NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4758 8.3349 116.7938 58.6067 64.4461 172.9852 0 N 4.7631 8.2947 119.6568 52.8835 41.7256 172.8147 1 A 5.0626 8.9104 121.3929 50.1539 22.6994 174.5475 2 I 4.7633 8.7302 124.0863 59.7326 39.9339 174.6275 3 L 4.7341 8.8264 129.9808 53.7893 43.9434 175.3802 4 V 4.7974 8.6707 126.6272 60.2900 32.5318 171.4251 5 P 5.0586 0.0000 0.0000 61.9653 31.9795 175.4982 6 I 4.6812 9.1548 124.8480 59.5585 41.1222 174.3991 7 D 4.7078 8.8695 126.9553 52.8438 40.5270 176.6658 8 I 4.0020 7.8785 120.5942 62.6642 37.8725 177.3420 9 S 4.2771 8.6336 116.1107 59.6975 63.3378 171.5686 10 D 4.6422 7.9816 122.7183 53.9212 40.0303 177.0009 11 K 4.2537 8.6267 125.2427 58.7909 32.5963 176.0156 12 E 4.7465 7.8541 116.5974 54.1053 31.5670 175.7838 13 F 4.5560 8.6887 125.5389 58.3397 40.4119 176.7676 14 T 4.0391 7.2733 123.9598 62.3649 66.0730 174.7919 15 E 4.0793 8.3204 125.2163 59.5445 29.3344 178.5501 16 R 3.9691 7.8840 117.6256 59.0496 30.0198 178.3888 17 I 3.5973 7.6330 119.9722 64.1901 36.9393 178.1905 18 I 3.3869 7.7503 121.0775 64.4122 36.9422 178.6121 19 S 4.2746 7.9792 114.4612 61.8232 62.8139 176.0273 20 H 4.1659 7.8582 119.5632 58.4504 28.4261 177.9256 21 V 3.6566 8.2560 120.2617 66.1016 31.4579 177.8566 22 E 4.0794 8.5387 118.3802 59.7152 29.1114 179.6893 23 S 4.1529 8.0508 113.8880 61.6605 63.0842 176.2876 24 E 4.1086 8.5324 121.2956 59.3486 29.2704 179.3067 25 A 4.0208 8.2919 120.9123 54.9883 18.2370 179.6855 26 R 4.0656 7.8514 115.3505 58.4595 30.1439 178.8828 27 I 3.9659 7.2976 119.8285 63.7975 37.1730 177.0096 28 D 4.8000 7.5027 115.7783 53.4541 42.3724 175.1580 29 D 4.2886 8.5009 115.2649 54.3712 39.5503 173.0390 30 A 4.2890 7.4763 118.5562 52.4990 19.4600 178.5359 31 E 4.2694 8.9559 119.3446 56.0923 30.9437 176.1227 32 V 4.3605 8.6420 125.2294 61.5336 33.2873 174.8081 33 H 4.7287 8.9144 126.9372 54.0639 30.3021 173.8107 34 F 4.8771 8.7225 123.8609 56.8656 40.4562 174.8111 35 L 5.4114 8.9185 124.7399 53.5523 45.3322 174.8820 36 T 5.1569 8.9244 119.9584 59.2175 70.8089 172.3806 37 V 4.8083 8.3409 127.3001 61.2830 33.6953 175.4601 38 I 4.1169 8.9199 129.4492 59.8068 39.1355 174.3126 39 P 5.1492 0.0000 0.0000 61.8898 28.8795 175.7624 40 S 3.7822 7.5933 113.1041 57.5037 63.0430 173.3769 *57 G 3.8239 8.3670 119.7988 45.5768 0.0000 172.8720 *59 D 4.5642 8.5300 117.4081 54.4039 43.2672 177.4512 60 E 3.9405 8.1160 118.8908 59.2596 29.6019 178.6966 61 L 4.0168 7.9975 119.0734 57.7384 41.6073 179.6700 62 R 3.9081 7.9402 117.5739 59.2256 30.1106 178.5064 63 E 4.0022 8.3249 119.1479 59.2716 29.6707 179.1284 64 G 3.5965 8.2096 105.7486 47.8583 0.0000 175.8632 65 S 4.1427 8.3512 117.9004 61.2480 62.7975 176.3327 66 E 3.9014 8.3314 122.0218 59.5978 29.3843 178.8987 67 T 3.7257 7.8700 115.6090 66.9138 68.5279 176.6382 68 Q 3.9616 8.0790 119.7942 58.7114 28.7044 178.5379 69 L 3.9318 8.1928 121.8041 58.0900 41.9203 179.2453 70 K 3.3715 7.7353 117.6580 58.9364 32.0027 178.6728 71 E 3.9597 8.0395 119.7479 59.2671 29.5787 178.9152 72 I 3.4700 7.6027 119.6304 64.2934 37.1493 178.3013 73 A 3.6505 7.8693 121.1846 54.5140 17.8472 179.5365 74 K 4.0951 7.4772 115.9552 58.7736 32.1436 178.8799 75 K 4.1447 8.1089 117.7649 56.8533 32.3086 176.6298 76 F 4.8193 7.9099 118.8368 56.0274 40.2371 176.6203 77 S 4.6072 9.2570 121.9386 56.8820 60.6824 172.3631 78 I 4.7766 7.5972 123.2621 57.9484 41.3801 173.7311 79 P 4.4263 0.0000 0.0000 62.5730 31.8957 177.3094 80 E 4.0520 8.9474 121.9572 59.6406 29.5031 178.4460 81 D 4.4363 8.0508 116.2919 55.4025 40.4701 177.0515 82 R 4.6740 7.4979 122.0142 54.3467 