NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 N 4.8224 8.2833 117.7969 51.8848 39.1399 175.3352 19 L 3.9845 8.4136 122.1614 56.0446 41.7559 177.2997 20 P 4.3312 0.0000 0.0000 66.4388 31.6418 178.4771 21 N 4.6221 8.0179 114.8252 56.6338 37.7662 178.4660 22 M 4.4328 7.6082 117.3731 58.5200 32.3352 177.6864 23 L 4.4245 7.5638 116.5284 55.0631 42.2624 178.5308 24 R 3.8867 7.8423 119.5563 59.6561 29.9720 178.0473 25 D 4.3559 8.0594 118.1556 57.0563 40.8562 178.3676 26 L 3.9639 7.8385 120.4540 58.2638 42.3050 179.0275 27 R 4.0441 8.2486 118.2449 59.5274 29.7774 178.8777 28 D 4.4020 8.3377 117.7698 57.1668 41.1589 178.3490 29 A 4.1781 8.2626 121.5079 55.1285 18.3302 179.4811 30 F 4.2564 8.4180 119.5304 61.2963 39.2753 177.2515 31 S 4.0675 7.9126 112.2287 60.4354 62.4883 176.1062 32 R 4.0805 7.6057 121.9792 58.8774 30.1047 178.7948 33 V 3.5492 7.4432 117.8511 65.7740 31.6961 178.0139 34 K 4.0520 7.7520 119.1712 59.9336 31.9630 178.6182 35 T 4.0047 7.2496 108.9049 63.1934 68.7985 175.3174 36 F 4.2951 8.0669 119.5685 58.9790 39.8247 174.9899 37 F 4.8681 7.7563 118.1056 55.6706 41.6746 173.4615 *45 N 4.3663 8.5763 120.6530 53.9349 38.9538 174.9151 46 L 4.2135 8.2455 127.5398 54.7422 43.0859 176.4521 47 L 4.1514 8.4727 125.8150 57.5224 42.5743 177.6835 48 L 4.3719 7.4140 119.3866 52.5972 40.2848 175.9957 49 K 4.0991 7.6493 122.1639 55.9797 33.2690 177.8853 50 E 4.0176 8.5612 120.0638 58.8382 29.5662 178.8734 51 S 4.1390 7.9520 114.2515 61.2764 63.0108 176.0504 52 L 3.8542 7.7155 124.0963 57.8357 41.5918 178.6776 53 L 3.6796 7.4771 118.7032 58.1179 41.9804 178.3173 54 E 4.1273 8.2406 118.5808 59.4743 29.3707 178.9947 55 D 4.4908 8.1786 118.4328 56.9964 40.3729 178.7365 56 F 4.3512 8.4021 118.6560 59.2157 38.5464 176.6702 57 K 4.7498 7.7156 115.8587 58.2555 33.5074 176.7197 58 G 4.3284 8.0184 112.6344 45.7973 0.0000 174.8753 *59 Y 3.9894 8.7962 117.9075 60.0550 37.2289 173.9999 60 L 4.6023 7.9020 119.1787 54.6204 42.2262 178.6786 61 G 4.1533 8.2416 109.9228 47.2424 0.0000 175.3978 62 C 4.1827 8.0658 120.8375 59.2572 44.0986 175.3521 63 Q 3.8971 8.0757 118.8943 58.8863 28.2259 178.6502 64 A 3.9771 7.8011 121.1228 55.0744 18.4701 179.2238 65 L 3.4496 7.4069 118.5816 58.1774 42.1042 179.1295 66 S 4.0312 8.0444 112.8574 61.5774 62.3599 175.8437 67 E 4.0254 8.4425 122.0670 59.4703 29.3119 178.6671 68 M 4.3197 8.4428 119.2898 58.3643 32.0439 178.7758 69 I 3.8896 8.3030 120.5312 64.4634 37.2589 178.2976 70 Q 4.0383 8.1801 120.3947 59.0120 28.8351 177.9799 71 F 4.3419 8.7896 122.2443 61.4985 39.3346 176.7637 72 Y 3.6673 8.0494 116.3073 61.1210 37.5122 178.6785 73 L 4.0156 8.0520 118.4229 56.8695 41.7211 178.2616 74 E 4.3552 8.1781 117.9965 57.8169 30.3009 176.4056 75 E 4.3596 7.6693 116.3975 58.3123 30.8432 178.1279 76 V 3.3968 7.3007 117.8705 66.3047 31.6257 178.0739 77 M 4.0961 8.4176 118.3376 58.1269 31.7733 177.1634 78 P 4.2450 0.0000 0.0000 65.6513 31.5711 178.6956 79 Q 3.9881 7.8689 116.3424 58.8193 28.4704 178.6248 80 A 4.0712 8.1755 121.9381 55.1469 18.3298 179.3333 81 E 3.8779 8.5135 117.8216 58.9161 29.4323 178.2089 82 N 4.4427 7.7111 116.3505 55.9453 39.1717 176.6861 83 Q 4.4330 7.8804 119.0716 57.5833 29.4617 175.8213 84 D 4.5241 7.9592 120.8939 50.8270 42.2868 173.5312 85 P 4.6280 0.0000 0.0000 64.3849 31.0258 177.5094 86 D 4.4641 8.0083 117.7588 56.5730 41.1659 177.4144 87 I 3.0476 7.7591 118.6523 61.6070 37.8846 177.2988 88 K 3.7450 7.6742 119.7486 60.2173 31.9583 178.3065 89 A 3.8890 7.8988 119.9430 55.5987 18.1429 179.0236 90 H 4.3678 7.7789 113.5567 58.3061 29.1535 178.0001 91 V 3.6261 7.6484 120.1211 65.8178 31.3458 177.6856 92 N 4.3233 8.4167 117.2114 56.6921 38.9073 177.1710 93 S 4.1670 8.1613 116.7271 61.3306 62.9930 176.4109 94 L 4.0956 8.4222 123.6776 57.9644 41.7761 179.2117 