NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 N 4.7155 8.2827 118.2234 52.8417 38.8766 173.3703 23 V 3.3926 8.5031 115.7556 66.5192 31.4738 177.4341 24 I 3.6725 8.6941 120.1944 64.6165 37.4342 177.3003 25 D 4.3944 7.9435 118.3744 57.7854 40.6947 178.6244 26 H 4.0196 8.1269 118.3442 59.3212 29.9491 177.2391 27 V 3.4024 7.7242 119.9918 65.9490 31.1151 177.6368 28 R 2.9249 7.5691 118.1135 59.5061 29.7837 178.0412 29 D 4.2594 7.7925 118.2960 57.7300 40.7009 178.9630 30 M 3.9084 7.7677 118.7410 58.0876 31.9193 178.4266 31 A 3.7322 7.7751 120.6324 55.1254 18.3412 179.1904 32 A 3.8757 7.8920 117.8756 55.5519 18.5453 179.5923 33 A 4.0598 7.9008 117.6913 53.5404 18.3562 178.7094 34 G 3.7463 8.1047 105.2634 46.0464 0.0000 175.4445 35 L 4.2866 7.7445 122.5565 53.8295 39.3712 176.8936 36 H 4.2356 7.9481 120.4654 58.4676 28.1340 176.9931 37 S 4.2279 8.1209 115.2341 61.1297 62.6295 175.9536 38 N 4.1813 7.9903 120.6396 56.9630 38.9158 177.2025 39 V 3.7601 7.6138 113.1630 63.7128 31.5324 178.6012 40 R 3.8750 7.9866 119.0787 59.3388 29.9681 177.8222 41 L 3.9263 7.2948 118.0621 58.5915 41.9555 178.3759 42 L 3.9172 7.5943 119.0724 58.1711 42.0610 178.7460 43 S 4.0842 8.6171 114.3006 61.7993 62.7064 176.4397 44 S 3.8375 8.2165 116.2475 61.3126 62.1991 176.1382 45 L 4.1044 7.7815 122.7202 57.1706 41.3343 179.6930 46 L 4.1102 8.2887 119.1522 57.6945 41.4986 179.3010 47 L 3.9893 8.3510 119.5470 58.2281 41.6536 179.7471 48 T 3.8693 7.9767 109.4078 64.7522 68.5569 176.2910 49 L 4.0579 8.0526 121.7044 57.5761 41.5032 179.0993 50 S 4.2166 8.5346 111.8156 61.8571 62.3921 175.4374 51 N 4.4458 8.2198 117.6722 56.8237 38.4389 176.7722 52 N 4.6521 7.8589 115.3592 54.2833 39.8569 175.2982 53 N 5.0041 7.9104 118.1217 50.0562 38.5716 173.1654 54 P 4.4065 0.0000 0.0000 64.7951 31.7537 177.7925 55 E 4.5560 7.8506 116.5616 56.0124 30.1755 176.4358 56 L 3.9252 9.0936 123.3673 56.9541 42.2921 177.0965 57 F 5.1989 7.6056 114.8513 54.9946 42.1736 175.7360 58 S 4.3450 8.9868 120.2850 57.9532 64.5627 173.8666 59 P 4.2837 0.0000 0.0000 65.7464 31.2208 177.1644 60 P 4.3392 0.0000 0.0000 65.7223 31.1895 178.7449 61 Q 4.0082 8.0056 116.4496 58.6531 28.6845 178.3971 62 K 3.7924 8.5837 120.0293 59.6704 32.1287 178.3709 63 Y 4.1392 7.9988 119.4556 60.9391 38.6479 178.0563 64 Q 3.2351 7.8504 118.4246 58.9711 28.8574 178.6949 65 L 3.8983 7.8092 119.6222 58.1968 41.6283 179.5280 66 L 3.8492 7.8868 118.1704 57.9432 41.6656 179.8338 67 V 3.3834 7.2896 117.6515 66.3148 31.2586 177.5264 68 Y 4.5968 7.5999 118.0023 60.7318 37.5824 178.3486 69 H 4.0865 8.7602 119.1626 59.3384 30.0584 176.9351 70 A 3.6025 8.0258 122.8689 55.4034 17.4205 179.3357 71 D 4.4324 8.1787 117.3824 57.4520 40.9392 179.2135 72 S 4.1857 7.8229 114.7729 61.5258 63.0564 176.5380 73 L 3.9001 8.0907 122.9073 57.0264 40.9910 179.0998 74 F 3.9924 7.7990 119.9532 60.7938 39.5156 176.8102 75 H 4.2464 8.3264 117.5658 58.4386 30.2030 175.2972 76 D 4.2689 7.2876 120.0653 54.7871 41.7747 177.6546 77 K 3.5200 7.9592 122.6061 55.5345 31.1093 179.4076 78 E 4.2838 7.5738 121.1399 54.8323 28.7008 176.2676 79 Y 4.0867 7.4747 120.9853 60.7840 38.6515 177.0099 80 R 3.9478 8.1552 119.1716 59.8334 30.1790 178.0919 81 N 4.3425 8.1343 115.2922 56.1002 38.6000 177.0430 82 A 3.7713 8.1825 122.3832 55.0681 18.4210 179.5419 83 V 3.5614 8.3406 117.0689 66.4534 31.5138 178.3155 84 S 4.1499 7.9218 114.1048 61.7545 62.6665 177.0131 85 K 3.9806 7.8892 120.8197 59.5492 31.7581 179.0237 86 Y 4.3052 8.3605 117.6202 61.4774 37.7619 178.9850 87 T 4.0602 8.3677 110.8114 64.9934 68.9134 176.6262 88 M 4.0677 8.3218 121.4482 58.1794 31.9505 178.0557 89 A 4.1127 8.2661 121.0865 