NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.7598 8.1200 121.1853 56.6889 34.3148 177.1065 3 L 3.7336 8.0355 119.9012 58.3531 41.5389 177.2770 4 S 4.1116 8.0229 113.8437 61.5791 63.4965 175.5470 5 E 4.2808 7.9253 119.0084 58.4079 30.0472 178.4166 6 V 3.5880 7.9995 119.8279 65.8753 31.4191 177.9570 7 R 3.9390 8.1407 115.7464 59.5103 28.9098 179.0232 8 K 3.9765 7.8296 118.3833 59.3979 32.2583 179.2888 9 Q 4.0606 8.5249 118.5907 58.7562 28.4123 178.9267 10 L 4.0442 8.3576 120.7680 57.6860 41.3349 178.9234 11 E 4.2539 7.8918 118.4924 59.7110 29.2799 179.3427 12 E 4.0763 8.5000 117.9669 58.9864 29.8606 179.4089 13 A 4.1328 7.6931 120.7370 55.2599 18.4860 179.6236 14 R 4.1653 8.7827 115.1321 57.4786 30.2405 177.9843 15 K 4.5125 7.3697 115.9631 56.1348 34.8839 176.9090 16 L 4.2136 7.6381 121.8411 56.5106 40.1263 176.8585 17 S 3.3043 7.2732 112.3150 58.7583 65.6329 168.8276 18 P 4.3568 0.0000 0.0000 63.6359 31.5684 176.6775 19 V 3.5837 8.3977 121.8007 64.8149 31.9565 176.4953 20 E 4.0130 8.1483 117.9946 58.5866 29.5480 178.4288 21 L 4.0115 8.6013 120.2694 57.7736 41.4882 178.8206 22 E 3.9317 8.1466 118.0324 59.5547 29.3330 179.3816 23 K 3.9853 7.6710 117.6320 58.8502 32.3730 179.0560 24 L 4.0760 7.6975 121.2166 58.1891 42.1173 179.0059 25 V 3.7001 7.7188 118.2188 65.6591 31.2286 177.9027 26 R 4.1972 8.3870 114.5281 57.0413 29.5433 176.2262 27 E 4.5714 8.7184 117.8411 55.8792 32.7019 177.5128 28 K 4.0916 8.0903 117.9481 58.6179 31.9395 179.4716 29 K 4.0061 7.9303 119.1155 59.3154 32.1781 178.8420 30 R 4.0979 7.6266 118.7467 59.3918 29.8161 177.9500 31 E 4.1619 8.0660 117.2722 58.1707 29.9362 178.2367 32 L 3.9823 7.4329 120.4477 58.3478 42.0321 178.4883 33 M 4.1556 8.6593 118.6644 58.4711 32.3325 177.4805 34 E 3.6411 8.2968 119.4335 59.3988 29.4196 179.1594 35 L 3.9529 7.8506 119.5865 58.1499 42.4431 178.9824 36 R 4.1025 8.0363 115.4062 58.8117 29.1744 178.8818 37 F 3.9964 8.7758 119.4097 60.6729 38.9294 177.3699 38 Q 4.2137 8.1153 114.8870 57.7042 28.5734 177.6052 39 A 4.5070 7.4014 120.8035 53.0760 19.8493 179.0173 40 S 4.2301 8.4332 114.1568 61.3723 63.0650 175.4670 41 I 3.7693 7.9062 113.7943 62.5194 37.4445 177.5090 42 G 4.8752 7.5666 120.3160 45.9852 0.0000 171.8976 43 Q 4.3684 7.4587 120.2106 55.9723 31.1837 174.2674 44 L 3.7363 8.3582 114.8070 56.1656 39.4645 175.8405 45 S 4.6466 7.9403 112.4485 56.6943 61.5530 172.7880 46 Q 4.5059 7.2510 124.7634 54.1953 29.5718 176.5614 47 N 3.5262 8.4917 113.3961 55.1621 39.9803 178.4099 48 H 3.9605 8.2447 116.5049 58.1081 31.1778 177.3660 49 K 3.7397 7.4603 121.0595 59.5563 31.5455 178.1003 50 I 3.8229 9.6792 120.3022 64.1646 37.0213 178.3536 51 R 4.0405 7.8064 116.5024 58.6962 29.5693 178.5856 52 D 4.2875 8.0817 120.5239 57.4602 40.7249 178.3305 53 L 4.0533 7.4646 118.9772 58.0743 42.2654 177.9023 54 K 4.0792 7.8466 120.9814 58.6733 32.0611 178.4684 55 R 3.9265 8.7793 118.7255 59.4976 30.2746 178.9864 56 Q 3.9884 8.1490 117.6906 59.3529 28.8259 179.1545 57 I 3.7183 7.8406 120.2117 65.1202 37.0161 177.2854 58 A 4.0370 8.0219 121.2695 54.4467 17.8404 179.2182 59 R 4.1929 7.9222 113.3727 58.3577 29.5264 178.8366 60 L 3.9259 7.9737 119.2360 57.6629 41.6328 179.6885 61 L 3.9502 7.8753 118.4850 58.0846 41.7002 179.2546 62 T 3.8551 8.4124 116.5350 66.9109 68.4066 176.2469 63 V 3.5034 8.6687 120.7190 66.1124 31.4407 177.6529 64 L 3.9700 7.8772 118.8755 58.3938 42.0151 177.9870 65 N 4.4861 8.7256 117.9541 55.8158 38.7920 176.2873 66 E 3.9505 8.5535 120.2583 59.7405 29.6310 179.5069 67 K 4.0983 7.9139 118.5530 58.8892 33.1800 178.5732 68 R 5.0610 7.3540 117.6709 55.2061 27.9555 176.9541 69 R 4.6464 7.3204 112.1975 57.0988 35.5025 175.9566 70 Q 4.5713 7.6149 113.2455 56.4512 32.7589 173.6154 71 N 4.8484 8.4653 117.4463 51.7569 41.8032 174.3217 72 A 4.0933 8.5217 125.0740 53.1034 19.1595 175.6300 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 2 K 8.12 4.76 0.00 1.86 1.87 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 3 L 8.04 3.73 0.00 1.83 1.67 0.92 0.64 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 4 S 8.02 4.11 0.00 3.88 3.95 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 5 E 7.93 4.28 0.00 2.29 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 0.00 2.51 2.43 0.00 6 V 8.00 3.59 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 1.11 0.00 0.00 0.97 0.00 0.00 7 R 8.14 3.94 0.00 2.08 2.19 0.00 2.96 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 8 K 7.83 3.98 0.00 2.09 1.89 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.53 7.81 9 Q 8.52 4.06 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 10 L 8.36 4.04 0.00 1.84 1.71 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.89 4.25 0.00 2.14 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 2.66 0.00 12 E 8.50 4.08 0.00 2.03 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 2.35 2.33 0.00 13 A 7.69 4.13 1.42 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 0.00 0.00 0.00 14 R 8.78 4.17 0.00 1.75 2.00 0.00 3.13 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 15 K 7.37 4.51 0.00 1.92 1.89 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.55 7.81 