NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.3411 8.3044 118.1923 55.1974 32.7337 174.5730 5 D 4.3589 8.1176 117.2730 49.6740 43.4512 173.4099 6 P 4.2357 0.0000 0.0000 65.8579 31.4636 177.5307 7 L 3.8406 7.9805 119.1303 57.9470 42.1321 178.3836 8 A 3.8972 8.1622 120.6661 55.2584 18.1360 179.1343 9 N 4.1648 8.1154 114.8953 56.7652 39.1044 176.7901 10 A 3.9889 8.2158 122.4804 55.3878 18.3770 179.6832 11 L 3.8396 8.1403 117.6284 57.9433 41.5753 179.5108 12 N 4.2726 8.3197 116.6368 56.4156 38.3750 177.0071 13 H 4.1764 8.4865 119.9067 59.3303 29.8640 177.4232 14 I 3.6095 7.7365 121.6602 64.2457 36.6903 178.3289 15 S 4.0064 8.2168 114.1823 61.6651 62.1507 176.1276 16 N 4.4766 8.3751 119.2486 56.2994 38.3138 177.0244 17 C 4.2634 8.2959 117.6333 61.6218 28.1329 175.4842 18 E 3.9856 7.7646 121.7489 58.9984 29.1665 178.3828 19 R 3.9399 7.5963 116.5844 59.4668 30.2147 178.9029 20 V 3.8236 7.4446 116.8147 64.1902 31.6276 176.7657 21 G 4.1159 7.7415 104.5622 44.7098 0.0000 173.9735 22 K 3.9603 7.6955 119.2965 57.1098 32.5999 176.9861 23 K 4.4409 8.5771 120.5797 57.0618 33.2645 176.1712 24 V 5.0127 7.4555 118.8235 61.6534 34.7569 173.6579 25 V 4.6184 8.5246 124.1223 60.4751 35.2082 173.0645 26 Y 4.9525 8.8151 120.4332 56.5381 39.9694 175.1166 27 I 3.9236 9.0229 126.7528 60.0694 38.1052 176.2269 28 K 4.0506 8.9625 129.5130 57.3938 32.6151 174.4059 29 P 4.1972 0.0000 0.0000 63.6500 31.9161 176.9368 30 A 4.6264 7.4443 125.8319 50.3844 18.1184 175.9261 31 S 4.5633 7.7194 119.3004 56.8065 66.0665 175.3534 32 K 4.1044 8.5082 121.7638 59.3425 31.9099 178.1185 33 L 3.9353 7.9693 120.2000 58.5067 42.0267 178.7989 34 I 3.7653 7.8409 119.4771 64.4929 37.1441 178.7131 35 G 3.3182 8.1222 106.0429 47.7307 0.0000 176.0922 36 R 4.0358 8.2462 120.5028 58.6438 29.7881 179.2923 37 V 3.5808 7.4953 117.7158 65.7431 31.6478 177.7361 38 L 3.7285 7.4444 117.8074 57.2417 41.4703 179.1754 39 K 4.3245 7.6617 119.2493 59.3994 32.2349 180.5604 40 V 3.8728 7.2437 116.6063 63.1026 31.3930 177.4453 *42 Q 4.4549 8.0688 119.2023 55.8010 30.5302 176.8203 43 D 4.4299 8.5753 116.3654 56.8787 40.9012 176.9441 44 N 4.7217 8.0439 114.5630 52.6528 38.5713 175.3161 45 G 3.8082 7.9759 105.0563 46.7254 0.0000 174.9002 46 Y 4.4470 7.8013 119.0277 58.6075 38.7185 175.3653 47 I 5.0339 7.4280 110.9490 58.8042 41.4245 175.8425 48 G 4.0812 8.8267 112.7944 46.3717 0.0000 173.2094 49 E 4.5096 9.2124 123.7522 56.3515 31.0967 177.0228 50 F 5.6327 8.0368 118.5956 55.3648 41.1514 173.2904 51 E 4.9321 9.3807 118.5535 54.6113 33.4317 173.9967 52 F 4.9374 9.1123 123.5648 57.8196 40.8445 174.6508 53 I 4.5223 8.2216 126.7570 59.0149 39.9432 174.6174 54 E 4.3954 9.0240 129.1911 56.0861 30.0821 176.1406 55 D 4.7024 8.1923 124.2195 52.8143 40.5840 176.3411 56 G 4.3233 8.1786 110.8279 46.3459 0.0000 175.2633 57 R 4.5338 7.7453 114.4284 56.2102 28.2873 178.1792 58 A 4.1327 8.7446 133.0643 53.3682 18.6637 178.7510 59 G 3.7314 8.6723 100.3917 44.9399 0.0000 172.7368 60 I 4.8561 7.0337 117.8517 58.1047 41.7777 174.5959 61 F 5.3053 9.2878 124.5813 55.8183 41.4174 174.6538 62 K 4.4365 9.4373 126.5373 55.0456 33.4317 174.9153 63 V 4.6035 8.4109 129.1891 60.9662 33.7933 174.1739 64 E 4.5126 9.2039 130.2941 55.9300 30.4424 175.3431 65 L 4.8975 8.3370 127.7394 53.0862 43.2544 176.5984 66 I 4.5312 7.8676 114.6009 60.5794 38.1598 175.7341 67 G 4.6820 8.4840 106.1136 47.6714 0.0000 174.7789 68 K 4.5296 7.6138 116.1014 55.6381 32.8251 176.1797 69 I 4.6642 7.4545 119.4631 59.8018 39.0406 175.2604 70 N 4.6878 8.5893 121.7069 55.0521 39.7290 175.3055 71 K 4.2961 7.2844 115.1762 56.5653 35.4375 173.6468 72 C 