NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2547 8.2644 123.5792 52.4774 18.5503 175.9619 3 R 4.1608 8.2889 119.4280 56.3656 30.1865 174.5070 4 R 4.4381 7.9870 113.4114 56.1661 34.5536 174.6938 5 R 4.5693 7.6231 120.1377 54.6394 32.7140 178.3645 6 R 3.9934 8.3923 122.5566 56.3334 28.9368 176.8766 7 A 3.6933 7.6886 120.9158 53.4037 18.2218 177.7610 8 E 4.6908 8.6671 108.2037 57.5600 31.7999 174.5396 9 V 3.1502 6.9405 117.0332 61.0982 31.0719 175.2319 10 R 3.8857 8.4648 128.6006 56.0856 30.0509 175.9141 11 Q 4.1059 8.5738 127.3661 56.1211 30.0430 176.9929 12 L 4.3763 8.2033 127.9596 54.6151 42.5748 176.0986 13 Q 4.3580 8.4328 123.8742 54.9302 31.3435 173.5215 14 P 4.3392 0.0000 0.0000 62.8324 32.0361 175.7958 15 D 4.5541 8.8131 122.2898 54.9916 41.8612 176.2628 16 L 4.9404 8.0407 120.3854 53.5931 42.0989 176.9061 17 V 4.3432 7.6159 118.3393 64.1782 38.9977 173.7016 18 Y 4.1763 8.0318 114.2790 56.7308 38.7550 176.1467 19 G 4.5132 8.0749 107.1089 45.5852 0.0000 171.6370 20 D 4.7309 7.5709 118.5100 52.1614 45.1282 175.9259 21 V 3.6385 8.6589 120.6163 64.6646 31.8197 178.3031 22 L 4.1072 8.0031 119.5245 58.2392 41.7836 179.4193 23 V 3.7980 7.9937 118.1068 66.1238 31.3736 177.9200 24 T 3.9025 8.0220 108.9020 64.8310 68.7176 175.6121 25 A 4.0338 8.0919 123.9007 55.3180 18.1686 179.3729 26 F 4.6258 8.3831 117.4883 61.3545 39.6545 177.3622 27 I 3.7845 7.8546 119.5716 64.2243 37.0809 177.8414 28 N 4.3786 9.7104 117.1899 56.1772 38.0804 177.0916 29 K 4.5265 8.2873 117.4357 56.7893 32.4695 177.7379 30 I 4.3581 7.3944 119.0380 60.6193 39.1621 175.4182 31 M 4.0932 8.0825 120.2903 55.5775 32.6375 175.9453 32 R 4.7615 8.1002 119.4148 54.9300 31.1099 172.9583 33 D 4.7908 8.5368 117.5810 53.5945 39.0209 175.4808 34 G 3.8143 7.9896 104.1473 47.3567 0.0000 174.5674 35 K 4.5770 7.1623 112.6360 58.1034 33.7141 180.3895 36 K 4.3256 7.7227 120.6145 59.1059 33.0124 175.7567 37 N 4.1565 8.2279 117.1254 56.7805 38.6027 175.7710 38 L 3.8308 7.9186 120.1352 58.4694 42.3539 178.3196 39 A 3.9911 8.0728 119.3348 55.3597 18.3422 179.0075 40 A 3.5214 8.2121 118.9653 55.3793 18.0899 179.7559 41 R 3.8417 7.5910 115.7208 59.7422 29.9973 178.9663 42 I 3.8381 7.4763 117.7259 65.1958 37.1959 177.4508 43 F 3.9705 8.1274 119.3076 61.2125 39.3100 175.9830 44 Y 4.7731 8.1456 114.9960 61.5264 39.2087 177.2118 45 D 5.2340 9.3272 119.1300 52.9082 37.3322 173.6669 46 A 4.4786 7.4804 131.7442 52.1285 24.7855 178.6881 47 C 4.2117 8.7168 112.7296 62.9957 28.3995 175.9558 48 K 4.0973 8.3737 119.5542 60.0792 31.5963 179.0896 49 I 3.8368 7.7595 118.9821 64.2448 36.9767 178.0456 50 I 3.8761 8.1627 120.5421 63.3032 36.7289 176.9940 51 Q 4.8059 7.7357 115.1770 54.1464 30.9319 175.5516 52 E 3.9785 8.2440 119.7356 58.0514 29.0460 176.8030 53 K 4.3493 8.4337 118.6968 56.3012 32.5475 176.7603 54 T 4.0524 7.0336 111.4442 62.2366 70.2672 172.0870 55 G 4.1747 8.5958 112.6387 45.3236 0.0000 171.9692 56 Q 4.5976 7.7349 116.2987 53.4683 33.0804 176.1808 57 E 4.3095 8.9555 117.0874 55.8115 28.4134 176.5069 58 P 3.6816 0.0000 0.0000 64.0500 33.0599 177.9709 59 L 3.8702 7.9847 120.8568 58.1352 42.4139 179.5147 60 K 4.0093 8.2133 119.9724 59.4168 32.1662 179.0160 61 V 3.6774 7.6972 118.6026 65.7070 31.1137 177.5657 62 F 4.0958 8.0911 119.8551 60.5995 39.6976 176.3312 63 K 3.8127 8.1895 119.2021 59.6225 31.9665 178.0414 64 Q 3.8396 7.8665 118.8238 58.9787 29.2769 178.5151 65 A 4.4053 7.5256 120.4415 51.3817 18.3745 177.4768 66 V 4.2192 7.0186 121.3314 65.1243 38.2222 175.7562 67 E 3.8832 7.9298 119.5605 59.1083 29.6859 177.4727 68 N 4.4175 8.2691 115.8535 56.0613 38.6949 176.2947 69 V 3.8491 7.4478 115.9444 64.3297 32.0866 174.7151 70 K 3.7560 8.0887 119.4601 55.7637 