NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3335 8.3044 118.1949 55.0916 30.8443 176.8688 2 K 4.5022 8.6161 121.9757 53.8691 33.4617 172.5781 3 K 5.1534 10.3598 130.6433 54.7014 36.0611 174.1410 4 I 5.1565 8.8173 125.9440 59.4211 40.7705 174.1322 5 L 5.1747 9.0101 128.0593 53.2612 44.7668 174.5846 6 L 5.0890 9.3159 129.3798 53.9125 43.7937 174.9227 7 L 5.5117 9.2978 126.5652 53.0702 45.1021 175.1833 8 N 5.3864 9.2127 120.6942 51.6914 42.0006 175.3251 9 G 4.1970 9.0396 113.8065 43.9098 0.0000 171.2474 10 P 4.3296 0.0000 0.0000 64.3540 31.5855 177.2609 11 N 4.4412 9.6094 117.0097 53.7942 38.0114 176.4187 12 L 4.0542 7.4335 118.5337 57.1678 41.7898 178.6298 13 N 4.5046 7.9972 114.5495 54.8690 37.7640 175.4419 14 M 4.2827 8.0640 118.5825 55.4976 32.7123 176.0689 15 L 4.1047 7.6790 120.8288 56.2658 42.0720 178.1218 16 G 4.0094 8.8292 110.5047 46.0028 0.0000 174.0402 17 K 4.2481 7.8697 118.7790 56.8056 32.7824 177.3467 18 R 4.3093 7.7833 116.0926 56.4731 30.9514 176.0396 *25 S 4.4149 7.9078 110.4458 58.7423 64.0747 173.8962 26 Q 4.1269 8.0722 120.9371 56.3664 29.4865 175.9595 27 T 5.0228 8.5863 117.0299 59.0124 72.4515 175.4969 28 L 3.8344 8.1423 121.7938 58.3173 41.9546 178.6079 29 S 4.1673 7.8349 113.8729 60.8009 62.3294 175.6046 30 D 4.2843 7.9372 121.4688 57.4500 40.4913 178.9725 31 I 3.5938 7.4522 119.6455 64.2699 36.7072 178.2651 32 E 3.6094 8.0813 119.6704 59.4833 29.1756 179.5704 33 Q 3.8951 7.9687 118.0780 59.0344 28.6936 178.2475 34 H 4.0579 8.1816 119.2201 59.2799 29.8422 177.0860 35 L 3.8153 8.0709 122.3381 58.0955 41.9155 178.6747 36 Q 3.9943 8.1608 119.5823 59.3336 28.9325 178.2816 37 Q 4.0307 8.2798 119.2430 58.7621 28.8554 178.5196 38 S 4.0147 8.2382 114.2020 61.2756 62.4439 176.0658 39 A 4.0633 8.2976 123.8189 55.2313 18.1181 179.3591 40 Q 4.1648 8.5374 119.1810 58.8429 28.9224 178.4072 41 A 4.0491 8.1189 120.8760 54.8196 18.4779 178.6486 42 Q 4.4190 7.7725 113.6372 55.9732 29.0422 176.6495 43 G 3.8019 8.3357 108.4740 45.3620 0.0000 172.8268 44 Y 4.6856 8.4744 116.5168 55.6497 42.1582 174.2039 45 E 4.7369 8.3891 123.5068 55.1174 31.1716 174.4650 46 L 5.2965 8.6533 128.8138 53.5200 44.5850 175.1140 47 D 5.2287 9.2710 126.3018 53.0554 43.6757 174.8833 48 Y 5.4945 7.7452 117.3577 55.9795 41.6200 174.0110 49 F 4.9384 9.0171 120.6908 57.5493 43.4273 172.5661 50 Q 5.3661 7.6377 124.2751 53.9386 32.0667 173.3922 51 A 4.4292 8.2663 124.7920 51.1407 22.2495 175.5957 52 N 4.7749 8.7903 115.5711 52.9979 39.3712 175.8195 53 G 4.5127 7.6922 104.4240 42.1523 0.0000 173.7523 54 E 3.8185 8.6018 121.1048 58.9831 29.4352 179.2766 55 E 3.8522 8.1084 118.8379 59.4883 29.8646 178.8729 56 S 4.1994 8.1070 114.5220 61.6796 63.0093 176.6538 57 L 4.2087 7.9912 121.1852 57.9764 41.3439 179.6453 58 I 3.6006 8.2434 120.0980 64.3892 37.0083 178.2738 59 N 4.2028 8.3892 117.7129 56.2459 38.0984 177.4852 60 R 4.0093 7.3866 120.3805 58.6945 30.3849 178.3738 61 I 3.8439 7.6609 119.7778 64.6683 37.1421 178.1032 62 H 4.2861 8.3536 117.2977 59.0352 28.3866 177.9353 63 Q 4.0837 8.2949 119.4727 58.5281 28.4948 178.1887 64 A 4.4081 7.7992 122.0757 51.9356 18.7518 177.0848 65 F 4.3783 7.5854 120.6886 60.1008 39.6492 175.9742 66 Q 3.4559 8.5227 125.0962 56.0645 26.5478 173.3693 67 N 4.9478 7.7477 112.9597 51.9214 38.9093 173.9775 68 T 4.6767 7.8748 115.8524 62.0318 70.6148 173.6781 69 D 4.8863 8.8866 125.1346 55.1409 42.2655 176.3952 70 F 4.8778 7.9528 119.2303 57.0336 43.1590 172.6116 71 I 5.2141 8.3504 124.9568 59.6284 40.9370 174.3791 72 I 5.1762 8.9941 127.0756 59.6813 39.7441 174.4630 73 I 5.1448 9.1355 127.4185 59.2428 41.6634 173.4327 74 N 5.4228 9.1507 128.2475 50.6263 40.1810 173.0599 75 P 4.5812 0.0000 0.0000 62.4703 32.9719 178.1388 76 G 3.6844 8.4841 108.0685 46.0858 0.0000 176.1809 77 A 4.1612 8.3646 121.9733 55.0138 18.7215 179.4367 78 F 4.9750 7.7380 113.3415 59.6446 39.3724 177.6397 79 T 3.9546 8.1559 118.3620 66.6644 68.2786 175.5369 80 H 4.9961 8.0606 116.3722 56.5722 29.0461 175.8639 81 T 4.6863 7.9446 107.7600 61.4643 70.6107 173.1579 82 S 4.4117 8.3637 117.9466 56.7893 61.0732 174.2311 83 V 3.2932 7.5762 126.7320 65.0234 31.3607 177.1359 84 A 3.8674 7.6729 