NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2034 8.1733 122.1350 54.2357 33.2384 175.9782 4 I 4.2594 7.3391 121.9344 59.5811 37.8865 174.8943 5 R 4.1704 9.6780 129.1993 58.8633 31.4910 176.6501 6 K 4.7873 7.8599 116.2358 54.8156 36.8409 175.3569 7 I 5.1137 8.3973 122.9371 59.5686 40.6721 174.7556 8 A 4.6907 9.2935 126.9721 50.1737 22.7995 174.9969 9 V 4.9634 8.1824 120.1089 61.0847 34.5810 174.6136 10 F 4.9574 9.6328 126.1564 55.7557 41.9781 174.1908 11 I 5.0904 8.5610 123.4832 59.4639 40.7007 174.5611 12 E 4.6688 9.2698 126.0414 54.5734 32.8377 173.7398 13 E 5.1950 8.9688 126.0923 54.9392 32.0019 175.2715 14 T 4.5484 8.8633 121.5903 62.2505 70.2690 175.1191 15 R 4.6889 8.7752 124.6601 56.2854 32.7830 176.2522 16 I 5.0001 7.6119 118.6478 59.3621 41.0033 174.1340 17 E 4.5310 9.1148 124.4140 55.9679 32.8023 174.6441 18 A 3.8122 9.7042 127.0355 53.3055 16.2908 177.3578 19 G 3.9304 8.4072 103.9161 47.1974 0.0000 173.8361 20 R 4.4936 8.1856 119.9205 53.5873 32.4041 174.2546 21 E 4.4792 8.8229 124.6929 56.8488 30.3006 176.7834 22 I 4.1547 9.0442 127.8856 60.3704 38.1879 175.4292 23 S 4.5971 8.4046 122.2558 55.5209 64.5960 172.0232 24 P 4.4869 0.0000 0.0000 61.6610 31.9719 174.3355 25 P 4.7715 0.0000 0.0000 62.7144 31.9721 176.0861 26 T 4.4562 8.3542 113.2451 61.2853 70.8549 173.8906 27 R 5.2208 8.8028 121.5435 54.5602 34.7444 174.3446 28 K 5.1282 9.0013 120.5463 54.6485 36.2935 175.1680 29 A 5.3830 9.1459 124.6868 50.2983 23.0797 175.3897 30 V 4.9484 9.0257 119.0012 60.0597 35.2360 173.8616 31 A 5.3110 9.1991 126.2852 50.1405 21.8004 175.2735 32 V 4.9682 9.3030 121.5752 60.9678 35.0434 174.1072 33 A 5.2141 8.9526 128.6763 50.1037 21.8649 175.4391 34 V 4.5478 8.7398 122.2953 61.2178 33.4319 174.7050 35 I 5.5801 8.5014 121.0392 57.6489 41.2627 174.3288 36 E 4.3489 8.6037 124.3797 56.2100 30.7004 175.5173 37 N 4.6399 9.2088 126.9529 52.0065 39.3320 174.0540 38 P 4.1826 0.0000 0.0000 64.8576 31.8683 176.9675 39 F 4.9382 7.9745 117.0780 56.9311 39.0899 175.1808 40 A 4.2944 7.6242 124.7266 53.5856 18.4069 178.8002 41 G 3.8863 8.9175 110.4916 45.6433 0.0000 173.5094 42 R 4.4528 7.5558 116.6214 54.2295 33.5446 175.0399 43 Y 4.6450 8.3164 117.9791 56.5523 38.3629 175.6520 44 V 4.4925 7.9737 116.9469 59.4728 35.3730 175.6682 45 E 4.2062 8.5722 120.7733 57.3466 30.8231 175.8107 46 D 4.5295 7.7495 118.3087 53.3510 40.9184 174.9847 47 L 4.7084 8.1960 126.0800 54.8680 42.1667 178.6555 48 T 3.8981 8.3543 118.4036 66.9749 68.7334 175.0846 49 E 4.1178 8.5077 121.2218 59.3152 29.9013 178.3035 50 L 4.0552 7.9834 118.3037 55.2122 41.1810 178.8390 *52 D 4.5703 8.2836 120.0576 54.8472 43.0189 178.3390 53 T 3.9798 8.0155 115.8262 66.5491 68.2629 176.9669 54 G 3.9194 8.6452 108.9411 47.0596 0.0000 175.4654 55 A 3.9962 7.9927 122.5735 55.2574 18.4640 179.5065 56 E 3.9384 7.8890 116.4598 59.3999 29.5032 179.6455 57 L 4.1008 8.2049 119.3414 57.6397 41.6158 179.6485 58 G 3.6233 8.3428 105.6594 47.7230 0.0000 175.5385 59 A 3.9692 7.7034 123.2767 54.7047 18.4483 179.4489 60 L 3.8600 7.9552 118.7502 58.5007 42.2462 179.2937 61 L 4.1771 8.6355 119.3693 57.5566 41.5786 179.6660 62 G 3.6566 8.4775 106.2714 47.7623 0.0000 175.4131 63 E 3.9959 8.2623 121.7199 59.0968 29.5829 179.0868 64 R 3.9255 8.0951 118.1846 59.2893 30.1752 178.7164 65 C 4.1248 8.2218 116.4854 63.1537 28.2198 176.7396 66 V 3.6867 7.6711 113.3100 64.4481 31.0505 178.6842 67 Q 4.0027 8.4086 117.8334 58.9487 28.3197 178.7644 68 A 4.0365 8.1531 121.0929 54.7565 18.5485 178.8496 69 L 4.3332 7.8762 114.5651 53.8856 42.5081 176.8013 70 G 3.9899 7.7769 107.0470 46.7606 0.0000 172.9866 71 I 4.6808 7.7065 112.6011 58.9296 41.1183 175.7315 72 R 4.3817 8.6276 118.9836 54.7394 30.2263 175.7361 73 P 4.4470 0.0000 0.0000 65.7306 31.5179 178.7609 74 E 4.1591 8.1061 116.1545 58.9143 29.5419 177.8455 75 Q 4.1044 7.9323 116.3498 57.1372 29.1057 176.3477 76 A 4.1030 7.5144 122.0548 52.1435 18.8565 176.9455 77 E 4.1504 8.6533 124.5766 58.2378 30.1582 176.7038 78 S 4.6966 7.3834 112.5345 56.9520 67.8398 172.8770 79 Y 5.0139 8.1421 118.2874 