NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 K 4.2420 8.1727 122.0562 56.3214 34.1591 174.0238 2 V 4.5521 8.1975 127.0371 60.9048 32.1558 174.6424 3 F 4.3788 9.5942 128.2106 57.3862 40.2586 175.3378 4 G 3.9133 8.7260 108.2367 45.4194 0.0000 174.7725 5 R 3.4513 8.7637 120.6301 59.8210 30.0712 179.7167 6 C 4.3725 8.0756 115.4349 59.6455 38.8102 175.5809 7 E 3.9086 8.1038 120.7568 59.1600 29.2516 178.5212 8 L 3.5435 8.0531 120.1687 57.8777 42.1214 178.4996 9 A 3.9230 7.8707 120.5658 55.3393 18.2472 179.5585 10 A 3.9225 8.0834 118.8268 55.2079 18.5754 179.7844 11 A 3.9713 8.0321 119.3889 55.5072 18.4547 179.8315 12 M 3.8541 8.2925 117.7314 58.1315 31.9133 178.9139 13 K 3.8557 8.0730 119.8084 59.5971 32.2407 178.8930 14 R 3.9379 7.8722 117.4570 59.2429 29.8962 177.0499 15 H 4.6471 7.6067 113.6559 54.9856 28.7850 175.3759 16 G 3.8522 8.0557 108.6826 46.6037 0.0000 175.3935 17 L 3.6782 7.6881 122.2573 55.9346 42.0385 176.4438 18 D 4.5051 7.9750 117.7491 55.6978 41.2305 175.2578 19 N 4.3945 9.4706 122.8042 53.9841 37.0384 173.3904 20 Y 4.2764 8.3795 121.4060 58.8286 39.0433 176.2603 21 R 3.4185 9.1131 125.3808 57.2198 27.7173 177.3485 22 G 3.7116 8.3303 105.5610 45.4172 0.0000 173.7560 23 Y 4.4605 7.9324 118.9115 55.9412 38.5751 175.7750 24 S 4.7024 8.5556 119.8947 57.8054 64.1226 174.8690 25 L 4.2983 8.8002 123.0139 58.6985 41.6280 179.5279 26 G 3.9523 8.3803 104.9323 48.0581 0.0000 175.1799 27 N 4.5134 8.4489 118.5437 56.1258 38.5431 177.5770 28 W 3.8632 7.8965 119.8781 59.5613 29.2310 178.7114 29 V 3.6035 7.9563 118.4053 65.8503 31.0118 177.3308 30 C 2.5720 8.0484 118.0991 58.9840 44.5374 175.3241 31 A 3.8799 7.9338 122.1771 55.1338 17.8349 179.4565 32 A 4.0247 7.6727 120.5107 54.4646 18.4598 179.4191 33 K 2.4800 7.4422 118.0069 59.5055 31.8036 178.8296 34 F 4.5183 6.9652 115.4082 59.4360 38.9889 177.5108 35 E 4.3227 8.0643 118.4630 58.3284 29.9541 177.4368 36 S 4.5406 7.8980 109.8800 56.5604 64.4060 173.5756 37 N 4.0683 8.4006 118.3534 54.8724 37.4823 174.1541 38 F 4.1332 7.9523 111.0483 57.7665 36.6006 173.7134 39 N 5.3588 7.7891 120.4926 51.9295 39.5347 175.9800 40 T 4.0333 8.9505 117.4129 64.5493 69.0060 175.6995 41 Q 4.3805 8.3558 118.7790 55.8767 29.2790 175.7342 42 A 4.3638 7.8118 122.2571 52.3294 19.3865 176.9751 43 T 4.9731 8.2808 110.7323 60.2651 72.4899 173.1630 44 N 4.9133 8.5504 120.0011 52.0673 43.3017 173.5458 45 R 4.6846 8.6162 124.1538 55.5941 31.7038 175.2346 46 N 5.0023 8.9842 123.3218 51.6476 41.0083 176.3474 47 T 3.8931 8.5206 110.4724 64.8497 68.9398 175.2287 48 D 4.4373 8.0006 118.5208 53.8420 39.4077 176.9489 49 G 3.9141 8.0625 109.6462 45.3012 0.0000 173.8995 50 S 4.6172 8.0742 114.9240 58.2410 65.2470 173.1084 51 T 5.0399 9.0215 115.4339 62.0122 72.9838 172.9685 52 D 5.4867 9.1218 124.4818 53.1140 43.4284 175.1086 53 Y 4.9408 9.0580 120.4229 57.4221 41.7846 177.1121 54 G 4.0361 9.0954 112.4697 44.4087 0.0000 173.3489 55 I 3.9025 8.2971 116.4901 62.8411 37.7405 177.3038 56 L 4.5748 7.9351 116.2318 53.5215 42.4649 176.2072 57 Q 3.4529 8.0708 116.8246 57.1090 26.7329 174.4572 58 I 4.1378 7.9868 118.8198 61.1091 39.0545 177.0310 59 N 5.3638 9.1084 126.2813 53.6674 39.6699 175.6921 60 S 4.6304 9.0672 120.4577 60.1578 63.4068 175.4744 61 R 3.6706 8.8163 122.3184 58.2081 30.4336 178.1563 62 W 4.1312 7.9811 117.1515 56.6428 31.6449 176.8664 63 W 5.0934 8.1936 117.4582 57.6554 30.6619 174.0777 64 C 5.5896 8.1043 112.3237 53.7759 44.8023 172.3636 65 N 4.9487 8.8606 118.9540 52.0250 40.0246 174.7421 66 D 4.6595 8.7896 124.1521 52.4118 40.2266 177.1121 67 G 3.9533 8.2803 107.3180 46.2457 0.0000 174.3906 68 R 4.5621 8.5434 114.0994 55.6902 30.4180 175.6048 69 T 4.3608 7.6434 116.1677 