NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3430 8.1133 119.7046 56.3977 32.5321 177.4634 4 D 4.1965 8.0194 117.3462 56.3416 40.6811 176.9134 5 L 3.9995 8.2022 120.7895 58.2439 42.5551 178.6364 6 G 3.7140 8.0992 104.8900 47.9183 0.0000 175.1377 7 R 3.8719 7.7397 120.9228 59.2419 30.0529 178.6687 8 L 3.9971 8.0397 118.7357 57.4785 41.5848 179.1679 9 L 3.8905 8.4059 120.7920 58.0445 42.0556 179.0092 10 K 3.9268 7.9557 119.3712 59.4785 32.0779 178.8135 11 I 3.6574 7.7043 119.7317 64.4111 36.8545 178.2836 12 A 3.9609 7.9385 120.3427 55.1967 18.2561 179.3109 13 S 4.1054 7.9116 110.6609 61.6017 62.7455 175.8762 14 N 4.5312 8.2640 119.2291 56.0599 38.2376 177.7912 15 Q 4.1117 8.1776 116.8793 56.9552 28.8686 178.6177 *17 S 4.2641 8.0282 118.4298 59.0013 65.2128 176.3530 18 T 3.8856 8.0797 116.8291 66.8558 68.1669 176.8567 19 R 4.0728 8.0901 119.8001 59.3782 30.0485 179.1933 20 F 4.6476 8.2894 117.1409 60.8899 39.0199 177.3257 21 D 4.4410 8.5522 118.6064 57.3102 40.3713 178.8874 22 I 3.7254 7.6465 119.4988 64.3077 37.3098 177.9128 23 F 4.2287 8.2572 121.2178 61.3469 39.1453 177.0900 24 A 3.7565 8.2476 120.5032 54.7971 18.2992 179.4160 25 K 3.8915 8.1553 118.1509 59.5377 31.9177 179.0719 26 K 3.8377 7.4611 117.8713 58.2704 31.7453 177.2089 27 Y 4.4099 7.1604 115.3510 57.1730 38.1586 174.8503 28 D 4.3847 7.7110 116.7038 55.5886 40.0812 173.2930 29 L 4.8793 7.7318 114.8288 52.4959 45.2761 176.5999 30 T 4.3730 8.2180 110.7408 60.5573 70.2305 175.1178 31 G 4.0445 9.2189 112.7134 49.3821 0.0000 175.3754 32 T 4.0498 8.1531 116.8099 66.5777 68.7735 177.5444 33 Q 4.2118 8.0904 118.7696 56.5514 28.4815 178.6447 *35 T 4.3762 7.9836 110.6607 61.8361 70.9467 176.1376 36 I 3.7192 7.5061 122.6163 64.0909 37.0638 178.1730 37 I 3.6984 7.8093 120.7005 64.4643 37.0158 177.7532 38 D 4.3455 8.1769 118.1693 57.5740 40.8190 177.5340 39 Y 4.2082 8.0346 118.3381 60.9511 39.3733 177.7461 40 L 3.8343 8.3846 120.2514 57.7215 41.4600 179.4195 41 S 4.0933 8.3196 112.6445 61.3017 62.4293 175.7915 42 R 4.2894 7.6964 117.8672 56.9457 30.4636 176.3478 43 N 5.1465 7.6416 116.5717 52.7966 39.8222 176.5940 44 K 4.0981 8.2142 119.3765 58.6920 32.3337 178.2851 45 N 4.4706 8.1160 115.6665 54.2547 37.4499 174.6263 46 K 4.6683 7.4881 116.5432 54.6345 35.6737 175.0872 47 E 4.2907 8.5601 119.3212 55.7642 30.6128 176.2029 48 V 4.3032 8.3051 124.2603 61.2129 33.7479 174.8992 49 L 4.6338 9.0857 128.7766 53.8511 43.1677 178.0059 50 Q 3.9753 8.9509 121.2793 59.7868 28.7780 179.1784 51 R 3.9670 8.0193 116.2308 59.2580 29.3925 178.4964 52 D 4.3439 8.0558 119.2360 57.2201 40.9376 178.2251 53 L 4.0468 7.9887 120.7335 58.1158 42.0952 178.6289 54 E 4.0051 8.5848 118.9849 59.8530 29.1070 179.7104 55 S 4.1805 8.1466 114.9834 61.3831 62.6224 176.3619 56 E 3.6700 8.0668 121.4678 58.4006 29.4941 177.8001 57 F 4.2972 8.2007 114.6842 55.8870 40.3566 175.3286 58 S 3.7448 7.4505 112.6789 59.5448 61.0706 171.6368 59 I 4.6087 7.4988 111.6553 58.3783 40.3215 176.5787 60 K 4.0414 8.4263 121.4781 56.6979 33.7808 178.1772 61 S 4.6584 8.9879 120.4251 61.2324 62.8731 177.3604 62 S 4.1076 8.0272 116.0858 61.8048 62.7584 176.2696 63 T 3.8071 7.9851 118.9354 66.2475 68.1395 176.0994 64 A 3.9641 8.1548 122.4480 55.4072 18.4322 179.5891 65 T 3.7916 8.1798 114.6141 66.8973 68.6036 176.8984 66 V 3.5435 7.6656 119.7251 65.8766 31.3622 177.6897 67 L 3.9276 7.6670 118.6489 58.3137 42.0087 178.7029 68 L 4.1421 7.9944 117.8799 57.6431 41.8802 179.0054 69 Q 4.2113 8.5623 118.4953 58.8657 28.8363 180.3403 70 R 4.0928 7.9165 118.7064 56.5015 30.1392 177.7824 *72 E 4.4664 8.2247 119.7373 55.8064 31.4707 177.6334 73 I 3.7478 7.8150 118.6273 64.3000 37.1518 177.0635 74 K 4.2233 7.9185 116.4076 56.0518 31.8797 176.7588 75 K 3.9124 