NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2320 0.0000 0.0000 63.3832 32.2869 173.6223 17 S 3.8327 8.8551 115.9505 57.3309 63.4906 170.1936 18 R 4.4345 8.2506 125.4536 55.3944 32.8655 171.6401 19 K 4.7330 8.3053 117.7624 55.3191 33.9858 176.1985 20 A 4.0915 8.3989 120.2114 51.6768 18.9646 177.3897 21 K 4.0730 8.4500 120.8848 56.5081 31.9638 176.5388 22 V 4.7129 7.8367 125.6816 61.0544 35.9862 171.2080 23 K 4.7123 9.3609 132.0422 57.3985 38.4898 177.3723 24 A 4.5865 8.9387 113.6408 51.1066 19.5026 176.6965 25 T 3.8300 7.2269 118.3547 65.7126 69.5344 178.2184 26 L 4.2977 7.8156 126.2001 55.6486 42.9706 177.6760 27 G 3.2348 7.6362 102.7232 46.3830 0.0000 175.1564 28 E 3.5460 7.6418 120.0795 58.5631 29.9062 177.5314 29 F 4.6174 5.9297 113.3058 57.7996 39.8714 173.6609 30 D 4.5793 8.3416 114.9064 54.3523 43.5877 177.5587 31 L 4.4132 8.6879 127.2707 54.3708 41.3699 177.0401 32 R 4.8035 7.8468 118.2432 57.5313 37.0226 174.7540 33 D 4.5768 8.5227 118.0124 54.6286 41.5700 175.1417 34 Y 4.2611 8.7122 123.5927 59.4347 39.1771 176.7576 35 R 4.0888 8.3173 119.0221 58.9159 30.4785 175.9476 36 N 5.1245 7.5556 113.2544 51.9704 39.2505 174.9816 37 V 3.6189 7.6035 117.0134 63.4269 32.1597 173.2937 38 E 4.6559 7.8037 124.7439 55.6633 35.2428 176.8470 39 V 4.0068 7.7876 119.0720 65.2324 31.2440 178.3471 40 L 4.0773 7.8334 117.6427 56.5399 41.7718 177.4469 41 K 4.3076 8.2704 118.4099 58.5292 33.2498 177.3733 42 R 3.7998 7.9730 117.9382 59.9158 30.0734 177.1757 43 F 4.1701 8.1066 116.8264 58.6011 39.4094 175.8607 44 L 4.2812 7.2074 121.9052 53.9057 42.5620 176.4396 45 S 4.2743 8.2947 116.2523 58.6197 63.3325 174.5093 46 E 4.3582 8.5905 120.4924 57.0600 29.2108 175.8844 47 T 4.7128 7.3312 115.4929 61.8149 72.3197 173.7924 48 G 3.7118 8.7334 110.1891 46.4396 0.0000 174.4099 49 K 3.6535 7.9877 119.4140 56.5908 32.1913 176.3830 50 I 3.5794 8.3209 125.0589 61.2289 37.1509 175.7648 51 L 3.8214 8.6525 125.3315 54.8522 41.0091 175.1020 52 P 4.3795 0.0000 0.0000 63.6266 32.1279 176.1282 53 R 5.1251 7.5107 118.3016 58.4521 37.7400 176.7469 54 R 3.9106 8.0819 115.8474 58.4632 29.5080 177.8368 55 R 4.1130 8.7602 125.4120 58.8891 31.1451 178.8119 56 T 3.6618 7.5239 114.4498 64.9184 68.9051 175.0210 57 G 4.3147 8.0301 114.5778 45.7965 0.0000 175.0126 58 L 4.2635 7.1340 120.5697 53.8913 43.3951 178.4460 59 S 4.4340 8.3785 120.8008 58.6263 67.6367 177.8070 60 G 4.1503 8.4768 109.2555 46.0315 0.0000 175.6654 61 K 3.9152 7.8171 121.5082 59.4225 32.2764 177.7282 62 E 4.4056 8.0589 115.6617 56.4075 29.4802 176.6210 63 Q 4.4804 7.8650 121.3344 56.3237 31.2297 177.5468 64 R 3.8978 7.5273 115.5696 59.3985 30.3880 177.7893 65 I 4.0928 7.6004 116.8625 62.8347 38.2690 177.6684 66 L 3.8938 8.1246 121.5924 58.1944 41.5564 178.4124 67 A 3.9596 7.8880 120.4607 55.6052 18.2892 179.8269 68 K 4.0774 8.0832 116.2115 59.4345 31.9618 179.6777 69 T 3.9734 7.9281 115.1326 66.2744 68.6346 175.4697 70 I 4.3009 7.7730 120.6868 62.6363 38.0544 177.8522 71 K 3.9488 8.0575 120.5278 59.2574 31.8579 178.6959 72 R 3.9252 7.9262 118.0418 59.4114 29.7723 178.2947 73 A 4.1511 7.9552 119.1785 56.1428 18.4933 179.1178 74 R 4.7365 8.0933 117.2055 59.3996 29.8517 179.0738 75 I 3.7761 7.6474 121.4608 64.2386 37.6831 177.5000 76 L 4.4186 8.4148 118.8301 54.1440 41.4240 179.2374 77 G 4.0509 8.5857 108.2833 46.1585 0.0000 175.9738 78 L 4.0123 7.7632 120.8056 57.4908 42.5247 176.7865 79 L 4.9364 7.4295 116.8913 52.5535 47.1573 174.5533 80 P 5.0049 0.0000 0.0000 62.8350 29.8764 175.7247 81 F 4.8227 9.2241 113.7344 59.1020 41.1023 173.7733 82 T 4.6254 7.6045 111.0864 61.1196 70.8191 171.9695 83 E 4.7876 8.3965 122.8123 55.0418 31.2774 175.5577 84 K 4.7342 8.3301 118.9716 55.7947 35.7589 175.3328 85 L 4.5022 7.8806 120.6409 54.5470 44.2505 174.6733 86 V 4.3844 7.7067 115.1541 62.6507 34.4794 176.4675 87 R 3.8275 9.0538 122.0944 55.5281 27.9045 176.3723 88 K 4.1240 7.5965 123.9528 56.9339 33.7132 174.5676 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 16 P 0.00 4.23 0.00 2.19 2.11 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 17 S 8.86 3.83 0.00 4.10 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 18 R 8.25 4.43 0.00 1.74 1.68 0.00 3.24 0.00 0.00 3.16 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 19 K 8.31 4.73 0.00 1.71 1.61 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.38 7.81 20 A 8.40 4.09 1.24 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 0.00 0.00 21 K 8.45 4.07 0.00 1.73 1.80 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.52 7.81 22 V 7.84 4.71 2.16 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 1.15 0.00 0.00 0.99 0.00 0.00 23 K 9.36 4.71 0.00 1.72 1.28 0.00 1.66 0.00 0.00 2.38 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.32 7.81 24 A 8.94 4.59 1.22 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 0.00 0.00 0.00 25 T 7.23 3.83 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 1.27 0.00 0.00 26 L 7.82 4.30 0.00 1.90 1.82 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.64 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.64 3.55 0.00 1.88 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 2.27 2.26 0.00 29 F 5.93 4.62 0.00 3.05 3.15 