16 L 7.64 4.21 0.00 1.86 1.68 0.93 0.85 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 17 S 7.27 3.30 0.00 4.04 4.03 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 18 P 0.00 4.36 0.00 2.22 2.09 0.00 3.73 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 1.99 1.92 0.00 19 V 8.40 3.58 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 1.44 0.00 0.00 0.93 0.00 0.00 20 E 8.15 4.01 0.00 2.12 1.92 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 2.37 2.45 0.00 21 L 8.60 4.01 0.00 1.96 1.70 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.15 3.93 0.00 2.10 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 2.40 2.46 0.00 23 K 7.67 3.99 0.00 1.87 1.88 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.59 7.81 24 L 7.70 4.08 0.00 1.97 1.87 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.72 3.70 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 0.91 0.00 0.00 0.93 0.00 0.00 26 R 8.39 4.20 0.00 1.86 1.94 0.00 3.26 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 27 E 8.72 4.57 0.00 2.07 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 2.18 2.25 0.00 28 K 8.09 4.09 0.00 1.82 1.84 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.62 7.81 29 K 7.93 4.01 0.00 1.76 1.85 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.73 1.44 7.81 30 R 7.63 4.10 0.00 1.83 2.11 0.00 3.05 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 E 8.07 4.16 0.00 2.17 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 2.35 2.29 0.00 32 L 7.43 3.98 0.00 1.87 1.85 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.66 4.16 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.24 0.00 34 E 8.30 3.64 0.00 2.14 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 0.00 2.27 2.37 0.00 35 L 7.85 3.95 0.00 1.81 1.98 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.04 4.10 0.00 2.13 2.22 0.00 2.84 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.75 0.00 37 F 8.78 4.00 0.00 3.27 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 38 Q 8.12 4.21 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.77 2.56 0.00 39 A 7.40 4.51 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 40 S 8.43 4.23 0.00 3.83 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 41 I 7.91 3.77 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.59 0.95 0.00 0.00 42 G 7.57 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.46 4.37 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 44 L 8.36 3.74 0.00 2.02 1.72 1.01 0.89 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 45 S 7.94 4.65 0.00 3.97 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 46 Q 7.25 4.51 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 47 N 8.49 3.53 0.00 2.81 2.65 0.00 0.00 6.79 8.16 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 48 H 8.24 3.96 0.00 3.48 3.48 0.00 5.48 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.46 3.74 0.00 1.90 1.82 0.00 1.62 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.59 7.81 50 I 9.68 3.82 1.95 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 1.59 0.48 0.92 0.00 0.00 51 R 7.81 4.04 0.00 2.04 2.20 0.00 2.98 0.00 0.00 3.35 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 52 D 8.08 4.29 0.00 2.94 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 53 L 7.46 4.05 0.00 1.76 1.70 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.85 4.08 0.00 2.00 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 55 R 8.78 3.93 0.00 1.87 1.99 0.00 3.20 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 56 Q 8.15 3.99 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 57 I 7.84 3.72 1.98 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 1.88 1.04 0.91 0.00 0.00 58 A 8.02 4.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.92 4.19 0.00 2.04 2.24 0.00 3.15 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.69 0.00 60 L 7.97 3.93 0.00 2.00 1.77 0.92 0.56 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 61 L 7.88 3.95 0.00 1.90 1.71 0.92 0.73 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 62 T 8.41 3.86 4.35 0.00 0.00 0.00 0.00 0.00 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 63 V 8.67 3.50 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 1.04 0.00 0.00 0.94 0.00 0.00 64 L 7.88 3.97 0.00 1.81 1.89 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.73 4.49 0.00 3.02 2.77 0.00 0.00 6.74 7.52 0.00 0.00 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 8.55 3.95 0.00 2.13 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 0.00 2.62 2.39 0.00 67 K 7.91 4.10 0.00 1.82 1.89 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.44 7.81 68 R 7.35 5.06 0.00 2.16 1.89 0.00 3.14 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 69 R 7.32 4.65 0.00 1.80 1.88 0.00 3.43 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 70 Q 7.61 4.57 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.72 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 71 N 8.47 4.85 0.00 2.79 2.71 0.00 0.00 6.63 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 72 A 8.52 4.09 1.19 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 0.00 0.00