NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 3.9232 8.1733 121.9312 55.5641 34.7522 175.3666 11 F 5.1769 7.8971 116.7473 55.1449 41.2567 173.4153 12 N 4.9351 10.1196 123.1682 52.4032 41.6852 174.1815 13 D 4.5008 9.8762 124.6741 55.4713 38.4374 175.0668 14 G 3.9320 8.6264 104.4804 45.5661 0.0000 173.3725 15 N 5.0684 8.0608 117.7923 50.8304 40.6266 173.8387 16 L 4.3783 8.8845 125.3293 54.9087 42.5137 175.8260 17 N 4.2397 9.2189 126.5866 52.0284 37.9416 175.2880 18 I 3.8619 8.2056 119.7432 62.2321 38.2649 177.2099 19 A 4.1424 7.9354 124.1948 54.1058 18.8967 176.7736 20 Y 4.2444 7.4417 117.2727 59.1137 38.9743 175.6585 21 A 3.3792 8.0197 128.1121 52.7217 16.8537 177.3795 22 K 4.2668 7.6471 116.9310 56.1206 33.1313 175.3569 23 P 4.5256 0.0000 0.0000 63.2522 32.2726 175.5654 24 T 5.0715 8.2997 112.5551 60.3641 72.3270 172.4695 25 T 4.8445 8.3608 111.5670 60.9142 72.9131 172.0216 26 Q 4.2789 8.0494 119.0174 54.6987 31.7877 175.3371 27 S 3.3019 7.3619 114.1503 60.9029 63.4705 174.2523 28 S 4.3872 6.9343 112.7106 57.7985 64.8167 174.3065 29 V 4.7123 8.2129 119.5158 61.0325 33.8765 173.8067 30 D 4.7447 8.5692 124.9336 53.2878 44.2691 174.3384 31 Y 3.7135 8.6983 117.4733 59.0246 35.4683 170.4347 32 N 4.2516 8.5510 112.4330 54.4083 36.9706 175.9355 33 G 4.1665 8.3412 107.6164 44.8102 0.0000 174.2080 34 D 4.7847 7.7035 119.7612 53.6573 42.3097 176.7742 35 P 4.8837 0.0000 0.0000 65.1580 31.4048 178.0869 36 N 4.6469 8.2372 116.0756 55.0321 37.0738 176.9243 37 R 4.0317 8.0973 120.0556 58.6052 30.4199 177.5167 38 A 4.5833 7.9916 118.6793 52.2648 18.7884 178.0440 39 V 4.8022 7.8770 111.7202 61.2414 32.5662 176.4949 40 D 4.6566 8.5714 117.8210 53.1825 39.7178 177.6564 41 G 4.0206 9.1320 108.8948 45.4737 0.0000 172.8241 42 N 4.8170 8.1612 118.4023 51.7572 40.2816 174.5566 43 R 3.8542 8.3543 123.7618 56.5028 30.7271 176.2300 44 N 4.1322 8.3571 117.8169 54.4247 39.1531 174.4516 45 G 3.9039 8.6200 112.8197 45.2233 0.0000 172.1928 46 N 4.9302 7.8632 120.1421 52.7028 39.5241 174.9689 47 F 3.9327 9.5945 129.6382 61.5452 39.4919 176.6848 48 N 4.5350 8.3287 115.4261 54.8894 38.5280 176.1181 49 S 4.0695 7.8750 113.2220 59.5212 63.2876 175.5451 50 G 3.7298 7.7323 108.5403 45.2354 0.0000 173.7413 51 S 4.6197 7.4931 112.2611 57.7151 62.8158 173.6082 52 V 4.7493 7.1451 119.2322 61.7687 33.8011 175.2592 53 T 4.5020 8.8181 118.2609 62.2073 70.9218 173.0260 54 H 4.8964 9.3054 119.2510 56.6566 33.6924 173.4355 55 T 5.2655 8.2903 116.8890 59.6713 71.0913 174.1783 56 R 4.2532 8.5708 121.6828 55.6293 31.5909 177.9761 57 A 4.3526 8.4300 121.6452 51.5761 16.9904 176.5997 58 D 4.7627 8.6417 122.2155 52.3436 44.4742 175.4988 59 N 5.2315 8.3186 114.4523 51.1234 37.9495 172.0489 60 P 4.9739 0.0000 0.0000 60.7182 34.5656 175.9897 61 S 4.4877 8.3013 114.4346 58.4414 64.0638 173.6687 62 W 5.8090 8.2069 119.3083 55.3747 31.9712 173.1354 63 W 5.7681 9.7517 129.6790 56.1858 34.3302 173.2366 64 E 4.9953 8.5275 125.4266 54.5822 33.2426 173.9342 65 V 4.4205 8.1719 125.5140 59.7783 34.3945 173.9464 66 D 5.1380 8.5763 123.5520 52.6787 42.1193 175.8635 67 L 4.1337 8.8832 126.0961 55.2603 41.5424 178.0089 68 K 4.1777 10.2443 119.3132 56.0187 31.1453 175.7778 69 K 4.5550 7.0781 115.5494 55.3858 36.2638 175.0632 70 M 4.4341 8.4526 120.4776 55.9392 32.5368 175.5209 71 D 4.8122 9.0652 121.9331 52.9988 46.1313 173.0780 72 K 4.9970 8.5871 117.3147 54.5840 35.0776 175.6266 73 V 4.4604 8.8216 125.0877 61.1144 33.9514 174.7077 74 G 4.2047 9.4880 115.7285 46.0966 0.0000 176.0694 75 L 4.8370 7.6882 128.3494 54.9591 43.4838 174.3776 76 V 4.9885 9.5475 126.3356 61.0751 34.3327 173.7912 77 K 5.0361 9.4764 129.8712 54.6994 34.8677 174.4610 78 I 4.9004 8.7094 128.5509 59.7549 40.0601 173.9713 79 Y 4.9656 9.0238 125.4518 56.1423 39.7998 175.2876 80 N 4.7834 9.1043 124.0361 52.8026 40.0673 174.5741 81 R 4.3174 8.5822 123.3326 57.3321 30.1400 176.1418 82 T 4.5895 8.8506 113.5482 61.6959 70.7374 175.0694 83 D 4.4214 8.2489 120.6306 55.7014 40.0095 175.7673 84 A 4.2759 7.9236 118.8236 52.1500 21.6788 174.5397 85 E 4.1081 8.7991 115.2732 56.4221 26.8702 