NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 S 4.4599 8.3349 115.4166 57.8810 64.3530 173.5390 29 L 4.1361 8.2777 123.3579 53.5202 42.7273 174.3242 30 P 4.8143 0.0000 0.0000 62.3628 33.6047 175.2027 31 K 4.9407 8.1569 120.3187 56.6751 34.6325 173.7117 32 F 5.0993 7.8756 116.0980 55.1645 41.0859 173.6231 33 E 4.6442 8.8803 119.4551 54.5097 32.8206 175.5608 34 I 3.8532 7.7326 123.0855 59.8906 39.0475 175.7343 35 H 4.3954 8.7595 125.9137 54.2051 28.4153 175.7704 36 D 4.5600 9.0155 129.6950 52.7344 39.4803 176.7892 37 V 4.1188 7.5620 119.0031 62.3890 30.7304 175.2056 38 R 4.5057 8.0013 126.0576 54.0119 31.6386 175.7292 39 D 4.2093 8.1028 117.6477 58.2221 41.2386 176.3347 40 D 4.5210 7.8009 117.0994 53.2181 41.8508 175.7826 41 P 4.4363 0.0000 0.0000 63.5413 32.1899 176.7212 42 A 3.9697 8.6392 124.1843 53.9997 16.9246 178.5061 43 E 4.2771 9.1669 119.2713 55.5586 30.9283 178.3603 44 G 3.9218 8.0655 110.9743 46.2104 0.0000 171.4375 45 T 4.7857 7.9090 113.1722 61.8495 68.7732 175.7795 *47 T 4.3812 8.3395 115.0849 63.2921 70.3148 171.8247 48 R 4.4309 8.8744 124.7032 55.0200 33.5238 173.6568 49 V 4.5265 7.2462 126.3608 61.4371 33.6910 174.3828 50 A 5.4770 8.2818 127.2567 51.2770 23.2936 175.1697 51 V 4.9277 8.6323 117.9947 60.0434 34.8251 174.9742 52 D 4.6980 9.0273 123.1586 52.9558 43.7037 174.9874 53 G 3.7306 8.5144 117.6812 47.0024 0.0000 173.9029 54 K 4.2094 8.5221 123.3980 56.4955 31.9192 175.7105 55 L 4.9995 7.7264 118.8150 54.4075 44.3056 174.5727 56 L 4.8841 8.5855 120.8010 54.3327 43.3511 175.7766 57 L 5.6753 9.5105 125.1702 52.5739 43.1083 174.7421 58 I 4.6010 8.0789 124.5626 60.2648 39.2335 175.0926 59 S 5.2152 9.1466 121.5801 57.4608 68.4515 172.8538 60 Q 4.4547 8.7084 121.5092 55.4795 32.4967 172.6265 61 Y 4.8087 8.4524 124.8426 55.6776 39.4690 173.5952 62 P 4.3576 0.0000 0.0000 62.5360 32.6348 175.7451 63 Q 4.2595 8.3649 123.5990 57.1471 29.7296 176.5257 64 L 4.4721 8.0111 126.9999 53.5099 42.8416 176.1624 65 G 4.0713 8.6880 109.7976 44.4123 0.0000 169.3180 66 P 4.1223 0.0000 0.0000 61.8299 31.9280 175.4022 67 R 3.7268 8.5245 120.1064 56.1915 29.5317 175.7949 68 K 3.8524 8.3547 125.7925 56.9820 32.6751 176.1179 69 V 4.2237 8.0786 121.5561 63.6530 33.7966 175.5578 70 D 4.5458 8.1165 118.1954 53.6162 41.2838 175.0733 71 P 4.3287 0.0000 0.0000 64.1629 31.9124 175.8008 72 N 4.2142 7.7503 113.0513 53.2979 41.2116 173.5263 73 D 4.4634 7.8353 126.0196 52.5500 41.1353 175.8901 74 L 3.9873 8.5913 122.0850 55.2820 41.3121 176.8748 75 S 3.9631 7.8592 114.6845 57.7804 61.9866 171.5743 76 P 4.1770 0.0000 0.0000 62.8230 30.8588 176.0444 77 Q 4.0437 8.7158 124.9562 57.3795 30.2464 175.0534 78 F 5.0282 7.9114 116.6996 55.6134 42.2693 174.1329 79 D 4.5641 8.8636 123.9510 54.1886 40.9966 176.0782 80 A 3.5074 8.7218 128.4711 53.3653 19.0521 176.8352 81 D 4.7495 7.7291 115.5540 54.2111 40.6891 177.4498 82 R 4.5832 7.5217 113.9812 55.6955 32.5473 175.3609 83 R 4.9629 7.6007 115.3869 56.1114 30.7720 175.3486 84 I 4.6055 8.1395 119.9877 59.7356 40.3155 174.5578 85 S 5.0034 8.0668 118.3302 56.5842 65.7505 173.2360 86 V 4.4165 8.4353 116.8127 59.7903 36.5381 174.1757 87 R 5.0100 8.2077 122.2450 54.9063 32.3360 174.3720 88 L 4.8905 8.5448 126.4488 53.1205 43.6838 177.0281 89 R 4.2063 9.4745 121.1803 56.2657 30.3057 176.7596 90 H 5.0068 8.7221 119.1734 58.2890 29.7278 177.1544 91 V 3.5212 7.8327 120.6262 65.4176 31.0338 177.8943 92 D 4.5377 7.8423 119.4685 57.1394 40.5385 178.8587 93 L 3.9611 9.2064 120.4793 57.5748 41.5830 178.7003 94 A 3.9091 7.9724 120.1643 55.6471 18.2719 178.8707 95 Y 4.0760 8.1823 114.2447 61.4165 37.8341 179.3750 96 L 3.8839 8.0272 118.5848 57.5598 41.5801 179.5285 97 V 3.7448 8.0382 118.7930 65.9020 31.5376 178.3666 98 G 4.0520 8.4632 105.7109 48.1281 0.0000 175.6675 99 V 4.1577 7.7774 120.9032 65.4024 31.8438 177.7289 100 C 5.3262 10.0081 117.8951 62.0992 27.8653 175.6483 101 K 4.1411 7.9641 116.0028 55.7371 31.6078 176.1064 102 E 3.9655 7.9408 117.6339 57.0900 28.6610 176.2069 103 R 4.2515 8.1158 117.6009 57.5559 30.6450 177.6906 104 V 4.4878 7.6450 111.5004 59.1665 35.4440 173.0152 105 P 4.3251 0.0000 0.0000 