NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4146 8.3001 118.2003 54.1673 33.6821 175.3572 2 A 5.0284 7.1507 128.7873 52.1433 19.5353 174.4592 3 Y 4.1886 8.0977 117.4228 57.3379 39.8851 173.2905 4 S 4.6286 7.6735 112.2348 56.5154 65.7560 173.0114 5 E 4.4331 8.4715 117.7405 56.2276 29.2847 176.2293 6 K 4.5321 7.9138 118.4566 54.8336 34.1863 176.2040 7 V 4.1408 8.2733 122.5402 62.7295 32.6446 175.4435 8 I 3.6749 7.5150 119.1586 61.6518 37.7747 175.2447 9 D 4.4328 8.5173 122.8229 56.6095 41.2365 176.4141 10 H 4.0813 7.2184 113.4121 55.4452 31.9571 173.9865 11 Y 4.4058 7.1333 119.1903 60.6044 38.0480 176.4220 12 E 4.6390 7.8177 114.1910 56.3727 32.1204 175.1657 13 N 5.0731 8.1440 116.0480 51.5706 43.4925 173.5289 14 P 4.6847 0.0000 0.0000 63.8792 31.2929 176.2780 15 R 4.4182 7.6317 118.5351 56.4535 30.1797 175.6554 16 N 3.9878 8.7009 113.4532 54.1903 35.1005 173.2047 17 V 3.2375 7.8623 123.0094 61.4967 32.5366 172.7889 18 G 4.2039 8.8413 117.6187 42.9069 0.0000 170.1807 19 S 3.5201 8.9189 119.8169 57.4930 64.0430 168.3544 20 L 3.4352 8.4832 132.0055 56.0020 40.9427 172.5777 21 D 4.5289 8.7074 125.8421 53.2491 43.3659 177.0430 22 K 3.9448 8.5794 114.4327 57.7323 30.8960 175.3673 23 K 4.7037 8.0225 116.3936 54.5074 32.2784 174.7174 24 D 4.8182 7.3824 119.4136 52.8312 45.4986 177.0196 25 S 4.2245 8.5068 114.4996 60.0453 63.7700 174.5676 26 N 4.9774 8.0745 118.2671 53.1627 38.5201 173.9377 27 V 4.6160 7.6551 117.6015 61.2470 34.3982 174.7816 28 G 4.2984 8.8218 115.9350 45.4353 0.0000 172.3591 29 T 5.0126 8.5838 121.0102 61.9453 72.1103 174.0061 30 G 4.2125 8.4989 111.4378 45.5529 0.0000 171.5006 31 M 5.0955 8.8321 126.0191 54.1603 34.5618 174.2299 32 V 4.6091 7.9993 120.9374 60.8492 36.0577 173.8999 33 G 4.3445 7.8536 105.6752 46.6248 0.0000 173.5431 34 A 4.8635 8.4277 118.4040 48.8247 18.2405 175.8216 35 P 4.1991 0.0000 0.0000 63.6534 32.1534 177.9705 36 A 4.1992 8.0660 120.8377 53.8191 18.8112 177.4005 37 C 4.7276 7.8208 111.9972 61.5797 35.3807 173.8141 38 G 3.3801 5.9306 110.6201 45.8011 0.0000 172.6839 39 D 5.1530 7.5961 119.4652 52.1516 45.1209 177.0297 40 V 4.7884 8.4832 121.6925 60.0760 34.1550 174.5505 41 M 4.8883 9.1306 123.0850 53.8013 36.0582 173.4880 42 Q 5.0395 9.1104 126.0448 54.2577 32.3263 173.5284 43 L 5.2074 9.1744 127.9429 53.3461 45.5430 174.6906 44 Q 4.9653 9.0167 126.2852 54.2476 32.4004 173.7361 45 I 4.6058 8.4241 118.7056 58.9608 41.0804 174.0313 46 K 4.7421 8.6499 125.0892 54.7102 34.7772 174.9567 47 V 4.9298 8.2222 126.2495 60.7319 33.1201 173.4866 48 D 4.8073 8.6943 125.8749 55.7151 47.3800 176.8673 49 D 4.5540 7.8456 120.0356 54.0667 40.3074 175.1337 50 N 4.1392 8.1057 111.7855 54.1554 34.6172 176.5783 51 G 4.0052 7.9565 102.8615 46.0479 0.0000 173.1559 52 I 4.1738 7.1368 120.5118 60.1589 38.9864 174.5749 53 I 5.1713 8.5121 123.1236 59.8341 37.5798 176.3087 54 E 4.3219 8.9459 125.6974 57.4635 31.2096 176.1398 55 D 5.1266 8.0033 117.9104 52.2613 45.2732 175.6624 56 A 4.6133 8.4762 122.7040 51.0727 21.1764 175.9138 57 K 4.6658 8.4849 121.5828 56.5943 35.0020 175.2861 58 F 5.1982 7.6253 114.9773 57.1083 40.8054 173.7665 59 K 4.1183 9.1588 115.5531 56.2027 36.2867 175.2579 60 T 4.8241 8.6894 116.3372 59.9692 70.2687 172.7729 61 Y 4.4791 9.1694 125.5152 57.8499 39.0445 176.3047 62 G 4.8783 8.1029 125.7162 46.4216 0.0000 170.6964 63 C 4.5085 7.2743 122.5642 57.0710 31.8975 173.4034 64 G 4.2809 8.5375 118.8514 43.1754 0.0000 172.1800 65 S 5.7748 7.9480 129.5394 59.7132 61.5473 179.9236 66 A 4.1233 7.2540 119.5667 53.1949 18.2066 179.1087 67 I 3.7430 8.1219 119.8903 65.2587 37.3651 177.6632 68 A 3.6366 7.9406 118.9404 55.5462 18.1880 178.8809 69 S 3.8303 7.9438 108.8807 61.5008 62.6994 176.7512 70 S 3.8120 7.9223 115.6208 61.5183 61.9529 176.4309 71 S 4.0935 8.1471 