NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4716 8.3349 116.7969 58.2026 63.2119 174.1092 2 R 4.1019 8.2456 127.1749 55.4369 27.3414 169.3293 3 V 4.6858 7.6243 117.4700 60.5919 35.6246 174.0527 4 C 4.2715 9.0057 128.5807 59.3171 31.4585 174.2668 5 Q 4.1302 8.4928 127.5685 58.1823 28.5550 177.9367 6 V 4.1081 7.7878 115.9899 62.2130 32.6830 176.5551 7 T 4.3051 8.0429 107.6743 60.8053 69.8134 175.2262 8 G 3.8740 8.2971 110.8451 45.0103 0.0000 173.2164 9 K 3.7494 7.7300 119.4839 57.0759 31.9565 176.1638 10 R 5.2706 8.0333 118.8489 52.3274 32.2217 173.6370 11 P 4.7087 0.0000 0.0000 62.7423 32.3220 176.0974 12 V 4.7549 9.0200 115.2216 59.9252 36.0467 174.3900 13 T 5.1772 8.2274 111.1071 60.7204 71.5596 173.4231 14 G 4.3430 8.4681 108.3919 46.5192 0.0000 171.6893 15 N 5.6407 8.7148 117.6326 51.6484 40.5485 174.7668 16 N 4.5516 8.8448 115.3181 53.5960 40.5965 174.2252 17 R 3.6457 7.6772 118.7709 56.1830 28.1468 176.0990 18 S 4.5863 8.0900 117.9820 57.4672 65.2601 174.5964 19 H 4.0753 8.9621 116.2564 59.3542 28.3373 177.0546 20 A 4.0278 8.0002 119.9441 53.2919 18.2471 176.8857 21 L 3.6871 7.7355 114.4580 55.8525 39.3084 174.2633 22 N 4.8221 8.2366 116.4821 51.9400 39.9419 175.0946 23 A 4.3270 8.6605 127.0399 52.0474 19.6269 176.5498 24 T 4.5939 8.4137 112.0387 59.4312 71.8338 173.7762 25 K 4.6317 8.8117 125.8666 57.0781 33.2500 176.1349 26 R 4.5606 8.4770 118.2253 55.8405 33.1739 173.3608 27 R 5.0925 8.1687 116.5145 54.7185 33.8968 175.0401 28 F 4.9451 9.1784 121.8297 55.9700 41.2470 174.9047 29 L 5.1480 8.3011 121.3098 53.4554 43.6243 174.2982 30 P 4.4399 0.0000 0.0000 62.5598 32.1472 176.8372 31 N 4.6623 8.4572 120.1179 53.3290 38.0014 174.1935 32 L 4.9430 7.9410 124.1183 54.2903 43.4051 175.4721 33 H 4.7384 9.7364 114.1247 55.4484 35.9006 174.5136 34 S 4.2258 8.2941 105.8263 58.4655 61.0296 170.2057 35 H 4.7195 8.0667 125.0033 54.2050 33.2552 172.4222 36 R 4.3106 7.7582 124.5304 55.4749 30.5129 175.2816 37 F 5.0610 8.8759 126.0742 55.9419 41.2896 175.0913 38 W 5.4167 9.2416 132.2441 57.1697 31.4274 175.7786 39 V 3.8218 6.6395 118.7811 61.8931 32.4685 176.9182 40 E 3.8964 6.4101 125.4849 57.2373 29.1582 175.9067 41 S 4.1997 7.7204 110.0758 60.3583 62.4563 173.8664 42 E 4.4565 7.4172 115.2844 55.3263 31.7961 175.8567 43 K 3.2455 7.0812 114.4325 55.4741 29.4437 173.1251 44 R 4.1480 5.8400 120.0806 55.8869 34.0040 173.1676 45 F 6.0050 8.7579 121.6570 55.2553 39.6631 175.2097 46 V 3.9192 8.3972 117.6600 61.2789 32.7194 175.6283 47 T 5.5108 8.3423 120.6214 59.2618 66.4777 173.1838 48 L 4.2698 8.3028 125.0403 54.4935 43.8818 176.4451 49 R 4.7947 8.6899 122.8009 55.2508 30.1457 174.9259 50 V 4.7787 8.2509 125.1851 60.7122 35.1109 173.9187 51 S 5.7373 8.6922 118.7902 56.2909 64.9423 173.3526 52 A 4.0916 8.5979 124.2937 54.0632 18.5376 176.4557 53 K 4.4568 9.5453 128.5185 56.6881 31.6756 178.5554 54 G 3.8899 8.0817 104.7178 48.4369 0.0000 174.9911 55 M 4.1489 8.4552 121.3650 58.2635 31.8513 178.8606 56 R 3.8883 8.1950 117.0188 59.5826 30.4431 178.9194 57 V 3.6720 8.1256 118.2535 65.8866 31.5883 177.7854 58 I 3.5223 7.4497 119.1826 64.8481 36.8507 177.9172 59 D 4.4215 8.0931 117.4766 56.9882 40.6109 176.8568 60 K 4.2973 8.2545 118.3422 57.7053 33.5234 177.4578 61 K 3.9514 7.7790 120.4514 57.3904 32.9261 178.4260 62 G 4.0061 7.7617 105.1558 45.5080 0.0000 174.6095 63 I 3.5486 8.2178 121.9005 64.1246 37.0601 178.5983 64 D 4.2788 7.9878 119.2805 57.4594 40.5948 178.7150 65 T 3.9648 7.6699 115.8367 66.1701 68.4815 177.1340 66 V 3.5146 7.3403 119.4879 65.8500 31.7585 177.9131 67 L 3.6567 8.4363 118.4208 56.6398 41.2723 179.2796 68 A 4.0208 7.4400 121.1755 54.5930 18.3581 177.7168 69 E 4.1685 7.4696 114.4971 57.2593 29.8645 