NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.4724 8.2549 119.6571 55.8602 31.9915 174.5729 4 E 4.0690 8.9185 121.5629 55.8347 30.5527 174.4364 5 L 4.9550 8.2189 124.4878 53.4691 43.4379 175.6859 6 S 4.3252 8.2852 116.1613 56.4873 67.3443 172.6944 7 F 5.2027 8.0354 118.3092 55.7824 42.6362 173.7301 8 F 5.0956 9.6958 122.9984 55.7684 41.3591 174.8405 9 L 5.1026 8.6517 124.5817 52.7945 43.2213 176.6787 10 Q 4.1641 8.9712 122.7185 58.8459 29.0123 176.4545 *16 F 4.6622 7.5496 112.3581 55.7193 39.1360 173.5563 17 F 4.9704 9.4049 119.5384 55.6110 42.2000 174.1494 18 L 5.0120 8.9118 124.1067 53.3228 44.0817 175.4610 19 G 4.3871 9.0305 113.6031 44.0505 0.0000 172.2422 20 M 5.0237 8.3271 122.5089 53.2934 34.5613 175.3989 21 D 4.2966 8.9270 126.1602 55.0007 39.2718 174.4453 22 A 4.1968 7.9028 120.4782 51.0761 19.5667 176.6204 23 P 4.3166 0.0000 0.0000 62.0529 32.1289 175.9719 24 A 4.1304 8.4216 124.4992 54.1115 18.6054 178.2272 25 G 3.9814 8.8986 108.8482 45.4387 0.0000 174.1829 26 S 4.3060 7.8051 115.8835 58.7096 63.3893 173.7145 27 S 4.9719 8.1421 116.5731 56.6589 66.5131 173.1112 28 V 3.9641 8.5301 121.2637 60.8835 33.6401 174.4989 29 A 4.6144 8.5076 130.4882 51.6791 18.7824 176.4417 30 C 4.5009 9.1945 124.2783 59.0964 31.9258 175.6666 31 G 3.8393 7.9732 119.1397 46.6894 0.0000 172.5995 32 S 4.5820 8.9212 118.7756 57.8255 63.4575 173.4187 33 E 4.5307 8.1378 121.6371 55.8174 31.1974 175.2113 34 V 4.8765 8.2906 121.7379 61.1495 34.0189 174.6196 35 L 4.9542 9.0301 127.3265 53.0953 44.7210 175.9246 36 R 5.2886 8.6084 120.9817 53.7582 33.6746 175.3654 37 A 3.3546 8.3421 122.2291 52.0871 18.8289 177.7887 38 V 4.0365 8.1097 116.3914 59.8283 32.5528 174.7573 39 P 4.2980 0.0000 0.0000 63.1613 31.9035 175.6518 40 V 4.1238 8.3126 121.9591 62.4132 32.5507 175.5415 41 G 2.9263 8.4712 116.2222 46.1817 0.0000 173.7701 42 T 4.4814 7.0500 105.1058 60.4150 68.6191 173.7999 43 V 4.3457 6.6994 119.1234 61.5676 34.8299 175.1450 44 D 4.6125 8.6009 125.8081 53.8230 39.3052 174.6681 45 A 4.4448 7.9250 125.6887 49.7680 22.4164 175.8269 46 A 4.0084 8.1415 122.6581 51.9060 18.7587 179.1929 47 K 3.5009 8.5478 123.3393 59.4226 32.6677 179.4174 48 E 3.8760 8.0475 117.8716 58.4036 29.5520 178.1875 49 K 4.5119 7.3888 115.9506 56.6825 33.0530 176.4729 50 H 4.3258 7.3572 114.1624 56.1835 31.3256 174.7977 51 I 4.1185 7.5877 120.1547 60.2222 37.3307 174.7546 52 P 4.5833 0.0000 0.0000 62.7836 32.3556 175.6353 53 V 4.3672 8.8060 122.9852 61.1922 33.7755 174.2829 54 V 4.8507 8.4152 127.1870 61.1713 33.7386 174.3066 55 E 4.7649 9.3198 126.9111 54.5028 33.3040 174.6880 56 V 4.7322 8.4191 123.5673 61.4866 33.8527 174.7338 57 H 4.6690 9.3379 124.9982 54.3555 31.7607 175.7628 58 G 3.8676 8.5667 117.3550 47.0731 0.0000 172.8122 59 H 4.7423 9.0057 121.5321 55.2619 29.5117 173.8153 60 E 5.2069 8.0897 120.9588 54.9828 32.1558 175.0743 61 V 4.8429 9.0555 123.5479 61.1425 34.3657 173.9164 62 K 4.9617 9.2493 130.5758 55.0191 34.1690 174.9684 63 V 4.8760 9.0636 127.8707 61.1756 33.9427 174.1658 64 K 5.0266 9.0037 127.4809 54.6465 34.9739 175.5275 65 V 4.4138 8.8995 124.5456 60.4784 33.4440 174.1208 66 G 4.2517 8.6257 120.1187 45.1301 0.0000 173.6547 67 S 4.2403 8.9780 117.2154 60.7285 62.7186 174.3400 68 V 4.5343 7.8341 111.9716 58.8791 34.4030 175.4801 69 A 4.3810 8.4800 126.3749 52.3741 18.6385 176.9542 70 H 4.3605 8.9073 123.6613 54.9415 30.4822 173.5226 71 P 4.2707 0.0000 0.0000 63.5623 31.6890 175.5414 72 M 4.8674 8.2543 120.5183 53.2825 32.9658 174.5462 73 T 4.7990 8.6642 112.5034 58.5007 72.4062 174.2044 74 P 4.2950 0.0000 0.0000 65.3084 31.4235 177.6850 75 E 4.2656 7.6691 114.7122 58.0402 30.4109 175.9834 76 H 4.8335 8.3934 120.1824 55.7083 32.6569 171.7191 77 Y 5.3358 8.5461 123.6564 55.9473 41.8474 174.0797 78 I 4.2300 8.3613 121.9017 60.8006 37.3782 175.9337 79 A 4.4799 8.9718 132.0246 54.7698 19.0897 176.7448 80 W 5.5154 7.2130 109.8939 55.8225 31.4730 173.7212 81 V 5.2299 9.1180 120.8178 61.4715 34.2650 173.6028 82 C 5.3077 9.7449 127.9943 57.5610 34.2683 171.8946 83 L 5.0096 8.6726 127.9259 53.0664 44.4530 174.5800 84 K 4.9085 9.1505 128.2522 55.2162 34.0198 175.1918 85 T 5.1911 8.6025 116.9171 59.5585 71.6897 174.1845 86 R 4.0414 8.9699 120.9395 58.9690 30.0157 178.3974 87 K 4.3473 8.0637 