118.2924 60.1206 62.6434 176.3628 72 L 3.7853 7.3470 122.8183 57.9059 42.3315 178.0613 73 I 3.6183 7.7213 119.1393 64.3626 37.8169 177.9120 74 T 3.8818 7.5458 110.0835 64.6687 68.2664 175.4650 75 E 4.3567 7.8416 118.6117 57.1569 29.8356 178.0687 76 W 4.4292 8.1121 119.1802 59.0600 29.6806 178.3233 77 V 4.2001 7.8098 111.4488 62.1006 31.6711 173.6921 78 K 3.9624 7.5218 119.9952 58.9137 31.2624 174.6798 79 G 4.0031 8.3510 115.1004 45.7709 0.0000 173.0843 80 K 4.3029 8.8839 120.5008 55.8342 33.7505 175.7162 81 S 5.0449 7.8074 113.8923 56.5284 66.6763 175.1164 82 L 3.8659 8.4227 121.4596 58.1781 40.9670 179.4030 83 E 3.9417 8.1622 117.7590 59.2162 29.6491 178.2747 84 E 4.1716 8.3182 118.3326 59.0054 29.6129 178.7396 85 A 4.1863 8.0538 119.2973 54.3427 18.9039 177.5485 86 G 3.9923 8.2985 106.5775 45.0010 0.0000 173.6171 87 A 4.7087 7.8423 120.9939 52.7955 26.0986 177.9002 88 I 3.9059 7.3251 108.0481 61.3580 38.0373 175.0122 89 K 4.7668 8.1818 119.4231 53.7499 35.9882 177.2563 90 N 4.3793 8.6029 118.1263 56.0561 37.1674 177.4429 91 S 4.0705 8.0778 116.1641 61.1892 62.9098 176.3083 92 Q 4.0005 7.7661 121.4597 59.2290 28.4755 178.9807 93 I 3.3667 7.5146 119.8575 64.0832 37.2283 178.0631 94 A 3.8927 8.1958 121.9333 55.1264 17.8244 179.5002 95 E 3.9901 7.9165 116.1703 59.2600 29.9543 178.5839 96 E 4.0896 8.0537 117.9348 58.5141 29.6688 177.9706 97 L 4.2830 7.9121 118.0981 53.9860 43.8742 174.9795 98 E 3.6198 8.0916 119.5525 56.0946 27.4646 172.7204 99 L 4.8504 7.3907 119.9371 52.1758 44.0764 175.7188 100 P 4.4175 0.0000 0.0000 62.2642 31.7567 175.2147 101 P 4.3053 0.0000 0.0000 63.9340 30.6802 176.9197 102 V 4.3204 7.5909 110.3866 61.4503 31.7643 176.8807 103 K 4.5671 7.6518 118.0186 56.1534 33.5068 177.5734 104 V 3.6858 7.9855 118.3201 65.2531 30.9702 177.0404 105 H 4.0975 8.2313 114.6292 60.2327 28.7235 175.7116 106 C 4.2774 8.5584 119.3775 60.7590 27.9639 175.8020 107 S 4.0003 7.8762 117.1157 62.0422 62.7886 177.2611 108 I 3.6667 7.8549 122.3672 64.4769 37.1292 178.5081 109 L 3.9856 8.0490 119.1241 57.5094 41.3578 179.1088 110 A 3.9758 7.7510 121.2250 54.8154 18.4783 178.9798 111 E 3.8327 8.2163 116.0822 59.3295 29.7172 178.6812 112 D 4.3473 8.1902 116.8991 57.3526 41.3486 178.0118 113 A 4.0947 7.7972 120.6961 55.2676 18.5143 179.1475 114 I 3.5629 7.6012 116.3782 64.4086 37.8872 177.8846 115 K 3.9614 8.1936 120.0652 59.3401 31.9154 178.7399 116 A 3.9955 8.2451 121.1254 55.0481 18.3367 179.4502 117 A 4.6463 7.8766 120.1855 54.9793 18.4973 179.8335 118 I 3.7769 8.0156 118.1460 64.2895 37.1813 178.4907 119 A 4.0250 8.2088 121.7129 55.4290 18.3876 179.3171 120 D 4.4929 8.4576 116.6442 56.7138 40.7106 178.1385 121 Y 4.1296 7.8084 119.9226 59.7044 38.9215 176.4157 122 K 4.1177 8.0496 118.8699 57.7142 32.9695 177.8426 123 A 4.2164 8.0129 120.6772 53.9394 18.0543 178.8065 124 K 4.4458 7.1729 115.3502 56.3065 32.2707 177.4908 125 Q 4.6156 8.0984 114.4548 54.3104 30.4443 175.4001 126 G 3.6955 8.6554 107.8328 47.2253 0.0000 175.4778 127 L 4.1973 9.2182 125.1120 55.0663 43.7763 178.8273 128 E 3.4798 7.9300 117.8836 57.8589 28.0375 173.6271 129 H 5.1839 8.2946 122.8288 55.5912 31.5135 171.9450 130 H 4.7152 8.5261 111.0128 56.4428 34.4580 173.5646 131 H 4.6863 7.7431 117.3420 54.7086 33.1706 172.9514 132 H 4.8433 8.6545 116.4000 54.6558 29.1979 173.1738 133 H 3.9806 8.3493 115.4580 57.0473 29.2207 175.3156 134 H 4.5072 8.8060 121.0291 56.4094 29.7168 174.5819 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 4.41 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 A 7.15 5.03 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 3 Y 8.10 4.19 0.00 2.96 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 4 S 7.67 4.63 0.00 3.98 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.47 4.43 0.00 1.91 1.96 