NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.0311 8.0244 121.4508 61.1390 38.4890 174.4711 5 N 4.5091 8.6965 124.1045 50.9189 39.2494 172.6732 6 I 4.5942 8.9140 120.0241 60.6359 39.2301 176.5616 7 D 4.3873 8.4375 123.5607 57.8592 40.6332 177.8622 8 R 4.4207 7.8667 115.1826 56.2889 30.5282 176.1390 9 H 4.5903 8.0325 119.4298 54.4826 30.1168 174.9125 10 A 3.9884 8.3330 130.9829 55.5059 18.3457 178.8311 11 T 3.8210 8.0119 113.4632 66.8241 68.3604 176.4537 12 A 3.9485 8.1317 120.4633 55.2822 18.5822 179.1279 13 Q 4.1131 8.2371 115.5739 59.3548 29.0515 179.0233 14 I 3.9637 8.1144 121.0406 64.1917 37.0471 178.4411 15 N 4.6229 8.3589 115.4756 53.6335 38.1856 176.8866 *17 L 4.1356 7.8999 122.5215 55.1878 43.9696 178.5229 18 A 4.0127 8.3726 119.2521 55.3491 18.3746 178.9542 19 N 4.4333 8.3248 113.9599 56.4430 38.9326 177.3096 20 K 4.1721 7.9805 120.4910 59.1608 32.2835 178.8575 21 L 4.0723 7.8882 116.9241 56.0070 41.8319 178.3138 *23 L 4.3031 7.8238 118.6631 54.4059 43.7352 179.3688 24 K 4.0572 8.1831 117.8766 59.6450 31.7931 179.6883 25 S 4.2948 8.4944 115.6881 61.3067 62.7309 176.4643 26 S 4.2384 8.2516 115.6044 61.8726 62.0615 176.2803 27 T 3.8811 7.8683 117.4301 66.5267 68.2401 176.4492 28 A 3.9915 8.1874 122.5431 55.6493 18.0901 179.3830 29 Y 4.0711 8.4875 115.5252 61.4212 38.0366 178.9907 30 T 4.1832 8.0882 118.1286 66.3735 68.3756 176.8452 31 Q 3.9894 8.1714 118.9636 58.2360 28.7852 177.8342 32 K 3.7545 7.7226 119.5127 57.4170 32.5161 176.9663 33 F 4.6396 7.8820 113.8465 55.8148 40.9181 175.3174 34 G 4.0386 8.3307 108.2572 45.9636 0.0000 173.4503 35 I 5.0022 7.5404 111.5835 58.5555 42.1058 177.1685 36 G 4.3968 8.9901 118.0171 45.7968 0.0000 176.0971 *38 T 4.2767 8.7793 121.4967 63.3219 70.4074 175.4151 39 E 3.9198 8.3252 120.3570 59.2818 29.3778 179.0213 40 W 4.1236 8.1152 128.0080 60.6000 30.6871 178.0189 41 R 3.4818 7.8158 117.3280 59.2482 29.3938 179.0352 42 I 3.5742 7.4985 119.3115 64.2919 37.1292 178.3142 43 I 3.5321 7.6222 121.0583 64.4297 36.6868 178.5689 44 S 3.7320 7.0475 113.8571 61.1992 62.9569 176.3889 45 V 3.5520 7.2743 121.8336 65.6830 31.0570 178.0565 46 L 3.9377 7.7899 117.9897 57.5525 41.4644 179.2888 47 S 3.9490 7.4233 113.0452 60.2816 62.9531 175.6598 48 S 4.4545 7.5551 117.1278 57.8036 63.8140 173.6090 49 A 4.7442 7.0982 122.1243 50.0439 22.0624 174.8609 50 S 4.6325 8.3393 113.7053 57.1443 65.7330 173.5386 51 D 4.1310 8.4176 118.8407 54.6572 37.8588 175.6073 52 C 4.1969 7.4092 116.3512 59.7808 27.8834 174.4499 53 S 4.3275 7.9662 120.7646 56.9480 65.3162 174.9261 54 V 3.6175 8.6169 121.1320 66.0742 31.0092 177.5561 55 Q 3.9380 8.1171 118.7844 59.2610 28.9522 178.2495 56 K 3.8831 8.0860 120.4384 59.5151 32.1354 178.8217 57 I 3.6686 7.7799 120.1524 64.3305 36.9321 178.3126 58 S 4.2485 8.1569 115.4276 60.9599 61.9915 175.9080 59 D 4.3396 8.1022 120.6749 57.4591 40.6236 178.6559 60 I 3.8484 7.5973 119.1654 64.2531 37.2407 177.9906 61 L 4.2751 8.0419 118.2920 54.8762 41.8871 178.3080 62 G 3.9621 8.3322 105.9403 45.1688 0.0000 173.5284 63 L 4.2809 7.4265 120.2343 53.7542 42.8207 176.3415 64 D 4.6936 8.3760 122.1736 53.1320 41.4367 177.6877 65 K 3.9965 8.5573 118.9790 59.4299 31.9271 179.5231 66 A 3.9721 8.0471 120.5603 54.9957 18.3987 179.3443 67 A 3.9202 8.6387 119.6832 55.2672 18.4899 180.0885 68 V 3.5057 7.7329 116.6738 66.0973 31.6552 178.0963 69 S 4.0708 8.3741 113.2799 61.4836 62.3181 176.0845 70 R 3.9079 8.1587 121.3749 59.8712 29.7524 178.6638 71 T 3.9728 8.0111 115.5614 66.4693 68.3766 177.1151 72 V 3.5945 8.3643 120.7242 65.7137 31.5114 177.9557 73 K 3.9173 8.2024 119.4431 59.4750 32.0535 178.8519 74 K 3.9868 8.0025 118.5140 59.6478 31.9925 179.3899 75 L 4.2253 8.2763 119.2576 57.5108 41.4721 179.2137 76 E 4.2121 8.4066 121.2711 58.8981 29.3964 178.7117 77 E 4.0028 8.1463 117.4670 59.1171 29.6253 178.6996 78 K 4.1124 8.0071 115.5735 55.8902 32.3555 177.2882 79 K 3.8957 7.5079 117.5910 