NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.3046 8.4444 121.4892 55.7008 31.3045 174.6257 6 Y 4.3550 7.9155 118.0272 55.4664 40.2607 171.4022 7 E 4.2445 8.3372 127.2923 55.3831 31.4066 175.0009 8 Y 5.1643 8.2329 120.8780 55.4608 39.8927 175.6895 9 L 4.1682 9.1849 123.4280 57.6289 41.9720 178.2763 10 V 4.5721 7.4071 108.5314 58.1752 35.7573 173.2250 11 P 4.2752 0.0000 0.0000 63.0000 31.5980 175.5294 12 P 4.0914 0.0000 0.0000 65.9606 31.1165 178.1762 13 D 4.3325 8.0200 117.0425 57.2463 40.5125 178.2842 14 D 4.3322 8.1812 119.1877 57.5057 41.1690 178.1275 15 Y 4.3919 7.8265 116.5028 61.3006 38.0391 178.6496 16 L 3.7480 8.1232 119.5468 57.6891 41.5161 179.4090 17 A 4.1059 8.8844 120.1793 54.1439 18.3476 178.5587 18 A 4.3954 7.8173 117.9244 51.9091 19.5112 178.1597 19 G 3.9658 7.8957 105.1716 46.1561 0.0000 176.1698 20 V 3.7278 7.9509 115.6444 64.1025 32.0196 177.9398 21 H 4.4299 8.4129 115.2516 58.0083 30.0439 175.2432 22 I 3.9974 7.5412 120.2161 61.5073 36.8090 176.0189 23 G 4.2702 8.7959 121.4158 45.9151 0.0000 170.0501 24 T 5.0244 8.2098 112.3069 60.2680 71.6984 175.3018 25 Q 4.2321 8.9743 118.7094 58.2034 29.1188 176.2090 26 I 4.7725 7.4654 117.8302 59.1829 39.5449 174.8801 27 K 4.4999 8.3566 123.7448 54.7218 34.6371 175.9293 28 T 4.4516 8.2284 116.4467 59.7889 70.7827 175.2328 29 G 3.7521 8.6535 110.8896 49.0926 0.0000 176.1722 30 D 4.3399 8.0459 118.0307 54.2884 41.0256 177.9563 *32 K 4.2819 8.2926 119.6205 56.7625 34.1055 177.8744 33 K 3.8742 7.7171 116.6425 57.9505 32.5311 176.9743 34 F 4.8417 7.7225 117.0482 57.3022 40.1029 174.3749 35 I 4.7717 7.5655 122.8711 60.0400 37.2447 175.5674 36 F 4.4659 9.7370 131.1738 60.3309 39.6525 174.7108 37 K 4.2804 7.6192 116.5953 56.2114 35.5029 172.7566 38 V 4.8141 8.4438 119.8779 61.3246 34.2226 175.2912 39 R 4.5850 8.2389 123.6753 54.1921 32.3628 177.6683 40 Q 3.9549 8.7470 118.2165 59.4840 28.5322 178.3527 41 D 4.4062 7.9320 113.0729 53.9888 39.4084 176.9508 42 G 3.7712 8.3197 109.0603 45.2127 0.0000 173.4524 43 L 4.4769 7.7974 120.6720 54.0041 43.1260 176.2262 44 Y 4.7351 8.5623 121.2769 58.0046 39.6973 174.7558 45 V 4.8516 8.9204 122.9297 61.1796 33.6478 175.1288 46 L 4.7704 9.0492 128.8083 54.5098 42.9166 176.5163 47 D 4.4006 9.2356 122.7828 53.8803 41.5426 177.2619 48 I 3.4695 8.3620 128.1638 64.0564 37.0575 178.3884 49 R 3.7125 7.9973 119.2432 59.2969 30.0443 178.3900 50 K 3.8754 7.6193 116.8350 59.4091 32.0321 179.0160 51 L 3.7869 7.8780 120.3929 58.2270 41.9135 178.4450 52 D 4.4522 8.0035 117.8914 57.4001 41.0976 178.1908 53 E 4.0275 8.1134 119.0578 59.6549 29.5633 179.6306 54 R 3.9684 8.0227 117.9794 59.0333 29.9651 179.2501 55 I 3.7231 7.9950 120.0591 64.3890 37.2305 178.6269 56 R 3.9111 7.8892 118.4770 59.2458 29.8573 179.3713 57 V 3.6199 7.8880 117.8947 65.8518 31.5070 178.0099 58 A 4.0573 8.6340 120.7595 54.9142 18.1941 179.3319 59 A 3.9628 8.2024 119.4285 55.3600 18.3071 179.6738 60 K 3.8565 7.7067 116.1860 59.5555 32.3316 178.3364 61 F 4.4844 8.4484 120.8419 61.5924 39.2313 177.1744 62 L 4.0485 8.7614 118.5270 57.0673 41.2063 179.2203 63 S 4.2530 7.9544 113.3761 60.5927 63.1960 175.9249 64 R 4.0227 7.4535 120.3743 56.9063 30.2187 176.0226 65 Y 4.4447 6.7908 116.6284 56.3231 39.4939 174.8092 66 E 4.2764 8.9727 120.3140 55.9245 30.3483 175.8678 67 P 3.7870 0.0000 0.0000 65.0380 32.5150 177.5762 68 S 4.4249 8.0116 118.2776 61.0882 63.3251 175.6488 69 K 4.2300 8.4910 119.9252 57.1837 32.3452 175.7957 70 I 4.6389 8.1809 121.9547 59.4279 39.4524 174.4257 71 L 5.0918 8.8265 128.6311 53.3388 44.6477 175.3824 72 L 4.9652 8.8726 126.9862 54.2535 43.8029 176.3429 73 V 5.0581 8.5252 120.8595 61.4384 35.4333 174.2079 74 A 