120.4124 55.1853 18.2342 179.5241 85 I 3.6092 7.7655 118.3457 64.0831 37.1462 178.4826 86 R 3.8392 7.6542 119.7465 59.8179 29.9340 178.4627 87 D 4.3822 8.3732 118.3338 56.9456 40.7419 178.7849 88 A 3.9644 7.8113 121.7141 55.1141 18.1036 179.6620 89 L 3.8986 7.9368 117.5804 57.9129 41.4699 179.8248 90 L 4.0661 8.1189 118.7829 57.6523 41.3190 179.3755 91 A 3.9375 8.0184 120.1191 54.7810 18.4013 179.3111 92 V 3.8279 7.5729 107.9988 60.8893 32.4653 176.1636 93 S 3.7788 7.6015 113.9874 59.7943 60.8118 172.3675 94 I 4.4688 7.1471 120.0620 58.5188 39.0737 174.5879 95 P 4.5348 0.0000 0.0000 63.0428 32.5205 175.1650 96 F 5.6577 7.7958 114.6861 55.3258 41.8378 172.6879 97 I 4.8696 8.6338 119.9098 59.5614 40.3654 174.0599 98 E 4.9736 8.9383 127.9828 55.2494 31.1310 174.9581 99 V 4.8011 8.7980 126.4561 61.4029 35.3522 173.8343 100 H 4.9459 8.7628 123.0054 54.1526 32.5190 174.3419 101 L 4.0518 8.8597 123.4309 57.6633 42.4824 177.8686 102 S 4.6042 7.9058 111.1787 56.8515 64.7863 173.4298 103 N 4.5890 8.3092 119.5930 52.3875 37.8284 175.7745 104 V 3.6127 8.1554 120.6556 64.5338 31.8441 178.4378 105 H 4.0875 8.0475 115.3179 57.5021 28.6071 175.7824 106 A 4.5142 7.8263 121.0267 51.9741 19.4843 177.3978 107 R 4.7481 7.1054 116.8747 54.9419 32.1706 175.9048 108 E 3.9360 8.1799 118.6592 56.6764 30.2940 176.0438 109 P 3.5821 0.0000 0.0000 65.5721 30.8623 178.8813 110 F 4.3534 7.7789 112.3349 59.0982 37.6658 176.5446 111 R 3.6222 6.8779 116.9589 56.8005 30.2060 176.6312 112 H 4.4930 7.9329 115.8203 56.9101 29.2537 174.5992 113 H 4.8627 7.5296 119.3324 54.0759 31.4885 173.4162 114 S 4.8551 7.8358 119.4141 56.9433 65.1280 172.9994 115 Y 4.6276 8.9728 123.9762 58.2514 38.2428 176.0330 116 L 4.8526 8.2315 120.9072 55.8878 44.4426 178.7740 117 S 4.2107 8.4837 114.7268 61.7394 62.7690 176.4040 118 D 4.4341 8.1578 117.2018 55.4035 39.2545 177.0493 119 V 4.1947 7.6228 110.9283 60.8312 32.4477 175.7087 120 A 2.8774 7.2085 123.1814 50.8002 19.1519 177.8370 121 K 3.9904 8.2290 122.5445 59.4648 32.9719 176.9046 122 G 4.0193 7.3022 104.4825 45.5021 0.0000 172.1378 123 V 5.1082 8.1026 118.7750 61.0430 34.9828 174.4175 124 I 4.7297 8.8168 127.7881 59.5728 40.2731 174.1931 125 C 5.1684 8.7096 121.4393 57.6856 32.1187 174.6052 126 G 3.9517 9.1474 110.7871 45.5515 0.0000 173.4834 127 L 4.5523 7.7810 117.9600 53.7761 42.7004 178.5540 128 G 3.7487 8.0442 108.6166 46.0201 0.0000 175.2351 129 A 4.3010 8.5635 118.9063 55.2853 18.3495 179.9273 130 K 4.3071 7.5713 118.0540 58.7783 31.9845 179.2236 131 G 3.6536 7.9471 106.2244 48.1492 0.0000 175.3210 132 Y 4.1802 7.9689 118.7649 60.8604 37.8456 178.1545 133 D 4.3672 7.8539 119.4600 57.6010 40.9462 178.2922 134 Y 4.4198 7.5373 117.0049 61.1118 37.7917 178.3608 135 A 4.0953 8.1935 121.8101 55.0803 18.4495 179.4751 136 L 3.8796 8.2667 119.0167 58.2041 42.1689 178.6396 137 D 4.2665 8.3330 118.1037 57.3446 41.2173 178.0694 138 F 3.8335 8.6934 122.2561 60.4866 39.3915 176.7336 139 A 2.5800 8.0264 120.6903 54.9556 18.0534 179.6801 140 I 2.9925 7.4769 118.3496 64.2069 37.1737 178.8159 141 S 3.9501 7.5807 115.1124 61.4266 62.7261 176.5248 142 E 3.9159 7.7246 122.0916 59.0642 29.1148 179.3132 143 L 4.0871 7.8706 119.0685 57.6764 41.6181 179.5473 144 Q 4.0757 8.1416 118.2159 58.9986 28.5937 179.0055 145 K 4.0127 7.7724 119.5320 59.3630 32.0347 179.5454 146 I 3.7159 7.6525 119.9912 64.4964 36.9888 178.3852 147 Q 4.1951 8.4136 119.1943 59.2024 28.3474 179.1564 148 L 4.1546 7.9028 118.8781 57.6523 41.7052 179.5030 149 G 3.7416 8.1504 105.5145 47.4176 0.0000 175.1190 150 E 4.2232 8.0905 118.5588 58.3958 29.9787 178.3959 151 M 4.0423 7.5460 121.3008 59.3364 32.4809 176.2942 *152 M 4.2790 7.8433 119.6261 54.6806 32.3378 177.0706 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 M 8.30 4.33 0.00 2.12 1.62 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 2 K 8.62 4.50 0.00 2.08 1.99 0.00 1.64 0.00 0.00 2.19 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.73 7.81 3 K 10.36 5.15 0.00 1.88 1.80 0.00 1.89 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.68 7.81 4 I 8.82 5.16 1.97 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 1.06 0.00 0.00 5 L 