NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2428 8.4331 121.4725 55.9807 30.4718 174.6784 3 G 3.7325 7.6367 109.3676 43.7806 0.0000 170.7241 4 D 4.7123 9.7077 121.9464 52.3160 43.1335 175.3790 5 A 4.0720 8.5852 130.0833 55.0759 18.0741 178.8247 6 A 3.9455 8.1486 119.2362 55.3178 18.4806 180.0540 7 K 3.8880 8.2691 116.7599 59.4274 32.1806 179.7146 8 G 3.6366 8.3973 106.5056 47.6466 0.0000 175.2613 9 E 2.5400 7.9284 120.9289 58.5490 29.7585 178.9644 10 K 4.0623 7.4567 118.1091 59.5192 32.1855 179.2550 11 E 4.0228 8.0817 118.6776 59.1993 29.2541 178.8881 12 F 4.1431 8.1360 120.0692 60.2204 39.1357 176.5310 13 N 4.2551 7.9235 115.3583 56.4512 38.3356 176.6986 14 K 4.0178 7.8977 118.7107 58.4102 32.5099 178.1084 15 C 4.0104 7.5871 117.1265 60.4743 28.5790 175.5815 16 K 4.7633 7.5756 117.7012 57.8780 32.8239 178.6450 17 A 3.8995 7.8651 123.1623 54.7911 18.5788 178.2015 18 C 4.6641 8.0692 111.4465 59.6961 31.4088 173.9974 19 H 5.3182 7.9860 115.7734 53.9679 32.1085 172.9870 20 M 4.9417 8.6940 119.5109 53.9626 34.6258 174.9850 21 V 4.7335 8.7730 119.2715 61.2975 33.8656 173.8305 22 Q 4.9378 9.3770 129.3062 53.9854 31.4870 175.1756 23 A 2.8141 8.7215 129.5408 50.5830 19.1308 176.5508 24 P 4.0974 0.0000 0.0000 65.2083 31.4409 177.4527 25 D 4.4949 7.8455 115.6379 53.3485 39.4785 177.2057 26 G 3.9065 8.1010 109.2419 45.5834 0.0000 174.3206 27 T 3.8719 8.4406 118.4444 63.4966 68.8287 173.2365 28 D 4.8482 8.5394 126.7091 53.7667 41.4000 176.2889 29 I 3.9327 8.5742 126.1839 63.3127 37.7486 176.4962 30 V 4.4388 7.4371 120.4939 60.6404 34.1524 174.0298 31 K 4.3840 8.9173 130.1827 56.6325 32.8608 176.0528 32 G 4.1114 8.2576 113.1035 45.7134 0.0000 171.8871 33 G 4.1752 8.4124 108.4023 45.0169 0.0000 174.0786 34 K 4.6972 8.3363 115.9792 56.4234 32.8592 178.1235 35 T 3.9915 8.3311 118.7127 65.6572 68.5899 174.1972 36 G 4.1622 7.9773 107.2161 42.9479 0.0000 171.5450 37 P 4.2744 0.0000 0.0000 61.8786 32.1892 175.7372 38 N 4.4278 8.7175 119.3958 54.7689 39.0380 174.3824 39 L 4.4971 8.9344 124.3822 54.3604 42.4999 175.7148 40 Y 3.8076 8.1213 121.0517 58.8416 39.0185 175.8553 41 G 3.7129 7.9716 114.9707 46.1873 0.0000 175.1086 42 V 3.6547 7.3092 122.4654 63.8135 31.6451 176.4082 43 V 3.7962 7.4518 121.2959 64.0752 31.2304 175.9568 44 G 3.9676 9.4307 116.8531 44.9775 0.0000 172.6126 45 R 4.4038 7.8969 120.9616 54.7864 31.6278 175.5706 46 K 4.2421 8.7649 126.6735 56.9018 32.7641 176.2347 47 I 3.3163 7.7791 126.9952 62.0732 37.4790 176.0945 48 A 2.5800 8.4237 129.1119 53.5595 15.5695 177.1537 49 S 4.7214 7.7633 110.2418 57.7816 64.4969 174.5078 50 V 3.8040 8.3902 122.7814 62.7227 31.5157 175.0706 51 E 4.1672 8.7855 128.9453 57.6956 29.9096 176.8793 52 G 3.9953 9.1124 114.4873 45.1554 0.0000 172.9026 53 F 4.1817 7.6167 121.7280 57.0930 40.0752 175.9087 54 K 4.1290 6.6972 127.4302 55.1529 30.7312 176.1289 55 Y 4.6378 8.1653 121.0951 57.1491 39.0656 176.5866 56 G 4.0429 8.6911 108.1793 44.3890 0.0000 174.6134 57 D 4.5755 8.7404 120.5484 57.0699 40.8093 179.4369 58 G 3.6708 8.0256 105.9946 48.0573 0.0000 175.7012 59 I 3.9577 7.8907 121.1766 63.3770 38.1137 177.7443 60 L 3.9812 7.9093 119.8875 57.4963 41.3764 178.9633 61 E 3.9033 8.3904 119.4531 59.1462 29.6659 178.8178 62 V 3.4557 7.7920 118.1051 66.1965 31.3036 177.9499 63 A 3.9100 7.6459 118.9576 54.8889 18.2309 178.9778 64 E 3.9863 8.4003 117.4493 59.4600 29.8883 178.9810 65 K 4.2673 8.3022 117.1937 57.5985 33.6341 177.1591 66 N 4.9442 7.7830 116.3063 50.4222 38.7675 173.1033 67 P 4.3493 0.0000 0.0000 64.5547 32.0109 177.1284 68 D 4.6529 7.8122 115.4325 53.1360 40.1644 175.7397 69 M 4.2558 7.9271 122.1136 55.6556 33.1933 175.4466 70 V 4.7968 8.0711 117.8444 58.8567 36.2222 175.2140 71 W 4.4589 8.9935 123.0963 56.8913 29.7208 176.4594 72 S 4.9265 8.7985 119.8909 57.0026 65.0319 175.1973 73 E 3.9642 8.9194 119.7598 59.4957 29.2214 179.5174 74 A 4.0708 8.0118 120.2725 55.4022 18.5006 179.3056 75 D 4.6670 8.1667 117.1239 57.5669 40.8517 178.9496 76 L 3.7456 8.3995 119.6739 57.7178 41.6936 179.5636 77 I 3.6951 7.8748 119.6230 64.4832 37.0497 178.3240 78 E 4.0523 8.1789 119.0577 59.6446 29.1515 178.8225 79 Y 3.8468 7.8434 118.4849 60.7658 39.1321 178.3037 80 V 3.5884 8.0661 113.0257 63.9123 31.3746 178.7894 81 T 4.3241 7.4519 116.3568 65.0301 68.5942 174.3120 82 D 4.3390 