NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6451 8.4201 118.2163 52.5531 38.5500 174.5098 0 A 4.2117 7.0900 120.9646 51.2187 19.8054 175.2278 2 G 4.2862 8.2361 115.6497 44.7723 0.0000 170.0882 3 K 4.5329 8.0790 122.2592 54.1990 34.8016 175.2587 4 V 4.8647 9.1015 125.9389 60.8427 34.7010 173.8021 5 L 5.2348 8.9910 129.8226 53.5325 44.2716 174.9029 6 V 4.8691 9.3098 127.4569 61.5829 33.1220 174.1427 7 I 5.1649 8.9125 129.0141 59.5377 40.9815 173.6808 8 Y 5.2305 7.9522 124.6232 56.0081 41.7781 172.6321 9 D 5.0394 8.1927 119.1148 53.0374 44.9780 174.2401 10 T 4.3438 8.0959 112.1172 61.7663 69.4885 172.6413 11 R 4.3311 8.9072 127.7879 57.8327 30.9679 176.9632 12 T 4.4964 7.8786 103.0470 60.0030 70.3376 173.9574 13 G 4.0933 8.1275 109.4714 45.6733 0.0000 175.8102 14 N 4.3398 8.2232 117.1308 56.6564 38.7449 176.6158 15 T 4.1551 7.8276 113.4418 66.0805 69.2031 175.7600 16 K 3.1282 8.1806 122.4512 59.2293 32.2479 179.4962 17 K 4.1924 7.8387 114.7490 57.1508 31.7026 178.4730 *19 A 4.0112 8.0656 124.4183 52.2185 20.6715 179.8172 20 E 3.9437 8.1341 115.5537 59.4771 29.2973 179.5613 21 L 3.9786 7.5632 119.1053 57.3111 41.5658 179.6075 22 V 3.9849 7.6526 118.9109 65.5149 31.4818 177.5397 23 A 4.0145 7.9281 120.6895 55.3814 18.0283 179.4160 24 E 4.0324 8.1245 115.7020 59.0582 29.5845 179.4798 25 G 3.5824 8.1340 106.1811 47.7242 0.0000 175.1258 26 A 4.2607 8.2737 124.0443 54.9222 18.1994 179.9160 27 R 3.9883 8.1108 115.5336 58.7770 30.1462 179.0274 28 S 4.3977 7.5215 113.8823 59.6477 63.1010 174.0024 29 L 4.1473 7.4079 125.6350 53.4355 41.7076 175.3753 30 E 3.7844 8.6843 127.3032 58.2722 29.7527 176.8924 31 G 3.8681 8.9670 112.5585 46.8713 0.0000 172.6354 32 T 4.6087 7.3331 116.5774 61.4943 69.7697 173.9912 33 E 4.3808 9.4312 129.6071 55.7719 30.9596 175.4474 34 V 5.1706 8.6069 126.1954 61.1232 34.6128 174.2103 35 R 4.5678 9.3568 127.8920 54.3371 32.6384 173.8052 36 L 5.2511 8.6190 128.0879 53.3573 44.3356 175.4511 37 K 4.8173 9.1971 125.5056 54.5879 36.6420 175.9706 38 H 3.2573 9.1619 124.0724 55.3859 30.4852 176.5284 39 V 3.0755 7.4748 118.2685 64.4791 31.5018 178.7185 40 D 4.3365 8.0032 118.3499 56.3296 40.7298 176.6708 41 E 4.4300 7.6836 114.1343 55.6998 30.6789 176.2428 42 A 4.2501 7.2075 123.3633 52.2525 19.2946 176.8116 43 T 4.8357 8.4069 110.4395 59.1767 72.2168 175.2751 44 K 3.9612 8.7391 123.7925 60.1124 32.2809 178.5200 45 E 4.0984 7.8823 117.9163 59.4285 29.4053 179.1321 46 D 4.4197 7.9885 118.7610 57.2903 40.6049 178.9601 47 V 3.7541 7.7793 117.6202 65.9515 31.7423 177.6313 48 L 4.1854 7.7585 117.5633 57.5239 41.5104 178.9857 49 W 4.2351 8.4133 127.4763 59.2103 31.0575 176.5364 50 A 3.8787 7.6158 121.1909 51.9302 18.7376 177.0718 51 D 4.4345 8.6625 123.3645 56.5187 42.2492 176.9301 52 G 4.5829 7.8823 103.8529 44.2904 0.0000 171.5820 53 L 5.5621 9.5110 122.4393 52.5771 45.4970 175.2058 54 A 5.3801 9.2684 125.0073 50.1899 21.9230 175.3243 55 V 4.6989 8.8685 122.7577 61.0408 34.4147 174.5529 56 G 3.1182 8.6059 115.3673 44.1622 0.0000 171.8003 57 S 4.9696 8.1293 116.0119 55.6370 66.3716 171.6742 58 P 4.7152 0.0000 0.0000 62.9812 32.1311 175.7453 59 T 4.2107 8.6120 117.8451 61.5389 67.8056 174.2529 60 N 4.8943 8.9204 129.1273 53.1549 39.1870 176.5008 *62 G 3.9670 8.0833 105.9997 44.8993 0.0000 172.8387 63 L 4.6956 7.3963 118.8164 51.9797 45.7106 175.8522 64 V 3.7740 8.0808 120.0977 63.0918 31.8865 176.1548 65 S 4.4624 8.1146 119.5648 57.4381 63.8488 174.5891 66 W 4.3989 8.6642 118.5239 59.6534 28.2571 178.6630 67 K 3.7292 7.0543 114.8412 56.8604 31.0485 178.2739 *69 K 4.2692 8.1667 121.9603 56.5978 