4.6058 8.3743 119.1237 57.2636 32.4408 172.8995 73 G 3.8541 6.4752 107.4092 45.0901 0.0000 171.9963 74 A 4.5854 8.2706 121.6897 51.4462 19.8889 177.2838 75 I 4.2476 8.1574 120.8885 59.6081 38.3777 175.4776 76 K 4.3447 8.5575 128.5622 53.5489 34.2137 174.2049 77 P 4.4144 0.0000 0.0000 62.1033 32.8575 177.1093 78 R 4.3720 7.6514 117.2459 53.5103 27.9706 175.6300 79 F 4.1506 7.6775 119.1583 57.5905 40.4344 172.8161 80 P 5.0044 0.0000 0.0000 62.1793 32.3172 175.7494 81 V 4.5529 9.1779 117.8460 59.2985 35.6436 175.4641 82 K 4.6641 8.3398 122.5269 54.6971 33.7728 177.7203 83 K 4.1720 8.6024 120.5387 59.7041 31.9880 177.4688 84 F 5.2582 8.0158 116.1147 57.2953 39.6223 175.3333 85 G 4.1858 8.4305 108.4160 45.7605 0.0000 175.5491 86 Y 4.4631 8.3284 120.0929 59.5657 38.1047 176.7792 87 E 4.1031 8.4907 120.5431 59.4199 29.6360 178.4448 88 K 3.5596 7.9154 118.6285 59.8540 32.0205 178.5009 89 F 4.4021 7.5467 116.9495 60.1754 38.9012 177.5781 90 E 4.0729 8.6535 118.8954 59.4250 29.1033 179.2571 91 K 3.9764 7.8400 118.2926 59.2643 32.2311 178.6145 92 R 3.7411 7.4424 117.8946 59.2026 30.0974 177.3234 93 Y 4.1480 7.7714 114.2437 57.7774 38.7817 175.9433 94 L 4.4932 7.6874 119.9379 52.2722 43.4753 175.8539 95 P 3.8030 0.0000 0.0000 65.2438 31.5481 176.4647 96 A 4.2912 7.5933 114.7424 52.0488 22.4259 177.6550 97 R 3.7298 8.0359 120.0959 59.1621 30.9584 177.2696 98 D 4.8369 8.0213 114.8546 52.9146 39.6823 176.1341 99 F 4.6099 8.9049 123.8474 58.4399 39.1478 175.3313 100 G 4.7942 9.8787 114.8709 45.3617 0.0000 169.6232 101 I 4.9898 8.8946 111.0292 59.5270 41.8218 173.8534 102 L 5.1364 8.5279 121.3320 53.0633 44.8389 175.5772 103 I 4.6305 8.6161 124.3451 59.7711 39.3411 174.8358 104 V 4.7922 8.4142 126.4775 61.0848 34.9778 174.0820 105 S 4.8457 9.2043 122.6654 57.3385 63.7132 173.1271 106 T 5.0379 8.5910 118.1453 59.7690 71.5289 175.2456 107 T 3.9712 8.6591 115.0438 64.3955 67.4345 174.4245 108 Q 4.4427 7.8864 119.3130 55.8532 29.1035 175.0509 109 G 3.7808 7.9315 105.2561 44.4749 0.0000 173.3762 110 V 4.9208 8.0315 117.3424 61.2571 32.6616 175.8930 *112 S 4.5112 8.2032 119.9953 58.3847 65.3817 174.7159 113 H 4.0873 8.9895 119.1557 58.5190 28.2151 177.7232 114 E 3.7222 7.8973 121.2035 59.4120 29.3054 178.9767 115 E 3.9264 8.0357 117.8004 59.2460 29.4464 179.1837 116 A 3.9720 7.7845 120.8317 55.2461 18.3290 179.9251 117 K 3.8667 8.3127 117.2016 59.3429 31.8005 179.8229 118 K 4.0385 7.6089 117.8476 58.8652 32.0672 178.6208 119 R 4.3592 7.8595 115.7251 55.0078 30.7597 176.2425 120 G 3.8272 7.6505 106.9406 46.8563 0.0000 173.8310 121 L 4.6941 8.1451 118.2935 52.5268 44.2798 177.6110 122 G 4.0729 8.5042 111.4273 45.5352 0.0000 171.8527 123 G 3.8985 7.3121 105.3989 45.9832 0.0000 170.4918 124 R 5.0049 7.7559 118.6529 54.0070 32.3061 176.0281 125 L 4.3030 8.8752 125.1521 55.2878 42.4206 177.3311 126 L 4.3977 9.3187 122.7104 56.2328 44.3708 175.8832 127 A 4.9712 7.3245 117.7204 51.4424 22.6044 174.0999 128 Y 5.2593 7.8781 114.2729 55.9530 42.0414 174.7545 129 V 4.4781 8.9131 120.5203 61.8271 35.5672 174.1209 130 Y 4.6122 8.0648 125.0007 57.6537 37.8437 174.3100 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 4 M 8.30 4.34 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 5 D 8.12 4.36 0.00 2.80 2.51 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 6 P 0.00 4.24 0.00 2.31 2.30 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 7 L 7.98 3.84 0.00 1.75 1.65 0.84 1.12 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 8 A 8.16 3.90 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 9 N 8.12 4.16 0.00 3.07 2.87 0.00 0.00 7.09 7.97 