NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3505 8.3344 116.7943 58.6667 64.6570 173.6956 0 M 3.9605 7.6735 121.8310 54.6041 32.1649 174.9771 *7 S 4.4805 8.6577 121.8720 58.3601 66.0332 173.6838 8 V 4.5722 7.4407 117.3606 61.5356 34.2653 173.2441 9 F 4.6172 8.5636 126.2698 56.9683 42.1107 173.5309 10 A 4.2524 7.5626 131.3802 50.5046 18.5543 175.2396 11 Y 4.2380 8.1168 122.8616 57.6458 39.7769 174.7086 12 E 4.2373 7.5297 125.4448 54.3231 32.4544 174.9515 13 S 4.3946 8.2892 118.8993 56.9478 63.4241 173.7961 14 S 4.4772 8.5576 121.2625 59.1943 63.8851 175.5226 15 V 4.1395 7.4913 113.8228 62.4550 32.1997 177.0037 16 H 4.1175 8.0852 118.8797 59.4677 29.6180 177.2618 17 S 4.0075 7.9808 115.1711 61.8796 63.0065 176.2584 18 T 3.8288 7.8691 119.0724 66.2986 68.1732 176.1682 19 N 4.3933 8.2673 118.5589 55.8793 38.4611 177.7168 20 V 3.4793 7.8682 120.0830 65.9311 31.6506 177.7173 21 L 3.8481 7.9078 120.0403 58.1229 41.8131 178.8503 22 L 3.9878 7.8903 118.7495 58.1152 41.5380 179.7409 23 S 4.1486 8.1349 114.8790 61.6006 62.6724 176.8340 24 L 4.0631 8.3035 122.0471 57.7866 41.2774 179.0063 25 N 4.3657 8.7901 117.5438 56.7615 38.8982 176.4540 26 D 4.3045 8.3027 119.5589 57.2306 41.3315 178.0682 27 Q 3.9980 8.4280 118.9868 59.0108 28.7786 178.7370 28 R 3.7090 8.1138 119.5098 59.6482 29.8425 178.7204 29 K 3.9373 8.0326 116.9648 59.1774 32.1592 178.9309 30 K 4.1101 8.0205 116.2232 56.0639 32.4706 176.1889 31 D 4.3525 7.9467 117.8754 55.4066 40.4133 173.1597 32 V 4.3000 8.0739 116.7327 61.9231 33.6679 175.0042 33 L 3.6524 8.5755 124.1709 55.8977 39.2437 174.4765 34 C 4.3689 7.3423 114.6832 59.6529 28.9850 173.5863 35 D 4.9519 8.8866 116.7623 53.4512 42.2535 175.0262 36 V 4.9222 7.7340 118.5142 60.5659 35.6005 174.1350 37 T 4.9191 8.6857 119.0322 62.0019 71.3666 172.9308 38 I 4.9213 8.8607 128.2392 59.9863 39.4484 174.7908 39 F 5.0955 9.6477 126.4091 55.9934 40.8851 174.9857 40 V 4.3476 8.7435 124.7992 61.1732 34.0130 175.4005 41 E 3.9149 9.9350 128.0837 57.5398 27.0599 175.3434 42 G 3.9829 8.7410 105.0329 46.8406 0.0000 174.2399 43 Q 4.6894 8.3498 120.4219 53.4687 31.1472 178.2975 44 R 4.2349 8.2735 123.0125 54.3386 31.4996 175.7811 45 F 4.6365 9.0221 123.4030 55.5496 41.5481 175.1550 46 R 4.6470 8.6137 123.0285 56.3362 31.2017 175.6204 47 A 4.4405 8.5236 122.8699 51.9905 23.8206 174.1332 48 H 5.2705 9.1591 116.0800 54.2764 30.3666 177.0638 49 R 3.9449 10.2249 122.4129 59.2432 29.2112 179.2401 50 S 4.1114 8.0775 114.5352 61.3754 62.9915 176.6383 51 V 3.4798 7.7017 121.5434 65.4340 31.3527 177.7672 52 L 4.0354 7.9305 118.5297 57.8500 41.2248 179.3802 53 A 4.2653 8.1115 119.3297 55.1428 18.3891 179.0569 54 A 4.1327 8.0246 118.3757 55.4325 18.7232 179.0193 55 C 4.5062 8.1401 113.5945 59.8273 28.8995 173.6550 56 S 4.9097 7.9243 115.5135 55.6436 65.5638 174.7338 57 S 4.2300 8.6745 124.0650 61.7642 62.4212 176.2211 58 Y 3.9053 7.7474 122.3152 60.9153 38.3815 178.3967 59 F 4.6646 8.2480 118.6486 60.7574 39.0037 177.0610 60 H 4.1970 8.5400 118.0556 59.5300 29.4289 177.4637 61 S 4.1294 7.9601 115.5135 61.5868 62.8156 176.3004 62 R 4.2255 7.5963 117.4068 57.1631 30.3247 177.5495 63 I 4.3629 7.3908 119.7839 62.6000 38.8910 177.8247 64 V 3.5571 7.7593 118.6148 65.6681 31.4020 176.8466 65 G 3.9219 7.9781 105.7622 46.2083 0.0000 174.3089 66 Q 4.3848 7.3864 122.4791 55.5505 28.2499 174.7923 *70 E 4.3825 8.4340 125.2265 57.2401 31.0456 175.3741 71 L 4.8758 8.1932 124.3138 53.4728 46.1034 174.5306 72 N 5.6438 8.9641 122.3247 51.6388 41.5271 173.6305 73 I 4.6283 8.9109 124.7931 59.8644 40.1726 174.6698 74 T 5.0545 8.8035 126.6430 62.7751 69.5813 175.1078 75 L 4.5129 8.7224 130.1079 53.4136 42.1830 171.8939 76 P 4.4827 0.0000 0.0000 61.9492 32.2954 177.5325 77 E 4.0732 8.4629 113.4483 58.3867 29.6822 175.1851 78 E 3.9371 7.8222 115.7992 59.3651 29.7111 177.3214 79 V 3.6167 7.1678 119.5125 62.1980 31.9324 175.7420 80 T 4.7441 7.9842 117.6169 59.8411 72.3960 175.4229 81 V 3.7883 8.7091 122.0546 66.1987 31.3781 178.4215 82 K 4.0420 8.1972 118.1685 59.2109 32.0686 178.2934 83 G 3.7887 7.5236 104.6724 47.0000 0.0000 175.4566 84 F 