61.1426 69.0638 171.1669 70 P 4.2982 0.0000 0.0000 64.0183 31.7161 177.2243 71 G 3.7638 8.8360 110.5642 45.4647 0.0000 173.3097 72 S 4.1141 7.5064 113.7436 58.4567 62.6908 174.4502 73 R 4.1037 8.3924 124.9487 55.7896 31.2512 175.9070 74 N 4.1659 7.5524 116.2043 54.3537 37.7431 175.4186 75 L 4.0467 8.3195 118.2227 57.7047 42.2104 178.2150 76 C 4.6390 8.6163 113.9649 56.2397 41.0478 173.1751 77 N 4.1707 8.1456 117.0119 53.3576 36.2296 173.5275 78 I 4.5833 7.9832 110.8584 58.7296 41.5633 173.2980 79 P 4.8258 0.0000 0.0000 62.4661 32.3303 178.0323 80 C 3.9866 8.7164 119.1939 60.1136 38.4111 176.7630 81 S 3.9134 7.9044 115.0722 61.2581 62.3262 176.2499 82 A 4.0781 8.0551 124.2434 54.6053 17.8623 178.7928 83 L 4.3403 7.7792 115.6054 56.0086 41.9514 177.4656 84 L 5.4094 7.4132 117.3918 53.6597 42.3031 176.7823 85 S 4.3505 7.4042 112.8196 58.0560 62.7918 174.4117 86 S 4.2734 8.5171 118.8988 60.3228 63.2455 173.6971 87 D 4.6834 7.7587 121.4580 53.2980 41.2900 176.4507 88 I 4.0347 8.3571 119.8779 61.6714 37.9107 177.3705 89 T 3.6667 8.3335 119.3338 67.1905 68.3937 175.7160 90 A 3.9542 7.9108 121.5701 55.2861 18.3744 179.6709 91 S 4.0614 7.9278 113.1408 61.6690 62.9970 176.9556 92 V 3.2774 7.9460 121.2538 66.0011 30.7774 177.8268 93 N 4.1974 8.2672 116.5414 56.3686 38.3544 176.6654 94 C 4.2834 8.2658 119.6838 59.5679 41.5882 175.3812 95 A 4.0536 8.2118 122.6930 55.1376 17.6677 179.7075 96 K 3.6885 7.6104 116.1939 59.4340 32.1884 179.4159 97 K 4.1931 7.6451 117.5103 59.4091 31.9285 179.3139 98 I 2.8499 7.2597 120.2147 64.2047 36.6922 178.9707 99 V 3.7387 8.4094 119.7333 64.3131 30.7853 177.4904 100 S 4.6009 7.8351 114.7896 59.1651 62.8664 174.8857 101 D 4.6422 8.0074 121.1205 55.1032 41.0058 175.8032 102 G 4.1306 7.5551 105.5681 46.4743 0.0000 174.4970 103 N 4.7342 8.3516 114.9613 51.9394 39.7033 175.9841 104 G 3.9508 7.8269 107.5747 45.5476 0.0000 175.0221 105 M 4.1816 7.4190 120.1197 56.2172 31.7025 177.7393 106 N 4.8374 7.8354 116.7093 55.2813 38.8667 176.2428 107 A 3.8232 7.4888 120.0749 53.7852 18.6682 177.8060 108 W 4.6436 8.2180 117.0179 55.0868 30.0901 177.2069 109 V 3.7117 8.5461 125.6834 64.9811 30.7389 178.0794 110 A 4.0161 8.2838 121.3449 54.2737 18.1815 179.5669 111 W 3.9526 8.1673 126.7953 60.5893 30.7491 177.8800 112 R 3.5371 8.1246 117.2759 59.6297 29.6209 177.7800 113 N 4.5128 8.1612 114.0468 54.6422 38.8525 176.0065 114 R 4.4378 7.9101 115.7824 55.3796 32.5573 175.1554 115 C 4.7691 7.6456 114.2914 57.7130 42.5183 174.3067 116 K 3.2052 7.0874 119.7459 57.6462 31.7465 175.8093 117 A 3.7324 8.5868 127.8425 53.5273 15.9866 176.4066 118 T 4.6709 7.3843 107.5239 60.8605 71.9083 175.0914 119 D 4.7664 8.2162 121.0412 53.6866 39.0789 176.4654 120 V 4.2172 8.0152 117.1539 63.1756 32.0397 177.3678 121 Q 4.1471 8.2614 117.8106 58.7332 28.4214 178.1227 122 A 3.9882 7.9042 121.5619 54.8556 18.0612 179.5448 123 W 4.3297 8.0938 116.7076 58.5723 29.4382 176.9199 124 I 4.4563 7.7371 110.7651 59.9624 37.9542 175.4048 125 R 4.0156 7.4115 122.3706 58.2010 30.1187 176.8012 126 G 3.9794 8.9354 112.6462 45.6158 0.0000 173.8875 127 C 4.5017 7.7295 117.1840 55.8500 41.1797 173.9668 128 R 4.2365 8.3846 124.1078 55.5507 28.8293 176.2363 129 L 4.3496 8.2548 124.1285 54.7109 42.0868 176.8154 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 K 8.17 4.24 0.00 1.86 1.74 0.00 1.30 0.00 0.00 0.90 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.45 7.81 2 V 8.20 4.55 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 0.95 0.00 0.00 0.98 0.00 0.00 3 F 9.59 4.38 0.00 2.96 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 4 G 8.73 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 0.00 0.00 0.00 5 R 8.76 3.45 0.00 2.03 2.00 0.00 3.66 0.00 0.00 3.70 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 6 C 8.08 4.37 0.00 3.01 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 7 E 8.10 3.91 0.00 2.06 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 2.63 2.43 0.00 8 L 8.05 3.54 0.00 1.44 1.37 -0.