NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3757 8.3001 120.3254 55.1597 32.2255 173.2067 2 A 4.1561 8.0121 124.2887 50.8964 21.5522 175.0338 3 T 4.3353 8.3473 121.3015 62.2495 68.8706 172.0595 4 K 4.2590 7.8159 123.2898 54.8769 35.2336 174.9471 5 L 3.8218 8.3428 128.8962 54.8619 42.4486 176.7878 6 D 4.5898 8.1547 125.1626 52.7550 38.1754 175.5495 7 Y 4.4722 8.1272 123.6832 58.4955 38.2814 174.1271 8 E 4.6005 8.1375 118.6297 55.0228 32.6792 176.1319 9 D 4.3812 8.3615 118.0565 54.9688 38.9749 175.0677 10 A 3.6625 7.9393 122.1137 52.3900 16.4042 178.3965 11 V 3.5317 6.8312 120.8869 63.9683 32.1332 178.3309 12 F 4.6832 5.9963 113.5012 56.6680 37.2196 173.7150 13 Y 4.1826 9.2525 124.2769 59.3745 39.7660 177.3217 14 F 4.2453 6.5790 116.0629 57.8284 39.9489 177.5556 15 V 2.0000 6.8594 122.4169 63.6836 30.6988 177.5935 16 D 4.8163 7.3036 116.3792 53.1054 41.8142 175.6448 17 D 4.2308 7.6434 120.3299 55.7777 41.1341 178.2213 18 D 4.8605 8.2960 116.4280 53.8047 41.1294 172.9156 19 K 4.6928 7.6184 115.3382 54.3091 35.8220 175.3818 20 I 3.8942 8.2396 119.1726 61.0941 38.5314 174.8861 21 C 4.8376 8.0981 124.7228 58.0232 30.9464 173.2420 22 S 4.4048 8.2025 114.0692 58.2426 62.9277 175.6401 23 R 3.8868 8.6732 122.5102 59.5718 29.7544 178.4587 24 D 4.4894 7.9705 113.9679 55.6477 41.6944 176.7372 25 S 4.1265 7.7972 112.4252 60.3015 62.4281 175.0912 26 I 3.9043 7.2979 121.0682 62.3872 36.7466 178.0748 27 I 3.7439 7.3501 120.6731 64.6861 37.4476 177.5505 28 D 4.5992 7.9465 119.1151 56.8038 40.7156 178.1827 29 L 4.2953 7.7865 121.2701 58.7130 42.0191 179.2556 30 I 3.6065 7.5187 118.9305 64.2977 36.9548 178.0500 31 D 4.3816 8.0489 118.4456 57.3467 41.0450 177.8278 32 E 4.2563 8.8096 119.5309 59.7745 29.1013 178.7653 33 Y 3.6753 8.8681 119.8398 60.8458 38.6522 177.8808 34 I 3.7369 8.0349 120.6603 64.9066 37.1057 178.5453 35 T 4.1799 8.0618 116.4600 66.0394 68.3674 176.8826 36 W 3.8239 8.5436 130.8049 60.3359 30.4999 178.1107 37 R 3.2881 8.3489 118.6079 58.9257 29.3192 178.5189 38 N 4.2359 7.3149 116.7978 56.8338 39.2229 176.6473 39 H 4.0838 8.3713 117.9881 58.9672 28.7436 177.8181 40 V 3.5630 7.4347 119.5551 65.2483 31.1368 177.1224 41 I 4.0299 7.8064 119.4227 63.0166 37.5215 177.9564 42 V 3.8556 7.7577 112.1934 64.8155 31.5436 177.8421 43 F 4.1979 8.5527 114.9192 57.4083 39.7329 175.0775 44 N 5.1116 7.8094 118.1837 53.5930 38.2788 174.1056 45 K 4.7622 7.3887 128.9576 56.3385 31.9410 177.8006 46 D 4.8798 8.3880 125.0438 53.3276 44.3457 175.9710 47 I 3.6985 8.3571 124.2304 63.6971 38.3113 177.0865 48 T 4.2673 8.8740 109.5874 63.3501 69.1254 175.8098 49 S 4.4863 7.5412 117.6109 56.6199 60.1716 172.5495 50 C 4.4530 7.2911 117.2562 57.8657 32.6663 172.3536 51 G 4.2222 7.5254 109.3104 44.3498 0.0000 173.9248 52 R 3.8167 8.4882 116.9246 59.3206 30.1769 178.5486 53 L 3.9357 8.1473 119.3058 58.6267 42.4017 178.6586 54 Y 3.8885 7.6539 115.5500 60.7620 37.3573 178.4502 55 K 4.0311 7.7449 118.6592 59.4699 32.3899 178.8617 56 E 4.0119 7.7542 118.3207 59.1256 29.3724 179.1057 57 L 2.0000 7.0103 118.4460 57.4220 41.3500 179.2852 58 M 4.2531 7.3880 119.3876 57.6890 31.9111 178.5596 59 K 4.2573 7.7386 117.5948 58.2754 32.3072 178.6596 60 F 4.6741 7.8661 118.0156 59.1988 38.8637 177.0670 61 D 4.3932 8.0709 118.8538 57.3071 41.0535 177.5986 62 D 4.3795 7.9973 118.4079 57.2666 41.3778 178.3530 63 V 3.7465 8.1239 119.5621 64.7647 31.1847 178.3065 64 A 3.7961 7.9928 120.9167 54.9637 18.3472 179.3752 65 I 3.7156 8.1797 118.8140 64.5264 36.8866 178.7207 66 R 3.8523 8.2296 119.1442 59.9633 30.0275 177.3262 67 Y 3.8898 7.8124 