NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4574 8.2649 122.4692 50.8992 19.9168 176.7469 3 P 4.2910 0.0000 0.0000 61.9888 32.0264 175.1308 4 K 4.2696 8.7469 123.1951 59.5277 33.6302 177.0338 5 A 4.7226 7.8289 119.0402 50.5502 23.0652 175.2149 6 V 4.7974 8.5923 120.2778 61.0916 34.3812 174.2464 7 L 5.2965 8.4995 127.4028 53.3546 43.7394 176.0653 8 V 4.5481 9.4778 115.5576 59.2912 36.4766 175.3581 9 G 3.7090 8.4815 108.9822 43.0778 0.0000 172.7497 10 L 4.2092 7.5752 119.9396 53.3105 42.1779 175.2390 11 P 4.3752 0.0000 0.0000 64.8274 31.1655 176.9955 12 G 4.0524 8.9991 109.9651 45.5068 0.0000 174.4620 13 S 4.1069 7.7199 113.5541 59.8634 63.2891 175.3840 14 G 4.1215 8.7572 109.3975 45.2633 0.0000 175.0423 15 K 3.8595 8.5368 120.4412 59.7028 32.2854 179.3692 16 S 4.1949 8.0772 113.9529 61.8200 62.9050 176.9569 17 T 3.8673 7.9932 116.7756 66.8225 68.3787 176.8702 18 I 3.8655 7.9960 121.8747 64.1681 37.1499 178.8557 19 G 3.5744 7.9253 106.5803 47.7222 0.0000 175.3339 20 R 3.8965 7.7125 121.3818 59.4437 29.4946 178.6465 21 R 3.9210 7.6398 116.4394 59.1642 29.9624 178.8810 22 L 3.9591 8.1208 119.8853 58.0122 42.0921 178.7819 23 A 3.9854 7.9345 120.5319 55.1475 18.3727 179.4269 24 K 3.7840 7.8796 116.3284 59.9735 31.9710 179.3632 25 A 4.0538 7.5295 118.4242 54.7186 18.3874 178.9252 26 L 4.3068 7.7176 115.3533 54.7220 42.0253 177.5422 27 G 3.8493 7.6428 106.1814 46.2343 0.0000 173.1771 28 V 4.5530 7.6632 111.6142 58.9338 35.9092 175.4567 29 G 4.0259 8.5184 108.1633 45.7796 0.0000 172.2563 30 L 5.1527 8.3626 122.6260 53.0415 44.0851 175.1154 31 L 4.5901 8.4210 127.6411 53.2637 44.7704 174.3003 32 D 5.0795 8.5869 126.5814 52.6461 42.5542 176.2828 33 T 3.9135 8.5507 118.6343 65.1924 68.4920 175.8988 34 D 4.4395 8.1410 121.6217 57.1783 40.7388 178.7055 35 V 3.6291 7.8546 117.9955 65.9833 31.6463 177.4964 36 A 3.9912 7.9265 120.3757 55.3961 18.2599 179.4143 37 I 3.6518 7.6484 117.8414 64.8653 37.0024 178.5251 38 E 4.2829 7.5177 118.3704 58.9772 29.3550 179.0533 39 Q 4.1610 7.6729 117.1121 59.0379 28.8443 178.9453 40 R 4.1181 7.7339 117.9644 59.3314 30.5742 177.2532 41 T 4.3545 7.5405 106.7195 60.4873 70.5649 174.3692 42 G 3.7066 8.5801 109.4066 47.3246 0.0000 173.0041 43 R 4.7280 7.3860 114.2989 53.7094 32.3707 174.9861 44 S 4.5845 8.2247 113.3835 58.0712 65.0812 175.6161 45 I 3.8681 8.3365 123.4249 64.7018 37.0865 178.6693 46 A 4.0211 7.9608 121.1063 55.1034 18.1735 179.2438 47 D 4.3592 8.1119 117.0847 57.5984 40.9901 178.8910 48 I 3.7484 7.6296 120.2877 64.4423 36.7144 178.3330 49 F 3.9050 8.2702 117.9808 60.6268 38.4997 177.7260 50 A 4.0747 7.8278 118.6666 55.4537 18.3444 179.5445 51 T 4.0749 7.8432 113.1730 66.0319 68.7354 175.5401 52 D 4.6809 8.4079 118.4313 53.3515 43.1965 177.7407 53 G 3.9628 7.7362 103.5757 45.2310 0.0000 173.8401 54 E 3.1405 8.5179 120.0581 59.1256 29.6119 179.1598 55 Q 3.9625 7.9408 118.9065 58.9943 29.2648 177.5733 56 E 4.0106 8.0373 119.9710 58.4870 29.7844 177.9784 57 F 4.1237 7.7270 121.1102 61.5615 39.3623 177.3989 58 R 3.8244 8.0527 117.3596 59.0538 29.4374 179.1451 59 R 3.7828 7.5156 117.7016 59.3968 30.0434 178.4665 60 I 3.6430 7.1237 118.3303 64.3158 37.0747 177.8976 61 E 3.6374 7.5830 119.7852 59.1687 29.3009 178.1460 62 E 3.8333 7.8542 119.2429 59.5385 29.1440 178.4434 63 D 4.2295 7.6407 116.3409 57.2438 41.4072 177.9790 64 V 3.5833 7.4271 118.5488 66.1641 31.5285 178.1048 65 V 3.5225 7.6819 117.4486 66.1501 31.4272 177.9316 66 R 3.9051 7.8564 117.3906 59.4518 