4.8895 8.8484 128.5104 51.5956 21.8880 176.6248 75 A 4.4769 8.9604 126.0134 53.2806 19.8433 177.7396 76 R 3.8534 7.9940 116.7716 56.7170 30.8108 176.1745 77 Q 3.5434 9.0092 127.0143 59.6502 28.8097 178.4048 78 Y 4.5626 7.7304 111.4420 59.6039 38.0901 177.0446 79 A 4.3648 8.2988 122.3280 53.6878 19.1764 178.5267 80 H 3.9207 8.0491 115.0612 58.9877 28.5533 177.1639 81 K 3.6806 7.9384 120.1249 59.3493 32.1138 176.4168 82 P 4.4559 0.0000 0.0000 65.6986 31.5890 178.3474 83 V 3.2573 7.4381 117.1125 65.6085 31.2983 178.3994 84 Q 3.2237 7.5777 117.8414 56.1011 28.8206 177.4899 *86 F 4.9025 8.0588 122.1063 57.9440 41.4456 177.0749 87 S 4.6405 8.2126 117.9246 60.7142 62.2625 176.5871 88 K 3.8898 7.6807 121.7629 59.4739 32.0581 178.8547 89 V 3.7932 7.4769 116.4269 66.1934 31.7647 177.6784 90 V 3.7011 7.9064 116.9363 63.7239 31.4348 176.8974 91 G 4.0134 8.3881 105.9860 44.6085 0.0000 173.4342 92 S 4.6893 7.8436 114.3791 58.4167 64.6610 173.1862 93 D 4.9342 9.0072 121.4310 54.2875 42.8035 174.3080 94 Y 5.3854 7.6346 117.8005 56.3153 41.0035 174.3814 95 I 4.5190 8.9155 120.9615 60.1831 40.7491 174.5489 96 V 4.5939 8.7440 120.3727 60.6944 33.6152 176.4998 97 G 3.9003 8.5618 108.3437 44.3023 0.0000 172.4584 98 R 4.2167 8.3120 122.3572 55.5350 30.8869 176.2959 99 F 4.2880 8.7493 127.8625 57.3815 40.1398 174.7222 100 I 3.8871 7.7036 129.3179 59.9465 36.9985 173.6384 101 P 4.5836 0.0000 0.0000 64.4596 31.6399 176.6361 102 G 4.1654 10.6343 111.7377 45.5923 0.0000 175.4568 103 T 3.8010 8.0957 116.9768 65.9572 68.4307 175.2054 104 L 4.6925 9.0857 118.2350 54.5508 43.0817 176.7203 105 T 4.6642 8.1096 106.1555 60.7954 69.8629 173.3154 106 N 4.7685 8.4454 120.9028 51.1006 39.3413 173.9649 107 P 2.9700 0.0000 0.0000 60.9817 30.5016 176.5433 *109 L 4.1128 7.8377 118.6048 54.7281 42.9861 177.4513 110 S 4.1998 8.5753 118.6889 61.0368 63.3147 174.8510 111 E 4.2013 7.9932 117.8868 56.3106 29.7066 175.8520 112 Y 4.8264 7.4595 119.7660 57.5690 39.1893 175.5470 113 R 4.3864 7.0923 120.4877 55.2418 32.4436 174.7321 114 E 4.4648 7.9925 117.8943 53.8278 29.4730 174.1687 115 P 4.4890 0.0000 0.0000 62.6498 32.6319 177.1536 116 E 4.6264 8.8889 118.7312 57.1303 30.5495 176.8907 117 V 4.5102 7.2489 119.0375 60.3712 34.8514 172.9290 118 V 4.7448 8.6583 124.6650 61.0732 34.2285 174.0842 119 F 5.5639 9.3424 130.0460 56.8104 41.2839 174.2413 120 V 4.5196 8.7444 119.8119 60.2515 33.1219 176.9281 121 N 4.4442 8.7414 121.7925 56.2104 39.9208 175.2706 122 D 4.5224 8.4986 119.1221 52.2852 43.8476 173.8990 123 P 4.4442 0.0000 0.0000 65.0541 31.6007 177.4256 124 A 4.2752 8.4113 122.1711 54.8289 19.1909 178.8158 125 I 3.9079 8.0246 114.8046 64.2150 37.6465 176.8566 126 D 4.8781 8.5269 120.3650 54.1296 41.4143 179.0386 127 K 4.0391 8.0397 121.6676 60.0795 32.5827 177.6051 128 Q 3.9374 8.0055 120.1708 58.8593 28.9602 177.9601 129 A 3.0866 7.2942 121.3313 54.7145 18.4210 179.5596 130 V 3.4573 7.3993 116.2859 66.1122 31.5108 178.3547 131 S 4.1077 8.3504 115.2025 61.8773 62.8637 176.6729 132 E 4.0014 8.1818 120.8784 59.2562 29.0814 179.2669 133 A 4.0420 8.2226 121.0641 55.4220 18.4070 179.8925 134 T 3.7846 8.0513 113.9421 66.7631 68.3555 176.5735 135 A 4.0070 7.9194 121.4712 55.3611 18.4400 179.3561 136 V 3.9192 7.7100 114.4209 63.6641 31.7532 177.0682 137 G 3.9616 7.8594 106.0760 45.3279 0.0000 172.9733 138 I 4.1839 7.7047 120.6236 59.7826 37.9412 174.5058 139 P 4.6583 0.0000 0.0000 62.8908 32.8822 175.2091 140 V 4.8870 9.1132 122.9016 61.2140 34.3396 174.2175 141 V 4.6942 9.2564 128.2972 61.3956 33.5394 174.4135 142 A 5.3638 8.7902 128.7081 50.2570 22.7199 174.9736 143 L 4.5787 8.5934 123.2281 54.8620 42.4349 176.4651 144 C 5.0088 