NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3104 8.2649 123.5825 52.1033 19.9466 175.9672 3 Q 4.4453 8.2708 118.8587 53.8119 30.6785 174.1448 4 I 4.0085 8.8242 122.9767 61.1525 38.9587 176.2532 5 T 4.2798 8.1776 121.5730 62.0327 67.4684 174.8551 6 L 4.1237 8.1450 126.1376 54.4678 42.4137 176.9597 7 R 4.4121 8.2541 121.0355 54.3909 30.7175 176.5265 8 G 3.8056 8.4232 114.5531 45.3962 0.0000 172.4823 9 N 4.5281 8.7434 119.5474 56.2824 40.1674 175.0257 10 A 4.6099 7.8766 119.7290 51.7476 19.3774 177.1029 11 I 4.0823 8.2240 123.7126 60.5855 38.4404 175.1441 12 N 4.9251 8.7825 125.3118 52.1879 41.3629 173.4918 13 T 4.9073 8.3141 116.5150 60.0833 71.0403 175.3229 14 V 3.8184 8.6688 114.6129 63.2579 31.9809 176.7349 15 G 4.0020 7.1011 106.3415 45.5364 0.0000 172.0679 16 E 4.5803 8.2431 118.4736 54.2943 31.4094 175.8535 17 L 4.6989 8.3709 121.7129 53.2644 42.4282 175.3709 18 P 4.2034 0.0000 0.0000 62.2288 32.0384 176.2686 19 A 4.0171 8.2881 123.8707 51.9014 18.9873 177.1941 20 V 3.8704 8.1115 122.4850 64.2280 32.0609 176.2445 21 G 4.0318 9.3784 116.7013 44.8182 0.0000 173.3527 22 S 4.8140 7.5261 114.0044 55.7985 65.8676 172.0615 23 P 4.9544 0.0000 0.0000 62.1286 31.6405 176.2987 24 A 4.2030 8.6950 126.6361 51.0739 18.9848 175.8970 25 P 4.1745 0.0000 0.0000 62.3142 32.0320 176.5471 26 A 4.2211 8.3755 124.7734 52.5251 19.2332 176.5447 27 F 5.2803 8.3523 114.3352 55.9927 41.9722 173.7025 28 T 5.3562 8.6231 109.6134 60.3175 68.8220 173.1691 29 L 4.7054 9.3541 131.9138 55.2185 44.4399 174.9893 30 T 4.9807 8.7466 116.5089 62.1069 71.2198 175.3514 31 G 4.1960 8.7638 113.8688 44.5951 0.0000 174.7762 32 G 3.7208 8.8499 108.2946 47.8644 0.0000 174.0878 33 D 4.7039 8.0303 117.2470 52.7227 39.5954 176.6962 34 L 3.6912 8.1066 117.5358 55.7450 39.9450 174.9277 35 G 3.9832 8.0708 109.5925 44.6618 0.0000 172.6680 36 V 4.7756 8.0496 118.2918 61.4351 33.5637 176.1863 37 I 4.4559 8.7882 128.2160 59.8961 38.9506 174.2787 38 S 5.1729 8.6376 122.4595 56.5359 64.0409 175.2983 39 S 3.8428 8.3015 120.6289 60.9330 62.9898 176.3506 40 D 4.3844 7.7331 121.4218 57.0321 40.6494 178.4059 41 Q 3.8644 7.7582 117.2843 57.8425 28.8621 176.9753 42 F 4.8123 7.7961 116.2819 56.8191 39.3583 175.2719 43 R 4.1174 7.4875 121.3612 57.9074 30.0833 177.1391 44 G 4.0190 9.0112 111.9333 45.4908 0.0000 173.0156 45 K 4.8966 7.9265 119.2230 54.1428 35.8079 175.8993 46 S 4.6442 8.6266 118.0416 58.3931 64.9414 173.0371 47 V 4.5893 8.9681 121.7618 61.1180 35.0750 173.6651 48 L 4.8906 8.9503 130.2048 53.4872 44.0951 175.0532 49 L 4.7146 9.0841 128.3743 53.6485 42.9691 175.6292 50 N 5.1132 9.1252 125.2239 52.1908 39.9039 173.7421 51 I 4.7209 8.2998 128.1031 59.8059 39.2298 175.2474 52 F 5.1211 9.0731 124.8319 55.0669 42.2960 173.6189 53 P 4.9894 0.0000 0.0000 65.2263 31.5082 177.0932 54 S 4.6768 7.5486 108.4948 57.6865 64.8579 174.3602 55 V 3.4141 8.7886 119.5434 60.9353 31.7815 176.6979 56 D 4.6454 7.4954 122.5378 52.3405 39.3423 174.8225 57 T 4.6535 7.4017 114.7641 59.6007 70.5744 171.7650 58 P 4.4228 0.0000 0.0000 64.5953 31.8115 177.0408 59 V 4.1721 7.8451 120.2242 60.7586 32.6012 182.4154 *60 C 4.7913 8.1458 120.8094 53.5084 28.6755 169.5818 61 A 4.0336 8.1525 126.4914 52.7402 18.9858 179.2522 62 T 3.8731 8.7979 119.2346 66.7699 68.5381 176.8358 63 S 4.0941 8.0839 115.6868 61.4234 62.7937 176.8031 64 V 3.5537 7.8536 121.7120 65.6017 31.3124 177.9113 65 R 3.7721 7.8388 117.8872 59.7526 29.8859 178.1892 66 T 3.7997 8.3102 115.7029 66.6417 68.3933 176.1962 67 F 4.1434 7.8361 121.9429 61.5781 39.3720 176.8516 68 D 4.0671 8.3401 118.6439 57.3141 40.4912 178.7939 