NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3121 8.1185 123.5852 51.5792 20.9170 178.3876 4 A 3.9259 7.8371 119.6212 53.8777 18.4172 178.0990 5 L 3.8027 8.0599 119.0527 58.0734 42.6572 177.1920 6 K 4.0904 8.1087 119.1525 59.7655 31.9999 178.1099 7 N 4.4133 7.8733 115.7011 56.6605 39.1094 175.9417 8 Y 4.1966 7.8778 120.8141 60.8751 38.7559 177.2210 9 Y 4.6462 7.8970 114.9388 59.6850 38.3992 176.6280 10 E 4.5288 7.9008 118.9068 56.4356 29.9905 177.9420 11 V 3.6411 7.7100 120.8006 66.1969 31.1821 177.3898 12 H 3.6629 8.3524 117.7428 59.0021 29.6231 177.0318 13 K 4.1498 7.9890 120.9981 59.2352 31.5665 178.3281 14 E 3.9277 8.1192 119.9682 59.0768 29.4543 178.6043 15 L 3.6840 7.5457 118.6809 57.8910 41.4729 179.6379 16 F 3.8467 7.7546 116.1479 60.3263 38.7603 177.6073 17 E 4.1063 8.1851 118.6906 59.3145 29.1446 179.5951 18 G 3.5662 7.7548 104.8218 47.5017 0.0000 175.7890 19 V 3.2147 7.7467 120.9308 65.9047 31.4528 177.9365 20 Q 4.0752 8.3517 119.3264 59.1828 28.9089 178.1654 21 K 4.0685 8.3771 120.7398 58.9082 32.2019 178.7284 22 W 4.1275 8.6852 129.1597 60.5660 30.7572 177.6843 23 E 4.1473 8.8448 118.6433 59.5587 28.9437 179.1028 24 E 3.9547 8.4073 119.1372 59.6962 29.7053 179.0779 25 T 3.8994 7.9975 115.8132 66.1876 68.4324 176.5900 26 W 3.8871 8.0696 130.7664 60.2934 30.6181 177.9796 27 R 3.5832 7.9472 118.5747 59.2443 29.4862 178.4242 28 L 3.9014 7.8202 118.7687 57.6663 41.6710 179.0681 29 F 4.1860 8.2222 120.5596 61.5009 39.2384 176.8896 30 L 3.2488 7.2806 118.3673 57.7727 41.4966 179.3096 31 E 3.6040 7.6195 118.6527 58.9193 29.4789 178.3044 32 F 4.4410 7.8560 116.3288 58.8219 39.2679 177.5936 33 E 3.9008 7.7435 119.2639 58.6232 29.3100 178.9904 34 R 3.7930 7.8468 116.4065 59.3048 29.2338 179.2210 35 K 3.8520 7.2898 116.8286 58.8673 32.1125 178.8777 36 A 4.0526 7.6270 120.0060 54.6036 18.3233 178.9586 37 S 4.4459 7.5569 110.7150 58.6516 64.2654 174.7944 38 D 4.5056 7.1079 121.4537 52.4531 39.6374 174.6881 39 P 4.3899 0.0000 0.0000 65.3818 31.8632 177.2731 40 N 4.9684 7.8621 115.0779 51.9100 37.7912 181.3003 41 R 3.9761 7.6045 118.0689 59.8101 29.7262 177.5090 42 F 4.4332 7.5136 119.8850 57.7509 36.9877 174.9715 *48 N 4.6853 8.1660 120.3102 51.5603 39.8838 176.4276 49 L 3.9716 8.0366 122.2539 59.3895 42.1816 178.8777 50 L 3.9850 7.8595 118.4257 57.4780 41.5654 179.4834 51 K 3.9029 7.9635 117.9969 59.6298 32.0910 179.0122 52 E 3.9749 8.6741 119.0068 59.4626 29.3028 179.4619 53 E 3.9247 8.4002 118.7154 59.2553 29.6436 179.4599 54 K 3.8994 8.1773 118.7072 59.7034 31.9093 179.4807 55 Q 3.7499 8.3945 118.5104 58.7144 28.4251 178.8459 56 R 3.8245 7.8924 119.7365 59.2041 30.1680 178.4181 57 A 4.3298 8.2198 122.3805 54.5071 18.3392 179.8029 58 K 3.9596 7.9750 116.9708 59.6219 32.1108 179.6254 59 L 4.0805 7.7197 119.1674 57.8183 41.5277 179.3598 60 Q 4.0496 8.4166 118.1625 58.9735 27.0661 179.1327 61 K 4.0752 7.9812 120.0249 59.6576 32.2364 178.6990 62 M 4.3283 8.1700 118.5656 58.3963 32.1084 177.9908 63 L 4.1546 7.9672 119.2828 57.6673 41.8541 177.7180 64 P 4.2799 0.0000 0.0000 65.5903 31.3026 178.8699 65 K 4.0228 7.6614 116.3545 59.3251 31.9361 179.3253 66 L 4.0907 8.2788 119.5008 57.9718 41.5013 179.5743 67 E 4.0019 8.5665 118.4814 59.4226 29.4502 178.9966 68 E 3.8995 8.4110 119.5069 59.0916 29.6950 178.3892 69 E 3.8947 8.1375 119.1914 59.3805 29.6661 178.8306 70 L 3.8950 8.1464 119.1389 57.5556 41.5833 179.3925 71 K 3.8622 8.3464 119.5590 59.4304 32.0173 178.3871 72 A 3.9836 7.9090 121.0020 55.6195 18.2854 179.9204 