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 2.21 2.30 0.00 6 K 7.91 4.53 0.00 1.70 1.73 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.46 7.81 7 V 8.27 4.14 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 0.77 0.00 0.00 0.92 0.00 0.00 8 I 7.51 3.67 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.66 0.93 0.00 0.00 9 D 8.52 4.43 0.00 2.61 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 10 H 7.22 4.08 0.00 2.93 3.01 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.13 4.41 0.00 3.04 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 12 E 7.82 4.64 0.00 1.96 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 0.00 2.29 2.40 0.00 13 N 8.14 5.07 0.00 2.71 2.65 0.00 0.00 6.63 8.07 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 14 P 0.00 4.68 0.00 2.16 2.10 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 15 R 7.63 4.42 0.00 1.74 1.95 0.00 3.41 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 16 N 8.70 3.99 0.00 2.91 2.84 0.00 0.00 7.13 7.70 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 17 V 7.86 3.24 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 0.84 0.00 0.00 0.96 0.00 0.00 18 G 8.84 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.92 3.52 0.00 4.03 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 20 L 8.48 3.44 0.00 1.80 1.67 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.71 4.53 0.00 2.77 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 22 K 8.58 3.94 0.00 1.92 1.91 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.52 7.81 23 K 8.02 4.70 0.00 1.68 1.70 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.34 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.59 7.81 24 D 7.38 4.82 0.00 2.67 2.51 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 25 S 8.51 4.22 0.00 3.80 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.07 4.98 0.00 2.84 3.40 0.00 0.00 6.54 7.76 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 27 V 7.66 4.62 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 0.77 0.00 0.00 0.99 0.00 0.00 28 G 8.82 4.30 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 0.00 29 T 8.58 5.01 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 1.24 0.00 0.00 30 G 8.50 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 0.00 0.00 0.00 0.00 31 M 8.83 5.10 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 32 V 8.00 4.61 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 0.76 0.00 0.00 0.94 0.00 0.00 33 G 7.85 4.34 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 0.00 34 A 8.43 4.86 1.23 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 35 P 0.00 4.20 0.00 2.19 2.13 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 36 A 8.07 4.20 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 37 C 7.82 4.73 0.00 2.89 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 5.93 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 0.00 0.00 0.00 39 D 7.60 5.15 0.00 2.57 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 40 V 8.48 4.79 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 0.72 0.00 0.00 0.97 0.00 0.00 41 M 9.13 4.89 0.00 2.07 1.89 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 2.51 2.47 0.00 42 Q 9.11 5.04 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 43 L 9.17 5.21 0.00 1.74 1.47 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 9.02 4.97 0.00 2.20 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 45 I 8.42 4.61 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.80 0.92 0.00 0.00 46 K 8.65 4.74 0.00 1.88 1.75 0.00 1.59 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.38 7.81 47 V 8.22 4.93 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 1.22 0.00 0.00 0.69 0.00 0.00 48 D 8.69 4.81 0.00 2.91 