NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.5630 8.1693 120.6410 54.4647 43.1775 177.1167 8 S 4.2317 8.6621 119.3028 57.1928 65.1159 173.8158 9 A 3.9039 9.2837 125.1855 55.5484 18.5527 180.8776 10 Q 3.9325 8.1462 115.9014 59.5524 28.7978 179.4085 11 E 4.0022 8.1623 118.7736 59.2135 29.4323 179.3108 12 A 4.2519 8.1528 120.9580 55.2581 18.4224 179.8818 13 V 3.6011 7.7451 116.5901 66.1619 31.5355 178.2531 14 I 3.6915 7.8288 119.6027 64.3615 36.9337 178.0502 15 E 3.8282 8.4350 119.9095 59.0391 29.5495 178.3904 16 A 3.8837 8.4241 121.3086 55.5286 18.3916 179.9216 17 K 4.0193 8.2992 116.5770 59.2299 31.9815 179.6130 18 R 3.8524 8.1817 119.5485 59.4640 29.9070 178.2281 19 Y 3.8626 8.1042 116.5584 60.9379 38.0303 178.0643 20 L 3.7368 7.8132 120.9806 58.3864 42.1195 178.8703 21 N 4.3936 8.3943 116.4251 56.1655 38.3855 177.1656 22 N 4.2737 8.4224 118.0363 56.2169 38.6253 177.1912 23 A 4.0275 8.1015 122.0907 55.1630 18.4672 179.8502 24 K 4.1832 7.9861 116.5967 59.8236 32.0639 179.2990 25 D 4.3916 8.3274 119.2009 57.4565 40.7132 178.9113 26 I 3.6627 7.9303 120.3855 64.3586 37.1131 178.5507 27 L 3.7865 7.8781 119.7922 57.5791 41.1696 179.5291 28 R 3.9617 7.7868 117.6047 59.6076 30.1642 177.8848 29 D 4.5672 8.1862 117.3895 55.9002 39.8420 177.2929 30 K 4.3408 8.4756 115.7945 55.3212 34.3247 178.3024 31 G 3.7137 8.2353 108.8236 46.4701 0.0000 173.6450 32 G 3.8928 7.7453 107.5415 46.1979 0.0000 173.8929 33 K 4.1187 7.9502 118.5877 56.3639 33.4117 175.7829 34 E 4.3281 9.0555 125.2104 56.5049 31.8141 174.7109 35 D 4.6775 9.5748 128.1921 55.6612 38.2357 175.1873 36 G 3.5699 8.2985 105.5675 45.2429 0.0000 173.4128 37 F 4.9831 7.6303 118.0603 55.2203 42.0199 174.0290 38 Y 4.4824 8.5387 124.3345 58.3463 37.9668 176.2578 39 Q 4.1726 8.6394 124.1184 57.0559 29.6209 175.4329 40 D 4.7819 8.1062 118.1847 52.4807 40.7783 176.5128 41 S 4.3031 8.6426 124.0538 61.3945 62.6116 176.2338 42 K 3.6858 7.5134 120.1298 59.9364 31.9403 178.0979 43 Y 4.2119 7.6683 114.6819 60.3791 38.1667 177.6661 44 V 3.7620 7.7660 119.6679 65.7294 31.5697 178.5063 45 K 4.1636 8.1318 114.1473 57.4524 31.4981 178.3839 *47 A 4.3478 7.9952 124.6921 52.2996 20.6802 180.0378 48 G 3.7501 8.5022 102.7515 48.4027 0.0000 175.4396 49 H 4.3604 8.5495 121.0183 59.1010 29.8813 177.5968 50 T 4.0097 8.0342 116.9338 66.5479 68.5900 176.3099 51 A 3.8745 8.2097 122.7571 55.4364 18.4325 178.9703 52 Y 4.1247 8.2444 117.9777 61.1562 38.7759 178.5988 53 S 4.1095 8.7272 116.5603 61.2150 62.9233 176.9437 54 G 3.1821 7.9207 108.6388 47.4733 0.0000 175.6754 55 V 3.5681 7.4476 120.5990 65.9809 31.4610 178.2353 56 L 3.6480 7.5992 118.3502 57.3382 41.0601 179.1998 57 F 3.8300 8.2624 120.8058 61.0931 39.2257 177.1072 58 A 4.0719 8.0011 120.0150 55.3315 18.3120 179.5652 59 L 4.0878 8.0530 117.5004 58.1816 41.7804 179.4954 60 D 4.6921 8.8923 119.2642 57.8303 40.5337 178.3633 61 H 4.1416 7.7205 117.4765 58.6352 29.8617 176.5103 62 Y 4.3446 7.4710 120.5033 60.6430 38.8925 177.1373 63 F 4.3760 8.4440 117.0301 60.0955 39.6137 177.1724 64 G 3.9178 8.5304 104.9836 44.8279 0.0000 172.4427 65 K 4.3594 8.1926 120.3059 54.2594 34.1591 175.9320 66 K 4.0715 7.7219 123.8380 55.9977 32.8662 176.9619 67 T 3.9901 8.6978 116.8915 64.0453 68.9692 174.5776 68 K 4.4987 7.5471 119.9601 54.7174 35.5325 178.0181 69 G 3.7628 8.5366 110.0802 45.8453 0.0000 172.7359 70 R 4.5569 8.0880 119.3743 53.8091 32.9855 176.0015 71 K 3.8143 7.9923 119.7951 56.7350 32.7233 176.1418 72 D 4.8590 8.0833 119.1179 51.4501 42.0890 175.9049 73 V 3.9983 8.6926 117.9634 