56.8769 42.7427 174.3075 80 G 4.7934 8.9838 106.1264 46.7821 0.0000 172.4685 81 K 5.2582 8.3512 118.2215 55.9282 36.3148 175.1144 82 S 5.1321 9.0266 116.2761 58.1374 68.3275 173.0222 83 A 4.4780 8.2857 120.7957 51.2266 22.2974 174.8531 *85 V 4.0565 8.3846 113.7811 62.8476 32.6975 177.0574 86 G 3.9005 8.9714 114.8820 45.1245 0.0000 174.3546 87 E 4.0874 8.8700 119.3721 59.2964 29.6593 178.2005 88 N 4.6263 8.3824 114.3793 53.3653 38.9905 175.2393 89 G 4.6036 7.7618 108.6224 44.1130 0.0000 172.8728 90 E 4.7328 7.9671 116.4961 53.4442 33.4832 176.6730 91 L 4.0040 8.4408 122.1534 58.4346 42.1015 179.2649 92 E 4.0770 8.1481 117.9924 59.4399 29.3555 178.8026 93 H 4.4014 8.1543 116.5101 58.6892 28.7439 177.6474 94 A 3.9921 8.0319 121.9688 55.0073 18.1262 179.0642 95 A 3.9388 7.7950 117.9734 55.4312 18.7245 179.4922 96 A 4.1049 8.1594 118.9063 55.4881 18.6292 179.7030 97 I 3.8758 7.9889 117.0722 63.7921 37.7906 177.0367 98 L 4.4867 7.5269 117.0673 55.0459 41.8852 177.7380 99 H 4.2213 7.8690 119.3830 57.7978 30.3650 173.7926 100 P 4.3459 0.0000 0.0000 62.2936 31.7567 176.1263 101 K 4.1086 8.2724 120.0718 56.2074 32.7940 177.0035 102 L 3.8595 8.6978 125.7289 58.3954 41.6660 178.4139 *116 L 4.1029 7.4624 115.4891 53.5836 42.2742 178.0935 117 V 3.9942 8.0943 119.9117 62.3050 32.2210 174.2273 118 P 4.4815 0.0000 0.0000 62.8802 32.4445 175.2962 119 S 5.8672 8.5957 114.9646 56.0612 66.6166 173.0135 120 S 4.9384 8.4911 114.3775 56.5716 66.6374 172.6247 121 K 5.0809 8.5894 119.5805 55.0057 34.9947 175.4402 122 K 4.1227 8.7080 124.9826 55.8180 37.2358 175.0620 *124 G 3.7900 8.5180 114.9789 46.5299 0.0000 170.4138 125 S 4.7411 7.9747 112.0049 55.3888 66.3518 171.1666 126 P 4.4360 0.0000 0.0000 64.4939 31.1417 177.2950 127 G 4.0091 8.7846 111.9061 45.2869 0.0000 173.8155 128 Q 4.1663 7.5096 118.6918 55.4756 29.3755 175.8638 129 V 4.0293 8.1928 121.8227 62.6964 32.5536 174.6787 130 L 4.6599 8.9753 130.2574 53.2755 44.4115 174.2971 131 D 4.8162 8.6901 126.3706 53.2696 42.3861 175.3946 132 V 4.3861 8.9923 127.6672 59.9502 32.8704 173.6245 133 P 4.9417 0.0000 0.0000 62.9130 32.9372 175.4884 134 L 4.9375 8.4598 120.5044 53.2273 44.5490 176.0580 135 G 4.0687 8.5057 112.2251 44.8565 0.0000 173.8656 136 H 4.4740 9.0257 121.3192 57.5032 29.3475 175.8026 *146 F 4.6584 7.6574 115.8810 57.0771 40.1412 174.3698 147 D 4.7190 8.5388 122.7101 54.8964 43.4041 174.2005 148 G 4.4197 7.9544 105.0379 46.0670 0.0000 172.6067 149 I 4.7694 8.1858 119.1962 59.1728 41.5265 173.7343 150 E 4.9078 8.7312 128.0405 55.5911 30.8705 175.9899 151 V 4.2201 8.5341 116.2853 59.6642 35.9839 174.7122 152 R 4.9411 8.1123 117.8775 55.2167 32.6781 174.0035 153 L 4.9831 8.3412 119.1643 52.7774 45.0964 177.4511 154 N 4.3496 9.3272 121.1901 55.3007 37.2021 175.3065 155 D 4.9318 8.0412 115.3819 52.3218 40.1160 175.0374 156 A 4.7641 7.8667 121.0454 50.4801 22.3575 174.3810 157 P 4.8952 0.0000 0.0000 61.9064 32.5834 176.7029 158 R 4.1523 9.2304 121.7612 55.4735 31.0497 177.3942 159 A 4.1125 8.6524 121.6311 55.1104 18.4931 178.6577 160 N 4.8161 8.0841 111.5011 52.7125 37.8562 173.7072 161 E 5.1241 8.1407 117.9452 55.5308 33.9426 174.3378 162 I 4.3520 8.1846 120.2962 60.0770 41.4287 174.5226 *164 V 4.2798 8.2839 120.9326 63.7113 33.0055 175.5077 165 A 5.2413 9.0789 128.1824 50.1589 22.7626 174.8796 166 V 4.8748 8.8491 120.2987 61.0133 34.8807 174.3181 167 A 5.3185 9.1875 128.7263 50.3271 22.6675 174.9460 168 V 4.9216 8.7517 118.8581 61.4933 35.6137 174.0572 169 T 5.0735 8.3863 115.9739 59.9204 72.3884 172.2534 170 D 4.7573 9.0776 122.2217 53.7582 44.7516 175.4869 171 S 4.4207 8.8563 118.9844 58.5100 62.9937 168.0845 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 K 8.17 4.20 0.00 1.70 1.81 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 4 I 7.34 4.26 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 1.29 1.08 0.96 0.00 0.00 5 R 9.68 4.17 0.00 1.80 1.94 0.00 3.22 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 6 K 7.86 4.79 0.00 1.70 1.62 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 7 I 8.40 5.11 