NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4169 8.1927 115.4118 58.3468 64.6087 173.3616 5 S 4.2159 8.2580 112.4892 59.1387 62.3229 174.2590 6 S 4.0989 8.6743 117.1265 61.9735 62.6637 175.4646 7 T 3.9444 7.6304 117.7992 66.3483 68.0901 176.8155 8 K 3.9775 7.7734 120.5798 59.2098 32.1684 178.8433 9 K 3.9287 8.0114 119.8956 59.7158 32.1286 178.9925 10 T 3.8433 7.7811 115.5784 66.6475 68.3998 176.3574 11 Q 3.9656 8.4361 121.8588 59.3209 28.9737 178.4919 12 L 4.0414 8.2516 120.1850 57.7565 41.5673 179.4601 13 Q 4.0016 8.1182 118.1014 59.0400 28.5929 178.9136 14 L 4.0458 8.0991 119.9479 57.8940 41.6622 179.4774 15 E 3.9890 8.4078 118.6117 59.3775 29.3310 178.9592 16 H 4.0581 8.4544 118.6598 59.1594 30.0156 177.0107 17 L 3.9855 8.1438 122.2771 58.0894 41.8273 178.5495 18 L 3.9808 8.2788 120.5199 58.2871 41.9926 178.9890 19 L 3.9706 7.9877 118.7377 57.9497 41.5485 179.2490 20 D 4.3577 8.2180 118.7921 57.3266 40.6756 178.9169 21 L 4.0257 7.9729 119.4862 58.0069 41.6074 179.6316 22 Q 4.0169 8.4100 118.1828 59.1105 28.6947 178.8151 23 M 4.0633 8.1833 120.0129 58.2449 31.7651 178.8159 24 I 3.7257 7.5648 119.0972 64.2554 37.6039 177.8075 25 L 4.1202 8.1105 121.2847 58.3514 41.8611 178.5927 26 N 4.4109 8.5005 117.1103 56.5352 38.8007 176.9947 27 G 3.4763 7.8790 106.8863 47.6642 0.0000 175.6763 28 I 3.6514 7.5730 121.9607 64.2256 36.8910 177.9666 29 N 4.4151 7.7477 115.9361 55.4032 38.4036 175.3379 30 N 4.7250 7.4345 115.6549 53.2317 39.9435 175.0574 31 Y 4.4073 7.2119 116.6148 57.8884 38.5703 176.9739 32 K 4.3825 8.5748 123.2932 55.6539 34.3750 178.0029 33 N 4.3054 8.6440 117.4492 56.3358 38.3500 175.6947 34 P 4.2254 0.0000 0.0000 65.5156 31.4916 178.4095 35 K 3.8019 8.0255 117.6587 59.4401 32.1309 178.0663 36 L 3.9182 8.4429 120.6749 58.6409 41.7806 178.9347 37 T 3.8651 7.8792 114.1704 66.7622 68.7104 176.3658 38 R 4.0648 7.7185 119.5348 59.6752 30.2431 178.8057 39 M 4.0377 8.0008 117.7481 58.6312 31.9486 177.9135 40 L 4.2862 7.8643 117.8618 56.7353 41.9205 178.3807 41 T 4.4017 7.6771 108.5053 61.3054 69.3038 174.4444 42 F 4.0777 7.6210 125.1149 57.8245 39.4592 174.4593 43 K 4.6655 7.7306 127.5801 55.3926 33.5161 176.1352 44 F 4.7791 9.2865 121.7228 55.8680 42.5353 173.9212 45 Y 4.8063 9.1825 119.7948 57.3671 39.0509 175.0376 46 M 5.2053 8.8365 122.8284 52.8011 35.2089 173.7932 47 P 4.8758 0.0000 0.0000 62.5591 32.4768 176.7920 48 K 4.1275 8.9470 121.9899 58.7636 32.1819 177.7465 49 K 4.3437 7.7704 117.6976 54.3697 34.6387 175.2740 50 A 4.4263 8.3919 128.5302 51.0232 19.9261 175.1702 51 T 4.7654 8.7866 108.1030 61.8571 71.1258 173.8457 52 E 4.8163 8.2579 121.0224 54.2550 33.7278 176.1575 53 L 4.2717 8.7136 121.0162 58.1320 42.2545 179.9893 54 K 3.8450 8.0203 117.8076 60.3202 32.1974 178.3507 55 H 4.2984 7.9909 116.3672 57.5827 28.5787 177.0920 56 L 3.7323 8.1441 121.6069 56.8093 41.3528 178.8014 57 Q 4.0206 8.0552 119.8320 59.2577 28.7349 177.4060 58 C 4.5689 8.2718 116.9677 59.4999 36.1430 175.3094 59 L 3.6598 7.1907 121.6682 57.3624 41.6495 178.0763 60 E 3.8732 7.9759 119.2879 59.4501 29.3841 178.7594 61 E 4.1419 8.2757 117.1503 58.7162 29.9005 178.1137 62 E 4.5612 8.0864 116.9747 56.6233 29.9296 177.9989 63 L 4.1631 7.9100 121.0102 57.4521 41.5223 179.4438 64 K 3.9758 8.0720 118.4267 58.9990 32.1892 177.2393 65 P 4.6405 0.0000 0.0000 65.2576 30.9575 178.0066 66 L 4.1667 8.0080 119.7206 58.0437 41.9409 178.4798 67 E 3.9387 8.6515 119.6365 59.2983 29.2622 178.4138 68 E 3.9747 8.4368 119.0859 59.6283 29.5282 179.9432 69 V 3.2731 7.3606 118.8599 64.5489 31.1843 178.3974 70 