NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2983 8.1133 121.1128 56.2146 31.7993 173.7568 3 I 4.7947 8.2699 126.2984 58.8278 39.6121 169.8427 4 V 4.5239 8.8542 125.2988 61.1821 35.9310 173.3268 5 Q 4.6990 8.7559 127.9597 55.4612 29.6109 175.3554 6 A 4.0274 8.9843 129.7825 52.3143 19.3917 176.4838 7 T 4.6480 8.3164 110.3763 59.2055 72.6285 174.1868 8 L 3.9456 8.5157 121.7430 58.3029 42.1428 178.7714 9 E 3.9321 7.8147 117.2111 59.8600 29.4851 178.4498 10 H 4.4336 8.2845 113.9696 56.3107 28.7918 176.9156 11 L 3.8465 7.6752 123.5382 58.7436 41.6360 178.8376 12 D 4.5977 7.9860 116.2138 57.0259 40.8333 178.0161 13 L 4.1341 7.7160 120.0023 57.4979 42.4622 177.7771 14 L 4.1997 8.3739 120.0026 56.6540 42.2312 178.1339 15 A 4.0470 8.4001 121.8445 54.8936 18.2617 177.8002 16 P 4.2915 0.0000 0.0000 66.0731 31.2509 178.2094 17 L 4.2315 7.9666 119.3992 57.5861 42.2172 178.4523 18 F 4.3323 8.4298 121.2377 60.9126 39.2543 177.4120 19 V 3.4931 7.8466 117.6359 65.8975 31.4210 177.8094 20 K 3.9804 7.8154 117.9801 59.8776 31.7363 178.2920 21 Y 3.0513 7.2294 117.4940 60.6823 38.7289 178.2616 22 R 3.6157 7.5296 118.2343 59.0355 30.0926 179.0313 23 E 3.8600 8.5904 118.8041 59.3066 29.2824 179.1133 24 F 4.0011 8.5408 119.6818 60.4335 39.2864 175.7245 25 Y 4.5338 7.1473 114.2636 56.9120 39.5108 176.2906 26 G 3.6781 7.4642 107.9861 45.9751 0.0000 173.5239 *28 L 3.8797 7.3810 119.5087 54.2990 43.2903 178.9131 29 S 3.8871 8.6307 116.5331 61.0370 63.6611 175.1409 30 Y 3.9698 6.8228 112.3608 58.0282 34.8439 171.1091 31 P 4.3376 0.0000 0.0000 65.8410 31.9900 178.0964 32 E 4.0415 8.1908 116.5455 59.6197 29.5352 179.4190 33 S 4.4365 8.1431 114.6062 61.5069 62.9338 176.8651 34 S 4.4691 8.4879 118.3145 61.7020 62.6682 176.6291 35 R 3.9993 8.1872 121.4838 59.1280 29.9159 178.4926 36 K 3.9914 8.7670 120.1225 59.1702 32.1778 178.5435 37 F 4.1263 8.6912 121.3824 61.5228 39.3909 177.2370 38 L 3.7177 7.9159 118.2116 57.2631 41.1074 179.2762 39 E 3.7796 7.7981 119.0732 59.2628 29.6287 178.7036 40 K 3.7259 7.6688 118.0102 59.6758 32.1103 179.5524 41 R 3.7384 7.4188 117.4367 59.1108 30.1363 179.0486 42 L 3.8662 8.0765 119.0475 57.8281 41.4690 179.4285 43 R 3.8403 8.5208 118.7838 59.4674 30.0022 177.6784 44 R 4.1203 8.1049 113.9775 55.8637 30.7308 176.1507 45 K 3.8302 7.3844 116.2962 57.6808 29.7136 175.5895 46 E 4.4766 8.1535 115.7117 56.5788 30.2907 176.3450 47 S 4.9323 7.5373 112.1065 57.4658 66.3452 173.6142 48 V 4.1962 8.5995 120.6857 61.1310 33.6951 174.1823 49 I 4.7515 8.0030 128.3832 59.8134 39.7402 173.9902 50 Y 5.0985 8.7254 125.5867 56.5716 40.1668 174.7202 51 L 5.2473 9.1641 123.2354 52.9185 45.1021 175.3321 52 A 4.8592 8.9025 126.2945 50.9199 20.0315 175.7487 53 L 5.1677 8.9295 122.6752 52.8708 44.1747 177.1623 54 A 4.0768 8.0845 125.0394 52.0845 19.1267 177.0509 55 D 4.4657 8.8797 121.8075 57.2876 41.7650 177.3411 56 E 3.7388 8.2281 116.3622 58.2361 28.9978 178.3790 57 E 4.4419 8.4365 118.2302 55.3236 33.1443 177.0891 58 D 4.6611 8.2851 118.8636 53.0674 39.4735 176.5503 59 R 4.4590 7.4189 116.5897 53.6679 31.5630 175.9265 60 L 4.1245 8.5637 125.1992 55.3120 42.2102 176.0543 61 L 4.3195 8.8670 127.6201 56.3424 43.3544 176.8143 62 G 4.4016 7.8048 104.6488 46.2976 0.0000 171.7668 63 F 5.5582 8.2079 114.2836 55.9679 41.8205 172.7956 64 C 5.1420 9.5957 119.0997 57.8785 35.4197 172.3599 65 Q 4.9299 9.2673 125.1716 54.4453 32.3776 173.6593 66 L 4.9348 8.8088 125.1349 53.1125 46.2293 174.7932 67 Y 5.5487 8.9226 120.0113 55.4317 40.4842 173.6008 68 P 3.5375 0.0000 0.0000 62.9613 32.4471 175.4406 69 S 4.3317 7.5844 116.2331 