57.6240 29.9586 176.4781 80 Y 4.7652 7.9589 119.5867 59.6541 39.1991 175.3697 81 I 5.3533 7.7961 111.3769 59.0636 41.8354 174.0660 82 E 4.8779 9.3063 119.8244 54.6562 33.3752 174.3975 83 V 4.1211 8.4095 121.6318 62.6330 32.6897 174.5709 84 N 4.7072 9.7354 128.6219 51.9017 39.5250 175.7279 85 G 3.4415 8.9314 116.4787 46.9550 0.0000 172.1502 86 H 4.0775 8.3652 117.3168 56.2482 26.9776 176.4519 87 S 4.1687 8.2732 114.3565 61.3999 62.9882 175.5533 88 E 4.6751 7.9744 118.2147 55.9643 29.8329 175.2951 89 D 4.9288 7.7316 116.8839 52.5070 45.0206 176.7363 90 K 4.3907 8.4246 122.1053 54.9676 31.0761 176.2585 91 R 4.5629 7.0698 113.7659 54.9272 32.4750 175.1283 92 T 4.2643 8.0937 109.9503 60.8622 69.7760 173.2652 93 Y 4.7884 8.5179 119.7963 57.5862 38.7021 175.1801 94 A 4.5556 9.4409 120.8204 50.4542 23.3119 174.9479 95 I 4.7973 8.6679 120.9554 60.1781 38.6724 175.3924 96 N 5.1416 8.9756 123.4918 50.9261 42.6251 174.0070 97 L 4.6341 8.4787 121.8719 55.2359 42.7145 177.3660 98 T 4.2586 8.7405 113.9794 60.1686 71.3796 175.9784 99 E 4.2119 8.6820 119.0262 56.6102 29.1125 178.5911 *101 G 4.1370 8.2111 108.2036 45.2758 0.0000 175.9880 102 Q 4.0716 8.4447 119.2718 58.8123 28.5616 178.7052 103 E 4.0328 8.4342 119.6957 59.2066 29.5224 178.9537 104 L 3.9585 8.0786 119.9277 58.4522 42.1067 178.2036 105 Y 4.2330 8.2791 119.3882 60.6495 38.4967 177.5066 106 E 3.9191 8.2486 119.0880 59.7104 29.8440 179.0510 107 V 3.7987 7.8002 110.5810 64.0020 32.0358 178.0379 108 A 3.2282 8.3069 120.5266 53.7370 18.1577 179.6780 109 S 4.0662 7.8192 113.3909 61.5099 62.9198 176.3788 110 D 4.3171 7.9454 122.1036 57.1821 40.5893 178.3694 111 F 4.1906 8.1396 120.4186 61.1690 39.4848 176.8176 112 A 4.0026 7.8250 121.7429 54.6711 18.1753 179.7223 113 I 3.6843 8.0493 118.5283 64.5544 37.1441 178.5568 114 E 3.9256 8.2000 119.4314 59.4779 29.2512 179.6730 115 R 3.7303 7.8020 118.1263 58.9321 30.1153 178.8102 116 E 3.8786 8.1373 119.3295 58.9771 29.4563 178.5401 117 K 3.8470 7.8686 118.6399 59.6224 32.4967 178.1085 118 Q 4.0571 8.1518 119.6728 59.1603 28.7780 177.7892 119 L 3.9608 7.7547 120.0515 57.6999 42.2132 178.0386 120 L 4.2370 7.4701 115.8714 54.2054 41.5612 177.7971 121 E 3.9229 7.7957 121.0120 59.6984 29.4987 178.0652 122 E 4.4928 8.2791 114.3475 56.1671 29.7873 175.5453 123 F 4.7188 8.3192 119.1080 56.2117 40.4456 176.4976 124 E 4.3346 9.3393 125.1176 55.7164 31.4347 177.9862 125 E 4.0282 8.8529 120.3144 60.0398 29.4906 179.8313 126 A 4.1392 8.0241 119.7457 54.8697 18.3750 179.4378 127 E 3.9815 8.0936 117.1595 59.3489 29.6467 179.2364 128 K 3.9544 8.3714 118.5698 59.6880 32.2627 178.9888 129 D 4.5537 8.2890 118.9743 57.6009 40.7929 178.6468 130 Q 4.0123 8.4941 120.2948 59.0102 28.9425 178.1210 131 L 3.9066 8.1875 121.5655 58.3787 42.1911 179.0185 132 F 4.2183 7.8881 117.5622 60.5596 38.7080 177.8612 133 I 3.7741 7.8843 119.3141 64.4704 36.9017 178.5308 134 L 4.0118 8.0928 119.8391 57.7375 41.3772 179.5544 135 L 3.9857 8.1673 119.1449 57.6472 41.4908 179.5282 136 K 4.0172 8.1424 119.6052 59.2636 32.1572 178.9281 137 K 3.9230 8.3211 119.0598 59.5155 31.9189 179.1514 138 L 3.9572 8.1114 119.1558 57.9612 41.4635 179.5984 139 R 3.8818 8.4033 118.9038 59.4916 29.6940 178.3573 140 N 4.3683 8.1686 115.7767 56.0104 38.8120 177.0624 141 K 4.0839 8.0381 121.1058 59.3817 32.0848 178.9739 142 V 3.5670 7.8326 117.7745 66.2657 31.5456 177.4965 143 D 4.4802 7.7199 117.0722 56.9480 40.6486 177.1646 144 Q 4.3174 7.9865 122.7088 56.0006 29.0476 175.3577 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 4 I 8.02 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 1.07 0.91 0.00 0.00 5 N 8.70 4.51 0.00 2.76 2.74 0.00 0.00 6.91 7.06 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 6 I 8.91 4.59 1.85 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 1.41 0.75 0.89 0.00 0.00 7 D 8.44 4.39 0.00 2.82 2.79 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 8 R 