118.6792 60.3728 38.8300 176.0697 68 Y 4.3818 8.0631 119.5961 59.5795 38.8013 177.6548 69 G 4.5431 8.3902 106.1712 46.2848 0.0000 173.9294 70 I 3.6502 8.6058 121.9440 63.9497 37.9709 177.6044 71 D 4.3646 8.1549 118.2318 57.5554 40.9860 178.4367 72 K 4.0317 8.0235 118.1847 59.4593 32.0815 179.1901 73 I 3.7181 8.4749 120.4052 64.5052 36.9316 177.9915 74 N 4.3326 8.8011 117.4778 56.7040 38.4397 177.3717 75 E 4.0763 8.4011 119.6829 59.2631 29.4355 179.5954 76 I 3.8765 8.4845 120.6709 64.3024 37.0621 178.5593 77 V 3.5626 8.2430 119.1616 65.2121 31.3304 177.7657 78 E 4.1860 8.2002 120.9586 57.9906 29.3391 179.1681 79 A 3.9007 7.9107 120.7083 55.6322 18.4854 179.2831 80 M 4.1334 8.3569 117.6026 58.9917 31.7871 179.0579 81 S 4.3403 8.2476 112.8830 60.2601 63.2529 175.1525 82 E 4.5036 7.9548 120.4943 55.3416 29.5672 176.1385 83 G 3.8065 8.3852 106.9669 45.9298 0.0000 173.5330 84 D 4.4937 7.9391 118.9017 52.7992 43.2643 173.5565 85 H 4.7541 8.3894 121.6450 54.2373 31.8323 171.3432 86 Y 4.8712 7.7467 115.3747 55.8727 40.5819 173.8202 87 I 3.9493 7.7030 119.2320 60.8899 40.3410 172.7835 88 N 5.0103 8.5893 123.6214 51.1059 39.5223 173.7225 89 F 4.9826 8.0023 112.3837 55.0599 40.6650 173.9959 90 T 4.6125 8.3462 111.7152 60.0103 70.9463 171.9349 91 K 4.6422 8.0271 121.1599 55.9771 37.7826 175.8052 92 V 4.3344 7.5024 113.8017 61.5946 32.3158 177.1908 93 H 4.4470 7.6401 117.2886 56.6006 29.4753 175.1189 94 D 4.7859 7.7188 118.0462 51.7519 45.6051 176.3857 95 Q 3.6881 8.7188 123.0334 59.3857 28.7192 178.7097 96 E 3.6837 7.9760 119.7681 59.3063 29.6206 178.6017 97 S 3.7227 8.1744 113.0149 60.6426 62.1462 175.9120 98 L 3.9271 7.5986 120.6960 58.0236 41.7129 179.0873 99 F 3.9837 8.0537 117.3969 60.3577 38.7181 177.5529 100 A 4.0712 8.0319 120.4214 55.6071 17.5030 179.8532 101 T 4.0146 8.2050 114.2900 66.5774 68.3573 177.1436 102 I 3.8980 7.8329 122.1123 64.4331 37.2372 178.6571 103 G 4.2556 8.1409 107.4083 47.3906 0.0000 175.2189 104 I 3.7183 8.0580 121.0671 64.1438 38.0118 177.5847 105 C 4.1405 7.9142 118.2258 62.0803 31.4049 175.3964 106 A 3.9799 8.1521 122.9213 54.8254 17.8449 179.5148 107 K 4.0557 8.2885 118.3113 59.2912 32.0444 179.3664 108 I 3.3473 7.0011 119.0840 64.3814 36.8582 178.1676 109 T 3.4691 7.2524 112.6628 64.6634 67.3149 175.7343 110 E 4.1312 7.7756 120.8087 59.3024 29.5219 178.4317 111 H 3.9175 7.4103 118.4697 58.7127 30.0156 176.7967 112 W 4.6488 7.8855 118.9397 58.9808 28.9089 178.5763 113 G 3.6960 8.2698 106.8659 47.9400 0.0000 174.9160 114 Y 4.5260 7.7373 117.7547 60.6166 37.8815 177.6909 115 K 4.3901 8.0659 114.0282 55.6580 33.6386 175.9684 116 K 3.9027 7.7485 117.5514 57.8390 29.3114 175.5206 117 I 3.7963 8.5493 119.8071 60.7015 38.2425 177.0727 118 S 4.5151 8.4850 128.4278 57.9199 62.5071 177.8670 119 E 3.9873 8.0708 123.7415 57.1469 27.6116 174.8882 120 S 4.4293 7.5586 116.3141 57.5335 62.5003 174.4081 121 R 4.0000 8.5320 125.9429 58.3968 30.2450 177.3362 122 F 4.5494 8.0554 119.2912 58.2530 40.4232 174.8706 123 Q 3.1636 7.5740 125.0090 57.1624 25.4076 174.2491 124 S 4.2828 7.9687 111.0164 59.2023 63.0788 172.2967 125 L 4.8326 7.1100 117.9244 55.1078 44.5523 175.7410 126 G 3.9937 8.4712 115.7941 46.9228 0.0000 174.9062 127 N 4.6397 9.2211 124.6327 52.1846 37.8916 173.8100 128 I 4.3306 7.9438 113.8565 62.4857 39.8938 178.8127 129 T 4.0463 7.7317 111.9418 63.5483 69.0630 175.5311 130 D 4.6514 7.9588 119.0951 54.9629 41.0330 176.5284 131 L 4.1896 7.3591 120.1536 56.2949 42.3489 175.3156 132 M 4.9414 7.6835 114.0794 54.1432 34.6861 173.9142 133 T 4.7182 7.9158 106.7858 58.8976 71.8089 