69 E 3.9106 8.4032 119.4147 59.3464 29.4975 179.5625 70 R 3.8321 8.1789 118.1659 59.0249 29.9930 178.9127 71 A 3.7802 7.9211 120.5982 55.1776 18.3613 179.6304 72 A 4.2531 8.2568 120.3203 54.6715 18.1608 179.7395 73 A 4.0006 7.8882 119.0812 54.9877 18.5385 179.3673 74 S 4.3062 7.7931 110.9364 59.5687 63.2323 175.1998 75 G 3.9042 7.9448 110.9936 45.0997 0.0000 173.1704 76 A 4.8936 7.5777 121.0830 50.2673 21.1810 176.9958 77 T 4.4558 8.6327 117.0247 62.6938 70.3838 174.0995 78 V 4.5697 8.8537 126.8677 61.5162 33.5208 174.2111 79 L 5.9370 8.3993 130.0564 52.6610 45.4744 174.8392 *81 V 4.6789 8.4757 119.2230 64.0877 32.9758 176.0320 82 S 4.9941 8.0265 120.1689 57.6495 66.3120 174.7101 83 K 4.4118 8.6240 117.5409 56.7045 32.1777 177.4784 84 D 4.4762 7.5597 119.2566 54.0009 41.4789 176.4435 85 L 3.9090 8.0494 121.5432 53.6826 42.6617 176.3918 86 P 4.0938 0.0000 0.0000 65.8190 31.4443 178.8747 87 F 4.2444 6.9313 115.1505 60.4243 38.9259 176.0217 88 A 4.3864 8.0207 121.4253 52.9888 18.9385 178.5296 89 Q 4.0794 7.8481 114.8138 57.1702 29.1075 177.7962 90 K 4.1917 8.0808 118.5884 58.4995 32.2591 178.3757 91 R 4.2579 7.3885 116.2950 56.8671 29.8737 181.8805 92 F 4.6304 7.9954 118.8869 60.0477 41.7522 175.1956 93 C 3.3875 7.2529 119.9116 58.5257 29.4204 174.5618 *100 N 4.6837 8.7862 128.2901 54.0820 39.9777 173.6717 101 V 4.9916 7.9835 118.2982 61.3662 34.1747 174.2736 102 M 5.0654 9.1018 125.0539 53.0179 34.9304 172.6935 103 P 4.8971 0.0000 0.0000 62.7435 33.1300 175.2139 104 A 4.6558 8.1991 121.7045 50.5613 22.8719 174.6375 105 S 5.0562 9.1356 116.8840 56.2921 64.4257 174.2030 106 A 5.6243 8.9143 128.6032 51.2619 18.9559 178.9705 107 F 4.4120 8.1228 116.3433 60.4035 37.8251 175.9864 108 R 4.4222 6.9064 116.8284 55.0749 29.8433 173.9777 109 D 4.7559 7.6860 116.4432 52.1939 42.8078 175.1932 110 S 4.7215 8.5139 113.0661 57.7600 63.0432 175.1703 111 F 4.1824 8.8965 126.9745 62.1720 38.9272 177.4964 112 G 4.2400 8.3122 105.6951 47.3634 0.0000 175.1944 113 E 4.0389 8.1121 120.1235 59.0703 29.5702 178.7715 114 D 4.3502 8.2975 118.2047 57.0412 41.3084 176.7730 115 Y 3.8635 8.2319 115.0465 56.8145 38.1255 176.0522 116 G 4.2377 7.5219 106.6978 46.2279 0.0000 174.8473 117 V 4.3654 7.7907 111.5737 60.8578 33.9184 176.2186 118 T 4.4334 7.8122 119.0501 63.4660 69.6063 173.7133 119 I 4.1726 9.0280 127.9529 61.5582 37.6106 176.8185 120 A 4.3673 9.0666 129.2585 53.5301 19.6612 176.2832 121 D 4.4810 7.7838 112.7268 52.8058 42.7380 174.8859 122 G 3.9292 8.6136 106.7545 43.9900 0.0000 172.4122 123 P 4.2815 0.0000 0.0000 65.4394 31.3230 177.0124 124 M 4.3912 7.9268 117.0232 54.6323 32.1884 175.2530 125 A 4.3406 7.5374 122.5313 54.1866 18.7892 178.5696 126 G 4.0314 9.1485 111.2197 45.1248 0.0000 173.8500 127 L 4.5266 7.6308 119.4156 53.8441 43.9657 175.8012 128 L 4.9253 8.2850 119.7362 53.9254 43.1663 176.7421 129 A 4.5067 8.8537 125.5314 51.3774 19.7754 177.3487 130 R 4.0575 8.4840 120.2273 56.8988 31.1481 175.3564 131 A 4.9334 8.3736 126.2106 51.3375 23.6867 174.7153 132 I 5.0684 8.7021 119.5506 59.6185 41.4235 175.0114 133 V 4.9669 8.9210 126.0013 61.1395 34.8884 174.0037 134 V 4.8980 9.1646 128.1684 61.3169 33.8945 174.0571 135 I 4.8507 8.9627 129.3327 59.4155 39.2848 175.9372 136 G 4.1778 9.2080 114.8616 45.0171 0.0000 174.4547 137 A 4.3581 8.8236 123.2717 54.1799 18.4169 178.6349 138 D 4.5215 8.0635 113.0927 53.8938 40.0113 177.3438 139 G 4.0059 8.7739 110.3816 45.4398 0.0000 173.2546 140 N 5.1019 8.3149 117.4226 51.7337 40.1998 174.4703 141 V 3.8910 9.0063 121.8129 63.4716 31.8844 176.3154 142 A 4.7634 9.2215 129.7593 53.2601 