NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3403 8.0327 110.9439 61.1728 70.4832 174.4213 3 D 4.1603 8.7097 120.3100 57.4760 41.2004 177.1231 4 Q 4.0044 8.9041 121.9873 60.5525 28.4458 180.1845 5 S 4.5159 7.7086 115.7308 61.3762 62.8201 177.0251 6 V 3.5915 7.8435 121.0960 65.7822 31.2921 177.9307 7 R 3.8563 8.1708 118.6623 59.5972 29.8016 178.5807 8 I 3.6321 7.6491 119.0286 64.4390 37.1127 178.5709 9 I 3.5422 7.7119 120.6068 64.3561 36.8395 178.4426 10 E 3.9091 8.5638 119.6669 59.1241 29.3699 179.2405 11 A 3.8091 8.0131 120.5871 55.0478 18.4555 179.5039 12 A 3.2659 7.8787 119.4916 54.9777 18.1358 179.7935 13 L 3.6647 7.6930 116.5293 58.0073 41.7830 179.5871 14 R 3.9595 7.6969 116.7545 59.2635 30.1145 178.8666 15 L 4.0577 7.4737 118.3615 57.4887 41.6194 180.1259 16 Y 4.3574 7.3669 117.5742 57.5924 37.6064 177.5665 *18 K 4.3455 8.0940 120.8452 55.8423 34.2752 175.9608 19 K 4.6412 7.5842 115.4885 53.9298 36.0846 174.0018 20 P 4.1555 0.0000 0.0000 62.4624 31.8269 175.3488 21 P 4.1920 0.0000 0.0000 66.1258 31.2413 178.3556 22 H 4.1773 7.7280 112.6450 58.4156 28.6586 175.9312 23 E 4.1926 7.9074 117.9590 56.4983 29.7703 175.9621 24 V 4.2323 7.6805 118.9817 62.6220 32.6454 175.9835 25 S 4.8236 8.4217 124.9154 57.6501 66.1443 175.9726 26 I 3.6786 8.3468 126.0738 65.8341 35.1489 179.8010 27 E 4.2012 8.1388 119.2369 61.3073 29.6206 181.3345 28 E 4.1625 8.0913 119.9101 59.1038 29.4696 179.6738 29 I 3.5239 7.6811 119.6767 64.0199 37.1569 178.1069 30 A 3.8973 7.9595 121.6782 55.2362 17.9182 179.6252 31 R 3.7846 7.9523 116.9373 59.6424 29.9671 178.3580 32 E 3.9247 8.0420 117.5473 59.0901 29.7463 178.1207 33 A 4.0428 8.3475 119.1727 51.9452 19.5751 176.8046 34 K 3.7292 7.7915 114.0589 56.8118 29.4848 175.2696 35 V 4.4295 7.8622 118.4342 61.0526 35.5041 175.2199 36 S 4.5348 8.3466 123.0514 59.5918 64.4396 176.5321 37 K 4.2062 8.5973 121.4023 60.0358 31.8920 179.4061 38 S 4.2389 8.3095 113.1626 61.7780 62.0876 176.1071 39 L 4.1218 7.8506 122.0389 57.7936 41.8091 178.8032 40 I 3.8350 7.6072 119.5438 64.5794 36.9372 178.4960 41 F 4.7749 8.4377 118.4532 59.9640 38.7584 176.7816 42 Y 4.2349 8.0813 118.0448 59.8999 38.6421 176.1735 43 H 4.4953 7.7301 114.6901 54.7365 30.7373 174.6523 44 F 4.8962 8.0312 119.2367 55.1965 42.5510 175.3186 45 E 4.0635 9.2427 126.3697 59.1619 29.8400 176.7234 46 S 4.8520 7.7546 111.2349 56.3526 66.9319 175.1257 47 K 3.9409 8.7273 120.4827 59.7811 31.6496 179.2789 48 Q 3.9944 8.0941 119.2410 58.9421 29.1266 177.9129 49 K 3.9942 7.8075 119.4412 59.5390 32.2332 178.4713 50 L 3.6960 8.0021 120.6272 57.9027 41.8445 178.7014 51 L 3.8271 8.0601 120.2427 58.1215 41.8054 178.7862 52 E 3.9922 8.0893 117.2307 59.6110 29.5234 178.9498 53 E 4.2116 8.1814 117.0264 59.3089 29.7755 178.9727 54 A 4.2714 8.3659 121.0733 55.0730 18.4487 180.1702 55 V 3.7324 7.8713 112.6795 64.4783 31.2714 176.9406 *57 H 4.6268 8.1202 118.3114 55.8907 31.4917 174.9913 58 A 4.0193 8.2967 119.8913 55.4985 18.2544 179.3614 59 F 4.5999 7.9246 114.6996 60.6062 39.0241 177.6616 60 R 4.2250 8.2218 119.5611 59.4338 31.5741 178.9294 61 K 4.7711 8.0201 126.1757 56.5026 27.1196 178.5398 *64 E 4.5244 7.9779 122.2242 55.5908 31.9635 178.0362 65 E 4.6188 8.0746 115.3928 55.8539 29.7887 176.3633 66 F 4.5337 