NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5168 8.3001 120.3518 54.9526 32.2823 173.9474 2 A 3.9172 8.1741 126.8850 50.8886 19.1864 176.2199 3 S 4.1174 9.5498 120.0425 59.0966 64.1745 172.4518 4 L 4.6228 8.0518 125.0787 52.9218 43.3594 175.7976 5 E 4.3575 8.5067 122.1145 55.1861 30.6314 175.8903 6 D 4.6987 8.7853 124.6152 54.2037 41.6461 176.7357 7 G 4.0364 7.8782 107.7850 46.7738 0.0000 170.6116 8 T 5.2379 7.5596 109.5387 60.9584 71.0644 173.5677 9 Y 5.3055 9.3998 120.9295 57.0038 43.5513 173.7028 10 R 5.4000 8.9887 118.7716 53.8011 33.6084 175.4673 11 L 4.9920 8.8160 122.2096 53.1160 44.5156 175.0563 12 R 4.6585 9.0483 125.4598 54.0495 32.1557 175.1548 13 A 2.8157 8.4270 129.5687 51.7785 18.8671 176.9031 14 V 4.2595 7.8521 122.1790 60.9049 35.0530 173.9920 15 T 4.8802 7.8983 113.6036 62.1017 72.3264 175.4698 16 T 3.7964 8.9112 119.2887 65.5042 67.2798 175.9598 17 S 4.2890 8.9423 117.0952 60.6462 63.5352 174.0968 18 N 4.9471 7.5673 117.7438 50.9307 38.3819 172.7641 19 P 4.4295 0.0000 0.0000 64.4495 32.0918 177.3493 20 D 4.6040 7.5158 117.3484 51.7001 41.3399 172.7113 21 P 4.4049 0.0000 0.0000 62.9843 32.3656 176.1897 22 G 3.9131 7.6758 102.5871 44.0053 0.0000 173.7371 23 V 3.9056 8.1825 114.9877 62.0595 33.2711 178.0023 24 G 3.7452 8.8250 108.7497 48.9759 0.0000 173.6961 25 G 3.7841 9.0486 110.4637 44.1572 0.0000 170.7812 26 E 5.1453 8.0463 115.7276 54.7351 33.6465 174.8645 27 Y 5.5388 9.0754 119.7887 55.8277 42.2122 174.8912 28 A 4.6500 9.1236 124.9254 52.6894 19.7784 176.7456 29 T 5.2160 9.5936 119.7125 61.6869 72.4770 173.9800 30 V 4.1343 8.4327 126.8138 61.9579 31.8830 175.3783 31 E 4.3691 8.6156 122.1548 57.1015 31.2661 176.1535 32 G 4.3763 7.5560 103.5057 45.0369 0.0000 172.2312 33 A 3.6638 8.3203 122.7675 53.4137 18.3069 177.7419 34 R 4.0381 8.8818 121.9343 57.4205 28.3645 176.0237 35 Q 4.8072 7.6611 115.6843 53.0436 32.4085 173.4381 36 P 4.6792 0.0000 0.0000 63.0799 32.1485 176.5625 37 V 3.9271 8.7671 124.5656 62.7311 32.8847 175.4244 38 K 4.9385 9.2383 126.5768 54.8996 35.3963 174.8484 39 A 5.1912 8.6359 123.6866 50.5600 20.4514 176.0525 40 E 4.5376 9.2227 121.7339 53.9091 34.1510 173.9714 41 P 5.2431 0.0000 0.0000 62.1053 32.6529 177.2233 42 S 4.5962 8.7529 116.2191 57.4803 60.5761 172.5071 43 T 4.8632 7.7906 113.9743 58.2938 71.4689 173.9906 44 P 4.2176 0.0000 0.0000 65.5001 31.2232 177.1576 45 P 3.9877 0.0000 0.0000 64.0496 31.4557 176.7948 46 F 4.9660 8.3154 115.8712 57.1022 41.2828 176.8512 47 F 4.1327 7.8859 122.7831 61.5067 39.0075 175.8573 48 E 4.2482 8.3068 115.9560 57.4161 29.5355 176.9706 49 R 5.0201 8.1695 117.6059 55.1126 30.7812 176.1017 50 Q 4.8796 7.9571 114.3758 54.7892 30.7360 174.3348 51 I 4.8725 7.6436 120.0644 59.4305 39.0472 175.0923 52 W 4.9490 9.4037 126.6717 54.8270 33.1902 174.2608 53 Q 4.9200 9.7604 126.1174 55.1442 30.2589 174.2864 54 V 4.8385 9.5074 127.8453 61.5718 33.9429 174.3933 55 T 5.0727 8.7301 124.2704 61.7205 71.8476 172.8944 56 R 4.6880 9.1221 127.9276 55.7110 30.9574 176.0262 57 N 4.9084 9.6421 125.5219 52.0115 41.1825 174.2136 58 S 4.3637 8.4407 114.9077 58.2126 63.4943 172.5567 59 D 4.3062 10.2771 123.7405 53.0839 40.0569 176.8257 60 G 4.1367 7.7382 106.1202 46.9107 0.0000 173.6386 61 Q 4.6948 7.3267 118.4341 54.6892 31.1623 174.8394 62 S 5.3811 9.1112 116.8480 57.0477 67.1506 173.2881 63 T 5.2273 8.5856 111.2733 60.1362 72.3401 173.3425 64 I 4.8893 8.1732 122.0094 59.7779 40.4381 174.4627 65 K 5.3705 9.5302 126.6386 54.7201 36.6082 174.7268 66 Y 4.4941 9.3438 124.3601 56.3896 39.9333 176.0218 67 Q 4.4201 7.9772 124.6466 55.9667 29.6501 176.0989 