NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 P 4.4075 0.0000 0.0000 62.3798 32.6545 177.0598 44 S 3.7712 8.4752 117.0485 58.2522 63.3390 171.2234 45 G 3.9894 7.3088 107.7251 44.3789 0.0000 175.4200 46 K 4.6011 8.3007 114.2059 55.9943 34.9511 175.6670 47 N 5.1214 7.7436 116.4189 49.4739 40.7182 173.2793 48 P 4.2867 0.0000 0.0000 64.5785 31.3556 178.5876 49 V 3.5161 7.6756 118.7654 66.5023 31.6228 177.3245 50 M 4.0126 8.3360 117.8366 58.4255 31.9771 178.0591 51 I 3.6988 7.1828 117.5148 64.3118 37.2875 177.8864 52 L 4.1996 7.7416 120.5376 58.4399 41.8013 178.4106 53 N 4.5279 8.3261 114.2919 55.4537 38.8883 175.3411 54 E 4.4973 7.7005 117.7644 57.9744 31.0519 177.6641 55 L 4.2589 8.2902 120.1527 56.9130 43.2924 178.0034 56 R 4.4796 7.9464 120.5134 54.5129 30.9975 172.2423 57 P 4.6035 0.0000 0.0000 61.4954 32.6357 176.5573 58 G 4.2847 8.7242 106.2643 46.0206 0.0000 172.8500 59 L 5.0373 7.9094 119.2072 53.4875 44.0486 175.0086 60 K 4.9570 8.7519 116.2766 55.2113 36.6155 175.4419 61 Y 5.1207 8.7103 118.1640 56.5360 42.3398 175.1483 62 D 4.8180 9.2792 121.1963 52.6264 44.6580 174.9737 63 F 4.7180 9.1822 126.4529 58.2164 40.3168 174.1807 64 L 4.7174 7.9068 123.6347 52.3544 45.9409 176.1723 65 S 4.3933 8.5247 117.1955 59.2398 63.6536 172.7660 66 E 4.6817 8.4423 118.0190 55.1218 32.7038 174.5643 67 S 4.3809 8.2155 114.4136 58.3468 68.2291 174.9709 68 G 4.1016 8.6328 108.4010 45.1032 0.0000 172.7449 69 E 4.3246 7.9703 118.2301 55.1783 30.4374 178.2132 70 S 4.3051 8.5551 115.4455 60.9891 62.8229 175.0267 71 H 4.8171 7.9337 113.5546 55.4223 29.0105 174.9344 72 A 4.6137 7.6557 121.0176 51.9222 20.1098 176.1417 73 K 4.2972 8.0269 120.1473 58.3900 33.6585 175.6960 74 S 4.9860 8.2145 117.9343 57.2430 67.0805 172.4605 75 F 5.3784 9.5466 119.1575 56.3866 44.1861 173.5717 76 V 4.9835 8.1279 118.1972 60.8035 35.4609 173.8391 77 M 5.2063 8.8860 120.9368 54.1879 36.0123 173.9272 78 S 5.2275 9.4083 119.8534 56.6922 67.3153 172.4039 79 V 4.4670 7.8743 118.3969 61.4987 35.7524 173.6650 80 V 5.0271 8.7215 122.8010 60.2254 34.4363 174.1203 81 V 4.5973 8.1481 127.6398 61.9083 34.4856 174.8907 82 D 4.4093 10.3936 124.7157 54.9401 39.8983 173.8329 83 G 4.0511 8.3605 104.9099 45.5329 0.0000 174.0053 84 Q 4.4071 8.2700 119.4947 55.3613 30.6084 174.4812 85 F 5.2724 7.9175 120.9893 56.8520 42.7248 173.4181 86 F 4.6571 7.4838 121.4754 56.0669 43.5351 172.7734 87 E 4.8688 8.2001 119.4956 55.1138 33.9579 174.1582 88 G 4.2141 8.3535 104.3826 45.6591 0.0000 173.7157 89 S 5.0682 8.8947 121.9283 57.3440 65.2995 172.8596 90 G 4.1826 8.4984 106.6660 45.9881 0.0000 174.8736 91 R 4.6594 9.2570 115.6645 57.5830 29.9991 176.2931 92 N 4.7920 7.7629 115.5439 50.2903 41.8722 175.1251 93 K 4.0048 8.0277 119.4180 59.4597 31.9749 179.8191 94 K 3.9579 7.9363 118.4151 59.2525 32.0607 179.0134 95 L 3.9345 8.8425 120.8778 57.8659 41.9898 178.7705 96 A 4.2295 8.0234 120.7733 55.3524 18.4259 179.6085 97 K 3.9793 8.0398 117.3355 59.5103 32.1921 178.8733 98 A 4.0131 8.2080 121.3778 54.8786 18.3577 179.6799 99 R 3.7569 8.0782 117.0459 59.6218 30.1884 178.6877 100 A 4.2153 8.4157 121.7559 54.5812 18.3422 179.5092 101 A 3.8514 8.5635 119.8588 55.1344 18.4616 179.6241 102 Q 3.7770 8.0325 118.2296 59.3020 29.0816 178.7921 103 S 3.9777 7.8679 115.7215 61.4662 62.9002 176.4574 104 A 2.0000 7.4203 123.5523 54.4991 17.9023 178.9203 105 L 2.5607 7.7925 119.1078 57.4458 41.7618 178.6756 106 A 4.4584 7.8202 121.4886 55.0175 18.4900 179.7666 107 T 3.9616 7.6710 113.8377 66.9492 68.4986 177.4536 108 V 3.8034 7.5939 119.2434 65.5980 31.7292 177.2839 109 F 4.6356 8.6742 115.5762 56.8999 39.0989 175.5121 110 N 4.3497 7.9431 114.4600 53.9719 37.1197 173.7281 111 L 5.0330 7.5294 119.2460 53.5958 44.8591 174.8138 112 H 5.0836 8.4076 117.1422 54.6871 33.2629 173.7778 113 L 4.0979 7.9223 123.1007 55.3233 41.9088 176.5992 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 43 P 0.00 4.41 0.00 2.18 2.03 0.00 3.55 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 44 S 8.48 3.77 0.00 4.05 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 45 G 7.31 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.30 4.60 0.00 1.67 1.74 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.40 7.81 47 N 7.74 5.12 0.00 2.84 2.83 0.00 0.00 5.89 7.71 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 48 P 0.00 4.29 0.00 2.19 2.27 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 49 V 7.68 3.52 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 0.89 0.00 0.00 0.89 0.00 0.00 50 M 8.34 4.01 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.78 0.00 51 I 7.18 3.70 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.99 0.00 0.00 52 L 7.74 4.20 0.00 1.72 1.82 0.77 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.33 4.53 0.00 2.85 2.85 0.00 0.00 7.21 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.70 4.50 0.00 2.22 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 0.00 2.26 2.42 0.00 55 L 8.29 4.26 0.00 1.89 1.68 0.98 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.95 4.48 0.00 1.43 1.64 0.00 3.34 