NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3059 8.2644 123.5832 52.1249 19.9417 177.1265 3 R 4.0424 7.9478 121.9499 57.6032 30.7880 174.3847 4 R 4.1211 8.1184 117.6467 57.7031 31.4444 176.3147 5 R 4.1717 7.7991 120.4737 56.5382 31.3965 176.1865 6 R 4.1151 8.4578 119.1800 56.9763 30.2714 177.1931 7 A 3.5541 7.9835 119.0862 52.1447 17.8875 176.2309 8 E 4.5826 8.1399 115.7982 54.5889 32.4570 176.2531 9 V 3.8411 8.3267 126.2223 61.1681 30.0115 174.8927 10 R 3.8338 8.0692 124.6116 56.1859 30.6614 175.2106 11 Q 4.4359 8.3788 124.1407 54.6418 30.4136 174.6799 12 L 4.4679 8.2056 124.5909 53.1579 42.7527 176.1783 13 Q 4.1330 8.5866 125.5836 54.8026 29.7082 173.6135 14 P 4.2524 0.0000 0.0000 62.5568 32.1255 175.3772 15 D 4.6507 8.1955 120.6032 55.0817 41.5956 176.4333 16 L 4.9255 8.1485 119.8981 53.9890 42.6084 177.0988 17 V 4.5372 8.0244 118.7221 64.2461 38.8649 173.5245 18 Y 4.2127 8.9169 115.3635 57.4548 38.6082 176.2577 19 G 4.0013 8.3596 106.7178 46.1157 0.0000 172.3420 20 D 4.9007 7.9808 118.9567 52.1714 42.5905 177.0619 21 V 3.9326 8.5183 119.1893 62.7892 32.0072 176.8391 22 L 4.5371 7.8977 120.0607 56.2257 41.8223 177.7551 23 V 3.5593 7.7683 116.9278 64.5294 31.3002 177.1236 24 T 4.0989 7.6018 108.2134 64.5390 69.5367 176.3215 25 A 3.8371 8.0828 122.1497 54.8212 17.9453 178.8375 26 F 4.3529 8.1161 118.5590 61.1544 39.4536 177.7791 27 I 3.2617 6.8654 117.6098 64.2755 37.0065 177.7968 28 N 4.1529 8.6585 117.7537 56.4955 38.1508 177.3446 29 K 4.0056 7.4026 117.3232 58.5607 32.3111 177.7844 30 I 3.8571 7.6852 118.1333 61.3493 37.2676 175.5777 31 M 4.1557 7.4501 121.2920 54.5502 31.1136 175.1816 32 R 4.3511 8.2962 126.1533 55.8697 31.3729 176.8969 33 D 4.3916 9.1784 121.9215 55.0694 37.8332 174.5121 34 G 3.9165 8.2059 104.3503 46.5233 0.0000 175.7991 35 K 4.3029 7.2893 120.6143 54.6772 30.6865 177.3659 36 K 3.7360 8.0003 124.0687 58.5445 33.2901 178.7854 37 N 4.2529 8.2446 117.4878 56.7282 39.0052 175.9741 38 L 4.2735 7.9258 115.5015 55.9174 42.6475 176.8502 39 A 4.4665 7.3849 118.3607 54.8460 20.1410 178.9873 40 A 3.9383 8.3939 119.1143 54.9766 18.3097 179.8182 41 R 4.0046 7.9028 117.0533 59.8113 29.9942 178.4544 42 I 3.7024 7.8263 117.5890 64.5582 37.4208 177.3938 43 F 4.4865 7.9907 120.5786 61.9354 38.9012 176.9191 44 Y 4.1567 7.9155 115.7864 60.7770 37.4012 177.6845 45 D 4.4434 8.1825 118.4031 55.9922 41.1761 177.9277 46 A 4.2484 7.7959 122.0153 54.9631 18.9767 179.2145 47 C 3.5813 7.3258 115.1838 62.5725 26.6718 175.9905 48 K 4.2483 7.9497 118.5943 57.9327 31.8041 178.3725 49 I 4.1139 8.2253 119.9465 63.5544 37.5176 177.3161 50 I 4.0044 7.5854 121.4760 63.5575 37.0109 177.3937 51 Q 4.5843 8.1974 117.5585 57.3841 29.0536 178.0909 52 E 4.7130 7.2847 114.6323 55.7579 29.9136 177.1595 53 K 4.4171 7.6700 115.5688 55.7043 34.7661 175.2373 54 T 4.5631 7.8083 121.5584 61.8054 69.5215 173.5247 55 G 3.7313 8.7385 118.5095 47.8749 0.0000 173.2840 56 Q 3.9553 7.5517 119.7235 56.0527 29.2735 176.3317 57 E 4.3857 9.0649 121.5554 54.5880 30.2031 173.7161 58 P 4.7859 0.0000 0.0000 62.7011 29.8882 173.9019 59 L 4.7316 8.1028 126.3491 57.1291 49.4127 177.2318 60 K 4.2555 7.7822 116.0458 57.8662 32.3854 178.5230 61 V 3.9306 7.9230 116.8087 63.8527 31.9708 175.7233 62 F 4.5285 7.8971 118.6318 60.5510 40.6579 176.6590 63 K 4.1019 8.5373 118.0813 58.1886 32.1742 177.1497 64 Q 4.3549 7.7314 118.3257 58.6925 29.9318 177.1579 65 A 4.1692 7.7753 120.9256 54.1446 18.5418 178.9172 66 V 3.6061 7.9583 115.6598 64.4877 31.5895 176.9445 67 E 4.2737 7.7885 118.0242 57.8119 29.6892 176.4336 68 N 4.8212 8.2026 114.5632 53.3645 38.6671 175.4653 69 V 4.2537 7.3915 117.2959 62.6715 33.6399 175.0684 70 K 3.9072 