NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5249 8.1633 120.2800 54.5727 33.2406 172.5088 2 K 3.8625 8.1326 121.0417 56.4235 33.4110 170.6905 3 V 4.8995 9.4685 118.9243 59.7901 37.1378 173.8579 4 I 5.1509 8.6372 125.2906 59.2430 38.6225 176.2050 5 L 4.5513 8.3087 127.1008 54.0332 44.2250 176.8172 6 L 4.6830 8.2798 122.2144 54.6729 44.1338 178.2873 7 E 4.0979 9.3561 132.2265 56.2835 28.2086 173.8302 8 P 4.2057 0.0000 0.0000 62.9561 31.9090 175.8956 9 L 4.7040 8.0098 118.6869 52.7730 45.3331 174.9057 10 E 4.0083 8.6632 125.2367 57.8340 30.0178 176.7809 11 N 4.6884 8.7284 122.1427 53.3798 39.7089 174.2442 12 L 4.7210 7.9320 117.5087 52.6004 45.0066 176.7477 13 G 4.6825 8.7088 111.1936 44.6394 0.0000 171.9364 14 D 4.5529 8.5418 118.1157 53.2920 41.8609 175.6876 15 V 4.0621 7.6157 121.8468 61.6504 32.6529 175.7096 16 G 3.9914 7.9430 106.7936 47.2017 0.0000 173.1202 17 Q 4.5252 7.4182 117.4981 53.7525 33.0751 175.9915 18 V 4.6349 8.1070 119.9424 60.2514 29.4836 175.7767 19 V 4.1997 8.0346 123.3359 60.6846 34.0317 176.0958 20 D 5.2354 8.5214 121.6949 53.4735 42.6208 176.3199 21 V 4.4404 7.8694 116.7724 60.5859 35.9445 174.2890 22 K 4.6376 8.7528 122.1645 54.9699 34.6870 174.8325 23 P 4.3535 0.0000 0.0000 65.8159 31.2226 178.7545 24 G 3.6319 8.1382 103.6305 47.9816 0.0000 174.4839 25 Y 4.4844 8.2761 121.9817 60.5959 38.4053 178.2440 26 A 3.8539 8.1703 121.0870 55.4475 18.4114 179.9289 27 R 3.9265 8.3331 115.4725 58.5502 30.2212 178.0466 28 N 4.9672 8.4865 113.6240 53.8052 39.6936 173.9066 29 Y 4.7447 7.8570 119.4047 57.6420 41.6979 177.1306 30 L 3.5993 8.1687 116.3517 57.5094 41.7092 179.9108 31 L 3.8501 6.3901 121.5476 57.8139 42.1879 177.1567 32 P 4.2370 0.0000 0.0000 65.9247 31.4631 178.2984 33 R 4.1684 7.6461 112.9017 55.9203 30.0896 177.0181 34 G 3.8142 7.7280 106.8326 46.7006 0.0000 174.4352 35 L 4.2160 7.3050 117.2932 53.7725 41.7624 175.8254 36 A 4.4122 7.0309 119.4088 52.1268 22.0499 175.2258 37 V 4.4732 8.4179 117.6826 61.4472 35.7173 173.9281 38 L 4.4847 8.3782 123.4041 53.8118 42.3817 177.6228 39 A 4.5015 8.2877 125.7816 52.1551 17.6380 178.3165 40 T 3.9496 8.0323 111.1748 62.7503 70.0165 175.0270 41 E 3.9130 9.0054 125.6796 59.6934 29.7316 179.3226 42 S 4.2903 8.1535 111.5649 60.6573 62.8600 174.2139 43 N 4.7832 9.2813 117.3832 54.5400 40.1261 176.3829 44 L 3.9516 7.9784 118.1219 57.9081 42.1615 178.5879 45 K 4.2188 8.5283 118.5199 59.2481 32.9975 178.3809 46 A 4.2306 7.4932 117.8383 52.7534 18.2746 178.3223 47 L 4.1798 7.7017 120.1510 57.8105 42.5928 178.4993 48 E 3.4823 8.1915 117.5364 59.1605 29.0760 178.8756 49 A 4.0954 7.9775 120.0636 54.4224 18.2986 179.1734 50 R 4.0772 8.4973 116.6826 59.0226 30.6096 177.6138 51 I 3.9174 7.7961 120.7855 62.0852 36.9096 177.6195 52 R 3.8296 8.1865 117.4358 59.4832 29.8584 177.7670 53 A 4.6026 7.3204 121.3746 51.4052 18.5257 176.4982 54 Q 4.5388 7.6478 123.3673 57.2688 35.2420 175.8298 55 A 4.2696 9.0586 121.1437 53.7661 19.3768 177.7872 56 K 4.4072 8.1856 114.2768 56.3857 32.2800 176.2707 57 R 4.6527 7.6853 117.0718 56.8196 30.3920 175.2175 58 L 4.6012 7.8818 116.2628 54.3661 43.7267 176.0925 59 A 4.2748 7.8004 120.9030 53.5685 18.4548 177.8610 60 E 4.4979 8.1971 119.7158 58.8931 32.4228 178.7381 61 R 4.1674 7.9215 114.9123 57.0929 31.2116 177.3721 62 K 4.0020 7.7161 117.5365 57.5900 32.6108 176.9018 63 A 4.7287 7.8722 117.5487 51.8972 19.5640 176.1898 64 E 4.5876 7.8132 113.3969 56.0213 32.1256 177.0196 65 A 4.2410 7.7392 120.2300 53.3224 19.0341 178.3367 66 E 4.1365 8.0678 114.4777 59.0593 30.4293 178.9137 67 R 4.1334 7.6838 116.3888 57.4443 30.2956 176.4674 68 L 4.5133 7.2423 121.1445 53.8443 41.7849 175.7275 69 K 4.2839 7.3105 119.4516 56.9389 36.8210 175.0245 70 E 4.2817 7.8017 116.3692 57.7006 29.8935 177.2346 71 I 4.3438 7.6666 109.4439 61.3341 39.8813 176.2502 72 L 4.6775 7.6473 119.8823 54.4742 41.9545 175.7299 73 E 4.4283 8.1818 118.2676 57.6327 31.9561 176.9372 74 N 4.9971 7.7777 113.7162 51.3730 37.6967 175.2950 75 L 4.5427 7.5327 119.5852 54.1713 44.7461 175.4592 76 T 3.9432 8.5753 116.4223 62.2517 68.3952 171.8745 77 L 4.2064 7.2096 121.9087 53.3370 44.0552 172.5824 78 T 4.0369 7.7845 