NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4935 8.1633 118.3269 55.2023 33.3739 173.7599 2 Q 5.2673 8.6195 119.5898 51.5377 32.0225 173.1348 3 I 4.5248 8.7497 117.2765 59.1918 41.4957 173.6864 4 F 5.4327 8.5482 121.5316 55.7494 42.0547 174.7561 5 V 4.9852 8.9607 122.9549 61.1195 34.3444 174.2117 6 K 4.8446 9.3136 128.5853 55.6258 33.8321 176.7404 7 T 4.6283 8.3995 115.3421 60.0124 70.9232 175.7396 8 L 4.0139 8.5592 123.8505 58.2822 42.2324 178.3354 9 T 3.9070 7.7805 107.6059 63.1499 68.9298 175.1203 10 G 4.0290 7.8479 109.4761 44.7150 0.0000 172.9466 11 K 4.3105 8.0940 121.6878 55.9931 33.5556 175.6461 12 T 4.9764 8.4820 123.6425 62.4210 70.1639 173.9120 13 I 4.4844 8.9440 127.5310 59.9823 39.5251 174.5834 14 T 4.8855 8.5726 123.5893 61.8692 70.2340 173.9035 15 L 4.7971 8.4631 125.8514 52.8807 45.5323 175.1954 16 E 4.7675 8.5930 121.0980 55.0800 30.7807 175.7251 17 V 4.7304 8.2464 116.5533 59.9064 36.4602 174.3477 18 E 4.7312 9.2977 120.7871 53.8974 32.1710 175.8961 19 P 4.1651 0.0000 0.0000 65.7392 31.5732 178.6868 20 S 4.2517 7.9102 110.8100 59.9495 63.7075 174.2332 21 D 4.3584 8.1541 123.6710 54.4748 40.9873 176.5567 22 T 4.6494 8.4268 114.8217 61.0903 71.3744 175.6936 23 I 3.7723 8.5977 124.3055 64.8686 36.8682 179.1354 24 E 3.9717 7.9356 119.4369 61.4175 29.6096 181.2522 25 N 4.4875 7.9851 117.2815 56.0550 38.7127 177.6984 26 V 3.5452 7.9533 119.5320 65.9845 31.6427 178.1768 27 K 4.2053 8.7644 119.6792 58.9881 32.0445 179.1949 28 A 4.0451 8.2628 121.0317 55.0541 17.7698 179.7377 29 K 4.1259 7.9766 116.7431 59.2040 32.1333 179.6565 30 I 3.8095 7.5755 120.1659 64.1045 36.9053 177.9236 31 Q 4.1686 7.9907 121.9039 58.8440 28.6349 178.3192 32 D 4.3447 7.5980 117.2035 56.6852 40.8409 178.0188 33 K 4.3849 7.2700 114.1118 57.0020 33.3731 177.5089 34 E 4.5987 8.3627 116.6373 55.2197 30.9505 176.9882 35 G 3.7737 8.2196 106.4097 45.8630 0.0000 173.1160 36 I 4.2553 7.4628 121.1967 58.2284 37.8764 173.6300 37 P 4.4396 0.0000 0.0000 62.1190 31.8101 175.7006 38 P 4.2857 0.0000 0.0000 65.6464 31.5443 178.3513 39 D 4.3119 8.1285 116.6417 56.2881 39.3974 176.9862 40 Q 4.3861 8.2080 117.1988 55.8516 28.8975 174.4667 41 Q 4.9702 8.1399 118.6340 54.0559 31.8167 174.7094 42 R 4.6168 8.6218 122.5112 54.7075 33.2686 173.6413 43 L 5.2997 8.5316 126.2734 53.2038 44.5521 175.4989 44 I 5.0623 8.9203 123.6203 59.4237 40.9262 174.2694 45 F 5.0143 8.8883 128.1776 56.5195 42.0173 174.5630 46 A 3.5857 9.6716 128.9961 53.1873 15.9529 177.4439 47 G 4.0010 8.4744 108.2827 46.6756 0.0000 174.7738 48 K 4.3976 7.9586 120.1052 54.8637 33.2710 175.6715 49 Q 4.4842 8.5314 125.3477 56.1399 29.7498 174.9806 50 L 4.1795 8.3470 126.4663 53.6334 43.2673 175.9325 51 E 4.5340 8.9949 123.1414 55.2161 30.6468 177.5151 52 D 4.4152 9.0987 124.0327 57.0758 41.1232 178.1520 53 G 3.9153 8.0604 105.4497 45.9300 0.0000 173.5133 54 R 4.5788 7.8477 120.0262 54.4806 32.2734 176.2348 55 T 4.7525 7.9995 110.6878 60.7781 70.1899 175.8715 56 L 4.0435 8.4403 122.3972 57.8909 41.5718 179.9710 57 S 4.3631 7.8769 113.3515 60.8577 62.8622 176.2890 58 D 4.2674 7.8198 122.3907 57.2511 40.6562 177.3193 59 Y 4.3483 7.3445 113.1038 56.8622 38.6683 174.7057 60 N 4.1012 7.7237 117.1820 54.4644 37.9128 174.2028 61 I 3.7633 7.9979 118.2311 60.3216 37.8256 176.0226 62 Q 4.7614 8.0644 125.1837 53.5317 31.6110 174.5583 63 R 3.9620 8.3446 114.9824 58.1360 29.7166 176.1836 64 E 4.0604 8.9002 119.3356 57.2323 28.0198 174.7746 65 S 4.5465 7.6415 114.8044 59.0499 64.1778 173.2353 66 T 5.1080 8.6545 119.8239 62.4424 69.8179 174.2683 67 L 5.0523 9.5808 127.0821 53.5149 