114.6646 56.2329 33.2979 176.5178 88 G 4.0146 6.8977 105.6753 45.5073 0.0000 171.7669 89 I 5.1589 8.2846 111.8135 59.3718 40.8856 174.8737 90 Q 4.7533 9.0624 121.5983 54.4299 33.5092 173.8959 91 L 5.2879 8.5100 122.6682 53.6904 45.4428 175.2436 92 K 4.7858 9.4140 125.1219 54.5328 35.5890 175.7585 93 E 4.8963 9.1103 124.2121 56.4785 30.5530 175.9581 94 L 4.7345 8.4417 122.8094 52.3127 43.6306 175.1186 95 P 4.3421 0.0000 0.0000 62.3978 31.8917 178.0096 96 V 3.6044 8.3615 122.5993 64.1978 31.4976 176.4487 97 D 4.7217 8.0805 118.2094 52.9361 39.7191 176.4082 98 G 4.1456 7.6020 110.1361 44.5053 0.0000 173.5730 99 A 4.3485 8.2470 122.1838 51.0190 20.2879 176.3601 100 P 4.8429 0.0000 0.0000 61.0632 29.5095 174.9055 101 E 5.3484 7.6381 116.5494 56.3151 32.9464 176.4550 102 V 4.4958 8.6317 119.4812 61.0046 35.1946 172.8871 103 T 5.1387 8.2067 118.1005 61.9413 71.1038 173.5719 104 F 5.0696 9.4988 123.2972 55.6413 42.8224 173.9789 105 A 5.3855 8.7737 122.1724 50.3243 21.1602 175.7690 106 L 4.9609 8.9712 121.8630 52.7908 44.7341 176.9901 107 T 4.1097 8.3833 111.3726 61.1428 69.6287 175.4692 108 A 4.1026 8.4307 125.2085 54.7652 18.5088 178.3410 109 D 4.5287 8.0334 113.3169 54.2236 40.1069 175.5101 110 D 4.9417 7.7066 119.9185 53.3549 43.5518 174.9942 111 Q 4.7592 8.1383 121.1602 54.3050 32.5428 173.9159 112 V 3.9653 8.5348 125.6058 62.4710 31.8305 174.6165 113 L 4.6322 8.6374 121.5292 55.8358 43.5356 176.2670 114 E 4.6970 7.8086 116.9628 55.0397 33.0590 173.0908 115 A 5.2967 8.8228 126.5680 50.3860 22.6844 174.8344 116 Y 5.3658 9.2163 116.7853 56.2643 42.4967 174.5670 117 E 5.0648 9.3892 119.5977 54.6081 33.9640 173.7960 118 F 4.8744 7.5285 123.3953 56.4552 41.8778 173.4909 119 C 4.5334 8.2699 127.4210 57.6023 32.2812 174.2272 120 N 3.6965 7.6815 124.0223 54.9405 36.8616 175.7451 121 L 4.2841 7.3540 116.8466 55.4592 43.0252 176.7151 122 H 4.8828 7.8810 112.4007 55.0390 29.8100 175.7468 123 G 3.8816 7.7402 109.5327 44.8293 0.0000 172.2699 124 V 4.7751 8.0168 118.0431 61.5442 33.5468 176.2888 125 W 5.3270 9.2548 126.4329 54.9074 33.2791 174.4012 126 S 5.1600 8.5334 117.1258 56.9850 65.6442 172.8649 127 G 4.0630 8.2654 105.9893 45.9036 0.0000 174.0868 128 K 4.2550 8.5188 118.7458 56.3444 32.7093 176.4905 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 8.25 4.47 0.00 1.68 2.03 0.00 3.52 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 4 E 8.92 4.07 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 2.32 2.50 0.00 5 L 8.22 4.95 0.00 1.02 0.89 0.78 0.69 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 6 S 8.29 4.33 0.00 3.35 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 7 F 8.04 5.20 0.00 3.04 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 8 F 9.70 5.10 0.00 3.13 2.99 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 9 L 8.65 5.10 0.00 1.56 1.50 0.24 1.28 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 10 Q 8.97 4.16 0.00 2.44 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.62 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 *16 F 7.55 4.66 0.00 3.12 3.16 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 17 F 9.40 4.97 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.91 5.01 0.00 1.73 1.55 0.79 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.03 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 0.00 0.00 0.00 0.00 20 M 8.33 5.02 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 21 D 8.93 4.30 0.00 2.73 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 22 A 7.90 4.20 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 23 P 0.00 4.32 0.00 2.19 1.98 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 24 A 8.42 4.13 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 25 G 8.90 3.98 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 0.00 0.00 0.00 26 S 7.81 4.31 0.00 4.07 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 27 S 8.14 4.97 0.00 3.79 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 3.96 1.54 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 -0.21 0.00 0.00 -0.05 0.00 0.00 29 A 8.51 4.61 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 30 C 9.19 4.50 0.00 2.95 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.97 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 