31.4495 174.6421 71 P 4.4589 0.0000 0.0000 62.1739 31.1297 176.0986 72 R 4.0162 8.6110 125.2483 59.3982 30.0068 175.4974 73 M 5.0194 7.7696 113.5870 54.2503 36.9719 173.1702 74 E 4.9651 9.1044 116.9431 56.0759 33.6494 173.9056 75 V 5.0565 8.2563 111.9770 60.0095 35.7088 175.9637 76 R 4.6336 8.9642 120.3317 54.9883 34.7548 174.9050 77 S 4.3103 8.9662 119.8351 58.7062 63.0399 173.3085 78 R 4.1670 8.8345 128.0936 53.9396 31.7881 174.8485 79 R 3.7251 8.3601 127.2746 56.3975 30.7085 176.0011 80 V 3.5957 8.3984 124.0607 64.1973 32.7177 173.4931 81 G 2.9700 8.7139 105.6112 48.3013 0.0000 172.7175 82 G 3.8535 8.6194 115.2768 44.7227 0.0000 171.9924 83 A 4.0146 6.9770 121.0389 52.0851 21.1935 175.2813 84 N 4.5656 8.3623 117.9271 52.1099 37.8721 174.3160 85 Y 4.3313 7.7587 121.4662 57.2118 38.9349 175.1386 86 Q 4.7339 8.6621 124.9673 54.6322 28.4352 175.3262 87 V 3.7776 8.7925 124.5250 62.7850 32.6057 173.2386 88 P 5.1456 0.0000 0.0000 62.8299 32.2821 175.3266 89 M 4.7056 9.0451 119.3733 54.2972 34.8144 173.9274 90 E 4.4064 8.8699 119.5190 56.6039 30.6432 176.4356 91 V 4.3365 7.7747 122.6788 61.1024 32.7063 176.2071 92 S 4.3485 8.7499 122.6258 57.5443 63.6743 173.2968 93 P 4.2821 0.0000 0.0000 67.0311 30.7759 177.8316 94 R 3.9297 8.1588 117.2110 58.6701 29.8116 178.2349 95 R 3.8616 8.1861 119.8545 59.5543 30.1256 178.7463 96 Q 3.8478 8.1023 119.2384 60.0362 29.3682 177.5638 97 Q 3.8058 8.6667 120.5916 58.5666 28.7572 179.1754 98 S 3.9248 8.2516 115.1780 61.2652 63.1987 176.8335 99 L 3.0687 7.5664 121.5619 57.5084 41.2592 179.6430 100 A 3.8975 7.6245 120.2803 55.1213 18.1213 179.4720 101 L 4.0358 7.7494 115.7307 58.7971 42.0933 178.9271 102 R 3.8931 8.2700 118.9867 58.2925 29.7799 178.0583 103 W 4.6468 8.1003 117.9538 60.1994 29.4842 178.2343 104 L 4.0719 8.1124 118.5783 58.8560 41.0834 179.2611 105 V 3.6075 8.1091 116.9333 66.1522 31.0667 177.8335 106 Q 3.8764 8.1001 117.7681 59.9239 29.0077 179.3322 107 A 3.7219 8.8673 119.5172 55.5877 18.6216 178.8367 108 A 4.1931 8.5126 116.8672 55.1370 18.6561 181.4735 109 N 4.9010 8.2574 113.5349 52.7420 38.8844 176.0601 110 Q 4.5630 8.7728 116.3687 55.5800 31.5759 174.6983 111 R 4.6140 7.7560 116.7449 53.7554 31.9561 175.8655 112 P 4.1972 0.0000 0.0000 65.3274 31.1232 176.1605 113 E 4.1096 7.4169 118.3294 56.9845 29.6056 176.6421 114 R 4.6355 8.3112 115.1193 55.9954 32.1509 176.2956 115 R 4.5544 7.6581 117.0648 53.3955 34.4690 175.1707 116 A 3.9321 9.1087 124.9248 55.5104 17.0733 179.2176 117 A 4.0190 8.0952 118.4198 55.8476 18.3723 179.9810 118 V 3.7373 7.8490 109.5873 63.3416 31.6873 179.0814 119 R 3.9090 7.6469 117.9277 59.2268 30.4790 178.6566 120 I 3.9730 7.8584 119.0076 64.7086 36.9941 176.9080 121 A 4.3757 7.8061 123.0811 53.0369 18.1703 178.8789 122 H 4.0345 8.5293 112.5601 58.9777 28.9113 176.8144 123 E 3.8359 8.7158 120.3208 59.9526 29.3823 178.7681 124 L 3.9943 7.8676 116.9264 58.2597 41.7783 179.4754 125 M 3.9967 8.1315 117.6701 59.0254 32.2199 178.1904 126 D 4.4795 8.3847 118.6057 56.9181 40.9226 178.7539 127 A 3.9687 8.2648 121.8143 55.0116 18.2783 179.3228 128 A 4.0971 8.3193 117.7160 54.0753 18.4635 178.2383 129 E 4.3844 7.7900 115.0507 55.3674 30.7908 175.7955 130 G 3.9347 9.4664 106.5656 45.4816 0.0000 174.0582 131 K 4.4909 8.1972 116.2607 55.2730 32.9533 176.0454 132 G 4.0795 7.5027 108.4960 44.3087 0.0000 175.1508 133 G 3.6977 8.6125 106.5443 46.8994 0.0000 174.3647 134 A 4.3736 7.8165 122.0607 52.9430 20.0559 179.3174 135 V 3.7515 7.5268 115.6431 65.3979 31.9612 177.5202 136 K 4.7860 7.7321 116.7647 56.2852 31.7912 177.2278 137 K 4.0383 8.0477 116.8033 57.5782 34.3079 178.3285 138 K 3.6486 7.4728 118.9145 59.8290 31.6947 178.0764 139 E 4.0055 8.1510 117.8548 