7.6879 119.0153 51.7561 43.0264 173.7481 83 P 4.0331 0.0000 0.0000 64.9443 31.3823 178.0466 84 K 4.0191 8.0016 117.7904 59.3388 32.2381 176.9547 85 P 4.3068 0.0000 0.0000 65.0914 31.2144 178.3679 86 W 4.2169 8.0996 126.5543 60.6274 30.6008 177.9795 87 L 4.1021 8.4650 118.9314 57.8153 40.9857 179.6993 88 V 3.7011 8.0963 118.2795 65.9479 31.2546 177.5593 89 E 3.8172 8.1795 118.1927 59.3891 29.5142 178.6640 90 K 3.8594 7.5345 117.2373 58.8064 32.1977 178.8221 91 T 4.1922 8.0185 109.3130 61.6462 69.2163 175.9572 92 G 3.7233 8.1549 108.5770 45.6824 0.0000 172.4428 93 D 4.7977 7.8843 119.9992 51.6984 42.0938 176.9500 94 S 4.1292 8.8364 122.1772 60.7300 63.0435 174.9079 95 A 4.5260 8.3573 122.6354 51.5627 18.8104 176.4127 96 A 4.0993 7.7875 120.2597 53.9124 18.8787 178.3812 97 K 4.4635 8.7544 121.6823 55.9321 33.9319 175.8421 98 T 4.8964 8.3805 117.8284 60.2619 70.4649 173.3995 99 K 4.5353 8.9623 126.1592 56.0442 32.4261 176.6075 100 K 4.5782 7.8015 116.5062 56.4585 35.1571 175.3477 101 T 4.5076 8.4233 109.0980 60.6630 69.8827 173.7085 102 F 3.9536 8.3542 124.5711 58.9908 39.5893 174.0757 103 K 4.2044 7.6110 126.6473 54.1952 34.2531 175.3058 104 L 4.3077 8.2180 125.3823 53.1414 42.5805 177.1642 105 G 3.5914 8.5200 116.6248 47.2143 0.0000 172.5336 106 K 4.6915 7.1786 117.0290 55.6952 36.0301 175.3022 107 N 4.2916 8.7482 113.0194 54.8613 36.1312 177.1662 108 Q 3.9853 7.6409 116.4445 59.1048 28.6854 178.1087 109 A 4.0706 8.0002 121.2699 55.0618 18.4065 179.3789 110 D 4.3794 8.0435 117.3720 57.5440 41.0591 178.9901 111 V 3.7740 7.7475 119.6312 65.0650 31.1714 178.6003 112 V 3.5796 7.9830 118.6733 65.4317 31.3232 177.7909 113 A 3.9659 8.3180 120.9332 55.0191 17.9726 179.3631 114 F 4.0861 8.0164 117.9903 61.5762 39.7107 177.0268 115 L 3.7124 8.0851 118.3481 57.6079 41.3579 179.4236 116 A 3.8520 8.2169 121.0810 55.0299 18.0454 179.2735 117 Q 3.7921 7.6445 117.2697 58.8803 29.2196 177.5392 118 H 4.7248 7.2583 116.2516 55.1473 31.4053 175.0449 119 S 4.5020 7.4403 113.6425 56.3462 62.9005 173.6187 120 P 4.2375 0.0000 0.0000 65.0513 31.9034 177.8179 121 D 4.6858 7.8315 116.5419 53.5709 41.0164 175.9634 122 A 3.8085 7.5204 123.2211 52.5927 18.6750 178.6432 *123 G 3.7341 8.6318 111.0097 45.8448 0.0000 172.4630 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 E 8.43 4.24 0.00 1.93 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 2.20 2.38 0.00 3 G 7.64 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 0.00 0.00 0.00 4 D 9.71 4.71 0.00 2.66 2.66 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 5 A 8.59 4.07 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 6 A 8.15 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 3.89 0.00 1.98 1.87 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.60 7.81 8 G 8.40 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.93 2.54 0.00 1.68 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 2.08 1.75 0.00 10 K 7.46 4.06 0.00 1.97 1.80 0.00 1.90 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.41 7.81 11 E 8.08 4.02 0.00 2.16 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 2.49 2.48 0.00 12 F 8.14 4.14 0.00 3.07 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 13 N 7.92 4.26 0.00 2.81 2.83 0.00 0.00 7.00 7.74 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 14 K 7.90 4.02 0.00 1.87 1.93 0.00 1.86 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.48 7.81 15 C 7.59 4.01 0.00 1.23 2.34 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 16 K 7.58 4.76 0.00 1.98 2.01 0.00 1.87 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.33 7.81 17 A 7.87 3.90 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 18 C 8.07 4.66 0.00 2.61 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 19 H 7.99 5.32 0.00 3.07 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 8.69 4.94 0.00 2.13 2.34 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.56 0.00 21 V 8.77 4.73 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 0.91 0.00 0.00 0.75 0.00 0.00 22 Q 9.38 4.94 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.16 2.48 0.00 23 A 8.72 2.81 0.95 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 0.00 0.00 24 P 0.00 4.10 0.00 1.97 2.08 0.00 3.32 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 25 D 7.85 4.49 0.00 2.74 