28.8248 174.9145 *84 H 4.6308 7.5293 115.9898 55.4936 31.1800 173.6698 85 F 5.2775 8.6048 119.1226 56.0717 42.0329 174.3695 86 H 5.0615 9.4474 119.4885 54.0168 32.8624 172.4774 87 V 5.0700 8.6616 121.5844 61.1316 34.1028 174.1694 88 A 5.0658 9.1179 128.3782 50.0053 23.1428 174.1414 89 E 4.9469 8.9767 116.1908 54.5886 32.2595 174.6139 90 G 3.9397 8.7765 108.9021 44.5828 0.0000 174.4746 91 S 4.5468 8.8008 119.8986 57.1275 63.3919 172.5181 92 P 4.2630 0.0000 0.0000 65.6318 31.2302 178.6713 93 K 3.9706 8.0302 117.0419 60.1874 32.3484 178.6694 94 D 4.3018 7.9168 119.7567 57.1230 40.7932 178.9632 95 K 4.0265 8.1749 118.9617 59.1357 31.9635 179.5064 96 I 3.6813 8.1388 120.6372 64.5753 37.1211 178.5136 97 L 3.9591 8.1376 119.5249 57.6065 41.4020 179.5116 98 A 3.9638 8.1740 120.9465 55.0539 18.3099 179.4995 99 L 3.9375 8.3155 120.0147 57.5199 42.1319 178.8131 100 A 3.9243 8.1697 120.9970 55.1201 18.0063 179.5673 101 K 3.9431 7.8347 117.4818 59.3870 32.6726 178.8489 102 S 4.3288 8.0820 114.2323 60.5679 62.9906 176.1294 103 L 3.9393 7.7464 122.5830 56.2703 41.7579 175.7294 104 P 4.6546 0.0000 0.0000 61.5673 32.7757 175.4034 105 A 4.3594 8.3756 123.4853 52.2635 19.1162 177.5059 106 D 4.7225 8.7675 120.7648 55.4615 42.1959 176.8551 107 L 4.7146 7.6190 119.4561 53.7354 45.8921 173.8537 108 V 4.7973 8.6184 125.8275 61.1665 34.0815 174.0673 109 I 5.0696 8.4922 129.0624 59.5519 38.8964 175.1580 110 I 4.7788 8.6959 120.1691 58.8637 41.0007 174.8960 111 A 4.6381 8.6190 126.3197 51.5975 18.9958 177.8012 112 S 4.1216 8.5916 114.8211 61.4780 63.1983 173.9317 113 H 4.7574 7.2415 113.0302 54.3229 30.5180 173.2515 114 R 4.0973 8.2837 118.6133 55.5638 30.3661 176.3954 115 P 4.2605 0.0000 0.0000 65.7052 31.2181 176.8471 116 D 4.6406 8.0124 115.2165 53.2460 40.0184 175.7681 117 I 4.4881 7.5629 121.6624 60.0567 38.4676 175.2698 118 T 4.3657 8.2359 113.9486 61.4675 69.9398 176.1922 119 T 3.6893 7.9264 119.1152 66.0511 68.5336 173.7620 120 Y 4.6733 6.8456 115.6714 55.8098 39.4846 176.0114 121 L 4.2262 8.7599 125.3747 56.7945 42.1287 177.5175 122 L 4.9735 7.7554 117.1539 52.4968 44.8832 176.6047 123 G 3.9186 9.0697 112.9727 44.7815 0.0000 174.7906 124 S 4.0486 8.4169 114.2176 61.4036 62.8271 176.4145 125 N 4.3031 8.0680 119.4196 55.8100 38.3975 176.9529 126 A 3.9641 8.0297 121.5047 55.1993 18.5860 179.3489 127 A 3.9101 8.2449 119.0619 55.3387 18.4376 179.7793 128 A 4.0243 7.9902 119.3343 55.2497 18.4553 180.0928 129 V 3.5233 8.1610 117.1995 66.0197 31.3917 178.3020 130 V 3.5729 7.7111 117.0905 66.1195 31.3989 177.7396 131 R 3.9897 7.7151 116.6227 59.1678 30.1196 177.2865 132 H 4.6173 8.1438 112.8368 54.9785 29.9373 175.4385 133 A 4.1674 7.3466 123.9462 52.3306 18.6848 177.4559 134 E 4.2118 8.6537 119.4136 57.3403 30.1631 175.8983 135 C 4.8136 7.5037 112.9822 55.9658 32.7641 173.5782 136 S 4.4000 8.4262 114.1135 58.7561 63.7667 173.8885 137 V 4.8307 8.1179 121.4934 61.1515 34.4254 174.1413 138 L 4.4948 9.0467 130.7007 53.5803 43.6230 175.1580 139 V 4.5096 8.3199 127.3980 61.7383 32.6009 175.0142 140 V 4.0899 8.6830 129.4035 61.6980 33.1811 176.3018 141 R 4.1582 8.1809 125.2833 56.5188 31.0683 174.8975 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 S 8.33 4.48 0.00 3.86 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 N 8.29 4.76 0.00 2.82 2.81 0.00 0.00 6.72 6.20 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 A 8.91 5.06 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 2 I 8.73 4.76 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.61 0.83 0.00 0.00 3 L 8.83 4.73 0.00 1.65 1.46 