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 10 A 8.22 3.99 1.39 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 0.00 0.00 0.00 11 L 8.14 3.84 0.00 1.53 1.49 0.73 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.32 4.27 0.00 2.88 2.86 0.00 0.00 6.67 7.92 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 13 H 8.49 4.18 0.00 3.34 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.74 3.61 1.91 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 0.83 0.00 0.00 15 S 8.22 4.01 0.00 4.02 3.94 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 16 N 8.38 4.48 0.00 2.75 2.84 0.00 0.00 7.12 8.48 0.00 0.00 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 C 8.30 4.26 0.00 2.94 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 18 E 7.76 3.99 0.00 2.13 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 0.00 2.48 2.40 0.00 19 R 7.60 3.94 0.00 2.00 2.00 0.00 3.36 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 20 V 7.44 3.82 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 0.82 0.00 0.00 0.99 0.00 0.00 21 G 7.74 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.70 3.96 0.00 1.87 1.94 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.43 7.81 23 K 8.58 4.44 0.00 1.72 1.83 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.44 7.81 24 V 7.46 5.01 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 0.48 0.00 0.00 0.92 0.00 0.00 25 V 8.52 4.62 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 0.78 0.00 0.00 0.87 0.00 0.00 26 Y 8.82 4.95 0.00 2.87 2.96 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 27 I 9.02 3.92 2.06 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 1.28 0.98 0.99 0.00 0.00 28 K 8.96 4.05 0.00 1.79 1.67 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.44 7.81 29 P 0.00 4.20 0.00 2.04 2.04 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 30 A 7.44 4.63 0.59 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 0.00 0.00 31 S 7.72 4.56 0.00 4.12 4.08 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 32 K 8.51 4.10 0.00 1.94 1.89 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.61 7.81 33 L 7.97 3.94 0.00 1.77 1.66 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.84 3.77 2.27 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 1.46 0.46 0.95 0.00 0.00 35 G 8.12 3.32 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 0.00 36 R 8.25 4.04 0.00 2.08 1.99 0.00 3.14 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 37 V 7.50 3.58 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 0.69 0.00 0.00 0.86 0.00 0.00 38 L 7.44 3.73 0.00 0.57 0.19 -0.18 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.66 4.32 0.00 2.07 1.84 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.70 7.81 40 V 7.24 3.87 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 0.97 0.00 0.00 0.99 0.00 0.00 *42 Q 8.07 4.45 0.00 2.44 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.77 0.00 43 D 8.58 4.43 0.00 2.88 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 44 N 8.04 4.72 0.00 3.07 3.01 0.00 0.00 6.99 8.18 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 45 G 7.98 3.81 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 0.00 0.00 0.00 46 Y 7.80 4.45 0.00 3.05 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 47 I 7.43 5.03 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 0.90 0.00 0.00 48 G 8.83 4.08 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 0.00 0.00 0.00 49 E 9.21 4.51 0.00 2.19 1.81 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 2.25 2.19 0.00 50 F 8.04 5.63 0.00 2.99 2.87 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 