177.6417 86 T 3.9629 7.8984 110.8462 64.4025 69.1161 176.0704 87 Q 4.1380 8.0559 119.7666 58.3724 28.8491 178.4800 88 R 3.8682 7.7516 117.9243 58.9607 30.2373 177.1306 89 L 4.1825 7.2154 120.1415 53.0970 40.2888 175.3360 90 S 4.7854 8.0202 115.1633 57.1680 66.7007 174.2970 91 N 4.1711 8.8753 118.4056 54.5278 37.4469 172.7386 92 F 5.5282 8.1176 114.0236 55.4182 42.5387 175.0787 93 D 5.4034 9.2593 119.9509 52.9097 43.6900 175.5385 94 V 5.0004 8.9806 122.1133 61.4133 34.0901 174.3437 95 I 4.8492 9.0371 128.8814 59.4502 40.6633 174.4125 96 L 4.9503 8.3069 126.5963 53.4929 43.6594 175.2611 97 Y 5.3588 8.9594 120.6628 56.3885 42.2352 175.9951 98 D 4.5871 8.8146 121.9227 52.4862 41.8787 176.2801 99 N 4.5341 8.7821 116.1124 56.2183 38.6492 175.8378 100 N 4.8661 8.8427 114.9009 52.6162 38.8967 174.9689 101 R 3.9973 7.8535 115.5083 57.1837 28.3620 176.0666 102 N 4.7082 7.8027 115.2428 52.3001 39.4724 174.6823 103 E 4.0740 8.8607 123.9225 56.4621 30.0635 176.4671 104 V 4.4224 8.1463 118.7489 61.5994 33.8721 175.4416 105 A 4.6149 7.5258 119.8412 51.2678 22.4545 175.0073 106 K 5.0877 8.5501 119.5100 55.2818 35.5067 175.2435 107 K 4.7336 9.4629 125.9631 54.8730 36.0786 174.3935 108 H 5.2257 8.7789 123.3081 54.6026 31.7687 173.9196 109 V 3.9874 7.7997 125.3829 61.2357 33.3897 175.7204 110 N 4.4300 8.8129 125.8442 55.7948 39.5920 174.6617 111 N 5.0057 7.5955 111.6964 52.5403 39.6909 172.8134 112 L 4.7632 8.3847 118.2559 53.0439 43.6393 177.1743 113 S 4.3766 8.7903 117.6918 59.5434 64.1088 173.8653 114 G 4.3500 7.5667 109.5384 44.1321 0.0000 172.2549 115 E 4.4156 8.6677 117.2644 58.1172 30.6036 176.5235 116 S 5.1074 7.7708 112.7224 56.7244 66.6480 173.4995 117 V 4.5417 8.5693 118.9393 59.9989 34.6511 174.4989 118 S 5.2680 8.6815 118.4343 56.8196 65.3687 173.3860 119 L 4.7260 9.1631 124.0932 52.7897 45.4723 175.0699 120 D 5.2198 8.4238 121.9937 52.7512 42.9041 175.3894 121 F 4.3971 9.4728 125.0700 56.6575 39.3772 176.3539 122 K 4.1699 9.1622 119.2433 57.8270 29.6957 175.7251 123 E 3.8983 8.5444 113.5612 56.8223 27.6264 174.9079 124 K 3.9678 7.8742 120.5384 56.8635 33.3109 176.1042 125 G 4.1151 8.7284 114.4906 46.2715 0.0000 172.5188 126 A 4.7169 9.0897 125.8840 51.3065 22.8150 176.3864 127 R 4.2462 9.0874 120.0366 56.1782 32.4300 175.6789 128 Y 5.2830 7.9294 115.2374 56.0289 41.8077 174.8415 129 I 4.9604 8.6971 123.3835 59.4522 40.4942 174.3000 130 K 5.1475 9.4752 128.9304 54.6015 35.2546 174.6708 131 V 5.0317 9.3537 127.4993 61.2790 33.6657 174.1627 132 K 5.2060 9.2798 129.5683 54.4975 34.8595 175.3411 133 L 4.6326 8.8584 128.1310 55.0434 42.0441 177.4036 134 L 4.5012 8.9131 121.3370 55.0547 42.4370 176.6134 135 T 4.5304 7.6664 116.5415 61.2353 68.6111 174.6389 136 S 4.1218 8.6451 121.5177 59.8643 63.3338 174.7756 137 G 4.0013 8.9523 110.5221 46.3376 0.0000 172.9906 138 V 4.3854 6.9971 119.5409 59.8209 33.0537 173.9084 139 P 4.5324 0.0000 0.0000 62.7555 32.3382 175.2775 140 L 4.5453 8.6796 125.6700 53.6774 44.1551 175.2598 141 S 5.1775 8.3288 121.1564 55.5265 66.8462 172.7731 142 L 4.5255 8.7730 124.0666 52.7922 44.2120 177.5555 143 A 3.9956 9.0741 126.6768 54.8525 19.1156 177.3236 144 E 4.7306 7.4857 112.0422 55.5799 33.0888 175.2335 145 V 4.9128 9.0434 125.5151 61.3625 34.0926 174.3242 146 E 4.9040 9.5082 128.0111 54.6117 32.4506 175.3145 147 V 4.7760 8.4729 122.6665 61.1572 34.9152 174.2812 148 F 5.4018 9.2169 125.8773 55.7891 42.2481 176.6543 149 R 4.9826 9.2265 118.7376 57.2915 30.6186 175.7579 150 E 4.6466 7.9108 117.1341 55.1312 33.0453 176.3599 *151 S 4.2554 8.5111 113.8579 58.4746 63.0531 170.3444 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 10 K 8.17 3.92 0.00 1.48 1.47 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.90 7.81 11 F 7.90 5.18 0.00 3.16 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 12 N 10.12 4.94 0.00 2.98 2.84 0.00 0.00 6.94 8.08 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 13 D 9.88 4.50 0.00 2.78 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 14 G 8.63 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 0.00 0.00 0.00 15 N 8.06 