9.01 5.17 0.00 1.80 1.58 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.32 5.09 0.00 1.88 1.82 1.04 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.30 5.51 0.00 1.67 1.64 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 N 9.21 5.39 0.00 2.62 2.69 0.00 0.00 6.55 7.14 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 9 G 9.04 4.20 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 0.00 10 P 0.00 4.33 0.00 1.89 1.79 0.00 3.67 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.44 0.00 11 N 9.61 4.44 0.00 2.87 2.99 0.00 0.00 6.91 6.32 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 12 L 7.43 4.05 0.00 1.78 1.71 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.00 4.50 0.00 2.79 3.08 0.00 0.00 6.06 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 14 M 8.06 4.28 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 15 L 7.68 4.10 0.00 1.72 1.60 0.96 0.68 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 16 G 8.83 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 17 K 7.87 4.25 0.00 1.87 1.86 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.49 7.81 18 R 7.78 4.31 0.00 1.74 1.90 0.00 3.26 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 *25 S 7.91 4.41 0.00 3.88 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 26 Q 8.07 4.13 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 27 T 8.59 5.02 4.20 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 1.18 0.00 0.00 28 L 8.14 3.83 0.00 1.90 1.64 0.81 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.83 4.17 0.00 3.86 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 30 D 7.94 4.28 0.00 2.88 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 31 I 7.45 3.59 1.77 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 1.51 0.73 0.37 0.00 0.00 32 E 8.08 3.61 0.00 1.46 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 1.97 2.23 0.00 33 Q 7.97 3.90 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 34 H 8.18 4.06 0.00 3.23 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.07 3.82 0.00 1.88 1.59 1.02 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.16 3.99 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.69 0.00 37 Q 8.28 4.03 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 38 S 8.24 4.01 0.00 3.77 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 39 A 8.30 4.06 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.54 4.16 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 41 A 8.12 4.05 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 42 Q 7.77 4.42 0.00 2.35 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.98 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 43 G 8.34 3.80 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 0.00 0.00 0.00 44 Y 8.47 4.69 0.00 2.86 2.88 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 45 E 8.39 4.74 0.00 2.16 1.87 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 2.30 2.29 0.00 46 L 8.65 5.30 0.00 1.75 1.59 1.00 1.38 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 47 D 9.27 5.23 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.75 5.49 0.00 2.94 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 49 F 9.02 4.94 0.00 3.12 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 50 Q 7.64 5.37 0.00 1.96 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.51 0.00 0.00 0.00 0.00 0.00 2.28 2.08 0.00 51 A 8.27 4.43 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 52 N 8.79 4.77 0.00 2.72 2.81 0.00 0.00 6.64 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 53 G 7.69 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 3.82 0.00 1.82 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 1.59 1.47 0.00 55 E 8.11 3.85 0.00 2.01 1.96 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 2.37 2.39 0.00 56 S 8.11 4.20 0.00 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 0.00 57 L 7.99 4.21 0.00 1.81 1.81 1.29 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.24 3.60 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.66 0.62 0.00 0.00 59 N 8.39 4.20 0.00 2.83 2.78 0.00 0.00 6.67 7.79 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 