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 49 D 7.85 4.55 0.00 2.62 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 50 N 8.11 4.14 0.00 2.99 2.99 0.00 0.00 6.90 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 51 G 7.96 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 0.00 0.00 0.00 0.00 52 I 7.14 4.17 2.05 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 1.50 1.43 0.99 0.00 0.00 53 I 8.51 5.17 2.05 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 0.84 0.96 0.99 0.00 0.00 54 E 8.95 4.32 0.00 1.97 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 2.22 2.34 0.00 55 D 8.00 5.13 0.00 2.60 2.58 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 56 A 8.48 4.61 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 57 K 8.48 4.67 0.00 1.72 1.72 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.53 7.81 58 F 7.63 5.20 0.00 3.13 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 59 K 9.16 4.12 0.00 1.62 1.76 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.20 7.81 60 T 8.69 4.82 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 1.29 0.00 0.00 61 Y 9.17 4.48 0.00 3.05 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 62 G 8.10 4.88 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 0.00 0.00 0.00 63 C 7.27 4.51 0.00 2.94 2.82 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 64 G 8.54 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 0.00 0.00 0.00 0.00 65 S 7.95 5.77 0.00 4.08 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 66 A 7.25 4.12 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 67 I 8.12 3.74 1.83 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 1.37 0.47 0.90 0.00 0.00 68 A 7.94 3.64 1.23 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 69 S 7.94 3.83 0.00 3.77 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 70 S 7.92 3.81 0.00 3.91 3.36 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 71 S 8.15 4.09 0.00 4.01 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 0.00 72 L 7.35 3.79 0.00 1.45 1.54 0.85 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.72 3.62 1.66 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.14 0.79 0.00 0.00 74 T 7.55 3.88 4.25 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 1.00 0.00 0.00 75 E 7.84 4.36 0.00 2.35 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 0.00 2.37 2.38 0.00 76 W 8.11 4.43 0.00 3.42 3.33 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 77 V 7.81 4.20 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 0.90 0.00 0.00 1.06 0.00 0.00 78 K 7.52 3.96 0.00 1.99 1.83 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.46 7.81 79 G 8.35 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 80 K 8.88 4.30 0.00 1.80 1.88 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.20 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.66 7.81 81 S 7.81 5.04 0.00 3.82 3.68 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 82 L 8.42 3.87 0.00 1.59 1.63 0.22 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.16 3.94 0.00 1.96 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 2.30 2.36 0.00 84 E 8.32 4.17 0.00 2.19 1.96 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 2.29 2.30 0.00 85 A 8.05 4.19 1.28 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 0.00 0.00 0.00 86 G 8.30 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 87 A 7.84 4.71 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 88 I 7.33 3.91 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.68 1.09 0.00 0.00 89 K 8.18 4.77 0.00 1.80 1.70 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.56 7.81 90 N 8.60 4.38 0.00 2.87 3.18 0.00 0.00 5.65 7.62 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 91 S 8.08 4.07 0.00 4.07 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 