NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.1389 8.3144 121.7828 55.8456 33.3233 174.8627 11 V 3.5762 8.2033 123.0263 62.2515 31.8129 173.7889 12 R 4.8187 8.2241 126.7184 54.7198 33.5968 173.8196 13 C 5.5263 8.8635 116.1521 53.5360 45.3152 172.3822 14 A 4.9633 8.4209 121.7671 50.1301 22.1126 175.0278 15 V 4.7420 8.6366 122.6029 60.8597 33.3012 174.7279 16 V 4.8433 8.5113 127.7200 60.7261 33.6786 174.5253 17 D 4.5510 9.0724 128.7639 54.7975 41.5029 177.6314 18 T 3.9550 8.7260 115.5088 64.6408 69.1222 175.3138 19 N 4.4880 8.4387 119.4304 56.1277 38.8239 176.6037 20 V 3.7358 7.8610 116.8948 65.9438 32.0269 178.6484 21 L 4.3472 7.5549 121.4031 54.5936 40.4842 178.4750 *23 Y 4.5045 7.8992 117.1900 57.9857 40.2521 178.0908 24 V 4.0534 7.9854 119.4025 65.6765 31.8958 177.5043 25 Y 3.5391 8.0050 118.7115 60.4686 38.7955 177.0386 26 L 3.9448 7.8471 117.8014 56.8166 41.9076 177.4000 27 N 4.6737 7.7536 113.0018 51.6411 39.5028 174.2282 28 K 3.5873 7.3024 116.1355 57.2762 30.4040 175.1733 29 A 4.5633 7.6350 120.7842 50.8885 20.1420 177.2212 30 D 4.9094 8.3340 124.5994 53.0321 38.6564 176.3897 31 V 3.6874 7.7656 123.4427 65.6194 32.0044 177.1704 32 V 3.4456 7.7874 117.5228 65.8936 31.6044 177.9779 33 G 3.7452 8.1934 106.8404 47.4161 0.0000 175.6265 34 Q 4.0598 8.4140 120.5135 58.7062 28.8046 178.8752 35 L 4.5013 8.3675 120.1390 58.0193 41.6884 179.6173 36 R 4.6968 8.4974 119.6107 58.9613 29.7838 178.8680 37 E 3.9230 7.9707 117.0513 59.2428 29.5196 178.6367 38 F 4.6715 7.6669 113.8279 57.8181 39.2718 176.2874 39 G 3.8554 8.0936 107.4409 45.0146 0.0000 173.4098 40 F 4.5928 8.2392 119.9063 56.4816 39.4294 176.0746 41 S 4.9106 8.6383 118.9294 57.7237 64.3640 174.0700 42 R 4.5551 7.4324 120.0907 54.3576 33.4762 174.3562 43 F 4.7632 8.4150 121.1820 55.3801 42.1976 173.9348 44 L 5.3092 8.8490 123.4801 52.9772 45.0062 175.4375 45 I 4.9805 8.9809 122.1974 59.4791 42.2800 174.1818 46 T 4.8715 8.3618 115.3763 60.6370 70.6394 175.5091 47 A 3.9911 8.8132 125.4889 55.4494 18.2652 180.3058 48 S 4.0079 7.9765 110.9587 61.7014 62.6289 176.5053 49 V 3.5667 7.6979 120.6552 65.6306 31.2232 177.7686 50 K 3.8474 8.1435 119.5160 59.5924 32.0669 178.7445 51 R 4.1498 7.9745 120.1751 58.9732 29.8983 178.2679 52 E 3.9834 8.4853 118.7399 59.3113 29.3334 179.1564 53 L 3.9393 8.0833 120.4149 58.0899 41.7944 178.7479 54 E 3.9344 8.3239 118.6491 59.3187 29.1363 179.6394 55 K 4.0095 7.9003 117.5107 59.3087 32.4584 178.6787 56 L 4.1218 8.1084 120.9131 58.0006 41.8355 179.7678 57 E 4.3014 8.1231 119.8031 55.9341 30.1769 177.6326 *59 S 4.3825 8.0762 111.5143 57.2729 65.0224 173.6558 60 L 4.3751 7.4640 120.6775 54.5078 42.5505 175.8980 61 R 4.6914 7.7297 117.7014 54.9941 35.2246 176.3058 62 G 3.8029 8.5290 107.2910 46.5133 0.0000 176.4583 63 K 4.0931 8.5808 118.7216 59.9684 32.5804 179.1542 64 E 3.9740 8.1779 119.5726 59.0969 29.4323 178.9369 65 K 3.9100 7.9620 119.3374 59.4679 32.1816 179.0727 66 V 3.4016 7.5991 117.8495 65.8044 31.2972 177.8796 67 A 3.8851 8.1223 120.5254 54.9775 18.1449 179.5128 68 A 3.9521 8.1670 119.3583 55.3796 18.4896 180.0664 69 R 3.8310 8.0058 116.6167 59.3034 30.1207 179.1263 70 F 3.9502 8.5194 120.5610 61.0858 39.3932 176.8920 71 A 4.0256 8.5197 120.8723 55.3964 17.9543 179.6034 72 L 3.8672 7.9955 116.4820 57.8235 41.9039 179.6869 73 K 4.0162 7.8680 118.5043 59.2737 31.9345 179.3013 74 L 3.9214 7.7062 119.2688 57.8147 41.5685 179.4885 75 L 3.6386 7.6859 118.1626 56.8707 41.2116 179.0434 76 E 4.0402 7.8397 118.2629 58.7642 29.2784 177.3485 77 H 4.8844 8.1295 114.0296 55.4653 29.1159 