60 R 7.39 4.01 0.00 0.89 1.81 0.00 2.97 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.36 0.00 61 I 7.66 3.84 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.88 0.88 0.00 0.00 62 H 8.35 4.29 0.00 3.28 3.28 0.00 5.64 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 63 Q 8.29 4.08 0.00 2.19 2.11 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 2.35 2.66 0.00 64 A 7.80 4.41 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.59 4.38 0.00 3.05 3.11 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 66 Q 8.52 3.46 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.61 0.00 0.00 0.00 0.00 0.00 1.34 1.16 0.00 67 N 7.75 4.95 0.00 3.01 2.96 0.00 0.00 6.75 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 68 T 7.87 4.68 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 69 D 8.89 4.89 0.00 2.65 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 70 F 7.95 4.88 0.00 3.13 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 71 I 8.35 5.21 1.93 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 1.30 0.94 1.01 0.00 0.00 72 I 8.99 5.18 2.09 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.06 1.16 0.00 0.00 73 I 9.14 5.14 1.92 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 1.25 1.99 0.97 0.00 0.00 74 N 9.15 5.42 0.00 2.88 3.06 0.00 0.00 7.10 8.16 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 75 P 0.00 4.58 0.00 2.42 2.18 0.00 3.85 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 76 G 8.48 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 0.00 0.00 0.00 77 A 8.36 4.16 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 78 F 7.74 4.97 0.00 3.30 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 79 T 8.16 3.95 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 1.37 0.00 0.00 80 H 8.06 5.00 0.00 3.37 3.51 0.00 5.59 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.94 4.69 4.36 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 1.36 0.00 0.00 82 S 8.36 4.41 0.00 3.57 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 83 V 7.58 3.29 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 0.91 0.00 0.00 -0.06 0.00 0.00 84 A 7.67 3.87 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 85 I 7.77 3.61 1.80 0.00 0.00 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 1.32 0.42 0.84 0.00 0.00 86 R 7.65 3.84 0.00 1.98 2.13 0.00 3.32 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 87 D 8.37 4.38 0.00 2.78 2.66 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 88 A 7.81 3.96 1.31 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 0.00 0.00 89 L 7.94 3.90 0.00 1.68 1.51 0.03 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.12 4.07 0.00 1.85 1.73 0.96 0.70 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 91 A 8.02 3.94 1.27 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 0.00 0.00 92 V 7.57 3.83 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 0.85 0.00 0.00 1.08 0.00 0.00 93 S 7.60 3.78 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.15 4.47 1.91 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 1.42 0.88 0.92 0.00 0.00 95 P 0.00 4.53 0.00 1.74 2.11 0.00 3.73 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 1.73 2.01 0.00 96 F 7.80 5.66 0.00 3.14 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 97 I 8.63 4.87 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.19 0.98 0.00 0.00 98 E 8.94 4.97 0.00 2.26 1.86 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 2.19 2.31 0.00 99 V 8.80 4.80 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 0.22 0.00 0.00 0.83 0.00 0.00 100 H 8.76 4.95 0.00 3.05 3.08 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.86 4.05 0.00 1.63 1.73 1.00 1.12 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 0.00 102 S 7.91 4.60 0.00 3.96 3.86 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 0.00 103 N 8.31 4.59 0.00 2.74 2.76 0.00 0.00 6.88 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 0.00 104 V 8.16 3.61 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 0.71 0.00 0.00 0.61 0.00 0.00 105 H 8.05 4.09 0.00 3.25 3.22 0.00 5.64 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 0.00 106 A 