30.0227 178.9183 67 A 3.9834 7.7146 118.8562 54.9911 18.4580 179.5502 68 A 3.9336 7.8763 118.8042 55.4132 18.2935 179.9084 69 L 3.9441 7.6481 115.4344 57.4742 41.6312 179.1660 70 A 4.2773 7.4383 119.4205 54.3487 19.0531 178.4948 71 D 4.7266 7.9416 114.7764 53.8182 41.6168 175.9566 72 H 4.7966 7.6274 119.2002 54.6545 30.8232 173.5785 73 D 4.9826 8.5933 125.6764 54.3719 42.4311 176.9138 74 G 4.2266 6.6607 111.4936 46.2664 0.0000 175.3138 75 V 4.7344 8.8450 126.1051 60.7921 33.8037 173.3201 76 L 5.1392 8.5141 129.1489 53.4336 44.8880 174.8400 77 S 5.0517 8.7080 122.7316 56.8609 64.8567 173.4785 78 L 4.5979 8.2760 125.9134 53.4070 42.5622 177.4884 79 G 3.9857 8.4565 110.8735 45.7352 0.0000 174.9045 80 G 3.6736 8.8974 109.9340 47.7435 0.0000 174.7596 81 G 4.0658 8.1097 106.7434 45.0877 0.0000 175.0703 82 A 4.1996 7.9359 126.0282 55.0247 18.4258 180.9232 83 V 3.7534 7.7679 107.7597 63.6700 31.6648 177.2961 84 T 3.9901 7.4868 109.2747 63.4438 69.1438 175.5268 85 S 4.3789 7.7446 120.0495 57.3445 63.7761 173.2930 86 P 4.3563 0.0000 0.0000 65.4282 31.0222 178.9611 87 G 3.8318 8.0089 105.6042 46.9008 0.0000 175.9311 88 V 3.5917 7.6789 120.1091 66.1064 31.4886 178.1484 89 R 3.9568 7.5241 116.3649 59.2289 29.9480 178.6481 90 A 4.1271 7.9003 120.5355 54.9489 18.2218 179.4798 91 A 4.0809 7.6153 118.4839 55.1409 18.7241 179.3877 92 L 4.1668 7.7384 115.9066 55.8818 41.8359 177.2484 93 A 4.1905 6.9998 120.9312 53.7121 18.7126 176.6606 94 G 4.0828 8.9726 110.8245 45.8372 0.0000 173.8540 95 H 4.3914 7.5808 115.1846 55.6480 29.5057 175.2091 96 T 4.2814 8.3674 118.2592 63.2360 69.4895 174.1096 97 V 4.5867 8.4244 127.6655 61.0769 34.5002 174.4260 98 V 4.5146 8.5393 129.2260 61.5623 33.2462 174.1595 99 Y 4.8402 8.6108 130.5582 56.7985 39.5833 174.3999 100 L 4.4917 8.2699 128.7975 54.1949 42.3814 176.6067 101 E 4.2285 8.2961 124.3031 55.2484 31.2739 175.5487 102 I 4.9225 7.9585 122.7788 59.1567 41.5288 174.8202 103 S 4.3439 8.7573 123.3098 58.0271 63.7790 175.2528 104 A 4.1118 8.6597 123.1090 55.2715 17.9232 180.0482 105 A 3.8480 7.8591 118.9390 55.1772 18.5476 179.3721 106 E 3.9935 7.8425 116.9425 59.1529 29.3801 179.1125 107 G 3.6296 8.0731 107.1069 47.1861 0.0000 176.0120 108 V 3.2522 6.5394 120.1642 64.3287 31.2783 178.3416 109 R 3.9877 7.4964 117.3045 59.0247 29.6298 179.2359 110 R 4.0498 7.8920 117.4213 59.0312 30.1180 178.2475 111 T 4.3827 7.3840 106.5930 62.1548 69.1193 175.9465 112 G 3.6709 7.6955 110.6076 48.2613 0.0000 174.3856 113 G 3.6742 7.7023 109.0670 49.2562 0.0000 175.5926 114 N 3.7393 7.9253 113.6744 55.6425 36.4557 173.8721 *115 T 4.2455 7.9433 120.2070 60.4218 70.2606 173.1175 116 V 3.9176 9.0295 112.2903 59.7530 27.0601 170.4120 117 R 3.6089 8.6652 128.3829 55.7031 27.2238 174.8771 118 P 3.9461 0.0000 0.0000 65.1536 31.6379 177.3376 119 L 4.2881 7.4692 114.9879 55.2121 42.0352 176.8475 120 L 4.5796 7.8537 117.1723 54.0427 42.8530 176.6740 121 A 4.0713 7.6657 122.3438 53.2332 19.4143 177.5631 122 G 3.8412 8.7151 106.3358 43.7133 0.0000 170.9964 123 P 4.5931 0.0000 0.0000 61.9534 33.7061 174.4352 124 D 4.4183 8.4731 114.5784 55.8276 38.1964 176.5437 125 R 3.9264 7.9871 119.6696 59.2958 30.3816 178.2684 126 A 3.9843 8.0075 120.0975 55.1728 18.2371 178.9180 127 E 3.9141 8.2190 117.1332 59.6253 29.6070 179.0873 128 K 3.9931 7.9245 117.8617 59.4982 31.6987 178.6260 129 Y 3.9523 8.1053 119.8071 60.9535 38.6091 178.5732 130 R 4.0555 8.0374 118.7734 59.1466 29.5855 178.9750 131 A 4.0096 7.8951 120.8664 55.0102 