57.5879 66.3526 171.8845 70 F 5.1925 8.3458 117.2592 56.1755 43.3441 174.1578 71 S 4.6324 9.0478 115.6532 56.7638 63.6407 175.2011 72 S 4.1587 8.9315 124.2630 61.5891 63.0872 175.8795 73 L 4.0863 8.0712 119.5307 57.7578 41.3885 178.1085 74 S 4.5913 7.6518 108.4915 57.0677 63.1259 173.7191 75 L 3.7246 7.4472 119.0514 56.2464 39.7238 173.9252 76 K 4.8699 7.6187 114.3694 54.1729 37.0944 176.1124 77 R 4.3000 8.4787 121.1830 56.6688 31.6306 175.1277 78 V 4.7826 7.8044 121.6826 61.0291 35.6111 173.6081 79 W 4.9776 8.6545 126.2193 54.9453 31.5470 175.0968 80 I 4.4384 8.8487 126.6383 60.4218 38.3417 174.7853 81 L 4.7034 8.9667 130.3594 53.9923 42.1122 175.3111 82 N 4.6543 8.4510 125.6966 55.5979 39.6538 174.7867 83 D 5.1328 7.8281 117.4793 52.5626 44.6858 174.7587 84 I 4.6469 7.6920 120.6768 60.0990 41.2364 173.1595 85 Y 4.5354 7.9068 126.8232 56.7435 42.6169 172.8234 86 V 4.5562 7.2434 124.9651 60.6914 34.6516 174.9351 87 A 4.1662 8.3998 128.6970 51.3518 19.3839 178.2995 88 E 3.8189 8.8695 120.6307 59.8324 29.6489 178.9045 89 E 3.9666 8.3117 115.7550 59.1875 29.6993 177.8749 90 A 4.2655 7.4599 120.2603 51.1299 19.6270 177.5350 91 R 4.1290 8.3276 117.9392 56.2487 30.5796 176.6312 92 R 3.4462 8.7282 122.8733 60.2014 29.8291 177.2763 93 Q 3.9183 7.9536 117.6953 59.3862 29.2221 178.6139 94 L 3.8319 7.9085 120.4015 58.5078 42.1012 179.2133 95 V 3.7228 7.6019 116.9554 65.6673 31.5236 177.5703 96 A 3.9249 8.5659 121.0708 55.6756 18.1106 178.9007 97 D 4.2392 8.3370 117.3104 57.8456 40.8715 178.4370 98 H 4.0624 7.8614 114.7672 59.4366 28.8577 177.5681 99 L 3.9204 7.8302 119.8810 57.7688 41.5140 179.2682 100 L 4.0601 8.1716 118.7258 58.0438 41.6257 179.7224 101 Q 3.8440 8.6655 119.4895 59.5028 28.8696 177.5351 102 H 3.8480 7.9943 117.6061 59.1665 29.8210 176.6934 103 A 4.0184 8.0564 121.8114 55.0293 18.5799 179.2381 104 K 4.0488 8.4304 118.6094 59.4041 32.2258 179.9362 105 Q 4.0377 8.3219 118.5914 55.6598 28.5941 178.4122 *107 A 4.2078 8.0157 124.1424 52.4524 20.8199 180.0909 108 R 3.8896 8.0083 114.6200 59.5902 30.2554 178.9753 109 E 3.9003 8.0875 116.3842 59.2836 29.5290 178.2703 110 T 4.4210 7.8048 106.2217 60.9226 69.4690 174.2746 111 H 4.0226 7.9974 116.7443 57.3154 26.7092 174.9751 112 A 4.4963 7.9224 120.5948 51.6741 19.7418 178.6939 113 V 3.9231 8.8632 122.2750 65.8477 32.9099 176.1218 114 R 4.1534 7.3045 119.4935 55.7323 36.0623 174.6985 *116 R 4.7238 8.6061 117.4292 56.0533 31.4569 174.6268 117 V 4.7053 8.2601 124.0746 59.8583 34.4651 174.8302 118 S 4.4881 8.2095 115.7227 56.9119 65.2775 172.8795 119 T 4.5606 8.0568 119.7921 60.2789 70.3790 172.8336 120 S 4.1592 8.5685 119.6133 58.6244 62.7041 175.8731 121 V 3.7314 8.4258 120.1661 64.2510 31.4687 176.3680 122 D 4.8129 8.0187 118.7357 54.4022 41.3130 176.9801 123 N 5.1488 7.8725 115.1847 51.8422 38.7646 175.2219 124 E 4.3162 8.2101 124.1730 59.2931 30.0991 179.4308 125 V 3.5605 7.9701 116.8910 66.0253 31.7358 177.2758 126 A 3.9158 8.2201 119.7199 55.7590 18.0366 179.5404 127 Q 4.1979 8.6440 116.5162 58.8266 28.7338 179.0328 128 K 3.9438 8.1995 120.8907 59.4846 32.0781 178.8766 129 V 3.5554 7.4182 117.0950 66.3023 31.6558 177.1723 130 Y 4.6012 7.5909 115.8455 61.4410 37.6153 178.6302 131 E 4.4942 8.7991 120.9614 58.7673 29.3793 178.8780 132 S 4.5803 8.1952 111.9333 59.2909 63.2633 174.5306 133 I 4.4384 7.5569 115.3686 60.9069 37.8447 175.2829 134 G 4.0185 8.5233 113.3579 47.2372 0.0000 174.8756 135 F 3.9051 7.6359 118.6665 56.3870 39.6411 175.2283 136 R 4.7085 8.4391 122.5096 54.7008 34.3478 175.4104 137 E 4.3654 8.4447 121.6388 54.1513 28.2425 175.3308 