NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6902 8.2233 120.4815 54.0991 42.5633 174.2095 6 N 4.7733 8.7703 121.9350 52.3725 39.5925 173.4093 7 K 4.5191 9.3754 122.3515 54.3716 36.3892 174.4364 8 L 4.8797 8.1595 124.9888 53.9717 43.9036 174.9339 9 F 5.5057 9.3650 125.3140 55.6672 42.2508 174.0130 10 L 4.5375 8.9985 125.7705 53.7130 43.5708 175.1851 11 V 4.9815 8.7452 126.5446 61.2668 34.7945 173.2847 12 Y 5.2285 9.6256 129.4380 56.2149 40.4876 174.3681 13 V 4.6688 8.6472 126.7785 60.9740 35.2069 174.4139 14 G 4.0272 8.4353 112.4581 44.5173 0.0000 172.7848 15 G 3.8358 7.5103 107.6223 45.9438 0.0000 171.8143 16 T 4.8548 7.9777 113.6546 60.2244 70.7436 173.3494 17 A 4.8438 7.9630 124.2696 49.4525 22.1618 173.8780 18 P 4.4887 0.0000 0.0000 64.0586 31.7522 176.6489 19 G 4.0048 9.0606 111.4887 45.2914 0.0000 173.6455 20 A 4.2713 7.5017 122.2654 52.0441 18.9842 177.2947 21 N 4.5889 8.7656 119.0928 54.3838 39.2827 175.1440 22 I 4.6086 7.3157 109.4105 58.0182 40.5789 174.4072 23 E 4.3162 8.6637 121.6966 56.6231 30.1987 175.6708 24 L 5.1101 9.4293 125.4209 53.5186 45.5899 174.9766 25 H 5.5699 8.8115 116.0248 54.5483 32.7881 172.3429 26 D 5.0856 9.2683 120.3386 52.8123 45.5644 173.7420 27 I 4.7982 8.3519 122.5327 59.7100 38.8091 175.4063 28 R 4.6428 8.8718 126.1432 54.2978 33.5750 174.6619 29 F 5.2364 8.6706 120.5266 56.1170 40.7426 175.6410 30 V 4.8142 8.9897 115.8694 59.6181 36.3457 174.4778 31 V 4.9234 8.6252 122.9328 61.3943 33.6916 174.9039 32 G 4.1849 8.6851 112.9355 45.2690 0.0000 172.4920 33 P 5.1097 0.0000 0.0000 64.0612 33.0763 176.6743 34 S 4.3268 7.1270 115.8717 57.9765 66.5949 177.2114 *36 E 2.6324 8.9614 117.6151 55.6229 30.6380 176.8580 37 E 4.0265 7.2701 114.9747 57.7908 29.9814 177.4292 38 T 4.2302 7.1314 108.3623 62.2742 70.0936 176.1461 39 Y 4.3741 7.3165 120.4904 61.1690 37.8175 176.7700 40 P 4.2801 0.0000 0.0000 65.5442 31.3360 178.4727 41 A 4.0887 7.9655 118.8973 54.5826 18.4824 179.7578 42 I 3.6841 7.6831 118.5430 64.6947 37.0482 178.5611 43 R 3.9417 7.7341 117.4042 59.3060 29.9989 178.2855 44 K 4.0963 8.2078 118.7147 58.9637 32.3447 177.8384 45 G 3.8586 7.7583 106.2665 46.1819 0.0000 173.7912 46 W 4.4842 7.8246 131.0533 57.2278 30.9923 176.0513 47 F 4.2346 8.0768 121.0489 58.4257 38.5959 176.2228 48 G 3.3822 4.0000 111.3545 44.5817 0.0000 172.9255 49 T 4.1383 8.3642 120.6978 63.5201 69.1892 174.9969 50 Q 4.0902 8.7645 124.9938 58.4667 29.1955 176.4167 51 K 3.9170 7.8676 119.5373 57.6376 32.3835 176.6025 52 G 3.8882 8.8466 114.3574 44.9023 0.0000 172.6183 53 L 3.8479 7.2702 123.1059 55.2498 43.1029 175.6600 54 H 4.9582 8.3467 120.6269 53.6456 32.5310 172.0213 55 L 4.4650 9.1077 124.1641 55.3065 42.5777 176.6722 56 D 5.2790 9.6015 126.3977 55.3844 43.1871 176.4101 57 S 5.4216 8.5874 110.2204 58.7823 66.2321 173.8430 58 F 5.8365 8.4832 114.7295 56.0698 41.5762 173.1621 59 V 5.0557 9.4133 118.9309 60.3510 34.8446 173.9432 60 H 4.7567 9.9098 125.4250 56.0351 30.2221 174.5985 61 L 4.7024 8.9726 128.2785 53.9924 41.6194 176.1416 62 H 4.7906 8.7712 119.3943 55.5627 30.6823 173.7824 63 H 5.2953 8.5351 116.2957 53.9879 32.5971 172.9590 64 V 4.4101 8.5109 122.2431 62.5816 34.1915 174.8792 65 D 4.5670 10.2119 127.1821 55.4486 38.5091 174.6895 66 G 3.8449 8.5973 105.7688 44.9311 0.0000 172.6340 67 Y 5.0559 8.0921 118.4328 55.9685 40.4400 175.2867 68 R 4.2513 9.4753 126.0412 56.2318 31.6618 175.0138 69 I 4.7203 8.2240 127.1041 60.5274 38.3377 174.8451 70 H 5.0180 9.4792 124.5327 53.8594 31.9141 173.1924 71 L 5.3711 8.6054 121.6869 53.2531 44.1623 175.9341 72 T 4.7716 8.7444 113.5034 59.9354 72.0161 175.5419 73 S 4.1761 8.9620 119.3396 61.4767 63.2460 175.0279 74 E 4.2664 8.0048 117.7844 55.4216 30.3388 175.9053 75 A 3.9326 7.7044 125.0916 49.8768 21.2180 175.5697 *79 P 4.2178 0.0000 0.0000 62.6408 31.2228 174.2695 80 E 4.6612 7.8942 124.8601 55.2672 33.1025 174.8463 81 E 4.1616 9.0064 124.0378 58.3468 30.4182 176.3549 82 K 4.8790 7.7806 117.3986 54.5211 34.1850 176.1675 83 R 4.6381 9.1561 122.1262 53.9703 35.0770 174.4346 84 L 4.5158 8.0793 120.7038 54.9914 43.1073 175.6646 85 Y 5.0728 9.1460 121.2913 