18.4195 179.4143 132 L 3.8932 7.6690 117.3794 58.2207 41.7570 179.4960 133 M 3.9918 7.8284 117.1002 58.6360 32.0091 177.9506 134 A 4.0357 7.4927 119.8363 55.2082 18.6400 179.4331 135 K 4.0700 7.5829 114.8918 59.5876 33.0987 179.0232 136 R 3.9369 7.9677 118.4544 57.8268 30.3197 178.4549 137 A 4.1931 7.8294 120.6059 54.7745 18.1913 177.6971 138 P 4.2121 0.0000 0.0000 65.6343 31.0872 178.7442 139 L 3.8671 7.6217 117.1368 57.9622 41.7535 178.7565 140 Y 3.9896 6.8479 116.1718 61.2980 37.4470 179.2627 141 R 4.0675 7.4751 116.9803 59.1134 30.1842 178.8920 142 R 4.0259 7.4541 117.7689 59.5649 30.2676 178.8268 143 V 3.7421 7.3199 109.8471 62.5290 31.9599 176.6673 144 A 4.3003 7.1182 121.3128 52.2622 18.8230 177.1810 145 T 4.5257 8.3126 111.1771 62.2605 70.8242 174.6291 146 M 4.8504 7.9354 122.0241 53.8887 35.8565 173.5202 147 R 5.1324 8.7853 124.4762 54.3807 33.0857 175.3305 148 V 4.2468 8.2368 123.3593 60.8087 34.5655 173.8372 149 D 4.5680 8.7178 128.4517 54.2576 41.2569 175.4436 150 T 4.2888 8.2698 116.2911 62.0799 69.1416 175.9274 151 N 4.3965 8.8044 120.6901 56.4949 39.1316 176.4343 152 R 4.7235 7.6297 113.2492 55.4266 30.5424 176.3588 153 R 4.5955 7.4940 115.3552 53.5876 34.0568 176.5880 154 N 4.6511 8.5023 120.2344 51.8203 39.6680 174.3194 155 P 4.3271 0.0000 0.0000 65.8728 31.2827 179.0453 156 G 3.7129 8.2047 103.6941 47.9113 0.0000 175.3698 157 A 4.0354 8.0081 122.5189 54.7845 18.4055 179.4243 158 V 3.4551 7.6368 116.5648 66.2746 31.5437 178.1231 159 V 3.5636 7.6230 117.2712 66.4772 31.2540 178.4642 160 R 3.9267 7.8264 117.4227 59.2926 29.6713 178.2323 161 H 4.0367 7.8248 116.7210 59.4948 30.0780 177.0307 162 I 3.8535 7.6560 120.6377 64.5441 36.6484 178.1121 163 L 3.9803 7.8142 119.9509 58.2154 41.3062 179.7179 164 S 4.0426 7.7382 112.1477 60.2176 63.3348 175.6234 165 R 4.3520 7.7119 119.9651 56.4391 30.4730 176.1717 166 L 4.1851 7.3079 123.5609 54.9513 41.6513 176.6414 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 2 A 8.26 4.46 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.29 0.00 2.16 2.13 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.36 0.00 4 K 8.75 4.27 0.00 1.68 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.55 7.81 5 A 7.83 4.72 1.21 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 0.00 0.00 6 V 8.59 4.80 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 0.99 0.00 0.00 0.92 0.00 0.00 7 L 8.50 5.30 0.00 1.69 1.57 0.94 0.54 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 V 9.48 4.55 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 0.81 0.00 0.00 1.05 0.00 0.00 9 G 8.48 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.58 4.21 0.00 1.72 1.49 0.88 0.88 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 11 P 0.00 4.38 0.00 2.25 2.11 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 12 G 9.00 4.05 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 0.00 0.00 0.00 13 S 7.72 4.11 0.00 4.00 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 14 G 8.76 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.54 3.86 0.00 1.84 1.92 0.00 1.76 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.51 7.81 16 S 8.08 4.19 0.00 3.89 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 17 T 7.99 3.87 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 18 I 8.00 3.87 1.88 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 1.62 0.95 0.92 0.00 0.00 19 G 7.93 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.71 3.90 0.00 1.88 1.97 