7.87 4.42 0.00 1.79 1.92 0.00 3.36 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 1.56 1.53 0.00 9 H 8.03 4.59 0.00 3.21 3.30 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.33 3.99 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.01 3.82 4.40 0.00 0.00 0.00 0.00 0.00 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 12 A 8.13 3.95 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 13 Q 8.24 4.11 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 14 I 8.11 3.96 1.98 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 1.53 0.77 0.92 0.00 0.00 15 N 8.36 4.62 0.00 2.87 2.83 0.00 0.00 6.60 6.46 0.00 0.00 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 7.90 4.14 0.00 1.82 1.96 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.37 4.01 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 19 N 8.32 4.43 0.00 2.75 2.91 0.00 0.00 7.06 7.39 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 20 K 7.98 4.17 0.00 1.83 1.81 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.51 7.81 21 L 7.89 4.07 0.00 1.89 1.86 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *23 L 7.82 4.30 0.00 1.94 1.77 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.18 4.06 0.00 1.97 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.71 7.81 25 S 8.49 4.29 0.00 4.03 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 26 S 8.25 4.24 0.00 3.97 4.14 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 0.00 0.00 0.00 0.00 27 T 7.87 3.88 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 1.23 0.00 0.00 28 A 8.19 3.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.49 4.07 0.00 3.32 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 30 T 8.09 4.18 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 1.25 0.00 0.00 31 Q 8.17 3.99 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 32 K 7.72 3.75 0.00 1.13 0.91 0.00 0.72 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.57 7.81 33 F 7.88 4.64 0.00 3.20 2.99 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 0.00 0.00 0.00 34 G 8.33 4.04 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 0.00 0.00 0.00 35 I 7.54 5.00 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.12 0.92 0.00 0.00 36 G 8.99 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.78 4.28 4.26 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 1.21 0.00 0.00 39 E 8.33 3.92 0.00 2.23 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 2.45 2.42 0.00 40 W 8.12 4.12 0.00 2.91 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.48 0.00 1.93 1.85 0.00 3.20 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 1.70 1.73 0.00 42 I 7.50 3.57 1.92 0.00 0.00 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 1.46 0.73 0.85 0.00 0.00 43 I 7.62 3.53 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.50 0.91 0.00 0.00 44 S 7.05 3.73 0.00 3.68 2.65 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 0.00 0.00 0.00 45 V 7.27 3.55 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 0.92 0.00 0.00 0.86 0.00 0.00 46 L 7.79 3.94 0.00 1.62 1.61 0.88 0.98 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 47 S 7.42 3.95 0.00 2.96 2.96 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 48 S 7.56 4.45 0.00 3.88 3.85 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 49 A 7.10 4.74 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.34 4.63 0.00 3.92 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 51 D 8.42 4.13 0.00 2.80 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 52 C 7.41 4.20 0.00 2.94 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 53 S 7.97 4.33 0.00 3.87 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.62 3.62 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 1.09 0.00 0.00 1.05 0.00 0.00 55 Q 8.12 3.94 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 56 K 8.09 3.88 0.00 1.81 1.84 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.43 