95 G 3.6390 8.2728 105.7610 47.8725 0.0000 175.3544 96 E 3.9763 8.2172 121.3316 59.3674 29.5614 179.3977 97 N 4.3585 8.1034 115.9939 56.0631 38.4796 177.2407 98 L 4.0277 7.9112 121.6234 57.7518 42.2042 179.0712 99 K 3.9880 8.3230 118.7758 59.6692 31.9196 179.2936 100 T 3.8569 8.0382 116.0763 66.5806 68.3746 176.2569 101 L 3.9105 7.9388 122.0249 58.2142 41.9160 178.9209 102 R 3.8855 7.8876 117.2928 59.4169 30.3984 178.1495 103 L 4.1537 8.4650 118.9946 57.9590 41.4396 179.6376 104 R 4.0057 8.0146 116.8669 59.3742 30.3597 178.9432 105 L 4.5093 8.0872 118.3449 56.6844 42.5854 177.4268 106 R 4.3628 7.6765 121.5877 54.3750 27.2057 175.3962 107 R 4.3797 7.5883 119.0728 56.7626 35.6829 176.8129 *111 F 5.2344 8.1643 113.5915 57.5072 41.3289 175.1964 112 L 4.8358 7.6456 119.4351 51.6404 42.0709 174.8919 113 P 4.2472 0.0000 0.0000 65.8690 31.6219 178.1671 114 C 4.5600 8.1594 110.3455 56.4345 41.6108 173.4780 115 E 4.2647 7.9702 119.1710 56.4877 29.9077 175.6155 116 N 4.8673 7.7582 116.8103 51.6627 40.0248 174.4622 117 K 4.6410 8.1063 119.4136 54.4280 35.9008 176.1888 118 S 4.2555 8.3605 114.5634 57.7952 63.2903 174.7759 119 K 3.9099 8.7073 130.0212 59.6296 32.1578 178.3910 120 A 4.1421 8.0111 120.5658 55.3627 18.2860 179.6435 121 V 3.5653 7.9497 116.6817 65.9834 31.5737 177.9434 122 E 3.9783 8.0942 119.0325 59.0557 29.4188 178.8123 123 Q 3.9755 8.3161 118.3956 59.0173 28.8641 178.6455 124 V 3.6388 7.7541 119.1550 66.3600 31.4890 178.2634 125 K 4.1040 8.1661 117.8687 59.3191 31.7893 179.2627 126 N 4.4173 8.4525 116.8005 55.9949 38.4259 177.1887 127 A 3.9936 8.4724 122.6846 55.2209 18.2835 179.1495 128 F 3.9828 8.1092 117.5953 61.8235 39.5444 176.9079 129 N 4.3427 8.4517 115.7250 56.2208 38.1911 177.6695 130 K 3.9696 8.1755 119.1463 59.3929 32.1276 179.0612 131 L 3.9927 8.2603 118.9402 55.3622 41.8557 178.2118 132 Q 3.1928 8.1617 117.9899 56.3958 28.1316 176.2700 133 E 3.8370 8.8086 124.5473 60.5408 29.1616 178.5464 134 K 4.2582 7.8906 118.2575 58.9204 31.9734 179.5811 135 G 3.3737 8.4696 106.8538 47.6911 0.0000 175.7089 136 I 3.9530 7.2554 120.9941 64.3055 37.0369 177.8221 137 Y 3.7598 8.0299 119.6536 60.5094 38.7946 177.8052 138 K 4.0757 8.5423 121.5462 59.0221 32.1630 178.6478 139 A 4.0159 8.1157 119.6351 55.4646 18.6179 179.2010 140 M 4.2164 8.4295 117.8643 58.5765 31.8063 179.2141 141 S 4.1125 8.3485 114.5874 60.8936 63.0301 175.2725 142 E 4.5557 7.9503 120.9336 56.3428 29.2758 177.8264 143 F 4.1218 8.4844 124.6809 61.2475 39.2976 176.8921 144 D 4.4454 8.2258 118.4621 56.1071 39.2053 178.5851 145 I 3.4741 7.6975 121.5530 64.0729 37.0988 177.9140 146 F 3.9689 7.8264 120.9008 61.3744 39.1761 176.8558 147 I 3.3262 7.4636 119.2733 64.4193 36.8656 178.1634 148 N 4.3339 8.1229 117.1132 56.5646 38.3562 177.0431 149 Y 4.3350 8.1248 118.2924 61.1138 37.8401 178.8186 150 I 3.5644 7.5247 120.6343 64.4569 37.2671 178.0435 151 E 3.8842 8.1926 119.7769 59.1397 29.1083 178.7124 152 A 3.9909 7.7306 120.1258 55.2430 18.7454 178.6360 153 Y 4.1267 8.2106 118.2349 61.1682 38.7327 178.3209 154 M 4.0066 8.5340 117.7985 58.3929 31.1561 178.3994 155 T 4.0271 8.0171 117.1573 66.1714 68.4369 176.3194 156 M 3.8948 7.9611 120.8653 58.4745 32.2517 177.9050 157 K 4.1830 7.0244 115.2463 57.5600 32.5322 178.0155 158 I 3.8464 7.3279 119.3268 63.0203 37.4162 175.9953 159 R 4.0900 7.3431 123.7672 56.3344 29.8213 175.6440 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 18 N 8.28 4.82 0.00 2.67 2.76 0.00 0.00 6.79 5.79 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 19 L 8.41 3.98 0.00 1.76 1.72 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.33 0.00 2.16 2.11 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 21 N 8.02 4.62 0.00 2.82 2.73 0.00 0.00 6.69 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 