NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 M 4.4408 8.1633 120.3202 54.8261 33.4733 175.9955 16 D 4.2678 8.5717 122.3069 55.9917 40.9814 175.0618 17 R 4.3959 7.8462 112.5791 55.8854 33.3950 173.3137 18 S 4.4645 8.4642 113.9623 57.5676 63.7091 174.2932 19 L 4.3387 8.3367 124.8659 54.2795 41.8868 177.4607 20 R 4.1332 10.6400 123.4634 55.4583 30.7257 176.0658 21 P 4.3100 0.0000 0.0000 66.0712 31.0329 178.9075 22 E 4.0467 8.1475 116.9311 59.3206 29.3183 178.8365 23 E 4.0383 7.9960 117.6646 59.4438 29.8425 179.1207 24 I 3.9450 7.7878 119.3835 64.3002 37.2615 177.5571 25 E 3.9814 7.9041 120.5614 59.5634 29.3843 178.7240 26 E 4.2470 8.1584 116.1122 58.5784 29.7531 178.8358 27 L 4.3143 8.1393 120.8069 57.8343 41.6133 179.3908 28 R 3.8689 8.1447 117.8426 59.1646 30.1155 178.5132 29 E 3.9464 8.3503 118.9899 58.9988 29.6440 178.6921 30 A 4.0592 8.2482 120.9806 55.2480 18.6001 179.3068 31 F 3.2591 8.7399 119.8299 61.2602 39.1900 177.1758 32 R 3.9366 8.3888 118.5880 59.4849 29.5766 178.0909 33 E 4.0470 7.8662 117.8649 58.9744 29.7120 178.1810 34 F 4.1795 8.0002 120.2207 61.0586 39.4533 176.1565 35 D 4.2150 8.2365 119.7116 58.0728 41.0598 178.8919 36 K 3.7849 7.3661 122.0508 59.7048 31.8066 179.7651 *44 C 4.8213 8.0450 116.6696 60.9504 30.1817 176.9132 45 R 4.1248 8.0652 122.9267 62.4127 28.9525 180.1887 46 D 4.5596 8.2052 120.6827 58.3884 39.7975 180.6272 47 L 4.3997 8.0668 120.3718 58.2737 42.1431 179.6831 48 G 3.7023 8.5911 105.7257 48.1164 0.0000 175.4880 49 N 4.4783 8.2682 119.1916 55.7779 38.2494 177.1549 50 C 4.2264 7.9424 119.2835 62.8376 31.9761 174.9371 51 M 4.2379 8.0302 120.0271 59.0148 31.6927 178.9173 52 R 4.3976 8.1050 118.9404 59.1808 30.0307 179.1228 53 T 4.2389 8.0463 114.7842 66.0384 68.4082 175.2890 54 M 4.6506 8.2599 116.9465 54.8003 31.6168 176.5362 55 G 3.9420 8.6442 107.1448 46.0296 0.0000 172.6859 56 Y 4.5627 7.9157 119.9028 55.4583 40.7528 174.1599 57 M 4.4641 7.6707 126.4393 53.0725 32.8796 173.4234 58 P 4.8234 0.0000 0.0000 62.0016 33.2589 176.4541 59 T 4.2771 8.3149 110.8824 61.1366 71.1702 175.5440 60 E 3.9747 8.5231 121.0373 59.3792 29.6857 178.0652 61 M 4.0068 8.0194 117.9093 58.5881 32.2699 177.4252 62 E 4.1222 8.3650 119.4534 59.5425 29.7652 178.8295 63 L 4.0446 7.8473 118.3117 57.7896 41.6809 179.5446 64 I 3.6747 7.8928 119.6085 64.4541 37.0279 178.1319 65 E 3.9554 8.1673 119.0970 59.4992 29.3222 179.2476 66 L 4.0285 8.2542 119.3868 57.9842 41.7601 180.0014 67 S 4.1314 8.0747 113.7958 61.6340 63.0621 176.1703 68 Q 3.9900 8.1051 122.2286 58.6239 28.4978 178.8712 69 Q 3.9125 8.7239 120.7211 59.4046 29.1285 178.1122 70 I 3.7567 8.4345 121.0476 64.8799 36.9881 178.1819 71 N 4.4446 8.4751 116.2915 56.1986 38.4864 176.7175 72 M 4.1197 8.2340 119.1995 59.0985 32.3799 177.6648 73 N 4.6862 8.6649 117.6193 55.5980 38.9315 176.7417 74 L 4.6639 7.5545 116.8744 52.4653 43.4900 180.3414 75 G 3.9682 8.6766 103.9632 46.1550 0.0000 173.5957 76 G 3.8093 8.4633 108.3343 47.8044 0.0000 174.0742 *77 H 5.0123 7.5651 109.3282 53.5077 29.4315 176.6891 78 V 4.0135 8.0888 121.3839 63.1767 32.4573 175.0177 79 D 5.2812 8.4721 126.0337 50.9866 43.5170 176.5646 80 F 3.3306 8.2063 121.4641 61.5604 39.0328 176.8641 81 D 4.0348 7.8511 117.4592 55.8700 39.6245 178.1581 82 D 4.3124 7.6835 119.1486 56.7898 40.7694 178.2937 83 F 3.8856 8.1792 121.4318 61.3238 39.3771 177.4072 84 V 3.4420 7.6196 120.2158 66.4325 30.9783 178.5115 85 E 3.8862 7.6625 117.3669 60.9900 29.6301 181.1251 86 L 4.1982 8.0336 119.4704 57.3425 41.9487 178.6649 87 M 