NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4310 8.3049 120.6095 55.2427 33.5007 174.8428 2 T 3.7298 8.5014 124.2010 62.5197 69.4388 170.2798 3 E 4.8197 8.9891 127.1272 55.3451 32.9117 176.0330 4 Y 5.0512 7.7608 111.6204 58.3476 40.2190 173.8075 5 K 5.3443 8.0123 121.4996 56.0654 31.0087 177.3342 6 L 4.7007 7.7753 131.6139 55.1846 42.2680 175.9063 7 V 3.7776 7.2337 123.9410 63.8807 34.9889 170.7269 8 V 4.6127 7.6112 120.7610 61.0051 34.5750 175.2409 9 V 4.2342 8.4838 129.2474 63.9886 32.4426 174.1951 10 G 4.1535 7.9202 107.6904 46.0827 0.0000 171.1155 11 A 5.5358 7.8148 121.0359 49.5787 20.9596 176.4624 12 P 4.7563 0.0000 0.0000 59.7118 29.8772 175.3124 13 G 3.1887 7.0342 108.1527 45.8328 0.0000 172.9835 14 V 4.3054 8.5232 113.3014 60.1160 34.7563 176.6241 15 G 3.7932 8.0388 112.5737 46.7001 0.0000 173.0839 *16 K 4.1758 7.9874 122.0863 54.7297 33.5074 175.1891 17 S 4.6463 8.3258 115.1377 58.7486 64.8195 175.9524 18 A 3.8741 9.0835 122.7643 54.5965 18.1530 179.5410 19 L 3.9966 8.0299 118.7371 59.1110 40.4898 178.7912 20 T 4.2875 7.5150 108.2926 62.7290 69.0538 176.5260 21 I 3.8277 7.8905 123.8473 63.8157 36.9679 176.8347 22 Q 5.1324 7.4659 118.4363 55.2220 27.8789 175.9989 23 L 4.7096 7.1777 116.8774 54.9571 49.8100 176.6224 24 I 3.8112 8.2433 115.9452 64.4659 37.7929 177.8182 25 Q 3.9317 7.8193 119.1160 55.6629 29.5399 174.5791 26 N 4.1267 9.2382 113.9414 52.3381 35.8880 171.0149 27 H 4.4831 8.1990 115.6370 55.3223 32.3005 173.0575 28 F 5.0290 8.7191 121.4695 56.3759 40.9171 175.1878 29 V 3.6680 7.7600 126.4385 61.8866 32.7605 176.4032 *30 D 4.4493 8.1564 119.3303 53.0647 41.4749 175.2907 31 E 3.9669 8.1407 119.0322 57.2514 30.6562 171.5134 32 Y 3.5841 8.5804 125.8394 57.3800 37.5464 168.1853 33 D 4.3096 8.0026 126.5540 52.9761 42.0764 174.1934 34 P 4.0961 0.0000 0.0000 62.1643 33.3298 173.4478 35 T 3.6267 8.4721 111.4230 60.8596 69.7703 170.8679 36 I 4.7364 7.9232 122.9995 61.5710 45.1557 175.0864 37 E 4.8788 8.5890 123.2949 54.6477 30.2201 177.4830 38 D 4.6853 7.9811 120.1967 53.8012 39.9363 177.1057 39 S 4.1479 7.9969 119.9802 57.6661 64.8291 173.1758 40 Y 4.5809 6.9412 114.3975 56.8762 40.5258 173.5745 41 R 4.6334 8.4729 120.2464 54.5668 32.8718 176.2874 42 K 3.9994 8.4297 119.9775 58.1441 34.6210 175.3774 *43 Q 4.1261 8.4205 118.3022 54.7960 29.1344 175.2551 44 V 4.0104 7.6099 117.9917 62.9895 32.7077 175.8840 45 V 5.0338 8.0606 113.5118 60.8548 33.0816 176.8583 *46 I 4.0680 7.9037 118.1276 60.0272 37.0710 175.1484 47 D 4.4722 8.2258 120.7107 54.2759 42.0059 176.5324 48 G 3.9588 8.5907 107.5649 45.2170 0.0000 173.9844 49 E 4.2863 7.6863 120.6523 55.7984 30.9983 176.3446 50 T 4.7263 8.0765 122.8994 62.9378 66.7392 173.3666 51 C 5.5833 7.5743 116.9746 57.4409 31.6283 174.1485 52 L 4.5278 7.9956 121.5885 54.6086 41.4445 176.4087 53 L 4.1936 7.9879 122.7797 55.6430 43.3053 178.4518 *54 D 4.4747 8.2889 117.8686 52.9745 42.0643 175.0020 55 I 4.0798 7.7192 120.2118 61.1590 39.0004 173.8966 56 L 4.3024 8.2429 129.4047 53.1314 42.3855 175.3315 57 D 4.6862 8.6850 127.5292 54.6756 42.5310 174.9094 58 T 4.7224 8.0567 111.4552 59.9187 71.5553 173.2155 59 A 4.4359 8.0803 124.7850 51.1811 19.2845 178.0176 60 G 3.9152 8.1363 108.1960 45.5030 0.0000 173.9874 *64 Y 4.6239 7.5133 109.5725 57.6161 39.3547 177.7784 65 S 4.2329 8.1421 114.3330 61.1615 64.0795 175.2204 66 A 4.6450 7.3619 128.5517 50.4740 16.8949 180.9973 67 M 3.4248 8.6971 112.3828 58.8520 33.3094 178.5215 68 R 2.5382 7.3533 119.5670 57.2397 30.6597 176.4384 