60.3298 29.4476 178.6425 140 D 4.3232 8.0838 117.6641 57.7528 40.6370 178.8714 141 V 3.6310 8.2929 120.5459 65.6195 31.6062 177.9733 142 E 4.1222 8.7073 119.9357 59.4363 29.8648 178.6501 143 R 3.9601 9.4924 117.6921 59.1808 29.9997 178.9363 144 M 4.1084 8.0518 118.7020 57.5028 32.0610 176.6760 145 A 4.3665 6.7694 120.6013 53.4127 19.4260 176.5281 146 E 4.3903 9.0185 124.4240 56.7146 27.5273 177.1917 147 A 3.9486 7.3713 118.8222 55.4829 18.6489 178.3475 148 N 4.8978 8.2539 111.2622 53.3656 38.3366 177.1857 149 R 3.9075 7.9322 121.3604 59.2805 29.5528 178.3569 150 A 3.7069 7.5572 119.3059 55.1642 18.5215 178.2256 151 Y 3.9238 7.1353 111.2022 58.0222 38.3315 176.6306 152 A 4.1602 7.5324 124.2563 55.7574 18.6188 180.3960 153 H 4.7411 8.1483 108.2865 56.2885 27.5812 174.9675 154 Y 5.1235 8.7280 116.6122 58.5173 38.8881 177.7268 155 R 3.8362 8.8409 123.1856 58.0346 30.2911 176.1708 156 W 4.2375 7.7479 118.5289 56.8217 30.2114 174.1191 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 4.25 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 3 R 8.29 4.16 0.00 1.85 1.93 0.00 3.17 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 4 R 7.99 4.44 0.00 1.78 1.72 0.00 3.24 0.00 0.00 3.22 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 5 R 7.62 4.57 0.00 1.76 1.83 0.00 3.25 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 6 R 8.39 3.99 0.00 1.74 1.89 0.00 3.36 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 7 A 7.69 3.69 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 8 E 8.67 4.69 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 9 V 6.94 3.15 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 0.92 0.00 0.00 10 R 8.46 3.89 0.00 1.81 1.85 0.00 3.30 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 11 Q 8.57 4.11 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 12 L 8.20 4.38 0.00 1.70 1.60 1.01 0.89 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 13 Q 8.43 4.36 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 14 P 0.00 4.34 0.00 2.09 2.03 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 15 D 8.81 4.55 0.00 2.82 2.76 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 16 L 8.04 4.94 0.00 1.68 1.62 0.93 0.81 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 17 V 7.62 4.34 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 0.04 0.00 0.00 0.45 0.00 0.00 18 Y 8.03 4.18 0.00 2.86 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 19 G 8.07 4.51 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 0.00 20 D 7.57 4.73 0.00 2.73 2.54 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 21 V 8.66 3.64 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 0.82 0.00 0.00 0.98 0.00 0.00 22 L 8.00 4.11 0.00 1.85 2.00 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.99 3.80 2.39 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 0.92 0.00 0.00 0.94 0.00 0.00 24 T 8.02 3.90 4.28 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 1.41 0.00 0.00 25 A 8.09 4.03 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 26 F 8.38 4.63 0.00 3.29 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 27 I 7.85 3.78 1.99 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 2.04 0.88 0.84 0.00 0.00 28 N 9.71 4.38 0.00 2.90 2.87 0.00 0.00 7.11 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 29 K 8.29 4.53 0.00 1.69 1.83 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.66 7.81 30 I 7.39 4.36 1.83 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.34 0.76 0.00 0.00 31 M 8.08 4.09 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 32 R 8.10 4.76 0.00 1.76 1.77 0.00 3.23 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.43 0.00 33 D 8.54 4.79 