174.1262 78 F 5.0970 7.9857 118.2756 55.8478 41.0552 175.5560 79 E 4.2216 9.2873 122.0855 56.3441 30.6532 175.9000 80 V 4.7376 8.3864 124.1757 61.4843 33.0286 175.1185 81 V 4.5905 8.7227 121.2806 59.5745 34.9898 174.9361 82 E 4.8974 8.7893 122.7981 55.8868 30.7783 175.7887 83 T 4.8816 8.0863 111.1499 59.8521 72.2914 174.2904 84 E 4.0319 9.6865 123.1835 59.5298 29.5877 178.3276 85 S 4.5717 8.3858 112.9953 57.4533 64.4133 172.4155 86 E 4.7813 8.0277 118.9647 55.2336 33.6290 178.1714 87 G 3.8076 8.7653 108.2641 46.2973 0.0000 174.9276 88 D 4.3755 8.8678 118.0183 57.3962 40.9217 176.7654 89 P 4.3213 0.0000 0.0000 65.6554 31.1273 178.6510 90 S 4.4524 8.0459 114.3422 60.6034 62.8272 176.6291 91 L 4.0105 7.9233 122.9264 57.6627 41.2914 179.3828 92 I 3.6906 7.6915 119.2590 64.2915 37.1494 177.7306 93 E 3.9079 8.2073 119.8923 59.3391 29.4321 178.7835 94 A 4.1913 8.4172 120.6730 55.1846 18.4426 179.3812 95 A 3.9921 8.2208 119.4087 55.3337 18.6334 179.4914 96 E 3.8633 8.4255 117.9224 59.2781 29.5286 178.8623 97 K 3.8711 7.9859 118.3653 59.4101 32.3980 177.5777 98 Y 4.3517 8.1265 113.7263 56.9698 38.7288 175.3066 99 G 3.7712 7.7197 106.6523 46.9422 0.0000 172.8648 100 C 5.0941 8.2422 115.6289 54.7548 42.3265 174.6594 101 I 4.1522 8.1045 120.7952 61.0079 39.2007 174.2276 102 L 4.9923 8.6749 129.9832 53.4634 44.2744 174.9253 103 I 5.3125 8.5442 127.9980 59.7067 38.7066 174.6567 104 T 4.7327 8.3520 119.9665 61.3957 69.9866 172.8527 105 N 4.7372 8.7277 122.7578 53.1209 39.5545 175.0642 106 D 4.5308 8.2383 122.6335 54.2666 42.3045 177.5008 107 K 4.0324 8.7620 134.6873 60.5249 31.8604 176.0931 108 E 4.2223 8.1316 118.8069 60.7739 29.7367 181.1320 109 L 4.1547 8.6021 121.5817 58.0343 42.0854 179.2472 110 K 3.9269 8.0999 118.4370 59.3170 31.8895 179.2558 111 R 3.8273 7.7958 118.3636 59.4871 29.9605 178.5722 112 K 3.8897 8.0813 117.9734 59.5285 31.9798 179.2019 113 A 4.0633 8.3347 123.3788 55.5929 18.4389 180.3785 114 K 3.9704 8.4585 125.0102 60.8243 31.5878 181.8729 115 Q 4.3473 8.3394 121.0580 59.1109 27.9799 179.6348 116 R 4.7569 7.3502 115.6239 55.5004 30.4874 176.5765 117 G 3.8855 7.6012 105.8533 46.3482 0.0000 173.5398 118 I 4.3667 7.9356 121.3596 59.0671 37.9733 174.4387 119 P 4.5182 0.0000 0.0000 62.8863 32.6286 175.3595 120 V 4.9202 8.3482 120.5197 61.2536 34.7441 174.5948 121 G 4.4883 9.0180 112.8636 44.9290 0.0000 170.6367 122 Y 5.1764 7.9186 117.5370 55.5501 41.4712 173.9529 123 L 4.3070 9.2698 120.6970 53.7354 42.5815 176.7216 124 K 4.6696 8.2725 123.2173 54.3538 35.2051 174.3870 125 E 4.5780 8.7396 124.5563 54.3102 31.1957 174.3948 126 D 4.8305 8.6939 125.6416 52.3678 42.6195 175.0822 127 K 4.6252 8.6819 126.3142 54.4531 33.9376 175.6775 128 R 4.6919 8.5471 119.9442 54.1104 32.0310 174.7994 129 V 4.3757 8.3962 120.4321 61.0951 33.1133 174.7539 130 F 5.0021 7.8889 120.5486 54.8047 40.9840 174.0479 131 V 3.6876 8.4899 121.8784 62.3940 31.7882 174.7809 132 E 4.6543 8.5571 128.2333 54.7878 30.5461 175.1564 133 L 4.5241 8.5695 124.8944 54.6535 42.7663 176.4893 134 L 4.2847 7.9772 123.9400 54.8158 41.6752 176.2530 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 10 K 8.31 4.14 0.00 1.69 1.75 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.48 7.81 11 V 8.20 3.58 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 0.79 0.00 0.00 0.92 0.00 0.00 12 R 8.22 4.82 0.00 1.68 1.71 0.00 3.25 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.26 0.00 13 C 8.86 5.53 0.00 2.83 3.08 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 0.00 0.00 0.00 14 A 8.42 4.96 