NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 37 M 4.4009 8.3049 120.3472 55.1822 33.3483 175.0189 38 K 4.1868 8.4156 125.6222 53.8412 33.3785 175.9319 39 S 4.4304 8.7312 118.7500 57.8853 66.1296 174.9254 40 A 3.9896 8.4629 124.1420 55.5866 18.1261 179.8124 41 D 4.2967 8.0558 116.8572 57.4993 40.9393 178.5925 42 D 4.4076 7.9318 119.3247 57.1758 40.8731 178.8993 43 V 3.8211 8.1232 119.0046 66.1034 31.5127 178.3313 44 K 4.0165 8.4558 118.4404 59.0829 31.7979 179.5747 45 K 3.9325 7.9855 119.1163 59.4810 31.9333 179.5463 46 V 3.4360 7.6392 118.0661 65.6693 31.3738 177.7226 47 F 3.1396 8.0566 120.4562 61.4919 38.9584 176.9294 48 H 4.3055 8.1324 114.5949 58.8266 28.5073 177.6084 49 I 3.8036 7.4092 121.0722 64.3048 36.9845 178.1864 50 L 4.0368 7.6008 119.0255 56.6206 43.0709 178.2384 51 D 4.5652 7.5500 119.8140 52.9119 37.7235 176.5640 52 K 3.9156 7.8953 122.0445 58.5796 32.7826 177.7990 53 D 4.6747 8.0098 115.8033 52.0646 39.5233 176.1867 54 K 3.9658 7.6757 117.4866 57.7813 30.1187 176.3119 55 S 4.2863 8.2574 112.6512 59.3649 63.4745 175.1521 56 G 3.9179 9.7250 110.0487 45.1197 0.0000 172.9402 57 F 5.2029 7.7220 116.0137 55.9536 43.7872 174.3327 58 I 4.7978 8.9016 122.4818 59.6145 38.2953 175.8482 59 E 4.7007 8.7820 127.1065 54.8609 31.3092 177.2512 60 E 3.8848 8.9411 121.0973 59.6434 29.5345 178.1805 61 D 4.5909 8.0731 115.4102 54.8104 39.8991 176.1917 62 E 4.4688 8.2025 119.2960 56.7125 31.3959 177.8485 63 L 4.1332 7.8166 121.1670 57.5225 42.5333 178.9790 64 G 3.7293 8.1598 107.1591 47.9828 0.0000 174.4956 65 S 4.6167 7.6795 114.0104 58.5341 63.4947 175.6097 66 I 3.7689 7.9708 123.0621 64.5157 37.7150 177.9035 67 L 4.3045 8.0133 119.0990 57.7059 41.3133 179.4038 68 K 4.4734 7.9440 117.4774 59.0801 31.9728 179.2687 69 G 3.5780 7.7497 105.2027 47.2970 0.0000 175.2290 70 F 4.6551 8.0030 118.4712 58.1115 39.8306 176.1797 71 S 4.5665 7.9894 113.3825 56.3958 64.7153 174.6363 72 S 4.2274 8.9290 123.3024 60.7278 62.7924 174.5017 73 D 4.6297 8.0024 118.8493 53.1390 39.5724 176.2279 74 A 4.3286 7.7968 123.2846 51.6408 19.2660 177.8461 75 R 4.3122 8.1437 116.3448 55.6431 30.7060 175.8701 76 D 4.7525 8.2253 118.1812 53.8534 41.7988 176.6397 77 L 4.5534 8.4212 121.9932 54.4534 42.9112 177.0883 78 S 4.4655 9.4144 117.1484 57.7232 64.6303 175.1749 79 A 3.9927 8.6714 121.4006 55.1870 18.0252 179.7207 80 K 3.9138 7.9855 117.6208 59.7458 32.2912 178.7567 81 E 4.0225 8.2767 118.8915 59.6579 29.2577 179.5302 82 T 3.8993 8.0709 115.8528 66.5752 68.5378 176.9725 83 K 4.0213 8.1793 120.4373 59.6744 32.0608 179.6083 84 T 3.8870 7.9892 116.1033 66.5377 68.3229 176.5295 85 L 3.9880 8.2240 122.5281 58.1878 42.0845 178.5803 86 M 4.0282 8.4833 118.3893 58.7026 31.9805 178.0580 87 A 3.9890 7.8789 119.2995 55.1700 18.6195 179.1883 88 A 4.1903 8.0517 118.4843 55.1018 18.5659 179.6673 89 G 3.8694 8.3836 103.2505 46.1277 0.0000 174.7707 90 D 4.7297 8.0760 122.1000 52.8950 38.5563 176.4538 91 K 4.0077 8.1523 122.7819 58.7350 32.6966 177.8305 92 D 4.5234 8.6411 115.8038 52.9082 39.7395 176.9995 93 G 3.8999 7.9950 107.8750 46.6051 0.0000 174.0928 94 D 4.4612 8.3059 116.7429 53.1371 39.6186 177.3870 95 G 3.9409 10.0267 108.9369 45.2590 0.0000 172.8736 96 K 4.7182 7.8938 116.7546 55.6549 36.5035 175.3385 97 I 4.7797 8.9162 121.6399 59.9552 39.4276 176.4003 98 G 4.1377 9.1548 115.6951 45.1040 0.0000 174.2407 99 V 3.1266 7.9860 117.7063 65.8993 31.2791 178.0913 100 E 3.9810 8.0195 117.8454 59.4469 29.4152 179.0241 101 E 4.0415 8.2098 118.2659 59.2380 29.7148 178.9876 102 F 4.2830 8.8639 121.2702 61.4836 39.2973 177.3316 103 S 4.1049 8.3640 114.0855 61.9290 63.0241 176.5540 104 T 3.9926 8.1152 118.4297 66.5215 67.9528 176.5540 105 L 3.9802 7.6591 119.8509 57.5111 41.7293 179.1570 106 V 3.9797 6.8949 107.9933 59.9537 32.1400 176.1861 107 A 4.0530 7.0092 122.3207 51.6673 18.8011 177.6622 108 E 3.9845 8.6059 122.9419 56.3483 30.3267 177.0322 109 S 4.3761 8.5479 121.0681 58.7290 63.1155 173.9389 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 37 M 8.30 4.40 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 38 K 8.42 4.19 0.00 1.93 1.79 0.00 1.83 0.00 0.00 1.92 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.51 7.81 39 S 8.73 4.43 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 40 A 8.46 3.99 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 41 D 8.06 4.30 0.00 2.71 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 42 D 7.93 4.41 0.00 2.94 2.79 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 43 V 8.12 3.82 2.31 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 1.29 0.00 0.00 1.07 0.00 0.00 44 K 8.46 4.02 0.00 1.87 1.68 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.58 7.81 45 K 7.99 3.93 0.00 1.99 1.84 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.57 7.81 46 V 7.64 3.44 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 0.59 0.00 0.00 0.68 0.00 0.00 47 F 8.06 3.14 0.00 2.96 2.98 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 48 H 8.13 4.31 0.00 3.29 3.31 0.00 5.73 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.41 