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.87 3.92 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 10 A 8.08 3.92 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 11 A 8.03 3.97 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 12 M 8.29 3.85 0.00 1.83 2.04 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.28 0.00 13 K 8.07 3.86 0.00 1.91 1.93 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.44 7.81 14 R 7.87 3.94 0.00 1.90 2.02 0.00 3.25 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 15 H 7.61 4.65 0.00 3.20 3.14 0.00 5.98 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.06 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 17 L 7.69 3.68 0.00 1.45 0.73 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.98 4.51 0.00 2.64 2.65 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 19 N 9.47 4.39 0.00 3.13 2.96 0.00 0.00 6.22 6.77 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 20 Y 8.38 4.28 0.00 3.25 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 21 R 9.11 3.42 0.00 2.28 2.14 0.00 3.43 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.65 0.00 22 G 8.33 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 23 Y 7.93 4.46 0.00 3.14 2.57 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 24 S 8.56 4.70 0.00 4.10 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 25 L 8.80 4.30 0.00 2.04 1.83 0.97 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.38 3.95 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 0.00 27 N 8.45 4.51 0.00 2.72 2.52 0.00 0.00 6.95 7.05 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 28 W 7.90 3.86 0.00 3.42 3.03 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 29 V 7.96 3.60 2.17 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 1.08 0.00 0.00 1.01 0.00 0.00 30 C 8.05 2.57 0.00 2.58 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 31 A 7.93 3.88 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 32 A 7.67 4.02 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 33 K 7.44 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.03 0.00 0.00 3.06 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 F 6.97 4.52 0.00 3.05 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 35 E 8.06 4.32 0.00 1.99 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 0.00 2.56 2.54 0.00 36 S 7.90 4.54 0.00 4.14 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 0.00 37 N 8.40 4.07 0.00 2.79 2.89 0.00 0.00 7.19 6.44 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 38 F 7.95 4.13 0.00 3.37 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 39 N 7.79 5.36 0.00 2.86 2.89 0.00 0.00 6.97 7.92 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 40 T 8.95 4.03 4.50 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 1.59 0.00 0.00 41 Q 8.36 4.38 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 42 A 7.81 4.36 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 43 T 8.28 4.97 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 1.22 0.00 0.00 44 N 8.55 4.91 0.00 2.73 2.67 0.00 0.00 6.69 7.70 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 45 R 8.62 4.68 0.00 1.78 1.79 0.00 3.21 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.87 0.00 46 N 8.98 5.00 0.00 2.89 2.73 0.00 0.00 6.67 6.74 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 47 T 8.52 3.89 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 