7.8847 123.0643 56.6682 38.8949 174.1394 67 N 4.6444 7.4610 123.2331 49.8861 38.9759 171.9769 68 P 4.2466 0.0000 0.0000 62.6428 32.0411 177.8113 69 R 4.0623 8.9553 125.0242 57.9596 30.2217 177.0846 70 S 4.5949 7.2956 113.2709 55.2099 66.6017 180.6237 71 V 3.5190 8.2075 119.8805 66.4888 31.0573 178.1453 72 E 4.0182 8.0886 117.0514 59.6934 29.3906 178.9848 73 E 4.0057 7.9108 118.1847 58.7097 29.4064 179.5960 74 V 3.7606 7.6117 118.2757 65.8898 31.6654 178.0462 75 V 3.6827 7.7504 117.5085 66.3040 31.4009 177.6331 76 D 4.4284 8.4233 118.7595 57.5569 40.6837 178.3421 77 Y 4.1866 8.4458 120.1185 60.6090 38.9839 178.2359 78 G 3.7211 8.3622 106.6510 48.0959 0.0000 175.7593 79 I 3.9232 8.2509 123.2484 63.8136 36.8613 178.6635 80 G 3.6433 8.1027 105.8875 47.8223 0.0000 175.1923 81 F 4.2939 8.0941 122.8276 61.1215 39.2359 177.2988 82 I 3.5517 7.5204 117.5898 64.2403 37.0034 177.8996 83 A 4.1177 7.9079 119.6683 53.0208 18.3919 177.5451 84 E 3.9313 6.8632 116.6361 55.5637 30.4082 177.0439 85 R 3.9823 8.3182 119.6357 56.4222 30.9657 178.0627 86 R 3.7711 8.6595 123.5762 59.5903 30.6834 178.1381 87 E 4.1154 8.2544 116.9358 59.0350 29.1043 179.0943 88 F 4.0837 8.0010 120.2453 61.3606 39.6302 176.8316 89 I 3.8125 7.7674 117.4209 64.6213 37.0141 177.8472 90 E 4.1943 8.2603 118.2577 58.5768 30.8467 178.8520 91 F 4.4395 7.9051 121.8159 58.3036 35.5568 174.2530 *94 Y 4.3672 7.6729 123.2665 57.0774 40.9942 176.5122 95 A 3.6595 7.9473 122.7649 55.2079 18.4251 179.6079 96 L 4.0299 7.9818 114.1693 57.8093 41.8837 178.8870 97 S 4.1170 7.5659 112.5998 61.0136 63.1186 174.9675 98 Q 4.1817 7.2470 117.7326 55.8046 28.3274 175.7613 99 V 4.4272 7.1327 111.0893 59.3319 34.2114 176.4200 100 R 4.0704 8.1267 121.3473 55.9074 31.8301 177.7704 101 I 3.6054 8.3911 122.2418 64.4802 37.8889 178.1316 102 E 3.9133 8.0255 118.8023 59.3499 29.1738 178.7321 103 E 3.9001 7.9844 117.8140 58.9962 29.8129 178.1609 104 L 3.8995 7.6152 119.6226 58.2008 42.6211 178.5538 105 E 4.2377 8.4691 121.0967 59.8137 29.2870 180.0978 106 R 4.0332 7.8599 116.9918 59.3683 29.0236 180.6444 *108 F 4.6790 8.0546 123.9442 59.1457 41.3506 177.3950 109 G 3.6496 8.2033 107.0292 47.8533 0.0000 175.5817 110 E 3.9536 8.3317 120.3108 58.7085 29.5594 179.1600 111 A 4.0765 7.7237 121.2684 54.9392 18.5764 179.0152 112 L 3.7297 7.9383 121.7413 58.9213 42.1195 179.5650 113 E 3.9865 8.3495 118.3368 61.1719 29.3833 181.2462 114 K 4.1325 7.5324 118.2873 59.1718 32.3072 179.5188 115 V 3.7419 8.0696 118.3842 66.0417 31.4283 177.8828 116 A 4.2681 8.8468 123.3499 56.0182 18.2280 180.3794 117 S 4.1368 8.1156 117.0180 63.5229 62.1200 179.0777 118 L 4.1785 7.5456 121.5721 57.0051 41.4923 177.9946 119 F 4.5984 7.8758 119.1210 57.8208 38.8700 175.7834 120 E 4.4744 7.9889 117.8878 58.0976 28.0990 180.5955 121 G 4.7030 8.3626 124.6815 46.3143 0.0000 171.2875 122 C 4.4183 7.6854 119.8649 59.5070 28.9200 174.6783 123 R 4.0327 8.5400 119.2949 59.3092 29.2185 176.7466 124 H 4.9032 7.5943 115.9882 51.9286 29.6821 171.8387 125 P 4.2447 0.0000 0.0000 65.4867 31.5913 177.6861 126 R 3.9157 7.9356 116.6111 59.7016 30.0302 178.3093 127 E 4.0276 8.1074 117.8212 59.5183 29.5013 179.3016 128 T 3.7421 7.9770 115.6355 66.3733 68.2186 176.3754 129 A 4.0901 7.5135 121.2396 55.4026 