NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *10 C 4.5709 8.1876 117.6250 57.1808 29.6378 173.9560 11 P 4.3762 0.0000 0.0000 62.2833 32.5437 173.9031 12 L 5.0640 7.5090 122.8643 53.8247 45.4349 176.1793 13 M 4.9288 9.1955 125.3164 53.7991 36.3043 173.6038 14 V 4.8664 8.2722 124.1302 60.9226 34.7988 174.0406 15 K 5.0039 9.1894 128.6461 54.6054 35.7694 174.8454 16 V 4.8076 8.8327 126.3125 61.1813 34.7096 174.0378 17 L 5.0867 8.8618 127.1042 52.9219 45.6978 175.0054 18 D 5.1290 9.1390 121.9305 52.8414 42.0033 176.8270 19 A 4.2083 9.3402 129.3394 54.2950 18.5490 178.7511 20 V 3.8702 8.5637 114.6479 65.2920 31.9564 176.9304 21 R 4.3309 8.9430 116.3272 55.3329 30.9842 176.0492 22 G 3.9627 7.9578 106.0825 45.8564 0.0000 172.4379 23 S 4.7169 7.3219 111.3481 56.0611 67.2027 172.8636 24 P 4.5849 0.0000 0.0000 62.6483 31.7222 176.6676 25 A 4.2676 8.7989 125.3966 50.9905 19.2996 176.4669 26 I 4.1932 8.3298 122.0244 61.3630 39.0370 175.4019 27 N 4.1590 8.5905 121.9023 54.5905 38.0063 173.9272 28 V 4.0506 7.8985 116.7158 61.5000 33.1015 174.8218 29 A 4.5508 8.5709 129.9610 51.8286 19.9146 176.0539 30 V 4.7684 8.7050 122.1679 61.2726 34.9183 173.8769 31 H 4.9892 9.1012 124.6398 53.8854 31.7909 172.8538 32 V 4.8075 8.5482 123.4925 61.2513 33.9933 174.4656 33 F 5.6035 9.4380 124.8157 55.7664 43.4733 173.6698 34 R 4.8159 9.2460 121.5494 54.2018 33.0338 174.4723 35 K 3.8934 8.5518 127.9763 55.9412 32.6813 176.5904 36 A 4.4749 8.6598 130.6935 50.3412 20.5134 177.5446 37 A 3.9394 8.6401 122.5842 55.6859 18.1244 179.0321 38 D 4.3149 7.7747 111.6530 54.2308 39.5911 176.4166 39 D 4.2996 8.6565 121.7365 55.2711 40.5840 174.1503 40 T 4.3831 7.1397 111.2142 60.2229 70.9972 177.7566 41 W 4.9548 8.5995 124.2434 57.0368 30.2304 176.2984 42 E 4.9086 9.2733 123.6404 53.8817 31.8976 170.1590 43 P 4.4493 0.0000 0.0000 63.1013 31.3749 175.1012 44 F 4.8653 8.9066 125.8994 59.4100 41.5523 174.8032 45 A 4.4430 7.6142 117.1727 51.8935 22.2827 174.9801 46 S 4.6511 7.5499 112.4768 57.3148 65.6246 174.5269 47 G 3.8719 7.1190 106.7673 45.8515 0.0000 171.5183 48 K 5.1312 8.1467 117.4454 54.2677 35.9487 176.8770 49 T 4.1915 8.6024 114.3684 62.0678 70.1651 174.5839 50 S 4.8971 8.8816 119.2459 57.5078 65.1129 174.4764 51 E 3.9734 8.9180 118.5092 59.3358 29.1371 178.2086 52 S 4.3694 7.9083 111.1080 57.9134 63.5549 174.9651 53 G 3.8675 8.5867 110.1826 45.2542 0.0000 172.6476 54 E 5.0333 7.5478 118.4140 54.1028 33.1001 175.1340 55 L 4.8859 8.7850 124.7329 53.9354 44.2694 174.9548 56 H 4.8543 8.8941 123.0666 54.7181 31.5200 175.1780 57 G 3.8703 8.6792 107.3320 46.2248 0.0000 175.7582 58 L 3.8306 7.8061 121.5490 57.5910 41.7232 176.4900 59 T 4.4016 6.8484 107.9777 61.4739 70.5374 171.4263 60 T 4.7709 8.6217 113.9196 60.0703 71.8792 175.3325 61 E 4.1770 8.8383 117.2291 58.8708 30.0116 178.0250 62 E 4.2503 8.0518 116.6283 59.9736 29.5336 178.1469 63 E 4.4630 8.1605 115.4849 57.8951 30.4305 177.1658 64 F 4.9460 8.5357 124.8640 58.1039 37.4375 175.5061 65 V 4.1295 7.8986 120.8620 58.5045 33.2088 176.2357 66 E 4.6281 7.9828 119.0962 57.1386 29.8248 176.5239 67 G 3.7651 7.9893 111.8974 46.5920 0.0000 170.7877 68 I 4.8536 7.2270 120.0643 59.8147 39.1917 174.9229 69 Y 5.1381 8.7619 124.8252 55.8908 41.5615 174.5254 70 K 4.7843 9.2110 123.8403 54.5495 35.1203 174.7669 71 V 4.6988 9.1068 128.3113 61.3887 33.5032 173.7333 72 E 4.9317 9.2903 130.7660 54.6757 31.6662 174.3919 73 I 4.5580 8.8248 128.7469 59.6915 39.5110 175.7507 74 D 5.1965 9.0845 129.2764 53.5275 37.7750 176.5128 75 T 3.9796 7.7647 114.7791 64.1173 69.3428 176.5060 76 K 4.1013 8.1070 122.0206 59.6477 32.4675 178.8655 77 S 4.1695 8.4825 115.4181 61.4364 62.0103 175.9798 78 Y 3.9053 7.5745 121.2296 60.6140 38.5393 178.3826 79 W 4.4564 7.9879 119.5823 59.7514 29.1179 178.8135 80 K 4.5918 8.7238 119.6669 58.9098 31.2418 179.2335 81 A 3.9888 7.7382 119.7669 54.3573 18.3221 178.6075 82 L 4.3222 7.0300 115.9619 54.6754 42.0497 177.6754 83 G 3.9643 8.2248 107.8879 45.2878 0.0000 173.3956 84 I 4.2676 7.7765 120.8652 59.6228 38.5985 175.0290 85 S 4.6086 8.5144 119.5996 