68 G 4.0109 6.6663 106.1724 45.2534 0.0000 175.0460 69 L 4.0563 8.0864 121.2438 55.5881 42.0368 176.2791 70 N 4.1566 8.3470 114.7747 54.9510 36.8519 173.0135 71 A 4.9174 7.6325 118.5759 49.3917 22.4307 175.6749 72 P 4.3348 0.0000 0.0000 63.6995 31.1925 175.4840 73 F 4.9319 7.7788 116.6243 56.0726 42.7457 173.3835 74 E 4.7393 8.2576 120.0916 55.4910 31.4743 175.6889 75 Y 5.0380 8.2763 118.3176 57.1258 43.0201 174.6969 76 G 4.5063 9.1260 108.7258 45.7172 0.0000 171.9947 77 F 4.7283 8.9972 118.8682 58.1588 39.6434 175.3262 78 S 4.7752 8.7077 116.1957 57.0031 65.5600 172.0400 79 Y 5.0870 7.5008 120.4648 55.4717 40.2158 172.8070 80 D 4.6094 8.0471 116.8652 53.5968 44.2561 176.1235 81 Q 4.5461 7.7702 118.9977 53.7559 32.3662 174.6218 *83 E 3.7623 8.1471 115.7347 55.5324 30.5221 174.8442 84 Q 3.9070 7.6582 119.7188 58.1018 28.9967 176.8464 85 N 4.2939 9.3716 120.9379 53.5335 37.1856 174.2281 86 A 4.3493 8.2679 122.1189 51.4647 19.3963 176.1382 87 P 4.7070 0.0000 0.0000 62.8912 32.6353 176.4695 88 V 3.7956 8.0810 121.8912 61.6446 33.6293 175.1084 *90 A 4.6146 7.4363 120.9804 52.0165 18.2710 175.3815 91 G 4.3253 7.6558 115.3232 45.2927 0.0000 171.6350 92 D 4.7741 8.6960 124.1835 53.0654 41.9497 175.5991 93 P 4.4226 0.0000 0.0000 63.5870 31.7787 175.6604 94 K 4.5065 8.3009 122.1720 54.3970 34.5787 175.9314 95 E 4.6005 8.3663 121.4127 56.5732 30.4157 175.8506 96 Y 4.9531 9.4185 120.4116 56.3208 42.9168 174.3248 97 I 4.5102 8.8224 123.0807 60.3363 38.9715 174.9795 98 L 4.8781 8.5914 127.8546 53.6225 42.5457 175.9434 99 Q 4.5265 8.7664 127.3182 53.8183 30.5726 174.5802 100 L 3.6394 8.4723 129.4078 55.3282 43.0160 176.5740 101 V 4.0297 8.7206 120.7245 59.6281 32.6227 174.3224 102 P 4.2688 0.0000 0.0000 64.6178 31.3772 176.1399 103 S 4.0330 8.8815 114.2396 59.4367 59.9076 169.9757 104 T 4.7467 7.3506 114.8362 62.1475 71.9917 173.9013 105 T 4.4761 8.4923 112.3799 61.9646 70.6071 174.6628 106 D 5.1405 7.9494 119.9931 52.8672 41.9094 174.3216 107 V 4.9726 7.7598 119.4937 62.0226 33.7458 173.9926 108 Y 5.1705 9.5825 125.3060 56.2261 42.0154 174.6140 109 I 4.5635 8.9569 123.5922 60.8035 39.1785 175.2506 110 I 4.7154 8.8304 128.1714 60.0610 37.8730 174.2659 111 R 5.2648 8.9880 124.2362 54.2356 31.9657 175.7108 112 A 4.4614 8.9200 124.5348 50.9711 19.2071 177.0957 113 P 4.5342 0.0000 0.0000 62.1072 29.7770 175.7892 114 I 4.5861 7.2917 125.2825 61.3832 39.4849 177.0780 115 Q 4.0154 8.3343 120.4096 58.5421 28.6767 179.0690 116 R 3.9494 7.9570 115.4400 58.7154 30.2291 177.9587 117 V 3.5983 7.5131 117.2144 64.1744 31.5868 176.8847 118 G 4.0719 9.2236 107.2516 44.8614 0.0000 172.9356 119 V 4.6276 7.1568 110.5921 59.6307 36.2958 173.7662 120 D 4.8771 8.8057 121.9384 52.6968 43.4146 175.1633 121 V 4.5772 8.1880 124.6756 61.1267 34.3983 173.8968 122 E 5.3963 9.4472 126.8925 54.4215 33.8474 175.3243 123 V 4.2945 8.9771 122.9210 62.8342 31.9720 175.0130 124 G 4.6753 9.3499 119.2312 45.0438 0.0000 171.2426 125 V 4.9805 8.4050 118.6969 61.1753 35.0496 175.9808 126 Q 4.3171 9.1908 125.8690 55.3278 32.0925 175.5654 127 G 3.9318 8.5271 117.5532 47.1904 0.0000 173.1803 128 N 5.0739 8.8254 120.1362 52.7063 39.8693 171.9417 129 N 5.3048 8.0818 115.6987 51.1623 42.4823 174.0819 130 L 4.6164 8.3901 123.4532 54.9532 42.9492 176.6692 131 V 4.7406 8.7372 116.1847 59.7576 37.0791 173.7620 132 Y 4.9315 8.7341 120.0075 57.4963 39.1702 175.0119 133 K 5.1372 9.5206 124.3053 54.7004 35.1618 175.2624 134 F 5.1319 9.3766 123.9311 56.4798 40.6083 175.4142 135 F 4.9837 9.0565 119.9642 55.1307 43.9215 172.1852 136 P 4.7301 0.0000 0.0000 62.5834 31.7137 