45.1912 174.9160 68 H 5.3028 9.2900 117.9130 53.9773 31.8452 173.0371 69 L 5.0914 9.0675 125.2060 53.3946 44.0527 175.4596 70 V 4.4135 8.5688 126.8560 61.1715 33.6172 174.5726 71 L 4.8451 8.5550 127.4620 54.0782 43.3913 177.1687 72 R 4.3532 8.8311 122.5884 55.1013 29.0001 175.5271 73 L 4.4318 8.3880 122.8803 54.9508 43.5572 177.2273 74 R 4.6201 7.7303 116.8072 54.3339 32.0604 175.6863 75 G 3.8161 8.6457 112.0679 46.2210 0.0000 173.8858 76 G 3.7730 7.9837 113.7557 45.8782 0.0000 173.4650 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 1 M 8.16 4.49 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 2 Q 8.62 5.27 0.00 1.72 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.63 2.17 0.00 3 I 8.75 4.52 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.81 0.00 0.00 4 F 8.55 5.43 0.00 3.10 2.94 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 5 V 8.96 4.99 2.10 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 0.98 0.00 0.00 0.93 0.00 0.00 6 K 9.31 4.84 0.00 1.66 1.76 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.35 7.81 7 T 8.40 4.63 4.26 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 1.23 0.00 0.00 8 L 8.56 4.01 0.00 1.61 1.75 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.78 3.91 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 10 G 7.85 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 0.00 0.00 0.00 11 K 8.09 4.31 0.00 1.90 1.69 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.43 7.81 12 T 8.48 4.98 4.29 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 1.35 0.00 0.00 13 I 8.94 4.48 1.90 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 1.25 0.83 0.92 0.00 0.00 14 T 8.57 4.89 4.25 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 0.00 0.00 0.00 1.00 0.00 0.00 15 L 8.46 4.80 0.00 1.47 1.45 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.59 4.77 0.00 1.80 1.84 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 0.00 2.19 2.23 0.00 17 V 8.25 4.73 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 0.62 0.00 0.00 0.90 0.00 0.00 18 E 9.30 4.73 0.00 1.80 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.37 0.00 19 P 0.00 4.17 0.00 2.15 2.09 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 20 S 7.91 4.25 0.00 3.96 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 21 D 8.15 4.36 0.00 2.85 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.43 4.65 4.39 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 1.22 0.00 0.00 23 I 8.60 3.77 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.95 0.90 0.00 0.00 24 E 7.94 3.97 0.00 1.93 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 2.25 2.24 0.00 25 N 7.99 4.49 0.00 3.04 2.89 0.00 0.00 6.74 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 26 V 7.95 3.55 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 1.00 0.00 0.00 0.96 0.00 0.00 27 K 8.76 4.21 0.00 1.95 1.84 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.46 7.81 28 A 8.26 4.05 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 29 K 7.98 4.13 0.00 1.99 1.84 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.59 7.81 30 I 7.58 3.81 2.19 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 1.40 1.02 0.91 0.00 0.00 31 Q 7.99 4.17 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 32 D 7.60 4.34 0.00 2.90 2.72 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 33 K 7.27 4.38 0.00 1.76 1.84 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.44 7.81 34 E 8.36 4.60 0.00 1.92 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 2.25 2.43 0.00 35 G 8.22 3.77 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 