9.1008 121.8942 58.0136 31.1944 173.4413 145 D 5.4365 9.2907 123.2824 51.6122 43.1933 177.0074 146 S 4.1524 8.8817 115.4231 61.3303 62.5883 175.9446 147 N 4.6095 8.0536 115.4731 53.5678 37.8644 174.7410 148 N 4.7263 8.0817 117.6150 52.4953 39.7073 174.6521 149 S 4.8158 8.3262 115.7665 57.0612 65.3494 173.7214 150 S 4.7653 8.8680 114.5068 58.2891 64.6764 176.5596 151 A 3.5354 8.3042 116.3940 57.1643 17.8459 179.3176 152 D 4.8166 8.9603 118.3926 52.7329 41.9087 176.8500 153 V 4.2970 7.3180 118.5868 61.6324 33.2203 174.7240 154 D 4.6843 8.7355 126.2467 55.0312 42.6338 176.2451 155 L 4.4425 7.5824 119.4730 53.1476 44.9669 175.2532 156 V 4.3486 8.3688 127.0643 62.1165 32.6652 175.4783 157 I 4.1974 8.3648 129.8804 58.5320 38.2972 172.6045 158 P 4.4638 0.0000 0.0000 63.6590 31.4925 175.4093 159 T 4.3250 8.5234 118.5588 60.9871 71.8613 171.3214 160 N 5.0982 8.9095 124.3786 52.9107 39.3741 174.6902 161 N 5.1696 8.9409 124.8957 52.7578 38.1016 175.4595 162 K 4.5218 9.4326 120.3547 58.0435 34.9634 178.3483 163 G 3.7130 8.2714 105.5428 44.1981 0.0000 174.0998 164 R 3.4955 8.1499 124.7069 59.3737 30.1085 178.8307 165 R 3.9439 7.7970 117.3403 58.6183 30.2580 178.1424 166 A 4.0156 7.7974 120.4402 55.0878 18.4714 179.2586 167 L 4.0909 8.3074 117.5650 58.1113 41.7250 179.1973 168 A 4.2327 7.8225 120.5814 55.8793 18.3040 179.5978 169 I 3.7197 8.0199 116.2991 63.9598 38.0468 178.5100 170 V 3.7290 7.8923 118.8477 66.3147 31.4974 177.7781 171 Y 4.2830 8.5595 116.7450 60.5661 37.6524 178.3905 172 W 2.9305 8.5022 129.7044 60.1080 30.7177 178.1069 173 L 3.5300 8.2154 118.9479 57.4748 41.1676 179.4290 174 L 3.9887 8.0997 118.6469 57.9481 41.6884 179.4898 175 A 3.7212 8.2575 120.5717 55.0002 18.3064 179.6449 176 R 2.0000 7.6260 117.4900 58.9736 29.9721 178.7166 177 E 3.8140 8.0171 118.4333 59.0353 29.3768 179.4463 178 I 3.6796 7.4761 119.6547 64.1476 37.1949 178.2177 179 A 3.9741 7.7352 121.7287 54.9792 18.0327 179.6399 180 K 3.9925 7.9808 118.2049 59.5279 31.9762 179.2390 181 I 3.7104 7.3216 119.5571 64.3024 37.1334 178.2390 182 R 4.1520 7.9679 117.3454 56.7497 29.9351 177.5181 183 G 3.8353 7.4210 106.4441 46.0813 0.0000 173.1173 184 Q 4.2592 8.3048 120.6257 54.4158 29.8358 175.1551 185 D 4.4141 8.6357 124.6998 54.2965 41.6968 175.1538 186 F 4.7847 8.7765 128.0495 57.0094 41.5499 173.6741 187 T 4.5469 7.8344 116.5618 61.3560 69.2355 173.4979 188 Y 4.5056 6.7656 118.9910 57.9891 38.8929 174.9021 189 S 4.8672 9.4171 117.6131 56.5895 65.7688 175.4113 190 I 2.8568 7.2583 120.3462 64.1821 36.3298 178.4703 191 E 4.6529 7.5737 119.3839 58.9391 28.9942 179.0784 192 D 4.4904 7.8419 117.7612 56.5344 40.9686 177.6786 193 F 4.4553 8.1882 116.4691 57.0221 40.3083 176.1377 194 E 4.1113 7.5438 119.4622 55.5546 29.9171 176.3425 195 A 4.3077 8.4955 125.9513 52.5728 19.0725 176.9275 196 E 4.4089 8.6024 121.2162 55.6178 30.9765 176.1311 197 L 4.7194 8.0841 121.8662 52.6842 43.8821 175.5636 198 E 4.2852 8.5782 123.2426 57.6704 29.8119 177.0205 199 G 4.0020 9.2427 115.0830 45.1545 0.0000 173.3446 200 G 3.9184 7.5870 108.6598 44.4890 0.0000 173.2176 201 S 4.5967 8.1237 113.9085 57.3075 65.1106 173.7719 202 H 4.4430 8.2070 116.5095 56.2441 29.5983 173.6342 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 5 E 8.44 4.30 0.00 1.99 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 2.22 2.33 0.00 6 Y 7.92 4.36 0.00 2.92 2.64 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 0.00 0.00 0.00 0.00 7 E 8.34 4.24 0.00 1.62 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 2.15 2.10 0.00 8 Y 8.23 5.16 0.00 3.14 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 9 L 9.18 4.17 0.00 1.85 1.76 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.41 