NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2507 8.1701 117.3747 63.3969 69.9189 172.6438 6 A 4.5269 8.2969 128.2553 48.8902 21.1088 174.1953 7 P 4.1730 0.0000 0.0000 62.8591 33.1380 175.6855 8 A 4.0219 8.8352 125.1331 55.0550 18.5287 179.9030 9 S 4.2440 8.0030 109.7570 61.3327 63.4058 175.7860 10 R 4.0558 8.0322 118.2992 57.4740 30.0583 176.2383 11 R 4.6624 7.2257 116.4775 54.6406 33.1382 175.6559 12 G 4.1849 8.0871 108.7388 44.9729 0.0000 173.1530 13 E 3.8432 8.8306 121.4375 57.3075 29.9240 176.7404 14 L 4.5382 8.3104 122.6395 53.2408 43.6467 175.7216 15 A 4.5659 8.0750 123.4403 50.8810 20.4155 178.2073 16 V 3.7727 8.2162 120.6752 65.2749 32.0760 176.5345 17 C 5.3591 7.7092 115.8078 55.0435 41.1692 173.7594 18 D 4.7289 8.8725 123.7716 54.2294 41.5931 175.4008 19 A 5.2418 8.5096 123.3409 50.1092 22.9982 175.3546 20 V 4.3229 8.6134 118.1229 61.5059 34.6839 174.6775 21 S 4.9098 8.4907 123.1689 56.5924 65.9323 173.2129 22 G 3.7238 6.8489 108.4231 45.8326 0.0000 172.0975 23 W 5.3569 8.5916 120.1550 56.0820 30.4399 176.6267 24 V 4.4950 9.6569 125.0150 61.8293 32.4382 175.8342 25 T 4.6319 8.8475 117.7902 61.6348 69.5336 174.6372 26 D 4.8939 7.8862 121.4788 53.0415 39.8788 175.6947 27 R 4.2422 8.3527 120.8727 57.0520 29.9814 175.7405 28 R 4.6661 8.5883 124.5965 56.9521 31.7068 176.1575 29 T 5.2921 7.7665 107.2613 60.4333 72.3645 172.4552 30 A 4.6016 8.7732 123.2581 51.3686 23.8746 174.8055 31 V 4.8553 8.2562 118.3724 61.4510 34.3857 175.6215 32 D 5.8239 8.8716 127.5708 51.6602 41.3884 177.0261 33 L 4.4442 8.4159 117.4157 56.2057 39.9180 177.1751 34 R 4.4916 8.3700 115.5605 55.7879 31.4469 176.3631 35 G 3.9634 8.2813 105.4245 45.7562 0.0000 174.0257 36 R 4.5049 7.7633 118.5990 54.8289 32.1541 175.2139 37 E 4.6993 8.6703 123.7059 56.2574 30.5835 176.0985 38 V 4.6501 8.9783 119.2821 59.6007 36.5292 174.2693 39 E 4.8561 9.2331 122.9467 55.6231 31.2147 175.6814 40 V 4.4025 8.4326 125.1722 61.2249 32.1687 175.7433 41 L 4.1575 8.2596 128.3194 54.9263 41.8985 178.2555 42 G 3.7783 8.7809 109.7274 47.4299 0.0000 173.1740 43 E 5.2195 7.7598 118.0875 54.5368 33.3630 175.3212 44 V 4.2618 8.2635 122.4450 58.9710 34.1607 173.3642 45 P 4.3979 0.0000 0.0000 62.9151 32.0270 175.4471 46 A 4.5567 8.4665 122.8547 51.2063 20.3703 176.8756 47 A 4.4772 8.2071 119.8692 52.3147 20.8525 176.4059 *50 S 4.3514 7.7151 110.3624 57.3123 64.7955 174.2166 51 P 4.5673 0.0000 0.0000 62.1452 30.4010 177.5292 52 L 5.2732 8.4078 135.0000 55.4871 43.6572 173.1667 53 R 4.3716 8.0962 123.6517 56.4053 29.8724 175.8215 54 Q 4.3338 8.6732 123.9855 55.2473 29.8593 174.1109 55 Y 4.7731 7.3685 123.0524 55.9606 41.7653 173.0751 56 F 5.1922 9.5859 117.4535 55.8740 44.0386 174.1654 57 F 4.9842 9.3114 122.2418 57.0751 40.1912 174.2503 58 E 4.9071 8.3962 125.7162 54.7825 33.1665 175.5597 59 T 4.8463 8.6214 117.9576 62.1629 72.0422 173.6696 60 R 4.7028 8.6262 124.4347 54.0079 34.5002 174.1243 61 C 4.8087 8.5357 117.4443 56.3014 40.6925 173.8034 62 K 3.8777 9.0150 124.7643 56.6485 32.8696 175.8773 63 A 4.1933 8.6370 131.1314 52.6618 18.6608 175.8918 64 D 4.2778 8.2841 118.8943 53.6862 44.0404 175.2222 *66 A 4.3357 8.6633 128.3979 51.6718 20.4080 176.6950 67 E 4.3727 7.2645 112.5553 54.0194 28.4349 175.5468 68 E 3.9088 8.3067 126.1577 57.8551 29.9109 174.6043 69 G 3.5897 8.6427 112.5566 45.1879 0.0000 174.2086 70 G 3.7205 7.7322 110.0275 44.4398 0.0000 171.3982 71 P 4.4211 0.0000 0.0000 63.7026 32.2159 176.9243 72 G 3.8637 9.4602 109.8281 45.3051 0.0000 172.6492 73 A 4.7696 7.5295 122.7097 49.5663 20.8247 176.7021 74 G 3.8159 7.9298 110.4032 48.3017 0.0000 173.6784 75 G 4.0470 8.4042 112.7448 44.7821 0.0000 172.5187 76 G 4.4031 8.2360 107.7528 44.3173 0.0000 172.9561 77 G 4.2136 8.6357 106.1867 46.3055 0.0000 173.8065 78 C 5.1244 8.6161 118.0223 55.0881 42.6443 173.5998 79 R 4.0865 8.4452 122.5689 57.5734 30.0560 177.2526 80 G 3.9425 8.9303 113.1128 45.2850 0.0000 173.4567 81 V 3.7267 6.9292 119.1415 62.0787 32.3634 175.5030 82 D 4.6139 8.6174 126.0469 53.5993 38.9247 176.9077 83 R 4.6592 8.3953 126.1873 58.0167 30.4394 179.5891 84 R 4.1038 8.0316 116.7220 58.6763 30.2777 176.8885 85 H 4.8139 7.7771 110.1018 54.7027 31.4662 173.6015 86 W 5.6724 8.5696 117.6963 54.7453 33.7879 174.3240 87 V 4.7468 9.0163 122.5884 61.3105 32.9312 174.7372 88 S 5.5605 