NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 Y 4.8444 8.1029 119.0408 57.1777 40.5158 174.0246 16 V 4.7091 8.7957 118.4226 59.6475 36.3824 172.3550 17 I 4.7495 9.2104 128.4898 59.8130 39.4269 175.4738 18 D 5.0584 9.6837 131.6728 52.7367 43.3082 173.0367 *19 H 4.2600 8.6417 108.7680 56.8662 25.4776 172.8671 20 I 4.1079 7.1373 120.9415 60.8637 37.3530 174.2770 21 P 4.4425 0.0000 0.0000 63.3226 31.7500 176.5443 22 S 5.4478 7.9439 118.4902 60.2670 62.1491 171.6939 23 G 4.2539 8.5835 117.1236 45.5523 0.0000 174.9712 24 Q 4.4383 8.1312 117.0086 56.9122 28.8284 178.2736 25 G 3.6586 8.1788 107.6911 47.4462 0.0000 175.9222 26 V 3.9692 8.2646 121.1123 65.0495 31.0937 178.5141 27 K 4.0417 7.8478 118.3491 59.0175 31.8200 179.4303 28 I 4.0891 7.7183 120.3979 64.4444 36.9475 178.2218 29 L 4.1578 8.2220 121.7461 58.8119 41.5203 179.9909 30 K 4.0680 7.9487 123.6229 59.8175 31.5061 180.9620 31 L 3.9896 8.2911 120.6108 56.7660 41.7206 178.4386 32 F 4.5535 8.2703 117.1914 56.9000 39.7950 176.2937 33 S 3.8183 7.7958 116.6644 59.2145 59.6074 177.6380 34 L 4.3356 7.8754 121.2788 57.2745 42.0956 178.5478 35 T 4.5049 7.7887 108.0128 61.7029 69.1824 175.0141 36 D 4.5397 8.0873 123.6470 56.7909 42.0305 176.7794 37 T 4.2695 7.7158 110.1349 61.1197 69.8677 175.1597 38 K 4.0577 8.6792 125.6886 58.1805 31.8906 178.1547 39 Q 4.2534 7.3111 117.1599 56.0304 28.6460 180.1513 40 R 4.1622 8.5343 120.9578 56.0824 31.5261 175.8432 41 V 4.8009 8.1517 121.3391 61.6164 34.8469 174.4422 42 T 4.7864 8.9854 123.3553 61.8808 72.6276 173.0961 43 V 4.6653 8.2722 123.3487 61.2282 35.1201 174.2369 44 G 4.0677 8.6392 113.9107 44.3948 0.0000 171.2345 45 F 5.2569 8.8986 123.8271 56.7519 40.9843 171.3449 46 N 4.4653 10.0204 130.5279 53.8466 38.3648 174.2020 47 L 4.3435 8.4878 123.2112 55.3484 47.5133 172.0315 *55 K 4.4028 7.7388 119.9052 55.8339 33.7325 180.6756 56 D 4.8928 8.9366 124.3706 53.2499 43.2034 175.0015 57 L 4.8550 8.2689 120.0722 54.2648 46.0663 174.0986 58 I 5.1087 8.5448 126.2589 60.1132 41.7291 174.9849 59 K 4.8471 9.1671 128.9933 53.3221 35.7519 174.1478 60 V 4.2644 8.5118 126.5393 60.7236 33.4139 175.3071 61 E 3.9379 8.9719 127.4837 56.8048 30.0700 174.0570 62 N 4.1717 8.6696 121.8573 52.6414 35.6205 173.4091 63 T 4.6064 7.5349 114.9784 63.0779 73.1181 174.1339 64 E 4.8013 8.5464 120.6847 54.8278 31.9064 175.0258 65 I 4.4170 7.5703 118.5242 59.8378 41.4241 175.9617 66 T 4.2591 8.1658 124.1585 63.4771 70.2715 176.8702 67 K 4.0473 8.3879 126.8342 60.0040 32.0472 179.4883 68 S 4.3924 8.0307 114.2902 62.3436 62.6957 176.5992 69 Q 4.0093 7.9390 119.8316 58.6626 28.4464 178.3647 70 A 3.8263 7.7792 121.9660 55.5059 18.2925 179.4642 71 N 4.2953 8.1248 114.2189 56.1221 38.0284 177.3272 72 Q 4.1005 7.7991 120.0594 59.3581 28.7359 179.3154 73 L 3.6532 7.6148 119.5428 57.4863 41.3827 179.0228 74 A 4.1505 8.0556 120.9206 55.5749 17.8881 179.5631 75 L 4.1015 7.4575 116.2495 57.6793 41.7611 178.9760 76 L 4.7028 8.3839 117.5044 55.0444 42.9064 176.5709 77 A 4.6245 7.6082 122.4915 49.3665 18.9330 173.7617 78 P 4.5892 0.0000 0.0000 65.6839 31.8332 177.8376 79 N 4.9468 7.8805 113.7251 49.6202 37.9979 173.5040 80 A 4.8232 7.9311 124.9596 50.4277 22.2476 176.8291 81 T 4.0792 8.2620 117.1726 61.4027 70.3440 170.6352 82 I 4.6702 8.6615 127.1034 59.0782 39.4040 174.9481 83 N 5.3315 8.8515 125.0940 52.0808 41.3392 174.4251 84 I 4.9007 8.0752 120.2307 59.7980 41.2443 175.0016 85 I 4.4412 8.5081 127.9412 60.2155 37.7507 175.0141 86 E 4.3471 8.1781 125.6980 56.3632 31.6422 174.5633 87 N 4.2511 8.6143 126.7532 54.6405 36.2674 175.0104 *88 F 3.7508 8.6090 113.9965 58.2671 36.7889 175.7491 89 K 4.5236 7.3104 