56.1983 61.9813 171.8867 86 P 4.2697 0.0000 0.0000 61.2833 32.9836 176.1552 87 F 3.9764 8.2523 120.6775 61.0757 39.3277 175.6007 88 H 4.4613 7.8803 116.0220 54.9696 29.4347 175.5829 89 E 4.0118 8.6734 122.7972 59.3883 29.5570 176.0109 90 H 4.6347 7.2744 111.1874 55.6344 31.0987 173.1703 91 A 4.5225 8.2912 119.4636 50.0231 21.5037 175.2193 92 E 5.2006 8.8590 120.2216 54.4909 33.6794 175.6673 93 V 4.4927 8.7823 121.6536 61.2791 34.7641 174.2078 94 V 5.1742 8.6209 127.7589 61.1283 33.8078 174.3936 95 F 5.0981 8.7233 121.1781 56.0377 41.5572 173.2889 96 T 4.7103 8.7387 117.5673 63.2878 69.3605 173.8785 97 A 4.6289 9.3985 128.4454 50.4507 22.2096 175.9057 98 N 4.7661 9.3997 116.2761 53.4981 36.9588 176.3134 99 D 4.3755 8.6734 119.8521 58.0443 41.9288 178.6095 *100 S 4.6229 7.9607 114.0364 57.4770 62.7543 176.8222 101 G 4.1649 8.0137 106.9725 44.8541 0.0000 171.3345 102 P 4.8413 0.0000 0.0000 63.0110 31.7606 175.6916 103 R 4.7384 8.7735 118.7811 54.6778 34.8462 174.1063 104 R 4.6804 9.0309 121.3298 55.2610 31.9624 174.3700 105 Y 5.0198 9.3915 124.4203 56.5003 40.8850 174.6578 106 T 4.9322 8.9745 121.1119 61.8838 71.5274 173.2084 107 I 4.6138 8.9516 128.4348 59.8520 38.8578 174.5093 108 A 5.2795 8.8571 129.5610 50.0290 21.7842 175.1019 109 A 5.0623 8.9193 122.8467 50.0977 22.8306 174.5320 110 L 4.9999 9.2542 125.2894 53.3605 44.3554 174.9827 111 L 5.5760 9.0368 126.3949 53.3403 44.6921 175.7641 112 S 5.0571 9.3607 118.3179 55.9866 67.2192 173.2663 113 P 2.9804 0.0000 0.0000 65.1803 31.0456 177.7783 114 Y 4.6118 7.6662 112.1183 57.1141 38.6841 174.9747 115 S 4.7443 8.0150 113.5613 57.4263 65.7383 172.6851 116 Y 5.5091 7.8558 123.1686 55.7070 41.3273 173.9854 117 S 4.6926 9.2481 115.1477 56.9369 65.6848 172.5281 118 T 5.2304 8.7548 120.8199 60.6750 70.3248 172.4404 119 T 4.8399 8.9937 120.6272 60.3360 71.6573 171.8956 120 A 5.0990 8.5551 126.5914 50.0792 21.5716 175.8743 121 V 4.1818 8.6639 122.8034 61.2013 33.4878 174.5761 122 V 4.7230 8.3853 128.2865 61.2855 33.4575 174.4045 123 T 4.7056 8.4743 117.0694 59.4217 73.0277 174.0458 124 N 4.4642 8.5347 117.6494 53.6421 38.6640 175.4205 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 *10 C 8.19 4.57 0.00 2.77 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 11 P 0.00 4.38 0.00 2.56 2.53 0.00 3.55 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 1.84 2.17 0.00 12 L 7.51 5.06 0.00 0.75 1.12 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.20 4.93 0.00 1.97 1.75 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 14 V 8.27 4.87 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 0.92 0.00 0.00 0.89 0.00 0.00 15 K 9.19 5.00 0.00 1.74 1.53 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.30 7.81 16 V 8.83 4.81 1.89 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 0.68 0.00 0.00 0.81 0.00 0.00 17 L 8.86 5.09 0.00 1.60 1.51 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.14 5.13 0.00 2.64 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 19 A 9.34 4.21 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 20 V 8.56 3.87 2.62 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 0.97 0.00 0.00 1.00 0.00 0.00 21 R 8.94 4.33 0.00 1.92 2.03 0.00 3.42 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 22 G 7.96 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 0.00 0.00 0.00 23 S 7.32 4.72 0.00 3.88 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.58 0.00 1.94 2.17 0.00 3.67 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 2.14 2.09 0.00 25 A 8.80 4.27 0.57 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 26 I 8.33 4.19 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 1.41 0.62 0.91 0.00 0.00 27 N 8.59 4.16 0.00 2.82 2.88 0.00 0.00 7.09 7.22 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 28 V 7.90 4.05 1.92 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 0.79 0.00 0.00 0.59 0.00 0.00 29 A 8.57 4.55 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 30 V 8.71 4.77 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 0.91 0.00 0.00 0.89 0.00 0.00 31 H 9.10 4.99 