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 15 V 8.64 4.74 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 1.41 0.00 0.00 0.94 0.00 0.00 16 V 8.51 4.84 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 0.97 0.00 0.00 1.18 0.00 0.00 17 D 9.07 4.55 0.00 2.86 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 18 T 8.73 3.96 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 1.16 0.00 0.00 19 N 8.44 4.49 0.00 2.83 2.90 0.00 0.00 6.94 7.00 0.00 0.00 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 7.86 3.74 2.32 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 0.85 0.00 0.00 0.93 0.00 0.00 21 L 7.55 4.35 0.00 1.90 1.71 0.64 1.35 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 *23 Y 7.90 4.50 0.00 3.21 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 24 V 7.99 4.05 2.38 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 1.45 0.00 0.00 1.15 0.00 0.00 25 Y 8.00 3.54 0.00 2.67 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 26 L 7.85 3.94 0.00 1.42 1.48 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.75 4.67 0.00 2.51 2.60 0.00 0.00 7.14 7.12 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 28 K 7.30 3.59 0.00 1.95 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.24 7.81 29 A 7.64 4.56 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 30 D 8.33 4.91 0.00 2.81 2.59 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 0.00 0.00 0.00 0.00 31 V 7.77 3.69 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 1.06 0.00 0.00 1.02 0.00 0.00 32 V 7.79 3.45 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 0.34 0.00 0.00 0.77 0.00 0.00 33 G 8.19 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 34 Q 8.41 4.06 0.00 2.35 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 35 L 8.37 4.50 0.00 2.21 2.14 1.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.50 4.70 0.00 2.12 2.08 0.00 3.20 0.00 0.00 3.35 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 37 E 7.97 3.92 0.00 1.87 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 2.27 2.55 0.00 38 F 7.67 4.67 0.00 3.54 3.15 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 39 G 8.09 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 40 F 8.24 4.59 0.00 3.29 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 S 8.64 4.91 0.00 3.85 3.92 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 42 R 7.43 4.56 0.00 1.56 1.64 0.00 3.04 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 43 F 8.41 4.76 0.00 2.10 1.45 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 0.00 44 L 8.85 5.31 0.00 1.51 1.45 0.74 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.98 4.98 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.64 1.00 0.00 0.00 46 T 8.36 4.87 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 1.27 0.00 0.00 47 A 8.81 3.99 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 48 S 7.98 4.01 0.00 3.91 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 49 V 7.70 3.57 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 0.94 0.00 0.00 0.95 0.00 0.00 50 K 8.14 3.85 0.00 1.84 1.93 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.40 7.81 51 R 7.97 4.15 0.00 2.06 2.08 0.00 3.24 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 52 E 8.49 3.98 0.00 2.15 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 2.55 2.46 0.00 53 L 8.08 3.94 0.00 1.74 1.80 0.91 0.78 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 54 E 8.32 3.93 0.00 2.20 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 2.30 2.45 0.00 55 K 7.90 4.01 0.00 1.90 1.86 