NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.0937 8.3301 116.6538 57.8684 63.7609 173.2314 2 A 4.5191 8.2714 129.0317 50.6076 18.9180 174.4973 3 N 4.9837 8.4473 121.1056 51.2222 42.5460 173.2174 4 E 3.9817 9.0439 123.7195 58.8303 29.5651 177.3341 5 N 4.7009 8.6502 115.7874 53.6937 39.4504 175.1630 6 N 4.8162 8.3642 117.0212 53.3879 40.1167 173.8555 7 L 4.9122 9.0246 121.7859 53.2010 44.9446 175.4912 8 I 4.8504 8.7563 124.5233 59.9095 38.9947 174.5945 9 W 5.1605 9.6727 127.9667 55.1138 31.3368 175.2181 10 I 5.2796 8.7268 123.2838 59.8185 41.5209 173.8377 11 D 4.7578 9.0719 126.1806 53.1332 44.6429 174.2186 12 L 5.3484 9.2523 125.5948 53.1138 45.3221 174.7805 13 E 4.7708 8.5754 118.8176 54.9821 33.7174 177.1616 *15 T 4.3814 8.6142 109.4208 61.3006 70.5251 173.3861 16 G 4.2144 7.2617 107.7975 46.2188 0.0000 172.7672 17 L 4.3123 8.7457 117.6701 55.4803 42.0318 176.5486 18 D 4.7668 8.6269 119.8249 51.7947 41.0010 174.6315 19 P 3.1063 0.0000 0.0000 65.4047 31.3800 178.0356 20 E 4.1316 8.1119 116.0422 57.9988 29.6008 177.4295 21 R 4.4809 8.0286 116.4435 56.0044 32.1509 174.8125 22 D 5.0890 9.1883 118.2555 52.6579 43.3240 174.9384 23 R 4.4799 8.3755 118.3362 54.2424 33.8666 175.5126 24 I 4.0872 7.9650 120.6700 61.2104 37.9579 176.0619 25 I 4.6035 8.6398 116.5909 59.6459 39.6260 174.5099 26 E 5.1799 7.7525 122.9035 55.2797 33.2404 173.3056 27 I 5.1961 8.7688 124.9702 59.5522 42.0640 173.5111 28 A 5.3060 8.9314 129.6951 50.6367 22.8579 174.9409 29 T 5.3205 8.1144 110.9283 60.2988 73.0285 172.5276 30 L 5.1132 9.1218 123.1899 53.9153 46.3268 174.3749 31 V 5.2506 9.0373 124.1008 61.3556 34.5828 174.4517 32 T 5.2188 8.8777 116.8487 59.9023 72.7380 173.2834 33 D 5.5119 9.1452 121.9646 51.2898 41.0552 177.0343 34 A 4.0295 8.6210 121.2018 55.0636 18.2276 177.9974 35 N 4.7854 8.7128 112.1136 53.1652 38.5896 175.7231 36 L 3.8116 8.1751 116.2023 55.1938 39.8943 174.1761 37 N 4.5032 8.0704 117.4567 52.5873 39.1447 174.4561 38 I 4.1214 8.1795 124.4974 61.4905 37.6251 175.5480 39 L 4.3261 8.6811 126.3215 56.7291 42.4988 177.2911 40 A 4.3795 7.1516 117.9453 50.5483 22.5229 174.6853 41 E 4.6302 8.5670 120.4025 54.6760 31.6764 176.7032 42 G 2.6860 8.1279 112.6910 43.8780 0.0000 171.1250 43 P 4.4911 0.0000 0.0000 62.8795 32.9364 175.5053 44 T 4.8063 8.3087 119.0336 62.3502 69.9244 173.9924 45 I 4.5649 8.7221 127.7755 59.1970 40.4884 174.6849 46 A 4.6635 8.6065 129.0841 51.3256 19.5132 176.6636 47 V 3.9700 8.8294 124.2754 61.9164 32.8664 175.1776 48 H 4.4985 8.8732 128.2548 56.4488 30.4221 174.2094 49 Q 4.4409 7.8581 124.0194 52.8848 32.8902 175.4523 50 S 4.3265 8.2579 115.5622 58.4339 64.8965 175.2172 51 D 4.4036 8.4854 122.0801 57.2931 40.8086 178.7265 52 E 4.1014 8.0543 118.9732 59.2954 29.6537 178.6148 53 Q 3.9642 7.7753 119.6528 59.4519 28.8919 178.6559 54 L 4.0357 7.7388 118.0456 57.4306 41.6867 178.7627 55 A 4.2885 7.7730 118.9881 52.8700 19.7605 178.7482 56 L 4.2669 7.4176 119.5669 52.1768 39.5019 175.1247 *58 D 4.5008 7.3163 121.8762 52.5888 41.4760 177.1946 59 D 4.4080 8.8321 118.8172 57.6221 40.6739 179.2040 60 W 4.0266 8.3058 127.8761 60.4414 30.6722 177.6144 61 N 4.1585 9.6030 116.8818 56.4041 38.1492 177.4676 62 V 3.5457 8.0768 119.9557 66.1023 31.5218 178.3246 63 R 3.7645 7.7563 117.4613 59.4641 30.0634 179.1540 64 T 3.4652 7.1390 115.3341 