7.4174 118.6172 55.9212 31.5871 174.6991 71 P 4.6844 0.0000 0.0000 62.2455 31.9770 176.5713 72 R 4.0659 8.5970 124.2787 59.1854 30.2768 176.7601 73 M 4.9240 7.6713 115.1120 53.9129 36.2997 173.4199 74 E 5.0074 8.7100 120.7393 54.7977 33.5327 173.9823 75 V 4.8618 8.4668 111.7515 60.0970 34.0907 175.8334 76 R 4.7346 9.1623 124.5377 54.0874 32.3874 175.7266 77 S 4.6526 8.9098 119.0425 58.7722 64.0845 173.0398 78 R 4.2485 8.7027 121.0575 55.3310 33.8631 174.4201 79 R 4.5186 7.6631 119.9832 54.2884 31.4329 174.6617 80 V 3.3539 7.8790 126.1357 64.1355 31.2204 173.6655 81 G 2.8132 9.2443 105.7993 44.9366 0.0000 173.1079 82 G 3.8027 8.3613 115.4462 45.6698 0.0000 171.7403 83 A 4.0511 7.0864 123.7343 50.0723 19.9443 178.0145 84 N 4.8253 8.2296 124.2883 53.7953 38.7861 175.9966 85 Y 4.5677 7.5825 117.1323 57.3010 39.6064 176.4949 86 Q 4.7064 8.2925 124.7522 53.6278 27.7524 174.8338 87 V 3.8537 8.1061 126.8690 63.9565 32.9933 172.5503 88 P 5.3387 0.0000 0.0000 62.1691 33.4508 174.1891 89 M 4.5233 9.2863 117.5776 54.5266 34.8578 173.8734 90 E 4.3221 8.9196 119.5708 56.7914 30.1824 176.7610 91 V 4.3395 7.7887 118.6951 60.4405 34.2761 175.7022 92 S 4.1575 8.4886 121.1783 57.5944 63.3059 172.9103 93 P 4.2675 0.0000 0.0000 66.4616 30.9348 178.4473 94 R 3.9725 7.8580 116.8113 58.9465 30.1276 178.4347 95 R 3.8698 8.0276 117.7528 60.1921 29.9637 178.2691 96 Q 3.7239 8.3187 117.7768 58.9409 28.5952 179.4283 97 Q 3.8432 7.6043 118.8731 59.5560 28.9982 178.8171 98 S 3.9963 7.9161 115.2214 61.7213 62.9042 176.6645 99 L 3.1173 7.6460 121.1395 57.9923 41.1599 178.4686 100 A 4.0275 8.2432 121.0857 53.6771 18.0138 179.2459 101 L 3.9173 8.3060 115.4890 57.4832 42.2225 179.8612 102 R 3.8205 7.9963 118.2269 59.5461 30.0000 178.6040 103 W 4.5090 8.0962 118.4009 59.5992 28.8635 178.7158 104 L 4.0659 8.1684 119.2313 57.8469 41.1664 179.4740 105 V 3.6170 7.9916 118.0400 66.0852 31.3131 177.5842 106 Q 3.9677 8.2342 116.8827 59.2337 28.9089 179.0893 107 A 4.1490 8.2844 121.0209 55.2570 17.9036 179.1766 108 A 4.0382 8.2095 119.3265 55.6658 18.2451 179.4594 109 N 4.5687 8.4167 109.6941 54.6353 38.3127 176.0686 110 Q 4.4494 7.8948 120.7007 56.5377 30.6813 176.2897 111 R 3.9786 6.7763 116.3798 55.7390 30.9317 174.5738 112 P 4.5489 0.0000 0.0000 62.8959 31.5375 176.4340 113 E 4.1222 7.9586 119.4349 56.3128 29.6110 177.1054 114 R 4.2038 8.6928 123.9772 59.2114 32.0955 179.3082 115 R 4.1831 8.2053 113.0505 56.2103 28.5211 175.8743 116 A 4.2407 8.5799 135.0000 51.8347 26.3000 179.0571 117 A 4.0097 7.8751 115.9140 55.0973 18.3552 180.0427 118 V 3.6683 7.7984 110.0825 64.7323 31.6058 178.5189 119 R 4.2565 7.9774 117.4387 59.5005 29.9588 179.0801 120 I 3.8278 7.8443 118.4477 64.4571 37.2874 177.9341 121 A 4.0753 8.8858 122.5279 55.6742 18.1976 179.1800 122 H 4.1508 9.1690 115.2999 59.2959 28.9939 177.6477 123 E 3.9717 8.9880 121.1797 59.4600 29.3983 178.9263 124 L 4.0554 8.1977 119.1396 57.6369 41.5627 179.3609 125 M 4.0362 7.9687 118.6401 58.6722 32.0061 178.4810 126 D 4.2473 8.3410 118.7738 57.3816 40.5203 178.8589 127 A 3.8706 8.0799 120.9333 54.7355 18.2069 179.5694 128 A 4.0713 7.6611 118.7578 54.9109 18.5466 178.4350 129 E 4.3603 8.7399 116.9696 57.0887 30.6221 176.3609 130 G 4.1799 8.2639 102.4939 45.2541 0.0000 175.0379 131 K 4.6174 8.7457 115.6906 55.5938 32.8155 175.4643 132 G 4.2290 7.6481 108.2723 43.7661 0.0000 173.3372 133 G 3.8701 8.8009 106.8046 47.7991 0.0000 175.7991 134 A 4.1649 7.9368 121.5673 54.8399 18.6034 179.4315 135 V 3.7364 8.3986 117.1643 65.5361 31.6119 178.2435 136 K 3.8166 7.9845 118.0923 59.5120 31.8577 179.0727 137 K 3.6623 7.4841 117.0836 58.4944 31.6702 179.4963 138 K 3.8125 7.8289 120.4753 