176.4670 137 V 3.8341 8.4865 125.1776 62.8638 31.6451 173.5213 138 D 4.6992 8.3169 125.4703 54.6493 43.6489 176.3915 139 G 4.3417 7.5444 106.6966 44.6250 0.0000 171.0962 140 S 4.6092 8.7883 112.1384 60.2245 70.0800 175.9892 141 G 3.9866 9.2029 107.2195 45.8726 0.0000 174.8689 142 G 3.9727 8.1652 112.7104 45.3192 0.0000 169.7834 143 D 4.0749 8.0601 119.4659 54.7812 40.5606 172.4335 144 R 4.5718 7.7221 123.5859 53.1801 34.7441 173.0439 145 P 4.6910 0.0000 0.0000 62.9432 32.5021 175.0785 146 A 4.9515 8.5743 123.4625 50.5233 23.7918 174.4422 147 W 5.3162 9.5753 117.7032 55.1524 33.3880 175.0407 148 R 4.9686 9.2738 125.9921 55.5983 30.8828 175.0552 149 F 5.2520 9.5419 127.1923 56.6299 40.0012 175.4380 150 T 4.8756 8.9068 115.3580 59.4291 70.9695 173.9812 151 R 3.7714 8.8993 126.7163 56.2879 30.9726 175.9320 152 E 4.2166 8.7329 124.5692 56.6574 29.1329 176.6535 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 8.30 4.52 0.00 2.03 2.33 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 2 A 8.17 3.92 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 3 S 9.55 4.12 0.00 3.89 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 4 L 8.05 4.62 0.00 1.32 1.42 -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.51 4.36 0.00 1.98 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 2.32 2.36 0.00 6 D 8.79 4.70 0.00 2.61 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 7 G 7.88 4.04 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 0.00 0.00 0.00 8 T 7.56 5.24 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 9 Y 9.40 5.31 0.00 3.03 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 10 R 8.99 5.40 0.00 1.94 1.95 0.00 2.93 0.00 0.00 2.99 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 11 L 8.82 4.99 0.00 1.39 1.37 0.58 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 12 R 9.05 4.66 0.00 1.43 1.68 0.00 3.00 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.87 0.00 13 A 8.43 2.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.85 4.26 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 0.72 0.00 0.00 0.83 0.00 0.00 15 T 7.90 4.88 4.13 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 0.00 0.00 0.00 1.29 0.00 0.00 16 T 8.91 3.80 4.46 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 1.21 0.00 0.00 17 S 8.94 4.29 0.00 4.06 3.87 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 18 N 7.57 4.95 0.00 2.71 2.56 0.00 0.00 6.81 7.59 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 19 P 0.00 4.43 0.00 2.19 2.12 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 20 D 7.52 4.60 0.00 2.59 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.40 0.00 2.03 2.04 0.00 3.65 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 1.92 2.17 0.00 22 G 7.68 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 0.00 0.00 0.00 23 V 8.18 3.91 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 0.74 0.00 0.00 0.96 0.00 0.00 24 G 8.83 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 25 G 9.05 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 26 E 8.05 5.15 0.00 1.78 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 27 Y 9.08 5.54 0.00 3.22 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 28 A 9.12 4.65 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 29 T 9.59 5.22 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 1.36 0.00 0.00 30 V 8.43 4.13 1.12 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 -0.64 0.00 0.00 0.71 0.00 0.00 31 E 8.62 4.37 0.00 1.95 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 2.25 2.30 0.00 32 G 7.56 