1.22 0.00 0.00 48 D 8.00 4.44 0.00 2.79 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.06 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 0.00 0.00 0.00 50 S 8.07 4.62 0.00 3.95 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 51 T 9.02 5.04 4.27 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 0.64 0.00 0.00 52 D 9.12 5.49 0.00 2.63 2.65 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 53 Y 9.06 4.94 0.00 2.99 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 54 G 9.10 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 55 I 8.30 3.90 1.90 0.00 0.00 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 1.30 2.30 0.86 0.00 0.00 56 L 7.94 4.57 0.00 1.77 1.83 0.80 0.67 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 57 Q 8.07 3.45 0.00 2.43 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.75 0.00 58 I 7.99 4.14 2.04 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 1.21 0.94 1.06 0.00 0.00 59 N 9.11 5.36 0.00 3.00 3.10 0.00 0.00 6.98 7.53 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 60 S 9.07 4.63 0.00 4.01 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 0.00 61 R 8.82 3.67 0.00 1.59 1.59 0.00 2.66 0.00 0.00 2.61 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 62 W 7.98 4.13 0.00 2.00 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 0.00 0.00 0.00 0.00 63 W 8.19 5.09 0.00 3.54 3.30 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 64 C 8.10 5.59 0.00 3.04 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 65 N 8.86 4.95 0.00 2.83 2.67 0.00 0.00 7.12 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 66 D 8.79 4.66 0.00 2.78 2.53 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 67 G 8.28 3.95 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 0.00 68 R 8.54 4.56 0.00 1.88 1.96 0.00 3.04 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 69 T 7.64 4.36 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 1.10 0.00 0.00 70 P 0.00 4.30 0.00 1.98 1.96 0.00 3.66 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 2.06 0.00 71 G 8.84 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 72 S 7.51 4.11 0.00 3.87 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 73 R 8.39 4.10 0.00 1.70 1.89 0.00 3.45 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.35 0.00 74 N 7.55 4.17 0.00 2.99 2.73 0.00 0.00 7.03 6.54 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 75 L 8.32 4.05 0.00 1.59 1.82 0.31 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.62 4.64 0.00 3.30 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 77 N 8.15 4.17 0.00 2.84 2.82 0.00 0.00 6.70 7.04 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 78 I 7.98 4.58 1.86 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 1.46 0.70 0.92 0.00 0.00 79 P 0.00 4.83 0.00 2.18 2.17 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 80 C 8.72 3.99 0.00 1.99 1.33 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 81 S 7.90 3.91 0.00 4.04 4.10 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 82 A 8.06 4.08 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 83 L 7.78 4.34 0.00 1.86 1.82 1.00 0.86 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 84 L 7.41 5.41 0.00 1.71 1.77 1.09 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.40 4.35 0.00 3.90 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 86 S 8.52 4.27 0.00 3.98 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 87 D 7.76 4.68 0.00 2.71 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 88 I 8.36 4.03 1.68 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 0.76 0.00 0.00 89 T 8.33 3.67 4.23 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 