69 D 4.6844 7.3714 117.1030 51.7467 39.1717 173.2524 70 Q 4.5494 6.1900 124.8225 57.1433 36.9800 174.5380 71 Y 4.4216 7.6251 116.6969 58.8472 39.1027 177.7670 72 M 4.7299 7.5560 119.8425 57.7776 32.4332 178.0819 73 R 4.1833 7.8968 116.0062 57.7848 30.1761 176.4540 74 T 4.7219 7.8992 112.9591 61.8029 67.8415 173.5903 75 G 4.7746 8.2921 107.9890 43.7140 0.0000 173.3341 76 E 4.8334 10.7800 120.4823 53.6432 29.7855 176.9698 77 G 5.5019 7.4388 121.6496 48.0739 0.0000 169.9449 78 F 5.5500 8.1941 125.7263 54.0706 38.6801 175.5309 79 L 4.6383 7.8150 126.1843 52.7003 39.9051 174.8786 80 C 4.2063 8.0394 120.5312 59.6920 30.0262 174.0804 81 V 5.6746 8.6143 117.4269 60.7645 34.5532 173.4419 82 F 5.0132 8.0627 112.0348 55.6519 42.0479 172.9630 83 A 4.4353 8.8203 122.0721 51.4238 19.2735 177.6508 84 I 4.5188 9.4181 119.1828 59.4729 34.8974 174.2980 85 N 4.5692 8.1351 135.0000 54.2085 39.1784 175.3528 86 N 4.9364 8.4132 118.6722 53.0971 39.6159 175.5207 87 T 4.2615 8.5565 120.8679 64.7532 69.5159 174.4684 88 K 4.4813 7.7964 121.5616 55.8478 31.9394 173.8327 89 S 4.6452 7.6077 116.6727 60.0347 66.3255 177.2856 90 F 3.5133 7.3101 115.7613 59.4601 37.7823 176.1497 91 E 3.2868 6.7048 120.8187 57.9728 29.6774 175.8548 92 D 5.0097 7.6408 122.0429 53.4649 42.3439 176.7911 *93 I 4.0326 7.8146 117.6422 60.1114 37.5974 174.0796 94 H 4.9981 8.3766 120.4239 56.3385 31.6266 175.2533 95 Q 3.4051 7.9748 119.3757 58.5869 28.9346 176.6917 96 Y 5.0228 7.9907 113.8665 58.1320 38.5673 176.7595 97 R 4.4021 9.1851 122.9639 58.6308 30.5431 177.9814 98 E 3.9112 8.0225 117.7674 59.6968 29.5605 178.9027 99 Q 3.8409 8.2425 119.0910 59.3503 28.8381 178.4866 100 I 3.6936 7.7079 113.5200 63.7107 37.5501 178.0389 101 K 4.3690 8.0122 121.0702 57.8535 31.6784 179.2075 102 R 3.9335 8.6662 119.9175 59.3022 30.0991 178.4313 103 V 3.6517 7.9968 111.9307 63.3709 33.2715 177.7794 104 K 4.3029 8.1758 120.7390 58.6925 30.0350 177.9296 105 D 4.6719 6.3985 123.0073 56.4553 38.4001 177.1960 106 S 4.4277 8.5153 117.0288 57.1014 66.3229 174.4681 107 D 4.4487 8.8368 124.0207 54.8326 42.1028 176.4693 *108 D 4.4789 8.1751 118.5279 53.0959 41.6609 175.8663 109 V 3.9756 7.7573 112.8273 60.7284 33.3104 174.3660 110 P 4.6312 0.0000 0.0000 62.2305 29.1206 174.8065 111 M 5.3886 7.7276 120.8948 53.7431 36.6826 174.8655 112 V 4.4547 8.1411 117.3305 62.1626 34.8869 173.5705 113 L 4.6217 8.7853 128.7615 54.4088 41.8960 173.7773 114 V 4.2234 8.8414 124.5383 61.4335 33.3579 174.2948 115 G 3.2035 9.1140 116.7204 44.2525 0.0000 173.1400 116 N 4.8004 10.2445 122.9989 53.0383 40.6540 172.8586 117 K 3.8519 9.8605 124.1351 56.7735 29.5233 175.9656 118 C 4.8764 8.0252 122.2094 57.4440 29.5827 173.5671 119 D 4.6107 7.6976 118.4651 55.4279 41.4308 176.5724 120 L 3.7853 8.0019 122.7520 54.7502 41.5792 176.3381 121 A 3.3760 7.9073 126.6923 55.8470 19.3123 176.5632 122 A 3.9331 7.8788 118.9513 52.0997 18.9682 177.6611 123 R 4.5439 8.3421 123.0706 54.6057 30.7876 175.8542 124 T 4.0383 8.5934 114.6099 64.3198 69.1369 176.2816 125 V 4.6263 7.5474 121.4284 61.2687 29.6694 173.3019 126 E 4.0117 8.4984 125.7951 55.9436 30.3001 177.3118 127 S 5.0423 9.1745 123.8779 62.0123 62.9147 176.8644 128 R 4.0444 7.8650 118.2471 57.1975 29.6997 177.9575 129 Q 3.8950 8.5697 121.7419 59.2359 29.2810 177.3174 130 A 3.7287 7.3041 119.8201 53.4125 18.3744 178.8478 131 Q 3.4542 7.1405 119.1761 58.7523 29.1076 177.5270 132 D 4.2241 7.8189 118.7358 56.8208 41.0420 177.8031 133 L 3.6958 7.7098 120.4818 58.0239 41.9150 178.6963 