3.80 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.52 0.83 0.00 0.00 50 L 7.60 4.04 0.00 1.21 1.45 0.74 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.55 4.57 0.00 2.21 2.34 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 52 K 7.90 3.92 0.00 1.73 1.82 0.00 1.74 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.32 7.81 53 D 8.01 4.67 0.00 2.72 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 54 K 7.68 3.97 0.00 1.92 1.89 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.32 7.81 55 S 8.26 4.29 0.00 4.13 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.73 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.72 5.20 0.00 3.13 3.01 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 58 I 8.90 4.80 1.87 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.51 0.86 0.00 0.00 59 E 8.78 4.70 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 60 E 8.94 3.88 0.00 2.00 1.96 0.00 0.00 0.00 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 2.33 0.00 61 D 8.07 4.59 0.00 2.81 2.77 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 0.00 0.00 0.00 0.00 62 E 8.20 4.47 0.00 2.09 2.04 0.00 0.00 0.00 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 2.17 0.00 63 L 7.82 4.13 0.00 1.70 1.68 1.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.16 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 0.00 0.00 0.00 65 S 7.68 4.62 0.00 3.92 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 66 I 7.97 3.77 2.12 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.74 1.04 0.00 0.00 67 L 8.01 4.30 0.00 1.93 1.78 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.94 4.47 0.00 1.91 1.89 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.48 7.81 69 G 7.75 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.00 4.66 0.00 3.23 3.14 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 71 S 7.99 4.57 0.00 3.91 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 72 S 8.93 4.23 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.00 4.63 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.80 4.33 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 75 R 8.14 4.31 0.00 1.95 1.96 0.00 3.04 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 76 D 8.23 4.75 0.00 2.60 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.42 4.55 0.00 1.57 1.61 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 78 S 9.41 4.47 0.00 3.87 4.02 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 79 A 8.67 3.99 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 80 K 7.99 3.91 0.00 1.84 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.54 7.81 81 E 8.28 4.02 0.00 2.30 2.00 0.00 0.00 0.00 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 2.36 0.00 82 T 8.07 3.90 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 83 K 8.18 4.02 0.00 1.82 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.67 7.81 84 T 7.99 3.89 4.41 0.00 0.00 0.00 0.00 0.00 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 85 L 8.22 3.99 0.00 1.84 1.82 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.48 4.03 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 87 A 7.88 3.99 1.37 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 0.00 0.00 0.00 88 A 8.05 4.19 1.37 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 0.00 0.00 0.00 89 G 8.38 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 0.00 0.00 0.00 90 D 8.08 4.73 0.00 2.90 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 91 K 8.15 4.01 0.00 1.82 1.88 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.61 7.81 92 D 8.64 4.52 0.00 2.78 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 93 G 8.00 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 0.00 0.00 0.00 94 D 8.31 4.46 0.00 2.72 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 95 G 10.03 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.89 4.72 0.00 1.97 1.73 0.00 1.26 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.08 7.81 97 I 8.92 4.78 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.09 1.23 0.00 0.00 98 G 9.15 4.14 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 0.00 99 V 7.99 3.13 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 -0.25 0.00 0.00 100 E 8.02 3.98 0.00 2.04 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 2.37 2.34 0.00 101 E 8.21 4.04 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 102 F 8.86 4.28 0.00 3.46 3.44 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 0.00 103 S 8.36 4.10 0.00 4.02 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 3.99 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 105 L 7.66 3.98 0.00 1.68 1.60 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 106 V 6.89 3.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.83 0.00 0.00 107 A 7.01 4.05 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.61 3.98 0.00 1.91 1.85 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 2.27 2.30 0.00 109 S 8.55 4.38 0.00 3.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00