8.5936 121.2887 56.0123 67.0363 172.2921 89 E 5.5467 8.1340 119.1766 55.5006 33.3069 174.1870 90 C 5.0859 8.8523 124.2516 56.4566 40.0261 172.7763 91 K 4.9314 9.4455 122.6796 54.1355 36.1451 175.4535 92 A 4.6261 8.4910 123.2977 51.7065 19.6697 176.7844 93 K 4.5240 9.2381 122.0784 54.7016 34.9328 175.1933 94 Q 5.5732 8.8910 125.3725 53.7516 31.9404 174.2830 95 S 4.5319 8.0434 114.3050 57.6029 67.0991 171.7077 96 Y 5.4357 8.5058 116.4002 56.8198 40.4340 175.6640 97 V 4.9787 8.9386 114.8941 59.7240 36.4977 174.6519 98 R 4.0902 8.3678 124.6975 56.0027 30.6957 175.3643 99 A 5.1977 9.4549 127.4833 49.9819 23.6030 174.8204 100 L 3.7501 8.6700 123.5766 55.0533 43.1257 176.0919 101 T 5.3537 8.8472 116.0592 60.0310 73.3969 172.2574 102 A 5.1974 8.8349 122.3054 50.3557 22.5508 176.4643 103 D 4.7245 8.5072 121.6370 51.7535 41.5856 176.9961 104 A 4.0993 8.5076 120.9158 55.3185 18.2473 178.3979 105 Q 4.2297 8.1745 112.2155 55.8374 29.0729 176.9093 106 G 3.9418 8.6269 107.2840 45.0629 0.0000 174.2799 107 R 3.9412 8.2921 120.4188 56.7977 30.8533 176.3191 108 V 4.3418 8.4704 124.2743 61.7475 32.7257 175.3851 109 G 4.1970 7.9700 116.0715 45.6497 0.0000 171.8340 110 W 4.7585 8.4784 121.1794 56.7740 29.7531 176.0849 111 R 4.7164 9.2685 122.2104 54.3157 34.9830 174.3577 112 W 4.9192 8.8136 122.1015 56.2803 30.2705 175.3666 113 I 5.3424 8.9123 119.0287 58.9305 40.4097 174.7999 114 R 4.8908 8.5741 121.0029 55.5183 30.8673 175.5352 115 I 4.6566 8.1998 114.3614 59.2103 42.1141 173.5576 116 D 5.0554 8.5476 122.9953 54.3116 41.4539 177.0580 117 T 4.6170 8.3427 112.1068 60.8080 70.1674 173.2239 118 A 4.3525 7.2304 122.2153 51.8924 22.6104 175.5342 119 C 5.2993 8.8738 119.2266 54.9926 43.9918 173.4578 120 V 4.6285 9.1995 118.9458 59.6328 35.7054 173.4902 121 C 5.2263 8.6317 122.2131 55.5546 44.6216 172.7427 122 T 4.8283 8.7068 115.3112 59.9101 71.7725 172.7858 123 L 5.2049 8.1889 121.7154 53.4923 45.4563 176.4279 124 L 4.4549 8.6378 119.8379 54.0424 45.4389 175.3755 125 S 4.2529 8.9711 119.4338 59.1540 62.8466 174.2956 126 R 4.5317 8.3412 120.1808 56.8395 34.1255 174.7501 127 T 3.8578 7.0100 113.9002 64.5968 69.0432 174.1138 128 G 3.6834 8.2636 109.7408 45.8814 0.0000 173.1476 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 5 T 8.17 4.25 4.24 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 1.21 0.00 0.00 6 A 8.30 4.53 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 7 P 0.00 4.17 0.00 2.18 2.02 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 8 A 8.84 4.02 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 9 S 8.00 4.24 0.00 3.99 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 10 R 8.03 4.06 0.00 1.93 2.03 0.00 3.14 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 11 R 7.23 4.66 0.00 1.91 1.89 0.00 3.14 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 12 G 8.09 4.18 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 0.00 0.00 0.00 13 E 8.83 3.84 0.00 1.96 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 2.32 2.37 0.00 14 L 8.31 4.54 0.00 1.62 1.57 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.07 4.57 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 16 V 8.22 3.77 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 1.03 0.00 0.00 0.90 0.00 0.00 17 C 7.71 5.36 0.00 2.80 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 18 D 8.87 4.73 0.00 2.62 2.57 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 19 A 8.51 5.24 1.18 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 0.00 0.00 20 V 8.61 4.32 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 0.91 0.00 0.00 0.90 0.00 0.00 21 S 8.49 4.91 0.00 3.61 2.97 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 22 G 6.85 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 0.00 0.00 0.00 23 W 8.59 5.36 0.00 3.21 3.23 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 0.00 0.00 0.00 0.00 24 V 9.66 4.50 2.36 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 1.28 0.00 0.00 1.03 0.00 0.00 25 T 8.85 4.63 4.23 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 0.00 0.00 0.00 1.01 0.00 0.00 26 D 7.89 4.89 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.24 0.00 1.95 2.15 0.00 3.13 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 28 R 8.59 4.67 0.00 1.83 1.96 0.00 3.15 