66.9423 68.3979 176.5108 65 H 4.3538 8.0213 117.6068 58.3137 28.7594 178.0786 66 T 3.8935 7.7334 117.9018 66.2574 68.2051 176.7304 67 A 3.9382 7.6327 121.7371 55.1680 18.5462 179.6463 68 S 3.9526 7.5132 110.5612 59.6936 63.3793 175.5636 69 G 3.9055 7.8985 111.0846 45.3986 0.0000 175.0018 70 L 3.9166 7.6107 121.8777 58.0075 41.9519 178.9856 71 V 3.6183 7.8250 118.3612 65.9629 31.4674 177.9338 72 E 3.9706 8.0590 117.8698 59.4138 29.3942 179.3029 73 R 3.9074 7.9167 118.0664 59.0836 29.8709 179.2499 74 V 3.5596 8.0244 117.3018 66.1359 31.6856 177.8529 75 K 4.0662 7.9576 116.4494 59.3824 31.9475 178.6100 76 A 4.2107 7.7959 119.4667 52.8707 19.2058 177.9055 77 S 4.1174 7.5200 112.1703 59.1549 63.0999 174.7717 78 T 4.2467 8.1191 117.1633 59.7013 67.9530 173.1458 *80 G 3.8189 7.4968 116.3674 46.1128 0.0000 170.0910 81 D 4.3956 8.7487 117.7196 57.6860 40.6889 178.8696 82 R 3.9225 8.0254 118.0653 59.8512 30.1918 178.3182 83 E 4.1394 8.2318 117.3824 59.2868 29.5124 179.0741 84 A 4.0798 8.2250 120.9887 54.6863 18.3822 179.3790 85 E 3.8835 8.4336 118.3843 59.4366 29.7782 178.9158 86 L 3.9603 8.4161 119.2090 57.9257 41.6547 179.4667 87 A 4.0458 7.9926 120.5038 55.4525 18.1863 179.8834 88 T 3.9500 7.9516 114.2129 66.8015 68.5044 177.0361 89 L 3.7240 8.1314 121.0416 57.6510 41.3546 179.4048 90 E 3.9436 8.1393 117.8589 59.1993 29.6760 178.9370 91 F 4.4553 8.0943 120.2935 61.4575 39.4998 177.0701 92 L 3.5448 8.0732 118.7868 57.6801 41.1989 179.6780 93 K 4.3188 7.6542 118.0951 58.2135 32.0021 178.4071 94 Q 4.0623 7.6590 116.8268 56.2864 29.2448 176.2187 95 W 4.5019 8.1140 119.0638 56.4976 31.6069 175.7342 96 V 4.7534 7.4846 116.6963 60.2589 33.9429 172.7724 97 P 4.4780 0.0000 0.0000 61.9085 32.4868 175.9102 98 A 2.6213 7.9544 121.9640 52.8728 18.6617 178.4182 99 G 3.8994 8.0727 108.3788 46.2184 0.0000 174.7920 100 K 4.1778 7.5247 118.1826 57.8413 33.0800 177.0087 101 S 4.7488 7.6772 113.8001 56.2971 63.8851 172.1238 102 P 4.7537 0.0000 0.0000 62.3148 32.7895 175.1973 103 I 3.7915 7.8230 120.4958 60.6445 38.9045 174.1420 104 C 5.1815 8.8326 126.7743 56.1563 30.8400 174.7852 105 G 4.2866 7.1372 107.4842 46.2923 0.0000 170.1896 106 N 5.2557 8.5251 119.6577 52.5926 40.3017 174.4602 107 S 4.5609 9.5299 119.3582 58.5074 60.7115 173.7767 108 I 4.4728 7.3168 112.5896 61.6919 37.1073 176.6544 109 G 3.8100 8.0376 109.5988 48.2658 0.0000 175.8620 110 Q 4.1567 8.1216 121.4712 59.0034 28.7913 177.8591 111 D 4.3101 8.0402 119.6151 57.4288 40.9309 178.3786 112 R 3.8706 8.3879 119.4803 59.5250 30.1143 178.5338 113 R 4.2293 8.1201 118.0116 59.6463 30.0660 178.9841 114 F 4.2280 8.3164 117.0800 60.2590 38.7542 177.9285 115 L 4.1780 7.8947 118.0904 57.7852 41.4641 179.0127 116 F 4.2675 8.3054 117.2393 60.3884 38.9294 177.0614 117 K 4.0529 7.5731 116.6319 58.0367 32.2000 177.4302 118 Y 4.7335 7.9689 115.6925 57.4071 39.2218 174.9182 *120 P 4.4639 0.0000 0.0000 62.7487 33.4768 178.2631 121 E 3.9558 8.4824 118.4309 58.9299 29.9127 177.9791 122 L 4.1065 8.5419 120.6565 58.0949 42.3331 178.2695 123 E 3.9831 8.3579 118.6072 59.5592 29.2846 178.5930 124 A 4.1604 8.1012 118.7605 54.6888 18.7887 178.5245 125 Y 3.8120 8.1809 118.1386 59.0435 38.8325 175.5909 126 F 4.8770 7.3388 117.5310 56.3458 39.9916 175.1364 127 H 4.3017 9.2372 123.8335 56.0604 30.1679 176.1646 128 Y 3.8908 