56.1072 41.5170 174.3224 86 F 5.0568 9.4546 128.0279 57.4840 41.2179 174.3005 87 V 4.1590 8.3711 126.4458 60.9530 34.0292 173.3885 88 N 4.6656 8.0335 127.3897 52.4454 40.0695 174.9665 89 F 4.8531 8.8885 126.3348 59.3157 39.2985 175.5255 *100 E 3.8695 7.8717 117.9158 56.4252 30.2948 175.8850 101 Y 4.7821 8.1821 125.2498 56.6133 37.4353 174.0699 102 H 4.5664 8.0941 122.5576 57.2984 31.8493 175.4035 103 D 5.0192 8.1096 116.7991 54.0805 40.3622 175.6624 104 F 5.3502 7.5018 112.8982 56.6113 41.4123 172.7999 105 T 4.8495 8.8448 113.2534 60.8547 71.6000 172.0962 106 V 5.0876 8.5526 123.4822 61.2706 33.9061 174.8171 107 V 4.8673 9.0196 119.9167 59.7136 36.4917 174.2910 108 V 4.8355 8.2841 122.1556 61.4660 32.8971 174.7037 109 A 4.8126 9.1402 128.5866 51.3554 22.8162 175.8670 110 D 5.2079 9.0514 116.5993 53.5280 40.9627 177.4288 111 S 4.7044 7.6967 114.1186 55.0499 67.4801 172.9340 112 P 3.5220 0.0000 0.0000 65.8304 31.0072 179.0904 113 Q 3.9297 7.7972 116.5846 58.8414 28.7531 178.5585 114 S 4.1722 7.9519 114.6086 60.8911 63.1230 176.4388 115 A 3.8854 7.6158 124.8525 54.9082 18.0111 179.7320 116 K 3.8625 7.8888 117.0727 59.6025 31.8925 179.6667 117 Q 4.0034 7.8814 117.9240 59.0105 28.4246 178.8267 118 L 4.0248 7.7679 118.7091 57.7127 41.3991 179.1601 119 A 4.2731 8.1099 120.8798 55.1949 18.0352 179.9445 120 R 4.0900 8.2566 116.5478 59.2816 29.9179 178.9691 121 A 3.9616 7.6954 119.3938 54.5059 18.4977 178.4240 122 Q 4.1774 7.6699 114.0633 57.6061 29.3722 177.5029 123 F 4.2849 7.8389 120.4524 60.6624 39.5710 175.6925 124 S 4.2257 7.8279 109.1907 59.0201 67.2705 173.7704 *142 V 3.6990 7.5992 119.3273 62.7307 31.1762 173.6068 143 D 4.9667 8.2443 126.5699 52.3716 43.9665 174.3298 144 D 5.1042 8.1409 117.8355 52.6894 43.7834 174.3294 145 C 5.3187 8.7243 119.4863 56.2853 33.1979 172.8391 146 L 4.8766 9.3182 122.0937 53.4146 45.0136 174.8171 147 C 4.2446 8.9148 126.8992 59.2320 32.2496 173.7825 148 V 4.0456 8.2167 128.4286 60.9567 29.4754 174.1277 149 D 4.7200 8.1650 123.6042 52.1342 41.7835 176.2814 150 L 4.7930 7.6718 120.4452 52.8291 44.4632 175.4522 151 V 4.1692 8.5450 125.7443 62.2715 34.3745 174.8714 152 D 4.4943 9.6914 128.8104 55.9078 38.1388 173.4060 153 N 4.1210 8.0504 108.3712 54.2280 36.8378 174.0352 154 H 5.0449 7.8449 115.1862 54.1881 32.1991 172.6133 155 Y 4.7909 9.2016 121.2771 57.2663 39.6368 174.6597 156 V 4.6650 8.8147 124.8538 61.8442 32.6101 175.0931 157 T 4.9851 8.9714 118.2509 59.8535 72.1134 172.8111 158 L 5.4046 8.8279 122.5158 53.0358 44.6889 175.5900 159 E 4.8152 9.1596 123.6079 54.1188 32.6401 174.4798 160 F 4.4257 9.1386 130.2211 58.2796 39.6893 174.1818 161 D 4.4505 8.2566 123.5422 52.2290 40.6158 176.7299 162 G 3.5471 7.0781 107.4484 45.3003 0.0000 173.8444 163 E 3.9968 7.9641 120.3707 56.2287 30.0349 176.0556 164 Q 4.6050 8.2654 121.3789 54.3276 31.0341 174.9945 165 Q 4.4604 8.2510 120.7205 53.5198 31.8549 172.9473 166 P 4.4339 0.0000 0.0000 62.6970 32.3143 177.1009 167 L 4.5142 8.2738 124.9888 53.9488 40.4503 175.7148 168 V 4.4388 7.3396 113.0938 58.0182 35.9491 174.1479 169 P 4.5970 0.0000 0.0000 62.7856 31.6853 176.8631 170 D 4.4947 8.6246 121.9151 56.7936 41.0895 176.7577 171 W 4.7906 7.1672 126.4517 56.0442 33.4131 172.9189 172 K 3.9868 7.8824 122.3772 53.9860 36.1238 177.6760 173 G 3.6414 6.4389 107.7056 46.2156 0.0000 172.9379 174 Y 4.7988 8.4830 127.6593 56.1934 41.2599 175.0101 175 Q 4.4700 9.2291 129.5487 53.1892 31.4082 172.5054 176 P 4.4246 0.0000 0.0000 62.7395 31.9716 176.3895 177 L 3.7245 8.2070 125.3080 53.3720 42.0913 175.6123 178 P 4.3476 0.0000 0.0000 62.8004 32.0082 175.3954 179 E 4.4488 8.4587 116.8638 56.3138 30.0350 176.4171 180 G 3.7151 7.9879 113.9946 46.6083 0.0000 174.1787 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 D 8.22 4.69 0.00 2.61 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 6 N 8.77 4.77 0.00 2.62 2.62 0.00 0.00 6.99 6.73 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 7 K 9.38 4.52 0.00 1.20 0.74 0.00 1.62 0.00 0.00 1.00 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.04 1.19 7.81 8 L 8.16 4.88 0.00 1.76 1.67 1.12 0.93 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 9 F 9.36 5.51 0.00 3.02 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 10 L 9.00 4.54 0.00 1.48 1.57 0.50 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.75 4.