134 A 3.9594 7.7055 120.5836 55.1498 18.1124 179.5448 135 R 3.5150 7.8481 115.9337 58.9360 30.1553 178.7682 136 S 4.3311 7.8299 114.6693 61.9547 63.0251 175.5842 137 Y 4.3233 7.6759 118.3068 59.8004 37.6761 176.3519 138 G 4.1865 9.3432 107.5480 45.2819 0.0000 173.4613 139 I 4.0711 7.1704 111.3963 59.5521 39.9145 173.0738 *141 Y 5.3498 7.7890 119.6696 58.7583 39.3820 173.0897 142 I 4.3895 6.7984 118.1738 60.5449 41.6563 173.4819 143 E 5.6977 8.5959 122.9447 53.8835 31.8496 175.2910 144 T 4.5581 8.0950 112.8124 61.2157 72.6853 172.4541 145 S 4.5214 8.1090 115.1067 57.5081 64.6081 174.0327 146 A 4.0721 8.8155 130.9400 55.0497 18.6249 176.9226 147 K 3.6362 7.0218 119.6591 57.0518 33.1604 177.2347 *148 T 4.2160 7.9766 111.7562 60.7295 70.3190 172.8501 149 R 4.3811 8.2772 121.8918 56.3043 32.0449 176.3409 150 Q 4.0004 7.6172 115.6761 57.0946 29.5000 177.1036 151 G 4.0477 8.7693 109.6839 46.5148 0.0000 176.5103 152 V 3.6364 7.8636 120.0495 64.8056 31.1286 178.2923 153 E 3.5675 8.3714 118.9628 60.4670 29.2371 179.1379 154 D 4.0877 7.2076 114.6341 56.5743 42.2822 178.2792 155 A 4.0819 8.6074 121.1830 55.2549 18.7070 179.6584 156 F 4.5041 8.2660 112.5607 59.8217 37.9052 177.5197 157 Y 3.8130 8.5644 118.0342 61.2365 37.8313 177.9796 158 T 4.0211 8.7270 117.8449 66.6589 68.1459 175.7711 159 L 3.9126 8.4176 122.3580 58.6640 41.6532 179.2036 160 V 3.3228 8.0188 117.8840 66.1928 30.9531 178.0860 161 R 3.8597 7.8313 117.3427 59.3495 30.2272 178.5954 162 E 4.1315 8.0308 117.9562 59.0294 29.3637 179.2598 163 I 3.8339 7.2064 112.4480 63.4984 37.7851 178.0381 164 R 4.3133 7.1682 118.4778 58.3659 29.6195 177.5581 165 Q 4.4497 7.6187 118.6903 56.0756 28.9511 175.4557 166 H 4.5549 8.0038 124.2515 56.5129 30.3349 172.3187 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 4.43 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 2 T 8.50 3.73 4.43 0.00 0.00 0.00 0.00 0.00 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 3 E 8.99 4.82 0.00 1.88 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 2.20 2.31 0.00 4 Y 7.76 5.05 0.00 3.05 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.01 5.34 0.00 1.87 1.92 0.00 1.95 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.57 7.81 6 L 7.78 4.70 0.00 1.60 1.74 1.14 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.23 3.78 0.67 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 0.15 0.00 0.00 0.68 0.00 0.00 8 V 7.61 4.61 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 0.94 0.00 0.00 0.96 0.00 0.00 9 V 8.48 4.23 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 0.60 0.00 0.00 1.13 0.00 0.00 10 G 7.92 4.15 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 0.00 11 A 7.81 5.54 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.76 0.00 2.07 2.04 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 13 G 7.03 3.19 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 14 V 8.52 4.31 2.14 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 0.89 0.00 0.00 1.08 0.00 0.00 15 G 8.04 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 K 7.99 4.18 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.53 7.81 17 S 8.33 4.65 0.00 4.01 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 18 A 9.08 3.87 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 19 L 8.03 4.00 0.00 1.89 1.98 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.51 4.29 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 0.91 0.00 0.00 21 I 7.89 3.83 1.96 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 