4.0239 8.3541 118.2982 57.9525 32.5184 179.0725 88 G 3.6825 7.6977 104.0248 46.7403 0.0000 173.9614 89 P 4.2007 0.0000 0.0000 64.8052 31.7251 178.7553 90 K 3.6590 7.5796 116.4273 59.1174 31.9307 178.6402 91 L 3.9234 7.7273 120.7028 58.5426 41.7346 179.0624 92 L 4.1986 7.8272 116.0298 56.4882 41.5672 178.0516 93 A 4.5805 7.6502 119.9729 50.8431 19.3052 176.7809 94 E 4.0993 7.6576 119.3669 57.4895 30.1947 177.0397 95 T 4.5542 8.1697 119.2539 61.5422 71.1503 175.2497 96 A 3.9898 8.4266 124.8709 55.6441 17.9199 179.6722 97 D 4.4363 7.9463 115.5588 56.0609 39.7860 178.0555 98 M 4.2078 7.8157 119.9694 58.0552 32.2640 178.2298 99 I 3.9263 7.5972 118.8509 61.9610 37.8085 177.6573 100 G 4.0961 7.6102 103.3626 45.7140 0.0000 174.6547 101 V 3.6828 8.3673 118.3065 65.6909 31.6999 177.8547 102 K 3.8263 8.1841 119.0467 60.0218 31.7705 178.1320 103 E 4.0776 8.2211 117.8484 59.4026 29.4109 179.1700 104 L 4.2449 7.9691 118.8528 57.9758 41.7246 179.6108 105 R 4.1639 8.6541 119.0308 59.3335 29.9906 178.2001 106 D 4.3742 8.4265 118.6132 57.4232 40.8323 178.4806 107 A 4.4488 8.4161 122.7032 54.7737 18.3690 179.3036 108 F 2.7728 8.5762 119.3839 61.1518 39.0882 177.3384 109 R 3.8657 7.8211 117.3693 59.4508 30.2341 178.1424 110 E 4.1262 8.2144 117.8080 58.8753 29.1588 179.3753 111 F 4.1252 7.7401 117.3214 59.5237 40.6628 176.7709 112 D 4.4820 7.7688 120.8380 53.0705 38.4987 176.4214 113 T 3.8619 7.8859 113.8692 63.6906 69.4474 175.8362 114 N 4.5900 8.2222 117.4357 51.6985 37.4651 175.0052 115 G 4.0701 7.9678 105.1709 46.6777 0.0000 174.7305 116 D 4.3676 7.9772 118.5762 54.5481 39.5783 177.3916 117 G 4.2243 9.8154 108.5455 44.9378 0.0000 172.5336 118 E 5.1009 8.4379 118.6136 54.5828 33.3721 174.5589 119 I 4.6595 8.6869 126.7415 59.7106 39.1686 175.9310 120 S 4.9077 9.2633 123.3347 57.5915 64.8078 175.7191 121 T 3.8817 8.6592 110.6514 65.1301 68.2855 176.4649 122 S 4.1442 8.0550 117.0360 61.0291 62.8670 176.1618 123 E 3.8858 7.8765 120.9588 59.0578 29.1528 179.1088 124 L 4.0176 8.1793 120.5294 57.9122 42.1899 178.7977 125 R 3.8567 8.6110 119.1112 59.4834 29.9094 178.3531 126 E 3.8374 8.3324 118.0626 59.3549 29.4412 179.1762 127 A 3.6004 7.9422 120.9349 55.2887 18.1772 179.5042 128 M 3.9209 8.0454 117.2576 58.6073 31.5910 178.8146 129 R 4.4914 8.1369 119.7375 58.6168 29.6105 178.3100 130 A 3.9369 7.5882 119.9745 54.6471 18.6481 179.5284 131 L 3.8232 7.7745 116.3820 57.8303 41.8985 179.2053 132 L 4.3765 8.0031 116.1062 54.5156 41.8827 177.8436 133 G 3.9121 8.5885 106.7450 45.6489 0.0000 172.4782 134 H 4.5808 7.1985 113.6497 54.2374 31.4265 172.5620 135 Q 4.2419 8.5685 121.6075 55.6700 29.1757 175.1033 136 V 4.0010 8.2418 125.7372 61.4683 32.6775 176.3402 137 G 3.9675 8.7468 113.8531 45.4991 0.0000 173.9056 138 H 4.4507 8.8561 119.5833 58.8683 28.7561 178.7798 139 R 3.7885 7.6403 123.0145 61.2901 29.2201 181.6568 140 D 4.5491 8.0285 119.4623 57.2772 40.7789 178.8642 141 I 3.7139 7.5564 119.7631 64.5301 37.0944 178.3636 142 E 3.9589 8.0253 118.8669 59.2028 29.2712 178.8945 143 E 3.9049 8.3484 119.4431 59.4124 29.5805 178.7684 144 I 3.6939 7.9681 119.8484 64.7247 37.1676 178.2761 145 I 3.7266 8.0179 120.5980 64.4554 36.6941 178.4625 146 R 3.8681 7.9479 118.3887 59.7402 30.1150 178.2504 147 D 4.4692 8.1044 116.8818 56.4965 40.7770 177.9351 148 V 4.3507 7.1927 117.4389 62.7048 32.8403 174.8991 149 D 4.5608 8.0439 118.7698 52.9578 40.1179 175.6954 150 L 4.0471 8.0032 127.8668 57.9412 41.6684 178.0563 151 N 4.5856 8.3538 112.9671 52.5364 37.4844 175.7160 152 G 4.0146 