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 12 Y 9.63 5.23 0.00 3.13 3.18 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 13 V 8.65 4.67 1.77 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 0.58 0.00 0.00 0.94 0.00 0.00 14 G 8.44 4.03 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 0.00 15 G 7.51 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 16 T 7.98 4.85 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 1.25 0.00 0.00 17 A 7.96 4.84 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.49 0.00 2.05 2.02 0.00 3.63 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 2.01 2.08 0.00 19 G 9.06 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 20 A 7.50 4.27 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 21 N 8.77 4.59 0.00 2.75 2.91 0.00 0.00 6.79 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 22 I 7.32 4.61 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 0.96 0.00 0.00 23 E 8.66 4.32 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 24 L 9.43 5.11 0.00 1.94 1.83 1.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.81 5.57 0.00 3.08 2.80 0.00 5.84 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 26 D 9.27 5.09 0.00 3.16 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 I 8.35 4.80 1.48 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 -0.05 0.00 0.00 28 R 8.87 4.64 0.00 1.63 1.79 0.00 3.31 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 29 F 8.67 5.24 0.00 2.85 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 30 V 8.99 4.81 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 0.75 0.00 0.00 1.04 0.00 0.00 31 V 8.63 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 0.55 0.00 0.00 0.94 0.00 0.00 32 G 8.69 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 0.00 0.00 0.00 33 P 0.00 5.11 0.00 2.15 2.11 0.00 3.83 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 34 S 7.13 4.33 0.00 3.83 3.17 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 *36 E 8.96 2.63 0.00 1.73 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 1.94 2.01 0.00 37 E 7.27 4.03 0.00 2.01 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 2.25 2.10 0.00 38 T 7.13 4.23 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 1.10 0.00 0.00 39 Y 7.32 4.37 0.00 2.92 2.85 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 40 P 0.00 4.28 0.00 2.16 2.10 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 41 A 7.97 4.09 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 42 I 7.68 3.68 2.02 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 1.52 1.32 0.82 0.00 0.00 43 R 7.73 3.94 0.00 1.94 2.11 0.00 3.12 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 44 K 8.21 4.10 0.00 1.93 1.87 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.41 7.81 45 G 7.76 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 0.00 0.00 0.00 46 W 7.82 4.48 0.00 3.36 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 47 F 8.08 4.23 0.00 2.96 2.88 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 48 G 4.00 3.38 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 49 T 8.36 4.14 4.40 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 1.25 0.00 0.00 50 Q 8.76 4.09 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.10 0.00 0.00 0.00 0.00 0.00 2.51 2.31 0.00 51 K 7.87 3.92 0.00 1.70 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.41 7.81 52 G 8.85 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 0.00 0.00 0.00 53 L 7.27 3.85 0.00 1.40 1.20 -0.70 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.35 4.96 0.00 2.62 2.80 0.00 5.50 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 55 L 9.11 4.47 0.00 1.85 1.77 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 56 D 9.60 5.28 0.00 2.83 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 57 S 8.59 5.42 0.00 4.05 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 