0.00 0.00 0.00 32 S 8.92 4.58 0.00 3.99 3.98 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 33 E 8.14 4.53 0.00 2.21 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 2.34 2.29 0.00 34 V 8.29 4.88 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 0.80 0.00 0.00 0.92 0.00 0.00 35 L 9.03 4.95 0.00 1.63 1.71 1.14 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.61 5.29 0.00 1.71 1.87 0.00 3.24 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 37 A 8.34 3.35 0.79 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 38 V 8.11 4.04 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 0.78 0.00 0.00 1.04 0.00 0.00 39 P 0.00 4.30 0.00 1.97 2.00 0.00 3.72 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 1.94 1.94 0.00 40 V 8.31 4.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.09 0.00 0.00 41 G 8.47 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 0.00 0.00 0.00 42 T 7.05 4.48 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 1.15 0.00 0.00 43 V 6.70 4.35 2.34 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 0.97 0.00 0.00 0.90 0.00 0.00 44 D 8.60 4.61 0.00 2.68 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 0.00 0.00 0.00 0.00 45 A 7.93 4.44 0.95 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 0.00 0.00 0.00 0.00 0.00 46 A 8.14 4.01 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 47 K 8.55 3.50 0.00 1.77 1.81 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.66 1.51 7.81 48 E 8.05 3.88 0.00 2.00 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 2.35 2.34 0.00 49 K 7.39 4.51 0.00 1.63 1.75 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.32 7.81 50 H 7.36 4.33 0.00 1.50 1.32 0.00 5.89 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.59 4.12 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.43 1.00 0.00 0.00 52 P 0.00 4.58 0.00 2.08 2.06 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 53 V 8.81 4.37 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 0.92 0.00 0.00 54 V 8.42 4.85 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 0.89 0.00 0.00 0.92 0.00 0.00 55 E 9.32 4.76 0.00 1.95 1.82 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 2.23 2.24 0.00 56 V 8.42 4.73 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 0.81 0.00 0.00 0.94 0.00 0.00 57 H 9.34 4.67 0.00 3.19 3.19 0.00 6.02 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 58 G 8.57 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 59 H 9.01 4.74 0.00 3.56 3.57 0.00 5.45 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.09 5.21 0.00 2.07 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 2.35 2.09 0.00 61 V 9.06 4.84 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 1.02 0.00 0.00 0.99 0.00 0.00 62 K 9.25 4.96 0.00 1.89 1.71 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.39 7.81 63 V 9.06 4.88 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 1.00 0.00 0.00 1.14 0.00 0.00 64 K 9.00 5.03 0.00 1.72 1.66 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.37 7.81 65 V 8.90 4.41 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 0.94 0.00 0.00 0.90 0.00 0.00 66 G 8.63 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 0.00 0.00 0.00 0.00 67 S 8.98 4.24 0.00 3.85 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 68 V 7.83 4.53 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 0.62 0.00 0.00 0.92 0.00 0.00 69 A 8.48 4.38 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 70 H 8.91 4.36 0.00 3.22 3.12 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.27 0.00 2.11 1.92 0.00 2.99 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 72 M 8.25 4.87 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 73 T 8.66 4.80 4.38 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 1.22 0.00 0.00 74 P 0.00 4.30 0.00 2.09 2.17 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 75 E 7.67 4.27 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 76 H 8.39 4.83 0.00 3.17 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 8.55 5.34 0.00 3.05 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 78 I 8.36 4.23 1.87 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.70 0.89 0.00 0.00 79 A 8.97 4.48 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 80 