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.67 4.80 1.53 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 1.00 0.00 0.00 0.63 0.00 0.00 5 P 0.00 5.06 0.00 2.01 1.99 0.00 3.91 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 2.03 2.11 0.00 6 I 9.15 4.68 2.04 0.00 0.00 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 1.56 1.80 1.18 0.00 0.00 7 D 8.87 4.71 0.00 2.72 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 8 I 7.88 4.00 1.90 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 1.39 0.74 0.95 0.00 0.00 9 S 8.63 4.28 0.00 4.07 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 0.00 10 D 7.98 4.64 0.00 2.94 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 11 K 8.63 4.25 0.00 1.73 1.87 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.50 7.81 12 E 7.85 4.75 0.00 2.01 1.88 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 2.25 2.29 0.00 13 F 8.69 4.56 0.00 2.95 3.13 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 14 T 7.27 4.04 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 1.06 0.00 0.00 15 E 8.32 4.08 0.00 1.97 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 0.00 2.51 2.39 0.00 16 R 7.88 3.97 0.00 1.87 1.91 0.00 3.23 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 17 I 7.63 3.60 1.98 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 1.45 0.61 1.23 0.00 0.00 18 I 7.75 3.39 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.45 0.67 0.00 0.00 19 S 7.98 4.27 0.00 4.00 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 20 H 7.86 4.17 0.00 3.22 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.26 3.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.22 0.00 0.00 22 E 8.54 4.08 0.00 2.26 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 0.00 2.63 2.65 0.00 23 S 8.05 4.15 0.00 3.90 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 0.00 24 E 8.53 4.11 0.00 2.02 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 2.55 2.50 0.00 25 A 8.29 4.02 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 26 R 7.85 4.07 0.00 2.06 2.02 0.00 3.19 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 27 I 7.30 3.97 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.68 0.91 0.00 0.00 28 D 7.50 4.80 0.00 2.77 2.60 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 29 D 8.50 4.29 0.00 2.71 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 30 A 7.48 4.29 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 31 E 8.96 4.27 0.00 1.92 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 2.33 2.41 0.00 32 V 8.64 4.36 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 -0.07 0.00 0.00 0.82 0.00 0.00 33 H 8.91 4.73 0.00 3.05 3.14 0.00 5.66 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.72 4.88 0.00 2.81 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 35 L 8.92 5.41 0.00 1.75 1.49 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.92 5.16 4.34 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 0.00 0.00 0.00 1.27 0.00 0.00 37 V 8.34 4.81 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 0.94 0.00 0.00 0.95 0.00 0.00 38 I 8.92 4.12 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.92 0.00 0.00 39 P 0.00 5.15 0.00 1.94 2.02 0.00 3.77 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 40 S 7.59 3.78 0.00 3.84 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 *57 G 8.37 3.82 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 0.00 0.00 0.00 *59 D 8.53 4.56 0.00 2.75 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 60 E 8.12 3.94 0.00 2.03 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 0.00 2.37 2.39 0.00 