7.9099 105.7805 46.9324 0.0000 174.2147 153 D 4.5031 7.8610 115.7115 52.8518 39.4807 177.3452 154 G 3.9017 8.8530 110.1952 46.7147 0.0000 174.1636 155 R 4.9440 7.9192 118.0265 54.7954 33.8635 179.7849 156 V 4.6767 8.6853 119.5334 62.1297 33.4528 175.4093 157 D 5.2056 9.5891 129.0249 52.1856 41.5734 177.1624 158 F 3.1953 8.6886 119.5027 61.3838 39.0058 176.4952 159 E 3.7917 8.1790 118.0203 59.4188 29.5648 178.5255 160 E 4.0234 8.5432 118.3920 58.8026 29.1942 179.2634 161 F 4.0012 7.8605 120.4489 61.3216 39.9479 176.9761 162 V 3.3765 7.5983 118.1817 66.1570 31.2209 178.2148 163 R 3.8585 7.6745 117.5222 59.3049 29.6465 178.6195 164 M 3.9933 7.5851 117.7489 57.9508 32.0857 177.6966 165 M 4.4682 7.4255 116.9640 54.0918 32.7385 175.4224 166 S 5.0038 7.0924 114.3150 56.7857 66.0958 174.6269 167 R 4.1719 8.3252 119.6162 56.5302 30.0182 176.6907 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 M 8.16 4.44 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 16 D 8.57 4.27 0.00 2.73 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 17 R 7.85 4.40 0.00 1.91 1.90 0.00 3.07 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 18 S 8.46 4.46 0.00 3.89 3.83 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 19 L 8.34 4.34 0.00 1.64 1.64 0.88 0.93 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 20 R 10.64 4.13 0.00 1.97 2.01 0.00 3.19 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 21 P 0.00 4.31 0.00 2.17 2.15 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 22 E 8.15 4.05 0.00 2.10 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 2.44 2.49 0.00 23 E 8.00 4.04 0.00 2.22 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 2.39 2.40 0.00 24 I 7.79 3.95 1.95 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 1.60 0.98 1.11 0.00 0.00 25 E 7.90 3.98 0.00 2.24 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 2.34 2.42 0.00 26 E 8.16 4.25 0.00 2.29 2.26 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 2.57 2.55 0.00 27 L 8.14 4.31 0.00 2.18 2.11 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.14 3.87 0.00 2.11 1.91 0.00 3.12 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.43 0.00 29 E 8.35 3.95 0.00 2.10 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 2.37 2.37 0.00 30 A 8.25 4.06 1.67 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 0.00 0.00 31 F 8.74 3.26 0.00 2.43 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 32 R 8.39 3.94 0.00 2.02 2.11 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 33 E 7.87 4.05 0.00 2.13 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 0.00 2.33 2.33 0.00 34 F 8.00 4.18 0.00 3.00 2.78 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 35 D 8.24 4.21 0.00 2.09 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 36 K 7.37 3.78 0.00 1.94 1.74 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.37 7.81 *44 C 8.05 4.82 0.00 3.02 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 45 R 8.07 4.12 0.00 1.81 1.94 0.00 3.26 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 46 D 8.21 4.56 0.00 2.67 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 47 L 8.07 4.40 0.00 1.83 1.94 1.13 1.05 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 48 G 8.59 3.70 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 0.00 0.00 0.00 49 N 8.27 4.48 0.00 3.02 2.93 0.00 0.00 6.70 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 50 C 7.94 4.23 0.00 3.24 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 51 M 8.03 4.24 0.00 2.35 2.45 