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.54 7.81 56 L 8.11 4.12 0.00 1.86 1.84 0.93 1.15 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 57 E 8.12 4.30 0.00 2.07 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 0.00 2.31 2.45 0.00 *59 S 8.08 4.38 0.00 4.04 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 60 L 7.46 4.38 0.00 1.65 1.64 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.73 4.69 0.00 1.81 1.75 0.00 3.28 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 62 G 8.53 3.80 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 0.00 0.00 0.00 63 K 8.58 4.09 0.00 2.16 2.18 0.00 1.55 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.57 7.81 64 E 8.18 3.97 0.00 2.23 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 2.45 2.40 0.00 65 K 7.96 3.91 0.00 1.76 1.93 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.57 7.81 66 V 7.60 3.40 1.83 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 0.30 0.00 0.00 0.89 0.00 0.00 67 A 8.12 3.89 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 68 A 8.17 3.95 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 69 R 8.01 3.83 0.00 1.97 1.95 0.00 3.09 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 1.61 1.77 0.00 70 F 8.52 3.95 0.00 3.07 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 71 A 8.52 4.03 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 72 L 8.00 3.87 0.00 1.70 1.68 0.89 0.76 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 73 K 7.87 4.02 0.00 1.71 1.58 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 74 L 7.71 3.92 0.00 1.72 1.67 1.09 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.69 3.64 0.00 1.71 1.53 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.84 4.04 0.00 1.95 1.89 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 2.28 2.53 0.00 77 H 8.13 4.88 0.00 3.32 3.38 0.00 5.83 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 7.99 5.10 0.00 2.97 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 79 E 9.29 4.22 0.00 1.80 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 2.31 2.24 0.00 80 V 8.39 4.74 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 0.81 0.00 0.00 0.96 0.00 0.00 81 V 8.72 4.59 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 0.25 0.00 0.00 0.91 0.00 0.00 82 E 8.79 4.90 0.00 1.89 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 2.30 2.27 0.00 83 T 8.09 4.88 4.56 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 1.28 0.00 0.00 84 E 9.69 4.03 0.00 2.22 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 2.35 2.40 0.00 85 S 8.39 4.57 0.00 4.01 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 86 E 8.03 4.78 0.00 1.93 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 0.00 2.20 2.27 0.00 87 G 8.77 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 88 D 8.87 4.38 0.00 2.70 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 89 P 0.00 4.32 0.00 2.16 2.13 0.00 3.72 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 2.12 2.16 0.00 90 S 8.05 4.45 0.00 4.09 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 0.00 91 L 7.92 4.01 0.00 1.88 1.78 0.94 0.63 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 92 I 7.69 3.69 2.05 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 1.53 0.61 0.92 0.00 0.00 93 E 8.21 3.91 0.00 2.07 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 0.00 2.35 2.36 0.00 94 A 8.42 4.19 1.45 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 0.00 0.00 0.00 95 A 8.22 3.99 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 96 E 8.43 3.86 0.00 2.05 