33.9299 177.6735 70 R 4.0290 8.7083 118.7167 59.4589 29.9035 177.8094 71 F 4.0412 8.5663 120.5130 61.6587 38.8679 177.2229 72 F 3.8093 8.6487 116.4811 60.5733 38.6165 177.3088 73 D 4.3158 8.6199 117.7450 57.0736 40.7465 177.6149 74 D 4.7963 8.1941 117.2648 55.0107 42.5757 178.3472 75 V 3.8855 7.3448 117.6943 63.5508 32.6248 177.6058 76 L 4.1568 7.4921 118.3176 55.6687 41.4750 178.8735 77 G 3.9359 7.6137 106.2783 48.3112 0.0000 175.4004 78 D 4.5072 8.0903 119.4025 56.7772 41.2467 177.8043 79 L 4.4557 8.1078 118.1109 54.0226 41.7991 176.4629 80 W 4.1665 7.4340 130.1620 59.0982 30.7273 175.9342 81 G 3.4718 8.7070 114.2915 45.0376 0.0000 173.1706 82 E 4.6876 8.1562 114.8480 55.5979 30.5616 175.6934 83 I 4.6403 7.5187 112.4403 60.7676 37.9156 174.8992 84 D 4.8947 7.4392 120.1272 56.4388 41.1029 177.4171 85 G 4.0797 8.8625 111.3537 44.7871 0.0000 174.0198 86 K 4.0605 7.4875 119.2094 56.3939 33.4043 175.9240 87 I 5.0191 8.2136 123.1948 60.1759 39.5595 174.7721 88 A 5.8946 9.4251 126.3312 51.5501 23.3859 174.7588 89 C 4.8680 8.4179 112.8891 57.3708 33.6456 172.1067 90 A 5.3839 8.3239 118.5897 50.8220 22.6120 175.0345 91 F 5.3992 8.6472 113.1578 56.1399 41.9091 173.2044 92 S 5.4723 9.3133 114.0917 57.4207 66.3792 172.4404 93 S 5.2481 8.7387 120.9301 56.5692 64.6819 172.8853 94 S 4.9819 8.4034 121.0179 56.0399 65.9012 175.3897 95 G 3.8468 8.7573 108.5572 47.9244 0.0000 173.7720 96 G 4.0390 7.2716 106.3346 44.0535 0.0000 172.7812 97 W 4.3931 8.4475 121.1963 57.7627 29.5031 177.1707 98 G 4.0081 9.3267 110.8303 45.7355 0.0000 173.9880 99 G 3.7183 7.7740 107.1030 45.5435 0.0000 174.9112 100 G 4.1197 8.2648 109.1079 45.3440 0.0000 175.3815 101 N 4.3292 8.2505 120.0026 55.8790 37.0159 176.9645 102 E 4.0037 8.0878 119.6027 59.0208 29.6856 178.9895 103 V 3.6672 7.6925 116.9979 65.7543 32.0099 177.4382 104 A 4.3103 8.3009 122.3333 54.6397 18.2390 179.8612 105 C 3.8811 8.1122 115.1830 60.3268 29.2048 176.3188 *107 S 4.3760 8.0862 116.8381 58.5058 64.6064 175.7622 108 I 3.6345 7.7404 120.7639 64.0495 36.9217 177.5649 109 L 4.1471 7.8266 118.7405 58.1393 41.4938 179.1567 110 T 3.9975 7.3073 109.7743 64.7908 67.7906 174.5325 *112 L 4.0716 7.7365 120.6964 54.7430 43.0583 178.3090 *114 N 4.7401 8.2411 118.6305 53.6794 40.6644 174.7541 115 F 3.8138 8.0673 114.6519 57.5061 39.3575 176.9196 116 G 4.1191 8.0667 108.8148 46.3859 0.0000 173.3690 117 F 5.1580 7.9028 117.2801 57.5110 40.0627 174.5834 118 L 4.7891 8.9942 122.3898 53.7127 43.1426 176.2187 119 V 5.6811 8.6927 122.2745 59.0748 34.4633 174.4693 120 F 5.0465 8.5162 116.2652 56.1232 41.2032 173.1293 121 G 4.8384 8.6188 107.4280 42.7680 0.0000 171.6830 122 V 4.5787 8.2156 118.3061 61.0224 33.7074 177.3153 123 T 4.0549 8.8844 117.5350 64.4388 69.1783 174.9230 124 D 3.6892 7.9539 120.1168 54.7450 41.3286 175.5583 125 Y 4.5897 8.3089 121.4938 56.6901 39.1300 176.6292 126 V 4.1458 8.9962 124.0716 61.5812 33.5213 175.3036 127 G 4.6623 7.9975 107.6774 41.9761 0.0000 173.1985 128 K 4.1758 8.7743 117.6530 59.0291 32.6572 177.5261 129 K 4.8458 7.5281 116.4496 55.5601 33.2643 175.9677 130 F 4.2994 8.1057 120.5318 56.8993 41.9588 172.8274 131 T 4.3213 7.1629 122.3037 61.5515 70.3912 172.8961 132 L 4.6114 7.6422 116.5687 54.7099 40.4137 176.5435 133 H 4.2994 7.9539 116.8140 58.7400 29.1333 176.8801 134 Y 4.6188 8.5435 113.1396 56.9272 39.3152 174.3549 135 G 4.6991 8.1149 104.3968 43.4439 0.0000 173.0889 136 A 4.2848 8.4008 123.0147 51.9553 19.3219 177.1115 137 V 5.4534 8.3828 114.9674 58.6488 35.6340 175.2292 138 V 4.6068 8.0654 121.8749 61.3385 35.6475 173.1258 139 A 4.3409 7.8592 