119.6468 53.1419 35.7369 179.4930 90 V 4.1402 8.2547 118.4947 64.3610 32.0867 175.3889 91 T 4.5444 8.3333 115.1862 62.6765 70.7781 173.6449 92 D 4.7744 7.8942 119.3752 52.2113 45.4191 174.0844 93 K 4.9101 8.4022 123.3551 54.4220 32.6526 173.7346 *94 H 4.2982 8.9667 121.3555 55.3797 29.8000 173.9127 95 S 5.0610 8.5953 117.8047 56.4295 64.4276 173.2263 96 L 4.5641 8.4405 126.1156 54.1852 42.6159 176.1565 97 T 4.6245 8.1461 118.1905 61.0866 71.5451 173.8359 98 L 4.0990 8.2615 123.2494 54.1885 41.8005 176.0454 99 P 4.6788 0.0000 0.0000 61.8627 33.0427 175.7971 100 N 4.6106 8.6357 114.7630 55.4729 39.3890 175.0602 101 E 5.1365 8.1367 117.2606 54.3137 33.1566 175.9838 102 V 4.6257 8.6825 125.6782 61.4647 31.5218 174.7046 103 E 4.2641 9.0762 121.7465 56.7364 30.8054 179.6100 104 N 4.4071 7.8952 119.1344 56.5064 33.6689 172.9223 105 V 3.7587 8.0944 122.4388 64.5023 33.9113 175.4043 106 F 5.0239 7.8635 116.3506 54.7401 41.3985 173.6653 107 P 4.6684 0.0000 0.0000 62.2336 32.0579 175.3473 108 C 4.5644 8.5687 120.1548 58.5084 31.9807 172.8739 109 P 3.7888 0.0000 0.0000 64.5864 31.3001 175.9045 110 N 4.6153 7.5212 118.1064 53.1659 38.7328 175.5946 111 S 4.1490 8.7749 121.7900 61.3118 63.2985 175.0103 112 N 4.5029 8.3402 117.7948 54.7137 39.1193 174.6450 113 C 4.1702 7.8585 118.7535 59.8025 32.0613 174.2790 114 I 3.6902 8.3555 126.1128 64.1252 37.8470 176.8451 115 T 3.6055 7.8264 116.1052 66.9238 67.7841 174.5607 116 H 4.2655 7.6475 118.5780 58.9832 28.9428 177.0286 117 G 3.8867 7.9003 106.6840 46.2085 0.0000 172.7615 118 E 4.6666 7.3552 118.8458 53.6299 32.5177 174.8206 119 P 4.6061 0.0000 0.0000 62.5317 30.2036 175.6063 120 V 4.4753 6.8762 110.1439 60.2732 36.1013 175.3291 121 T 4.4839 8.2688 116.5412 61.0286 68.1792 174.7271 122 S 4.3860 8.6619 123.1381 59.0403 64.8659 173.0231 123 S 5.0761 7.4683 112.5478 58.4920 65.8011 173.5899 124 F 5.5440 8.8170 125.1364 55.7059 43.0459 174.1988 125 S 5.0970 9.1149 117.6533 57.8759 65.0802 173.1429 126 I 4.4491 8.2956 125.0199 62.0937 38.2054 175.1629 127 K 3.8689 9.7707 134.0444 56.2394 31.2558 174.7539 *132 N 4.5765 8.7048 120.3121 53.9685 39.3568 176.7297 133 I 4.2924 7.9861 123.6954 58.3245 36.6408 174.1034 134 G 4.4463 8.3336 115.4008 43.8086 0.0000 169.6393 135 L 5.2614 9.2922 121.7945 52.6185 44.6409 175.4923 136 K 5.0381 9.5880 126.7952 54.3984 34.5494 174.7980 137 C 4.0815 8.9520 128.9193 59.8450 31.7982 173.9585 138 K 3.3313 8.7438 129.0375 59.9634 31.6827 176.8688 139 Y 4.2422 7.9793 116.6165 60.0455 38.9123 176.2479 140 C 4.2346 7.9557 115.4355 59.4196 30.4858 175.1787 141 E 4.0298 8.1284 117.7758 56.6565 27.6433 174.3891 142 K 4.3623 7.5436 117.8948 56.5279 33.7983 175.9560 143 T 5.1455 7.8544 117.2540 61.9574 71.4977 173.6616 144 F 4.9602 9.3381 127.0663 55.8919 43.1061 175.8464 145 S 4.4613 8.8611 120.9234 58.3458 61.6977 175.8163 146 K 3.8425 8.4719 126.0371 57.2957 31.8341 177.3266 147 D 4.5164 8.0718 117.8023 57.3327 41.1060 178.6630 148 I 3.6376 7.6209 118.8859 64.1858 37.2127 177.7865 149 V 3.3725 6.9536 116.9634 64.8141 31.5182 175.8803 150 T 4.1222 7.5548 120.8551 63.4574 68.5615 173.7974 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 15 Y 8.10 4.84 0.00 3.25 3.15 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 16 V 8.80 4.71 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 0.69 0.00 0.00 0.93 0.00 0.00 17 I 9.21 4.75 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.26 0.90 0.00 0.00 18 D 9.68 5.06 0.00 2.26 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 *19 H 8.64 4.26 0.00 3.08 3.03 0.00 7.17 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.14 4.11 1.93 