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.64 0.00 52 R 8.11 4.40 0.00 2.08 2.05 0.00 3.35 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 53 T 8.05 4.24 4.54 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 1.31 0.00 0.00 54 M 8.26 4.65 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.76 0.00 55 G 8.64 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 56 Y 7.92 4.56 0.00 3.07 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 57 M 7.67 4.46 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 58 P 0.00 4.82 0.00 2.33 2.31 0.00 3.81 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 59 T 8.31 4.28 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 1.21 0.00 0.00 60 E 8.52 3.97 0.00 2.11 1.99 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 2.38 2.43 0.00 61 M 8.02 4.01 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.67 0.00 62 E 8.37 4.12 0.00 2.20 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 2.36 2.42 0.00 63 L 7.85 4.04 0.00 2.03 1.74 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.89 3.67 2.04 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 1.10 0.92 0.00 0.00 65 E 8.17 3.96 0.00 2.19 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 0.00 2.34 2.49 0.00 66 L 8.25 4.03 0.00 1.68 1.75 0.89 0.65 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 67 S 8.07 4.13 0.00 4.10 4.16 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 68 Q 8.11 3.99 0.00 2.53 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 69 Q 8.72 3.91 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 70 I 8.43 3.76 2.13 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 1.64 0.35 1.01 0.00 0.00 71 N 8.48 4.44 0.00 2.67 2.89 0.00 0.00 7.00 7.45 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 72 M 8.23 4.12 0.00 1.98 2.38 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 73 N 8.66 4.69 0.00 2.70 2.86 0.00 0.00 6.80 7.88 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 74 L 7.55 4.66 0.00 1.51 1.59 0.92 0.90 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 75 G 8.68 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 0.00 0.00 0.00 76 G 8.46 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 0.00 0.00 0.00 *77 H 7.57 5.01 0.00 2.91 2.88 0.00 7.21 0.00 0.00 0.00 0.00 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.09 4.01 2.55 0.00 0.00 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 1.13 0.00 0.00 79 D 8.47 5.28 0.00 2.91 2.84 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 80 F 8.21 3.33 0.00 2.29 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 81 D 7.85 4.03 0.00 2.87 2.84 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 82 D 7.68 4.31 0.00 3.05 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 83 F 8.18 3.89 0.00 3.11 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 84 V 7.62 3.44 1.77 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 0.76 0.00 0.00 0.24 0.00 0.00 85 E 7.66 3.89 0.00 2.13 1.85 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 2.26 2.22 0.00 86 L 8.03 4.20 0.00 1.47 1.54 0.89 0.91 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 87 M 8.35 4.02 0.00 1.51 1.44 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.72 0.00 88 G 7.70 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 89 P 0.00 4.20 0.00 1.89 2.06 0.00 3.59 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 90 K 7.58 3.66 0.00 1.54 0.74 0.00 1.31 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.87 0.43 7.81 91 L 7.73 3.92 0.00 