65.6467 30.9472 177.8553 74 D 4.3290 8.2589 118.9380 56.6175 40.7243 178.3101 75 W 3.9145 8.4284 129.1203 60.5200 30.6212 177.7545 76 Y 3.5818 7.6724 116.7075 60.6953 37.2795 178.2726 77 K 3.8326 8.2566 119.6916 59.6456 31.6875 179.3136 78 S 3.9043 8.0882 115.3865 61.8099 62.1293 176.5741 79 N 3.6760 7.1989 118.7429 56.0832 37.8812 177.5411 80 L 4.2395 7.8554 120.4237 57.4710 41.4758 179.1296 81 A 3.9289 8.0973 120.4006 55.2672 18.2920 179.3423 82 Q 4.0558 7.3953 114.5430 59.1981 28.8781 178.6812 83 Q 4.4145 7.2227 117.8617 56.9691 29.6051 176.2030 84 D 4.3340 7.6135 114.8215 52.1779 45.2926 176.5135 85 K 3.9450 8.4230 127.9249 59.4570 32.2468 178.7522 86 K 3.9350 8.0632 119.5463 59.4473 32.2036 178.7940 87 I 3.4998 7.3295 119.8993 63.7730 36.8217 177.9089 88 L 3.9010 7.6453 121.3210 58.5015 41.8473 178.8925 89 N 4.4096 8.4365 116.4729 56.5699 38.3937 177.5711 90 T 3.8563 8.1761 117.3418 66.5749 68.5660 176.4382 91 F 4.1060 8.7008 122.8842 61.2986 39.4728 177.1701 92 V 3.4763 8.3403 118.3131 66.1754 31.3013 177.9224 93 S 4.0972 8.3672 112.9927 61.2808 62.1698 176.2850 94 V 3.6253 7.8867 121.2197 66.0661 31.2418 177.3954 95 Y 3.8237 8.0095 119.6913 60.5373 38.4989 177.9443 96 E 3.6664 8.2693 119.4551 59.5013 29.4154 179.2237 97 Q 4.0158 7.9120 116.2874 57.8408 29.1015 177.6596 98 L 4.4206 7.7332 118.5959 57.0638 42.6768 178.1474 99 H 4.0954 7.5078 117.3641 58.6589 29.9050 176.7734 100 L 3.7810 7.2473 120.5118 57.2433 41.8963 178.8876 101 V 3.6488 7.7923 115.7168 64.5449 31.1207 177.1264 *103 A 4.4762 7.7361 119.9261 52.9418 20.4351 177.2585 104 Y 4.2476 7.7941 114.9555 59.8423 39.1999 176.1532 105 D 4.4726 8.1357 116.8803 54.0164 41.5169 177.3039 106 G 3.7736 8.1922 106.4186 46.0543 0.0000 173.0719 107 V 4.2443 7.7711 119.8454 60.9403 32.2738 176.1637 108 G 4.1083 8.5012 117.0628 43.4827 0.0000 168.9410 109 D 4.5335 8.2452 122.6333 53.1715 41.9488 175.5061 110 A 4.0434 8.1784 130.9697 55.3213 18.2667 178.8478 111 E 3.8216 7.8430 116.4938 59.5426 29.5162 179.7187 112 V 3.5602 7.5296 116.8403 65.7762 31.5295 178.0915 113 V 3.3895 8.1308 118.4732 65.9066 31.2931 177.7158 114 K 3.7637 8.2025 119.5114 59.5751 31.9047 178.6162 115 L 4.1065 7.7303 119.3189 57.7900 41.5602 179.6219 116 G 3.7538 8.2116 105.6451 48.1232 0.0000 175.7427 117 F 4.5472 8.6837 120.4239 60.1840 38.8927 177.8318 118 Q 4.0807 8.3376 117.9464 59.2160 28.4292 179.1569 119 R 3.9892 8.3601 118.8556 59.0172 30.0575 178.9576 120 A 4.0527 8.0314 120.6086 55.4257 18.4131 179.4590 121 E 3.9761 8.2587 117.0034 59.7679 29.5080 179.7682 122 I 3.8221 7.7285 119.3245 64.4168 37.1075 178.5802 123 I 3.9109 7.6039 120.7778 64.2611 37.0113 178.4846 124 I 3.7707 7.9100 120.7410 64.3990 36.9707 178.0760 125 D 4.3660 8.5328 120.1348 57.1862 40.6268 178.5729 126 W 4.0945 8.3322 128.6686 60.5333 30.6897 177.9271 127 V 3.0036 8.0827 118.0089 65.9640 30.7094 177.3406 128 E 3.8084 7.8065 117.4418 59.4322 29.4024 178.9310 129 R 3.8904 7.4075 116.7480 59.2269 30.5696 178.4520 130 R 3.5302 7.3429 118.6346 59.0852 29.3713 178.1008 131 L 4.0663 7.1902 115.8111 54.3383 41.7187 176.8802 132 A 4.0981 7.6666 128.1758 52.7727 19.3838 177.0617 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 7 L 8.17 4.56 0.00 1.74 1.73 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.66 4.23 0.00 4.05 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 9 A 9.28 3.90 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 10 Q 8.15 3.93 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 11 E 8.16 4.00 0.00 2.25 