175.4749 70 L 3.9137 8.1680 121.0475 55.8123 40.1027 176.9103 71 R 3.9336 7.9521 116.0922 59.8250 30.1107 178.7528 72 A 3.9853 7.8900 117.8544 53.6345 18.5556 177.8542 73 R 4.3134 7.4455 114.4874 55.5978 31.3031 175.9557 74 G 3.9599 8.6681 109.5190 46.3162 0.0000 174.4969 75 E 4.0133 8.2016 118.7842 55.6844 29.6690 176.2950 76 K 3.9350 8.0936 120.1425 54.4000 33.2551 176.6599 77 Y 4.0751 8.1102 122.7544 56.6659 39.2847 170.8647 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 S 8.33 4.47 0.00 3.89 3.93 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 2 R 8.25 4.10 0.00 1.96 1.90 0.00 3.07 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 3 V 7.62 4.69 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 0.81 0.00 0.00 0.94 0.00 0.00 4 C 9.01 4.27 0.00 3.01 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 5 Q 8.49 4.13 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 6 V 7.79 4.11 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 0.76 0.00 0.00 0.88 0.00 0.00 7 T 8.04 4.31 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 1.21 0.00 0.00 8 G 8.30 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 9 K 7.73 3.75 0.00 1.88 1.83 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.41 7.81 10 R 8.03 5.27 0.00 1.90 1.92 0.00 2.65 0.00 0.00 3.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 11 P 0.00 4.71 0.00 1.99 2.06 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 12 V 9.02 4.75 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 0.74 0.00 0.00 0.97 0.00 0.00 13 T 8.23 5.18 4.30 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 0.00 0.00 0.00 1.25 0.00 0.00 14 G 8.47 4.34 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 0.00 15 N 8.71 5.64 0.00 2.65 2.80 0.00 0.00 7.18 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.84 4.55 0.00 2.57 2.83 0.00 0.00 6.92 7.66 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 17 R 7.68 3.65 0.00 2.01 1.99 0.00 3.34 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 18 S 8.09 4.59 0.00 4.02 4.04 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 0.00 0.00 0.00 19 H 8.96 4.08 0.00 3.11 3.42 0.00 5.91 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 20 A 8.00 4.03 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 0.00 0.00 0.00 0.00 0.00 21 L 7.74 3.69 0.00 1.83 1.83 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.24 4.82 0.00 2.66 2.75 0.00 0.00 6.97 7.01 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 23 A 8.66 4.33 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.41 4.59 4.22 0.00 0.00 0.00 0.00 0.00 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 25 K 8.81 4.63 0.00 1.66 1.79 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.40 7.81 26 R 8.48 4.56 0.00 1.75 1.93 0.00 2.21 0.00 0.00 2.71 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 27 R 8.17 5.09 0.00 1.62 1.82 0.00 3.19 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 28 F 9.18 4.95 0.00 2.99 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 29 L 8.30 5.15 0.00 1.61 1.62 0.93 0.68 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 30 P 0.00 4.44 0.00 2.08 2.04 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 31 N 8.46 4.66 0.00 2.82 2.77 0.00 0.00 6.94 6.66 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 32 L 7.94 4.94 0.00 1.51 1.59 0.95 1.08 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 33 H 9.74 4.74 0.00 3.08 3.28 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.29 4.23 0.00 4.06 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 35 H 8.07 4.72 0.00 2.95 2.40 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.76 4.31 0.00 1.51 1.28 0.00 2.98 0.00 0.00 3.04 