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 2.30 2.32 0.00 97 K 7.99 3.87 0.00 1.76 1.93 0.00 1.72 0.00 0.00 1.48 0.00 0.00 2.59 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.49 1.15 7.81 98 Y 8.13 4.35 0.00 3.15 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 99 G 7.72 3.77 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 0.00 100 C 8.24 5.09 0.00 2.85 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 0.00 101 I 8.10 4.15 1.76 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.64 -0.03 0.00 0.00 102 L 8.67 4.99 0.00 1.79 1.49 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.54 5.31 1.91 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.56 0.98 0.00 0.00 104 T 8.35 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 0.00 105 N 8.73 4.74 0.00 2.65 2.77 0.00 0.00 6.92 8.06 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 0.00 106 D 8.24 4.53 0.00 2.78 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 0.00 107 K 8.76 4.03 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.07 7.81 108 E 8.13 4.22 0.00 1.97 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 2.31 1.93 0.00 109 L 8.60 4.15 0.00 1.92 1.68 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.10 3.93 0.00 1.92 1.78 0.00 1.60 0.00 0.00 1.43 0.00 0.00 2.61 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.41 1.54 7.81 111 R 7.80 3.83 0.00 2.00 2.05 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 112 K 8.08 3.89 0.00 2.09 1.85 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.34 7.81 113 A 8.33 4.06 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 0.00 114 K 8.46 3.97 0.00 1.76 1.84 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.33 7.81 115 Q 8.34 4.35 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 116 R 7.35 4.76 0.00 1.72 1.96 0.00 3.24 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 117 G 7.60 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 0.00 118 I 7.94 4.37 1.97 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 1.29 0.62 0.97 0.00 0.00 119 P 0.00 4.52 0.00 2.13 2.20 0.00 3.65 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 2.10 2.01 0.00 120 V 8.35 4.92 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 0.91 0.00 0.00 0.97 0.00 0.00 121 G 9.02 4.49 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 0.00 0.00 0.00 122 Y 7.92 5.18 0.00 3.09 2.98 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 0.00 123 L 9.27 4.31 0.00 1.68 1.67 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.27 4.67 0.00 1.41 1.55 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.47 7.81 125 E 8.74 4.58 0.00 2.03 1.87 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 2.23 2.30 0.00 126 D 8.69 4.83 0.00 2.65 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 0.00 127 K 8.68 4.63 0.00 1.79 1.73 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.42 7.81 128 R 8.55 4.69 0.00 1.95 1.91 0.00 3.00 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 129 V 8.40 4.38 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 0.82 0.00 0.00 0.94 0.00 0.00 130 F 7.89 5.00 0.00 3.11 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 0.00 131 V 8.49 3.69 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 0.79 0.00 0.00 0.95 0.00 0.00 132 E 8.56 4.65 0.00 1.75 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 2.20 2.44 0.00 133 L 8.57 4.52 0.00 1.69 1.69 0.94 1.04 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 0.00 134 L 7.98 4.28 0.00 1.81 1.59 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.