1.87 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 1.29 0.61 0.98 0.00 0.00 8 A 9.29 4.69 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.18 4.96 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 0.93 0.00 0.00 0.94 0.00 0.00 10 F 9.63 4.96 0.00 2.89 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.56 5.09 1.90 0.00 0.00 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 1.27 0.64 0.96 0.00 0.00 12 E 9.27 4.67 0.00 2.02 1.76 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 2.20 2.28 0.00 13 E 8.97 5.20 0.00 1.87 1.84 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 2.22 2.31 0.00 14 T 8.86 4.55 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 1.24 0.00 0.00 15 R 8.78 4.69 0.00 1.75 1.94 0.00 3.07 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 16 I 7.61 5.00 1.87 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 0.60 0.91 0.00 0.00 17 E 9.11 4.53 0.00 1.95 1.72 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 2.20 2.25 0.00 18 A 9.70 3.81 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.41 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 0.00 0.00 0.00 20 R 8.19 4.49 0.00 1.84 1.74 0.00 3.10 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 21 E 8.82 4.48 0.00 1.89 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 2.31 2.35 0.00 22 I 9.04 4.15 2.03 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 1.20 1.45 0.98 0.00 0.00 23 S 8.40 4.60 0.00 3.81 3.70 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 24 P 0.00 4.49 0.00 2.21 2.03 0.00 3.83 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 1.98 1.98 0.00 25 P 0.00 4.77 0.00 1.96 2.13 0.00 3.72 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 26 T 8.35 4.46 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 1.23 0.00 0.00 27 R 8.80 5.22 0.00 1.74 1.80 0.00 3.06 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 28 K 9.00 5.13 0.00 1.67 1.63 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.35 7.81 29 A 9.15 5.38 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 9.03 4.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.89 0.00 0.00 31 A 9.20 5.31 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 32 V 9.30 4.97 2.29 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 1.07 0.00 0.00 1.01 0.00 0.00 33 A 8.95 5.21 1.20 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 0.00 0.00 0.00 34 V 8.74 4.55 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 1.09 0.00 0.00 0.96 0.00 0.00 35 I 8.50 5.58 1.83 0.00 0.00 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 1.16 1.26 0.89 0.00 0.00 36 E 8.60 4.35 0.00 1.97 1.84 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 2.22 2.27 0.00 37 N 9.21 4.64 0.00 2.75 2.79 0.00 0.00 6.68 7.43 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 38 P 0.00 4.18 0.00 1.63 1.93 0.00 3.43 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.49 0.00 39 F 7.97 4.94 0.00 2.86 2.79 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 40 A 7.62 4.29 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 41 G 8.92 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 0.00 0.00 0.00 42 R 7.56 4.45 0.00 2.01 1.79 0.00 3.38 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 43 Y 8.32 4.65 0.00 2.98 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 44 V 7.97 4.49 1.67 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 0.60 0.00 0.00 -0.02 0.00 0.00 45 E 8.57 4.21 0.00 1.89 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 2.19 2.18 0.00 46 D 7.75 4.53 0.00 2.59 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 47 L 8.20 4.71 0.00 1.78 1.77 1.01 0.56 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 48 T 8.35 3.90 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 49 E 8.51 4.12 0.00 2.10 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 2.28 2.31 0.00 50 L 7.98 4.06 0.00 2.06 1.71 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 *52 D 8.28 4.57 0.00 2.74 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 53 T 8.02 3.98 