0.00 2.72 3.10 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 34 G 7.99 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 35 K 7.16 4.58 0.00 1.77 1.75 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.36 7.81 36 K 7.72 4.33 0.00 1.81 1.73 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 37 N 8.23 4.16 0.00 2.85 2.79 0.00 0.00 6.68 6.66 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 38 L 7.92 3.83 0.00 1.54 1.93 0.90 1.00 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 39 A 8.07 3.99 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 40 A 8.21 3.52 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.59 3.84 0.00 2.00 2.02 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 42 I 7.48 3.84 1.90 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 1.37 0.70 0.86 0.00 0.00 43 F 8.13 3.97 0.00 2.79 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 44 Y 8.15 4.77 0.00 3.29 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 45 D 9.33 5.23 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.48 4.48 1.53 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 0.00 0.00 47 C 8.72 4.21 0.00 3.20 3.25 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 48 K 8.37 4.10 0.00 1.87 1.95 0.00 1.94 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.85 7.81 49 I 7.76 3.84 2.12 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 1.71 1.04 0.98 0.00 0.00 50 I 8.16 3.88 2.15 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.49 1.00 0.00 0.00 51 Q 7.74 4.81 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.60 2.45 0.00 52 E 8.24 3.98 0.00 2.19 1.82 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 2.33 2.45 0.00 53 K 8.43 4.35 0.00 1.82 1.82 0.00 1.94 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.45 7.81 54 T 7.03 4.05 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 55 G 8.60 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 56 Q 7.73 4.60 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 57 E 8.96 4.31 0.00 2.21 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 0.00 2.36 2.36 0.00 58 P 0.00 3.68 0.00 2.47 2.10 0.00 3.72 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 59 L 7.98 3.87 0.00 1.59 1.74 1.08 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.21 4.01 0.00 1.97 1.92 0.00 1.72 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.51 7.81 61 V 7.70 3.68 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 0.96 0.00 0.00 1.03 0.00 0.00 62 F 8.09 4.10 0.00 2.85 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 63 K 8.19 3.81 0.00 1.94 1.97 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.48 7.81 64 Q 7.87 3.84 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 65 A 7.53 4.41 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.02 4.22 1.75 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 0.76 0.00 0.00 -0.07 0.00 0.00 67 E 7.93 3.88 0.00 1.89 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 2.29 0.00 68 N 8.27 4.42 0.00 2.80 2.88 0.00 0.00 6.97 8.47 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 69 V 7.45 3.85 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.94 0.00 0.00 70 K 8.09 3.76 0.00 1.91 2.08 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.53 7.81 71 P 0.00 4.46 0.00 2.54 2.45 0.00 3.80 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 72 R 8.61 4.02 0.00 1.97 2.07 0.00 3.10 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 73 M 7.77 5.02 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 74 E 9.10 4.97 0.00 2.11 2.17 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 2.27 2.37 0.00 75 V 8.26 5.06 2.15 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 0.81 0.00 