4.57 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 0.86 0.00 0.00 0.29 0.00 0.00 11 P 0.00 4.28 0.00 2.18 2.20 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.99 0.00 12 P 0.00 4.09 0.00 1.98 1.76 0.00 3.51 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.05 0.00 13 D 8.02 4.33 0.00 2.68 2.68 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 14 D 8.18 4.33 0.00 2.63 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 Y 7.83 4.39 0.00 3.20 2.81 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 16 L 8.12 3.75 0.00 1.78 1.62 0.88 0.52 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 17 A 8.88 4.11 1.29 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 0.00 0.00 18 A 7.82 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.90 3.97 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 0.00 0.00 0.00 20 V 7.95 3.73 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 1.00 0.00 0.00 1.05 0.00 0.00 21 H 8.41 4.43 0.00 3.23 3.49 0.00 5.48 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.54 4.00 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 0.98 0.23 0.90 0.00 0.00 23 G 8.80 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 0.00 0.00 0.00 0.00 24 T 8.21 5.02 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 1.32 0.00 0.00 25 Q 8.97 4.23 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 26 I 7.47 4.77 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.95 0.00 0.00 27 K 8.36 4.50 0.00 0.79 0.74 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.60 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 0.95 7.81 28 T 8.23 4.45 4.23 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 1.24 0.00 0.00 29 G 8.65 3.75 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 0.00 0.00 0.00 30 D 8.05 4.34 0.00 2.68 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 *32 K 8.29 4.28 0.00 1.83 2.12 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.29 7.81 33 K 7.72 3.87 0.00 1.41 1.65 0.00 0.91 0.00 0.00 1.08 0.00 0.00 2.69 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.77 0.21 7.81 34 F 7.72 4.84 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.57 4.77 1.85 0.00 0.00 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 1.17 0.55 1.09 0.00 0.00 36 F 9.74 4.47 0.00 2.91 3.31 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 37 K 7.62 4.28 0.00 1.38 1.35 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.19 1.36 7.81 38 V 8.44 4.81 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 0.55 0.00 0.00 1.04 0.00 0.00 39 R 8.24 4.58 0.00 2.02 1.80 0.00 3.20 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 40 Q 8.75 3.95 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.12 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 41 D 7.93 4.41 0.00 2.73 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 42 G 8.32 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 7.18 6.16 0.00 0.00 0.00 0.00 0.00 2.08 2.33 0.00 *86 F 8.06 4.90 0.00 3.53 3.31 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 87 S 8.21 4.64 0.00 4.09 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 0.00 88 K 7.68 3.89 0.00 1.77 1.64 0.00 1.75 0.00 0.00 1.50 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.45 7.81 89 V 7.48 3.79 2.15 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 1.12 0.00 0.00 1.06 0.00 0.00 90 V 7.91 3.70 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 0.86 0.00 0.00 0.14 0.00 0.00 91 G 8.39 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 92 S 7.84 4.69 0.00 4.28 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 0.00 93 D 9.01 4.93 