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 2.35 2.34 0.00 12 A 8.15 4.25 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 13 V 7.75 3.60 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 1.02 0.00 0.00 0.91 0.00 0.00 14 I 7.83 3.69 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 1.41 0.54 0.91 0.00 0.00 15 E 8.44 3.83 0.00 2.10 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 1.47 1.64 0.00 16 A 8.42 3.88 1.42 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 17 K 8.30 4.02 0.00 1.93 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.67 7.81 18 R 8.18 3.85 0.00 1.99 2.01 0.00 3.04 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 19 Y 8.10 3.86 0.00 3.09 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 20 L 7.81 3.74 0.00 1.71 1.73 0.46 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.39 4.39 0.00 2.81 2.83 0.00 0.00 7.06 6.90 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 22 N 8.42 4.27 0.00 2.92 2.81 0.00 0.00 6.85 7.59 0.00 0.00 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 A 8.10 4.03 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 24 K 7.99 4.18 0.00 2.07 1.99 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.88 1.72 7.81 25 D 8.33 4.39 0.00 2.87 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 26 I 7.93 3.66 2.07 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 0.71 1.07 0.00 0.00 27 L 7.88 3.79 0.00 1.73 1.07 0.60 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.79 3.96 0.00 1.87 2.19 0.00 3.28 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 29 D 8.19 4.57 0.00 2.62 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 30 K 8.48 4.34 0.00 1.21 0.74 0.00 1.33 0.00 0.00 1.26 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.53 1.02 7.81 31 G 8.24 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 32 G 7.75 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 33 K 7.95 4.12 0.00 1.67 1.64 0.00 1.65 0.00 0.00 1.32 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.03 0.40 7.81 34 E 9.06 4.33 0.00 2.03 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 0.00 2.22 2.26 0.00 35 D 9.57 4.68 0.00 2.94 2.85 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 36 G 8.30 3.57 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 0.00 37 F 7.63 4.98 0.00 3.03 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 38 Y 8.54 4.48 0.00 3.05 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 39 Q 8.64 4.17 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 40 D 8.11 4.78 0.00 2.87 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 41 S 8.64 4.30 0.00 3.89 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 42 K 7.51 3.69 0.00 1.62 1.85 0.00 1.42 0.00 0.00 1.50 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.58 1.16 7.81 43 Y 7.67 4.21 0.00 3.06 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 44 V 7.77 3.76 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 1.17 0.00 0.00 1.08 0.00 0.00 45 K 8.13 4.16 0.00 2.01 1.77 0.00 1.65 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.55 1.59 7.81 *47 A 8.00 4.35 1.50 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 0.00 0.00 48 G 8.50 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 0.00 0.00 0.00 49 H 8.55 4.36 0.00 3.37 3.42 0.00 5.79 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 50 T 8.03 4.01 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 51 A 8.21 3.87 1.14 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 0.00 0.00 52 Y 8.24 4.12 0.00 3.17 3.21 