125.2837 62.5409 68.1344 172.2787 79 I 3.9659 7.6710 125.6823 60.2303 36.3835 175.6823 80 P 4.5429 0.0000 0.0000 62.9154 30.3336 177.1171 81 V 4.2417 7.9347 120.4979 60.6745 32.6296 176.3427 82 R 4.4010 7.4916 121.5824 54.5827 28.6208 177.6110 83 A 4.6673 8.4217 118.6284 52.5841 23.2063 176.9294 84 G 4.1734 7.8098 110.5744 45.9715 0.0000 176.3322 85 E 4.1905 8.7223 124.6321 57.1709 29.9082 175.8599 86 T 4.5347 7.0107 106.1797 60.9756 68.8257 171.3261 87 K 4.7804 8.8348 129.7612 55.9135 35.1657 175.4314 88 I 2.9391 7.7563 114.8666 62.3790 37.4701 172.6020 89 Y 4.4406 8.5643 123.9419 58.2061 39.0347 176.4682 90 G 3.8771 8.9356 112.0131 44.6531 0.0000 175.0290 91 S 3.5212 8.0804 111.6517 57.8603 61.9572 170.9322 92 V 3.1540 7.4554 111.8382 64.7861 29.2189 171.9146 93 T 4.6706 7.5387 120.9739 60.7259 72.8775 175.0995 94 A 3.9672 8.6443 124.9326 55.8131 18.7295 180.3818 95 K 3.9712 8.1484 114.5557 60.0305 32.3010 180.0710 96 D 4.7867 7.6960 113.8566 54.8315 39.9961 177.3561 97 I 4.4441 8.3838 119.7756 62.5890 40.8153 176.6702 98 A 4.2836 8.0524 121.6021 53.6907 18.8339 178.3143 99 E 4.0900 8.4188 113.4675 58.7232 29.6280 178.1375 100 A 4.7686 7.5921 121.1773 51.2470 19.6057 176.8750 101 L 4.2005 8.1015 123.7499 58.0365 42.9069 177.2221 102 S 4.6743 7.8407 111.2025 58.5538 65.2349 175.8599 103 R 3.8300 8.4036 120.6308 59.4828 29.6640 176.8827 104 Q 4.2364 8.1404 116.6067 59.3575 30.5805 176.5791 105 H 4.9233 8.5055 111.1672 55.1470 30.9377 176.3567 106 G 5.0237 8.6657 119.6102 46.5491 0.0000 171.2709 107 V 4.4957 7.5860 119.8834 64.7636 37.4826 174.5373 108 T 4.4930 7.4046 112.1622 63.0383 72.0357 171.9970 109 I 4.6289 7.7930 122.1802 60.2329 41.1903 173.3744 110 D 4.6899 8.1691 120.8483 53.1431 43.8781 172.6506 111 P 4.7827 0.0000 0.0000 64.5159 33.0886 176.6223 112 K 4.0074 8.0225 117.1656 58.9128 32.1266 177.2595 113 R 3.8876 7.4817 123.1512 56.1489 28.8836 174.8707 114 L 4.7110 7.7390 119.9492 53.4343 45.7146 177.6822 115 A 4.3937 8.4306 129.3585 51.9684 17.4462 178.1605 116 L 4.2945 8.6119 125.4575 55.1029 40.3419 176.1636 117 E 4.0161 8.3215 122.7538 58.1161 30.0335 177.0484 118 K 4.5180 7.4754 118.9247 53.2210 35.3138 173.7759 119 P 4.0957 0.0000 0.0000 63.5008 31.0840 175.6557 120 I 3.4035 8.9085 124.6630 64.9294 37.6340 177.7715 121 K 3.8300 7.6252 119.7540 56.4330 30.6851 174.1825 122 E 4.6976 7.8634 116.0206 55.4708 32.2004 174.7679 123 L 3.9278 8.7198 129.0030 54.6622 43.1490 176.6673 124 G 4.1977 7.3232 108.3349 44.2386 0.0000 172.2630 125 E 4.8298 7.9748 119.3063 54.9374 29.6616 174.9399 126 Y 4.5609 8.7354 120.3468 57.2597 40.3870 175.1782 127 V 5.2043 8.0599 121.4086 62.7230 32.5952 174.2754 128 L 4.7043 8.0627 129.6897 54.1258 45.4013 173.8800 129 T 5.1937 8.3962 116.7275 63.3229 73.1676 170.8646 130 Y 5.1227 7.7247 119.4856 57.7940 41.7872 173.5158 131 K 4.5648 7.9813 116.2236 55.8341 36.2113 172.9398 132 P 4.8386 0.0000 0.0000 64.1935 33.7452 177.4135 133 H 4.6597 7.9410 120.0361 54.1232 27.8996 174.6711 134 P 4.2580 0.0000 0.0000 63.5999 31.3222 175.7219 135 E 4.1273 8.9357 123.8215 56.9434 30.1346 177.3445 136 V 4.2937 8.5998 125.3320 59.2249 32.5991 172.5342 137 P 5.3997 0.0000 0.0000 62.5265 31.6654 176.0592 138 I 4.2661 8.3359 126.2508 60.3901 39.0215 175.5447 139 Q 4.4704 8.6414 124.0815 55.7113 29.4539 174.0058 140 L 4.7927 8.7540 127.2505 53.2046 44.7478 175.3348 141 K 5.3846 8.5658 125.5547 53.7541 33.4844 175.1678 142 V 4.3162 8.3970 127.2572 62.5655 29.1488 174.9746 143 S 4.8286 8.0990 119.4206 57.8676 64.6345 173.9566 144 V 4.1616 8.2197 121.8741 61.6062 33.9085 176.3154 *145 V 3.9330 8.1137 118.1034 60.9747 32.1670 174.4435 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 4.52 0.00 1.97 2.27 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 2 K 8.13 3.86 0.00 1.75 1.75 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.48 7.81 3 V 9.47 4.90 2.12 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 0.78 0.00 0.00 0.99 0.00 0.00 4 I 8.64 5.15 1.85 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 1.23 0.25 0.89 0.00 0.00 5 L 8.31 4.55 0.00 1.58 1.60 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.28 