4.3215 8.6974 123.3221 60.8246 39.4689 176.8771 85 E 3.8145 8.4781 119.3254 59.1314 29.3458 177.2338 86 P 4.3184 0.0000 0.0000 65.3007 31.2496 178.5908 87 L 4.0543 7.5048 117.6558 57.5279 41.8283 178.9314 88 I 3.5795 7.2366 118.6338 63.9871 37.8078 177.9847 89 Q 4.0341 8.0179 119.0792 58.7682 28.5098 178.4247 90 F 4.1968 8.4819 121.6644 61.4202 39.2487 176.6923 91 A 3.8230 8.0430 119.1365 55.1140 18.2077 178.2970 92 Y 4.3476 7.7629 111.3575 58.1468 38.9263 176.4379 93 T 4.3201 7.6395 107.6041 60.0324 70.5184 174.9432 94 A 2.9854 8.1749 123.3931 51.6361 16.9685 176.9667 95 K 4.5770 7.6771 116.4408 54.6449 34.1229 175.0354 96 L 4.5896 8.7710 128.3295 53.4137 42.9568 175.2374 97 I 4.3392 8.3273 127.6562 59.7648 38.1138 175.1881 98 L 4.9991 8.3148 125.3305 53.0136 44.4373 176.3763 99 S 4.7776 9.3657 118.1607 56.2509 67.3527 175.7448 100 K 3.8448 8.7802 127.2959 60.2898 31.2486 179.3496 101 E 4.2745 8.1168 118.7628 58.8709 30.0547 177.7735 102 N 4.7143 7.8529 114.8059 53.5275 38.1000 177.0321 103 V 3.6216 7.8940 123.9719 66.6294 31.5170 178.1377 104 D 4.4765 8.1607 123.1739 58.7674 39.9542 182.1776 105 E 4.1748 8.0597 119.2468 60.9210 29.8161 181.4764 106 V 3.9101 8.0112 119.5762 65.9634 31.6324 177.5994 107 C 4.1005 8.2404 120.8978 63.1199 31.3931 176.3763 108 K 4.0890 8.3479 127.6835 60.7255 31.2982 181.3319 109 C 4.4929 8.0635 120.0600 62.2668 27.8841 177.9809 110 V 3.8060 7.9440 118.9264 66.4174 30.8654 177.9826 111 E 3.9858 7.8332 117.1566 59.2076 29.3587 178.9162 112 F 4.0250 8.0906 119.6481 61.2306 39.8084 176.8807 113 L 3.9051 8.2990 116.9746 54.4175 42.6046 176.5224 114 S 3.8001 7.7156 114.9298 59.3929 60.7404 172.6843 115 V 4.1922 7.3779 118.3133 62.7247 32.3361 175.3132 116 H 4.5945 8.6700 124.9252 56.3173 29.3964 174.1405 117 N 4.2246 8.7378 114.8805 54.9844 35.6002 174.9912 118 I 4.0967 7.7544 120.5181 59.6353 39.2957 176.2791 119 E 3.9580 8.8152 124.7146 56.4268 29.3228 173.9065 120 E 4.2079 8.6155 120.0498 55.2572 29.7998 173.7773 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 S 8.33 4.35 0.00 3.88 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 M 7.67 3.96 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.88 0.00 *7 S 8.66 4.48 0.00 3.95 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 8 V 7.44 4.57 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 0.75 0.00 0.00 0.96 0.00 0.00 9 F 8.56 4.62 0.00 2.98 2.94 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 10 A 7.56 4.25 1.03 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 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.12 4.24 0.00 3.23 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 12 E 7.53 4.24 0.00 1.67 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 13 S 8.29 4.39 0.00 3.87 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 14 S 8.56 4.48 0.00 3.99 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 15 V 7.49 4.14 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 0.82 0.00 0.00 0.98 0.00 0.00 16 H 8.09 4.12 0.00 3.28 3.33 0.00 5.78 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.98 4.01 0.00 4.04 4.09 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 18 T 7.87 3.83 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 1.20 0.00 0.00 19 N 8.27 4.39 0.00 3.00 2.84 0.00 0.00 6.58 7.23 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 20 V 7.87 3.48 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 1.01 0.00 0.00 0.72 0.00 0.00 21 L 7.91 3.85 0.00 1.70 1.59 0.69 0.42 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 22 L 7.89 3.99 0.00 1.92 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.13 4.15 0.00 3.99 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 24 L 8.30 4.06 0.00 1.89 1.84 0.76 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.79 4.37 0.00 3.20 3.01 0.00 0.00 6.86 8.05 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 26 D 8.30 4.30 0.00 2.89 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 27 Q 8.43 4.00 0.00 2.45 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 28 R 8.11 3.71 0.00 1.57 1.79 0.00 2.70 