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 53 S 8.73 4.11 0.00 4.18 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 54 G 7.92 3.18 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 0.00 55 V 7.45 3.57 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 1.12 0.00 0.00 1.01 0.00 0.00 56 L 7.60 3.65 0.00 1.63 1.49 0.81 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.26 3.83 0.00 2.88 2.94 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 58 A 8.00 4.07 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 59 L 8.05 4.09 0.00 2.00 2.22 0.68 1.22 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 60 D 8.89 4.69 0.00 2.70 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 61 H 7.72 4.14 0.00 2.90 3.39 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.47 4.34 0.00 2.66 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 63 F 8.44 4.38 0.00 3.29 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 64 G 8.53 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 65 K 8.19 4.36 0.00 1.69 1.65 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.43 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.26 7.81 66 K 7.72 4.07 0.00 0.79 1.13 0.00 0.87 0.00 0.00 1.43 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.22 7.81 67 T 8.70 3.99 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 1.20 0.00 0.00 68 K 7.55 4.50 0.00 1.68 1.68 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.36 7.81 69 G 8.54 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 70 R 8.09 4.56 0.00 1.74 1.78 0.00 3.22 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 71 K 7.99 3.81 0.00 1.59 1.41 0.00 1.49 0.00 0.00 1.17 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.69 7.81 72 D 8.08 4.86 0.00 2.91 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 73 V 8.69 4.00 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 0.77 0.00 0.00 0.37 0.00 0.00 74 D 8.26 4.33 0.00 2.88 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 75 W 8.43 3.91 0.00 3.27 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 76 Y 7.67 3.58 0.00 2.90 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 0.00 0.00 0.00 0.00 77 K 8.26 3.83 0.00 1.89 1.84 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.78 7.81 78 S 8.09 3.90 0.00 3.69 3.64 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 79 N 7.20 3.68 0.00 1.44 1.42 0.00 0.00 7.14 6.03 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 80 L 7.86 4.24 0.00 1.61 1.55 0.55 0.40 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 81 A 8.10 3.93 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 82 Q 7.40 4.06 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 83 Q 7.22 4.41 0.00 2.48 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.71 0.00 0.00 0.00 0.00 0.00 2.96 2.71 0.00 84 D 7.61 4.33 0.00 2.80 2.33 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 0.00 85 K 8.42 3.95 0.00 1.85 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.48 7.81 86 K 8.06 3.94 0.00 1.85 1.76 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.51 7.81 87 I 7.33 3.50 1.18 0.00 0.00 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 1.18 -0.36 0.04 0.00 0.00 88 L 7.65 3.90 0.00 1.71 1.75 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.44 4.41 0.00 2.88 2.86 0.00 0.00 7.13 7.25 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 90 T 8.18 3.86 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 1.26 0.00 0.00 91 F 8.70 4.11 0.00 3.12 3.32 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 