55.4799 18.3693 179.4323 90 L 4.0598 8.2945 116.4725 58.1560 41.6111 179.7676 91 Q 3.8868 8.2073 118.4662 58.9793 29.1884 177.9432 92 Q 4.1430 8.1464 120.6102 58.6916 29.1543 177.3902 93 K 3.7140 8.2853 118.5197 58.1360 32.1821 177.6143 94 K 4.2217 7.3428 116.1920 58.2534 32.4792 177.6391 95 A 4.2147 8.1604 122.4498 54.8056 19.4118 179.5388 96 L 4.4665 7.3315 121.3570 54.5706 41.6842 175.1192 *117 C 4.5679 8.2989 119.6336 59.2042 30.0076 173.8011 118 L 4.3934 8.4322 119.3959 53.4154 42.2060 174.8599 119 P 4.4026 0.0000 0.0000 62.2783 32.1899 176.8053 120 S 4.1499 8.6451 115.2778 58.6184 63.4525 174.7163 121 E 4.0606 9.0298 129.4577 59.7245 29.3262 178.9670 122 I 3.7972 7.6099 119.9687 64.2608 37.0934 178.2573 123 E 3.9942 8.0115 119.1515 59.1755 29.3540 179.1138 124 V 3.3597 7.8642 118.2813 66.0549 31.5735 177.9155 125 K 3.7858 8.0653 118.0028 60.0194 31.8324 178.2537 126 Y 4.0248 7.9476 119.3652 60.6549 38.7573 178.0089 127 K 3.4943 8.0861 119.1515 59.4345 32.1338 178.9171 128 L 3.5335 7.8778 120.2134 58.0792 41.8941 179.0318 129 A 4.1333 7.9227 120.6732 55.0339 18.2483 179.4526 130 E 3.7413 7.9943 117.6801 59.5308 29.3560 179.3615 131 C 4.1389 8.0940 116.7209 63.1477 28.2087 175.5543 132 Y 4.3833 7.5739 118.2103 61.5914 37.3845 178.9773 133 T 3.8071 8.1696 116.6096 66.7629 68.4014 176.5980 134 V 3.3488 7.3882 118.7904 66.1217 31.5011 177.6437 135 L 4.0998 7.8881 116.4595 55.0232 41.5017 177.6082 136 K 4.0456 8.2204 117.5064 57.9332 30.5674 177.8626 137 Q 4.3429 8.0375 119.8190 54.3837 25.1848 175.6855 138 D 4.3353 7.7913 124.3054 57.4416 41.5342 178.4375 139 K 3.8238 8.0245 119.2951 59.8890 32.0608 178.3170 140 D 4.0235 7.7393 118.1903 56.7524 40.7536 178.5026 141 A 4.1051 7.7655 121.3835 55.1972 18.3792 179.5747 142 I 3.5293 8.2194 118.4038 64.5790 37.2994 178.3430 143 A 3.9368 7.9814 121.3994 55.4240 17.9445 179.5656 144 I 3.7773 7.4112 115.4489 63.8612 38.3578 177.9882 145 L 4.1314 7.8657 119.6375 57.9688 41.3860 178.6143 146 D 4.6866 8.6882 117.1540 57.5510 41.1049 178.2040 147 G 3.8292 7.8129 103.1407 44.9186 0.0000 173.3204 148 I 4.1841 7.6219 123.3094 59.3267 38.1538 174.0679 149 P 4.2712 0.0000 0.0000 62.9252 32.0317 177.1337 150 S 4.1312 8.9880 117.3119 61.6203 62.9045 176.6459 151 R 3.8658 8.0821 118.6091 58.5794 29.7883 177.1005 152 Q 4.4505 8.0731 114.1123 55.4398 29.0752 175.3633 153 R 4.2652 7.8547 119.2207 55.3221 30.5155 177.3670 154 T 4.1676 8.1982 113.9592 60.3986 71.0746 173.4116 155 P 4.1842 0.0000 0.0000 65.9369 31.3138 178.5932 156 K 3.7915 8.0225 116.3977 59.8357 31.8554 179.0530 157 I 3.8550 7.2395 118.4991 64.6463 36.9998 178.2822 158 N 4.3577 8.3917 117.3829 56.4793 38.2938 177.5152 159 M 4.0185 8.2793 120.1576 58.2584 32.1248 178.0670 160 L 3.8850 8.0078 120.5038 58.4362 41.9456 178.7234 161 L 3.5187 7.7501 116.8749 57.8102 41.9154 178.9599 162 A 4.2916 8.0817 120.3255 55.5718 18.3860 179.1039 163 N 4.2332 8.5187 114.9017 56.8129 38.5360 177.6467 164 L 4.0753 7.8834 118.2224 57.0491 41.7179 178.1455 165 Y 4.7635 7.5730 114.9804 58.4636 38.2087 175.5513 166 K 4.2320 7.8899 124.8278 56.4994 32.3536 176.3051 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 22 N 8.28 4.72 0.00 2.94 3.11 0.00 0.00 5.75 6.79 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 23 V 8.50 3.39 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 0.00 0.00 1.11 0.00 0.00 1.02 0.00 0.00 24 I 8.69 3.67 1.90 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.81 1.01 0.00 0.00 25 D 7.94 4.39 0.00 2.94 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 26 H 8.13 4.02 0.00 3.25 3.51 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 27 V 