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 0.00 0.00 0.00 0.00 33 A 8.32 3.66 0.50 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 34 R 8.88 4.04 0.00 1.97 2.09 0.00 3.35 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 35 Q 7.66 4.81 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 36 P 0.00 4.68 0.00 1.92 1.97 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 37 V 8.77 3.93 1.65 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 0.87 0.00 0.00 0.84 0.00 0.00 38 K 9.24 4.94 0.00 1.70 1.83 0.00 1.96 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.39 7.81 39 A 8.64 5.19 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 40 E 9.22 4.54 0.00 1.51 1.12 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 1.97 1.91 0.00 41 P 0.00 5.24 0.00 2.21 2.14 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.87 0.00 42 S 8.75 4.60 0.00 3.58 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 43 T 7.79 4.86 4.36 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 0.00 0.00 0.00 1.35 0.00 0.00 44 P 0.00 4.22 0.00 2.14 2.11 0.00 3.61 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 2.08 2.06 0.00 45 P 0.00 3.99 0.00 0.66 1.66 0.00 3.40 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.92 0.00 46 F 8.32 4.97 0.00 3.33 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.89 4.13 0.00 3.28 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 48 E 8.31 4.25 0.00 2.04 2.00 0.00 0.00 0.00 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 2.49 0.00 49 R 8.17 5.02 0.00 1.96 1.78 0.00 3.20 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 50 Q 7.96 4.88 0.00 1.81 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.01 6.88 0.00 0.00 0.00 0.00 0.00 2.65 2.38 0.00 51 I 7.64 4.87 1.64 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.36 0.80 0.00 0.00 52 W 9.40 4.95 0.00 3.20 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 9.76 4.92 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 54 V 9.51 4.84 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 0.69 0.00 0.00 1.11 0.00 0.00 55 T 8.73 5.07 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 1.24 0.00 0.00 56 R 9.12 4.69 0.00 1.75 1.81 0.00 3.23 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 1.73 1.55 0.00 57 N 9.64 4.91 0.00 2.82 2.73 0.00 0.00 6.32 5.12 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 58 S 8.44 4.36 0.00 3.97 3.87 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 59 D 10.28 4.31 0.00 2.77 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 60 G 7.74 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 0.00 0.00 0.00 61 Q 7.33 4.69 0.00 1.85 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 62 S 9.11 5.38 0.00 3.65 3.62 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 0.00 0.00 0.00 0.00 63 T 8.59 5.23 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 1.27 0.00 0.00 64 I 8.17 4.89 0.83 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.41 -0.17 0.00 0.00 65 K 9.53 5.37 0.00 1.75 2.07 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.41 7.81 66 Y 9.34 4.49 0.00 2.52 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 67 Q 7.98 4.42 0.00 1.85 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 68 G 6.67 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 69 L 8.09 4.06 0.00 1.86 1.82 0.84 1.13 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 70 N 8.35 4.16 0.00 2.88 2.92 0.00 0.00 6.70 7.96 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 71 A 7.63 4.92 1.52 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 72 P 0.00 4.33 0.00 1.41 1.91 