1.25 0.00 0.00 90 A 7.91 3.95 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 91 S 7.93 4.06 0.00 3.96 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 92 V 7.95 3.28 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 0.68 0.00 0.00 0.64 0.00 0.00 93 N 8.27 4.20 0.00 2.73 2.80 0.00 0.00 6.71 8.05 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 94 C 8.27 4.28 0.00 3.09 3.06 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 95 A 8.21 4.05 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 96 K 7.61 3.69 0.00 1.68 1.58 0.00 1.33 0.00 0.00 1.17 0.00 0.00 2.22 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.93 7.81 97 K 7.65 4.19 0.00 1.97 1.99 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.67 7.81 98 I 7.26 2.85 1.59 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.21 0.00 0.00 99 V 8.41 3.74 2.58 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 1.40 0.00 0.00 0.88 0.00 0.00 100 S 7.84 4.60 0.00 4.08 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 0.00 101 D 8.01 4.64 0.00 3.00 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 0.00 102 G 7.56 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 0.00 0.00 0.00 103 N 8.35 4.73 0.00 2.72 2.82 0.00 0.00 7.04 7.75 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 0.00 104 G 7.83 3.95 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 0.00 105 M 7.42 4.18 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.99 0.00 106 N 7.84 4.84 0.00 2.91 3.00 0.00 0.00 6.88 7.60 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 0.00 107 A 7.49 3.82 0.71 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 0.00 108 W 8.22 4.64 0.00 3.60 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 0.00 109 V 8.55 3.71 2.14 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 0.86 0.00 0.00 0.96 0.00 0.00 110 A 8.28 4.02 1.48 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 0.00 111 W 8.17 3.95 0.00 3.33 3.60 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 0.00 112 R 8.12 3.54 0.00 2.04 2.14 0.00 3.36 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 113 N 8.16 4.51 0.00 2.74 2.77 0.00 0.00 6.88 7.82 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 0.00 114 R 7.91 4.44 0.00 1.52 1.25 0.00 2.87 0.00 0.00 2.83 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.43 0.00 115 C 7.65 4.77 0.00 2.46 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 0.00 116 K 7.09 3.21 0.00 0.79 1.31 0.00 1.61 0.00 0.00 1.50 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.19 0.84 7.81 117 A 8.59 3.73 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 0.00 118 T 7.38 4.67 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 1.20 0.00 0.00 119 D 8.22 4.77 0.00 2.82 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 4.22 2.37 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 1.02 0.00 0.00 1.09 0.00 0.00 121 Q 8.26 4.15 0.00 2.17 2.20 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 2.50 2.56 0.00 122 A 7.90 3.99 1.11 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 0.00 123 W 8.09 4.33 0.00 3.56 3.36 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 0.00 124 I 7.74 4.46 1.94 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 1.34 0.88 1.03 0.00 0.00 125 R 7.41 4.02 0.00 1.78 1.94 0.00 3.26 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 126 G 8.94 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 0.00 127 C 7.73 4.50 0.00 3.08 3.03 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 0.00 128 R 8.38 4.24 0.00 1.77 1.88 0.00 3.19 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 129 L 8.25 4.35 0.00 1.65 1.53 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.