4.68 0.00 1.61 0.70 0.95 0.84 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 7 E 9.36 4.10 0.00 1.91 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 2.30 2.36 0.00 8 P 0.00 4.21 0.00 2.17 2.21 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 9 L 8.01 4.70 0.00 1.78 1.51 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.66 4.01 0.00 1.98 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 2.32 2.31 0.00 11 N 8.73 4.69 0.00 2.88 3.09 0.00 0.00 6.93 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.93 4.72 0.00 1.86 1.50 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.71 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 14 D 8.54 4.55 0.00 2.65 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 15 V 7.62 4.06 2.18 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 0.69 0.00 0.00 0.92 0.00 0.00 16 G 7.94 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 0.00 0.00 0.00 17 Q 7.42 4.53 0.00 2.27 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.14 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 18 V 8.11 4.63 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 0.76 0.00 0.00 0.93 0.00 0.00 19 V 8.03 4.20 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 0.69 0.00 0.00 0.94 0.00 0.00 20 D 8.52 5.24 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 4.44 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 0.70 0.00 0.00 0.97 0.00 0.00 22 K 8.75 4.64 0.00 1.95 1.78 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.51 7.81 23 P 0.00 4.35 0.00 2.18 2.16 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 24 G 8.14 3.63 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 0.00 25 Y 8.28 4.48 0.00 2.97 3.14 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 26 A 8.17 3.85 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 27 R 8.33 3.93 0.00 1.85 2.04 0.00 3.15 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 28 N 8.49 4.97 0.00 2.87 2.92 0.00 0.00 6.71 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 29 Y 7.86 4.74 0.00 3.12 3.25 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 0.00 30 L 8.17 3.60 0.00 1.56 1.35 0.51 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 31 L 6.39 3.85 0.00 1.80 1.70 0.90 1.03 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 32 P 0.00 4.24 0.00 2.12 2.13 0.00 3.80 0.00 0.00 3.73 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 33 R 7.65 4.17 0.00 1.49 1.79 0.00 2.69 0.00 0.00 3.08 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 34 G 7.73 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 35 L 7.30 4.22 0.00 1.43 1.60 0.76 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.03 4.41 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 37 V 8.42 4.47 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 0.72 0.00 0.00 0.90 0.00 0.00 38 L 8.38 4.48 0.00 1.56 1.57 0.91 0.78 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 39 A 8.29 4.50 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 40 T 8.03 3.95 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 1.20 0.00 0.00 41 E 9.01 3.91 0.00 2.05 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 0.00 2.41 2.35 0.00 42 S 8.15 4.29 0.00 3.82 3.91 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 43 N 9.28 4.78 0.00 2.59 2.79 0.00 0.00 6.46 6.62 0.00 0.00 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 7.98 3.95 0.00 1.71 1.93 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.53 4.22 0.00 1.97 2.06 0.00 1.36 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.44 7.81 46 A 7.49 4.23 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 47 L 7.70 4.18 0.00 1.94 1.77 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.19 3.48 0.00 2.27 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 2.40 2.44 0.00 49 A 7.98 4.10 1.31 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 50 R 8.50 4.08 0.00 1.84 1.99 0.00 3.16 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 51 I 7.80 3.92 1.98 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 1.88 1.19 0.91 0.00 0.00 52 R 8.19 3.83 0.00 2.08 2.23 0.00 2.81 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.07 