7.7024 117.3904 57.7728 30.0246 176.2324 76 L 4.6088 7.9111 118.6539 55.2706 43.7153 176.7000 77 L 5.4956 7.9185 116.6583 53.0969 46.0289 174.7413 78 Y 5.0483 8.9145 118.1682 55.7964 42.2525 173.8722 79 R 5.1774 8.6993 117.4462 54.2517 33.6433 175.2460 80 K 4.7727 8.6894 121.2316 54.5543 36.6959 175.7089 81 V 4.0127 8.5142 121.4488 63.5397 31.7521 175.8993 82 S 4.6681 8.7246 122.6016 57.4740 64.2871 174.6274 83 G 3.7589 9.5259 111.9217 48.1872 0.0000 175.6904 84 K 4.0536 8.5772 119.0576 59.1031 33.0068 176.7878 85 D 4.4859 8.2926 119.6862 52.5637 41.9032 175.1156 86 S 4.2672 8.6441 121.4109 60.9427 62.8732 176.2431 87 R 4.2020 8.1063 118.2035 57.3545 30.3587 176.0432 88 Q 4.7721 8.3643 117.4868 53.9029 32.9554 174.3577 89 K 5.0642 8.5878 120.7878 55.1140 34.2005 176.0103 90 C 4.7270 9.0181 119.3952 57.4085 32.1215 172.1379 91 L 5.0075 8.3892 120.3793 53.3772 42.7707 176.4420 92 K 4.5633 8.5800 122.3287 54.1803 36.3521 175.7099 93 L 4.7570 8.4427 123.5919 54.9388 42.5351 177.1809 94 T 4.4072 8.6339 113.8901 60.9552 70.3269 175.8794 95 K 4.2087 8.6389 121.9477 58.6780 31.6808 179.3697 96 K 3.8972 8.0534 118.6429 59.6633 32.3689 178.2162 97 A 4.1298 7.9424 120.5573 55.2050 17.8251 179.1171 98 N 5.0838 8.3867 116.5816 55.9649 38.3950 177.3994 99 K 4.1515 7.7659 118.2739 58.0716 32.4725 178.1244 100 L 4.3992 7.9568 118.6715 54.6524 42.2395 178.1983 101 E 3.9511 7.8572 120.1742 59.6121 29.5868 179.1758 102 T 3.8859 7.8061 109.3815 64.8809 68.8686 176.1919 103 I 3.8301 7.6394 120.9278 63.4917 37.8455 177.9034 104 I 3.8934 7.5772 120.2593 64.3195 37.0929 177.8621 105 L 4.2621 7.9041 118.7477 57.8847 41.7055 179.3065 106 S 4.2300 7.9369 112.5471 61.4540 62.2922 175.7867 107 Y 3.8593 7.6722 118.3640 58.9352 38.3401 177.1516 *109 D 4.4373 7.9787 119.7032 54.2099 43.0942 177.8512 110 S 3.9777 8.0329 113.1531 61.1777 62.0758 175.5284 111 D 4.1128 7.9209 120.1243 57.2327 40.9629 177.7762 112 Q 4.0932 7.7955 118.2404 59.4976 29.2695 178.0134 113 S 4.3124 7.6956 114.5911 61.3729 62.9425 177.3908 114 Q 4.2014 8.2205 120.1516 56.0943 28.3196 177.4838 *116 T 4.3245 7.7478 108.0059 61.0505 70.2879 173.0540 117 S 4.1876 7.5945 116.7882 60.7942 62.5154 174.6266 118 G 4.0270 8.9924 115.9928 45.3010 0.0000 173.4157 119 L 4.4940 7.5177 119.4672 54.0352 42.8337 176.6625 120 N 4.6556 9.2202 120.1768 52.6440 39.6965 176.3610 121 K 3.8797 8.9341 120.8012 60.0909 32.1047 179.3502 122 E 4.0488 8.1428 116.8696 59.3493 29.5000 178.8938 123 E 4.0931 8.1380 119.2864 59.1836 29.5385 179.3405 124 V 3.5895 7.7677 117.8623 65.9859 31.6938 178.0576 125 V 3.7756 7.7893 117.9165 65.9563 31.3324 177.6722 126 F 4.4211 8.4346 120.3768 61.4163 39.1987 176.8841 127 L 3.7823 8.1349 118.5867 57.9263 41.4496 179.3817 128 E 3.9295 8.1829 118.2253 59.5014 29.4196 179.7047 129 K 4.0105 8.1416 118.3920 59.3308 31.8483 179.5214 130 I 3.5548 7.5193 119.3372 64.3308 37.0811 178.0905 131 L 4.0803 7.7192 118.4879 57.7043 41.4775 179.3071 132 K 4.0951 8.1023 118.3831 59.3583 32.1476 180.3210 133 R 3.8901 7.7592 117.2116 56.7896 29.7184 178.1745 *135 I 4.1722 7.7500 119.5378 60.8053 38.9675 176.7169 136 E 4.2353 7.7902 117.4412 57.1142 29.8419 176.7272 137 S 4.2836 7.4652 117.5845 58.5736 62.8474 174.0419 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 3 R 8.11 4.34 0.00 1.88 2.03 0.00 3.10 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 4 D 8.02 4.20 0.00 2.76 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 5 L 8.20 4.00 0.00 1.73 1.65 0.89 1.01 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 6 G 8.10 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 7 R 7.74 3.87 0.00 1.96 2.09 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 8 L 8.04 4.00 0.00 1.86 1.68 0.91 0.38 