174.0695 134 D 4.5282 8.7955 121.4722 57.9565 40.8257 178.4214 135 D 4.3348 7.9384 118.3829 56.9392 41.1806 177.5696 136 N 4.5103 8.5958 118.1868 56.2183 38.9733 176.8895 137 I 3.7663 7.6691 121.0261 64.4475 37.1833 177.8707 138 N 4.3805 7.9271 116.9497 56.4011 38.3980 177.5497 139 I 3.7904 7.3921 119.8138 64.1438 37.1185 178.2351 140 L 4.0713 8.4540 121.5364 58.3934 42.0156 178.8176 141 I 3.7224 8.2948 120.0463 64.5881 36.5636 178.4243 142 L 4.1421 7.9700 119.4520 57.7816 41.3017 179.1645 143 F 4.1637 8.7322 119.4855 61.4944 39.5482 176.8804 144 L 4.1928 8.4481 118.5816 57.9299 41.2562 179.2032 145 E 3.4233 8.4644 117.6078 59.2589 29.3676 178.9897 146 K 3.9310 7.3207 117.2498 58.8546 32.1926 177.6136 147 K 4.4195 7.6317 114.4570 56.1953 34.4922 176.1819 148 L 4.2143 8.4154 119.6543 54.4651 42.8112 176.4412 149 N 4.6208 8.6936 116.9247 54.3521 39.6212 173.6045 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.38 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 A 8.01 4.16 1.22 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 3 T 8.35 4.34 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 1.20 0.00 0.00 4 K 7.82 4.26 0.00 1.68 1.64 0.00 1.93 0.00 0.00 1.69 0.00 0.00 3.33 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.52 7.81 5 L 8.34 3.82 0.00 1.31 0.55 0.77 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.15 4.59 0.00 2.85 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 7 Y 8.13 4.47 0.00 3.26 3.29 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 8 E 8.14 4.60 0.00 1.99 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 2.32 2.41 0.00 9 D 8.36 4.38 0.00 2.82 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 10 A 7.94 3.66 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 11 V 6.83 3.53 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 0.27 0.00 0.00 0.82 0.00 0.00 12 F 6.00 4.68 0.00 3.02 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 13 Y 9.25 4.18 0.00 2.52 1.76 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 14 F 6.58 4.25 0.00 3.22 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 15 V 6.86 2.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 -0.01 0.00 0.00 16 D 7.30 4.82 0.00 2.38 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 0.00 0.00 0.00 0.00 17 D 7.64 4.23 0.00 2.78 2.66 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 0.00 0.00 0.00 0.00 18 D 8.30 4.86 0.00 2.78 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 19 K 7.62 4.69 0.00 1.87 1.72 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.61 1.34 7.81 20 I 8.24 3.89 1.95 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 1.43 0.69 0.92 0.00 0.00 21 C 8.10 4.84 0.00 2.88 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 22 S 8.20 4.40 0.00 3.85 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 23 R 8.67 3.89 0.00 1.90 1.97 0.00 3.25 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 24 D 7.97 4.49 0.00 2.60 2.66 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 0.00 0.00 0.00 0.00 25 S 7.80 4.13 0.00 3.79 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 26 I 7.30 3.90 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.93 0.88 0.00 0.00 27 I 7.35 3.74 2.06 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 1.83 0.72 0.92 0.00 0.00 28 D 7.95 4.60 0.00 2.96 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 29 L 7.79 4.30 0.00 1.68 1.75 1.26 0.77 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 30 I 7.52 3.61 1.91 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 1.54 0.90 0.98 0.00 0.00 31 