L 3.9339 7.7012 118.7618 57.3518 41.4366 179.0184 71 N 4.4729 8.0043 115.9953 56.1869 38.6130 176.9677 72 L 4.1473 7.5214 118.8152 56.8196 43.0026 178.8551 73 A 4.3645 7.6063 122.3156 51.7390 17.0837 176.6737 74 Q 4.1793 7.9325 123.0949 54.5193 31.1961 175.9529 *81 R 4.1507 8.4084 117.4090 57.9768 32.0721 170.5979 82 P 4.4619 0.0000 0.0000 65.0712 31.3951 178.7968 83 R 4.1702 7.9608 118.2438 58.9739 29.8157 178.1434 84 D 4.3152 8.0023 117.8339 57.1674 40.9099 178.1361 85 L 3.9448 7.8950 120.7704 58.3755 42.0793 179.1142 86 I 3.6879 7.9739 119.7099 64.3603 37.0115 178.0970 87 S 4.0901 8.0291 113.9784 61.8252 62.1685 176.0955 88 N 4.3300 8.3966 118.9456 56.4301 38.1547 177.5215 89 I 3.7392 7.9436 121.3414 64.2840 37.1253 177.9323 90 N 4.2409 8.6062 118.4306 56.5627 38.7709 176.9697 91 V 3.5741 7.9813 119.7324 66.1271 31.6267 178.0964 92 I 3.6840 7.6691 119.3502 64.3289 36.9724 178.5455 93 V 3.5619 7.9826 119.2782 65.9233 31.3365 177.7302 94 L 3.9589 8.2667 120.4015 58.3398 41.6962 178.8233 95 E 3.9875 8.0686 117.3372 59.2604 29.4069 179.1272 96 L 4.1804 7.8168 118.5151 57.2454 41.9789 178.8477 97 K 4.3085 8.1328 116.3469 55.6879 33.3769 177.5741 98 G 4.0021 7.8088 108.4578 45.2744 0.0000 173.3763 99 S 4.6850 8.2829 110.9638 57.9900 63.8929 175.1752 100 E 4.1210 8.0777 121.0605 59.5345 29.5977 177.6078 101 T 4.0557 7.8021 115.4016 63.2864 69.0973 174.0123 102 T 4.4449 8.4364 116.8141 60.0797 69.1415 173.7518 103 F 4.8459 8.5092 127.8289 56.2306 42.5103 173.1764 104 M 4.1970 7.3771 126.4798 53.4071 33.5413 175.6340 105 C 4.2796 8.3851 126.7762 56.5201 43.9040 172.0888 106 E 4.5480 8.5824 125.5973 55.1403 30.9635 174.3981 107 Y 5.3711 8.4174 121.7941 55.9344 40.4468 175.7109 108 A 4.3793 9.0001 126.3392 51.9900 19.4247 177.9292 109 D 4.5511 8.6574 119.1896 57.4025 41.1076 177.6828 110 E 4.1451 8.0510 118.5793 56.1249 29.9162 176.8528 111 T 4.4758 8.2080 114.3406 61.2728 70.8657 172.9786 112 A 4.8860 8.8459 122.2577 50.5941 23.3348 175.9876 113 T 4.4877 8.7010 109.5068 61.2397 70.1208 175.6709 114 I 3.3650 8.8074 121.4322 64.0186 37.7289 178.0800 115 V 3.6284 7.8123 118.7449 66.2054 31.4996 177.8179 116 E 4.0043 7.9844 117.3769 59.0468 29.3517 179.2290 117 F 4.1925 8.2741 120.9174 61.3233 39.4283 177.2633 118 L 3.9653 8.2012 118.6356 57.8143 41.3741 179.1099 119 N 4.2899 8.3597 116.5930 56.4955 38.5134 177.3847 120 R 3.7070 8.0369 119.9275 59.1872 30.1029 178.5288 121 W 4.2972 7.7948 118.0860 59.2229 29.0288 178.8063 122 I 3.8153 8.1596 120.4999 64.6529 36.4762 178.5022 123 T 3.9995 8.1201 116.7022 66.4916 68.2896 176.1797 124 F 4.0165 8.2654 122.5976 61.7360 39.3778 176.9710 125 C 4.1519 8.4969 115.9528 63.1001 27.9676 176.2448 126 Q 3.9904 8.2532 119.5841 58.7982 28.0049 178.7934 127 S 3.9900 8.0623 113.7431 61.3828 62.8006 176.0830 128 I 3.6702 7.4232 122.3239 64.4058 36.9700 178.2303 129 I 3.6687 7.6822 120.8879 64.6551 36.7120 178.5410 130 S 4.1548 7.9631 114.0868 61.5153 62.8937 176.1420 131 T 4.0563 7.5247 111.0482 63.0060 68.7589 175.0161 132 L 4.3073 7.5748 126.6346 55.0764 41.9594 176.1056 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 4 S 8.19 4.42 0.00 4.02 4.10 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 5 S 8.26 4.22 0.00 3.99 3.88 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 6 S 8.67 4.10 0.00 3.93 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 7 T 7.63 3.94 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 1.20 0.00 0.00 8 K 7.77 3.98 0.00 1.90 1.80 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 9 K 8.01 3.93 0.00 2.04 