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 21 R 7.64 3.92 0.00 1.93 1.97 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 22 L 8.12 3.96 0.00 1.85 1.76 0.93 0.94 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 23 A 7.93 3.99 1.42 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 0.00 0.00 0.00 24 K 7.88 3.78 0.00 1.81 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.62 7.81 25 A 7.53 4.05 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 26 L 7.72 4.31 0.00 1.59 1.73 0.93 1.34 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 27 G 7.64 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.66 4.55 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 0.94 0.00 0.00 29 G 8.52 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.36 5.15 0.00 1.66 1.57 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.42 4.59 0.00 1.46 1.24 0.81 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.59 5.08 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.55 3.91 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 1.20 0.00 0.00 34 D 8.14 4.44 0.00 2.83 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 35 V 7.85 3.63 2.25 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 1.06 0.00 0.00 0.95 0.00 0.00 36 A 7.93 3.99 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 37 I 7.65 3.65 1.97 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.06 0.98 0.00 0.00 38 E 7.52 4.28 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 39 Q 7.67 4.16 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 40 R 7.73 4.12 0.00 1.82 1.98 0.00 3.32 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 41 T 7.54 4.35 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 1.22 0.00 0.00 42 G 8.58 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.39 4.73 0.00 2.04 2.08 0.00 2.80 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 44 S 8.22 4.58 0.00 3.91 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 45 I 8.34 3.87 1.82 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.32 0.73 0.00 0.00 46 A 7.96 4.02 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 47 D 8.11 4.36 0.00 2.99 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 48 I 7.63 3.75 2.05 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 1.59 1.04 1.00 0.00 0.00 49 F 8.27 3.90 0.00 3.07 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 50 A 7.83 4.07 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 51 T 7.84 4.07 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 1.22 0.00 0.00 52 D 8.41 4.68 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.74 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.52 3.14 0.00 1.88 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 2.37 2.39 0.00 55 Q 7.94 3.96 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 56 E 8.04 4.01 0.00 2.08 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 2.35 2.39 0.00 57 F 7.73 4.12 0.00 2.76 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 58 R 8.05 3.82 0.00 1.85 1.94 0.00 3.41 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.82 0.00 59 R 7.52 3.78 0.00 1.95 1.86 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 60 I 7.12 3.64 1.74 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 1.48 1.39 0.83 0.00 0.00 61 E 7.58 3.64 0.00 1.38 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 2.20 2.18 0.00 62 E 7.85 3.83 0.00 2.04 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 0.00 2.28 2.31 0.00 63 