5.07 0.00 2.69 2.73 0.00 0.00 6.63 6.35 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 16 L 8.88 4.38 0.00 1.90 1.77 0.58 1.04 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 17 N 9.22 4.24 0.00 2.63 2.74 0.00 0.00 6.52 8.22 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 18 I 8.21 3.86 1.84 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 1.33 0.65 0.90 0.00 0.00 19 A 7.94 4.14 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 20 Y 7.44 4.24 0.00 2.83 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 21 A 8.02 3.38 0.65 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 22 K 7.65 4.27 0.00 1.86 1.88 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.65 1.59 7.81 23 P 0.00 4.53 0.00 2.03 1.94 0.00 3.71 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 2.07 2.05 0.00 24 T 8.30 5.07 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 1.28 0.00 0.00 25 T 8.36 4.84 4.35 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 1.22 0.00 0.00 26 Q 8.05 4.28 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 27 S 7.36 3.30 0.00 3.52 2.63 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 28 S 6.93 4.39 0.00 3.89 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 29 V 8.21 4.71 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 0.88 0.00 0.00 0.92 0.00 0.00 30 D 8.57 4.74 0.00 2.63 2.45 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 31 Y 8.70 3.71 0.00 3.01 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 32 N 8.55 4.25 0.00 2.94 2.93 0.00 0.00 7.11 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 33 G 8.34 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.70 4.78 0.00 2.76 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 35 P 0.00 4.88 0.00 2.34 2.56 0.00 3.90 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.88 0.00 36 N 8.24 4.65 0.00 2.98 3.14 0.00 0.00 6.30 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 37 R 8.10 4.03 0.00 1.95 2.14 0.00 3.23 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 38 A 7.99 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.88 4.80 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 1.15 0.00 0.00 1.07 0.00 0.00 40 D 8.57 4.66 0.00 2.85 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 41 G 9.13 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 42 N 8.16 4.82 0.00 2.64 2.85 0.00 0.00 7.14 6.95 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 43 R 8.35 3.85 0.00 1.62 1.56 0.00 3.08 0.00 0.00 2.71 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 44 N 8.36 4.13 0.00 2.79 2.72 0.00 0.00 7.01 8.31 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 45 G 8.62 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 46 N 7.86 4.93 0.00 2.74 2.71 0.00 0.00 6.76 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 47 F 9.59 3.93 0.00 3.06 3.07 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 48 N 8.33 4.54 0.00 2.90 2.85 0.00 0.00 6.92 7.57 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 49 S 7.87 4.07 0.00 3.91 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 50 G 7.73 3.73 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 0.00 51 S 7.49 4.62 0.00 3.81 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 52 V 7.15 4.75 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.97 0.00 0.00 53 T 8.82 4.50 4.59 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 1.28 0.00 0.00 54 H 9.31 4.90 0.00 3.36 3.47 0.00 5.61 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.29 5.27 4.29 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 1.21 0.00 0.00 56 R 8.57 4.25 0.00 1.81 1.92 0.00 3.11 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 57 A 8.43 4.35 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 58 D 8.64 4.76 0.00 2.62 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 59 N 8.32 5.23 0.00 2.57 2.75 0.00 0.00 6.76 8.02 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 60 P 0.00 4.97 0.00 2.43 2.13 0.00 3.97 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 2.13 2.09 0.00 61 S 8.30 4.49 0.00 3.85 3.76 