126.9289 50.8367 19.5283 178.0354 140 G 3.6524 8.9444 112.6104 46.3889 0.0000 172.9745 141 E 4.0925 8.6321 124.6609 54.4870 30.3844 174.6511 142 P 4.3867 0.0000 0.0000 63.4897 30.9387 175.3727 143 R 4.3932 8.9577 123.1159 57.3104 32.3385 177.9817 144 S 4.3635 7.9174 111.9168 57.8335 65.1601 174.6630 145 E 3.8946 8.4515 122.3449 59.0829 29.4380 178.2890 146 E 3.7522 7.9840 118.3213 59.5225 29.6005 179.0257 147 E 3.9377 7.6892 117.9614 59.4251 29.5939 179.6200 148 K 3.9094 7.9030 118.3670 59.5625 32.1440 179.0866 149 E 3.9132 8.4157 119.4359 58.9523 29.5998 178.4974 150 A 4.0605 8.4183 121.3985 55.5192 18.5608 179.4220 151 C 3.9956 7.9888 114.6895 62.9858 28.1809 176.6298 152 R 4.0446 7.9791 119.6550 59.2243 29.5791 179.0567 153 R 3.8229 8.4689 118.9359 59.1305 30.0432 178.1563 154 L 4.0850 7.8313 119.8563 58.1898 41.9817 179.2843 155 G 3.5783 7.9494 104.9581 47.9264 0.0000 174.8576 156 R 3.8885 7.9802 121.3997 59.6258 29.9527 178.3566 157 R 3.8061 8.3175 119.6706 58.4224 30.0370 178.3587 158 L 4.1203 8.1090 119.9449 58.2311 42.0893 178.8407 159 A 4.0131 8.2360 120.8874 55.1844 18.2708 179.4149 160 E 3.7870 8.6286 117.3715 59.4261 29.4624 179.7142 161 W 4.7468 8.2654 119.3669 59.8095 28.9823 178.7625 162 V 3.6523 8.1624 118.0809 65.9629 30.8969 177.9340 163 A 3.9448 8.2987 120.7901 55.2097 17.7470 179.7746 164 I 3.6530 8.0478 118.5489 64.2605 37.0143 178.2679 165 F 4.3857 7.8920 116.5813 58.6142 39.4104 177.3408 166 V 3.9647 7.8695 117.3455 64.9635 31.9330 176.3844 167 D 4.4297 8.0012 117.0204 54.3177 41.4252 176.5197 168 G 3.7221 7.5100 105.8188 47.4497 0.0000 175.1768 169 R 4.6261 7.7065 120.3127 53.7090 28.6672 177.4880 170 K 4.0139 7.8996 121.3020 58.9633 32.0269 178.3013 171 E 4.0073 8.1254 118.3893 58.9586 29.2652 178.9836 172 L 3.7587 7.7902 118.9865 57.0985 41.5783 178.8867 173 L 4.0004 7.5619 120.8025 58.4611 42.0833 178.8664 174 E 4.0236 8.1302 118.4283 58.9085 29.4052 178.6783 175 K 3.9991 7.3953 117.8706 59.3699 32.5334 179.0660 176 I 3.8309 7.9978 120.2161 64.5481 36.8472 178.6933 177 R 4.1143 8.0332 117.5163 58.4990 29.9217 178.3088 178 K 4.6939 7.5196 114.6191 55.1225 32.6914 176.1803 179 D 4.5741 7.7545 120.5142 53.1225 41.7362 175.1521 180 P 4.4320 0.0000 0.0000 65.3258 31.2463 178.0764 181 A 4.2150 8.2533 119.3672 54.0668 18.7573 178.5442 182 R 3.7930 7.8664 114.6241 57.4790 30.2293 176.1152 183 F 4.7489 7.6674 115.5229 55.4063 40.6545 175.0981 184 V 3.8677 8.7311 124.8981 63.0079 31.2588 175.8054 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 -1 N 8.42 4.65 0.00 2.82 2.96 0.00 0.00 6.03 6.38 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 A 7.09 4.21 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 2 G 8.24 4.29 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 0.00 3 K 8.08 4.53 0.00 1.13 0.74 0.00 1.19 0.00 0.00 0.79 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.90 7.81 4 V 9.10 4.86 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 1.13 0.00 0.00 0.97 0.00 0.00 5 L 8.99 5.23 0.00 1.99 1.66 1.02 0.71 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 6 V 9.31 4.87 2.22 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 1.21 0.00 0.00 1.02 0.00 0.00 7 I 8.91 5.16 1.84 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.24 1.03 0.00 0.00 8 Y 7.95 5.23 0.00 3.10 3.11 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 9 D 8.19 5.04 0.00 2.46 2.41 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 10 T 8.10 4.34 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 1.36 0.00 0.00 11 R 8.91 4.33 0.00 1.80 1.91 0.00 3.24 