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 9 L 8.41 3.89 0.00 1.82 1.82 0.89 0.48 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 10 K 7.96 3.93 0.00 1.88 1.92 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 11 I 7.70 3.66 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.59 0.90 0.00 0.00 12 A 7.94 3.96 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 13 S 7.91 4.11 0.00 3.86 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 14 N 8.26 4.53 0.00 2.82 2.82 0.00 0.00 7.03 7.15 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 15 Q 8.18 4.11 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.39 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 *17 S 8.03 4.26 0.00 3.86 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 18 T 8.08 3.89 4.41 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 1.23 0.00 0.00 19 R 8.09 4.07 0.00 2.04 2.27 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 20 F 8.29 4.65 0.00 3.27 3.14 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 21 D 8.55 4.44 0.00 3.00 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 22 I 7.65 3.73 1.97 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 1.44 0.60 0.96 0.00 0.00 23 F 8.26 4.23 0.00 2.61 2.67 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 24 A 8.25 3.76 1.46 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 0.00 0.00 25 K 8.16 3.89 0.00 1.91 1.77 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.44 7.81 26 K 7.46 3.84 0.00 0.89 1.26 0.00 1.54 0.00 0.00 1.56 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.54 7.81 27 Y 7.16 4.41 0.00 2.79 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 28 D 7.71 4.38 0.00 2.78 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 29 L 7.73 4.88 0.00 1.75 1.51 0.90 0.94 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 30 T 8.22 4.37 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 1.21 0.00 0.00 31 G 9.22 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 32 T 8.15 4.05 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 1.12 0.00 0.00 33 Q 8.09 4.21 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.38 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 *35 T 7.98 4.38 4.46 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 1.39 0.00 0.00 36 I 7.51 3.72 1.92 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.90 0.00 0.00 37 I 7.81 3.70 1.88 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 1.41 0.70 0.91 0.00 0.00 38 D 8.18 4.35 0.00 2.82 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 39 Y 8.03 4.21 0.00 3.30 3.46 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 40 L 8.38 3.83 0.00 1.70 1.64 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.32 4.09 0.00 3.85 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 42 R 7.70 4.29 0.00 1.83 1.94 0.00 3.17 0.00 0.00 3.51 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 43 N 7.64 5.15 0.00 2.33 2.49 0.00 0.00 6.91 6.19 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 44 K 8.21 4.10 0.00 1.70 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.53 7.81 45 N 8.12 4.47 0.00 2.81 2.93 0.00 0.00 5.82 7.13 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 46 K 7.49 4.67 0.00 1.85 1.76 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.33 7.81 47 E 8.56 4.29 0.00 1.87 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 2.27 2.29 0.00 48 V 8.31 4.30 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 1.32 0.00 0.00 0.85 0.00 0.00 49 L 9.09 4.63 0.00 1.73 1.58 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.95 3.98 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.90 0.00 0.00 0.00 0.00 0.00 2.65 2.45 0.00 51 R 8.02 3.97 0.00 2.09 2.19 0.00 3.03 