22 M 7.61 4.43 0.00 2.00 2.36 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 23 L 7.56 4.42 0.00 1.69 1.67 0.88 0.70 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 24 R 7.84 3.89 0.00 2.14 1.94 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 25 D 8.06 4.36 0.00 2.81 2.89 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 26 L 7.84 3.96 0.00 1.75 1.86 0.91 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 27 R 8.25 4.04 0.00 2.15 2.01 0.00 3.19 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 28 D 8.34 4.40 0.00 2.66 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 29 A 8.26 4.18 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 0.00 0.00 30 F 8.42 4.26 0.00 3.22 3.23 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 31 S 7.91 4.07 0.00 4.07 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 32 R 7.61 4.08 0.00 2.04 1.83 0.00 3.23 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.00 33 V 7.44 3.55 2.18 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 1.47 0.00 0.00 1.06 0.00 0.00 34 K 7.75 4.05 0.00 1.80 1.01 0.00 1.22 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.32 7.81 35 T 7.25 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 1.15 0.00 0.00 36 F 8.07 4.30 0.00 2.43 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 37 F 7.76 4.87 0.00 3.27 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 *45 N 8.58 4.37 0.00 2.68 2.80 0.00 0.00 6.78 7.78 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 46 L 8.25 4.21 0.00 1.61 1.53 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.47 4.15 0.00 1.63 1.68 0.92 1.01 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 48 L 7.41 4.37 0.00 1.64 1.56 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.65 4.10 0.00 1.73 1.70 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.34 7.81 50 E 8.56 4.02 0.00 1.99 1.91 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 2.49 2.32 0.00 51 S 7.95 4.14 0.00 4.06 4.08 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 52 L 7.72 3.85 0.00 1.66 1.54 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.48 3.68 0.00 1.49 1.79 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.24 4.13 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 2.33 2.44 0.00 55 D 8.18 4.49 0.00 3.06 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 56 F 8.40 4.35 0.00 3.26 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 57 K 7.72 4.75 0.00 1.93 1.94 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.71 1.45 7.81 58 G 8.02 4.33 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 0.00 *59 Y 8.80 3.99 0.00 2.34 2.24 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 60 L 7.90 4.60 0.00 1.72 1.70 0.93 0.92 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 61 G 8.24 4.15 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 0.00 62 C 8.07 4.18 0.00 2.98 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 63 Q 8.08 3.90 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 64 A 7.80 3.98 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.41 3.45 0.00 0.84 1.34 0.72 0.48 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 66 S 8.04 4.03 0.00 3.91 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 67 E 8.44 4.03 0.00 2.20 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 2.31 2.36 0.00 68 M 8.44 4.32 0.00 2.39 2.56 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 3.07 0.00 69 I 8.30 3.89 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.95 0.00 0.00 70 Q 8.18 4.04 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 71 F 8.79 4.34 0.00 2.98 3.20 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 72 Y 8.05 3.67 0.00 3.11 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 73 L 8.05 4.02 0.00 1.67 