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 57 P 0.00 4.60 0.00 2.26 2.41 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 58 G 8.72 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 0.00 0.00 0.00 0.00 59 L 7.91 5.04 0.00 1.63 1.68 1.18 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.75 4.96 0.00 1.77 1.75 0.00 1.53 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.50 7.81 61 Y 8.71 5.12 0.00 2.79 2.89 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 62 D 9.28 4.82 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.18 4.72 0.00 3.08 3.02 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 0.00 0.00 0.00 64 L 7.91 4.72 0.00 1.30 1.33 0.92 1.05 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 65 S 8.52 4.39 0.00 3.69 3.83 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 66 E 8.44 4.68 0.00 1.35 1.36 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 2.17 2.47 0.00 67 S 8.22 4.38 0.00 3.68 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 68 G 8.63 4.10 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 0.00 0.00 0.00 69 E 7.97 4.32 0.00 1.70 1.86 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 2.34 2.29 0.00 70 S 8.56 4.31 0.00 3.91 3.97 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 0.00 0.00 0.00 71 H 7.93 4.82 0.00 3.26 3.40 0.00 5.48 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.66 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.03 4.30 0.00 2.01 1.81 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.51 0.86 7.81 74 S 8.21 4.99 0.00 3.88 3.83 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 75 F 9.55 5.38 0.00 3.05 3.17 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 76 V 8.13 4.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.95 0.00 0.00 77 M 8.89 5.21 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.66 0.00 78 S 9.41 5.23 0.00 3.61 3.97 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 0.00 0.00 0.00 79 V 7.87 4.47 1.49 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 -0.68 0.00 0.00 0.64 0.00 0.00 80 V 8.72 5.03 2.12 0.00 0.00 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 1.12 0.00 0.00 81 V 8.15 4.60 2.17 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 1.06 0.00 0.00 0.77 0.00 0.00 82 D 10.39 4.41 0.00 2.89 2.80 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 0.00 0.00 0.00 0.00 83 G 8.36 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 0.00 0.00 0.00 84 Q 8.27 4.41 0.00 2.38 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 85 F 7.92 5.27 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 7.48 4.66 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.20 4.87 0.00 1.91 1.71 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 2.28 2.32 0.00 88 G 8.35 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.89 5.07 0.00 3.99 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 90 G 8.50 4.18 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 0.00 0.00 0.00 91 R 9.26 4.66 0.00 2.02 2.14 0.00 2.65 0.00 0.00 3.97 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 92 N 7.76 4.79 0.00 2.81 2.90 0.00 0.00 6.30 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.03 4.00 0.00 1.61 1.77 0.00 1.35 0.00 0.00 1.39 0.00 0.00 2.38 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 0.91 7.81 94 K 7.94 3.96 0.00 1.92 1.81 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.41 7.81 95 L 8.84 3.93 0.00 1.83 1.82 0.94 1.16 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 96 A 8.02 4.23 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 3.98 0.00 1.85 1.75 0.00 1.35 0.00 0.00 1.41 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.22 7.81 98 A 8.21 4.01 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.08 3.76 0.00 2.00 2.07 0.00 3.11 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 100 A 8.42 4.22 1.44 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 0.00 0.00 0.00 101 A 8.56 3.85 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.03 3.78 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.66 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 103 S 7.87 3.98 0.00 4.06 4.01 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 0.00 0.00 0.00 0.00 104 A 7.42 2.00 0.70 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 0.00 0.00 105 L 7.79 2.56 0.00 1.31 1.37 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.82 4.46 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 7.67 3.96 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 1.46 0.00 0.00 108 V 7.59 3.80 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 1.01 0.00 0.00 1.08 0.00 0.00 109 F 8.67 4.64 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 7.94 4.35 0.00 2.95 2.93 0.00 0.00 6.87 7.75 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 0.00 111 L 7.53 5.03 0.00 1.78 1.64 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.41 5.08 0.00 3.05 3.11 0.00 5.73 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.92 4.10 0.00 1.48 1.42 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00