92 V 8.34 3.48 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 0.98 0.00 0.00 1.07 0.00 0.00 93 S 8.37 4.10 0.00 3.93 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 94 V 7.89 3.63 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 1.10 0.00 0.00 1.03 0.00 0.00 95 Y 8.01 3.82 0.00 2.58 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 96 E 8.27 3.67 0.00 2.14 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 2.60 2.52 0.00 97 Q 7.91 4.02 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 98 L 7.73 4.42 0.00 1.88 1.99 1.12 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 99 H 7.51 4.10 0.00 1.59 2.63 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.25 3.78 0.00 1.66 1.46 0.64 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.79 3.65 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 1.02 0.00 0.00 0.91 0.00 0.00 *103 A 7.74 4.48 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 0.00 104 Y 7.79 4.25 0.00 2.79 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 0.00 105 D 8.14 4.47 0.00 2.93 2.70 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 0.00 106 G 8.19 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 0.00 107 V 7.77 4.24 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 0.87 0.00 0.00 0.95 0.00 0.00 108 G 8.50 4.11 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 0.00 0.00 0.00 109 D 8.25 4.53 0.00 2.92 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 0.00 110 A 8.18 4.04 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 0.00 111 E 7.84 3.82 0.00 1.88 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 2.33 2.26 0.00 112 V 7.53 3.56 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 1.01 0.00 0.00 1.03 0.00 0.00 113 V 8.13 3.39 2.16 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 0.36 0.00 0.00 0.94 0.00 0.00 114 K 8.20 3.76 0.00 1.89 1.94 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 115 L 7.73 4.11 0.00 1.86 1.71 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.21 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 0.00 0.00 0.00 117 F 8.68 4.55 0.00 3.15 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 0.00 118 Q 8.34 4.08 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 119 R 8.36 3.99 0.00 2.02 2.03 0.00 3.32 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.83 0.00 120 A 8.03 4.05 1.42 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 0.00 121 E 8.26 3.98 0.00 2.21 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 2.35 2.54 0.00 122 I 7.73 3.82 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.04 0.95 0.00 0.00 123 I 7.60 3.91 2.12 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 1.03 0.00 0.00 124 I 7.91 3.77 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 1.55 0.97 0.93 0.00 0.00 125 D 8.53 4.37 0.00 2.90 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 0.00 126 W 8.33 4.09 0.00 3.51 3.41 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 0.00 127 V 8.08 3.00 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 0.81 0.00 0.00 1.07 0.00 0.00 128 E 7.81 3.81 0.00 1.97 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 0.00 2.26 2.31 0.00 129 R 7.41 3.89 0.00 1.73 1.75 0.00 3.18 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 130 R 7.34 3.53 0.00 0.67 0.66 0.00 2.59 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 131 L 7.19 4.07 0.00 1.67 1.60 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.67 4.10 1.13 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.