65.4760 30.8477 175.7344 106 R 5.0973 7.5229 111.8147 54.8506 32.9412 173.4525 107 H 4.7386 9.4057 119.1032 54.7093 32.3694 172.8268 108 R 4.8107 8.1788 127.0789 54.0731 32.4755 174.4359 *110 E 4.1500 8.4876 119.2373 56.3664 31.7547 172.4586 111 T 4.7613 7.4995 113.2225 61.0423 69.0096 175.6959 112 K 4.5325 8.6144 110.5951 54.9730 33.2265 173.0257 113 A 4.6449 7.0445 125.4564 53.1934 24.8221 177.3231 114 Y 4.7263 7.3671 110.5835 56.7673 41.7208 173.7246 115 T 4.5886 8.4599 114.3171 59.3678 69.1434 170.8601 116 L 4.8779 7.7709 127.7663 53.9745 43.6318 175.0568 117 D 5.0627 8.8282 124.1512 52.6966 43.1990 175.1905 118 F 5.2091 9.1039 125.7022 56.4103 41.9370 173.6421 119 E 5.1682 8.6294 123.3761 54.1422 33.5458 174.6922 120 K 4.2157 8.0319 122.0989 56.3001 33.4473 176.0310 121 S 4.6540 8.1978 119.8213 55.9704 65.1681 175.0848 122 A 3.9075 8.4362 125.9421 55.5190 18.7690 179.2776 123 Q 4.2209 8.1862 114.5762 58.7802 30.7118 177.3627 124 G 4.2695 7.8848 106.9003 46.2387 0.0000 174.2621 125 Y 5.1647 5.9557 116.7811 56.3377 43.8198 174.6323 126 H 5.1896 9.0783 121.1733 54.3231 33.7604 171.7995 127 L 5.3900 8.7869 127.2603 53.5921 44.6407 174.7158 128 H 5.1514 9.3493 121.1809 53.9182 32.3734 174.1447 129 G 4.2750 7.0428 105.6475 45.2695 0.0000 171.2738 130 K 4.9097 8.0366 118.3804 54.9615 34.9332 176.2545 131 V 4.8940 7.9240 115.9347 60.1604 36.1077 173.8780 132 H 4.8521 8.1383 120.9871 54.5879 28.8633 177.0734 133 R 4.2152 8.4893 125.8772 55.8527 30.1041 176.0438 134 V 3.9388 7.4880 123.7540 62.8149 34.1336 174.9981 135 A 3.6218 9.0271 129.6067 52.1946 15.0631 179.8322 136 S 3.9239 8.6413 108.8470 57.8488 64.4936 173.6830 137 Q 4.5569 8.3006 125.5343 55.4761 28.7326 174.4421 138 R 4.5724 7.2121 121.1169 55.5900 31.4192 173.6835 *140 E 4.2757 8.5278 112.5049 55.8399 31.1453 175.9489 141 D 4.9192 8.8965 122.6735 54.8065 42.0296 175.3783 142 W 4.4911 8.3282 124.7626 57.2799 34.9883 173.4894 143 S 4.3391 7.9235 117.3687 57.7006 64.2684 174.5219 144 V 4.0644 7.2691 127.6447 59.7516 33.8419 175.8405 145 K 4.5849 8.0037 122.4014 55.8683 34.5525 177.4813 146 F 4.9160 8.6346 118.4564 57.0577 41.5923 174.0349 147 D 4.8604 8.2853 123.8192 52.7864 44.2848 180.3145 148 N 3.9393 8.6405 115.7169 53.5585 39.6053 176.6270 149 H 4.1269 9.2683 128.4514 59.9114 28.2018 176.5276 150 F 4.2614 7.8715 119.5075 59.7303 38.8481 177.0476 151 A 4.3685 8.5090 121.1811 55.5426 18.0977 179.4543 152 V 3.7831 7.6170 116.0968 66.9103 31.4353 178.4862 153 T 3.6625 7.4685 114.2882 66.4151 68.1274 176.3271 154 L 3.4873 8.0382 122.7263 58.0169 41.9469 178.2872 155 E 3.8683 8.1584 119.0406 59.0989 29.1681 178.5975 156 H 4.0506 8.8737 116.1471 59.1081 29.0041 177.3323 157 F 3.9033 7.7189 122.1300 61.6230 39.1013 177.0876 158 L 4.0133 7.9391 118.1679 57.9824 41.3557 179.5767 159 E 3.9076 8.2237 118.3817 59.4416 29.6284 179.4551 160 S 3.9950 9.5162 114.9480 61.5562 62.7120 176.2225 161 A 3.6986 8.0752 124.2523 54.6583 17.8621 179.1392 162 L 3.8147 7.5712 119.4134 57.8610 42.3456 178.7601 163 D 4.1463 7.7498 117.1734 57.7239 41.0361 178.4776 164 E 3.9926 8.1027 118.5825 59.0896 29.0551 179.2491 165 S 4.1448 7.6234 113.1798 59.9008 61.3814 175.2577 166 F 4.9466 7.7945 120.7091 57.0437 39.3541 176.4882 167 G 4.0696 8.0927 108.4613 47.8735 0.0000 175.5563 168 F 4.8038 7.7316 116.3389 58.7421 39.1743 176.9155 169 R 4.3933 7.8928 118.3798 58.5735 30.5239 178.4024 170 Q 4.0742 7.9170 116.8415 59.6633 28.6280 177.7392 171 H 4.3783 8.3792 119.3767 58.7546 30.0384 175.9989 172 Y 4.1475 8.0165 115.2094 58.1895 38.2961 175.2110 173 A 4.2410 7.8667 128.3493 52.3834 18.5696 177.2353 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 28 S 8.33 4.46 0.00 4.02 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 29 L 8.28 4.14 0.00 1.79 1.84 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.81 0.00 2.09 1.99 0.00 3.94 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 31 K 8.16 4.94 0.00 1.72 1.81 0.00 1.49 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.28 7.81 32 F 7.88 5.10 0.00 3.13 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 33 E 8.88 4.64 0.00 1.66 