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 26 G 8.10 3.91 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 0.00 0.00 0.00 27 T 8.44 3.87 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 1.19 0.00 0.00 28 D 8.54 4.85 0.00 2.66 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.57 3.93 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.47 0.65 0.00 0.00 30 V 7.44 4.44 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 1.31 0.00 0.00 1.02 0.00 0.00 31 K 8.92 4.38 0.00 1.83 1.72 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.40 7.81 32 G 8.26 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 0.00 0.00 0.00 33 G 8.41 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 34 K 8.34 4.70 0.00 1.63 1.84 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.44 7.81 35 T 8.33 3.99 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 1.23 0.00 0.00 36 G 7.98 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 0.00 0.00 0.00 37 P 0.00 4.27 0.00 1.89 1.29 0.00 3.44 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.47 0.00 38 N 8.72 4.43 0.00 2.76 2.84 0.00 0.00 6.93 7.78 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 39 L 8.93 4.50 0.00 1.78 1.60 0.86 0.36 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 40 Y 8.12 3.81 0.00 2.99 2.92 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 41 G 7.97 3.71 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 0.00 0.00 0.00 42 V 7.31 3.65 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 0.50 0.00 0.00 0.64 0.00 0.00 43 V 7.45 3.80 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 0.75 0.00 0.00 0.87 0.00 0.00 44 G 9.43 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 0.00 0.00 0.00 45 R 7.90 4.40 0.00 2.23 2.08 0.00 3.21 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 46 K 8.76 4.24 0.00 1.79 1.71 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.56 7.81 47 I 7.78 3.32 1.62 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 0.95 0.50 0.63 0.00 0.00 48 A 8.42 2.58 0.56 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 0.00 0.00 49 S 7.76 4.72 0.00 3.98 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 50 V 8.39 3.80 2.24 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 0.99 0.00 0.00 1.05 0.00 0.00 51 E 8.79 4.17 0.00 2.03 1.91 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 2.35 2.36 0.00 52 G 9.11 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 0.00 0.00 0.00 53 F 7.62 4.18 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.70 4.13 0.00 1.30 1.53 0.00 1.69 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.30 7.81 55 Y 8.17 4.64 0.00 3.12 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 56 G 8.69 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 57 D 8.74 4.58 0.00 2.75 2.78 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 58 G 8.03 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.89 3.96 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 1.13 0.00 0.00 60 L 7.91 3.98 0.00 1.90 1.72 1.12 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.39 3.90 0.00 2.10 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 0.00 2.28 2.30 0.00 62 V 7.79 3.46 2.25 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 0.78 0.00 0.00 0.92 0.00 0.00 63 A 7.65 3.91 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 64 E 8.40 3.99 0.00 2.02 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 2.30 2.33 0.00 65 K 8.30 4.27 0.00 1.71 1.80 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.54 7.81 66 N 7.78 4.94 0.00 2.71 2.60 0.00 0.00 6.84 7.88 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 67 P 0.00 4.35 0.00 2.01 2.09 0.00 3.62 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 2.00 2.18 0.00 68 D 7.81 4.65 0.00 2.75 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 69 M 7.93 4.26 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 70 V 8.07 4.80 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 0.76 0.00 0.00 0.93 0.00 0.00 71 W 8.99 4.46 0.00 3.44 3.03 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 72 S 8.80 4.93 0.00 3.96 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 73 E 8.92 3.96 0.00 2.06 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 2.40 2.40 0.00 74 A 8.01 4.07 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 