NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 L 4.2878 8.1849 120.6278 54.6082 43.3035 176.3062 26 S 4.4454 8.9616 116.5685 57.5024 65.1695 172.5540 27 E 4.1211 8.4702 123.2812 59.2470 29.4883 179.0835 28 E 3.9894 8.1439 116.8762 59.5122 29.5182 178.9222 29 Q 4.4252 8.2475 120.0375 58.0744 28.8666 178.5546 30 K 4.1211 8.1421 119.9539 60.0667 32.5815 178.9881 31 Q 3.9474 8.3570 119.3318 58.9599 28.4131 178.7790 32 E 4.0066 7.9573 118.9077 59.6711 29.5392 179.6897 33 I 3.8901 7.7007 119.1159 64.4243 37.3096 178.2486 34 K 4.3696 9.2656 121.4562 59.1021 31.8764 178.4115 35 E 3.6800 8.8966 120.1281 59.1794 29.4981 178.7137 36 A 3.6324 7.7675 120.5498 54.7723 18.3973 179.4227 37 F 4.0150 8.3722 119.2735 61.6582 39.3300 177.1851 38 D 4.2689 8.7471 118.2907 56.9572 40.5624 178.4442 39 L 3.9141 7.0255 120.4054 58.1412 42.2496 178.6870 40 F 4.8577 7.7988 115.8011 58.6076 39.9168 175.8367 41 D 4.4242 8.1165 119.3156 54.4904 38.7677 175.6713 42 T 4.3190 8.3369 115.5732 61.9652 70.5678 176.9581 43 N 4.2397 9.2404 120.9034 54.2071 39.1305 172.6679 44 K 4.1942 7.5590 117.3702 55.8780 29.8777 174.1558 45 T 4.2030 8.5656 113.3964 61.1415 71.8835 173.5852 46 G 4.0641 9.9086 109.2149 46.5554 0.0000 173.4000 47 S 5.1626 8.0075 113.5895 56.9376 67.1793 173.2976 48 I 4.6188 8.8331 124.2246 59.5700 40.1897 174.0648 49 D 5.0611 9.1428 128.6073 52.4405 42.6691 176.7835 50 Y 4.1518 8.3409 120.6155 59.9521 37.5072 177.9431 51 H 4.0445 8.0969 120.4100 59.0850 30.0564 176.3019 52 E 4.2719 7.7499 118.8396 57.8904 29.7736 178.0254 53 L 3.9682 7.9568 120.6844 57.7729 41.7113 179.0909 54 K 3.9418 7.4511 119.1443 59.6407 32.0525 179.3983 55 V 3.6740 7.5625 111.1053 63.1975 31.5740 178.4955 56 A 2.5800 6.9896 121.3931 54.8317 18.3195 179.6325 57 M 4.2433 8.7858 116.3293 58.1994 30.9770 178.7505 58 R 3.7864 7.4532 118.9787 59.4445 30.4299 177.9694 59 A 4.2016 7.7025 119.0946 55.0234 18.4338 179.3374 60 L 4.0685 7.8888 116.9698 58.0747 43.1382 178.4293 61 G 4.0662 7.6618 108.0128 46.2279 0.0000 171.7133 62 F 5.0216 7.4673 119.8381 56.1508 43.1283 174.6974 63 D 4.6330 8.5773 120.0601 53.5229 41.8474 174.5531 64 V 4.2333 7.8543 118.1917 59.3645 34.3682 177.6319 65 K 3.9570 8.1321 118.5381 55.2180 31.2796 174.8424 66 K 4.0678 8.5388 118.6379 59.8026 32.0434 177.3356 67 P 4.2142 0.0000 0.0000 65.7603 31.5058 177.9963 68 E 3.9620 7.7385 115.3021 57.4434 29.6931 178.4358 69 I 3.8562 7.4784 119.5630 63.4364 38.2294 177.4186 70 L 4.0271 7.6720 120.2260 58.4714 40.5964 178.5750 71 E 3.8714 7.6827 119.7054 58.3559 29.0019 178.2610 72 L 3.8817 7.6212 121.0151 58.5808 42.1890 178.9907 73 M 2.5500 7.5215 115.5821 57.5367 30.9872 177.9833 74 N 4.1008 7.5641 117.7304 56.3498 39.1715 176.0721 75 E 4.0970 8.1325 119.7163 59.5313 29.8077 178.4256 76 Y 4.5199 6.7979 113.1773 56.0503 39.3247 175.1800 77 D 4.3681 7.0895 121.6592 54.7900 42.1059 176.9905 78 R 4.6891 8.1812 120.8586 55.6484 32.2918 175.8331 79 E 4.4330 8.6102 113.1295 55.0880 28.6939 175.0267 80 G 4.1606 7.8050 106.9947 46.0483 0.0000 167.6401 81 N 4.8445 8.5242 127.0125 54.7166 40.4808 172.2467 82 G 4.5830 9.2464 117.5859 45.8157 0.0000 172.4514 83 Y 5.7562 7.7985 115.1412 55.5976 40.7403 174.3648 84 I 4.7033 8.4019 112.7634 60.3315 41.4868 173.7618 85 G 4.4403 8.8319 109.7046 44.6117 0.0000 174.6796 86 F 3.8470 8.9424 121.5157 61.3021 38.6499 176.7029 87 D 4.1053 8.0980 117.0268 57.3927 40.8337 177.8118 88 D 4.3852 7.9007 118.6008 56.8717 41.2270 177.9900 89 F 4.3651 7.9659 120.7392 60.4604 39.5448 177.1165 90 L 3.5011 7.5218 120.4051 57.7722 41.6717 177.8966 91 D 4.8980 7.2191 115.8260 55.1622 41.3307 177.1487 92 I 3.9406 6.8200 119.2270 64.3514 37.8258 177.6181 93 M 3.9919 