7.8074 121.7601 59.3820 38.3710 176.5846 129 R 4.5266 7.1829 119.9633 56.1824 31.8319 174.7814 130 Y 4.7355 8.6889 117.6196 56.2464 40.7430 176.2458 131 L 4.5949 8.7651 125.9833 53.1077 42.4352 172.5694 132 D 4.9222 8.0370 120.6573 52.4856 42.2242 176.8174 133 V 3.8166 9.0167 127.5480 66.1949 31.5534 177.8860 134 S 4.3311 8.7719 114.7873 61.1721 62.6673 176.6700 135 T 3.8732 7.9666 119.3178 66.5018 68.1239 176.7378 136 L 3.9414 7.7077 120.5249 57.3542 41.6421 179.1899 137 K 3.7091 7.8226 121.0422 58.7666 32.0076 178.4547 138 E 3.7822 8.0212 119.5552 59.2152 29.4823 178.8735 139 L 3.2485 7.5248 118.3964 57.3963 41.5389 179.2436 140 A 3.1453 7.7250 121.1079 54.8842 17.9248 179.6799 141 R 3.7358 7.7124 116.2436 59.2736 30.1823 178.3423 142 R 4.2718 7.3240 116.6272 57.1537 30.5124 177.7100 143 W 5.0516 8.2573 116.8133 56.4743 32.1094 176.4433 144 K 4.9507 8.6503 119.0420 54.1286 33.1103 174.3661 145 P 4.2584 0.0000 0.0000 65.9571 31.3226 178.0281 146 E 4.0125 8.3597 118.4546 59.5668 29.2965 179.1200 147 I 4.0379 7.6427 112.1276 63.4655 37.6526 178.1707 148 L 4.0766 7.9529 121.5658 58.0727 41.2277 179.0224 149 D 4.5589 7.7416 116.4371 57.0215 40.8144 178.3324 150 G 4.1892 7.7489 105.3152 44.2562 0.0000 173.0983 151 F 4.5682 7.3418 122.0272 56.4447 42.2857 174.0107 152 T 4.4244 6.7139 121.4755 61.9768 72.3814 173.1622 153 K 4.5702 7.9705 123.2935 54.5004 34.7517 176.7146 154 Q 3.8708 8.8734 122.8709 57.5257 28.8320 175.7400 155 G 3.8839 9.5869 108.9232 46.1555 0.0000 172.4097 156 T 4.5171 7.9241 119.2928 63.2962 72.6376 173.0166 157 H 4.7342 8.4506 117.6033 56.2085 29.7926 175.4800 158 Q 4.1709 7.8536 119.8094 54.9453 28.8341 176.9287 159 A 4.1638 8.6530 126.0401 53.0124 18.6192 178.5486 *161 D 4.5776 8.2027 121.0582 56.0833 43.1605 178.0103 162 D 4.3666 7.8960 118.6610 57.4494 40.7456 178.9010 163 I 3.8308 7.9218 120.3290 64.4392 37.0205 178.6993 164 R 3.7740 7.8885 118.4549 59.2936 29.8260 178.8263 165 E 4.0278 8.2305 118.3510 59.2072 29.4045 179.5961 166 S 4.2773 7.9808 115.5747 61.4364 62.8855 176.7092 167 V 2.6415 7.4765 120.6173 65.6249 31.1482 177.6880 168 A 3.9287 7.9692 120.6168 55.2350 18.2260 178.9996 169 E 2.5400 8.2894 117.8966 59.0731 29.5592 178.8886 170 L 4.0854 7.8867 119.8953 58.0991 42.0357 178.7837 171 A 4.0027 8.0744 120.9642 55.0831 18.2479 178.9257 172 Y 3.8676 8.0883 118.4737 61.1871 38.6269 178.0881 173 Y 4.5432 7.7907 117.6046 61.1768 37.7391 178.4566 174 R 3.9722 8.1941 119.0073 59.1461 30.1894 177.6517 175 E 4.1255 7.7356 118.0018 58.0476 29.9491 176.9919 176 H 4.8951 8.0943 113.1084 55.3807 30.0195 174.4941 177 F 5.2353 8.8259 120.6965 57.3764 40.7628 174.2079 178 I 4.5647 7.6092 118.9144 59.9889 40.3508 174.7008 179 K 4.3610 8.3463 122.8475 54.9189 33.1715 177.0328 180 L 4.1357 8.6964 122.2154 55.4836 41.5264 177.1339 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 4.09 0.00 3.75 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 2 A 8.27 4.52 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.45 4.98 0.00 2.71 2.84 0.00 0.00 6.94 7.65 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 4 E 9.04 3.98 0.00 2.10 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 0.00 2.28 2.35 0.00 5 N 8.65 4.70 0.00 2.85 2.93 0.00 0.00 7.00 7.76 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 6 N 8.36 4.82 