7.81 57 I 7.78 3.67 1.85 0.00 0.00 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 1.34 0.47 0.86 0.00 0.00 58 S 8.16 4.25 0.00 3.88 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 59 D 8.10 4.34 0.00 2.82 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 60 I 7.60 3.85 1.94 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 1.48 0.55 0.86 0.00 0.00 61 L 8.04 4.28 0.00 1.58 1.69 0.86 0.80 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 62 G 8.33 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 63 L 7.43 4.28 0.00 1.72 1.59 0.92 1.02 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 64 D 8.38 4.69 0.00 2.95 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 65 K 8.56 4.00 0.00 1.83 1.92 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.52 7.81 66 A 8.05 3.97 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 67 A 8.64 3.92 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 68 V 7.73 3.51 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 0.90 0.00 0.00 1.01 0.00 0.00 69 S 8.37 4.07 0.00 3.97 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 70 R 8.16 3.91 0.00 1.99 2.07 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 71 T 8.01 3.97 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 1.23 0.00 0.00 72 V 8.36 3.59 2.15 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 1.12 0.00 0.00 1.00 0.00 0.00 73 K 8.20 3.92 0.00 2.00 1.98 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.70 7.81 74 K 8.00 3.99 0.00 2.06 1.90 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.66 7.81 75 L 8.28 4.23 0.00 1.91 1.85 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.41 4.21 0.00 2.14 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 0.00 2.31 2.22 0.00 77 E 8.15 4.00 0.00 2.18 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 2.47 0.00 78 K 8.01 4.11 0.00 1.80 1.59 0.00 2.04 0.00 0.00 1.96 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.65 7.81 79 K 7.51 3.90 0.00 1.74 1.85 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.30 7.81 80 Y 7.96 4.77 0.00 3.09 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 81 I 7.80 5.35 1.98 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 1.45 1.01 0.96 0.00 0.00 82 E 9.31 4.88 0.00 1.95 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 2.35 2.25 0.00 83 V 8.41 4.12 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 0.82 0.00 0.00 0.94 0.00 0.00 84 N 9.74 4.71 0.00 2.69 2.73 0.00 0.00 6.69 8.16 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 85 G 8.93 3.44 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 0.00 0.00 0.00 0.00 86 H 8.37 4.08 0.00 3.36 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.27 4.17 0.00 3.98 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 88 E 7.97 4.68 0.00 1.98 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 2.25 2.32 0.00 89 D 7.73 4.93 0.00 2.77 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 90 K 8.42 4.39 0.00 1.73 1.78 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.42 7.81 91 R 7.07 4.56 0.00 1.77 1.78 0.00 2.91 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.52 0.00 92 T 8.09 4.26 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 1.20 0.00 0.00 93 Y 8.52 4.79 0.00 3.11 3.02 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 94 A 9.44 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.67 4.80 1.88 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 1.48 0.99 0.93 0.00 0.00 96 N 8.98 5.14 0.00 2.58 2.64 0.00 0.00 6.68 7.17 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 97 L 8.48 4.63 0.00 1.51 1.63 0.79 0.86 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 98 T 8.74 4.26 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 99 E 8.68 4.21 0.00 2.04 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 2.42 2.35 0.00 *101 G 8.21 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.44 