20.5213 176.2814 143 Y 4.7535 7.5998 113.4285 57.1955 42.0168 173.1519 144 T 5.0578 7.5135 114.4583 60.2309 72.5634 172.9744 145 E 4.2724 8.8950 124.0506 55.1457 33.2534 173.4091 146 L 4.6661 8.3302 130.0205 53.0168 43.2911 175.9719 147 V 3.6684 8.0258 127.6420 62.6748 31.3999 174.3855 148 P 4.4583 0.0000 0.0000 65.0896 32.1710 175.8100 149 E 5.2482 7.9359 118.5535 54.0286 33.3854 176.7849 150 I 3.6887 8.3805 115.7803 63.1974 38.0336 177.2264 151 A 4.6780 7.8347 123.4948 51.5052 19.5133 175.6478 152 Q 4.5189 7.4218 120.1396 55.7940 30.6825 174.6438 153 E 4.2781 8.3717 125.2328 54.4197 30.7446 174.3681 154 P 4.1876 0.0000 0.0000 62.4413 31.9505 177.2138 155 N 4.4453 9.1362 120.1930 52.8713 37.3016 175.2390 156 Y 3.8255 7.5355 124.0684 60.1667 38.2257 177.2361 157 E 3.9561 8.2529 119.7381 59.3132 29.8674 178.6249 158 A 3.9068 8.3568 120.5498 54.9963 18.3546 179.4379 159 A 2.8627 7.4131 119.3737 54.9906 18.4577 179.9108 160 L 3.9902 8.2287 117.3201 57.8157 41.6295 179.6153 161 A 4.0550 8.0445 120.6945 55.0200 18.0651 179.5924 162 A 3.9900 7.6978 118.5674 55.0550 18.8061 179.6045 163 L 4.1895 8.2685 118.1589 58.0290 41.5407 179.9975 164 G 3.6620 8.4076 104.3634 47.6362 0.0000 175.1168 165 A 4.3355 7.6863 121.3876 53.7200 18.7246 177.9200 166 T 4.6012 7.5945 107.1695 61.0450 69.6389 174.2107 167 S 4.2554 8.4793 121.9328 59.6714 62.2460 173.8315 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 2 A 8.26 4.31 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 3 Q 8.27 4.45 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 4 I 8.82 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.48 0.91 0.00 0.00 5 T 8.18 4.28 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 6 L 8.14 4.12 0.00 1.63 1.60 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.25 4.41 0.00 1.76 1.84 0.00 3.24 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 8 G 8.42 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.74 4.53 0.00 2.82 2.81 0.00 0.00 6.87 8.70 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 10 A 7.88 4.61 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 11 I 8.22 4.08 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.02 0.89 0.00 0.00 12 N 8.78 4.93 0.00 2.74 2.79 0.00 0.00 6.88 7.22 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 13 T 8.31 4.91 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 1.24 0.00 0.00 14 V 8.67 3.82 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.96 0.00 0.00 15 G 7.10 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 16 E 8.24 4.58 0.00 1.94 1.80 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 2.28 2.21 0.00 17 L 8.37 4.70 0.00 1.57 1.55 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.20 0.00 2.02 1.69 0.00 3.72 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.59 0.00 19 A 8.29 4.02 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 20 V 8.11 3.87 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 0.89 0.00 0.00 0.89 0.00 0.00 21 G 9.38 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 22 S 7.53 4.81 0.00 3.85 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 23 P 0.00 4.95 0.00 1.95 2.04 0.00 3.71 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 24 A 8.70 4.20 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 25 P 0.00 4.17 0.00 1.64 1.82 0.00 3.14 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.80 0.00 26 A 8.38 4.22 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 27 F 8.35 5.28 0.00 3.36 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.62 5.36 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 