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.11 0.00 34 I 7.73 3.85 1.38 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 -0.00 0.25 0.00 0.00 35 H 8.76 4.40 0.00 3.16 3.44 0.00 5.69 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 9.02 4.56 0.00 2.61 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 37 V 7.56 4.12 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 0.85 0.00 0.00 1.17 0.00 0.00 38 R 8.00 4.51 0.00 1.87 1.90 0.00 3.31 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.98 0.00 39 D 8.10 4.21 0.00 2.67 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 40 D 7.80 4.52 0.00 2.76 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 41 P 0.00 4.44 0.00 2.07 2.10 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 42 A 8.64 3.97 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 43 E 9.17 4.28 0.00 2.13 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 44 G 8.07 3.92 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 0.00 0.00 0.00 45 T 7.91 4.79 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 1.39 0.00 0.00 *47 T 8.34 4.38 3.92 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 1.19 0.00 0.00 48 R 8.87 4.43 0.00 1.39 1.32 0.00 2.89 0.00 0.00 2.97 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.47 0.00 49 V 7.25 4.53 1.38 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 0.91 0.00 0.00 0.76 0.00 0.00 50 A 8.28 5.48 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 51 V 8.63 4.93 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 0.56 0.00 0.00 0.92 0.00 0.00 52 D 9.03 4.70 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.51 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 54 K 8.52 4.21 0.00 1.74 1.40 0.00 1.67 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.39 7.81 55 L 7.73 5.00 0.00 1.83 1.99 0.97 0.41 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 56 L 8.59 4.88 0.00 1.68 1.70 1.00 0.84 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 57 L 9.51 5.68 0.00 1.51 1.60 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.08 4.60 2.07 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.23 1.08 0.00 0.00 59 S 9.15 5.22 0.00 3.55 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 60 Q 8.71 4.45 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 61 Y 8.45 4.81 0.00 2.74 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 62 P 0.00 4.36 0.00 2.13 2.08 0.00 3.85 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 63 Q 8.36 4.26 0.00 2.59 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 64 L 8.01 4.47 0.00 1.66 1.50 0.91 1.39 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 65 G 8.69 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 0.00 0.00 0.00 66 P 0.00 4.12 0.00 2.02 2.02 0.00 3.69 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 67 R 8.52 3.73 0.00 1.75 1.91 0.00 3.28 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 68 K 8.35 3.85 0.00 1.68 1.70 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 69 V 8.08 4.22 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 0.90 0.00 0.00 0.96 0.00 0.00 70 D 8.12 4.55 0.00 2.67 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 71 P 0.00 4.33 0.00 2.18 2.17 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 72 N 7.75 4.21 0.00 2.66 2.72 0.00 0.00 6.80 8.47 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 73 D 7.84 4.46 0.00 2.85 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 74 L 8.59 3.99 0.00 1.67 1.76 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.86 3.96 0.00 3.84 3.79 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 76 P 0.00 4.18 0.00 2.09 2.12 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 77 Q 8.72 4.04 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.86 0.00 0.00 0.00 0.00 0.00 2.08 1.19 0.00 78 F 7.91 5.03 0.00 3.09 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 79 D 8.86 4.56 0.00 2.72 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 80 A 8.72 3.51 1.03 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 0.00 0.00 81 D 7.73 4.75 0.00 2.86 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 