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.51 0.00 29 K 8.03 3.94 0.00 1.71 1.82 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.53 7.81 30 K 8.02 4.11 0.00 2.15 1.84 0.00 1.97 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.47 1.31 7.81 31 D 7.95 4.35 0.00 2.74 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 32 V 8.07 4.30 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 0.95 0.00 0.00 0.92 0.00 0.00 33 L 8.58 3.65 0.00 1.87 1.77 0.95 0.96 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 34 C 7.34 4.37 0.00 2.97 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 35 D 8.89 4.95 0.00 2.71 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 36 V 7.73 4.92 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 0.81 0.00 0.00 1.01 0.00 0.00 37 T 8.69 4.92 4.34 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 0.56 0.00 0.00 38 I 8.86 4.92 1.88 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 1.23 1.02 0.80 0.00 0.00 39 F 9.65 5.10 0.00 2.98 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 40 V 8.74 4.35 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 0.91 0.00 0.00 0.06 0.00 0.00 41 E 9.94 3.91 0.00 2.18 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 0.00 2.22 2.28 0.00 42 G 8.74 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.35 4.69 0.00 1.69 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.85 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 44 R 8.27 4.23 0.00 1.43 1.59 0.00 3.07 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.47 0.00 45 F 9.02 4.64 0.00 3.02 3.06 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 46 R 8.61 4.65 0.00 1.61 1.77 0.00 3.35 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 47 A 8.52 4.44 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 48 H 9.16 5.27 0.00 3.21 3.27 0.00 5.82 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 10.22 3.94 0.00 2.01 2.31 0.00 3.05 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 50 S 8.08 4.11 0.00 4.07 4.18 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 0.00 0.00 0.00 0.00 51 V 7.70 3.48 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 0.53 0.00 0.00 0.70 0.00 0.00 52 L 7.93 4.04 0.00 1.65 1.42 0.19 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.11 4.27 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 C 8.14 4.51 0.00 3.10 3.07 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 56 S 7.92 4.91 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 57 S 8.67 4.23 0.00 3.92 3.93 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 0.00 0.00 0.00 0.00 58 Y 7.75 3.91 0.00 2.89 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 59 F 8.25 4.66 0.00 3.47 3.12 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 60 H 8.54 4.20 0.00 3.67 3.56 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 61 S 7.96 4.13 0.00 3.72 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.60 4.23 0.00 1.91 2.07 0.00 3.09 0.00 0.00 3.09 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 63 I 7.39 4.36 2.00 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 1.47 1.37 0.93 0.00 0.00 64 V 7.76 3.56 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 0.70 0.00 0.00 0.62 0.00 0.00 65 G 7.98 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 66 Q 7.39 4.38 0.00 2.17 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.44 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 *70 E 8.43 4.38 0.00 2.00 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 2.22 2.42 0.00 71 L 8.19 4.88 0.00 1.91 1.45 0.96 0.69 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 72 N 8.96 5.64 0.00 2.63 2.77 0.00 0.00 6.82 7.45 0.00 0.00 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 I 8.91 4.63 2.10 0.00 0.00 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 1.36 0.80 1.24 0.00 0.00 74 T 8.80 5.05 4.28 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 1.24 0.00 0.00 75 L 8.72 4.51 0.00 1.42 1.45 0.92 1.27 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 76 P 0.00 4.48 0.00 2.16 2.28 0.00 3.52 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.20 