7.2193 117.4802 57.5966 32.0946 177.3192 94 T 4.2438 8.1402 108.1706 61.8927 69.8822 176.3676 95 E 3.8371 7.9619 124.3201 59.2943 29.6794 178.4890 96 K 4.2066 8.0592 118.0330 58.7336 32.5779 178.2629 97 I 3.9631 7.4189 113.3219 63.0743 38.6575 177.3376 98 K 4.1087 8.0082 120.4301 57.4838 33.4893 176.4276 99 N 4.9632 8.4031 117.9390 51.9989 38.3064 174.1169 100 R 5.1464 7.7909 111.8093 55.5201 30.2997 177.0127 101 D 4.5087 7.6612 124.1175 54.8581 41.2441 175.6511 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 25 L 8.18 4.29 0.00 1.66 1.83 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.96 4.45 0.00 3.87 3.78 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 0.00 0.00 0.00 27 E 8.47 4.12 0.00 1.99 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 2.41 2.32 0.00 28 E 8.14 3.99 0.00 2.13 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 0.00 2.29 2.42 0.00 29 Q 8.25 4.43 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 30 K 8.14 4.12 0.00 2.21 2.29 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.78 1.60 7.81 31 Q 8.36 3.95 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.75 2.58 0.00 32 E 7.96 4.01 0.00 2.20 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 2.36 2.59 0.00 33 I 7.70 3.89 2.26 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.64 1.13 0.00 0.00 34 K 9.27 4.37 0.00 1.71 1.88 0.00 1.35 0.00 0.00 0.69 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.32 7.81 35 E 8.90 3.68 0.00 2.16 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 2.27 2.31 0.00 36 A 7.77 3.63 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.37 4.02 0.00 3.51 3.24 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 0.00 38 D 8.75 4.27 0.00 2.56 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.03 3.91 0.00 1.38 1.19 0.82 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.80 4.86 0.00 2.87 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 41 D 8.12 4.42 0.00 2.18 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 0.00 0.00 0.00 0.00 42 T 8.34 4.32 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 1.29 0.00 0.00 43 N 9.24 4.24 0.00 2.84 2.95 0.00 0.00 7.20 5.12 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 44 K 7.56 4.19 0.00 1.95 1.81 0.00 1.71 0.00 0.00 1.46 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.29 7.81 45 T 8.57 4.20 4.19 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 1.25 0.00 0.00 46 G 9.91 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.01 5.16 0.00 3.80 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.83 4.62 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.54 1.19 0.00 0.00 49 D 9.14 5.06 0.00 1.58 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 0.00 0.00 0.00 50 Y 8.34 4.15 0.00 3.21 3.11 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 0.00 0.00 0.00 51 H 8.10 4.04 0.00 2.65 3.07 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.75 4.27 0.00 2.08 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 0.00 2.37 2.29 0.00 53 L 7.96 3.97 0.00 1.93 1.91 1.18 0.64 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 54 K 7.45 3.94 0.00 1.98 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.76 7.81 55 V 7.56 3.67 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.82 0.00 0.00 56 A 6.99 2.58 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.79 4.24 0.00 2.46 2.74 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.68 0.00 58 R 7.45 3.79 0.00 1.99 2.16 0.00 3.28 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 59 A 7.70 4.20 1.67 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 0.00 0.00 60 L 7.89 4.07 0.00 1.64 1.16 1.18 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.66 