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 1.30 0.67 0.94 0.00 0.00 21 P 0.00 4.44 0.00 2.21 2.00 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 22 S 7.94 5.45 0.00 3.63 3.69 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 0.00 0.00 0.00 23 G 8.58 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 24 Q 8.13 4.44 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 25 G 8.18 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 26 V 8.26 3.97 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 1.05 0.00 0.00 0.97 0.00 0.00 27 K 7.85 4.04 0.00 2.31 1.96 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.36 7.81 28 I 7.72 4.09 2.11 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 1.52 0.93 0.94 0.00 0.00 29 L 8.22 4.16 0.00 2.07 1.80 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.95 4.07 0.00 1.71 1.77 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 31 L 8.29 3.99 0.00 1.48 0.95 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.27 4.55 0.00 3.20 3.05 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 33 S 7.80 3.82 0.00 3.74 3.72 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 0.00 0.00 0.00 34 L 7.88 4.34 0.00 1.64 1.80 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.79 4.50 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 1.24 0.00 0.00 36 D 8.09 4.54 0.00 2.90 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 37 T 7.72 4.27 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 1.24 0.00 0.00 38 K 8.68 4.06 0.00 1.80 1.77 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.01 7.81 39 Q 7.31 4.25 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 40 R 8.53 4.16 0.00 1.82 1.84 0.00 3.15 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.20 0.00 41 V 8.15 4.80 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 0.82 0.00 0.00 0.93 0.00 0.00 42 T 8.99 4.79 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 1.17 0.00 0.00 43 V 8.27 4.67 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 -0.12 0.00 0.00 0.85 0.00 0.00 44 G 8.64 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 45 F 8.90 5.26 0.00 2.92 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 46 N 10.02 4.47 0.00 3.00 2.97 0.00 0.00 6.74 7.73 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 47 L 8.49 4.34 0.00 1.61 1.50 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 *55 K 7.74 4.40 0.00 1.47 1.76 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.05 7.81 56 D 8.94 4.89 0.00 2.61 2.50 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 57 L 8.27 4.85 0.00 1.63 1.35 0.89 0.95 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 I 8.54 5.11 1.84 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 1.09 0.68 0.84 0.00 0.00 59 K 9.17 4.85 0.00 1.35 1.61 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.21 7.81 60 V 8.51 4.26 0.67 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 0.55 0.00 0.00 0.63 0.00 0.00 61 E 8.97 3.94 0.00 1.78 1.73 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 2.26 2.16 0.00 62 N 8.67 4.17 0.00 2.82 2.86 0.00 0.00 6.94 7.54 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 63 T 7.53 4.61 4.41 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 1.33 0.00 0.00 64 E 8.55 4.80 0.00 1.98 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 2.15 1.88 0.00 65 I 7.57 4.42 1.10 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 0.79 0.57 0.00 0.00 66 T 8.17 4.26 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 1.18 0.00 0.00 67 K 8.39 4.05 0.00 1.85 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.10 7.81 68 S 8.03 4.39 0.00 3.83 