NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 61 H 4.7515 8.4444 120.3918 55.9246 31.9010 174.0740 62 M 4.1675 7.8282 118.9138 54.5099 30.0326 172.3666 63 D 5.0203 7.2353 119.9494 51.5505 46.3745 175.3811 64 K 4.4065 7.8493 120.0873 56.2652 31.9062 178.9989 65 T 5.0254 7.1771 111.2954 65.0767 70.4783 173.6288 66 V 3.6684 8.3117 125.0603 63.8409 32.8602 176.5616 67 N 4.7894 7.7427 116.2506 53.3626 40.6208 173.1311 68 L 3.4748 7.9134 122.3692 54.9835 38.3398 173.8363 69 S 4.5319 9.3800 118.3912 56.8732 64.9204 175.5635 70 A 3.8113 7.9955 122.3937 56.0635 18.8675 179.5482 71 C 4.0914 8.1437 109.8863 61.4687 29.9544 175.9389 72 E 4.0087 8.1222 120.6848 58.4018 29.1485 179.0858 73 V 3.6580 8.2156 119.3136 65.8845 31.6006 177.7125 74 A 4.0152 8.3736 120.9489 55.3884 18.0555 179.8278 75 V 3.3473 7.9673 116.5835 65.8891 31.6698 178.2531 76 L 4.2865 8.3435 119.2712 57.7275 41.4052 179.0886 77 D 4.2833 8.6067 118.3993 57.3110 41.2032 177.8638 78 L 3.8678 7.9130 119.7668 58.2833 41.3809 178.8963 79 Y 4.3348 7.6798 116.4060 61.6797 37.5142 178.9613 80 E 4.1658 8.2543 118.0023 58.6051 29.5058 178.8425 81 Q 4.0749 8.2965 118.3328 59.4515 28.9846 179.2849 82 S 4.2571 8.1673 113.4999 58.4986 63.8195 173.4974 83 N 4.2602 8.0006 117.5086 53.5778 35.5114 175.7078 84 I 4.2555 7.8500 118.8362 60.0700 38.2581 176.2652 85 R 4.1819 8.2858 125.9364 55.5289 30.5400 175.7037 86 I 4.1415 7.9865 126.0323 59.0596 38.7497 173.9202 87 P 4.2383 0.0000 0.0000 62.3156 32.0971 177.0404 88 S 4.1081 9.0580 119.0795 62.1270 62.6112 176.5244 89 D 4.5591 8.2221 122.2996 57.1861 40.5981 178.9844 90 I 3.8740 7.9419 119.7625 64.8270 37.1261 178.5824 91 I 3.7985 7.7695 119.6406 64.5738 36.9109 178.1473 92 E 3.9751 8.5328 118.4464 60.0301 29.5026 177.7459 93 D 4.5181 8.4651 118.7102 54.9114 41.1202 177.6174 94 L 3.7582 8.8162 120.8548 58.5652 42.3577 180.2549 95 V 3.7637 7.8781 117.0447 64.1467 30.8479 177.8128 96 N 4.0716 8.2084 117.9051 56.4780 38.3709 177.3519 97 Q 4.2390 7.5902 117.6251 55.6615 28.7769 174.4706 98 R 3.5199 6.9701 120.1789 56.0812 29.1944 175.4837 99 L 4.6412 7.9262 121.2857 52.6037 44.3659 177.0497 100 Q 4.0404 8.5569 118.4130 59.0266 28.9846 176.0784 101 S 4.5042 7.2584 109.6479 56.6563 65.5100 175.9519 102 E 3.9335 8.5433 120.2511 59.6897 29.1501 179.2210 103 Q 3.9523 8.0828 118.9676 59.2787 29.1672 178.1647 104 E 4.0757 8.0858 119.2158 59.2447 29.6146 179.4757 105 V 3.6947 7.9814 112.7753 64.3723 31.6460 178.6356 106 L 4.3364 8.1225 121.0496 58.2906 40.1052 178.7678 107 N 4.3091 8.8132 117.7172 56.5027 38.4959 176.4033 108 Y 4.0150 8.0257 119.9119 60.8978 38.9809 177.9964 109 I 3.8376 8.4538 120.9889 64.9080 37.3730 178.0968 110 E 4.1223 8.7640 119.3704 59.9201 29.1615 179.6040 111 T 3.8259 8.0786 115.6994 66.8721 68.5008 176.6990 112 Q 3.8356 8.2373 120.1485 58.9704 28.6705 179.0876 113 R 4.0958 8.7090 120.1245 59.7193 30.0981 178.8115 114 T 3.8843 8.0534 115.7119 66.4988 68.4339 175.7090 115 Y 4.0626 8.1578 121.8508 60.8647 38.6317 178.3916 116 W 4.4297 8.3280 119.9412 59.5900 29.1402 178.6297 117 K 3.9495 8.3019 118.8826 60.0943 31.8454 179.3038 118 L 3.9930 7.6815 120.2916 57.8228 40.4981 178.5800 119 E 3.9566 8.2886 120.6555 59.2689 29.4629 178.1994 120 N 4.5905 8.2176 113.5525 54.5625 38.6323 176.6374 121 Q 4.0648 7.8651 121.9350 57.9860 29.5722 176.5201 122 K 3.9372 7.3257 118.2447 56.2691 32.6214 177.0508 123 K 4.0928 8.3541 121.1703 55.8270 32.1697 176.3276 124 L 3.8775 8.1150 127.8919 53.7989 41.9359 177.2072 125 Y 4.4395 6.7613 125.2522 57.0997 37.2511 176.0844 126 R 3.8860 8.2753 124.2903 57.1208 29.9372 175.9518 127 G 4.2388 7.9641 108.6970 46.8473 0.0000 174.6233 128 S 4.4828 7.5367 117.1580 57.3112 61.7446 176.1661 129 L 4.3561 7.3271 124.5429 54.1044 40.4707 177.7522 130 K 4.1320 7.6575 123.0052 56.6798 32.1615 176.1783 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 61 H 8.44 4.75 0.00 3.08 3.36 0.00 5.71 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 M 7.83 4.17 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 63 D 7.24 5.02 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.85 4.41 0.00 2.00 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.55 7.81 65 T 7.18 5.03 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 66 V 8.31 3.67 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 0.64 0.00 0.00 0.91 0.00 0.00 67 N 7.74 4.79 0.00 2.69 2.66 0.00 0.00 7.06 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.91 3.47 0.00 1.85 1.77 0.96 0.99 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 69 S 9.38 4.53 0.00 4.08 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.00 3.81 1.28 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 0.00 0.00 0.00 71 C 8.14 4.09 0.00 3.16 3.40 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 72 E 8.12 4.01 0.00 2.23 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 0.00 2.49 2.34 0.00 73 V 8.22 3.66 2.30 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 1.10 0.00 0.00 0.99 0.00 0.00 74 A 8.37 4.02 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 75 V 7.97 3.