0.00 53 A 7.32 4.60 1.34 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 54 Q 7.65 4.54 0.00 2.37 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 55 A 9.06 4.27 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 56 K 8.19 4.41 0.00 1.69 1.97 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.36 7.81 57 R 7.69 4.65 0.00 1.76 1.90 0.00 3.23 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 58 L 7.88 4.60 0.00 1.93 1.58 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.80 4.27 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 60 E 8.20 4.50 0.00 1.94 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 2.27 2.22 0.00 61 R 7.92 4.17 0.00 1.69 1.91 0.00 3.24 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 62 K 7.72 4.00 0.00 1.76 2.00 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.60 7.81 63 A 7.87 4.73 1.23 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 64 E 7.81 4.59 0.00 2.11 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 2.50 2.21 0.00 65 A 7.74 4.24 1.31 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 66 E 8.07 4.14 0.00 2.17 2.22 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 2.43 2.32 0.00 67 R 7.68 4.13 0.00 2.01 1.99 0.00 3.17 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.63 0.00 68 L 7.24 4.51 0.00 1.54 1.68 0.78 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.31 4.28 0.00 1.66 1.95 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.56 7.81 70 E 7.80 4.28 0.00 2.05 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 2.31 2.22 0.00 71 I 7.67 4.34 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.60 0.87 0.00 0.00 72 L 7.65 4.68 0.00 1.53 1.61 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.18 4.43 0.00 1.82 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 2.15 2.29 0.00 74 N 7.78 5.00 0.00 2.83 2.86 0.00 0.00 6.07 7.79 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 75 L 7.53 4.54 0.00 1.50 1.63 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.58 3.94 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 77 L 7.21 4.21 0.00 1.52 1.68 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.78 4.04 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 1.23 0.00 0.00 79 I 7.67 3.97 1.89 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 0.94 0.99 0.00 0.00 80 P 0.00 4.54 0.00 2.15 2.13 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 81 V 7.93 4.24 2.34 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 0.86 0.00 0.00 0.92 0.00 0.00 82 R 7.49 4.40 0.00 2.20 1.64 0.00 3.19 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 83 A 8.42 4.67 1.34 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 84 G 7.81 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 0.00 0.00 0.00 0.00 85 E 8.72 4.19 0.00 1.92 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 2.35 0.00 86 T 7.01 4.53 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 1.28 0.00 0.00 87 K 8.83 4.78 0.00 1.70 1.77 0.00 1.89 0.00 0.00 2.25 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.16 7.81 88 I 7.76 2.94 1.88 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 1.41 0.57 0.86 0.00 0.00 89 Y 8.56 4.44 0.00 3.37 2.73 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 90 G 8.94 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.08 3.52 0.00 4.03 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 92 V 7.46 3.15 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 0.64 0.00 0.00 0.90 0.00 0.00 93 T 7.54 4.67 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 1.22 0.00 0.00 94 A 8.64 3.97 1.31 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 95 K 8.15 3.97 0.00 1.83 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.46 7.81 96 D 7.70 4.79 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.38 4.44 2.04 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 1.22 0.78 0.93 0.00 0.00 98 A 8.05 4.28 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.42 4.09 0.00 2.09 2.27 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 2.28 2.26 0.00 100 A 7.59 4.77 1.26 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 0.00 0.00 0.00 