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 69 Q 7.94 4.01 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 70 A 7.78 3.83 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 71 N 8.12 4.30 0.00 3.05 2.93 0.00 0.00 7.00 7.63 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 72 Q 7.80 4.10 0.00 1.98 2.48 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 2.54 2.68 0.00 73 L 7.61 3.65 0.00 1.58 1.57 0.73 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.06 4.15 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 75 L 7.46 4.10 0.00 2.05 1.98 0.92 0.94 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 76 L 8.38 4.70 0.00 1.73 1.84 1.18 0.87 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 77 A 7.61 4.62 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 78 P 0.00 4.59 0.00 2.06 2.14 0.00 3.69 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 79 N 7.88 4.95 0.00 2.68 2.57 0.00 0.00 6.36 7.46 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 80 A 7.93 4.82 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 81 T 8.26 4.08 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 82 I 8.66 4.67 1.97 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 1.23 1.11 0.86 0.00 0.00 83 N 8.85 5.33 0.00 2.68 2.74 0.00 0.00 6.50 7.10 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 84 I 8.08 4.90 1.90 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 1.24 1.27 0.98 0.00 0.00 85 I 8.51 4.44 1.86 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 1.30 0.50 0.90 0.00 0.00 86 E 8.18 4.35 0.00 2.26 1.81 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 2.21 2.09 0.00 87 N 8.61 4.25 0.00 2.98 3.03 0.00 0.00 7.16 7.71 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 *88 F 8.61 3.75 0.00 2.73 2.38 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 89 K 7.31 4.52 0.00 1.69 1.61 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.28 1.23 7.81 90 V 8.25 4.14 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 1.00 0.00 0.00 0.93 0.00 0.00 91 T 8.33 4.54 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 1.28 0.00 0.00 92 D 7.89 4.77 0.00 2.75 2.47 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 0.00 93 K 8.40 4.91 0.00 1.74 1.64 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.55 7.81 *94 H 8.97 4.30 0.00 3.11 2.94 0.00 7.19 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.60 5.06 0.00 3.84 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 96 L 8.44 4.56 0.00 1.66 1.55 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.15 4.62 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 1.22 0.00 0.00 98 L 8.26 4.10 0.00 1.63 1.65 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.68 0.00 2.22 2.10 0.00 3.82 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 100 N 8.64 4.61 0.00 2.73 2.93 0.00 0.00 6.20 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 0.00 101 E 8.14 5.14 0.00 1.94 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 2.20 2.38 0.00 102 V 8.68 4.63 2.48 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 1.13 0.00 0.00 1.19 0.00 0.00 103 E 9.08 4.26 0.00 1.75 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 2.26 2.13 0.00 104 N 7.90 4.41 0.00 2.77 3.00 0.00 0.00 6.66 7.07 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 0.00 105 V 8.09 3.76 1.75 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 -0.39 0.00 0.00 0.77 0.00 0.00 106 F 7.86 5.02 0.00 2.91 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 0.00 107 P 0.00 4.67 0.00 2.27 2.11 0.00 3.95 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 108 C 8.57 4.56 0.00 3.05 