51 E 9.38 4.93 0.00 2.09 2.05 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 2.24 2.33 0.00 52 F 9.11 4.94 0.00 3.31 3.01 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 53 I 8.22 4.52 1.78 0.00 0.00 1.00 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 0.88 0.90 0.00 0.00 54 E 9.02 4.40 0.00 2.12 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 2.36 2.41 0.00 55 D 8.19 4.70 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.18 4.32 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 0.00 57 R 7.75 4.53 0.00 1.86 0.98 0.00 3.14 0.00 0.00 3.20 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 58 A 8.74 4.13 1.27 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 0.00 0.00 0.00 59 G 8.67 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.03 4.86 1.74 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 1.15 1.25 1.06 0.00 0.00 61 F 9.29 5.31 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 9.44 4.44 0.00 1.76 1.71 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.10 0.62 7.81 63 V 8.41 4.60 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 0.82 0.00 0.00 0.85 0.00 0.00 64 E 9.20 4.51 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 2.30 2.29 0.00 65 L 8.34 4.90 0.00 1.71 1.57 0.96 0.80 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 66 I 7.87 4.53 1.88 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 1.37 0.97 0.92 0.00 0.00 67 G 8.48 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.61 4.53 0.00 1.91 1.83 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.59 7.81 69 I 7.45 4.66 2.04 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 1.39 0.85 0.83 0.00 0.00 70 N 8.59 4.69 0.00 2.92 3.07 0.00 0.00 6.80 7.61 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 71 K 7.28 4.30 0.00 1.60 0.80 0.00 1.86 0.00 0.00 1.98 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.16 7.81 72 C 8.37 4.61 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.48 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.27 4.59 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.16 4.25 1.74 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.35 1.02 0.00 0.00 76 K 8.56 4.34 0.00 1.63 1.64 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.36 7.81 77 P 0.00 4.41 0.00 1.86 1.83 0.00 3.24 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.55 0.00 78 R 7.65 4.37 0.00 1.61 1.85 0.00 3.23 0.00 0.00 2.58 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.39 0.00 79 F 7.68 4.15 0.00 2.46 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 80 P 0.00 5.00 0.00 2.08 2.06 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 81 V 9.18 4.55 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.28 0.00 0.00 82 K 8.34 4.66 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.43 7.81 83 K 8.60 4.17 0.00 1.37 1.75 0.00 1.28 0.00 0.00 1.45 0.00 0.00 2.90 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.97 0.21 7.81 84 F 8.02 5.26 0.00 3.12 3.02 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 0.00 0.00 0.00 85 G 8.43 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 0.00 0.00 0.00 0.00 86 Y 8.33 4.46 0.00 3.22 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 87 E 8.49 4.10 0.00 2.13 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 2.38 2.41 0.00 88 K 7.92 3.56 0.00 1.47 0.96 0.00 1.35 0.00 0.00 0.79 0.00 0.00 2.48 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.61 1.12 7.81 89 F 7.55 4.40 0.00 3.35 3.29 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 0.00 90 E 8.65 4.07 0.00 2.20 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 