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 52 D 8.06 4.34 0.00 2.99 2.86 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 53 L 7.99 4.05 0.00 1.91 1.92 0.94 0.93 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 54 E 8.58 4.01 0.00 2.23 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 2.47 2.49 0.00 55 S 8.15 4.18 0.00 3.99 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 56 E 8.07 3.67 0.00 1.92 1.70 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 1.66 1.47 0.00 57 F 8.20 4.30 0.00 3.13 3.07 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 58 S 7.45 3.74 0.00 3.95 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 59 I 7.50 4.61 1.89 0.00 0.00 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 1.36 0.86 1.00 0.00 0.00 60 K 8.43 4.04 0.00 1.82 1.79 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.55 7.81 61 S 8.99 4.66 0.00 3.86 3.93 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 62 S 8.03 4.11 0.00 4.04 4.12 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 63 T 7.99 3.81 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 1.20 0.00 0.00 64 A 8.15 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.18 3.79 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 1.25 0.00 0.00 66 V 7.67 3.54 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 0.99 0.00 0.00 0.98 0.00 0.00 67 L 7.67 3.93 0.00 1.70 1.88 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.99 4.14 0.00 1.69 1.70 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.56 4.21 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.12 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 70 R 7.92 4.09 0.00 1.93 2.03 0.00 3.17 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 *72 E 8.22 4.47 0.00 2.29 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 2.40 2.46 0.00 73 I 7.81 3.75 2.02 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 1.30 0.77 0.91 0.00 0.00 74 K 7.92 4.22 0.00 1.79 1.85 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.59 7.81 75 K 7.70 3.91 0.00 1.93 1.91 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.56 7.81 76 L 7.91 4.61 0.00 1.61 1.71 0.92 0.54 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 77 L 7.92 5.50 0.00 1.47 1.52 0.93 0.75 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 78 Y 8.91 5.05 0.00 2.95 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 79 R 8.70 5.18 0.00 1.68 1.81 0.00 3.42 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 80 K 8.69 4.77 0.00 1.83 1.95 0.00 1.43 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.19 1.34 7.81 81 V 8.51 4.01 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 0.86 0.00 0.00 0.94 0.00 0.00 82 S 8.72 4.67 0.00 4.02 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 83 G 9.53 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 0.00 0.00 0.00 84 K 8.58 4.05 0.00 1.86 2.04 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.38 7.81 85 D 8.29 4.49 0.00 2.66 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 86 S 8.64 4.27 0.00 4.02 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 87 R 8.11 4.20 0.00 1.98 2.02 0.00 3.10 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 88 Q 8.36 4.77 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 89 K 8.59 5.06 0.00 1.62 1.77 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.42 7.81 90 C 9.02 4.73 0.00 3.02 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 91 L 8.39 5.01 0.00 1.51 1.58 0.96 1.04 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 92 K 8.58 4.56 0.00 0.79 1.33 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.99 1.19 7.81 93 L 8.44 4.76 0.00 1.55 1.63 0.97 0.89 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 T 8.63 4.41 