4.07 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 103 E 8.43 4.03 0.00 2.13 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 2.39 2.55 0.00 104 L 8.08 3.96 0.00 1.82 1.87 0.83 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 8.28 4.23 0.00 3.16 3.18 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 0.00 0.00 0.00 0.00 106 E 8.25 3.92 0.00 2.21 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 0.00 2.36 2.41 0.00 107 V 7.80 3.80 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 0.83 0.00 0.00 1.08 0.00 0.00 108 A 8.31 3.23 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 0.00 109 S 7.82 4.07 0.00 3.84 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 0.00 110 D 7.95 4.32 0.00 2.75 2.79 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 0.00 111 F 8.14 4.19 0.00 3.09 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 0.00 112 A 7.82 4.00 1.52 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 0.00 0.00 113 I 8.05 3.68 2.01 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 1.55 0.74 0.91 0.00 0.00 114 E 8.20 3.93 0.00 1.99 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 2.48 2.49 0.00 115 R 7.80 3.73 0.00 1.73 1.78 0.00 2.21 0.00 0.00 2.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.85 0.00 116 E 8.14 3.88 0.00 2.12 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 0.00 2.34 2.36 0.00 117 K 7.87 3.85 0.00 1.86 1.98 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 118 Q 8.15 4.06 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 119 L 7.75 3.96 0.00 1.71 1.82 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.47 4.24 0.00 1.64 1.39 0.82 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.80 3.92 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 2.37 2.52 0.00 122 E 8.28 4.49 0.00 2.00 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 2.33 2.29 0.00 123 F 8.32 4.72 0.00 3.04 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 0.00 124 E 9.34 4.33 0.00 1.99 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 2.33 2.48 0.00 125 E 8.85 4.03 0.00 2.01 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 2.37 0.00 126 A 8.02 4.14 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 0.00 127 E 8.09 3.98 0.00 2.31 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 2.32 2.37 0.00 128 K 8.37 3.95 0.00 2.12 2.03 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.39 1.82 7.81 129 D 8.29 4.55 0.00 2.92 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 0.00 130 Q 8.49 4.01 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 131 L 8.19 3.91 0.00 1.91 1.54 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 132 F 7.89 4.22 0.00 3.18 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 0.00 133 I 7.88 3.77 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.78 0.94 0.00 0.00 134 L 8.09 4.01 0.00 1.70 1.72 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.17 3.99 0.00 1.72 1.74 0.82 0.65 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 0.00 136 K 8.14 4.02 0.00 1.98 1.99 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 137 K 8.32 3.92 0.00 2.02 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.64 7.81 138 L 8.11 3.96 0.00 1.86 1.72 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.40 3.88 0.00 2.01 2.18 0.00 3.10 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 1.64 1.69 0.00 140 N 8.17 4.37 0.00 2.91 2.86 0.00 0.00 6.98 7.13 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 0.00 141 K 8.04 4.08 0.00 1.89 1.95 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 142 V 7.83 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 0.90 0.00 0.00 1.00 0.00 0.00 143 D 7.72 4.48 0.00 2.81 2.73 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 0.00 0.00 0.00 144 Q 7.99 4.32 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 * Residues marked with a * may have inaccurate shift predictions.