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.52 0.00 37 F 8.88 5.06 0.00 3.28 2.99 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 38 W 9.24 5.42 0.00 3.89 3.21 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 39 V 6.64 3.82 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 0.63 0.00 0.00 0.37 0.00 0.00 40 E 6.41 3.90 0.00 2.40 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 0.00 2.32 2.44 0.00 41 S 7.72 4.20 0.00 3.88 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 42 E 7.42 4.46 0.00 1.78 1.75 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 2.17 2.26 0.00 43 K 7.08 3.25 0.00 1.68 1.80 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.58 7.81 44 R 5.84 4.15 0.00 1.72 1.58 0.00 3.15 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 45 F 8.76 6.01 0.00 3.11 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 46 V 8.40 3.92 2.35 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 1.04 0.00 0.00 1.06 0.00 0.00 47 T 8.34 5.51 4.27 0.00 0.00 0.00 0.00 0.00 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 48 L 8.30 4.27 0.00 2.00 1.72 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.69 4.79 0.00 1.93 1.88 0.00 3.16 0.00 0.00 3.29 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 50 V 8.25 4.78 2.29 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 1.08 0.00 0.00 1.14 0.00 0.00 51 S 8.69 5.74 0.00 4.02 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 52 A 8.60 4.09 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 53 K 9.55 4.46 0.00 1.86 2.20 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.32 7.81 54 G 8.08 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 0.00 0.00 0.00 55 M 8.46 4.15 0.00 2.11 2.16 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 2.72 2.82 0.00 56 R 8.19 3.89 0.00 1.93 2.04 0.00 3.21 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 57 V 8.13 3.67 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 0.99 0.00 0.00 0.97 0.00 0.00 58 I 7.45 3.52 1.88 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.02 0.67 0.00 0.00 59 D 8.09 4.42 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.25 4.30 0.00 1.67 1.81 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.43 7.81 61 K 7.78 3.95 0.00 1.82 1.83 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.49 7.81 62 G 7.76 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 0.00 0.00 0.00 63 I 8.22 3.55 1.75 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.60 0.00 0.00 64 D 7.99 4.28 0.00 2.63 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 65 T 7.67 3.96 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 1.17 0.00 0.00 66 V 7.34 3.51 1.87 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 0.68 0.00 0.00 0.88 0.00 0.00 67 L 8.44 3.66 0.00 1.42 0.93 0.63 0.43 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 68 A 7.44 4.02 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 69 E 7.47 4.17 0.00 2.06 1.91 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 2.31 2.49 0.00 70 L 8.17 3.91 0.00 1.91 1.84 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.95 3.93 0.00 2.24 2.24 0.00 3.21 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 72 A 7.89 3.99 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 73 R 7.45 4.31 0.00 1.83 2.05 0.00 3.42 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 74 G 8.67 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.20 4.01 0.00 2.03 2.01 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 2.36 2.37 0.00 76 K 8.09 3.93 0.00 1.85 1.76 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.48 7.81 77 Y 8.11 4.08 0.00 3.19 3.04 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 0.00 0.00 0.00