1.54 0.84 0.93 0.00 0.00 22 Q 7.47 5.13 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.70 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 23 L 7.18 4.71 0.00 1.82 1.63 1.26 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.24 3.81 1.65 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.84 0.00 0.00 25 Q 7.82 3.93 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.34 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 26 N 9.24 4.13 0.00 2.97 2.96 0.00 0.00 6.82 7.89 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 27 H 8.20 4.48 0.00 3.31 3.39 0.00 5.27 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.72 5.03 0.00 2.94 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 29 V 7.76 3.67 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 0.59 0.00 0.00 0.89 0.00 0.00 *30 D 8.16 4.45 0.00 2.47 2.52 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 31 E 8.14 3.97 0.00 1.98 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 2.21 2.29 0.00 32 Y 8.58 3.58 0.00 3.02 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 33 D 8.00 4.31 0.00 2.53 2.34 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 34 P 0.00 4.10 0.00 2.33 2.09 0.00 3.83 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 1.91 1.94 0.00 35 T 8.47 3.63 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 1.34 0.00 0.00 36 I 7.92 4.74 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 0.89 0.00 0.00 37 E 8.59 4.88 0.00 1.66 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 1.70 1.60 0.00 38 D 7.98 4.69 0.00 2.74 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 39 S 8.00 4.15 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 40 Y 6.94 4.58 0.00 2.99 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 41 R 8.47 4.63 0.00 1.83 1.90 0.00 3.44 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 42 K 8.43 4.00 0.00 1.68 1.64 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.22 1.21 7.81 *43 Q 8.42 4.13 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.38 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 44 V 7.61 4.01 2.14 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 1.02 0.00 0.00 1.09 0.00 0.00 45 V 8.06 5.03 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 0.88 0.00 0.00 0.96 0.00 0.00 *46 I 7.90 4.07 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 1.41 0.49 0.91 0.00 0.00 47 D 8.23 4.47 0.00 2.68 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 48 G 8.59 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 0.00 0.00 0.00 49 E 7.69 4.29 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 50 T 8.08 4.73 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 1.21 0.00 0.00 51 C 7.57 5.58 0.00 2.99 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 52 L 8.00 4.53 0.00 1.67 1.60 0.92 0.57 0.00 0.00 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0.00 0.00 0.00 1.15 1.27 7.81 89 S 7.61 4.65 0.00 4.30 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 0.00 90 F 7.31 3.51 0.00 2.71 1.88 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 91 E 6.70 3.29 0.00 1.23 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 0.00 1.52 1.78 0.00 92 D 7.64 5.01 0.00 2.65 2.49 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 0.00 0.00 0.00 0.00 *93 I 7.81 4.03 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 0.68 0.91 0.00 0.00 94 H 8.38 5.00 0.00 3.23 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.97 3.41 