D 8.05 4.38 0.00 2.80 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 32 E 8.81 4.26 0.00 2.53 2.43 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 2.89 3.13 0.00 33 Y 8.87 3.68 0.00 2.64 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 34 I 8.03 3.74 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.00 0.90 0.00 0.00 35 T 8.06 4.18 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 1.29 0.00 0.00 36 W 8.54 3.82 0.00 2.23 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 37 R 8.35 3.29 0.00 1.72 1.72 0.00 3.34 0.00 0.00 2.80 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.54 0.00 38 N 7.31 4.24 0.00 2.76 3.00 0.00 0.00 7.44 7.89 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 39 H 8.37 4.08 0.00 3.24 3.19 0.00 5.69 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 40 V 7.43 3.56 1.65 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 0.76 0.00 0.00 -0.19 0.00 0.00 41 I 7.81 4.03 1.87 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 1.47 0.87 0.19 0.00 0.00 42 V 7.76 3.86 2.36 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 0.88 0.00 0.00 1.20 0.00 0.00 43 F 8.55 4.20 0.00 3.24 3.44 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 0.00 44 N 7.81 5.11 0.00 3.09 2.93 0.00 0.00 7.54 6.78 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 45 K 7.39 4.76 0.00 1.73 1.48 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.92 1.75 7.81 46 D 8.39 4.88 0.00 2.67 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 47 I 8.36 3.70 1.82 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.05 0.96 0.00 0.00 48 T 8.87 4.27 4.31 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 1.32 0.00 0.00 49 S 7.54 4.49 0.00 4.11 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 0.00 50 C 7.29 4.45 0.00 2.56 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 0.00 0.00 0.00 0.00 51 G 7.53 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 52 R 8.49 3.82 0.00 1.88 1.96 0.00 3.25 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 53 L 8.15 3.94 0.00 1.67 1.73 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.65 3.89 0.00 2.98 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 55 K 7.74 4.03 0.00 1.78 1.88 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.70 1.62 7.81 56 E 7.75 4.01 0.00 2.11 1.80 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 2.63 2.62 0.00 57 L 7.01 2.00 0.00 0.58 0.13 0.24 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 58 M 7.39 4.25 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.03 2.76 0.00 59 K 7.74 4.26 0.00 1.99 1.97 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.47 1.61 7.81 60 F 7.87 4.67 0.00 2.99 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.07 4.39 0.00 2.88 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 62 D 8.00 4.38 0.00 2.89 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 63 V 8.12 3.75 2.32 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 0.78 0.00 0.00 0.99 0.00 0.00 64 A 7.99 3.80 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 65 I 8.18 3.72 2.09 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 1.46 0.96 0.97 0.00 0.00 66 R 8.23 3.85 0.00 1.83 2.11 0.00 3.23 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 Y 7.81 3.89 0.00 2.91 1.94 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 68 Y 8.06 4.38 0.00 3.13 2.95 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 0.00 0.00 0.00 69 G 8.39 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 0.00 0.00 0.00 0.00 70 I 8.61 3.65 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.94 