7.83 4.51 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 0.00 107 R 7.11 4.75 0.00 1.59 1.71 0.00 3.13 0.00 0.00 3.15 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 108 E 8.18 3.94 0.00 1.16 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 2.37 2.28 0.00 109 P 0.00 3.58 0.00 2.09 2.01 0.00 3.49 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 2.06 2.06 0.00 110 F 7.78 4.35 0.00 3.20 3.29 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 0.00 111 R 6.88 3.62 0.00 1.61 1.79 0.00 2.89 0.00 0.00 3.13 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.00 112 H 7.93 4.49 0.00 3.21 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.53 4.86 0.00 2.99 3.13 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.84 4.86 0.00 3.82 3.63 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 0.00 115 Y 8.97 4.63 0.00 3.09 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 0.00 116 L 8.23 4.85 0.00 1.99 2.00 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.48 4.21 0.00 3.88 3.94 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 0.00 118 D 8.16 4.43 0.00 2.79 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 0.00 119 V 7.62 4.19 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 0.77 0.00 0.00 1.22 0.00 0.00 120 A 7.21 2.88 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 0.00 121 K 8.23 3.99 0.00 1.65 1.92 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.57 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.79 1.35 7.81 122 G 7.30 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 0.00 0.00 0.00 123 V 8.10 5.11 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 0.89 0.00 0.00 0.96 0.00 0.00 124 I 8.82 4.73 1.84 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 1.29 0.86 0.98 0.00 0.00 125 C 8.71 5.17 0.00 2.92 2.88 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 0.00 126 G 9.15 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 0.00 127 L 7.78 4.55 0.00 1.71 1.79 1.10 0.96 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 0.00 128 G 8.04 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 0.00 129 A 8.56 4.30 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 0.00 130 K 7.57 4.31 0.00 1.88 1.35 0.00 1.98 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.29 7.81 131 G 7.95 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 0.00 0.00 0.00 132 Y 7.97 4.18 0.00 3.13 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 0.00 133 D 7.85 4.37 0.00 2.46 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 0.00 134 Y 7.54 4.42 0.00 3.18 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 0.00 135 A 8.19 4.10 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 0.00 136 L 8.27 3.88 0.00 1.89 1.90 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.33 4.27 0.00 2.83 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 0.00 138 F 8.69 3.83 0.00 3.20 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 0.00 139 A 8.03 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.48 2.99 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.38 0.55 0.00 0.00 141 S 7.58 3.95 0.00 3.79 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 0.00 142 E 7.72 3.92 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 1.87 2.67 0.00 143 L 7.87 4.09 0.00 1.65 1.82 0.92 0.97 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 0.00 144 Q 8.14 4.08 0.00 2.24 2.16 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 2.50 2.62 0.00 145 K 7.77 4.01 0.00 1.90 1.85 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.60 7.81 146 I 7.65 3.72 2.08 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 1.57 0.97 0.95 0.00 0.00 147 Q 8.41 4.20 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.78 0.00 148 L 7.90 4.15 0.00 1.78 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.15 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 0.00 0.00 0.00 150 E 8.09 4.22 0.00 2.16 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 0.00 2.55 2.31 0.00 151 M 7.55 4.04 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 *152 M 7.84 4.28 0.00 1.82 1.86 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.