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 6.71 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 96 Y 7.99 5.02 0.00 3.17 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 R 9.19 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0.84 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 0.00 131 Q 7.14 3.45 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 132 D 7.82 4.22 0.00 2.68 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 L 7.71 3.70 0.00 1.60 1.60 0.55 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.71 3.96 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 0.00 135 R 7.85 3.52 0.00 1.77 2.05 0.00 3.33 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 136 S 7.83 4.33 0.00 4.05 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 0.00 137 Y 7.68 4.32 0.00 3.09 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 0.00 138 G 9.34 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 0.00 139 I 7.17 4.07 2.10 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.68 1.10 0.00 0.00 *141 Y 7.79 5.35 0.00 2.77 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 6.80 4.39 1.83 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.41 0.81 0.00 0.00 143 E 8.60 5.70 0.00 1.60 1.63 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 1.71 1.72 0.00 144 T 8.09 4.56 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 1.23 0.00 0.00 145 S 8.11 4.52 0.00 3.76 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 0.00 146 A 8.82 4.07 1.48 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 0.00 0.00 147 K 7.02 3.64 0.00 0.79 1.07 0.00 1.72 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.16 1.09 7.81 *148 T 7.98 4.22 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 1.21 0.00 0.00 149 R 8.28 4.38 0.00 1.75 1.98 0.00 3.35 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 150 Q 7.62 4.00 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 5.39 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 151 G 8.77 4.05 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 0.00 0.00 0.00 152 V 7.86 3.64 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 0.86 0.00 0.00 1.07 0.00 0.00 153 E 8.37 3.57 0.00 1.49 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 2.38 2.26 0.00 154 D 7.21 4.09 0.00 2.57 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 0.00 155 A 8.61 4.08 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 0.00 156 F 8.27 4.50 0.00 3.31 3.39 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 0.00 157 Y 8.56 3.81 0.00 2.69 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 0.00 158 T 8.73 4.02 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 159 L 8.42 3.91 0.00 1.80 1.95 0.91 1.10 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 0.00 160 V 8.02 3.32 2.18 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 0.89 0.00 0.00 0.92 0.00 0.00 161 R 7.83 3.86 0.00 2.01 1.96 0.00 3.23 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 162 E 8.03 4.13 0.00 2.00 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 2.41 2.38 0.00 163 I 7.21 3.83 1.78 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 -0.36 0.91 0.00 0.00 164 R 7.17 4.31 0.00 2.03 2.22 0.00 3.09 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.56 0.00 165 Q 7.62 4.45 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 166 H 8.00 4.55 0.00 3.18 3.37 0.00 5.78 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 * Residues marked with a * may have inaccurate shift predictions.