7.72 3.40 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 0.77 0.00 0.00 0.91 0.00 0.00 28 R 7.57 2.92 0.00 1.86 1.88 0.00 3.15 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.72 0.00 29 D 7.79 4.26 0.00 2.81 2.62 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 30 M 7.77 3.91 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 31 A 7.78 3.73 1.17 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 0.00 0.00 32 A 7.89 3.88 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 33 A 7.90 4.06 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 34 G 8.10 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 35 L 7.74 4.29 0.00 1.70 1.56 0.87 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 H 7.95 4.24 0.00 2.96 3.26 0.00 5.63 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 37 S 8.12 4.23 0.00 4.05 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 0.00 38 N 7.99 4.18 0.00 2.75 2.98 0.00 0.00 7.25 7.71 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 39 V 7.61 3.76 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 0.66 0.00 0.00 1.00 0.00 0.00 40 R 7.99 3.87 0.00 1.89 1.93 0.00 3.19 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 41 L 7.29 3.93 0.00 1.73 1.67 0.92 0.54 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 42 L 7.59 3.92 0.00 1.91 1.62 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.62 4.08 0.00 4.10 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 44 S 8.22 3.84 0.00 4.08 4.11 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 45 L 7.78 4.10 0.00 2.00 1.73 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.29 4.11 0.00 1.85 1.76 0.94 0.89 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 47 L 8.35 3.99 0.00 1.83 1.68 0.80 0.63 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 48 T 7.98 3.87 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 49 L 8.05 4.06 0.00 2.08 1.80 0.96 0.53 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 50 S 8.53 4.22 0.00 4.26 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 51 N 8.22 4.45 0.00 2.91 2.91 0.00 0.00 7.18 8.22 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 52 N 7.86 4.65 0.00 2.79 2.88 0.00 0.00 6.86 9.12 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 53 N 7.91 5.00 0.00 2.64 2.64 0.00 0.00 6.56 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 54 P 0.00 4.41 0.00 2.19 2.21 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 55 E 7.85 4.56 0.00 1.94 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 2.22 2.26 0.00 56 L 9.09 3.93 0.00 1.40 1.58 0.60 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.61 5.20 0.00 3.09 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 58 S 8.99 4.34 0.00 4.06 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 59 P 0.00 4.28 0.00 2.17 2.15 0.00 3.64 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 2.15 2.24 0.00 60 P 0.00 4.34 0.00 2.20 2.13 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 61 Q 8.01 4.01 0.00 2.31 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 62 K 8.58 3.79 0.00 1.98 1.91 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.57 1.79 7.81 63 Y 8.00 4.14 0.00 3.00 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 64 Q 7.85 3.24 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.45 0.00 0.00 0.00 0.00 0.00 2.30 2.68 0.00 65 L 7.81 3.90 0.00 1.73 1.65 0.68 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.89 3.85 0.00 1.73 1.64 0.97 0.66 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 67 V 7.29 3.38 1.44 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 0.92 0.00 0.00 0.27 0.00 0.00 68 Y 7.60 4.60 0.00 