29 L 9.35 4.71 0.00 1.66 1.56 0.12 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.75 4.98 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 1.33 0.00 0.00 31 G 8.76 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.85 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 33 D 8.03 4.70 0.00 2.82 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 34 L 8.11 3.69 0.00 1.89 1.92 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.07 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 36 V 8.05 4.78 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 0.97 0.00 0.00 0.94 0.00 0.00 37 I 8.79 4.46 2.01 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 1.22 0.62 1.29 0.00 0.00 38 S 8.64 5.17 0.00 3.90 3.66 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 39 S 8.30 3.84 0.00 3.56 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 40 D 7.73 4.38 0.00 2.64 2.70 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 0.00 0.00 0.00 41 Q 7.76 3.86 0.00 1.40 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.31 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 42 F 7.80 4.81 0.00 3.26 3.09 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 43 R 7.49 4.12 0.00 1.85 1.83 0.00 3.32 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 44 G 9.01 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 0.00 0.00 0.00 45 K 7.93 4.90 0.00 2.00 1.78 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.58 7.81 46 S 8.63 4.64 0.00 3.92 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 0.00 47 V 8.97 4.59 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 0.61 0.00 0.00 0.92 0.00 0.00 48 L 8.95 4.89 0.00 1.72 1.44 1.13 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.08 4.71 0.00 1.69 1.52 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 50 N 9.13 5.11 0.00 2.88 3.08 0.00 0.00 7.17 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.30 4.72 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.97 0.00 0.00 52 F 9.07 5.12 0.00 2.63 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 53 P 0.00 4.99 0.00 2.07 2.13 0.00 3.89 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 54 S 7.55 4.68 0.00 3.75 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.00 0.00 0.00 0.00 0.00 64 V 7.85 3.55 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.27 0.00 0.00 65 R 7.84 3.77 0.00 1.84 1.84 0.00 3.48 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 66 T 8.31 3.80 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 1.20 0.00 0.00 67 F 7.84 4.14 0.00 2.35 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 68 D 8.34 4.07 0.00 2.81 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 69 E 8.40 3.91 0.00 2.12 1.94 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 2.27 2.45 0.00 70 R 8.18 3.83 0.00 1.89 1.94 0.00 3.18 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 71 A 7.92 3.78 0.91 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 *81 V 8.48 4.68 1.73 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 -0.14 0.00 0.00 0.40 0.00 0.00 82 S 8.03 4.99 0.00 3.95 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.62 4.41 0.00 1.79 1.93 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.63 7.81 84 D 7.56 4.48 0.00 2.60 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 85 L 8.05 3.91 0.00 1.54 0.95 0.89 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.09 0.00 1.57 2.07 0.00 2.67 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.05 0.00 87 F 6.93 4.24 0.00 3.02 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 88 A 8.02 4.39 1.33 