0.00 0.99 0.00 0.00 76 R 8.96 4.63 0.00 1.86 1.94 0.00 3.22 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 77 S 8.97 4.31 0.00 3.90 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 78 R 8.83 4.17 0.00 1.28 1.68 0.00 2.42 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.03 0.00 79 R 8.36 3.73 0.00 1.66 1.65 0.00 3.28 0.00 0.00 3.04 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 80 V 8.40 3.60 1.64 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 0.69 0.00 0.00 0.80 0.00 0.00 81 G 8.71 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 0.00 0.00 0.00 82 G 8.62 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 83 A 6.98 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.36 4.57 0.00 2.64 2.75 0.00 0.00 6.97 7.46 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 85 Y 7.76 4.33 0.00 2.99 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 86 Q 8.66 4.73 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 87 V 8.79 3.78 2.30 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 1.19 0.00 0.00 1.08 0.00 0.00 88 P 0.00 5.15 0.00 2.03 2.01 0.00 3.87 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 89 M 9.05 4.71 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 90 E 8.87 4.41 0.00 1.90 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 2.34 2.34 0.00 91 V 7.77 4.34 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 0.78 0.00 0.00 1.05 0.00 0.00 92 S 8.75 4.35 0.00 4.03 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 93 P 0.00 4.28 0.00 2.27 2.35 0.00 3.69 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 2.06 2.06 0.00 94 R 8.16 3.93 0.00 1.85 1.87 0.00 3.13 0.00 0.00 3.25 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 95 R 8.19 3.86 0.00 1.82 1.92 0.00 3.10 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 96 Q 8.10 3.85 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 97 Q 8.67 3.81 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.29 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 98 S 8.25 3.92 0.00 3.82 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 99 L 7.57 3.07 0.00 1.49 0.26 0.85 0.36 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 0.00 100 A 7.62 3.90 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 0.00 101 L 7.75 4.04 0.00 1.82 1.91 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.27 3.89 0.00 1.77 1.58 0.00 3.00 0.00 0.00 3.19 7.99 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 W 8.10 4.65 0.00 3.52 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 0.00 104 L 8.11 4.07 0.00 2.13 2.01 0.94 0.79 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 0.00 105 V 8.11 3.61 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 1.20 0.00 0.00 1.18 0.00 0.00 106 Q 8.10 3.88 0.00 2.38 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 107 A 8.87 3.72 1.50 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 0.00 0.00 108 A 8.51 4.19 1.50 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 0.00 0.00 109 N 8.26 4.90 0.00 2.81 2.86 0.00 0.00 6.99 8.44 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 0.00 110 Q 8.77 4.56 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.58 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 111 R 7.76 4.61 0.00 1.96 2.15 0.00 3.18 0.00 0.00 3.51 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 112 P 0.00 4.20 0.00 2.18 2.21 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 113 E 7.42 4.11 0.00 1.92 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 2.36 2.43 0.00 114 R 8.31 4.64 0.00 1.75 1.91 0.00 3.19 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 115 R 7.66 4.55 0.00 1.80 1.75 0.00 3.16 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 