75 D 8.17 4.67 0.00 3.13 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 76 L 8.40 3.75 0.00 1.83 1.58 0.83 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.87 3.70 2.09 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 1.54 1.10 0.94 0.00 0.00 78 E 8.18 4.05 0.00 2.49 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 79 Y 7.84 3.85 0.00 1.89 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 80 V 8.07 3.59 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 0.82 0.00 0.00 1.00 0.00 0.00 81 T 7.45 4.32 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 1.19 0.00 0.00 82 D 7.69 4.34 0.00 2.59 2.52 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 83 P 0.00 4.03 0.00 2.10 1.38 0.00 3.52 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.66 0.00 84 K 8.00 4.02 0.00 1.93 1.85 0.00 1.69 0.00 0.00 1.89 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.65 7.81 85 P 0.00 4.31 0.00 2.21 2.14 0.00 4.18 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 2.24 2.07 0.00 86 W 8.10 4.22 0.00 3.58 3.69 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 87 L 8.47 4.10 0.00 2.12 1.84 1.17 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.10 3.70 2.24 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 1.09 0.00 0.00 1.04 0.00 0.00 89 E 8.18 3.82 0.00 1.97 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 2.12 2.26 0.00 90 K 7.53 3.86 0.00 1.23 1.38 0.00 1.32 0.00 0.00 1.24 0.00 0.00 2.21 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.21 7.81 91 T 8.02 4.19 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 1.24 0.00 0.00 92 G 8.15 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 93 D 7.88 4.80 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.84 4.13 0.00 4.02 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 95 A 8.36 4.53 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 96 A 7.79 4.10 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 97 K 8.75 4.46 0.00 1.79 1.79 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.47 7.81 98 T 8.38 4.90 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 1.35 0.00 0.00 99 K 8.96 4.54 0.00 1.97 1.93 0.00 1.96 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.56 7.81 100 K 7.80 4.58 0.00 1.91 1.84 0.00 1.67 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.40 7.81 101 T 8.42 4.51 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 1.25 0.00 0.00 102 F 8.35 3.95 0.00 2.95 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 0.00 103 K 7.61 4.20 0.00 1.46 1.61 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.49 7.81 104 L 8.22 4.31 0.00 1.71 1.61 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.52 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 0.00 106 K 7.18 4.69 0.00 1.87 1.85 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.42 7.81 107 N 8.75 4.29 0.00 2.98 3.04 0.00 0.00 6.82 7.36 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 0.00 108 Q 7.64 3.99 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 109 A 8.00 4.07 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.04 4.38 0.00 2.90 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 0.00 111 V 7.75 3.77 2.16 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 0.93 0.00 0.00 1.17 0.00 0.00 112 V 7.98 3.58 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 1.08 0.00 0.00 0.97 0.00 0.00 113 A 8.32 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.02 4.09 0.00 3.10 3.32 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 0.00 115 L 8.09 3.71 0.00 1.79 1.54 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.22 3.85 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 0.00 117 Q 7.64 3.79 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.39 0.00 0.00 0.00 0.00 0.00 2.06 2.27 0.00 118 H 7.26 4.72 0.00 2.70 2.99 0.00 5.61 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 0.00 119 S 7.44 4.50 0.00 3.78 3.69 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 0.00 120 P 0.00 4.24 0.00 2.16 2.14 0.00 3.40 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 121 D 7.83 4.69 0.00 2.69 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 0.00 122 A 7.52 3.81 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 *123 G 8.63 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.