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 0.00 0.00 0.00 0.00 62 W 8.21 5.81 0.00 3.61 3.22 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 63 W 9.75 5.77 0.00 3.40 3.07 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 64 E 8.53 5.00 0.00 2.04 1.63 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 2.16 2.28 0.00 65 V 8.17 4.42 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 0.77 0.00 0.00 0.98 0.00 0.00 66 D 8.58 5.14 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.88 4.13 0.00 1.58 1.60 0.87 0.96 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 68 K 10.24 4.18 0.00 1.79 2.06 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.43 7.81 69 K 7.08 4.55 0.00 1.73 1.82 0.00 1.48 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.42 7.81 70 M 8.45 4.43 0.00 1.90 2.03 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 2.59 2.45 0.00 71 D 9.07 4.81 0.00 2.60 2.45 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 72 K 8.59 5.00 0.00 1.72 1.71 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.36 7.81 73 V 8.82 4.46 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 0.99 0.00 0.00 0.89 0.00 0.00 74 G 9.49 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 75 L 7.69 4.84 0.00 1.89 1.87 0.98 0.56 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 76 V 9.55 4.99 2.42 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 1.15 0.00 0.00 1.16 0.00 0.00 77 K 9.48 5.04 0.00 2.03 1.91 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.70 1.33 7.81 78 I 8.71 4.90 1.92 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 0.82 0.00 0.00 79 Y 9.02 4.97 0.00 2.99 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 80 N 9.10 4.78 0.00 2.74 2.77 0.00 0.00 7.19 7.22 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 81 R 8.58 4.32 0.00 1.86 1.81 0.00 3.21 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 82 T 8.85 4.59 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 1.30 0.00 0.00 83 D 8.25 4.42 0.00 2.81 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 84 A 7.92 4.28 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 E 8.80 4.11 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 86 T 7.90 3.96 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 87 Q 8.06 4.14 0.00 2.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 88 R 7.75 3.87 0.00 1.85 2.12 0.00 3.06 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 89 L 7.22 4.18 0.00 1.53 1.56 -0.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.02 4.79 0.00 4.18 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.88 4.17 0.00 2.99 2.88 0.00 0.00 7.01 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 92 F 8.12 5.53 0.00 3.23 3.16 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 93 D 9.26 5.40 0.00 2.78 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 94 V 8.98 5.00 2.40 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 1.30 0.00 0.00 1.26 0.00 0.00 95 I 9.04 4.85 1.81 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.22 0.00 0.00 96 L 8.31 4.95 0.00 1.34 1.38 -0.04 0.18 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 97 Y 8.96 5.36 0.00 2.97 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 98 D 8.81 4.59 0.00 2.93 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 99 N 8.78 4.53 0.00 2.69 2.91 0.00 0.00 6.72 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 0.00 100 N 8.84 4.87 0.00 2.92 2.78 0.00 0.00 6.85 8.31 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 0.00 101 R 7.85 4.00 0.00 1.80 1.67 0.00 2.80 0.00 0.00 2.63 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.28 0.00 102 N 7.80 4.71 0.00 3.31 2.77 0.00 0.00 6.70 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.86 4.07 0.00 1.81 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 2.16 1.99 0.00 104 V 8.15 4.42 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 0.95 0.00 0.00 105 A 7.53 4.61 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 0.00 106 K 8.55 5.09 0.00 1.83 1.66 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.52 7.81 107 K 9.46 4.73 0.00 1.74 1.55 0.00 0.69 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.18 1.19 7.81 108 H 8.78 5.23 0.00 3.09 3.14 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.80 3.