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 12 T 7.88 4.50 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 13 G 8.13 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 0.00 0.00 0.00 14 N 8.22 4.34 0.00 2.71 3.05 0.00 0.00 7.02 7.54 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 15 T 7.83 4.16 4.44 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 1.32 0.00 0.00 16 K 8.18 3.13 0.00 1.72 1.94 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.13 7.81 17 K 7.84 4.19 0.00 2.06 1.76 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.40 7.81 *19 A 8.07 4.01 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 20 E 8.13 3.94 0.00 2.07 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 2.27 2.29 0.00 21 L 7.56 3.98 0.00 1.53 1.61 0.86 0.70 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 22 V 7.65 3.98 1.88 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 1.34 0.00 0.00 0.14 0.00 0.00 23 A 7.93 4.01 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 24 E 8.12 4.03 0.00 2.22 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 0.00 2.35 2.28 0.00 25 G 8.13 3.58 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 0.00 0.00 0.00 26 A 8.27 4.26 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 27 R 8.11 3.99 0.00 1.98 2.02 0.00 3.18 0.00 0.00 3.30 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 28 S 7.52 4.40 0.00 3.94 4.14 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 29 L 7.41 4.15 0.00 1.61 1.57 0.90 0.71 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 E 8.68 3.78 0.00 1.93 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 31 G 8.97 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 0.00 0.00 0.00 32 T 7.33 4.61 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 1.26 0.00 0.00 33 E 9.43 4.38 0.00 2.17 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 0.00 2.80 2.45 0.00 34 V 8.61 5.17 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 0.93 0.00 0.00 1.00 0.00 0.00 35 R 9.36 4.57 0.00 1.74 1.70 0.00 2.34 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.28 0.00 36 L 8.62 5.25 0.00 1.70 1.58 1.19 0.61 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 37 K 9.20 4.82 0.00 1.50 1.48 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.70 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.43 7.81 38 H 9.16 3.26 0.00 2.85 2.94 0.00 5.60 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 39 V 7.47 3.08 1.80 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 0.27 0.00 0.00 0.54 0.00 0.00 40 D 8.00 4.34 0.00 2.69 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 41 E 7.68 4.43 0.00 2.04 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 2.13 0.00 42 A 7.21 4.25 0.87 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 0.00 0.00 43 T 8.41 4.84 4.42 0.00 0.00 0.00 0.00 0.00 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 44 K 8.74 3.96 0.00 1.82 1.87 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.54 7.81 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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 54 A 9.27 5.38 1.44 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 0.00 0.00 55 V 8.87 4.70 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 0.87 0.00 0.00 1.13 0.00 0.00 56 G 8.61 3.12 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 0.00 0.00 0.00 57 S 8.13 4.97 0.00 3.75 3.50 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 58 P 0.00 4.72 0.00 2.09 2.02 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 59 T 8.61 4.21 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 