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.74 4.52 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 0.92 0.00 0.00 121 N 8.74 4.44 0.00 2.77 3.01 0.00 0.00 6.86 8.54 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 0.00 122 D 8.50 4.52 0.00 2.78 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.21 2.18 0.00 3.94 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 1.99 1.98 0.00 124 A 8.41 4.28 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 0.00 125 I 8.02 3.91 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 1.42 0.59 0.92 0.00 0.00 126 D 8.53 4.88 0.00 2.70 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 0.00 127 K 8.04 4.04 0.00 1.96 2.33 0.00 1.51 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.48 7.81 128 Q 8.01 3.94 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 129 A 7.29 3.09 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.40 3.46 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 1.01 0.00 0.00 0.92 0.00 0.00 131 S 8.35 4.11 0.00 4.07 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 0.00 132 E 8.18 4.00 0.00 2.12 2.11 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 2.43 2.54 0.00 133 A 8.22 4.04 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 0.00 134 T 8.05 3.78 4.43 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 0.00 0.00 0.00 1.26 0.00 0.00 135 A 7.92 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.71 3.92 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.07 0.00 0.00 137 G 7.86 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 0.00 138 I 7.70 4.18 2.00 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 1.26 0.62 0.94 0.00 0.00 139 P 0.00 4.66 0.00 2.28 2.09 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 140 V 9.11 4.89 2.23 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 1.04 0.00 0.00 0.94 0.00 0.00 141 V 9.26 4.69 1.93 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 0.33 0.00 0.00 1.02 0.00 0.00 142 A 8.79 5.36 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 0.00 143 L 8.59 4.58 0.00 1.79 1.64 0.79 1.27 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 0.00 144 C 9.10 5.01 0.00 2.73 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 D 9.29 5.44 0.00 2.92 2.80 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 0.00 0.00 0.00 0.00 146 S 8.88 4.15 0.00 4.11 4.21 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 0.00 147 N 8.05 4.61 0.00 2.88 3.02 0.00 0.00 6.02 8.04 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 0.00 148 N 8.08 4.73 0.00 2.87 2.79 0.00 0.00 6.87 7.84 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 0.00 149 S 8.33 4.82 0.00 4.10 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 0.00 150 S 8.87 4.77 0.00 4.04 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 0.00 151 A 8.30 3.54 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 0.00 152 D 8.96 4.82 0.00 2.65 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 0.00 153 V 7.32 4.30 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 0.83 0.00 0.00 0.94 0.00 0.00 154 D 8.74 4.68 0.00 2.64 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 0.00 155 L 7.58 4.44 0.00 1.42 1.32 0.79 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.37 4.35 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 0.63 0.00 0.00 0.96 0.00 0.00 157 I 8.36 4.20 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.51 0.82 0.00 0.00 158 P 0.00 4.46 0.00 1.68 0.58 0.00 3.49 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.22 0.00 159 T 8.52 4.32 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 0.00 160 N 8.91 5.10 0.00 3.03 2.90 0.00 0.00 7.00 7.36 