D 7.64 4.23 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.43 3.58 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 0.91 0.00 0.00 0.89 0.00 0.00 65 V 7.68 3.52 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 0.95 0.00 0.00 0.92 0.00 0.00 66 R 7.86 3.91 0.00 1.91 1.97 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 67 A 7.71 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.88 3.93 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 69 L 7.65 3.94 0.00 1.64 1.70 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.44 4.28 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 71 D 7.94 4.73 0.00 2.71 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 72 H 7.63 4.80 0.00 3.08 3.33 0.00 5.93 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.59 4.98 0.00 2.65 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 74 G 6.66 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.84 4.73 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 0.94 0.00 0.00 0.95 0.00 0.00 76 L 8.51 5.14 0.00 1.84 1.50 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.71 5.05 0.00 3.83 3.77 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 78 L 8.28 4.60 0.00 1.67 1.64 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.46 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 0.00 0.00 0.00 80 G 8.90 3.67 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 0.00 81 G 8.11 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 82 A 7.94 4.20 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 83 V 7.77 3.75 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 0.78 0.00 0.00 0.59 0.00 0.00 84 T 7.49 3.99 4.21 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 1.15 0.00 0.00 85 S 7.74 4.38 0.00 3.88 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 86 P 0.00 4.36 0.00 2.13 2.08 0.00 3.58 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 87 G 8.01 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 0.00 0.00 0.00 88 V 7.68 3.59 2.28 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 1.11 0.00 0.00 0.91 0.00 0.00 89 R 7.52 3.96 0.00 1.75 1.96 0.00 3.16 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 90 A 7.90 4.13 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.62 4.08 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 92 L 7.74 4.17 0.00 1.76 1.74 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.00 4.19 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 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0.00 0.00 0.00 1.01 1.74 0.00 119 L 7.47 4.29 0.00 1.46 1.63 0.95 0.93 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 0.00 120 L 7.85 4.58 0.00 1.71 1.68 1.03 1.05 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 0.00 121 A 7.67 4.07 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 0.00 122 G 8.72 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 0.00 0.00 0.00 123 P 0.00 4.59 0.00 2.18 2.07 0.00 3.92 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 124 D 8.47 4.42 0.00 2.93 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 0.00 125 R 7.99 3.93 0.00 1.85 1.99 0.00 3.20 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 1.86 1.83 0.00 126 A 8.01 3.98 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 0.00 127 E 8.22 3.91 0.00 2.06 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 2.40 2.43 0.00 128 K 7.92 3.99 0.00 1.89 1.87 0.00 1.92 0.00 0.00 1.60 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.55 