60 N 8.92 4.89 0.00 2.81 2.78 0.00 0.00 6.43 7.28 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 *62 G 8.08 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 C 8.42 4.87 0.00 2.43 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.32 5.38 1.19 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 0.00 0.00 0.00 91 F 8.65 5.40 0.00 3.20 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 92 S 9.31 5.47 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 93 S 8.74 5.25 0.00 3.93 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 94 S 8.40 4.98 0.00 3.81 3.81 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 95 G 8.76 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 0.00 0.00 0.00 96 G 7.27 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 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0.00 0.00 0.00 0.00 0.00 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 S 8.09 4.38 0.00 3.99 4.13 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 0.00 108 I 7.74 3.63 1.96 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.42 0.80 0.00 0.00 109 L 7.83 4.15 0.00 1.67 1.78 1.09 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.31 4.00 4.43 0.00 0.00 0.00 0.00 0.00 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 *112 L 7.74 4.07 0.00 1.85 2.03 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *114 N 8.24 4.74 0.00 2.96 2.99 0.00 0.00 7.24 7.02 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 0.00 115 F 8.07 3.81 0.00 2.38 2.27 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 0.00 116 G 8.07 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 125 Y 8.31 4.59 0.00 3.30 3.22 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 0.00 126 V 9.00 4.15 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 0.89 0.00 0.00 0.92 0.00 0.00 127 G 8.00 4.66 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 0.00 0.00 0.00 128 K 8.77 4.18 0.00 1.92 2.03 0.00 1.46 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.58 7.81 129 K 7.53 4.85 0.00 1.84 1.82 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.39 7.81 130 F 8.11 4.30 0.00 3.02 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 0.00 131 T 7.16 4.32 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 0.47 0.00 0.00 132 L 7.64 4.61 0.00 1.85 1.78 0.89 0.68 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 0.00 133 H 7.95 4.30 0.00 2.75 2.64 0.00 5.83 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 8.54 4.62 0.00 2.98 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 0.00 135 G 8.11 4.70 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 0.00 0.00 0.00 136 A 8.40 4.28 1.28 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 0.00 137 V 8.38 5.45 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 0.75 0.00 0.00 1.05 0.00 0.00 138 V 8.07 4.61 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 1.06 0.00 0.00 1.10 0.00 0.00 139 A 7.86 4.34 0.48 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 0.00 140 G 8.94 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.63 4.09 0.00 2.17 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 2.27 2.28 0.00 142 P 0.00 4.39 0.00 2.20 2.11 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 143 R 8.96 4.39 0.00 1.79 1.97 0.00 3.16 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 144 S 7.92 4.36 0.00 3.94 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 0.00 145 E 8.45 3.89 0.00 2.05 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 2.41 0.00 146 E 7.98 3.75 0.00 1.51 1.12 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 