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 0.00 161 N 8.94 5.17 0.00 2.86 2.87 0.00 0.00 6.05 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 K 9.43 4.52 0.00 1.84 1.92 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.39 7.81 163 G 8.27 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 0.00 164 R 8.15 3.50 0.00 0.67 1.43 0.00 2.74 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.00 165 R 7.80 3.94 0.00 1.90 1.96 0.00 3.29 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 166 A 7.80 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 8.31 4.09 0.00 1.82 2.00 1.10 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.82 4.23 1.50 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 0.00 0.00 169 I 8.02 3.72 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 1.12 0.00 0.00 170 V 7.89 3.73 2.11 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 0.89 0.00 0.00 1.08 0.00 0.00 171 Y 8.56 4.28 0.00 3.44 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 W 8.50 2.93 0.00 2.89 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 0.00 173 L 8.22 3.53 0.00 1.95 1.67 1.03 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.10 3.99 0.00 2.21 2.20 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.26 3.72 1.54 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 0.00 0.00 176 R 7.63 2.00 0.00 0.67 1.14 0.00 2.71 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 177 E 8.02 3.81 0.00 1.88 1.88 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 2.28 2.40 0.00 178 I 7.48 3.68 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.08 0.85 0.00 0.00 179 A 7.74 3.97 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 0.00 180 K 7.98 3.99 0.00 1.68 1.81 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.41 7.81 181 I 7.32 3.71 1.98 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 1.48 0.83 0.88 0.00 0.00 182 R 7.97 4.15 0.00 1.93 1.98 0.00 3.33 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 183 G 7.42 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 Q 8.30 4.26 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 185 D 8.64 4.41 0.00 2.68 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 0.00 186 F 8.78 4.78 0.00 2.97 2.83 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 0.00 187 T 7.83 4.55 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 1.12 0.00 0.00 188 Y 6.77 4.51 0.00 2.87 3.19 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 0.00 189 S 9.42 4.87 0.00 3.84 4.02 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 0.00 190 I 7.26 2.86 1.40 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 -0.36 0.68 0.00 0.00 191 E 7.57 4.65 0.00 2.07 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 2.28 2.33 0.00 192 D 7.84 4.49 0.00 3.17 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 0.00 193 F 8.19 4.46 0.00 3.16 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 0.00 194 E 7.54 4.11 0.00 2.18 1.85 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 2.31 2.40 0.00 195 A 8.50 4.31 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 E 8.60 4.41 0.00 2.03 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 2.33 2.36 0.00 197 L 8.08 4.72 0.00 1.71 1.60 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 198 E 8.58 4.29 0.00 1.95 1.89 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 2.31 2.32 0.00 199 G 9.24 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 G 7.59 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 0.00 0.00 0.00 201 S 8.12 4.60 0.00 3.93 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 0.00 202 H 8.21 4.44 0.00 3.12 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.