1.97 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 10 T 7.78 3.84 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 1.21 0.00 0.00 11 Q 8.44 3.97 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 12 L 8.25 4.04 0.00 1.73 1.72 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.12 4.00 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 14 L 8.10 4.05 0.00 1.85 1.73 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.41 3.99 0.00 2.17 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 2.33 2.68 0.00 16 H 8.45 4.06 0.00 3.40 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.14 3.99 0.00 1.84 1.86 0.91 0.51 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 18 L 8.28 3.98 0.00 1.85 1.95 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.99 3.97 0.00 2.06 1.65 0.91 0.86 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 20 D 8.22 4.36 0.00 2.86 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 21 L 7.97 4.03 0.00 1.92 1.75 1.00 1.10 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 22 Q 8.41 4.02 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 23 M 8.18 4.06 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.56 0.00 24 I 7.56 3.73 2.07 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 1.45 0.65 0.98 0.00 0.00 25 L 8.11 4.12 0.00 1.86 1.85 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.50 4.41 0.00 2.94 2.89 0.00 0.00 7.14 7.80 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 27 G 7.88 3.48 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 0.00 28 I 7.57 3.65 2.08 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.43 1.08 0.00 0.00 29 N 7.75 4.42 0.00 2.76 2.86 0.00 0.00 6.94 9.28 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 30 N 7.43 4.72 0.00 2.49 2.75 0.00 0.00 7.00 7.56 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 31 Y 7.21 4.41 0.00 3.13 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 32 K 8.57 4.38 0.00 1.85 1.77 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.56 7.81 33 N 8.64 4.31 0.00 2.75 2.89 0.00 0.00 6.79 8.03 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 34 P 0.00 4.23 0.00 2.15 2.11 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 35 K 8.03 3.80 0.00 1.81 2.06 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.57 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.38 7.81 36 L 8.44 3.92 0.00 1.96 1.83 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.88 3.87 4.38 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 1.22 0.00 0.00 38 R 7.72 4.06 0.00 1.89 1.97 0.00 3.29 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 1.82 1.77 0.00 39 M 8.00 4.04 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 40 L 7.86 4.29 0.00 1.84 1.76 0.96 1.00 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 41 T 7.68 4.40 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 1.29 0.00 0.00 42 F 7.62 4.08 0.00 2.99 3.05 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 43 K 7.73 4.67 0.00 1.27 1.41 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.23 7.81 44 F 9.29 4.78 0.00 3.04 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 45 Y 9.18 4.81 0.00 2.55 2.46 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 46 M 8.84 5.21 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.65 0.00 47 P 0.00 4.88 0.00 2.09 2.17 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.32 0.00 48 K 8.95 4.13 0.00 1.76 1.92 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.52 1.49 7.81 49 K 7.77 4.34 0.00 1.63 1.58 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.19 