2.25 2.24 0.00 147 E 7.69 3.94 0.00 2.10 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 0.00 2.53 2.00 0.00 148 K 7.90 3.91 0.00 1.90 1.81 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.58 7.81 149 E 8.42 3.91 0.00 2.14 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 2.34 0.00 150 A 8.42 4.06 1.64 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 0.00 151 C 7.99 4.00 0.00 3.16 2.82 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 0.00 152 R 7.98 4.04 0.00 1.99 1.92 0.00 3.28 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 153 R 8.47 3.82 0.00 1.94 2.00 0.00 3.05 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 154 L 7.83 4.08 0.00 1.80 1.72 0.91 1.08 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 0.00 155 G 7.95 3.58 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 0.00 0.00 0.00 156 R 7.98 3.89 0.00 2.01 1.88 0.00 3.29 0.00 0.00 2.97 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 157 R 8.32 3.81 0.00 1.78 1.87 0.00 2.22 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 0.00 158 L 8.11 4.12 0.00 2.24 1.95 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.24 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.63 3.79 0.00 1.64 1.64 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 2.16 2.25 0.00 161 W 8.27 4.75 0.00 3.30 3.11 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 0.00 162 V 8.16 3.65 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 1.05 0.00 0.00 1.06 0.00 0.00 163 A 8.30 3.94 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 0.00 164 I 8.05 3.65 1.24 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.82 0.25 0.00 0.00 165 F 7.89 4.39 0.00 3.15 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 0.00 166 V 7.87 3.96 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 0.75 0.00 0.00 0.97 0.00 0.00 167 D 8.00 4.43 0.00 2.72 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 0.00 168 G 7.51 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 0.00 169 R 7.71 4.63 0.00 1.99 1.83 0.00 3.11 0.00 0.00 3.31 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 170 K 7.90 4.01 0.00 1.77 1.83 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.61 7.81 171 E 8.13 4.01 0.00 2.03 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 2.38 2.44 0.00 172 L 7.79 3.76 0.00 1.66 1.66 0.85 0.30 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 0.00 173 L 7.56 4.00 0.00 1.67 1.79 1.12 0.82 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 0.00 174 E 8.13 4.02 0.00 2.13 1.93 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 2.39 2.47 0.00 175 K 7.40 4.00 0.00 1.81 1.84 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.66 7.81 176 I 8.00 3.83 2.02 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.14 0.81 0.00 0.00 177 R 8.03 4.11 0.00 1.97 2.07 0.00 3.21 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 178 K 7.52 4.69 0.00 1.90 1.83 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.48 7.81 179 D 7.75 4.57 0.00 2.98 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 0.00 180 P 0.00 4.43 0.00 2.23 2.13 0.00 3.67 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 181 A 8.25 4.22 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 0.00 182 R 7.87 3.79 0.00 1.74 1.40 0.00 3.00 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 183 F 7.67 4.75 0.00 3.00 2.98 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 0.00 184 V 8.73 3.87 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 0.76 0.00 0.00 1.04 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.