0.00 0.00 71 D 8.15 4.36 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.03 0.00 2.20 1.88 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.58 7.81 73 I 8.47 3.72 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.22 0.94 0.00 0.00 74 N 8.80 4.33 0.00 2.96 2.91 0.00 0.00 7.13 8.14 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 75 E 8.40 4.08 0.00 2.30 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 2.40 2.66 0.00 76 I 8.48 3.88 2.21 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.87 0.90 0.00 0.00 77 V 8.24 3.56 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 0.72 0.00 0.00 0.76 0.00 0.00 78 E 8.20 4.19 0.00 2.06 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 2.34 2.34 0.00 79 A 7.91 3.90 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 80 M 8.36 4.13 0.00 2.48 2.59 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.93 0.00 81 S 8.25 4.34 0.00 4.15 4.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.95 4.50 0.00 1.96 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 2.27 2.34 0.00 83 G 8.39 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 84 D 7.94 4.49 0.00 2.54 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 85 H 8.39 4.75 0.00 3.24 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.75 4.87 0.00 2.91 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 87 I 7.70 3.95 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.34 0.97 0.00 0.00 88 N 8.59 5.01 0.00 2.75 2.76 0.00 0.00 5.77 7.43 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 89 F 8.00 4.98 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 90 T 8.35 4.61 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 0.92 0.00 0.00 91 K 8.03 4.64 0.00 1.85 1.67 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.52 7.81 92 V 7.50 4.33 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 0.73 0.00 0.00 0.86 0.00 0.00 93 H 7.64 4.45 0.00 3.12 3.23 0.00 5.85 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 94 D 7.72 4.79 0.00 2.76 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 95 Q 8.72 3.69 0.00 1.88 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.99 6.95 0.00 0.00 0.00 0.00 0.00 1.25 1.87 0.00 96 E 7.98 3.68 0.00 1.99 1.97 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 2.57 2.36 0.00 97 S 8.17 3.72 0.00 3.59 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.60 3.93 0.00 1.59 1.81 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.05 3.98 0.00 2.72 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 0.00 0.00 0.00 0.00 100 A 8.03 4.07 1.06 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 0.00 0.00 101 T 8.20 4.01 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 1.23 0.00 0.00 102 I 7.83 3.90 2.16 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 1.50 0.50 0.99 0.00 0.00 103 G 8.14 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 0.00 0.00 0.00 0.00 104 I 8.06 3.72 2.13 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 1.07 1.09 0.95 0.00 0.00 105 C 7.91 4.14 0.00 3.13 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 0.00 106 A 8.15 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 0.00 107 K 8.29 4.06 0.00 1.94 1.75 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.62 7.81 108 I 7.00 3.35 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.90 -0.06 0.00 0.00 109 T 7.25 3.47 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 1.17 0.00 0.00 110 E 7.78 4.13 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.11 0.00 111 H 7.41 3.92 0.00 3.19 3.40 