138 D 4.3662 7.9721 118.0694 55.0890 41.4872 175.8549 139 Q 4.4113 8.6729 124.5313 56.5845 28.8201 175.8725 140 E 4.3777 9.4671 118.6372 55.9587 29.5444 176.1040 141 F 4.8004 7.7287 115.3697 56.1995 42.9735 173.4539 142 K 4.4657 8.7894 124.8773 54.8770 33.2647 175.2337 143 N 4.9160 8.6027 123.8354 52.1125 39.8826 174.0531 144 Y 4.7208 8.4940 120.0016 56.6731 40.8266 175.2287 145 T 4.6227 8.2166 117.0360 62.1322 72.5041 173.6590 146 L 4.5818 8.3131 126.7746 52.1969 43.3561 174.0401 147 P 4.3200 0.0000 0.0000 63.0968 31.6983 175.6136 148 I 4.2344 8.4493 122.9829 62.6839 38.9127 175.8134 149 S 4.9652 7.5827 115.1569 57.1209 65.3831 173.1470 150 D 4.8646 8.3709 120.0579 54.1238 42.0793 176.3361 151 E 4.3251 8.5189 120.3357 57.7036 30.4751 177.6406 152 L 4.2869 7.9851 120.0754 57.2323 42.6649 176.3716 153 S 4.1295 7.7556 116.4614 58.6587 62.6412 173.6262 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 R 8.11 4.30 0.00 1.88 2.02 0.00 3.10 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 3 I 8.27 4.79 1.58 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 1.12 0.21 0.65 0.00 0.00 4 V 8.85 4.52 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 0.87 0.00 0.00 0.94 0.00 0.00 5 Q 8.76 4.70 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 6 A 8.98 4.03 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 7 T 8.32 4.65 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 1.23 0.00 0.00 8 L 8.52 3.95 0.00 1.72 1.71 0.88 0.87 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 9 E 7.81 3.93 0.00 1.80 1.88 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 2.31 2.27 0.00 10 H 8.28 4.43 0.00 3.22 3.34 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.68 3.85 0.00 1.84 1.71 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.99 4.60 0.00 2.68 2.72 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 13 L 7.72 4.13 0.00 1.63 1.87 1.01 1.05 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 14 L 8.37 4.20 0.00 1.69 1.66 0.33 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.40 4.05 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 16 P 0.00 4.29 0.00 2.33 2.37 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.06 0.00 17 L 7.97 4.23 0.00 1.93 1.83 1.23 1.26 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 18 F 8.43 4.33 0.00 2.98 3.24 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 0.00 0.00 0.00 0.00 19 V 7.85 3.49 2.33 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 0.88 0.00 0.00 1.06 0.00 0.00 20 K 7.82 3.98 0.00 2.07 2.03 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.78 7.81 21 Y 7.23 3.05 0.00 2.32 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 22 R 7.53 3.62 0.00 1.84 1.75 0.00 2.58 0.00 0.00 2.83 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.31 0.00 23 E 8.59 3.86 0.00 2.07 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 2.24 2.48 0.00 24 F 8.54 4.00 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 25 Y 7.15 4.53 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.46 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *28 L 7.38 3.88 0.00 1.15 0.48 0.81 0.60 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 29 S 8.63 3.89 0.00 3.93 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 30 Y 6.82 3.97 0.00 3.21 3.20 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 0.00 0.00 0.00 31 P 0.00 4.34 0.00 2.21 2.17 0.00 3.68 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 2.15 2.23 0.00 32 E 8.19 4.04 0.00 2.07 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 2.44 2.44 0.00 33 S 8.14 4.44 