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 73 F 7.78 4.93 0.00 2.67 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 74 E 8.26 4.74 0.00 1.76 1.84 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 2.23 2.31 0.00 75 Y 8.28 5.04 0.00 3.12 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 9.13 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 9.00 4.73 0.00 2.77 2.79 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 78 S 8.71 4.78 0.00 3.98 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 79 Y 7.50 5.09 0.00 2.76 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 80 D 8.05 4.61 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.77 4.55 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.38 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 *83 E 8.15 3.76 0.00 2.00 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 0.00 2.28 2.28 0.00 84 Q 7.66 3.91 0.00 1.63 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.36 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 85 N 9.37 4.29 0.00 2.91 2.94 0.00 0.00 7.03 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 86 A 8.27 4.35 1.52 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 87 P 0.00 4.71 0.00 2.08 2.07 0.00 3.84 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 88 V 8.08 3.80 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.08 0.00 0.00 *90 A 7.44 4.61 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 7.66 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.70 4.77 0.00 2.60 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 93 P 0.00 4.42 0.00 2.10 2.09 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 94 K 8.30 4.51 0.00 0.79 0.74 0.00 1.25 0.00 0.00 1.40 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 0.78 7.81 95 E 8.37 4.60 0.00 1.82 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 2.30 2.31 0.00 96 Y 9.42 4.95 0.00 2.92 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 97 I 8.82 4.51 1.93 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 1.25 0.67 0.95 0.00 0.00 98 L 8.59 4.88 0.00 1.34 1.44 0.90 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.77 4.53 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 100 L 8.47 3.64 0.00 1.31 1.38 0.37 0.92 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 0.00 101 V 8.72 4.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.86 0.00 0.00 102 P 0.00 4.27 0.00 2.13 2.03 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 103 S 8.88 4.03 0.00 4.04 4.04 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 0.00 104 T 7.35 4.75 4.45 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 1.19 0.00 0.00 105 T 8.49 4.48 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 1.22 0.00 0.00 106 D 7.95 5.14 0.00 3.13 2.99 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 0.00 107 V 7.76 4.97 2.04 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 1.01 0.00 0.00 0.97 0.00 0.00 108 Y 9.58 5.17 0.00 2.93 2.82 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 0.00 109 I 8.96 4.56 1.93 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 1.24 0.72 1.01 0.00 0.00 110 I 8.83 4.72 1.94 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.09 0.72 0.00 0.00 111 R 8.99 5.26 0.00 1.94 2.20 0.00 2.80 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 112 A 8.92 4.46 0.77 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 0.00 0.00 113 P 0.00 4.53 0.00 2.14 2.22 0.00 3.43 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 114 I 7.29 4.59 1.61 0.00 0.00 0.72 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 