59.5361 32.1497 178.8114 139 E 3.8940 7.9380 118.2858 59.3267 29.1248 178.3269 140 D 4.3099 7.9324 118.1429 57.6451 41.0105 178.8943 141 V 3.5666 7.5488 118.2898 66.0956 31.3601 177.8671 142 E 4.2360 8.2534 117.2166 58.8155 29.0109 179.3874 143 R 4.0370 8.6133 119.6480 59.5088 28.8139 178.4344 144 M 3.9982 7.6575 117.7673 57.6634 32.0065 177.2158 145 A 4.2611 6.9693 119.5634 52.7797 19.6201 176.6778 146 E 4.0845 9.1233 124.9212 57.3872 29.0952 176.5991 147 A 4.2200 7.4292 118.2106 54.3215 18.6785 177.5788 148 N 5.1149 7.6206 113.0910 52.8824 39.3881 176.1097 149 R 4.0023 8.5546 118.1277 57.8552 30.1480 177.3305 150 A 3.9689 8.0235 119.3671 55.3134 19.0227 177.6501 151 Y 4.2059 8.2751 113.9692 57.0325 37.5034 176.2023 152 A 4.2992 7.5884 123.7458 54.2813 19.8049 178.5925 153 H 4.8645 7.9698 110.2970 55.9907 28.6595 174.8242 154 Y 5.2773 7.4847 116.3548 58.7619 38.8527 177.2355 155 R 4.4883 8.1783 120.1223 54.4899 29.0065 176.9449 156 W 4.4386 8.6474 117.9349 56.5049 28.2093 177.1127 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 4.31 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 7.95 4.04 0.00 1.87 1.96 0.00 3.23 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 4 R 8.12 4.12 0.00 1.84 1.77 0.00 3.26 0.00 0.00 3.23 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 5 R 7.80 4.17 0.00 1.78 1.93 0.00 3.25 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 6 R 8.46 4.12 0.00 1.76 1.90 0.00 3.38 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 7 A 7.98 3.55 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 8 E 8.14 4.58 0.00 1.84 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 2.17 2.32 0.00 9 V 8.33 3.84 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 0.76 0.00 0.00 0.91 0.00 0.00 10 R 8.07 3.83 0.00 1.79 1.85 0.00 3.26 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 11 Q 8.38 4.44 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 12 L 8.21 4.47 0.00 1.69 1.63 0.96 0.91 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 13 Q 8.59 4.13 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 14 P 0.00 4.25 0.00 2.10 2.19 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 15 D 8.20 4.65 0.00 2.99 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 16 L 8.15 4.93 0.00 1.74 1.68 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.02 4.54 2.31 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 0.66 0.00 0.00 0.68 0.00 0.00 18 Y 8.92 4.21 0.00 3.27 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 19 G 8.36 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 20 D 7.98 4.90 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 3.93 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 0.89 0.00 0.00 0.95 0.00 0.00 22 L 7.90 4.54 0.00 1.73 1.85 1.03 1.38 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 23 V 7.77 3.56 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 0.87 0.00 0.00 0.61 0.00 0.00 24 T 7.60 4.10 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 1.29 0.00 0.00 25 A 8.08 3.84 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 26 F 8.12 4.35 0.00 3.21 2.99 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 27 I 6.87 3.26 1.81 0.00 0.00 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 0.91 0.35 0.79 0.00 0.00 28 N 8.66 4.15 0.00 2.80 2.83 0.00 0.00 7.09 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 29 K 7.40 4.01 0.00 1.62 1.75 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.50 7.81 30 I 7.69 3.86 1.72 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.27 0.80 0.00 0.00 31 M 7.45 4.16 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 32 R 8.30 4.35 0.00 1.89 1.82 