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 1.35 0.00 0.00 95 K 8.64 4.21 0.00 1.81 1.90 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.35 7.81 96 K 8.05 3.90 0.00 1.75 2.01 0.00 1.79 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.53 7.81 97 A 7.94 4.13 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 98 N 8.39 5.08 0.00 2.93 2.91 0.00 0.00 6.65 8.25 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 99 K 7.77 4.15 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.66 7.81 100 L 7.96 4.40 0.00 1.68 1.49 0.90 0.66 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 0.00 101 E 7.86 3.95 0.00 1.95 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 2.32 2.48 0.00 102 T 7.81 3.89 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 0.00 103 I 7.64 3.83 1.84 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.41 0.46 0.00 0.00 104 I 7.58 3.89 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.70 0.95 0.00 0.00 105 L 7.90 4.26 0.00 1.59 1.72 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.94 4.23 0.00 4.05 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 0.00 107 Y 7.67 3.86 0.00 2.21 2.50 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 0.00 0.00 0.00 *109 D 7.98 4.44 0.00 2.84 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 0.00 110 S 8.03 3.98 0.00 3.78 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 0.00 111 D 7.92 4.11 0.00 2.04 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 0.00 112 Q 7.80 4.09 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 113 S 7.70 4.31 0.00 3.87 3.89 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 0.00 114 Q 8.22 4.20 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 *116 T 7.75 4.32 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 0.00 117 S 7.59 4.19 0.00 3.87 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 0.00 118 G 8.99 4.03 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 0.00 119 L 7.52 4.49 0.00 1.73 1.62 0.93 0.90 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 0.00 120 N 9.22 4.66 0.00 2.85 2.98 0.00 0.00 6.91 6.64 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 0.00 121 K 8.93 3.88 0.00 1.79 1.89 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.53 7.81 122 E 8.14 4.05 0.00 2.13 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 2.34 2.30 0.00 123 E 8.14 4.09 0.00 2.26 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 0.00 2.38 2.33 0.00 124 V 7.77 3.59 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 1.04 0.00 0.00 0.99 0.00 0.00 125 V 7.79 3.78 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 0.98 0.00 0.00 0.98 0.00 0.00 126 F 8.43 4.42 0.00 3.13 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 0.00 127 L 8.13 3.78 0.00 1.92 1.66 0.93 0.71 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 0.00 128 E 8.18 3.93 0.00 2.19 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 2.32 2.51 0.00 129 K 8.14 4.01 0.00 1.99 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.72 1.69 7.81 130 I 7.52 3.55 1.74 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.02 0.75 0.00 0.00 131 L 7.72 4.08 0.00 1.73 1.69 0.88 0.75 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 0.00 132 K 8.10 4.10 0.00 1.94 1.85 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.60 7.81 133 R 7.76 3.89 0.00 1.97 2.01 0.00 3.11 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 *135 I 7.75 4.17 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 0.89 0.00 0.00 136 E 7.79 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 2.53 2.37 0.00 137 S 7.47 4.28 0.00 4.05 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 * Residues marked with a * may have inaccurate shift predictions.