1.76 0.95 0.72 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 74 E 8.18 4.36 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 2.26 2.34 0.00 75 E 7.67 4.36 0.00 1.88 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 2.36 2.39 0.00 76 V 7.30 3.40 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 0.94 0.00 0.00 -0.44 0.00 0.00 77 M 8.42 4.10 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.66 0.00 78 P 0.00 4.25 0.00 2.14 2.09 0.00 3.65 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 2.25 2.17 0.00 79 Q 7.87 3.99 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 80 A 8.18 4.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.51 3.88 0.00 2.00 2.13 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 2.28 2.44 0.00 82 N 7.71 4.44 0.00 2.72 2.96 0.00 0.00 7.23 6.97 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 83 Q 7.88 4.43 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.68 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 84 D 7.96 4.52 0.00 2.64 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 85 P 0.00 4.63 0.00 2.28 2.28 0.00 3.91 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 86 D 8.01 4.46 0.00 2.89 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.76 3.05 1.43 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.12 0.88 0.00 0.00 88 K 7.67 3.75 0.00 1.79 1.83 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.57 7.81 89 A 7.90 3.89 1.15 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 90 H 7.78 4.37 0.00 3.14 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.65 3.63 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 1.05 0.00 0.00 0.99 0.00 0.00 92 N 8.42 4.32 0.00 2.85 2.83 0.00 0.00 7.18 7.95 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 93 S 8.16 4.17 0.00 4.06 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 94 L 8.42 4.10 0.00 1.92 1.89 1.05 1.30 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 95 G 8.27 3.64 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 0.00 0.00 0.00 96 E 8.22 3.98 0.00 2.16 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 0.00 2.57 2.51 0.00 97 N 8.10 4.36 0.00 2.92 2.87 0.00 0.00 6.73 6.39 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 98 L 7.91 4.03 0.00 1.94 1.76 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.32 3.99 0.00 1.98 1.85 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.65 7.81 100 T 8.04 3.86 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 101 L 7.94 3.91 0.00 1.84 1.79 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.89 3.89 0.00 1.96 1.95 0.00 3.49 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 103 L 8.46 4.15 0.00 1.83 1.71 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.01 4.01 0.00 1.93 2.07 0.00 3.19 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 105 L 8.09 4.51 0.00 1.93 1.78 0.72 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.68 4.36 0.00 2.04 1.92 0.00 3.21 0.00 0.00 3.28 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 107 R 7.59 4.38 0.00 1.76 1.75 0.00 3.30 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.12 0.00 *111 F 8.16 5.23 0.00 3.21 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 0.00 112 L 7.65 4.84 0.00 1.70 1.56 0.94 1.02 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 0.00 113 P 0.00 4.25 0.00 2.23 2.33 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 114 C 8.16 4.56 0.00 3.10 3.35 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 0.00 115 E 7.97 4.26 0.00 2.01 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 2.27 2.26 0.00 116 N 7.76 4.87 0.00 3.03 2.74 0.00 0.00 6.71 7.04 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 0.00 117 K 8.11 4.64 0.00 1.81 1.74 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.37 