7.81 129 Y 8.11 3.95 0.00 3.13 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 0.00 130 R 8.04 4.06 0.00 1.91 2.02 0.00 3.22 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 131 A 7.90 4.01 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 0.00 132 L 7.67 3.89 0.00 1.84 1.57 0.89 1.13 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 0.00 133 M 7.83 3.99 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 134 A 7.49 4.04 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 0.00 135 K 7.58 4.07 0.00 1.92 1.93 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.44 7.81 136 R 7.97 3.94 0.00 1.68 1.46 0.00 3.13 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 137 A 7.83 4.19 1.52 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 0.00 0.00 138 P 0.00 4.21 0.00 2.12 2.10 0.00 3.47 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 139 L 7.62 3.87 0.00 1.38 1.47 0.77 0.82 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 0.00 140 Y 6.85 3.99 0.00 1.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.48 4.07 0.00 1.84 2.06 0.00 3.28 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 142 R 7.45 4.03 0.00 1.75 2.04 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 143 V 7.32 3.74 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 0.75 0.00 0.00 0.98 0.00 0.00 144 A 7.12 4.30 1.45 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 0.00 145 T 8.31 4.53 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 1.29 0.00 0.00 146 M 7.94 4.85 0.00 2.10 1.91 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 2.59 0.00 147 R 8.79 5.13 0.00 1.70 1.86 0.00 3.26 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 148 V 8.24 4.25 2.02 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 0.80 0.00 0.00 0.96 0.00 0.00 149 D 8.72 4.57 0.00 2.64 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 0.00 150 T 8.27 4.29 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 1.15 0.00 0.00 151 N 8.80 4.40 0.00 2.88 2.89 0.00 0.00 6.69 7.18 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 0.00 152 R 7.63 4.72 0.00 1.73 1.84 0.00 3.13 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 153 R 7.49 4.60 0.00 1.70 1.76 0.00 3.13 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 154 N 8.50 4.65 0.00 2.98 2.93 0.00 0.00 6.26 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.33 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 156 G 8.20 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.01 4.04 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 0.00 158 V 7.64 3.46 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 0.97 0.00 0.00 0.96 0.00 0.00 159 V 7.62 3.56 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 0.98 0.00 0.00 0.99 0.00 0.00 160 R 7.83 3.93 0.00 1.85 1.96 0.00 3.20 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 161 H 7.82 4.04 0.00 3.12 3.53 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 7.66 3.85 1.89 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 1.56 0.75 0.93 0.00 0.00 163 L 7.81 3.98 0.00 1.71 1.75 0.92 0.86 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 0.00 164 S 7.74 4.04 0.00 3.96 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 0.00 165 R 7.71 4.35 0.00 1.89 2.00 0.00 3.06 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 166 L 7.31 4.19 0.00 1.47 1.58 0.93 0.80 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 * Residues marked with a * may have inaccurate shift predictions.