82 R 7.52 4.58 0.00 1.78 1.86 0.00 3.21 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 83 R 7.60 4.96 0.00 1.97 1.65 0.00 3.10 0.00 0.00 2.66 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.38 0.00 84 I 8.14 4.61 1.21 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.15 0.36 0.00 0.00 85 S 8.07 5.00 0.00 3.80 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 86 V 8.44 4.42 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 0.67 0.00 0.00 1.09 0.00 0.00 87 R 8.21 5.01 0.00 1.71 1.72 0.00 3.21 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 88 L 8.54 4.89 0.00 1.67 1.84 0.98 1.15 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 89 R 9.47 4.21 0.00 2.00 1.97 0.00 3.18 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 90 H 8.72 5.01 0.00 3.24 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.83 3.52 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 0.89 0.00 0.00 1.05 0.00 0.00 92 D 7.84 4.54 0.00 3.14 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 93 L 9.21 3.96 0.00 1.87 1.75 0.90 0.78 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 94 A 7.97 3.91 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 95 Y 8.18 4.08 0.00 3.00 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 96 L 8.03 3.88 0.00 1.34 1.05 0.45 0.78 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 97 V 8.04 3.74 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 0.99 0.00 0.00 0.95 0.00 0.00 98 G 8.46 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 99 V 7.78 4.16 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 1.51 0.00 0.00 1.31 0.00 0.00 100 C 10.01 5.33 0.00 3.20 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 0.00 101 K 7.96 4.14 0.00 1.76 1.85 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.51 7.81 102 E 7.94 3.97 0.00 2.07 1.96 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 2.27 2.29 0.00 103 R 8.12 4.25 0.00 1.87 1.99 0.00 3.19 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 104 V 7.64 4.49 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 0.92 0.00 0.00 1.16 0.00 0.00 105 P 0.00 4.33 0.00 2.24 2.38 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 106 R 7.52 5.10 0.00 1.94 1.95 0.00 3.02 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 107 H 9.41 4.74 0.00 3.28 3.29 0.00 5.77 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.18 4.81 0.00 1.80 1.76 0.00 3.12 0.00 0.00 3.78 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.93 0.00 *110 E 8.49 4.15 0.00 1.92 1.81 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 2.15 2.27 0.00 111 T 7.50 4.76 4.33 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 1.15 0.00 0.00 112 K 8.61 4.53 0.00 1.86 1.85 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.22 1.25 7.81 113 A 7.04 4.64 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 0.00 114 Y 7.37 4.73 0.00 2.92 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 0.00 115 T 8.46 4.59 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 1.20 0.00 0.00 116 L 7.77 4.88 0.00 1.53 1.71 1.33 1.45 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 0.00 117 D 8.83 5.06 0.00 2.36 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.10 5.21 0.00 3.13 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 0.00 119 E 8.63 5.17 0.00 2.01 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 2.19 2.22 0.00 120 K 8.03 4.22 0.00 1.77 1.65 0.00 1.93 0.00 0.00 1.56 0.00 0.00 2.49 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.13 0.70 7.81 121 S 8.20 4.65 0.00 3.80 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 0.00 122 A 8.44 3.91 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 0.00 123 Q 8.19 4.22 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.51 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 124 G 7.88 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 0.00 0.00 0.00 0.00 125 Y 5.96 5.16 0.00 3.01 2.58 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 0.00 126 H 9.08 5.19 0.00 3.05 3.02 0.00 5.54 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.79 5.39 0.00 2.11 1.62 1.19 