7.81 118 S 8.36 4.26 0.00 3.91 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 0.00 119 K 8.71 3.91 0.00 1.90 1.79 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.57 7.81 120 A 8.01 4.14 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 0.00 121 V 7.95 3.57 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 0.94 0.00 0.00 0.92 0.00 0.00 122 E 8.09 3.98 0.00 2.12 2.13 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 2.47 2.35 0.00 123 Q 8.32 3.98 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 124 V 7.75 3.64 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 0.98 0.00 0.00 1.03 0.00 0.00 125 K 8.17 4.10 0.00 2.00 1.87 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.51 7.81 126 N 8.45 4.42 0.00 2.81 2.88 0.00 0.00 6.82 7.27 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 0.00 127 A 8.47 3.99 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 0.00 128 F 8.11 3.98 0.00 3.08 3.38 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 0.00 129 N 8.45 4.34 0.00 3.01 2.86 0.00 0.00 7.09 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.18 3.97 0.00 1.83 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.52 7.81 131 L 8.26 3.99 0.00 1.73 1.69 0.93 0.99 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 0.00 132 Q 8.16 3.19 0.00 2.13 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.47 0.00 133 E 8.81 3.84 0.00 1.98 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 0.00 2.38 2.40 0.00 134 K 7.89 4.26 0.00 1.95 1.82 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.39 7.81 135 G 8.47 3.37 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 0.00 136 I 7.26 3.95 2.10 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 1.54 0.61 0.99 0.00 0.00 137 Y 8.03 3.76 0.00 3.16 3.18 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 0.00 138 K 8.54 4.08 0.00 2.19 2.04 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.41 7.81 139 A 8.12 4.02 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 0.00 140 M 8.43 4.22 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.88 0.00 141 S 8.35 4.11 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 0.00 142 E 7.95 4.56 0.00 2.12 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 2.29 2.45 0.00 143 F 8.48 4.12 0.00 3.19 3.03 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 0.00 144 D 8.23 4.45 0.00 3.00 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 0.00 145 I 7.70 3.47 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.36 0.40 0.00 0.00 146 F 7.83 3.97 0.00 2.71 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 0.00 147 I 7.46 3.33 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.79 0.88 0.00 0.00 148 N 8.12 4.33 0.00 2.85 2.91 0.00 0.00 7.05 7.09 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 0.00 149 Y 8.12 4.34 0.00 3.04 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 I 7.52 3.56 1.73 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.12 0.80 0.00 0.00 151 E 8.19 3.88 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 152 A 7.73 3.99 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 0.00 153 Y 8.21 4.13 0.00 3.05 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.53 4.01 0.00 2.34 2.33 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 2.60 2.95 0.00 155 T 8.02 4.03 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 156 M 7.96 3.89 0.00 1.90 2.05 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 157 K 7.02 4.18 0.00 1.65 1.65 0.00 1.53 0.00 0.00 1.25 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.97 0.63 7.81 158 I 7.33 3.85 2.00 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 1.16 0.31 0.88 0.00 0.00 159 R 7.34 4.09 0.00 1.86 1.79 0.00 3.31 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.