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 1.18 0.00 0.00 54 G 8.65 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 55 A 7.99 4.00 1.35 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 0.00 0.00 0.00 56 E 7.89 3.94 0.00 2.16 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 2.32 2.34 0.00 57 L 8.20 4.10 0.00 1.69 1.71 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.34 3.62 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 0.00 0.00 0.00 59 A 7.70 3.97 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 60 L 7.96 3.86 0.00 1.83 1.89 0.92 0.53 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 61 L 8.64 4.18 0.00 1.69 1.72 0.98 0.87 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 62 G 8.48 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 0.00 0.00 0.00 63 E 8.26 4.00 0.00 2.12 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 0.00 2.31 2.40 0.00 64 R 8.10 3.93 0.00 2.04 1.98 0.00 3.53 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.83 0.00 65 C 8.22 4.12 0.00 3.23 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 66 V 7.67 3.69 2.29 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 0.83 0.00 0.00 1.04 0.00 0.00 67 Q 8.41 4.00 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 68 A 8.15 4.04 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 69 L 7.88 4.33 0.00 1.67 1.72 0.91 0.85 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 70 G 7.78 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.71 4.68 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.79 0.97 0.00 0.00 72 R 8.63 4.38 0.00 1.78 1.84 0.00 3.28 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 73 P 0.00 4.45 0.00 2.21 2.20 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 74 E 8.11 4.16 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.90 0.00 75 Q 7.93 4.10 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 76 A 7.51 4.10 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 77 E 8.65 4.15 0.00 2.13 1.77 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 2.29 2.16 0.00 78 S 7.38 4.70 0.00 3.67 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 8.14 5.01 0.00 2.82 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 80 G 8.98 4.79 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 0.00 0.00 0.00 81 K 8.35 5.26 0.00 1.92 1.85 0.00 1.29 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.40 7.81 82 S 9.03 5.13 0.00 3.73 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 83 A 8.29 4.48 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 *85 V 8.38 4.06 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 1.06 0.00 0.00 86 G 8.97 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 0.00 0.00 0.00 87 E 8.87 4.09 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 88 N 8.38 4.63 0.00 2.91 2.80 0.00 0.00 6.74 6.92 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 89 G 7.76 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.97 4.73 0.00 1.60 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 0.00 2.15 2.18 0.00 91 L 8.44 4.00 0.00 1.75 1.67 0.93 0.92 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 92 E 8.15 4.08 0.00 2.09 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 0.00 2.41 2.47 0.00 93 H 8.15 4.40 0.00 3.36 3.42 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.03 3.99 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 95 A 7.80 3.94 1.35 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 0.00 0.00 0.00 96 A 8.16 4.10 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.99 3.88 2.06 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 1.53 1.51 0.96 0.00 0.00 98 L 7.53 4.49 0.00 1.83 1.69 0.99 1.10 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 99 H 7.87 4.22 0.00 3.30 3.49 0.00 5.96 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 0.00 100 P 0.00 4.35 0.00 2.21 2.06 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 101 K 8.27 4.11 0.00 1.72 1.72 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.39 7.81 102 L 8.70 3.86 0.00 1.47 1.64 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 *116 L 7.46 4.10 0.00 1.69 1.50 0.92 0.80 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 0.00 117 V 8.09 3.