0.00 3.08 2.70 0.00 5.83 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.55 4.81 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 1.22 0.00 0.00 0.94 0.00 0.00 33 F 9.44 5.60 0.00 2.74 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 34 R 9.25 4.82 0.00 1.25 1.66 0.00 3.09 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 35 K 8.55 3.89 0.00 0.79 1.19 0.00 1.41 0.00 0.00 1.35 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.98 0.49 7.81 36 A 8.66 4.47 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 37 A 8.64 3.94 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 38 D 7.77 4.31 0.00 2.73 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 39 D 8.66 4.30 0.00 2.95 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 40 T 7.14 4.38 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 41 W 8.60 4.95 0.00 2.96 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 42 E 9.27 4.91 0.00 1.63 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 0.00 2.15 2.13 0.00 43 P 0.00 4.45 0.00 2.02 2.14 0.00 3.76 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.44 0.00 44 F 8.91 4.87 0.00 3.06 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 45 A 7.61 4.44 1.04 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 46 S 7.55 4.65 0.00 3.83 3.68 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 47 G 7.12 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 48 K 8.15 5.13 0.00 1.81 1.63 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 0.97 7.81 49 T 8.60 4.19 4.16 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 1.16 0.00 0.00 50 S 8.88 4.90 0.00 3.86 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 51 E 8.92 3.97 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 52 S 7.91 4.37 0.00 4.01 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 53 G 8.59 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 54 E 7.55 5.03 0.00 1.94 1.71 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 2.17 2.36 0.00 55 L 8.78 4.89 0.00 1.63 1.42 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.89 4.85 0.00 2.99 3.17 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.68 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 58 L 7.81 3.83 0.00 1.56 1.69 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 59 T 6.85 4.40 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 0.87 0.00 0.00 60 T 8.62 4.77 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 1.21 0.00 0.00 61 E 8.84 4.18 0.00 2.01 1.92 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 2.23 1.91 0.00 62 E 8.05 4.25 0.00 1.97 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 2.39 2.46 0.00 63 E 8.16 4.46 0.00 2.13 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 0.00 2.25 2.40 0.00 64 F 8.54 4.95 0.00 3.12 3.09 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 65 V 7.90 4.13 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 0.74 0.00 0.00 0.93 0.00 0.00 66 E 7.98 4.63 0.00 2.32 1.89 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 2.30 1.76 0.00 67 G 7.99 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 0.00 0.00 0.00 68 I 7.23 4.85 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.65 1.11 0.00 0.00 69 Y 8.76 5.14 0.00 1.99 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 70 K 9.21 4.78 0.00 0.79 0.80 0.00 1.12 0.00 0.00 1.17 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.11 0.95 7.81 71 V 9.11 4.70 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 0.89 0.00 0.00 1.14 0.00 0.00 72 E 9.29 4.93 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 73 I 8.82 4.56 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.75 0.78 0.00 0.00 74 D 9.08 5.20 0.00 2.69 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 75 T 7.76 3.98 4.47 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 0.00 0.00 0.00 1.10 0.00 0.00 76 K 8.11 4.10 0.00 2.15 1.90 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.58 7.81 77 S 8.48 4.17 0.00 4.01 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 78 Y 7.57 3.91 