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 89 Q 7.85 4.08 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 90 K 8.08 4.19 0.00 1.77 1.88 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.46 7.81 91 R 7.39 4.26 0.00 1.95 1.83 0.00 3.26 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 92 F 8.00 4.63 0.00 2.89 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 93 C 7.25 3.39 0.00 2.48 2.28 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 0.00 *100 N 8.79 4.68 0.00 2.68 2.90 0.00 0.00 6.21 7.68 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 0.00 101 V 7.98 4.99 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 0.83 0.00 0.00 0.89 0.00 0.00 102 M 9.10 5.07 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 103 P 0.00 4.90 0.00 2.22 2.10 0.00 3.75 0.00 0.00 3.68 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 0.00 137 A 8.82 4.36 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 0.00 138 D 8.06 4.52 0.00 2.80 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 0.00 139 G 8.77 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 0.00 140 N 8.31 5.10 0.00 2.90 2.76 0.00 0.00 6.52 7.25 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 0.00 141 V 9.01 3.89 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 0.98 0.00 0.00 1.00 0.00 0.00 142 A 9.22 4.76 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 0.00 143 Y 7.60 4.75 0.00 3.01 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 0.00 144 T 7.51 5.06 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 1.22 0.00 0.00 145 E 8.89 4.27 0.00 1.94 1.78 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 2.12 2.18 0.00 146 L 8.33 4.67 0.00 1.61 1.51 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.03 3.67 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 0.87 0.00 0.00 0.84 0.00 0.00 148 P 0.00 4.46 0.00 2.12 2.26 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.96 0.00 149 E 7.94 5.25 0.00 1.87 1.81 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 2.26 2.24 0.00 150 I 8.38 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.52 1.00 0.00 0.00 151 A 7.83 4.68 1.28 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 0.00 0.00 0.00 152 Q 7.42 4.52 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 153 E 8.37 4.28 0.00 1.94 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 2.28 2.37 0.00 154 P 0.00 4.19 0.00 0.92 1.57 0.00 3.03 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 1.73 1.82 0.00 155 N 9.14 4.45 0.00 2.65 2.73 0.00 0.00 7.45 7.60 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 0.00 156 Y 7.54 3.83 0.00 2.95 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 0.00 157 E 8.25 3.96 0.00 2.07 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 2.39 2.40 0.00 158 A 8.36 3.91 1.39 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 0.00 0.00 0.00 159 A 7.41 2.86 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 0.00 160 L 8.23 3.99 0.00 1.94 1.77 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.04 4.05 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 0.00 162 A 7.70 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.27 4.19 0.00 1.85 1.71 0.87 0.72 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 0.00 164 G 8.41 3.66 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 0.00 0.00 0.00 165 A 7.69 4.34 1.39 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 0.00 0.00 0.00 166 T 7.59 4.60 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 1.25 0.00 0.00 167 S 8.48 4.26 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.