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.84 0.00 0.00 118 P 0.00 4.48 0.00 1.59 0.89 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.06 0.00 119 S 8.60 5.87 0.00 3.81 3.77 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 0.00 120 S 8.49 4.94 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 0.00 121 K 8.59 5.08 0.00 1.74 1.78 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.30 1.44 7.81 122 K 8.71 4.12 0.00 1.62 1.52 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.53 7.81 *124 G 8.52 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 0.00 0.00 0.00 125 S 7.97 4.74 0.00 3.95 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 0.00 126 P 0.00 4.44 0.00 2.07 1.96 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 127 G 8.78 4.01 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 0.00 0.00 0.00 128 Q 7.51 4.17 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 129 V 8.19 4.03 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 0.70 0.00 0.00 0.92 0.00 0.00 130 L 8.98 4.66 0.00 1.71 1.43 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.69 4.82 0.00 2.72 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 0.00 132 V 8.99 4.39 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 1.03 0.00 0.00 0.89 0.00 0.00 133 P 0.00 4.94 0.00 1.90 2.16 0.00 3.64 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 134 L 8.46 4.94 0.00 1.55 1.59 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.51 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 0.00 136 H 9.03 4.47 0.00 3.17 3.43 0.00 5.98 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *146 F 7.66 4.66 0.00 3.12 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 0.00 147 D 8.54 4.72 0.00 2.87 2.64 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 0.00 148 G 7.95 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 0.00 0.00 0.00 0.00 149 I 8.19 4.77 1.84 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 1.11 1.33 0.86 0.00 0.00 150 E 8.73 4.91 0.00 1.83 1.79 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 2.23 2.30 0.00 151 V 8.53 4.22 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 0.21 0.00 0.00 0.78 0.00 0.00 152 R 8.11 4.94 0.00 1.78 1.83 0.00 3.24 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 153 L 8.34 4.98 0.00 1.62 1.60 0.99 0.67 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 0.00 154 N 9.33 4.35 0.00 2.84 2.99 0.00 0.00 5.97 8.06 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 0.00 155 D 8.04 4.93 0.00 2.77 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 0.00 156 A 7.87 4.76 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.90 0.00 2.20 2.07 0.00 3.96 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 158 R 9.23 4.15 0.00 1.91 1.91 0.00 3.14 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 159 A 8.65 4.11 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 N 8.08 4.82 0.00 2.86 3.01 0.00 0.00 6.05 7.66 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 0.00 161 E 8.14 5.12 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 162 I 8.18 4.35 1.86 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 1.13 0.76 0.92 0.00 0.00 *164 V 8.28 4.28 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 1.03 0.00 0.00 0.93 0.00 0.00 165 A 9.08 5.24 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.85 4.87 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 1.08 0.00 0.00 0.94 0.00 0.00 167 A 9.19 5.32 1.20 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 0.00 0.00 0.00 168 V 8.75 4.92 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 0.97 0.00 0.00 1.06 0.00 0.00 169 T 8.39 5.07 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 1.16 0.00 0.00 170 D 9.08 4.76 0.00 2.68 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 0.00 171 S 8.86 4.42 0.00 3.96 4.06 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.