3.12 2.86 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 69 H 8.76 4.09 0.00 3.23 3.38 0.00 5.80 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 70 A 8.03 3.60 0.32 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 71 D 8.18 4.43 0.00 2.96 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 72 S 7.82 4.19 0.00 4.01 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 73 L 8.09 3.90 0.00 1.73 1.64 0.84 1.03 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 74 F 7.80 3.99 0.00 3.24 3.21 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 75 H 8.33 4.25 0.00 2.97 3.38 0.00 6.02 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.29 4.27 0.00 2.74 2.48 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 77 K 7.96 3.52 0.00 1.49 1.32 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.17 1.36 7.81 78 E 7.57 4.28 0.00 1.94 1.75 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 2.12 2.15 0.00 79 Y 7.47 4.09 0.00 2.99 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 80 R 8.16 3.95 0.00 1.97 1.97 0.00 3.28 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 1.84 0.00 81 N 8.13 4.34 0.00 2.85 2.81 0.00 0.00 6.97 8.07 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 82 A 8.18 3.77 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 83 V 8.34 3.56 2.31 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 1.11 0.00 0.00 0.79 0.00 0.00 84 S 7.92 4.15 0.00 4.05 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 85 K 7.89 3.98 0.00 1.54 1.70 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.63 7.81 86 Y 8.36 4.31 0.00 3.15 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 87 T 8.37 4.06 4.32 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 1.39 0.00 0.00 88 M 8.32 4.07 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 89 A 8.27 4.11 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.29 4.06 0.00 1.79 1.80 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.21 3.89 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 92 Q 8.15 4.14 0.00 2.28 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.60 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 93 K 8.29 3.71 0.00 0.84 1.65 0.00 0.98 0.00 0.00 1.45 0.00 0.00 3.06 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.22 7.81 94 K 7.34 4.22 0.00 2.02 1.83 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 95 A 8.16 4.21 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 96 L 7.33 4.47 0.00 1.54 1.36 0.74 0.85 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 *117 C 8.30 4.57 0.00 3.14 2.91 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 0.00 118 L 8.43 4.39 0.00 1.79 1.98 0.90 1.08 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 0.00 119 P 0.00 4.40 0.00 2.12 1.99 0.00 3.78 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.42 0.00 120 S 8.65 4.15 0.00 3.92 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 0.00 121 E 9.03 4.06 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 2.40 2.44 0.00 122 I 7.61 3.80 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 1.52 0.27 0.89 0.00 0.00 123 E 8.01 3.99 0.00 2.19 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 2.36 2.34 0.00 124 V 7.86 3.36 2.28 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 1.03 0.00 0.00 1.04 0.00 0.00 125 K 8.07 3.79 0.00 2.03 1.89 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.70 7.81 126 Y 7.95 4.02 0.00 3.09 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 0.00 127 K 8.09 3.49 0.00 1.22 1.09 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.04 1.41 7.81 128 L 7.88 3.53 0.00 1.45 1.72 0.64 1.26 