73 R 3.9204 7.9093 116.1883 59.0722 30.1086 179.3881 74 I 3.4686 7.8883 119.9373 64.3483 37.1418 178.1622 75 E 4.0246 8.4448 119.7072 59.4805 29.3049 179.4678 76 L 4.2477 7.6647 120.0213 57.0048 41.6402 179.3471 77 W 4.0580 8.2284 128.1328 60.6063 30.5944 177.8089 78 E 4.1961 8.8147 120.2205 59.0007 28.3905 179.3902 79 Q 3.9446 8.2294 118.0774 58.8552 28.5557 178.5324 80 E 3.8341 7.9715 119.0677 59.3566 29.8770 177.9016 81 H 4.2600 7.7976 113.0184 54.7926 29.2705 175.2286 82 S 3.7972 8.0307 115.9257 59.2658 60.8017 172.1468 83 K 4.6713 7.4599 116.0737 54.4287 36.0798 175.6892 84 A 4.5953 8.4917 122.9222 51.7827 19.7195 177.2184 85 F 4.7109 10.1366 124.3705 57.8474 40.1334 174.2589 86 M 4.6553 8.2275 125.7879 53.3221 34.7716 176.1162 87 V 3.9396 8.8408 122.7921 61.7074 33.5932 175.5628 88 N 4.0335 9.8613 127.8711 54.4615 35.9108 175.2260 89 G 4.0129 9.2352 104.1673 45.1811 0.0000 172.9486 90 Q 4.5032 7.8434 119.6900 52.8172 32.5743 174.0612 91 K 4.6103 8.4760 125.0562 55.6900 33.3988 177.8585 92 F 3.9710 8.8142 126.1190 61.8575 39.5127 177.3006 93 M 3.8065 8.0953 117.4073 57.9232 31.6487 178.5484 94 E 3.8794 7.9881 118.7855 59.3747 29.6818 178.2502 95 Y 3.8962 7.7349 119.6007 60.5458 38.7769 178.3444 96 V 2.4531 7.1999 118.8445 65.5361 31.4707 177.6027 97 A 3.9806 7.6777 120.3227 55.5163 18.1031 179.5296 98 E 3.9069 8.1962 116.9977 59.4488 29.4768 179.5164 99 Q 3.8919 7.7547 118.2741 58.8464 28.6849 179.0761 100 W 4.4378 7.8491 119.7723 59.7043 28.9542 178.3156 101 E 4.0447 8.4401 119.3515 59.5680 29.0917 178.4528 102 M 4.0681 8.3627 119.0945 58.8289 31.9779 178.2825 103 H 4.2205 8.5783 118.0274 59.2645 30.0603 177.0059 104 R 3.9437 8.1757 120.4705 59.7406 29.9400 178.3100 105 L 3.9917 8.2938 118.8503 57.8916 41.6108 179.2677 106 E 4.0159 8.5226 119.3958 59.1761 29.5869 179.0466 107 K 3.9584 8.4058 119.0503 59.3187 31.9833 179.3084 108 E 3.9730 8.4541 119.0767 59.5485 29.5934 179.4425 109 R 3.8921 8.4983 118.2696 59.3181 30.2080 179.0386 110 A 4.0313 8.0461 120.5289 55.0344 18.4147 179.8820 111 K 3.9856 8.1877 117.0780 59.4794 32.0584 179.4500 112 Q 3.9647 8.3708 120.3179 58.9636 28.9207 177.7914 113 E 3.9353 8.1062 120.0576 59.3198 29.7328 178.9586 114 R 3.9053 7.8642 117.7469 59.2282 30.0486 178.7853 115 Q 3.9561 8.0672 119.3067 59.2831 28.9540 178.3536 116 L 3.9751 8.0550 119.9706 57.6912 41.6603 179.5096 117 K 3.9867 8.2741 119.7660 59.3538 32.1183 178.6643 118 N 4.3066 8.7633 117.1620 56.1385 38.4992 176.9912 119 K 3.8735 8.2109 121.2992 59.6350 32.2612 178.8932 120 K 4.5817 7.7782 120.0390 59.6898 32.4731 179.0983 121 Q 4.0756 8.0465 118.7891 58.8683 28.5285 178.7623 122 T 3.8627 8.0995 116.8855 66.7393 68.3958 176.4218 123 E 3.9542 8.1597 120.4397 59.8941 29.4236 179.7153 124 T 4.1373 8.4350 116.1218 66.6536 68.4994 176.8051 125 E 4.0393 8.3303 120.7060 59.3245 29.2565 178.7359 126 M 3.9297 7.9165 117.5425 58.8421 32.3202 178.0505 127 L 3.8367 7.2303 117.3315 56.8762 41.9406 177.4465 128 Y 4.8169 8.0582 112.7272 57.2595 39.8248 176.4510 129 G 3.8029 7.9183 109.2316 45.5152 0.0000 174.0031 130 S 4.3328 8.5006 116.0130 58.5899 62.9784 174.4127 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 3 A 8.12 4.31 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 4 A 7.84 3.93 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 5 L 8.06 3.80 0.00 1.74 1.71 0.62 0.41 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 6 K 8.11 4.09 0.00 1.95 2.06 0.00 1.84 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.60 