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 29 T 7.77 5.29 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 30 A 8.77 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.26 4.86 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 1.08 0.00 0.00 0.94 0.00 0.00 32 D 8.87 5.82 0.00 3.18 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 33 L 8.42 4.44 0.00 1.41 1.22 0.75 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.37 4.49 0.00 1.93 1.95 0.00 3.26 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 35 G 8.28 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 36 R 7.76 4.50 0.00 1.81 1.87 0.00 3.14 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 37 E 8.67 4.70 0.00 1.99 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 2.30 2.35 0.00 38 V 8.98 4.65 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 0.80 0.00 0.00 1.01 0.00 0.00 39 E 9.23 4.86 0.00 1.97 1.85 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 2.29 2.39 0.00 40 V 8.43 4.40 2.36 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 1.00 0.00 0.00 1.00 0.00 0.00 41 L 8.26 4.16 0.00 1.62 1.51 0.83 0.77 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 42 G 8.78 3.78 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 0.00 0.00 0.00 43 E 7.76 5.22 0.00 1.75 1.76 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 2.18 2.26 0.00 44 V 8.26 4.26 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 0.68 0.00 0.00 1.15 0.00 0.00 45 P 0.00 4.40 0.00 2.18 2.20 0.00 3.81 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.13 0.00 46 A 8.47 4.56 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 47 A 8.21 4.48 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 *50 S 7.72 4.35 0.00 3.89 3.87 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 51 P 0.00 4.57 0.00 2.03 2.11 0.00 3.81 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 52 L 8.41 5.27 0.00 1.83 1.66 0.91 0.80 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 53 R 8.10 4.37 0.00 2.26 1.95 0.00 3.19 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.19 0.00 54 Q 8.67 4.33 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.69 0.00 0.00 0.00 0.00 0.00 1.86 2.03 0.00 55 Y 7.37 4.77 0.00 3.11 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 56 F 9.59 5.19 0.00 3.11 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 57 F 9.31 4.98 0.00 3.05 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 58 E 8.40 4.91 0.00 1.85 1.78 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 2.22 2.34 0.00 59 T 8.62 4.85 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 1.14 0.00 0.00 60 R 8.63 4.70 0.00 1.67 1.76 0.00 3.08 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 61 C 8.54 4.81 0.00 2.83 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 62 K 9.02 3.88 0.00 1.97 1.71 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.44 1.30 7.81 63 A 8.64 4.19 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 64 D 8.28 4.28 0.00 2.58 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 *66 A 8.66 4.34 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 67 E 7.26 4.37 0.00 2.04 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 2.31 0.00 68 E 8.31 3.91 0.00 1.97 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 2.34 0.00 69 G 8.64 3.59 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 0.00 0.00 0.00 70 G 7.73 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 0.00 0.00 0.00 71 P 0.00 4.42 0.00 2.05 1.99 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 72 G 9.46 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 0.00 0.00 0.00 73 A 7.53 4.77 1.30 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 0.00 0.00 0.00 74 G 7.93 3.82 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 0.00 0.00 0.00 75 G 8.40 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 0.00 0.00 0.00 76 G 8.24 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 77 G 8.64 4.21 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 0.00 0.00 0.00 78 C 8.62 5.12 0.00 2.89 3.13 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 79 R 8.45 4.09 0.00 1.76 1.82 0.00 3.28 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 80 G 8.93 3.94 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 0.00 0.00 0.00 81 V 6.93 3.73 