NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.0205 0.0000 0.0000 61.4124 32.8294 177.5143 7 D 4.0372 6.6405 118.1132 52.5907 40.7910 173.4298 8 Y 4.7964 8.8143 125.3539 57.6395 39.6453 178.2209 9 T 4.0865 7.9644 117.7574 64.3526 67.0456 174.5084 10 S 4.3097 8.0919 122.6100 57.0755 64.4777 173.9756 11 F 4.7794 7.3267 112.3619 56.9285 39.2230 173.5336 12 N 5.0781 9.8166 120.9195 53.3435 40.4319 175.1473 13 T 4.8006 7.8916 108.1068 59.1020 73.2367 174.7115 14 V 3.3975 7.9922 120.6482 66.2775 31.4650 177.8747 15 D 4.3461 8.0932 118.1333 57.5131 40.6289 178.5152 16 E 4.0661 8.2769 119.0983 58.8801 29.4182 179.2627 17 W 3.1243 8.2010 128.4958 60.0071 30.7245 177.9939 18 L 2.8350 7.5799 118.8557 57.5001 40.9463 179.3931 19 E 3.7531 7.9202 118.0778 59.3190 29.1763 179.1617 20 A 4.0430 7.8394 120.0641 54.7740 18.4317 178.6954 21 I 4.0477 7.0690 108.7479 60.1387 37.9249 175.8967 22 K 3.7951 7.9085 117.7497 58.4060 29.9043 175.8489 23 M 4.5429 8.0840 116.9628 54.7980 32.5966 178.4323 24 G 3.6808 8.0207 111.3240 48.5316 0.0000 176.2703 25 Q 3.7602 7.7168 116.4161 58.3989 28.7122 177.0649 26 Y 4.7020 7.8273 116.3329 57.7341 38.2370 177.1797 27 K 3.8903 7.9970 122.7104 59.8237 32.1264 179.0361 28 E 4.0639 8.1634 118.1043 59.4279 29.4809 179.2676 29 S 4.2338 8.2786 114.7456 61.7223 62.9002 176.5549 30 F 4.1437 8.8331 120.0661 60.6262 38.7606 177.4353 31 A 4.0877 8.1243 119.8198 55.5879 18.0364 179.5064 32 N 4.4350 8.8901 113.1038 55.4681 38.6990 176.5295 33 A 4.4413 7.7106 119.9413 51.8657 19.2842 177.8958 34 G 3.6842 7.9499 105.9381 45.2106 0.0000 175.1323 35 F 4.3153 7.8353 120.2464 56.1433 37.1973 175.3069 36 T 4.6037 7.9347 109.9750 60.8716 69.7919 175.5338 37 S 4.5202 7.4750 116.4001 56.0671 67.4895 174.7707 38 F 4.1452 8.4225 121.6729 60.5455 38.4361 177.6776 39 D 4.4558 8.1707 118.1156 57.2330 40.9678 178.4026 40 V 3.9646 7.6540 119.4700 64.1778 31.8633 178.6011 41 V 3.6946 8.1147 119.3696 65.8366 31.1876 178.0941 42 S 4.1721 8.5286 112.3124 60.6495 62.8249 174.8165 43 Q 4.3983 7.7039 118.3534 55.9824 29.1467 175.9479 44 M 4.2290 7.7469 118.5905 55.8007 32.5954 175.3364 45 M 4.8140 8.7967 121.5140 53.0668 35.7061 176.2997 46 M 4.0205 8.5094 117.6775 58.9730 32.1047 177.8213 47 E 3.9289 8.1096 117.4392 59.4481 29.6974 178.8478 48 D 4.2332 7.9476 119.8475 56.9242 40.8570 178.5509 49 I 3.4268 7.4872 119.8181 64.5065 37.1622 178.3262 50 L 3.9578 7.9845 119.6807 57.6795 41.1494 179.6002 51 R 3.9505 7.5979 118.0509 59.1486 30.0160 177.9498 52 V 4.1603 7.4529 110.1511 61.1212 31.6084 176.5754 53 G 3.7637 7.8309 105.7858 46.2554 0.0000 174.6377 54 V 3.8285 7.4460 120.2162 61.5898 30.6929 175.2806 55 T 4.2972 8.2479 124.2987 64.9218 69.7785 176.7907 56 L 4.0674 7.7659 121.9029 54.4166 42.9107 177.9249 57 A 4.2580 8.7595 125.7823 55.1727 18.4294 179.9193 58 G 3.5997 7.9906 104.0053 48.0718 0.0000 175.6740 59 H 4.3919 8.1020 118.0282 58.7472 28.8604 177.5125 60 Q 3.9841 8.2662 119.9932 59.0918 28.5035 179.3331 61 K 4.0085 8.1502 119.3976 59.0286 32.0990 179.3724 62 K 3.9203 8.0170 119.8539 59.5937 32.1754 178.8657 63 I 3.8101 8.0841 120.3197 64.6058 37.0146 178.5343 64 L 4.0703 8.2939 120.0792 57.7669 41.4025 179.1817 65 N 4.3578 8.5199 117.2745 56.7532 38.8256 177.1990 66 S 4.3824 8.3694 116.6642 61.6286 62.9296 176.8151 67 I 3.7149 8.1832 122.6952 64.3271 36.8644 178.1034 68 Q 3.9906 8.3469 120.7787 59.3420 28.9436 178.7139 69 V 3.6256 8.4789 119.5368 65.9686 31.5470 177.6975 70 M 3.9611 8.2915 118.3007 58.7818 32.0407 178.4043 71 R 3.9073 8.5039 118.3344 59.2238 30.2243 178.8813 72 A 3.9687 8.0208 120.5863 55.2452 18.3425 179.5159 73 Q 3.9202 8.0558 117.8903 59.5381 29.2285 178.3129 74 M 4.0999 8.0437 119.8679 58.3328 31.7242 178.4613 75 N 4.4433 8.1928 116.2873 56.1132 38.9211 177.2755 76 Q 4.0818 8.0904 119.7925 58.9798 28.6792 178.3606 77 I 3.6702 7.5719 120.2255 64.9555 37.2967 178.1109 78 Q 4.1777 7.8978 117.3227 57.9226 28.6945 176.7879 79 S 4.4177 8.3676 119.9316 58.8684 63.0433 173.9558 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 6 P 0.00 4.02 0.00 1.98 2.11 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.11 0.00 7 D 6.64 4.04 0.00 2.69 2.49 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 8 Y 8.81 4.80 0.00 3.04 2.95 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 T 7.96 4.09 4.46 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 1.40 0.00 0.00 10 S 8.09 4.31 0.00 3.86 3.73 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 11 F 7.33 4.78 0.00 3.18 3.10 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 12 N 9.82 5.08 0.00 2.83 2.99 0.00 0.00 6.79 7.45 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 13 T 7.89 4.80 4.28 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 1.28 0.00 0.00 14 V 7.99 3.40 2.03 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 1.31 0.00 0.00 0.44 0.00 0.00 15 D 8.09 4.35 0.00 2.75 2.70 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 16 E 8.28 4.07 0.00 2.41 2.21 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 2.41 2.41 0.00 17 W 8.20 3.12 0.00 2.71 3.36 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 18 L 7.58 2.83 0.00 1.55 1.41 0.29 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.92 