116 A 9.11 3.93 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 0.00 117 A 8.10 4.02 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 0.00 118 V 7.85 3.74 1.86 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 0.84 0.00 0.00 0.91 0.00 0.00 119 R 7.65 3.91 0.00 1.84 2.01 0.00 3.44 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 120 I 7.86 3.97 1.85 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 1.70 1.31 0.89 0.00 0.00 121 A 7.81 4.38 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 0.00 122 H 8.53 4.03 0.00 3.24 3.41 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.72 3.84 0.00 2.15 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 2.57 2.50 0.00 124 L 7.87 3.99 0.00 2.13 1.77 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.13 4.00 0.00 2.20 2.06 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 2.62 2.60 0.00 126 D 8.38 4.48 0.00 2.89 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 0.00 127 A 8.26 3.97 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 0.00 128 A 8.32 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 7.79 4.38 0.00 2.20 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 2.23 2.29 0.00 130 G 9.47 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 0.00 131 K 8.20 4.49 0.00 1.78 1.82 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.33 1.38 7.81 132 G 7.50 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 0.00 0.00 0.00 133 G 8.61 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 0.00 134 A 7.82 4.37 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 0.00 135 V 7.53 3.75 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.95 0.00 0.00 136 K 7.73 4.79 0.00 1.75 1.74 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.48 7.81 137 K 8.05 4.04 0.00 1.43 0.74 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.20 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.00 1.12 7.81 138 K 7.47 3.65 0.00 1.92 1.96 0.00 1.98 0.00 0.00 1.68 0.00 0.00 3.40 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.64 1.65 7.81 139 E 8.15 4.01 0.00 1.98 1.98 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 2.39 2.54 0.00 140 D 8.08 4.32 0.00 2.79 2.57 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 0.00 141 V 8.29 3.63 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 0.99 0.00 0.00 0.84 0.00 0.00 142 E 8.71 4.12 0.00 2.23 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 2.41 0.00 143 R 9.49 3.96 0.00 2.14 1.97 0.00 3.17 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 144 M 8.05 4.11 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.85 0.00 145 A 6.77 4.37 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 0.00 146 E 9.02 4.39 0.00 2.14 2.30 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 2.25 2.21 0.00 147 A 7.37 3.95 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 0.00 148 N 8.25 4.90 0.00 2.91 3.05 0.00 0.00 6.72 6.96 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 0.00 149 R 7.93 3.91 0.00 1.92 1.97 0.00 3.25 0.00 0.00 3.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 150 A 7.56 3.71 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.14 3.92 0.00 2.88 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 0.00 152 A 7.53 4.16 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 0.00 153 H 8.15 4.74 0.00 3.29 3.35 0.00 5.47 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.73 5.12 0.00 3.11 2.76 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 0.00 155 R 8.84 3.84 0.00 1.89 2.12 0.00 3.40 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 156 W 7.75 4.24 0.00 3.47 3.04 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