7.77 4.00 0.00 2.19 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.90 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 93 I 7.51 3.37 1.65 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.19 0.61 0.00 0.00 94 A 8.20 3.89 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 95 E 7.92 3.99 0.00 2.13 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 2.37 2.47 0.00 96 E 8.05 4.09 0.00 2.09 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 0.00 2.43 2.75 0.00 97 L 7.91 4.28 0.00 1.75 1.63 0.80 1.14 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 98 E 8.09 3.62 0.00 2.08 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 2.20 2.27 0.00 99 L 7.39 4.85 0.00 1.71 1.55 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.42 0.00 2.23 2.22 0.00 3.68 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 2.06 1.95 0.00 101 P 0.00 4.31 0.00 2.19 2.17 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 102 V 7.59 4.32 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 0.76 0.00 0.00 0.93 0.00 0.00 103 K 7.65 4.57 0.00 1.73 1.66 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 104 V 7.99 3.69 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 0.96 0.00 0.00 0.93 0.00 0.00 105 H 8.23 4.10 0.00 3.13 3.39 0.00 5.95 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 8.56 4.28 0.00 3.08 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 0.00 107 S 7.88 4.00 0.00 3.80 3.88 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 0.00 108 I 7.85 3.67 2.10 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 0.90 0.00 0.00 109 L 8.05 3.99 0.00 1.94 1.71 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.75 3.98 1.24 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 0.00 0.00 111 E 8.22 3.83 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 2.30 2.46 0.00 112 D 8.19 4.35 0.00 2.87 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 0.00 113 A 7.80 4.09 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 0.00 114 I 7.60 3.56 1.87 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 1.57 1.20 1.02 0.00 0.00 115 K 8.19 3.96 0.00 1.89 2.01 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 116 A 8.25 4.00 1.38 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 0.00 0.00 117 A 7.88 4.65 1.38 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 0.00 0.00 118 I 8.02 3.78 2.03 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 1.43 0.70 0.97 0.00 0.00 119 A 8.21 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.46 4.49 0.00 3.07 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 0.00 121 Y 7.81 4.13 0.00 3.13 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 0.00 122 K 8.05 4.12 0.00 1.90 1.84 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.43 7.81 123 A 8.01 4.22 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 7.17 4.45 0.00 1.92 1.68 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.59 1.45 7.81 125 Q 8.10 4.62 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.53 0.00 0.00 0.00 0.00 0.00 2.09 2.40 0.00 126 G 8.66 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 0.00 127 L 9.22 4.20 0.00 1.63 1.74 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 128 E 7.93 3.48 0.00 2.03 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 2.21 2.26 0.00 129 H 8.29 5.18 0.00 3.19 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.53 4.72 0.00 3.11 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 7.74 4.69 0.00 3.08 3.11 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.65 4.84 0.00 3.14 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 H 8.35 3.98 0.00 3.32 3.49 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.81 4.51 0.00 3.10 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00