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 0.00 109 P 0.00 3.79 0.00 1.20 1.80 0.00 2.70 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.62 0.00 110 N 7.52 4.62 0.00 3.15 2.88 0.00 0.00 6.77 7.10 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 0.00 111 S 8.77 4.15 0.00 4.02 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 0.00 112 N 8.34 4.50 0.00 2.75 3.02 0.00 0.00 7.16 7.65 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 0.00 113 C 7.86 4.17 0.00 3.10 2.72 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 0.00 0.00 0.00 114 I 8.36 3.69 1.85 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 1.36 0.70 0.77 0.00 0.00 115 T 7.83 3.61 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 1.04 0.00 0.00 116 H 7.65 4.27 0.00 3.14 3.26 0.00 5.61 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 0.00 117 G 7.90 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 0.00 118 E 7.36 4.67 0.00 1.90 1.74 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 2.18 2.39 0.00 119 P 0.00 4.61 0.00 2.15 2.08 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 120 V 6.88 4.48 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 0.65 0.00 0.00 0.47 0.00 0.00 121 T 8.27 4.48 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 1.26 0.00 0.00 122 S 8.66 4.39 0.00 3.99 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 0.00 123 S 7.47 5.08 0.00 3.87 3.61 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 0.00 124 F 8.82 5.54 0.00 3.08 2.97 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 0.00 125 S 9.11 5.10 0.00 3.93 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 0.00 126 I 8.30 4.45 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.75 0.94 0.00 0.00 127 K 9.77 3.87 0.00 1.73 1.45 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.23 7.81 *132 N 8.70 4.58 0.00 2.53 2.72 0.00 0.00 6.34 7.72 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 0.00 133 I 7.99 4.29 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 1.28 0.63 0.91 0.00 0.00 134 G 8.33 4.45 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 0.00 135 L 9.29 5.26 0.00 1.45 1.46 0.53 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 136 K 9.59 5.04 0.00 1.85 1.74 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.46 7.81 137 C 8.95 4.08 0.00 3.32 3.02 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 0.00 138 K 8.74 3.33 0.00 1.64 1.36 0.00 1.49 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.99 1.19 7.81 139 Y 7.98 4.24 0.00 2.99 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 0.00 140 C 7.96 4.23 0.00 3.19 3.27 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 0.00 141 E 8.13 4.03 0.00 2.21 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 0.00 2.21 2.42 0.00 142 K 7.54 4.36 0.00 1.89 1.48 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.69 1.70 7.81 143 T 7.85 5.15 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 1.23 0.00 0.00 144 F 9.34 4.96 0.00 2.94 2.87 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 0.00 145 S 8.86 4.46 0.00 3.65 3.74 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 0.00 146 K 8.47 3.84 0.00 1.70 1.89 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.32 7.81 147 D 8.07 4.52 0.00 2.67 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 0.00 148 I 7.62 3.64 1.94 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 1.21 0.82 0.96 0.00 0.00 149 V 6.95 3.37 1.65 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 -0.24 0.00 0.00 0.48 0.00 0.00 150 T 7.55 4.12 4.17 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 1.35 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.