 D 4.3425 8.0462 117.0862 57.4077 40.7825 178.4890 10 D 4.3821 8.2544 118.5513 57.3761 41.2785 178.3431 11 I 3.6984 7.8527 120.2102 64.4483 37.1737 178.5447 12 V 3.5944 7.8845 118.9514 66.0893 31.3595 177.3427 13 Y 4.0289 8.3801 119.4541 60.8931 38.4416 178.1171 14 R 3.7759 8.3207 119.1093 59.4344 30.1499 179.1238 15 L 4.0244 8.0193 118.4431 57.7127 41.5710 179.6335 16 T 3.8177 7.8482 116.0765 66.4136 68.3223 176.7691 17 V 3.4378 7.5169 120.1661 66.0495 31.5016 178.2552 18 I 3.7335 7.3893 119.2316 64.2806 36.8751 178.4321 19 I 3.7270 8.0704 121.0982 64.5481 36.8569 178.2258 20 D 4.4178 8.4966 120.1172 57.2946 40.6740 178.3063 21 D 4.3231 8.1195 118.5267 57.6176 41.2827 178.6769 22 R 3.9673 8.1283 118.5119 59.0953 29.9179 178.3958 23 Y 4.0877 8.3294 119.6775 60.8818 38.7822 178.0534 24 E 3.6046 8.5052 119.7057 59.4041 29.4831 179.6000 25 S 4.0544 7.9380 115.0453 61.5760 62.8173 176.8043 26 L 3.9267 7.9439 121.7065 57.4293 41.3520 179.3663 27 K 3.7167 7.9036 119.9203 59.4244 32.0194 178.3577 28 N 4.2231 8.1881 117.4194 56.4374 38.7928 176.4937 29 L 3.8889 7.9597 121.7315 58.2802 42.1578 178.9399 30 I 3.6676 7.9742 119.9730 64.7045 36.9683 178.6044 31 T 3.8298 7.9155 116.3201 66.6612 68.3000 176.7832 32 L 3.9646 8.2219 121.2345 57.9519 41.6111 179.9181 33 R 3.9165 8.3788 118.1529 59.0218 29.9473 179.0261 34 A 3.9713 8.2360 120.8104 55.1494 18.4015 179.3042 35 D 4.2899 8.2941 117.6621 57.5796 40.8543 179.0698 36 R 3.8821 8.1065 119.0484 59.4867 29.9992 178.5410 37 L 3.9772 8.1054 118.8008 57.7931 41.5256 179.3476 38 E 3.9381 8.3551 118.6160 59.5370 29.3204 179.0788 39 M 3.9990 8.0604 118.1662 58.7641 32.3473 178.3329 40 I 3.7081 7.9798 120.0976 64.3172 37.2038 178.5192 41 I 3.6864 8.0067 120.7976 64.5767 36.9711 178.2891 42 N 4.3403 8.3328 117.3657 56.3770 38.4756 177.2565 43 D 4.3522 8.4491 120.6505 57.5228 40.9325 178.6671 44 N 4.3701 8.2266 116.9885 56.2547 38.4693 177.7119 45 V 3.6167 8.0257 119.8055 65.9967 31.5587 178.2132 46 S 4.1347 8.2712 115.0411 61.9456 62.4475 176.8071 47 T 3.8670 7.5590 116.8295 66.6571 68.5151 176.4813 48 I 3.8653 7.7190 121.6379 64.4692 36.8113 178.5553 49 L 4.0126 8.3639 119.9953 57.5951 41.2185 179.0709 50 A 4.2399 8.1156 119.0939 53.7675 18.6025 178.6141 51 S 4.5717 8.1930 111.9221 57.7168 63.6701 174.4506 52 G 3.7530 7.3523 114.6974 45.4067 0.0000 173.8204 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 I 7.88 4.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.28 0.91 0.00 0.00 5 N 8.03 4.21 0.00 2.88 2.79 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.92 4.08 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 7 T 7.77 3.92 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 8 A 7.88 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.05 4.34 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.25 4.38 0.00 2.90 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.85 3.70 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.92 0.00 0.00 12 V 7.88 3.59 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.02 0.00 0.00 13 Y 8.38 4.03 0.00 3.14 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.32 3.78 0.00 1.96 1.97 0.00 3.50 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.97 0.00 15 L 8.02 4.02 0.00 1.77 1.68 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.85 3.82 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 17 V 7.52 3.44 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.28 0.00 0.00 18 I 7.39 3.73 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 0.90 0.00 0.00 19 I 8.07 3.73 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.77 0.89 0.00 0.00 20 D 8.50 4.42 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.12 4.32 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.13 3.97 0.00 1.91 1.98 0.00 3.35 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 23 Y 8.33 4.09 0.00 3.09 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.51 3.60 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 25 S 7.94 4.05 0.00 4.02 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.94 3.93 0.00 1.74 1.65 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.90 3.72 0.00 1.22 1.60 0.00 1.59 0.00 0.00 1.38 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.31 7.81 28 N 8.19 4.22 0.00 2.84 2.88 0.00 0.00 6.89 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.96 3.89 0.00 1.84 1.78 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.97 3.67 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.50 0.89 0.00 0.00 31 T 7.92 3.83 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 32 L 8.22 3.96 0.00 1.67 1.70 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.38 3.92 0.00 1.88 1.96 0.00 3.28 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 34 A 8.24 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.29 4.29 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.11 3.88 0.00 1.95 2.09 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 37 L 8.11 3.98 0.00 1.94 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.36 3.94 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 39 M 8.06 4.00 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 40 I 7.98 3.71 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.77 0.91 0.00 0.00 41 I 8.01 3.69 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.75 0.91 0.00 0.00 42 N 8.33 4.34 0.00 2.72 2.86 0.00 0.00 7.11 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.45 4.35 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.23 4.37 0.00 2.98 2.86 0.00 0.00 6.69 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.03 3.62 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.99 0.00 0.00 46 S 8.27 4.13 0.00 4.08 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.56 3.87 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 48 I 7.72 3.87 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.09 0.91 0.00 0.00 49 L 8.36 4.01 0.00 1.80 1.72 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.12 4.24 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.19 4.57 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.35 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00