0.00 3.25 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 33 D 9.18 4.39 0.00 2.84 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 G 8.21 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 0.00 0.00 0.00 35 K 7.29 4.30 0.00 1.98 1.76 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.52 7.81 36 K 8.00 3.74 0.00 1.78 1.80 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.41 7.81 37 N 8.24 4.25 0.00 2.79 2.80 0.00 0.00 6.88 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 7.93 4.27 0.00 1.64 1.66 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.38 4.47 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.39 3.94 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 41 R 7.90 4.00 0.00 2.08 2.02 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 42 I 7.83 3.70 2.03 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 0.83 0.96 0.00 0.00 43 F 7.99 4.49 0.00 2.91 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.92 4.16 0.00 3.34 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.18 4.44 0.00 2.82 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 46 A 7.80 4.25 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 47 C 7.33 3.58 0.00 2.99 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 48 K 7.95 4.25 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.70 7.81 49 I 8.23 4.11 2.04 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 1.80 0.76 0.96 0.00 0.00 50 I 7.59 4.00 2.10 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 1.91 0.83 1.01 0.00 0.00 51 Q 8.20 4.58 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 52 E 7.28 4.71 0.00 2.08 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 2.39 0.00 53 K 7.67 4.42 0.00 1.82 1.76 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.38 7.81 54 T 7.81 4.56 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 1.34 0.00 0.00 55 G 8.74 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 56 Q 7.55 3.96 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 57 E 9.06 4.39 0.00 2.25 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 2.38 2.34 0.00 58 P 0.00 4.79 0.00 2.14 2.17 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 59 L 8.10 4.73 0.00 1.86 1.71 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.78 4.26 0.00 2.06 1.87 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.45 7.81 61 V 7.92 3.93 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 0.81 0.00 0.00 0.99 0.00 0.00 62 F 7.90 4.53 0.00 3.08 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 K 8.54 4.10 0.00 1.82 1.88 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.52 7.81 64 Q 7.73 4.35 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 65 A 7.78 4.17 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 66 V 7.96 3.61 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 0.66 0.00 0.00 0.06 0.00 0.00 67 E 7.79 4.27 0.00 2.29 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 2.32 2.43 0.00 68 N 8.20 4.82 0.00 2.88 2.82 0.00 0.00 6.73 7.30 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 69 V 7.39 4.25 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 1.07 0.00 0.00 1.06 0.00 0.00 70 K 7.42 3.91 0.00 1.62 1.99 0.00 1.88 0.00 0.00 1.96 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.56 7.81 71 P 0.00 4.68 0.00 2.33 2.41 0.00 3.76 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 72 R 8.60 4.07 0.00 1.75 2.01 0.00 3.32 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 73 M 7.67 4.92 0.00 2.09 1.91 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 2.53 0.00 74 E 8.71 5.01 0.00 2.12 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 0.00 2.19 2.27 0.00 75 V 8.47 4.86 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.96 0.00 0.00 76 R 9.16 4.73 0.00 1.54 1.87 0.00 3.01 0.00 0.00 3.