7.81 7 N 7.87 4.41 0.00 2.75 3.03 0.00 0.00 7.24 8.89 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 8 Y 7.88 4.20 0.00 2.96 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 9 Y 7.90 4.65 0.00 3.19 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 10 E 7.90 4.53 0.00 2.19 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 2.35 2.60 0.00 11 V 7.71 3.64 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 1.12 0.00 0.00 0.98 0.00 0.00 12 H 8.35 3.66 0.00 3.44 3.34 0.00 5.74 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 13 K 7.99 4.15 0.00 1.84 2.02 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.43 7.81 14 E 8.12 3.93 0.00 2.08 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 2.26 2.33 0.00 15 L 7.55 3.68 0.00 1.25 0.65 -0.71 0.42 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 16 F 7.75 3.85 0.00 3.22 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 17 E 8.19 4.11 0.00 1.97 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 2.36 2.36 0.00 18 G 7.75 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.21 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 0.89 0.00 0.00 -0.30 0.00 0.00 20 Q 8.35 4.08 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 21 K 8.38 4.07 0.00 2.09 2.00 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.56 7.81 22 W 8.69 4.13 0.00 3.69 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 23 E 8.84 4.15 0.00 2.41 2.20 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 3.07 2.79 0.00 24 E 8.41 3.95 0.00 2.09 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 0.00 2.33 2.37 0.00 25 T 8.00 3.90 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 26 W 8.07 3.89 0.00 1.78 2.45 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 27 R 7.95 3.58 0.00 1.95 2.02 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 28 L 7.82 3.90 0.00 1.98 1.88 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.22 4.19 0.00 3.02 2.90 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 0.00 0.00 0.00 30 L 7.28 3.25 0.00 1.44 1.29 0.49 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.62 3.60 0.00 1.85 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 2.30 2.22 0.00 32 F 7.86 4.44 0.00 3.04 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 33 E 7.74 3.90 0.00 1.67 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 34 R 7.85 3.79 0.00 1.90 2.11 0.00 2.62 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 35 K 7.29 3.85 0.00 1.78 2.01 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.48 7.81 36 A 7.63 4.05 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 37 S 7.56 4.45 0.00 3.99 3.93 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 38 D 7.11 4.51 0.00 2.76 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 39 P 0.00 4.39 0.00 2.24 2.24 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 40 N 7.86 4.97 0.00 2.75 2.71 0.00 0.00 6.72 7.66 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 41 R 7.60 3.98 0.00 1.65 2.20 0.00 2.54 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.60 0.00 42 F 7.51 4.43 0.00 3.08 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 *48 N 8.17 4.69 0.00 2.67 2.82 0.00 0.00 6.40 6.67 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 49 L 8.04 3.97 0.00 1.76 1.70 0.92 0.67 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 50 L 7.86 3.99 0.00 1.72 1.69 0.92 1.12 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 51 K 7.96 3.90 0.00 1.98 1.85 