0.00 2.43 2.68 0.00 91 K 7.84 3.98 0.00 1.71 1.92 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.36 7.81 92 R 7.44 3.74 0.00 1.55 1.54 0.00 2.60 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.27 0.00 93 Y 7.77 4.15 0.00 2.97 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 94 L 7.69 4.49 0.00 1.80 1.74 1.00 1.24 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 95 P 0.00 3.80 0.00 0.88 1.23 0.00 3.40 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 96 A 7.59 4.29 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 97 R 8.04 3.73 0.00 1.83 1.97 0.00 3.25 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 1.66 1.71 0.00 98 D 8.02 4.84 0.00 2.84 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 99 F 8.90 4.61 0.00 2.96 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 0.00 100 G 9.88 4.79 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 0.00 0.00 0.00 101 I 8.89 4.99 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.67 1.15 0.00 0.00 102 L 8.53 5.14 0.00 1.56 1.63 1.16 0.88 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 0.00 103 I 8.62 4.63 1.82 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 1.11 0.75 0.88 0.00 0.00 104 V 8.41 4.79 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 1.18 0.00 0.00 1.18 0.00 0.00 105 S 9.20 4.85 0.00 3.88 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.59 5.04 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 1.30 0.00 0.00 107 T 8.66 3.97 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 0.00 108 Q 7.89 4.44 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.29 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 109 G 7.93 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 0.00 0.00 0.00 110 V 8.03 4.92 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 1.14 0.00 0.00 0.93 0.00 0.00 *112 S 8.20 4.51 0.00 4.19 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 0.00 113 H 8.99 4.09 0.00 2.72 3.58 0.00 5.27 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.90 3.72 0.00 1.97 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 2.30 2.24 0.00 115 E 8.04 3.93 0.00 2.14 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 2.32 2.47 0.00 116 A 7.78 3.97 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 0.00 117 K 8.31 3.87 0.00 1.75 1.83 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.17 1.08 7.81 118 K 7.61 4.04 0.00 1.87 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.69 7.81 119 R 7.86 4.36 0.00 1.79 1.96 0.00 3.30 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 120 G 7.65 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 0.00 0.00 0.00 121 L 8.15 4.69 0.00 1.64 1.60 0.93 1.06 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 0.00 122 G 8.50 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 0.00 123 G 7.31 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 0.00 0.00 0.00 124 R 7.76 5.00 0.00 1.68 1.93 0.00 3.28 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 125 L 8.88 4.30 0.00 1.50 1.50 0.35 0.65 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 0.00 126 L 9.32 4.40 0.00 1.59 1.60 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.32 4.97 1.02 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 0.00 0.00 0.00 0.00 0.00 128 Y 7.88 5.26 0.00 3.09 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.91 4.48 1.47 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 -0.08 0.00 0.00 0.66 0.00 0.00 130 Y 8.06 4.61 0.00 3.22 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 * Residues marked with a * may have inaccurate shift predictions.