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 30 D 8.34 4.58 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.69 4.41 0.00 1.70 1.68 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.85 4.80 0.00 1.76 2.18 0.00 3.35 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 33 D 8.52 4.58 0.00 2.86 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 34 Y 8.71 4.26 0.00 2.93 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 35 R 8.32 4.09 0.00 1.82 2.03 0.00 3.38 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 36 N 7.56 5.12 0.00 2.68 2.76 0.00 0.00 6.96 7.56 0.00 0.00 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 V 7.60 3.62 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 0.60 0.00 0.00 0.67 0.00 0.00 38 E 7.80 4.66 0.00 2.01 1.70 0.00 0.00 0.00 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 2.36 0.00 39 V 7.79 4.01 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 0.48 0.00 0.00 0.57 0.00 0.00 40 L 7.83 4.08 0.00 1.50 1.66 0.51 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.27 4.31 0.00 1.70 1.86 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.38 7.81 42 R 7.97 3.80 0.00 1.99 1.77 0.00 2.21 0.00 0.00 2.39 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 43 F 8.11 4.17 0.00 2.99 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.21 4.28 0.00 1.66 1.70 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.29 4.27 0.00 4.02 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 46 E 8.59 4.36 0.00 1.96 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 2.27 2.29 0.00 47 T 7.33 4.71 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 48 G 8.73 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.99 3.65 0.00 1.72 1.77 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 50 I 8.32 3.58 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.38 0.88 0.00 0.00 51 L 8.65 3.82 0.00 1.61 1.66 0.95 1.14 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 52 P 0.00 4.38 0.00 2.03 1.96 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 53 R 7.51 5.13 0.00 1.72 1.86 0.00 3.34 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 54 R 8.08 3.91 0.00 1.95 1.74 0.00 3.24 0.00 0.00 3.33 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 55 R 8.76 4.11 0.00 1.83 1.99 0.00 3.29 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 56 T 7.52 3.66 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 1.20 0.00 0.00 57 G 8.03 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.13 4.26 0.00 1.61 1.52 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.38 4.43 0.00 3.93 3.74 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 60 G 8.48 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 0.00 0.00 0.00 61 K 7.82 3.92 0.00 1.62 1.81 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.41 7.81 62 E 8.06 4.41 0.00 1.97 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 2.29 2.28 0.00 63 Q 7.86 4.48 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 64 R 7.53 3.90 0.00 1.94 2.00 0.00 3.20 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 65 I 7.60 4.09 1.88 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 1.30 0.85 0.92 0.00 0.00 66 L 8.12 3.89 0.00 1.91 1.76 0.89 1.31 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 67 A 7.89 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.08 4.08 0.00 1.86 1.88 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 69 T 7.93 3.97 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 70 I 7.77 4.30 1.88 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 1.37 0.89 0.90 0.00 0.00 71 K 8.06 3.95 0.00 2.07 1.84 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 72 R 7.93 3.93 0.00 1.95 1.94 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.07 0.00 73 A 7.96 4.15 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.09 4.74 0.00 2.17 2.01 0.00 3.20 0.00 0.00 3.44 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.59 0.00 75 I 7.65 3.78 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 1.67 0.50 0.92 0.00 0.00 76 L 8.41 4.42 0.00 1.70 1.66 0.82 0.80 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 77 G 8.59 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 4.01 0.00 1.71 1.91 1.20 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.43 4.94 0.00 1.87 1.51 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 5.00 0.00 2.26 1.27 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 81 F 9.22 4.82 0.00 2.86 3.08 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 0.00 0.00 0.00 0.00 82 T 7.60 4.63 4.17 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 0.00 0.00 0.00 1.30 0.00 0.00 83 E 8.40 4.79 0.00 2.08 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 0.00 2.24 2.30 0.00 84 K 8.33 4.73 0.00 1.67 1.67 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.45 7.81 85 L 7.88 4.50 0.00 1.52 1.52 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.71 4.38 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 0.96 0.00 0.00 0.93 0.00 0.00 87 R 9.05 3.83 0.00 2.01 2.04 0.00 3.57 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 88 K 7.60 4.12 0.00 1.87 1.73 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.36 7.81