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.47 5.02 0.00 3.03 2.92 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 63 D 8.58 4.63 0.00 2.60 2.58 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 64 V 7.85 4.23 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 0.89 0.00 0.00 0.97 0.00 0.00 65 K 8.13 3.96 0.00 1.89 1.88 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.48 7.81 66 K 8.54 4.07 0.00 1.78 1.80 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.47 7.81 67 P 0.00 4.21 0.00 2.19 2.07 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 68 E 7.74 3.96 0.00 2.15 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 2.34 2.44 0.00 69 I 7.48 3.86 2.17 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 1.00 0.00 0.00 70 L 7.67 4.03 0.00 1.34 1.70 0.92 0.34 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 71 E 7.68 3.87 0.00 1.87 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 2.25 2.30 0.00 72 L 7.62 3.88 0.00 2.08 1.87 0.72 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 73 M 7.52 2.55 0.00 2.37 2.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 74 N 7.56 4.10 0.00 2.83 3.12 0.00 0.00 7.07 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 75 E 8.13 4.10 0.00 2.10 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 2.32 2.63 0.00 76 Y 6.80 4.52 0.00 2.86 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 77 D 7.09 4.37 0.00 2.74 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 78 R 8.18 4.69 0.00 2.02 2.05 0.00 3.18 0.00 0.00 3.51 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 79 E 8.61 4.43 0.00 2.12 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 2.29 2.27 0.00 80 G 7.81 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.52 4.84 0.00 2.89 2.92 0.00 0.00 7.50 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 9.25 4.58 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 83 Y 7.80 5.76 0.00 2.88 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 84 I 8.40 4.70 2.16 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.85 1.15 0.00 0.00 85 G 8.83 4.44 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 0.00 86 F 8.94 3.85 0.00 2.64 2.97 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 87 D 8.10 4.11 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.90 4.39 0.00 3.03 2.90 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 89 F 7.97 4.37 0.00 3.26 3.09 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 0.00 0.00 0.00 0.00 90 L 7.52 3.50 0.00 1.46 1.39 0.49 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 91 D 7.22 4.90 0.00 2.57 2.47 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 92 I 6.82 3.94 1.67 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.30 0.84 0.00 0.00 93 M 7.22 3.99 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.23 0.00 94 T 8.14 4.24 4.16 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 0.00 0.00 0.00 1.15 0.00 0.00 95 E 7.96 3.84 0.00 2.10 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 0.00 2.27 2.25 0.00 96 K 8.06 4.21 0.00 2.13 2.25 0.00 1.42 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.77 7.81 97 I 7.42 3.96 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.51 0.89 0.00 0.00 98 K 8.01 4.11 0.00 1.76 2.15 0.00 1.72 0.00 0.00 1.60 0.00 0.00 3.32 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.55 7.81 99 N 8.40 4.96 0.00 2.74 2.63 0.00 0.00 6.89 7.20 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 0.00 100 R 7.79 5.15 0.00 1.96 2.19 0.00 2.64 0.00 0.00 3.80 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 101 D 7.66 4.51 0.00 2.57 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00