1.63 1.80 0.95 0.61 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 92 L 7.83 4.20 0.00 1.76 1.70 0.92 0.67 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 93 A 7.65 4.58 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 94 E 7.66 4.10 0.00 2.10 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 2.64 2.74 0.00 95 T 8.17 4.55 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 1.21 0.00 0.00 96 A 8.43 3.99 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 97 D 7.95 4.44 0.00 2.82 2.79 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 0.00 0.00 0.00 0.00 98 M 7.82 4.21 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 99 I 7.60 3.93 2.02 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 1.61 0.73 1.04 0.00 0.00 100 G 7.61 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 0.00 0.00 0.00 101 V 8.37 3.68 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 1.10 0.00 0.00 0.99 0.00 0.00 102 K 8.18 3.83 0.00 1.88 1.86 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.58 7.81 103 E 8.22 4.08 0.00 2.28 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 2.48 2.46 0.00 104 L 7.97 4.24 0.00 2.19 2.07 1.05 1.26 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 0.00 105 R 8.65 4.16 0.00 1.80 2.20 0.00 3.00 0.00 0.00 2.72 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 106 D 8.43 4.37 0.00 3.04 2.79 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 0.00 0.00 0.00 0.00 107 A 8.42 4.45 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 0.00 0.00 0.00 0.00 0.00 108 F 8.58 2.77 0.00 2.78 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 0.00 109 R 7.82 3.87 0.00 2.14 2.19 0.00 3.35 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 110 E 8.21 4.13 0.00 2.36 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 0.00 2.36 2.40 0.00 111 F 7.74 4.13 0.00 2.67 2.90 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 0.00 112 D 7.77 4.48 0.00 2.12 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 0.00 0.00 0.00 0.00 113 T 7.89 3.86 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 1.16 0.00 0.00 114 N 8.22 4.59 0.00 2.79 2.93 0.00 0.00 7.02 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 0.00 115 G 7.97 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 0.00 116 D 7.98 4.37 0.00 2.85 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 0.00 117 G 9.82 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 0.00 0.00 0.00 0.00 118 E 8.44 5.10 0.00 2.01 1.83 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 2.29 2.60 0.00 119 I 8.69 4.66 1.94 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.12 1.03 0.00 0.00 120 S 9.26 4.91 0.00 3.90 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 0.00 121 T 8.66 3.88 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 1.24 0.00 0.00 122 S 8.06 4.14 0.00 4.06 4.16 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 0.00 123 E 7.88 3.89 0.00 2.24 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 0.00 2.29 2.29 0.00 124 L 8.18 4.02 0.00 1.95 1.92 1.22 0.79 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 0.00 125 R 8.61 3.86 0.00 1.91 2.15 0.00 3.26 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 126 E 8.33 3.84 0.00 2.18 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 2.28 2.41 0.00 127 A 7.94 3.60 0.15 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 0.00 0.00 128 M 8.05 3.92 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.87 0.00 129 R 8.14 4.49 0.00 1.89 2.17 0.00 3.14 