61 L 8.00 4.02 0.00 1.75 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.94 3.91 0.00 2.02 1.99 0.00 3.31 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 63 E 8.32 4.00 0.00 2.04 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 0.00 2.28 2.31 0.00 64 G 8.21 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 0.00 0.00 0.00 65 S 8.35 4.14 0.00 4.02 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 66 E 8.33 3.90 0.00 2.13 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 0.00 2.19 2.37 0.00 67 T 7.87 3.73 4.34 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 0.00 0.00 0.00 1.14 0.00 0.00 68 Q 8.08 3.96 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 69 L 8.19 3.93 0.00 1.87 1.83 1.01 1.05 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 70 K 7.74 3.37 0.00 1.54 1.41 0.00 1.42 0.00 0.00 1.21 0.00 0.00 2.46 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.68 7.81 71 E 8.04 3.96 0.00 2.08 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 2.24 2.31 0.00 72 I 7.60 3.47 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 0.54 0.00 0.00 73 A 7.87 3.65 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 74 K 7.48 4.10 0.00 1.81 1.88 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.62 7.81 75 K 8.11 4.14 0.00 1.61 1.69 0.00 1.28 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.37 1.44 7.81 76 F 7.91 4.82 0.00 3.23 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 77 S 9.26 4.61 0.00 3.82 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 78 I 7.60 4.78 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.00 0.95 0.00 0.00 79 P 0.00 4.43 0.00 2.29 1.99 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.14 0.00 80 E 8.95 4.05 0.00 1.98 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 2.28 0.00 81 D 8.05 4.44 0.00 2.78 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 82 R 7.50 4.67 0.00 2.00 2.05 0.00 3.54 0.00 0.00 3.30 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.93 0.00 *84 H 7.53 4.63 0.00 2.87 3.15 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.60 5.28 0.00 2.95 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 86 H 9.45 5.06 0.00 3.26 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.66 5.07 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 0.83 0.00 0.00 0.99 0.00 0.00 88 A 9.12 5.07 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 89 E 8.98 4.95 0.00 1.94 1.90 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 2.16 2.22 0.00 90 G 8.78 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 0.00 0.00 0.00 91 S 8.80 4.55 0.00 3.89 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 92 P 0.00 4.26 0.00 2.20 2.10 0.00 3.65 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 93 K 8.03 3.97 0.00 1.96 2.06 0.00 1.47 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.51 7.81 94 D 7.92 4.30 0.00 2.79 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 95 K 8.17 4.03 0.00 1.79 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.60 1.73 7.81 96 I 8.14 3.68 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.70 0.90 0.00 0.00 97 L 8.14 3.96 0.00 1.67 1.71 0.94 0.87 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 98 A 8.17 3.96 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 99 L 8.32 3.94 0.00 1.73 1.60 0.81 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.17 3.92 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 0.00 101 K 7.83 3.94 0.00 1.86 1.98 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.42 7.81 102 S 8.08 4.33 0.00 4.08 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 