W 7.21 5.52 0.00 3.46 3.19 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 81 V 9.12 5.23 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 1.39 0.00 0.00 1.07 0.00 0.00 82 C 9.74 5.31 0.00 2.99 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 83 L 8.67 5.01 0.00 0.52 0.82 0.73 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.15 4.91 0.00 2.11 1.90 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.42 7.81 85 T 8.60 5.19 4.54 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 1.17 0.00 0.00 86 R 8.97 4.04 0.00 1.96 2.05 0.00 3.15 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 87 K 8.06 4.35 0.00 2.01 1.85 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.67 7.81 88 G 6.90 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 89 I 8.28 5.16 1.84 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 1.33 0.76 0.90 0.00 0.00 90 Q 9.06 4.75 0.00 1.70 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 91 L 8.51 5.29 0.00 1.39 1.32 -0.59 -0.04 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 92 K 9.41 4.79 0.00 1.61 1.60 0.00 0.90 0.00 0.00 1.40 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.46 7.81 93 E 9.11 4.90 0.00 1.97 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 2.61 2.56 0.00 94 L 8.44 4.73 0.00 1.76 1.63 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.34 0.00 2.16 1.96 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 96 V 8.36 3.60 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.70 0.00 0.00 97 D 8.08 4.72 0.00 2.78 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 98 G 7.60 4.15 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 0.00 99 A 8.25 4.35 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 0.00 100 P 0.00 4.84 0.00 2.32 2.22 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 101 E 7.64 5.35 0.00 2.04 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 2.18 2.29 0.00 102 V 8.63 4.50 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 0.69 0.00 0.00 0.69 0.00 0.00 103 T 8.21 5.14 4.18 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 0.00 0.00 0.00 1.30 0.00 0.00 104 F 9.50 5.07 0.00 3.00 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 0.00 105 A 8.77 5.39 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.97 4.96 0.00 1.61 1.60 0.98 0.92 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 0.00 107 T 8.38 4.11 4.31 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 1.21 0.00 0.00 108 A 8.43 4.10 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 0.00 109 D 8.03 4.53 0.00 2.80 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 0.00 110 D 7.71 4.94 0.00 2.73 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 0.00 111 Q 8.14 4.76 0.00 2.13 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 112 V 8.53 3.97 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 0.76 0.00 0.00 0.90 0.00 0.00 113 L 8.64 4.63 0.00 1.68 1.72 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.81 4.70 0.00 1.96 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.19 0.00 115 A 8.82 5.30 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 9.22 5.37 0.00 3.03 2.81 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 0.00 117 E 9.39 5.06 0.00 1.92 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 2.13 2.32 0.00 118 F 7.53 4.87 0.00 1.51 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 0.00 119 C 8.27 4.53 0.00 2.71 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 0.00 120 N 7.68 3.70 0.00 2.54 1.83 0.00 0.00 6.93 7.88 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 0.00 121 L 7.35 4.28 0.00 1.25 1.42 0.77 0.91 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 0.00 122 H 7.88 4.88 0.00 3.19 3.34 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 7.74 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.02 4.78 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 0.82 0.00 0.00 0.94 0.00 0.00 125 W 9.25 5.33 0.00 3.45 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 0.00 126 S 8.53 5.16 0.00 3.50 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 0.00 127 G 8.27 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 0.00 0.00 0.00 128 K 8.52 4.25 0.00 1.69 1.65 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.