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 77 S 8.91 4.65 0.00 3.91 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 78 R 8.70 4.25 0.00 1.07 1.56 0.00 2.69 0.00 0.00 2.78 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 79 R 7.66 4.52 0.00 1.59 1.58 0.00 3.01 0.00 0.00 2.25 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.61 0.00 80 V 7.88 3.35 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 0.72 0.00 0.00 0.53 0.00 0.00 81 G 9.24 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 0.00 0.00 0.00 82 G 8.36 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.09 4.05 0.68 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 0.00 0.00 84 N 8.23 4.83 0.00 2.75 2.84 0.00 0.00 7.16 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 7.58 4.57 0.00 2.87 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 86 Q 8.29 4.71 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.87 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 87 V 8.11 3.85 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.29 0.00 0.00 88 P 0.00 5.34 0.00 2.14 2.05 0.00 4.14 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 89 M 9.29 4.52 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 90 E 8.92 4.32 0.00 1.95 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 2.32 2.32 0.00 91 V 7.79 4.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.05 0.00 0.00 92 S 8.49 4.16 0.00 3.86 3.66 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 93 P 0.00 4.27 0.00 2.23 2.18 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 94 R 7.86 3.97 0.00 1.83 1.97 0.00 3.12 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 95 R 8.03 3.87 0.00 1.79 1.99 0.00 3.13 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 96 Q 8.32 3.72 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.51 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 97 Q 7.60 3.84 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 98 S 7.92 4.00 0.00 3.89 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 99 L 7.65 3.12 0.00 1.19 0.13 0.77 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.24 4.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.31 3.92 0.00 1.65 1.90 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.00 3.82 0.00 1.89 1.74 0.00 3.05 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 103 W 8.10 4.51 0.00 3.66 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 0.00 104 L 8.17 4.07 0.00 2.02 1.93 0.86 0.77 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 0.00 105 V 7.99 3.62 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 0.86 0.00 0.00 0.87 0.00 0.00 106 Q 8.23 3.97 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 107 A 8.28 4.15 1.46 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 0.00 0.00 108 A 8.21 4.04 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 0.00 109 N 8.42 4.57 0.00 2.82 2.88 0.00 0.00 7.01 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 0.00 110 Q 7.89 4.45 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.66 0.00 111 R 6.78 3.98 0.00 1.96 2.29 0.00 3.21 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 112 P 0.00 4.55 0.00 2.06 2.09 0.00 3.70 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 2.03 2.11 0.00 113 E 7.96 4.12 0.00 1.96 1.92 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 2.34 2.30 0.00 114 R 8.69 4.20 0.00 1.81 2.00 0.00 3.22 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 115 R 8.21 4.18 0.00 1.80 1.33 0.00 3.25 0.00 0.00 3.23 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 