0.00 2.85 2.93 0.00 0.00 6.72 6.53 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 7 L 9.02 4.91 0.00 1.93 1.56 1.13 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.76 4.85 2.06 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.00 1.00 0.00 0.00 9 W 9.67 5.16 0.00 3.43 3.27 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 10 I 8.73 5.28 2.12 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.13 0.91 0.00 0.00 11 D 9.07 4.76 0.00 2.90 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 12 L 9.25 5.35 0.00 1.47 1.60 1.04 0.91 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 13 E 8.58 4.77 0.00 1.77 1.68 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 2.30 2.35 0.00 *15 T 8.61 4.38 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 16 G 7.26 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.75 4.31 0.00 1.72 1.82 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.63 4.77 0.00 2.74 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 19 P 0.00 3.11 0.00 1.79 1.49 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.40 0.00 20 E 8.11 4.13 0.00 2.08 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 2.27 2.16 0.00 21 R 8.03 4.48 0.00 1.78 1.97 0.00 3.24 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 22 D 9.19 5.09 0.00 3.15 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 23 R 8.38 4.48 0.00 1.64 1.54 0.00 2.57 0.00 0.00 2.64 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 24 I 7.96 4.09 1.87 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 1.58 0.70 0.99 0.00 0.00 25 I 8.64 4.60 1.77 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.30 0.83 0.00 0.00 26 E 7.75 5.18 0.00 1.97 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 0.00 2.26 2.37 0.00 27 I 8.77 5.20 1.90 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 1.21 1.55 0.99 0.00 0.00 28 A 8.93 5.31 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 29 T 8.11 5.32 4.48 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 1.35 0.00 0.00 30 L 9.12 5.11 0.00 1.70 1.57 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.04 5.25 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.91 0.00 0.00 32 T 8.88 5.22 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 33 D 9.15 5.51 0.00 2.97 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 34 A 8.62 4.03 1.35 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 0.00 0.00 0.00 35 N 8.71 4.79 0.00 2.80 2.86 0.00 0.00 7.08 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 36 L 8.18 3.81 0.00 1.82 1.79 1.00 1.16 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 37 N 8.07 4.50 0.00 2.94 2.73 0.00 0.00 7.07 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 38 I 8.18 4.12 1.77 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 1.21 0.31 0.78 0.00 0.00 39 L 8.68 4.33 0.00 1.09 1.40 1.13 0.85 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 40 A 7.15 4.38 0.19 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 0.00 0.00 41 E 8.57 4.63 0.00 1.70 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 0.00 2.11 2.17 0.00 42 G 8.13 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 0.00 0.00 0.00 43 P 0.00 4.49 0.00 2.06 2.09 0.00 3.24 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 1.98 1.94 0.00 44 T 8.31 4.81 