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.52 0.00 130 A 7.59 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 0.00 131 L 7.77 3.82 0.00 1.62 1.77 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.00 4.38 0.00 1.56 1.63 0.88 1.04 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 0.00 133 G 8.59 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 0.00 134 H 7.20 4.58 0.00 3.08 3.36 0.00 5.27 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.57 4.24 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 136 V 8.24 4.00 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 0.84 0.00 0.00 0.86 0.00 0.00 137 G 8.75 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 0.00 0.00 0.00 138 H 8.86 4.45 0.00 3.36 3.57 0.00 5.47 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.64 3.79 0.00 1.84 1.98 0.00 3.26 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 140 D 8.03 4.55 0.00 2.84 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 0.00 141 I 7.56 3.71 2.02 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 1.75 0.97 0.94 0.00 0.00 142 E 8.03 3.96 0.00 2.15 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 0.00 2.36 2.45 0.00 143 E 8.35 3.90 0.00 2.24 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 2.31 2.36 0.00 144 I 7.97 3.69 2.06 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 1.54 0.77 0.95 0.00 0.00 145 I 8.02 3.73 2.02 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 1.61 0.99 0.94 0.00 0.00 146 R 7.95 3.87 0.00 2.01 2.09 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 147 D 8.10 4.47 0.00 2.83 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 0.00 148 V 7.19 4.35 2.29 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 0.85 0.00 0.00 0.92 0.00 0.00 149 D 8.04 4.56 0.00 2.67 2.78 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 0.00 150 L 8.00 4.05 0.00 1.87 1.66 0.92 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.35 4.59 0.00 2.88 3.05 0.00 0.00 5.94 7.24 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 0.00 152 G 7.91 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 0.00 153 D 7.86 4.50 0.00 2.85 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 0.00 154 G 8.85 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 0.00 0.00 0.00 155 R 7.92 4.94 0.00 1.56 1.65 0.00 3.24 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 156 V 8.69 4.68 2.22 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 1.19 0.00 0.00 1.01 0.00 0.00 157 D 9.59 5.21 0.00 2.83 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 0.00 158 F 8.69 3.20 0.00 2.43 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 0.00 159 E 8.18 3.79 0.00 2.11 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 2.35 2.40 0.00 160 E 8.54 4.02 0.00 2.27 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 0.00 2.45 2.32 0.00 161 F 7.86 4.00 0.00 3.17 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 0.00 162 V 7.60 3.38 1.89 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 0.85 0.00 0.00 0.23 0.00 0.00 163 R 7.67 3.86 0.00 1.99 1.89 0.00 3.16 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 164 M 7.59 3.99 0.00 1.72 2.02 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 165 M 7.43 4.47 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 166 S 7.09 5.00 0.00 3.91 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 0.00 167 R 8.33 4.17 0.00 1.77 1.81 0.00 3.22 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 1.55 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.