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 0.00 129 A 7.92 4.13 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 0.00 130 E 7.99 3.74 0.00 1.99 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 1.98 1.57 0.00 131 C 8.09 4.14 0.00 2.98 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 0.00 132 Y 7.57 4.38 0.00 3.17 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 0.00 133 T 8.17 3.81 4.31 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 1.15 0.00 0.00 134 V 7.39 3.35 1.24 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 0.19 0.00 0.00 0.64 0.00 0.00 135 L 7.89 4.10 0.00 1.93 1.76 1.02 1.21 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 0.00 136 K 8.22 4.05 0.00 1.87 1.93 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.36 7.81 137 Q 8.04 4.34 0.00 2.17 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.89 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 138 D 7.79 4.34 0.00 2.73 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 0.00 139 K 8.02 3.82 0.00 1.78 1.74 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.50 7.81 140 D 7.74 4.02 0.00 1.85 1.54 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 0.00 141 A 7.77 4.11 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 0.00 142 I 8.22 3.53 2.04 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 1.22 0.71 1.00 0.00 0.00 143 A 7.98 3.94 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 0.00 144 I 7.41 3.78 1.99 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 0.93 1.07 0.00 0.00 145 L 7.87 4.13 0.00 1.88 1.71 0.93 0.76 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 0.00 146 D 8.69 4.69 0.00 2.72 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 0.00 147 G 7.81 3.83 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 0.00 0.00 0.00 148 I 7.62 4.18 1.97 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 1.32 0.77 0.92 0.00 0.00 149 P 0.00 4.27 0.00 2.17 2.01 0.00 3.62 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.11 0.00 150 S 8.99 4.13 0.00 4.01 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 0.00 151 R 8.08 3.87 0.00 1.82 2.07 0.00 3.18 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 152 Q 8.07 4.45 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 153 R 7.85 4.27 0.00 1.81 1.89 0.00 3.19 0.00 0.00 3.44 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 154 T 8.20 4.17 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 1.14 0.00 0.00 155 P 0.00 4.18 0.00 2.13 2.14 0.00 3.57 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 156 K 8.02 3.79 0.00 1.41 1.25 0.00 0.82 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.38 7.81 157 I 7.24 3.86 2.01 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 1.69 0.46 0.96 0.00 0.00 158 N 8.39 4.36 0.00 2.88 2.90 0.00 0.00 7.09 7.92 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 0.00 159 M 8.28 4.02 0.00 2.08 2.27 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 2.86 2.55 0.00 160 L 8.01 3.89 0.00 2.00 1.70 0.72 0.48 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 0.00 161 L 7.75 3.52 0.00 1.79 1.56 0.98 0.52 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 0.00 162 A 8.08 4.29 1.44 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 0.00 163 N 8.52 4.23 0.00 2.85 2.88 0.00 0.00 7.13 6.75 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 0.00 164 L 7.88 4.08 0.00 1.35 1.52 0.79 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 165 Y 7.57 4.76 0.00 3.14 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 0.00 166 K 7.89 4.23 0.00 1.92 1.73 0.00 1.69 0.00 0.00 1.97 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.