101 L 8.10 4.20 0.00 1.62 1.72 0.88 1.05 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 0.00 102 S 7.84 4.67 0.00 3.95 4.14 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 0.00 103 R 8.40 3.83 0.00 1.79 2.03 0.00 3.27 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 104 Q 8.14 4.24 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 105 H 8.51 4.92 0.00 3.08 2.57 0.00 6.02 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 0.00 106 G 8.67 5.02 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 0.00 107 V 7.59 4.50 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 0.80 0.00 0.00 0.93 0.00 0.00 108 T 7.40 4.49 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 1.22 0.00 0.00 109 I 7.79 4.63 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 1.33 0.72 0.93 0.00 0.00 110 D 8.17 4.69 0.00 2.91 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 0.00 111 P 0.00 4.78 0.00 2.19 2.13 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 112 K 8.02 4.01 0.00 1.71 1.87 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.45 7.81 113 R 7.48 3.89 0.00 0.95 1.11 0.00 3.03 0.00 0.00 2.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 114 L 7.74 4.71 0.00 1.77 1.54 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.43 4.39 1.34 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 0.00 116 L 8.61 4.29 0.00 1.46 1.62 0.89 0.88 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 0.00 117 E 8.32 4.02 0.00 2.02 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 2.33 2.33 0.00 118 K 7.48 4.52 0.00 1.66 1.63 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.38 7.81 119 P 0.00 4.10 0.00 2.18 2.09 0.00 3.85 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 120 I 8.91 3.40 1.74 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.24 0.27 0.00 0.00 121 K 7.63 3.83 0.00 1.90 1.95 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.49 7.81 122 E 7.86 4.70 0.00 2.04 1.90 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 2.08 2.13 0.00 123 L 8.72 3.93 0.00 1.69 1.66 1.03 1.23 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 0.00 124 G 7.32 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 E 7.97 4.83 0.00 1.81 1.86 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 2.31 2.24 0.00 126 Y 8.74 4.56 0.00 3.01 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 0.00 127 V 8.06 5.20 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 1.09 0.00 0.00 0.96 0.00 0.00 128 L 8.06 4.70 0.00 1.67 1.62 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.40 5.19 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 1.26 0.00 0.00 130 Y 7.72 5.12 0.00 3.01 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 0.00 131 K 7.98 4.56 0.00 1.50 1.61 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.27 7.81 132 P 0.00 4.84 0.00 2.17 2.13 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 133 H 7.94 4.66 0.00 3.15 3.13 0.00 5.91 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.26 0.00 2.08 2.04 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 135 E 8.94 4.13 0.00 1.86 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 2.34 2.55 0.00 136 V 8.60 4.29 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 0.88 0.00 0.00 0.97 0.00 0.00 137 P 0.00 5.40 0.00 2.09 2.14 0.00 3.40 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.86 0.00 138 I 8.34 4.27 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 0.91 0.00 0.00 139 Q 8.64 4.47 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 140 L 8.75 4.79 0.00 1.80 1.79 0.92 0.37 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 0.00 141 K 8.57 5.38 0.00 1.83 1.81 0.00 2.01 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.83 1.27 7.81 142 V 8.40 4.32 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 0.95 0.00 0.00 0.78 0.00 0.00 143 S 8.10 4.83 0.00 3.94 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 0.00 144 V 8.22 4.16 2.12 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 0.89 0.00 0.00 0.97 0.00 0.00 *145 V 8.11 3.93 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 0.72 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.