1.38 7.81 50 A 8.39 4.43 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 51 T 8.79 4.77 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 52 E 8.26 4.82 0.00 1.70 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 0.00 2.29 2.17 0.00 53 L 8.71 4.27 0.00 1.72 1.79 0.97 0.90 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 54 K 8.02 3.85 0.00 1.78 1.94 0.00 1.29 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.04 0.56 7.81 55 H 7.99 4.30 0.00 3.46 3.40 0.00 5.64 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 56 L 8.14 3.73 0.00 1.84 1.60 1.07 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.06 4.02 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 58 C 8.27 4.57 0.00 3.57 3.57 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 59 L 7.19 3.66 0.00 0.27 0.85 0.25 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.98 3.87 0.00 2.03 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 2.32 2.34 0.00 61 E 8.28 4.14 0.00 2.22 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 2.42 2.62 0.00 62 E 8.09 4.56 0.00 2.53 2.20 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 2.57 3.13 0.00 63 L 7.91 4.16 0.00 1.84 1.75 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.07 3.98 0.00 1.80 1.89 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.46 7.81 65 P 0.00 4.64 0.00 2.25 2.34 0.00 3.93 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.91 0.00 66 L 8.01 4.17 0.00 2.06 2.02 0.93 0.90 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 67 E 8.65 3.94 0.00 2.05 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 2.45 2.37 0.00 68 E 8.44 3.97 0.00 2.15 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 2.36 2.35 0.00 69 V 7.36 3.27 0.67 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 0.77 0.00 0.00 0.45 0.00 0.00 70 L 7.70 3.93 0.00 1.79 1.79 0.96 0.89 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 71 N 8.00 4.47 0.00 2.83 2.85 0.00 0.00 7.03 7.47 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 72 L 7.52 4.15 0.00 1.66 1.65 0.86 0.79 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 73 A 7.61 4.36 0.82 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 74 Q 7.93 4.18 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.45 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 *81 R 8.41 4.15 0.00 1.87 1.89 0.00 3.26 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.30 0.00 82 P 0.00 4.46 0.00 2.15 2.15 0.00 3.59 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 83 R 7.96 4.17 0.00 1.95 1.95 0.00 3.22 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 84 D 8.00 4.32 0.00 2.89 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 85 L 7.89 3.94 0.00 1.79 1.84 0.94 1.02 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 86 I 7.97 3.69 1.95 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 1.61 0.74 0.99 0.00 0.00 87 S 8.03 4.09 0.00 3.97 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 88 N 8.40 4.33 0.00 3.06 2.88 0.00 0.00 7.10 7.72 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 89 I 7.94 3.74 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 0.88 0.00 0.00 90 N 8.61 4.24 0.00 2.87 2.92 0.00 0.00 6.85 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 91 V 7.98 3.57 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 0.96 0.00 0.00 1.00 0.00 0.00 92 I 7.67 3.68 2.01 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.98 0.95 0.00 0.00 93 V 7.98 3.56 2.18 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 0.96 0.00 0.00 0.89 