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.54 7.81 52 E 8.67 3.97 0.00 2.06 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 2.58 2.59 0.00 53 E 8.40 3.92 0.00 1.95 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 2.52 2.49 0.00 54 K 8.18 3.90 0.00 1.94 1.80 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.50 7.81 55 Q 8.39 3.75 0.00 1.27 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 56 R 7.89 3.82 0.00 1.93 2.04 0.00 3.21 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 57 A 8.22 4.33 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 58 K 7.97 3.96 0.00 1.94 1.85 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.59 7.81 59 L 7.72 4.08 0.00 2.01 1.88 1.08 0.84 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 60 Q 8.42 4.05 0.00 2.42 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.66 2.84 0.00 61 K 7.98 4.08 0.00 1.85 1.96 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 62 M 8.17 4.33 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 63 L 7.97 4.15 0.00 1.92 2.12 0.63 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.28 0.00 2.08 2.07 0.00 3.91 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.03 0.00 65 K 7.66 4.02 0.00 2.01 1.88 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.65 7.81 66 L 8.28 4.09 0.00 2.10 1.98 1.06 1.21 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 67 E 8.57 4.00 0.00 2.30 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 2.35 2.85 0.00 68 E 8.41 3.90 0.00 2.07 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 2.30 2.36 0.00 69 E 8.14 3.89 0.00 2.12 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 2.30 2.35 0.00 70 L 8.15 3.90 0.00 1.96 1.68 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.35 3.86 0.00 1.87 1.80 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.46 7.81 72 A 7.91 3.98 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 73 R 7.91 3.92 0.00 1.76 1.86 0.00 3.07 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 74 I 7.89 3.47 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.40 1.04 0.00 0.00 75 E 8.44 4.02 0.00 2.00 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 2.36 2.64 0.00 76 L 7.66 4.25 0.00 1.82 1.74 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.23 4.06 0.00 3.39 3.25 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 78 E 8.81 4.20 0.00 2.25 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 0.00 2.87 2.77 0.00 79 Q 8.23 3.94 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 80 E 7.97 3.83 0.00 1.86 1.93 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 2.23 2.04 0.00 81 H 7.80 4.26 0.00 2.03 2.74 0.00 5.86 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.03 3.80 0.00 3.96 3.90 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 0.00 0.00 0.00 83 K 7.46 4.67 0.00 1.62 1.76 0.00 1.63 0.00 0.00 1.93 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.56 7.81 84 A 8.49 4.60 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 10.14 4.71 0.00 3.05 3.03 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 86 M 8.23 4.66 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 87 V 8.84 3.94 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 0.89 0.00 0.00 0.30 0.00 0.00 88 N 9.86 4.03 0.00 2.73 2.77 0.00 0.00 7.46 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 89 G 9.24 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 90 Q 7.84 4.50 0.00 2.06 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 91 K 8.48 4.61 0.00 1.84 1.76 0.00 2.04 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.37 7.81 92 F 8.81 3.97 0.00 2.98 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 93 M 8.10 3.81 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.67 0.00 94 E 7.99 3.88 0.00 2.14 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 2.37 2.34 0.00 95 Y 7.73 3.90 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 96 V 7.20 2.45 1.62 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 0.55 0.00 0.00 -0.88 0.00 0.00 97 A 7.68 3.