116 A 8.58 4.24 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.88 4.01 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 0.00 118 V 7.80 3.67 1.88 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 0.87 0.00 0.00 0.93 0.00 0.00 119 R 7.98 4.26 0.00 2.00 2.17 0.00 3.37 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 120 I 7.84 3.83 2.15 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 1.68 0.57 1.39 0.00 0.00 121 A 8.89 4.08 1.47 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 0.00 0.00 122 H 9.17 4.15 0.00 3.24 3.37 0.00 5.66 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 0.00 123 E 8.99 3.97 0.00 2.19 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 0.00 2.55 2.46 0.00 124 L 8.20 4.06 0.00 2.09 1.77 1.21 0.52 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 0.00 125 M 7.97 4.04 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.62 0.00 126 D 8.34 4.25 0.00 2.78 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 0.00 127 A 8.08 3.87 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 0.00 128 A 7.66 4.07 1.44 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 0.00 0.00 129 E 8.74 4.36 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 130 G 8.26 4.18 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 0.00 131 K 8.75 4.62 0.00 1.77 1.78 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.30 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.38 7.81 132 G 7.65 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.80 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 0.00 0.00 0.00 134 A 7.94 4.16 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 3.74 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 1.13 0.00 0.00 0.96 0.00 0.00 136 K 7.98 3.82 0.00 1.96 1.76 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.44 7.81 137 K 7.48 3.66 0.00 1.48 0.74 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.17 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.06 1.07 7.81 138 K 7.83 3.81 0.00 1.86 1.97 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.54 1.70 7.81 139 E 7.94 3.89 0.00 2.04 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 2.38 2.40 0.00 140 D 7.93 4.31 0.00 2.91 2.46 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 0.00 141 V 7.55 3.57 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 1.13 0.00 0.00 0.69 0.00 0.00 142 E 8.25 4.24 0.00 2.08 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 0.00 2.38 2.58 0.00 143 R 8.61 4.04 0.00 1.94 1.96 0.00 3.12 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 144 M 7.66 4.00 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.95 0.00 145 A 6.97 4.26 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 0.00 146 E 9.12 4.08 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 147 A 7.43 4.22 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 0.00 148 N 7.62 5.11 0.00 2.91 2.83 0.00 0.00 6.45 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 0.00 149 R 8.55 4.00 0.00 1.85 1.97 0.00 3.27 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 150 A 8.02 3.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.28 4.21 0.00 2.83 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 0.00 152 A 7.59 4.30 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 0.00 153 H 7.97 4.86 0.00 3.26 3.29 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 7.48 5.28 0.00 3.16 2.99 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 0.00 155 R 8.18 4.49 0.00 1.88 1.92 0.00 3.24 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 156 W 8.65 4.44 0.00 3.59 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