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.95 0.00 0.00 76 L 8.34 4.29 0.00 2.00 1.80 1.05 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.61 4.28 0.00 2.67 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.91 3.87 0.00 1.64 1.53 0.82 1.14 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 79 Y 7.68 4.33 0.00 3.22 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.25 4.17 0.00 2.06 2.02 0.00 0.00 0.00 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 2.54 0.00 81 Q 8.30 4.07 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.72 0.00 82 S 8.17 4.26 0.00 4.14 3.98 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 0.00 0.00 0.00 0.00 83 N 8.00 4.26 0.00 2.99 2.99 0.00 0.00 6.81 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.85 4.26 2.17 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.55 0.67 0.00 0.00 85 R 8.29 4.18 0.00 1.73 1.78 0.00 3.16 0.00 0.00 3.85 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.52 0.00 86 I 7.99 4.14 1.81 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 1.17 0.70 0.89 0.00 0.00 87 P 0.00 4.24 0.00 2.05 1.62 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.78 0.00 88 S 9.06 4.11 0.00 4.24 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.22 4.56 0.00 3.11 3.33 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 90 I 7.94 3.87 2.11 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.99 1.03 0.00 0.00 91 I 7.77 3.80 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.71 0.96 0.00 0.00 92 E 8.53 3.98 0.00 2.19 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 0.00 2.39 2.51 0.00 93 D 8.47 4.52 0.00 2.89 2.91 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 94 L 8.82 3.76 0.00 2.01 1.82 0.96 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.88 3.76 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.06 0.00 0.00 96 N 8.21 4.07 0.00 2.79 2.75 0.00 0.00 7.01 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 97 Q 7.59 4.24 0.00 1.69 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.13 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 98 R 6.97 3.52 0.00 2.36 2.04 0.00 3.06 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 99 L 7.93 4.64 0.00 1.56 1.58 0.71 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.56 4.04 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 101 S 7.26 4.50 0.00 3.78 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.54 3.93 0.00 2.08 1.95 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 2.38 2.41 0.00 103 Q 8.08 3.95 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 104 E 8.09 4.08 0.00 2.26 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 2.41 2.47 0.00 105 V 7.98 3.69 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.05 0.00 0.00 106 L 8.12 4.34 0.00 1.90 1.88 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.81 4.31 0.00 2.97 2.99 0.00 0.00 6.62 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.03 4.01 0.00 3.06 3.11 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 0.00 0.00 0.00 0.00 109 I 8.45 3.84 2.21 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.83 0.95 0.00 0.00 110 E 8.76 4.12 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 111 T 8.08 3.83 4.20 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 0.00 0.00 0.00 1.10 0.00 0.00 112 Q 8.24 3.84 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.53 0.00 0.00 0.00 0.00 0.00 1.73 2.06 0.00 113 R 8.71 4.10 0.00 1.94 2.20 0.00 2.94 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 114 T 8.05 3.88 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 0.00 115 Y 8.16 4.06 0.00 2.89 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 0.00 116 W 8.33 4.43 0.00 3.44 2.93 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 0.00 0.00 0.00 117 K 8.30 3.95 0.00 1.97 2.07 0.00 1.32 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.57 7.81 118 L 7.68 3.99 0.00 1.79 1.82 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.29 3.96 0.00 1.24 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 120 N 8.22 4.59 0.00 2.79 2.80 0.00 0.00 7.18 6.97 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 0.00 121 Q 7.87 4.06 0.00 2.05 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 122 K 7.33 3.94 0.00 1.84 1.74 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.63 7.81 123 K 8.35 4.09 0.00 1.87 1.87 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.51 7.81 124 L 8.12 3.88 0.00 1.55 1.45 0.30 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 6.76 4.44 0.00 3.16 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.28 3.89 0.00 1.96 2.09 0.00 3.40 0.00 0.00 3.21 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 127 G 7.96 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 7.54 4.48 0.00 3.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.33 4.36 0.00 1.63 1.66 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.66 4.13 0.00 1.72 1.69 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81