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 1.19 0.00 0.00 45 I 8.72 4.56 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 1.14 0.95 0.91 0.00 0.00 46 A 8.61 4.66 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 47 V 8.83 3.97 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 66 T 7.73 3.89 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 1.17 0.00 0.00 67 A 7.63 3.94 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 68 S 7.51 3.95 0.00 3.80 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 69 G 7.90 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 0.00 0.00 0.00 70 L 7.61 3.92 0.00 1.67 1.80 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.83 3.62 2.05 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 0.96 0.00 0.00 0.91 0.00 0.00 72 E 8.06 3.97 0.00 2.15 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 0.00 2.37 2.32 0.00 73 R 7.92 3.91 0.00 2.03 1.96 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 74 V 8.02 3.56 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 0.81 0.00 0.00 0.93 0.00 0.00 75 K 7.96 4.07 0.00 1.90 1.88 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.75 7.81 76 A 7.80 4.21 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 77 S 7.52 4.12 0.00 3.98 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 78 T 8.12 4.25 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 *80 G 7.50 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 0.00 0.00 0.00 81 D 8.75 4.40 0.00 2.78 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 82 R 8.03 3.92 0.00 1.96 1.97 0.00 3.36 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 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 0.00 126 F 7.34 4.88 0.00 3.10 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 0.00 127 H 9.24 4.30 0.00 3.17 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.81 3.89 0.00 3.11 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 0.00 129 R 7.18 4.53 0.00 1.53 1.87 0.00 2.80 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.01 0.00 130 Y 8.69 4.74 0.00 2.69 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 0.00 131 L 8.77 4.59 0.00 1.59 1.40 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.04 4.92 0.00 2.82 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.02 3.82 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 1.28 0.00 0.00 1.28 0.00 0.00 134 S 8.77 4.33 0.00 4.11 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 0.00 135 T 7.97 3.87 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 1.16 0.00 0.00 136 L 7.71 3.94 0.00 1.77 1.11 1.13 0.96 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 0.00 137 K 7.82 3.71 0.00 2.17 1.96 0.00 1.74 0.00 0.00 1.95 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.38 7.81 138 E 8.02 3.78 0.00 2.19 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 2.20 2.23 0.00 139 L 7.52 3.25 0.00 1.81 1.22 0.83 -0.16 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 0.00 140 A 7.72 3.15 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.71 3.74 0.00 1.82 2.03 0.00 3.23 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 142 R 7.32 4.27 0.00 1.35 1.92 0.00 2.90 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 143 W 8.26 5.05 0.00 3.62 3.13 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 0.00 144 K 8.65 