18.5256 179.3803 130 I 3.9175 7.6815 116.4104 64.5261 37.2922 178.1091 131 A 4.2104 8.0274 120.4591 55.0995 18.2556 179.7496 132 L 3.8288 7.7573 113.2738 56.0424 41.9470 177.0797 *134 A 4.1444 7.7131 118.2935 51.7525 20.4103 179.0316 *136 L 4.2684 7.8652 119.8525 56.2911 43.8662 179.2061 137 D 4.5659 7.5514 119.2594 56.6463 40.6626 178.8577 138 G 3.3906 8.2256 106.4595 47.8435 0.0000 175.7206 139 L 3.7183 7.6335 121.6073 57.2374 41.5804 179.6705 140 S 4.1366 8.0674 114.1816 61.3436 63.0108 176.7486 141 I 3.8841 7.7926 123.2957 64.5197 36.9101 177.7228 142 Y 4.0669 8.3184 118.0201 61.3556 36.1719 179.1432 143 S 4.2603 8.2729 116.3437 60.8758 62.6364 176.6358 144 L 4.0710 7.5219 121.1946 57.1997 41.3304 178.1932 145 Y 4.2048 7.4552 115.8048 58.4568 38.5818 175.0694 146 F 4.7921 6.3851 113.9750 56.1627 41.0080 174.0008 147 D 4.8610 8.6890 120.3466 52.4176 38.5378 175.8181 148 L 4.4287 8.5309 126.8516 56.8119 42.7519 177.2789 149 G 4.0051 8.2856 105.7103 44.8405 0.0000 175.9612 150 K 4.2990 8.9402 127.4447 53.7593 31.5462 175.0033 151 L 4.3753 8.7705 126.5774 57.1546 41.3651 179.2238 152 E 4.0340 8.3065 118.7991 59.1062 29.5458 178.7694 153 K 3.8901 8.0513 118.6150 59.7268 32.0638 178.9011 154 Y 4.1142 7.8792 116.4362 60.6890 37.6436 178.1673 155 R 3.9756 7.8561 119.1937 59.4018 30.3271 177.9927 156 E 4.1577 8.2624 117.4154 59.6050 29.8106 179.0964 157 I 4.2022 8.0451 120.6921 63.7160 37.1781 179.1601 158 A 4.3045 8.0367 118.1766 53.0503 18.0992 178.8951 *160 E 4.2906 8.1481 122.3880 57.9345 31.6982 178.3059 161 F 4.2782 8.5714 120.0162 61.2606 39.7009 176.4500 162 V 3.8133 8.0329 121.1600 66.5981 31.4580 177.6609 163 E 4.0589 8.3896 116.7332 59.3126 30.2360 179.9833 164 S 4.6565 7.5258 116.3328 57.2979 61.4581 177.7256 165 R 4.1551 7.3111 125.3396 56.6410 30.9014 175.9606 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 2 T 8.03 4.34 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 1.26 0.00 0.00 3 D 8.71 4.16 0.00 2.95 2.71 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 0.00 0.00 0.00 4 Q 8.90 4.00 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.03 0.00 5 S 7.71 4.52 0.00 4.08 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 6 V 7.84 3.59 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 1.02 0.00 0.00 1.04 0.00 0.00 7 R 8.17 3.86 0.00 2.02 2.09 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 8 I 7.65 3.63 2.15 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 1.52 0.69 0.66 0.00 0.00 9 I 7.71 3.54 1.87 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 0.82 0.00 0.00 10 E 8.56 3.91 0.00 1.92 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 2.32 2.37 0.00 11 A 8.01 3.81 1.26 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 0.00 0.00 12 A 7.88 3.27 0.85 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 0.00 0.00 13 L 7.69 3.66 0.00 1.67 1.62 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.70 3.96 0.00 1.78 1.91 0.00 3.11 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 15 L 7.47 4.06 0.00 1.44 1.51 0.78 0.63 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 16 Y 7.37 4.36 0.00 1.89 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 0.00 0.00 0.00 *18 K 8.09 4.35 0.00 1.72 1.88 