0.00 0.00 94 L 8.27 3.96 0.00 1.94 1.76 0.93 0.86 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 95 E 8.07 3.99 0.00 2.18 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 2.54 2.48 0.00 96 L 7.82 4.18 0.00 1.79 1.77 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.13 4.31 0.00 1.97 2.03 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.45 7.81 98 G 7.81 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 99 S 8.28 4.68 0.00 3.98 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 0.00 100 E 8.08 4.12 0.00 1.99 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 0.00 2.32 2.34 0.00 101 T 7.80 4.06 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 1.27 0.00 0.00 102 T 8.44 4.44 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 1.23 0.00 0.00 103 F 8.51 4.85 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 0.00 104 M 7.38 4.20 0.00 1.69 1.73 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 105 C 8.39 4.28 0.00 2.97 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 0.00 106 E 8.58 4.55 0.00 1.93 1.82 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 2.27 2.23 0.00 107 Y 8.42 5.37 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 0.00 108 A 9.00 4.38 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 0.00 109 D 8.66 4.55 0.00 2.72 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 0.00 110 E 8.05 4.15 0.00 1.99 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 2.33 2.26 0.00 111 T 8.21 4.48 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 0.51 0.00 0.00 112 A 8.85 4.89 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 0.00 113 T 8.70 4.49 4.35 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 0.00 0.00 1.27 0.00 0.00 114 I 8.81 3.36 2.13 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 1.50 0.88 1.01 0.00 0.00 115 V 7.81 3.63 2.14 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 1.16 0.00 0.00 1.00 0.00 0.00 116 E 7.98 4.00 0.00 2.17 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 2.37 2.37 0.00 117 F 8.27 4.19 0.00 3.14 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 0.00 118 L 8.20 3.97 0.00 1.79 1.74 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.36 4.29 0.00 2.88 2.86 0.00 0.00 6.69 7.81 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 0.00 120 R 8.04 3.71 0.00 1.79 1.80 0.00 2.83 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.94 0.00 121 W 7.79 4.30 0.00 3.21 3.05 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 0.00 122 I 8.16 3.82 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.74 0.98 0.00 0.00 123 T 8.12 4.00 4.36 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 0.00 0.00 0.00 1.18 0.00 0.00 124 F 8.27 4.02 0.00 2.97 3.41 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 0.00 125 C 8.50 4.15 0.00 3.30 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 0.00 126 Q 8.25 3.99 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 127 S 8.06 3.99 0.00 3.85 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 0.00 128 I 7.42 3.67 1.65 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.43 0.80 0.00 0.00 129 I 7.68 3.67 1.97 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 1.56 1.21 0.89 0.00 0.00 130 S 7.96 4.15 0.00 3.99 4.08 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 0.00 131 T 7.52 4.06 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 1.21 0.00 0.00 132 L 7.57 4.31 0.00 1.76 1.59 0.90 0.57 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 * Residues marked with a * may have inaccurate shift predictions.