0.00 3.89 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 34 S 8.49 4.47 0.00 4.28 4.34 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 35 R 8.19 4.00 0.00 2.06 2.10 0.00 3.13 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 36 K 8.77 3.99 0.00 1.99 2.00 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.52 7.81 37 F 8.69 4.13 0.00 3.37 3.38 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 38 L 7.92 3.72 0.00 1.74 1.45 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.80 3.78 0.00 2.22 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 0.00 2.26 2.31 0.00 40 K 7.67 3.73 0.00 1.80 1.72 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.62 7.81 41 R 7.42 3.74 0.00 1.63 1.80 0.00 2.96 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 42 L 8.08 3.87 0.00 1.75 1.65 0.87 0.68 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 43 R 8.52 3.84 0.00 1.66 1.98 0.00 3.22 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 44 R 8.10 4.12 0.00 1.85 1.92 0.00 3.30 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 45 K 7.38 3.83 0.00 1.94 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.38 7.81 46 E 8.15 4.48 0.00 1.90 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 2.25 2.17 0.00 47 S 7.54 4.93 0.00 4.25 4.16 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 48 V 8.60 4.20 1.73 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 0.28 0.00 0.00 0.87 0.00 0.00 49 I 8.00 4.75 1.74 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.49 0.92 0.00 0.00 50 Y 8.73 5.10 0.00 2.90 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 51 L 9.16 5.25 0.00 1.60 1.58 0.80 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.90 4.86 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 53 L 8.93 5.17 0.00 1.47 1.58 1.00 1.03 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 54 A 8.08 4.08 1.25 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 0.00 0.00 55 D 8.88 4.47 0.00 2.63 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 56 E 8.23 3.74 0.00 1.96 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 2.30 2.32 0.00 57 E 8.44 4.44 0.00 2.10 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 2.23 2.38 0.00 58 D 8.29 4.66 0.00 2.70 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 59 R 7.42 4.46 0.00 1.98 2.18 0.00 2.98 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 60 L 8.56 4.12 0.00 1.67 1.73 1.08 1.16 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 L 8.87 4.32 0.00 1.63 1.67 0.90 0.77 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 62 G 7.80 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 63 F 8.21 5.56 0.00 3.28 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 64 C 9.60 5.14 0.00 2.95 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 65 Q 9.27 4.93 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.50 0.00 0.00 0.00 0.00 0.00 1.83 2.23 0.00 66 L 8.81 4.93 0.00 1.62 1.79 0.97 0.56 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 67 Y 8.92 5.55 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 68 P 0.00 3.54 0.00 1.71 1.89 0.00 4.06 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 69 S 7.58 4.33 0.00 3.74 3.49 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 70 F 8.35 5.19 0.00 2.87 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 71 S 9.05 4.63 0.00 3.85 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 72 S 8.93 4.16 0.00 3.90 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 73 L 8.07 4.09 0.00 1.61 1.74 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.65 4.59 0.00 4.05 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 75 L 7.45 3.72 0.00 1.72 1.74 0.91 0.77 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 76 K 7.62 4.87 0.00 1.69 1.71 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.66 7.81 77 R 8.48 4.30 0.00 1.85 1.77 0.00 2.21 0.00 0.00 2.