1.21 0.69 0.00 0.00 115 Q 8.33 4.02 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.64 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 116 R 7.96 3.95 0.00 1.77 1.99 0.00 3.18 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 117 V 7.51 3.60 2.35 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 0.73 0.00 0.00 0.89 0.00 0.00 118 G 9.22 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 0.00 119 V 7.16 4.63 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 0.81 0.00 0.00 0.97 0.00 0.00 120 D 8.81 4.88 0.00 2.80 2.78 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 0.00 121 V 8.19 4.58 1.72 0.00 0.00 0.00 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 -0.36 0.00 0.00 122 E 9.45 5.40 0.00 2.19 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 2.32 2.47 0.00 123 V 8.98 4.29 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 0.46 0.00 0.00 0.95 0.00 0.00 124 G 9.35 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 0.00 125 V 8.40 4.98 2.04 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 0.86 0.00 0.00 1.04 0.00 0.00 126 Q 9.19 4.32 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.37 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 127 G 8.53 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 0.00 0.00 0.00 128 N 8.83 5.07 0.00 2.67 2.85 0.00 0.00 6.60 6.92 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 0.00 129 N 8.08 5.30 0.00 2.85 2.63 0.00 0.00 7.08 6.76 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 0.00 130 L 8.39 4.62 0.00 1.50 1.16 0.96 -0.25 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 0.00 131 V 8.74 4.74 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 0.78 0.00 0.00 0.97 0.00 0.00 132 Y 8.73 4.93 0.00 3.24 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 0.00 133 K 9.52 5.14 0.00 1.88 1.57 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.67 7.81 134 F 9.38 5.13 0.00 2.74 2.89 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 0.00 135 F 9.06 4.98 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 0.00 136 P 0.00 4.73 0.00 2.02 2.10 0.00 3.89 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 2.11 2.15 0.00 137 V 8.49 3.83 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 0.81 0.00 0.00 0.95 0.00 0.00 138 D 8.32 4.70 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.54 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 0.00 0.00 0.00 0.00 140 S 8.79 4.61 0.00 3.82 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 0.00 141 G 9.20 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 0.00 142 G 8.17 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 0.00 143 D 8.06 4.07 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 4.57 0.00 1.53 1.65 0.00 2.21 0.00 0.00 2.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.22 0.00 145 P 0.00 4.69 0.00 2.28 2.08 0.00 3.65 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 2.21 2.22 0.00 146 A 8.57 4.95 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 0.00 147 W 9.58 5.32 0.00 3.36 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 0.00 148 R 9.27 4.97 0.00 1.92 1.87 0.00 3.16 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 149 F 9.54 5.25 0.00 2.82 2.79 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 0.00 150 T 8.91 4.88 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 151 R 8.90 3.77 0.00 1.81 1.84 0.00 2.28 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 152 E 8.73 4.22 0.00 1.86 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 2.30 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.