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 79 W 7.99 4.46 0.00 3.54 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 80 K 8.72 4.59 0.00 1.89 1.89 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 81 A 7.74 3.99 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 82 L 7.03 4.32 0.00 1.99 1.72 0.59 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.22 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 0.00 0.00 0.00 84 I 7.78 4.27 2.25 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 1.24 1.06 0.87 0.00 0.00 85 S 8.51 4.61 0.00 3.85 3.84 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 86 P 0.00 4.27 0.00 2.21 1.99 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 87 F 8.25 3.98 0.00 2.20 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 88 H 7.88 4.46 0.00 3.30 3.50 0.00 5.95 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.67 4.01 0.00 1.79 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 90 H 7.27 4.63 0.00 3.21 3.26 0.00 5.08 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.29 4.52 0.05 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 92 E 8.86 5.20 0.00 2.10 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 2.19 1.83 0.00 93 V 8.78 4.49 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 0.96 0.00 0.00 0.98 0.00 0.00 94 V 8.62 5.17 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 1.11 0.00 0.00 0.88 0.00 0.00 95 F 8.72 5.10 0.00 3.13 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 96 T 8.74 4.71 4.32 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 1.28 0.00 0.00 97 A 9.40 4.63 0.58 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 98 N 9.40 4.77 0.00 2.73 2.90 0.00 0.00 6.91 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.67 4.38 0.00 2.96 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 *100 S 7.96 4.62 0.00 3.66 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 0.00 101 G 8.01 4.16 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 0.00 102 P 0.00 4.84 0.00 2.24 2.12 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 103 R 8.77 4.74 0.00 1.06 1.40 0.00 3.28 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 104 R 9.03 4.68 0.00 1.91 1.70 0.00 3.16 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 105 Y 9.39 5.02 0.00 3.02 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 0.00 106 T 8.97 4.93 4.22 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 1.18 0.00 0.00 107 I 8.95 4.61 1.84 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.99 0.88 0.00 0.00 108 A 8.86 5.28 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 0.00 109 A 8.92 5.06 1.17 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 0.00 0.00 110 L 9.25 5.00 0.00 1.76 1.59 1.00 0.52 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 0.00 111 L 9.04 5.58 0.00 1.86 2.06 0.62 0.92 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 0.00 112 S 9.36 5.06 0.00 3.75 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 0.00 113 P 0.00 2.98 0.00 2.08 1.67 0.00 3.18 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.59 0.00 114 Y 7.67 4.61 0.00 2.82 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 0.00 115 S 8.02 4.74 0.00 3.88 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 0.00 116 Y 7.86 5.51 0.00 3.04 2.91 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 0.00 117 S 9.25 4.69 0.00 3.91 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 0.00 118 T 8.75 5.23 4.39 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 1.34 0.00 0.00 119 T 8.99 4.84 4.25 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 1.21 0.00 0.00 120 A 8.56 5.10 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 0.00 0.00 0.00 0.00 0.00 121 V 8.66 4.18 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 0.97 0.00 0.00 0.91 0.00 0.00 122 V 8.39 4.72 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 0.51 0.00 0.00 0.97 0.00 0.00 123 T 8.47 4.71 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 0.00 124 N 8.53 4.46 0.00 2.97 2.75 0.00 0.00 6.74 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.