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.54 7.81 19 K 7.58 4.64 0.00 1.72 1.71 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.38 7.81 20 P 0.00 4.16 0.00 2.15 1.98 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 21 P 0.00 4.19 0.00 1.30 1.55 0.00 3.21 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 1.69 2.20 0.00 22 H 7.73 4.18 0.00 3.08 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.91 4.19 0.00 1.95 2.17 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 2.29 2.24 0.00 24 V 7.68 4.23 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 0.69 0.00 0.00 0.96 0.00 0.00 25 S 8.42 4.82 0.00 4.07 3.97 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 0.00 0.00 0.00 26 I 8.35 3.68 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 1.50 0.70 0.91 0.00 0.00 27 E 8.14 4.20 0.00 1.97 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 2.32 1.97 0.00 28 E 8.09 4.16 0.00 2.11 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 2.29 2.32 0.00 29 I 7.68 3.52 1.70 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.47 0.68 0.00 0.00 30 A 7.96 3.90 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 31 R 7.95 3.78 0.00 1.97 2.05 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 32 E 8.04 3.92 0.00 1.96 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 0.00 2.33 2.26 0.00 33 A 8.35 4.04 1.27 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 0.00 0.00 34 K 7.79 3.73 0.00 1.95 1.90 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.33 7.81 35 V 7.86 4.43 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 0.70 0.00 0.00 0.97 0.00 0.00 36 S 8.35 4.53 0.00 3.78 3.72 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 0.00 0.00 0.00 37 K 8.60 4.21 0.00 1.97 2.21 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.56 7.81 38 S 8.31 4.24 0.00 3.95 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 39 L 7.85 4.12 0.00 1.79 1.81 0.98 1.02 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 40 I 7.61 3.83 1.72 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 1.50 0.60 0.67 0.00 0.00 41 F 8.44 4.77 0.00 3.11 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 42 Y 8.08 4.23 0.00 3.22 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 43 H 7.73 4.50 0.00 3.11 2.45 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.03 4.90 0.00 3.02 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 45 E 9.24 4.06 0.00 2.01 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 2.38 2.37 0.00 46 S 7.75 4.85 0.00 4.18 4.07 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 47 K 8.73 3.94 0.00 1.89 1.97 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.60 7.81 48 Q 8.09 3.99 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.68 0.00 49 K 7.81 3.99 0.00 2.11 2.08 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.32 7.81 50 L 8.00 3.70 0.00 1.45 1.71 -0.19 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.06 3.83 0.00 1.75 1.78 -0.