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 7.89 4.65 0.00 3.42 3.26 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 0.00 113 G 8.27 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 0.00 114 Y 7.74 4.53 0.00 2.96 2.94 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 0.00 115 K 8.07 4.39 0.00 1.84 1.91 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.51 7.81 116 K 7.75 3.90 0.00 1.95 1.89 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.40 7.81 117 I 8.55 3.80 1.69 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 1.19 0.68 0.75 0.00 0.00 118 S 8.48 4.52 0.00 3.18 3.55 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 0.00 0.00 0.00 0.00 119 E 8.07 3.99 0.00 2.06 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 2.23 2.19 0.00 120 S 7.56 4.43 0.00 3.79 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 0.00 121 R 8.53 4.00 0.00 1.84 2.01 0.00 3.34 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 122 F 8.06 4.55 0.00 2.91 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 0.00 123 Q 7.57 3.16 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.92 0.00 0.00 0.00 0.00 0.00 1.79 1.21 0.00 124 S 7.97 4.28 0.00 3.90 3.86 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 0.00 125 L 7.11 4.83 0.00 1.78 1.69 0.95 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.47 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 0.00 127 N 9.22 4.64 0.00 2.72 2.81 0.00 0.00 6.65 7.44 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 0.00 128 I 7.94 4.33 1.90 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 1.67 0.97 0.92 0.00 0.00 129 T 7.73 4.05 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 1.28 0.00 0.00 130 D 7.96 4.65 0.00 2.68 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 0.00 131 L 7.36 4.19 0.00 1.65 1.87 0.98 0.90 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 0.00 132 M 7.68 4.94 0.00 2.05 2.02 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 2.69 2.51 0.00 133 T 7.92 4.72 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 1.22 0.00 0.00 134 D 8.80 4.53 0.00 2.81 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 0.00 135 D 7.94 4.33 0.00 2.80 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 0.00 136 N 8.60 4.51 0.00 2.83 2.88 0.00 0.00 7.09 8.12 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 0.00 137 I 7.67 3.77 2.02 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 1.75 0.24 0.95 0.00 0.00 138 N 7.93 4.38 0.00 2.94 2.88 0.00 0.00 7.22 7.10 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 0.00 139 I 7.39 3.79 2.14 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 1.37 0.63 0.95 0.00 0.00 140 L 8.45 4.07 0.00 1.97 1.77 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.29 3.72 2.06 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 1.75 0.77 1.00 0.00 0.00 142 L 7.97 4.14 0.00 2.05 1.80 1.14 1.08 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 0.00 143 F 8.73 4.16 0.00 3.40 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.45 4.19 0.00 1.92 1.73 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.46 3.42 0.00 2.14 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 2.36 2.60 0.00 146 K 7.32 3.93 0.00 1.64 1.75 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.39 7.81 147 K 7.63 4.42 0.00 1.63 1.76 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.37 7.81 148 L 8.42 4.21 0.00 1.65 1.63 0.92 0.98 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 0.00 149 N 8.69 4.62 0.00 2.84 2.84 0.00 0.00 6.75 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00