3.75 0.00 2.09 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 2.23 2.55 0.00 20 A 7.84 4.04 1.33 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 0.00 0.00 0.00 21 I 7.07 4.05 1.67 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.23 0.71 0.00 0.00 22 K 7.91 3.80 0.00 1.80 1.86 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.30 7.81 23 M 8.08 4.54 0.00 1.98 1.63 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 24 G 8.02 3.68 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 25 Q 7.72 3.76 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.08 0.00 0.00 0.00 0.00 0.00 1.32 1.16 0.00 26 Y 7.83 4.70 0.00 2.93 3.22 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 27 K 8.00 3.89 0.00 1.76 1.86 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.52 7.81 28 E 8.16 4.06 0.00 2.05 2.05 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 2.43 2.43 0.00 29 S 8.28 4.23 0.00 4.32 4.22 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 30 F 8.83 4.14 0.00 3.41 3.30 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 31 A 8.12 4.09 1.48 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 32 N 8.89 4.43 0.00 2.72 2.93 0.00 0.00 7.03 7.99 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 33 A 7.71 4.44 1.48 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 34 G 7.95 3.68 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 35 F 7.84 4.32 0.00 3.24 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 36 T 7.93 4.60 4.23 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 1.22 0.00 0.00 37 S 7.47 4.52 0.00 4.13 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 38 F 8.42 4.15 0.00 3.12 3.03 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 39 D 8.17 4.46 0.00 2.65 2.76 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 40 V 7.65 3.96 2.09 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 0.88 0.00 0.00 1.03 0.00 0.00 41 V 8.11 3.69 2.11 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 0.72 0.00 0.00 1.19 0.00 0.00 42 S 8.53 4.17 0.00 3.96 4.07 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 43 Q 7.70 4.40 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 44 M 7.75 4.23 0.00 1.78 1.98 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 1.78 0.00 45 M 8.80 4.81 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.73 0.00 46 M 8.51 4.02 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 47 E 8.11 3.93 0.00 2.22 2.18 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 2.34 2.38 0.00 48 D 7.95 4.23 0.00 2.53 2.18 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 49 I 7.49 3.43 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.76 0.81 0.00 0.00 50 L 7.98 3.96 0.00 1.78 1.68 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.60 3.95 0.00 1.94 2.07 0.00 3.52 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 52 V 7.45 4.16 2.01 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 0.60 0.00 0.00 0.52 0.00 0.00 53 G 7.83 3.76 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 54 V 7.45 3.83 1.83 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 0.57 0.00 0.00 -0.06 0.00 0.00 55 T 8.25 4.30 4.27 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 56 L 7.77 4.07 0.00 1.55 1.47 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.76 4.26 1.31 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 58 G 7.99 3.60 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 59 H 8.10 4.39 0.00 3.35 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.27 3.98 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 61 K 8.15 4.01 0.00 1.83 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.57 7.81 62 K 8.02 3.92 0.00 2.04 1.90 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.48 7.81 63 I 8.08 3.81 1.97 0.00 0.00 0.78 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 0.59 1.19 0.00 0.00 64 L 8.29 4.07 0.00 1.76 1.74 0.92 0.64 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 65 N 8.52 4.36 0.00 2.92 2.88 0.00 0.00 7.18 7.25 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 66 S 8.37 4.38 0.00 4.44 4.38 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 67 I 8.18 3.71 2.12 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.92 0.00 0.00 68 Q 8.35 3.99 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 69 V 8.48 3.63 2.28 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 0.98 0.00 0.00 1.00 0.00 0.00 70 M 8.29 3.96 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 71 R 8.50 3.91 0.00 1.97 1.96 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 72 A 8.02 3.97 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 73 Q 8.06 3.92 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 74 M 8.04 4.10 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 75 N 8.19 4.44 0.00 2.89 2.87 0.00 0.00 7.07 8.46 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 76 Q 8.09 4.08 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 77 I 7.57 3.67 1.99 0.00 0.00 0.82 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 0.53 0.90 0.00 0.00 78 Q 7.90 4.18 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 79 S 8.37 4.42 0.00 3.97 4.05 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