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 128 H 9.35 5.15 0.00 3.14 3.13 0.00 5.38 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.04 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 0.00 0.00 0.00 0.00 130 K 8.04 4.91 0.00 1.76 1.76 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.88 1.49 7.81 131 V 7.92 4.89 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 0.83 0.00 0.00 0.79 0.00 0.00 132 H 8.14 4.85 0.00 3.16 3.33 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.49 4.22 0.00 1.78 1.92 0.00 3.15 0.00 0.00 3.36 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 134 V 7.49 3.94 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 0.64 0.00 0.00 0.88 0.00 0.00 135 A 9.03 3.62 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 0.00 136 S 8.64 3.92 0.00 3.82 3.76 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 0.00 137 Q 8.30 4.56 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.48 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 138 R 7.21 4.57 0.00 1.86 1.62 0.00 3.13 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 *140 E 8.53 4.28 0.00 2.15 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 0.00 2.26 2.40 0.00 141 D 8.90 4.92 0.00 2.65 2.75 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 0.00 0.00 0.00 142 W 8.33 4.49 0.00 3.35 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 0.00 143 S 7.92 4.34 0.00 3.82 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.27 4.06 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 0.13 0.00 0.00 0.45 0.00 0.00 145 K 8.00 4.58 0.00 1.50 1.87 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.32 7.81 146 F 8.63 4.92 0.00 3.29 3.08 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 0.00 147 D 8.29 4.86 0.00 2.66 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 0.00 148 N 8.64 3.94 0.00 2.94 2.29 0.00 0.00 7.19 8.04 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 0.00 149 H 9.27 4.13 0.00 3.25 3.48 0.00 5.65 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 0.00 150 F 7.87 4.26 0.00 3.30 3.33 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 0.00 151 A 8.51 4.37 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 0.00 152 V 7.62 3.78 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 1.01 0.00 0.00 0.99 0.00 0.00 153 T 7.47 3.66 4.19 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 0.79 0.00 0.00 154 L 8.04 3.49 0.00 1.28 1.67 0.44 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.16 3.87 0.00 2.34 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 2.44 2.66 0.00 156 H 8.87 4.05 0.00 3.08 3.34 0.00 5.66 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 0.00 157 F 7.72 3.90 0.00 2.85 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 0.00 158 L 7.94 4.01 0.00 1.87 1.61 0.58 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 159 E 8.22 3.91 0.00 2.18 1.90 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 2.27 2.29 0.00 160 S 9.52 3.99 0.00 3.60 3.75 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 0.00 0.00 0.00 161 A 8.08 3.70 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.57 3.81 0.00 1.61 1.75 1.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 163 D 7.75 4.15 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 E 8.10 3.99 0.00 1.93 1.90 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 2.34 2.37 0.00 165 S 7.62 4.14 0.00 3.94 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 0.00 166 F 7.79 4.95 0.00 2.99 2.75 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 0.00 0.00 0.00 167 G 8.09 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 0.00 0.00 0.00 168 F 7.73 4.80 0.00 3.11 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 0.00 169 R 7.89 4.39 0.00 1.89 1.99 0.00 3.12 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 170 Q 7.92 4.07 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.61 2.39 0.00 171 H 8.38 4.38 0.00 3.16 3.70 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 8.02 4.15 0.00 3.19 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 0.00 173 A 7.87 4.24 1.36 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.