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.11 0.00 78 V 7.80 4.78 1.88 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 0.86 0.00 0.00 0.88 0.00 0.00 79 W 8.65 4.98 0.00 3.24 3.12 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 0.00 0.00 0.00 80 I 8.85 4.44 2.17 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 1.17 0.77 1.04 0.00 0.00 81 L 8.97 4.70 0.00 1.71 1.53 1.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.45 4.65 0.00 2.80 2.58 0.00 0.00 6.99 8.36 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 83 D 7.83 5.13 0.00 2.55 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 0.00 0.00 0.00 0.00 84 I 7.69 4.65 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.38 0.81 0.00 0.00 85 Y 7.91 4.54 0.00 2.87 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 0.00 0.00 0.00 86 V 7.24 4.56 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 0.81 0.00 0.00 0.79 0.00 0.00 87 A 8.40 4.17 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 88 E 8.87 3.82 0.00 1.95 2.04 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 2.31 2.39 0.00 89 E 8.31 3.97 0.00 1.92 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 2.39 0.00 90 A 7.46 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.33 4.13 0.00 2.01 2.05 0.00 2.99 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 92 R 8.73 3.45 0.00 1.74 1.81 0.00 3.04 0.00 0.00 3.18 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 93 Q 7.95 3.92 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 94 L 7.91 3.83 0.00 1.76 1.65 0.95 0.83 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 95 V 7.60 3.72 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 0.90 0.00 0.00 0.91 0.00 0.00 96 A 8.57 3.92 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 97 D 8.34 4.24 0.00 2.96 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 98 H 7.86 4.06 0.00 3.18 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.83 3.92 0.00 1.91 1.70 0.88 0.52 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 0.00 100 L 8.17 4.06 0.00 1.81 1.80 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.67 3.84 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 102 H 7.99 3.85 0.00 3.16 3.09 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.06 4.02 1.40 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 0.00 104 K 8.43 4.05 0.00 1.83 1.88 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.42 7.81 105 Q 8.32 4.04 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.16 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 *107 A 8.02 4.21 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 0.00 108 R 8.01 3.89 0.00 2.04 1.96 0.00 3.12 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 109 E 8.09 3.90 0.00 1.90 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 2.31 2.39 0.00 110 T 7.80 4.42 4.48 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 1.36 0.00 0.00 111 H 8.00 4.02 0.00 3.34 3.42 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.92 4.50 1.57 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 0.00 113 V 8.86 3.92 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 0.98 0.00 0.00 114 R 7.30 4.15 0.00 1.89 1.76 0.00 3.03 0.00 0.00 3.27 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 *116 R 8.61 4.72 0.00 1.97 1.94 0.00 3.30 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 117 V 8.26 4.71 0.81 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 -0.58 0.00 0.00 -0.14 0.00 0.00 118 S 8.21 4.49 0.00 3.74 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.06 4.56 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 1.26 0.00 0.00 120 S 8.57 4.16 0.00 3.87 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 0.00 121 V 8.43 3.73 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 0.76 0.00 0.00 0.93 0.00 0.00 122 D 8.02 4.81 0.00 2.67 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 N 7.87 5.15 0.00 2.90 2.86 0.00 0.00 6.99 7.76 0.00 0.00 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 8.21 4.32 0.00 2.00 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 0.00 2.44 2.23 0.00 125 V 7.97 3.56 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 1.08 0.00 0.00 0.98 0.00 0.00 126 A 8.22 3.92 1.49 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 0.00 127 Q 8.64 4.20 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 128 K 8.20 3.94 0.00 2.00 1.93 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 129 V 7.42 3.56 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 0.74 0.00 0.00 0.87 0.00 0.00 130 Y 7.59 4.60 0.00 3.26 2.84 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 0.00 131 E 8.80 4.49 0.00 2.27 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 2.44 2.45 0.00 132 S 8.20 4.58 0.00 4.05 4.09 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 0.00 133 I 7.56 4.44 1.95 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.01 1.02 0.00 0.00 134 G 8.52 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 0.00 0.00 0.00 135 F 7.64 3.91 0.00 3.39 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 0.00 136 R 8.44 4.71 0.00 1.80 1.83 0.00 3.21 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 137 E 8.44 4.37 0.00 1.96 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 2.25 2.30 0.00 138 D 7.97 4.37 0.00 2.77 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 0.00 139 Q 8.67 4.41 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.40 0.00 0.00 0.00 0.00 0.00 2.62 2.34 0.00 140 E 9.47 4.38 0.00 1.93 1.49 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 2.25 2.31 0.00 141 F 7.73 4.80 0.00 3.06 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 0.00 142 K 8.79 4.47 0.00 1.78 1.92 0.00 1.84 0.00 0.00 2.03 0.00 0.00 2.35 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.01 1.30 7.81 143 N 8.60 4.92 0.00 2.72 2.74 0.00 0.00 6.99 7.46 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 0.00 144 Y 8.49 4.72 0.00 2.93 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 0.00 145 T 8.22 4.62 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 1.23 0.00 0.00 146 L 8.31 4.58 0.00 1.59 1.57 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.32 0.00 2.09 2.00 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 148 I 8.45 4.23 1.88 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 1.61 0.84 0.91 0.00 0.00 149 S 7.58 4.97 0.00 3.83 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 0.00 150 D 8.37 4.86 0.00 2.87 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 0.00 151 E 8.52 4.33 0.00 1.95 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 2.26 2.28 0.00 152 L 7.99 4.29 0.00 1.61 1.72 0.93 0.86 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 0.00 153 S 7.76 4.13 0.00 3.94 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 * Residues marked with a * may have inaccurate shift predictions.