58 F 8.48 5.84 0.00 3.36 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.41 5.06 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.16 0.00 0.00 60 H 9.91 4.76 0.00 3.25 3.52 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.97 4.70 0.00 1.75 1.67 1.15 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.77 4.79 0.00 3.25 3.37 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.54 5.30 0.00 3.06 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.51 4.41 2.17 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 1.19 0.00 0.00 1.02 0.00 0.00 65 D 10.21 4.57 0.00 3.07 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 66 G 8.60 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 67 Y 8.09 5.06 0.00 3.08 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 68 R 9.48 4.25 0.00 1.97 1.75 0.00 2.97 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.38 0.00 69 I 8.22 4.72 1.83 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 1.22 0.70 0.90 0.00 0.00 70 H 9.48 5.02 0.00 3.16 3.18 0.00 5.55 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 71 L 8.61 5.37 0.00 1.49 1.58 0.93 0.80 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 T 8.74 4.77 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 1.25 0.00 0.00 73 S 8.96 4.18 0.00 3.91 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 74 E 8.00 4.27 0.00 1.92 1.82 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 2.29 2.24 0.00 75 A 7.70 3.93 0.32 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 *79 P 0.00 4.22 0.00 2.20 2.13 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 80 E 7.89 4.66 0.00 1.88 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 2.37 2.30 0.00 81 E 9.01 4.16 0.00 2.20 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 0.00 2.38 2.35 0.00 82 K 7.78 4.88 0.00 1.51 1.53 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.39 7.81 83 R 9.16 4.64 0.00 1.50 1.19 0.00 3.12 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.49 0.00 84 L 8.08 4.52 0.00 1.55 1.40 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 9.15 5.07 0.00 2.88 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 86 F 9.45 5.06 0.00 3.17 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 87 V 8.37 4.16 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 0.38 0.00 0.00 0.82 0.00 0.00 88 N 8.03 4.67 0.00 2.63 2.53 0.00 0.00 6.79 7.73 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 89 F 8.89 4.85 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 *100 E 7.87 3.87 0.00 1.86 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 2.17 2.42 0.00 101 Y 8.18 4.78 0.00 2.93 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 0.00 0.00 0.00 0.00 102 H 8.09 4.57 0.00 3.39 3.30 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.11 5.02 0.00 2.98 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 0.00 104 F 7.50 5.35 0.00 2.98 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 0.00 105 T 8.84 4.85 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 1.26 0.00 0.00 106 V 8.55 5.09 2.29 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 1.03 0.00 0.00 1.41 0.00 0.00 107 V 9.02 4.87 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 0.70 0.00 0.00 1.00 0.00 0.00 108 V 8.28 4.84 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 0.14 0.00 0.00 0.89 0.00 0.00 109 A 9.14 4.81 1.20 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 0.00 110 D 9.05 5.21 0.00 2.82 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 0.00 111 S 7.70 4.70 0.00 3.90 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 0.00 112 P 0.00 3.52 0.00 2.07 2.04 0.00 3.53 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 113 Q 7.80 3.93 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 114 S 7.95 4.17 0.00 4.05 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 0.00 115 A 7.62 3.89 0.93 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 0.00 116 K 7.89 3.86 0.00 1.92 1.82 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.50 7.81 117 Q 7.88 4.00 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 118 L 7.77 