0.00 103 L 7.75 3.94 0.00 1.61 1.64 0.65 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.65 0.00 2.14 2.15 0.00 3.72 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 1.93 1.93 0.00 105 A 8.38 4.36 1.24 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 0.00 0.00 106 D 8.77 4.72 0.00 2.61 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 0.00 107 L 7.62 4.71 0.00 1.71 1.42 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.62 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 0.93 0.00 0.00 0.90 0.00 0.00 109 I 8.49 5.07 1.88 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 1.28 0.75 0.94 0.00 0.00 110 I 8.70 4.78 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 1.15 1.43 0.91 0.00 0.00 111 A 8.62 4.64 1.16 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 0.00 0.00 112 S 8.59 4.12 0.00 4.18 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 0.00 113 H 7.24 4.76 0.00 3.24 3.44 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.28 4.10 0.00 1.95 2.11 0.00 3.17 0.00 0.00 3.42 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.66 0.00 115 P 0.00 4.26 0.00 2.18 2.17 0.00 3.78 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 1.99 2.02 0.00 116 D 8.01 4.64 0.00 2.82 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 0.00 117 I 7.56 4.49 1.91 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 1.39 0.72 0.99 0.00 0.00 118 T 8.24 4.37 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 1.20 0.00 0.00 119 T 7.93 3.69 3.42 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 0.55 0.00 0.00 120 Y 6.85 4.67 0.00 2.93 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 0.00 121 L 8.76 4.23 0.00 1.68 1.77 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.76 4.97 0.00 1.62 1.55 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 123 G 9.07 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 0.00 124 S 8.42 4.05 0.00 4.00 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 0.00 125 N 8.07 4.30 0.00 2.83 2.90 0.00 0.00 7.01 7.77 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 0.00 126 A 8.03 3.96 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.24 3.91 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 0.00 128 A 7.99 4.02 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 0.00 0.00 129 V 8.16 3.52 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 0.98 0.00 0.00 0.99 0.00 0.00 130 V 7.71 3.57 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 0.84 0.00 0.00 0.97 0.00 0.00 131 R 7.72 3.99 0.00 1.92 2.03 0.00 3.28 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.57 0.00 132 H 8.14 4.62 0.00 3.28 3.32 0.00 5.72 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 0.00 133 A 7.35 4.17 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 0.00 134 E 8.65 4.21 0.00 1.96 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 2.28 2.28 0.00 135 C 7.50 4.81 0.00 3.08 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 0.00 136 S 8.43 4.40 0.00 3.79 3.81 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 0.00 137 V 8.12 4.83 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 0.77 0.00 0.00 0.97 0.00 0.00 138 L 9.05 4.49 0.00 1.76 1.51 0.90 0.69 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 0.00 139 V 8.32 4.51 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 0.79 0.00 0.00 0.92 0.00 0.00 140 V 8.68 4.09 2.01 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 0.77 0.00 0.00 0.80 0.00 0.00 141 R 8.18 4.16 0.00 1.75 1.71 0.00 3.28 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.