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 0.81 0.00 0.00 0.88 0.00 0.00 82 D 8.62 4.61 0.00 2.86 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 83 R 8.40 4.66 0.00 1.93 1.98 0.00 3.48 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 84 R 8.03 4.10 0.00 1.59 1.73 0.00 3.04 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 85 H 7.78 4.81 0.00 2.59 2.62 0.00 5.57 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 8.57 5.67 0.00 3.26 3.04 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 87 V 9.02 4.75 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 1.04 0.00 0.00 0.97 0.00 0.00 88 S 8.59 5.56 0.00 3.94 3.94 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 89 E 8.13 5.55 0.00 2.03 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 90 C 8.85 5.09 0.00 2.91 2.97 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 91 K 9.45 4.93 0.00 1.59 1.63 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.34 7.81 92 A 8.49 4.63 1.18 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 0.00 0.00 93 K 9.24 4.52 0.00 1.68 1.70 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.49 7.81 94 Q 8.89 5.57 0.00 1.79 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.08 0.00 95 S 8.04 4.53 0.00 3.85 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 96 Y 8.51 5.44 0.00 2.97 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 97 V 8.94 4.98 2.30 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 0.99 0.00 0.00 0.95 0.00 0.00 98 R 8.37 4.09 0.00 0.67 1.29 0.00 2.44 0.00 0.00 2.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 99 A 9.45 5.20 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 0.00 100 L 8.67 3.75 0.00 0.63 1.14 0.08 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.85 5.35 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 1.25 0.00 0.00 102 A 8.83 5.20 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.51 4.72 0.00 2.90 2.85 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 0.00 104 A 8.51 4.10 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 0.00 105 Q 8.17 4.23 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 106 G 8.63 3.94 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 0.00 0.00 0.00 107 R 8.29 3.94 0.00 2.12 1.89 0.00 3.12 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 108 V 8.47 4.34 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 0.61 0.00 0.00 0.87 0.00 0.00 109 G 7.97 4.20 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 0.00 0.00 0.00 110 W 8.48 4.76 0.00 3.11 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 0.00 111 R 9.27 4.72 0.00 1.67 1.80 0.00 3.13 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 112 W 8.81 4.92 0.00 3.23 3.04 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 0.00 113 I 8.91 5.34 1.89 0.00 0.00 0.64 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 0.85 0.97 0.00 0.00 114 R 8.57 4.89 0.00 1.60 1.40 0.00 3.15 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.49 0.00 115 I 8.20 4.66 1.90 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 1.17 0.63 0.54 0.00 0.00 116 D 8.55 5.06 0.00 2.57 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 0.00 117 T 8.34 4.62 4.28 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 1.24 0.00 0.00 118 A 7.23 4.35 1.20 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 0.00 0.00 119 C 8.87 5.30 0.00 2.92 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 0.00 120 V 9.20 4.63 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 0.69 0.00 0.00 0.95 0.00 0.00 121 C 8.63 5.23 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 0.00 122 T 8.71 4.83 4.22 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 1.18 0.00 0.00 123 L 8.19 5.20 0.00 1.34 1.54 -0.04 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.64 4.45 0.00 1.79 1.63 0.96 0.93 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 0.00 125 S 8.97 4.25 0.00 3.64 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 0.00 126 R 8.34 4.53 0.00 1.80 1.78 0.00 3.34 0.00 0.00 3.18 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 127 T 7.01 3.86 3.98 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 0.00 0.00 0.92 0.00 0.00 128 G 8.26 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 * Residues marked with a * may have inaccurate shift predictions.