4.02 0.00 1.89 1.77 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.11 4.27 1.36 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 0.00 0.00 0.00 120 R 8.26 4.09 0.00 2.10 2.04 0.00 3.28 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 121 A 7.70 3.96 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 0.00 122 Q 7.67 4.18 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 123 F 7.84 4.28 0.00 2.81 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.83 4.23 0.00 3.92 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *142 V 7.60 3.70 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 0.81 0.00 0.00 0.93 0.00 0.00 143 D 8.24 4.97 0.00 2.65 2.54 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 0.00 144 D 8.14 5.10 0.00 2.78 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.72 5.32 0.00 3.05 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 0.00 146 L 9.32 4.88 0.00 1.87 1.82 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 147 C 8.91 4.24 0.00 3.04 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.22 4.05 1.67 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 0.18 0.00 0.00 0.19 0.00 0.00 149 D 8.16 4.72 0.00 2.84 2.72 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 0.00 0.00 0.00 0.00 150 L 7.67 4.79 0.00 1.40 1.38 0.73 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.54 4.17 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 1.02 0.00 0.00 0.85 0.00 0.00 152 D 9.69 4.49 0.00 2.85 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 0.00 153 N 8.05 4.12 0.00 2.81 2.81 0.00 0.00 7.00 8.16 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 0.00 154 H 7.84 5.04 0.00 3.28 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 9.20 4.79 0.00 2.99 2.85 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 0.00 156 V 8.81 4.67 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 0.76 0.00 0.00 0.87 0.00 0.00 157 T 8.97 4.99 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 1.27 0.00 0.00 158 L 8.83 5.40 0.00 1.54 1.72 0.70 0.57 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 0.00 159 E 9.16 4.82 0.00 2.14 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 2.29 0.00 160 F 9.14 4.43 0.00 2.63 2.85 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 0.00 161 D 8.26 4.45 0.00 2.54 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 0.00 162 G 7.08 3.55 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 0.00 0.00 0.00 163 E 7.96 4.00 0.00 1.79 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 2.19 2.13 0.00 164 Q 8.27 4.61 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 165 Q 8.25 4.46 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 166 P 0.00 4.43 0.00 2.23 2.05 0.00 3.84 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 2.01 1.96 0.00 167 L 8.27 4.51 0.00 1.72 1.74 1.02 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 168 V 7.34 4.44 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 0.76 0.00 0.00 0.92 0.00 0.00 169 P 0.00 4.60 0.00 1.80 1.92 0.00 3.29 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.94 0.00 170 D 8.62 4.49 0.00 2.34 2.74 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 0.00 0.00 0.00 171 W 7.17 4.79 0.00 3.10 2.26 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 0.00 172 K 7.88 3.99 0.00 1.49 1.37 0.00 1.61 0.00 0.00 1.47 0.00 0.00 2.63 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.96 1.10 7.81 173 G 6.44 3.64 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 0.00 0.00 0.00 174 Y 8.48 4.80 0.00 2.91 2.88 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 0.00 175 Q 9.23 4.47 0.00 2.21 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 176 P 0.00 4.42 0.00 1.87 1.88 0.00 3.68 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 177 L 8.21 3.72 0.00 1.30 1.20 0.47 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.35 0.00 2.14 2.00 0.00 2.98 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 179 E 8.46 4.45 0.00 2.06 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 2.17 2.26 0.00 180 G 7.99 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.