0.00 0.00 0.00 36 I 7.46 4.26 1.87 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 1.47 1.47 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.45 2.18 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 38 P 0.00 4.29 0.00 2.20 2.15 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.13 4.31 0.00 2.78 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 40 Q 8.21 4.39 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 41 Q 8.14 4.97 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 42 R 8.62 4.62 0.00 1.87 1.81 0.00 3.17 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 43 L 8.53 5.30 0.00 1.60 1.52 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.92 5.06 1.92 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 1.13 1.07 0.90 0.00 0.00 45 F 8.89 5.01 0.00 3.00 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 46 A 9.67 3.59 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.47 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 0.00 0.00 0.00 48 K 7.96 4.40 0.00 1.82 1.80 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.63 7.81 49 Q 8.53 4.48 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.35 4.18 0.00 1.45 1.31 0.79 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.99 4.53 0.00 2.13 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 2.36 2.43 0.00 52 D 9.10 4.42 0.00 2.76 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 53 G 8.06 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 54 R 7.85 4.58 0.00 2.26 1.81 0.00 3.13 0.00 0.00 2.59 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 55 T 8.00 4.75 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 1.20 0.00 0.00 56 L 8.44 4.04 0.00 1.88 1.70 0.93 0.91 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 57 S 7.88 4.36 0.00 4.04 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 58 D 7.82 4.27 0.00 2.78 2.41 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 0.00 59 Y 7.34 4.35 0.00 3.01 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 60 N 7.72 4.10 0.00 2.88 2.92 0.00 0.00 7.11 7.29 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 61 I 8.00 3.76 1.74 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.25 0.59 0.00 0.00 62 Q 8.06 4.76 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.09 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 63 R 8.34 3.96 0.00 1.91 1.93 0.00 3.17 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 64 E 8.90 4.06 0.00 2.30 2.46 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 2.36 2.34 0.00 65 S 7.64 4.55 0.00 3.81 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 66 T 8.65 5.11 4.29 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 1.23 0.00 0.00 67 L 9.58 5.05 0.00 1.50 1.69 0.88 0.89 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 68 H 9.29 5.30 0.00 3.01 3.17 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.07 5.09 0.00 1.56 1.70 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.57 4.41 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 0.92 0.00 0.00 0.94 0.00 0.00 71 L 8.56 4.85 0.00 1.57 1.57 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.83 4.35 0.00 1.79 1.89 0.00 3.14 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 73 L 8.39 4.43 0.00 1.62 1.70 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.73 4.62 0.00 1.71 1.77 0.00 3.28 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 75 G 8.65 3.82 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 0.00 0.00 0.00 76 G 7.98 3.77 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 0.00 0.00 0.00