0.00 77 E 8.46 4.07 0.00 2.01 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 2.23 1.90 0.00 78 E 7.82 3.94 0.00 1.30 1.76 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 2.27 2.21 0.00 79 V 7.17 3.62 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 0.50 0.00 0.00 0.33 0.00 0.00 80 T 7.98 4.74 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 1.18 0.00 0.00 81 V 8.71 3.79 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 1.39 0.00 0.00 1.15 0.00 0.00 82 K 8.20 4.04 0.00 1.82 1.85 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 83 G 7.52 3.79 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 84 F 8.70 4.32 0.00 2.98 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 85 E 8.48 3.81 0.00 2.34 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 2.39 2.51 0.00 86 P 0.00 4.32 0.00 2.18 2.09 0.00 3.63 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 2.20 2.18 0.00 87 L 7.50 4.05 0.00 1.64 1.67 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.24 3.58 0.99 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 1.47 1.42 0.73 0.00 0.00 89 Q 8.02 4.03 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 90 F 8.48 4.20 0.00 3.19 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 91 A 8.04 3.82 1.46 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 0.00 0.00 92 Y 7.76 4.35 0.00 3.02 3.10 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 0.00 0.00 0.00 93 T 7.64 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 1.26 0.00 0.00 94 A 8.17 2.99 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 95 K 7.68 4.58 0.00 1.77 1.73 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.38 7.81 96 L 8.77 4.59 0.00 1.35 1.44 0.86 0.83 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 97 I 8.33 4.34 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 1.44 0.76 0.92 0.00 0.00 98 L 8.31 5.00 0.00 1.58 1.53 0.88 0.83 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 99 S 9.37 4.78 0.00 3.94 3.89 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 0.00 100 K 8.78 3.84 0.00 1.87 1.81 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.10 7.81 101 E 8.12 4.27 0.00 1.93 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 2.30 2.43 0.00 102 N 7.85 4.71 0.00 3.00 3.04 0.00 0.00 6.70 9.02 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 0.00 103 V 7.89 3.62 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 0.96 0.00 0.00 0.97 0.00 0.00 104 D 8.16 4.48 0.00 2.73 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 0.00 105 E 8.06 4.17 0.00 1.97 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 2.31 1.93 0.00 106 V 8.01 3.91 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 0.89 0.00 0.00 0.99 0.00 0.00 107 C 8.24 4.10 0.00 3.08 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 0.00 108 K 8.35 4.09 0.00 1.80 1.80 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.33 7.81 109 C 8.06 4.49 0.00 2.87 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 0.00 110 V 7.94 3.81 2.21 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 0.94 0.00 0.00 0.92 0.00 0.00 111 E 7.83 3.99 0.00 2.13 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 0.00 2.35 2.47 0.00 112 F 8.09 4.03 0.00 3.07 2.93 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 0.00 0.00 0.00 0.00 113 L 8.30 3.91 0.00 1.79 1.52 1.10 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.72 3.80 0.00 4.02 3.86 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 0.00 115 V 7.38 4.19 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 0.89 0.00 0.00 0.98 0.00 0.00 116 H 8.67 4.59 0.00 3.25 3.22 0.00 5.85 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.74 4.22 0.00 3.06 3.03 0.00 0.00 6.73 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.75 4.10 1.75 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.47 0.74 0.00 0.00 119 E 8.82 3.96 0.00 1.98 1.79 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 2.23 1.88 0.00 120 E 8.62 4.21 0.00 1.98 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 0.00 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.