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.61 0.00 0.00 110 N 8.81 4.43 0.00 2.73 2.83 0.00 0.00 6.69 6.92 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 0.00 111 N 7.60 5.01 0.00 2.80 2.81 0.00 0.00 5.87 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 0.00 112 L 8.38 4.76 0.00 1.65 1.85 1.14 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.79 4.38 0.00 3.97 3.98 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 0.00 114 G 7.57 4.35 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 0.00 115 E 8.67 4.42 0.00 2.00 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 2.42 2.33 0.00 116 S 7.77 5.11 0.00 3.26 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 0.00 117 V 8.57 4.54 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 1.05 0.00 0.00 0.91 0.00 0.00 118 S 8.68 5.27 0.00 3.71 3.79 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 0.00 119 L 9.16 4.73 0.00 1.61 1.20 1.06 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.42 5.22 0.00 2.61 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 9.47 4.40 0.00 3.37 3.08 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 0.00 0.00 0.00 122 K 9.16 4.17 0.00 1.94 1.92 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.54 1.53 7.81 123 E 8.54 3.90 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.28 0.00 124 K 7.87 3.97 0.00 2.15 1.76 0.00 1.53 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.47 7.81 125 G 8.73 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 0.00 126 A 9.09 4.72 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 0.00 127 R 9.09 4.25 0.00 1.64 1.57 0.00 2.89 0.00 0.00 2.92 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 128 Y 7.93 5.28 0.00 3.07 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 0.00 129 I 8.70 4.96 1.98 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 1.02 0.76 1.03 0.00 0.00 130 K 9.48 5.15 0.00 1.95 1.91 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.52 1.61 7.81 131 V 9.35 5.03 2.35 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 0.83 0.00 0.00 1.18 0.00 0.00 132 K 9.28 5.21 0.00 2.02 1.79 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.61 7.81 133 L 8.86 4.63 0.00 1.68 1.67 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.91 4.50 0.00 1.84 1.78 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.67 4.53 4.29 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 1.24 0.00 0.00 136 S 8.65 4.12 0.00 4.03 4.04 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 0.00 0.00 0.00 137 G 8.95 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 0.00 0.00 0.00 138 V 7.00 4.39 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 0.80 0.00 0.00 0.95 0.00 0.00 139 P 0.00 4.53 0.00 1.83 2.14 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 140 L 8.68 4.55 0.00 1.74 1.49 0.76 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.33 5.18 0.00 3.64 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 0.00 142 L 8.77 4.53 0.00 1.06 1.13 0.15 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 143 A 9.07 4.00 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 0.00 144 E 7.49 4.73 0.00 2.04 1.60 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 2.00 2.25 0.00 145 V 9.04 4.91 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 1.02 0.00 0.00 0.27 0.00 0.00 146 E 9.51 4.90 0.00 2.26 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 147 V 8.47 4.78 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 1.06 0.00 0.00 0.99 0.00 0.00 148 F 9.22 5.40 0.00 3.15 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 0.00 149 R 9.23 4.98 0.00 1.89 2.05 0.00 3.24 0.00 0.00 4.01 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 150 E 7.91 4.65 0.00 2.13 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 2.31 2.33 0.00 *151 S 8.51 4.26 0.00 3.62 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.