4.95 0.00 2.05 1.75 0.00 2.01 0.00 0.00 2.11 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.56 7.81 145 P 0.00 4.26 0.00 2.32 2.50 0.00 3.84 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 2.11 2.11 0.00 146 E 8.36 4.01 0.00 2.12 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 2.44 2.49 0.00 147 I 7.64 4.04 2.07 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 1.76 1.26 0.99 0.00 0.00 148 L 7.95 4.08 0.00 2.09 1.79 0.92 0.77 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 0.00 149 D 7.74 4.56 0.00 2.73 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 0.00 150 G 7.75 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 0.00 0.00 0.00 151 F 7.34 4.57 0.00 1.51 2.36 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 0.00 152 T 6.71 4.42 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 1.06 0.00 0.00 153 K 7.97 4.57 0.00 1.66 1.69 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.32 1.43 7.81 154 Q 8.87 3.87 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 155 G 9.59 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 0.00 0.00 0.00 156 T 7.92 4.52 4.22 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 1.22 0.00 0.00 157 H 8.45 4.73 0.00 3.11 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 Q 7.85 4.17 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.12 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 159 A 8.65 4.16 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 *161 D 8.20 4.58 0.00 3.00 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 0.00 162 D 7.90 4.37 0.00 2.91 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 0.00 163 I 7.92 3.83 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.95 1.04 0.00 0.00 164 R 7.89 3.77 0.00 1.92 1.90 0.00 3.07 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 165 E 8.23 4.03 0.00 2.21 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 2.30 2.52 0.00 166 S 7.98 4.28 0.00 4.22 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 V 7.48 2.64 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 0.62 0.00 0.00 -0.38 0.00 0.00 168 A 7.97 3.93 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 E 8.29 2.54 0.00 1.77 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 1.52 1.47 0.00 170 L 7.89 4.09 0.00 2.11 1.98 1.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.07 4.00 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 0.00 172 Y 8.09 3.87 0.00 2.83 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 0.00 0.00 0.00 0.00 173 Y 7.79 4.54 0.00 3.34 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 0.00 174 R 8.19 3.97 0.00 1.97 2.19 0.00 3.28 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 175 E 7.74 4.13 0.00 1.84 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 1.98 2.22 0.00 176 H 8.09 4.90 0.00 2.92 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 F 8.83 5.24 0.00 2.86 3.22 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 0.00 178 I 7.61 4.56 2.11 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.15 0.91 0.00 0.00 179 K 8.35 4.36 0.00 1.71 1.72 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.39 7.81 180 L 8.70 4.14 0.00 1.62 1.62 0.92 0.86 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 * Residues marked with a * may have inaccurate shift predictions.