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.09 3.99 0.00 2.23 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 0.00 2.37 2.67 0.00 53 E 8.18 4.21 0.00 2.12 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 0.00 2.48 2.62 0.00 54 A 8.37 4.27 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.87 3.73 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 1.07 0.00 0.00 0.97 0.00 0.00 *57 H 8.12 4.63 0.00 3.40 3.56 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.30 4.02 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 59 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0.00 3.03 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 0.00 123 R 8.54 4.03 0.00 1.83 1.85 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 124 H 7.59 4.90 0.00 3.08 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.24 0.00 2.20 2.20 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 126 R 7.94 3.92 0.00 1.90 1.95 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 127 E 8.11 4.03 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 2.38 2.46 0.00 128 T 7.98 3.74 3.73 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 0.21 0.00 0.00 129 A 7.51 4.09 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 0.00 130 I 7.68 3.92 2.06 0.00 0.00 0.97 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.79 3.88 2.12 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 1.62 1.16 1.14 0.00 0.00 142 Y 8.32 4.07 0.00 2.99 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 0.00 143 S 8.27 4.26 0.00 3.95 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 0.00 144 L 7.52 4.07 0.00 1.39 1.32 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 7.46 4.20 0.00 2.27 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 0.00 146 F 6.39 4.79 0.00 3.27 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 0.00 147 D 8.69 4.86 0.00 2.72 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 0.00 148 L 8.53 4.43 0.00 1.63 1.67 0.64 1.23 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 0.00 149 G 8.29 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 0.00 150 K 8.94 4.30 0.00 1.70 1.75 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.03 7.81 151 L 8.77 4.38 0.00 1.75 1.86 0.92 0.83 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 0.00 152 E 8.31 4.03 0.00 2.11 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 2.40 2.49 0.00 153 K 8.05 3.89 0.00 1.66 1.57 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.53 7.81 154 Y 7.88 4.11 0.00 3.25 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 0.00 155 R 7.86 3.98 0.00 1.91 2.18 0.00 3.38 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 156 E 8.26 4.16 0.00 2.13 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 2.37 2.56 0.00 157 I 8.05 4.20 1.91 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 1.39 1.17 0.97 0.00 0.00 158 A 8.04 4.30 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 *160 E 8.15 4.29 0.00 2.35 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 2.34 2.48 0.00 161 F 8.57 4.28 0.00 3.03 3.34 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 0.00 162 V 8.03 3.81 2.22 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 0.92 0.00 0.00 1.35 0.00 0.00 163 E 8.39 4.06 0.00 2.03 1.86 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 2.23 1.88 0.00 164 S 7.53 4.66 0.00 3.64 3.72 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 0.00 0.00 0.00 165 R 7.31 4.16 0.00 1.70 1.71 0.00 2.69 0.00 0.00 2.89 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.