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.20 3.91 0.00 1.99 1.93 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 2.30 2.39 0.00 99 Q 7.75 3.89 0.00 1.50 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 1.53 1.91 0.00 100 W 7.85 4.44 0.00 3.54 3.26 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 0.00 101 E 8.44 4.04 0.00 2.17 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 2.34 2.44 0.00 102 M 8.36 4.07 0.00 2.12 2.33 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 2.65 2.91 0.00 103 H 8.58 4.22 0.00 3.61 3.82 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.18 3.94 0.00 2.22 2.21 0.00 3.22 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 105 L 8.29 3.99 0.00 1.89 1.73 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.52 4.02 0.00 2.10 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 2.30 2.49 0.00 107 K 8.41 3.96 0.00 1.90 1.80 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.31 7.81 108 E 8.45 3.97 0.00 2.12 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 2.55 2.52 0.00 109 R 8.50 3.89 0.00 1.97 1.99 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 110 A 8.05 4.03 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 0.00 111 K 8.19 3.99 0.00 1.97 1.88 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.63 7.81 112 Q 8.37 3.96 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 113 E 8.11 3.94 0.00 2.20 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 2.30 2.35 0.00 114 R 7.86 3.91 0.00 1.94 1.98 0.00 3.19 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 115 Q 8.07 3.96 0.00 2.18 2.30 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 2.56 0.00 116 L 8.05 3.98 0.00 1.92 1.71 0.93 0.47 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 0.00 117 K 8.27 3.99 0.00 1.82 2.05 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.52 7.81 118 N 8.76 4.31 0.00 2.91 2.86 0.00 0.00 6.64 7.55 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 0.00 119 K 8.21 3.87 0.00 1.98 1.99 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.71 7.81 120 K 7.78 4.58 0.00 2.05 2.07 0.00 1.55 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.61 7.81 121 Q 8.05 4.08 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 122 T 8.10 3.86 4.37 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 1.21 0.00 0.00 123 E 8.16 3.95 0.00 2.25 2.02 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 2.33 2.46 0.00 124 T 8.43 4.14 4.44 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 1.40 0.00 0.00 125 E 8.33 4.04 0.00 2.16 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 2.35 2.45 0.00 126 M 7.92 3.93 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 127 L 7.23 3.84 0.00 0.48 0.13 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.06 4.82 0.00 3.04 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 0.00 129 G 7.92 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 0.00 130 S 8.50 4.33 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.