NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.6524 0.0000 0.0000 62.5184 32.6502 175.3572 3 F 4.3003 8.9287 128.7172 56.4884 40.5848 172.4478 4 I 4.6988 7.7147 126.7628 59.6535 39.6484 173.7438 5 Y 4.7851 9.1322 130.6690 56.4791 41.1076 175.0619 6 R 4.3250 8.1307 127.2971 55.9479 30.7580 172.1100 7 R 4.0582 8.0079 122.6603 53.9941 33.9601 173.3247 8 R 5.0069 7.9408 124.4776 54.1446 32.8006 175.3740 9 V 4.1640 8.8551 126.7681 61.7484 32.7811 175.6807 10 Q 4.7663 9.2538 124.3732 54.5240 30.2186 176.4431 11 F 3.7388 9.2124 123.7722 61.5837 39.2257 176.9388 12 Y 4.3108 7.9313 115.5753 58.9103 38.0489 176.1263 13 E 4.1850 7.8710 120.4047 56.9169 29.9992 176.1258 14 T 4.7736 7.2651 109.7386 60.1636 70.8493 172.8558 15 D 4.8959 8.3709 120.8391 50.9448 42.2349 176.3528 16 A 4.0899 8.4727 120.9041 54.6409 18.2139 178.1539 17 Q 4.0571 8.8106 116.0627 56.5307 29.2847 176.6810 18 G 3.9835 8.8575 105.6958 46.0727 0.0000 172.5566 19 I 4.9566 7.3324 112.1150 58.2129 41.7940 174.4544 20 V 4.0605 8.3541 123.3128 62.7624 31.8294 175.2966 21 H 4.1968 8.8189 128.8016 56.5622 30.3036 175.8135 22 H 4.2478 8.6667 121.4273 58.9812 28.0968 177.8713 23 S 4.4870 7.6822 116.2583 61.3400 62.8120 175.8873 24 N 4.2886 8.2276 119.7433 55.6092 38.0762 176.8268 25 Y 3.0791 7.5290 118.4095 60.5338 37.6668 178.2624 26 F 4.2556 7.4134 116.7021 59.7273 38.9949 177.7459 27 R 4.0890 7.4567 117.7061 58.9539 30.2039 178.1217 28 Y 4.4819 7.5267 116.7292 61.2207 37.8196 178.6525 29 F 4.3682 7.9008 119.0607 60.2711 38.8894 177.4284 30 E 4.0795 8.0122 119.4608 59.2007 29.4604 178.6591 31 E 3.8864 8.4490 118.5570 59.1460 29.4943 179.1660 32 A 3.4697 7.8020 120.6831 55.1908 18.4455 179.9111 33 R 3.7433 8.1162 116.7007 59.1217 30.0590 179.5420 34 G 3.5727 8.0732 105.5026 48.0212 0.0000 175.6629 35 E 4.0892 7.9973 121.0199 58.3259 29.4595 179.2172 36 F 2.7121 7.4958 121.0866 60.9032 39.4379 177.1257 37 L 3.5408 7.9075 118.7567 57.4770 41.3593 179.6805 38 R 3.7808 7.7953 118.9170 59.4129 29.8712 178.7019 39 S 4.1718 7.9343 113.0563 61.4495 63.0178 176.1733 40 K 4.0328 7.5452 120.1125 57.0908 31.8935 177.9344 41 G 3.9842 8.5512 109.6421 45.7704 0.0000 175.0001 *42 F 4.6038 7.4746 116.9988 52.5978 39.1248 178.5600 43 P 4.5080 0.0000 0.0000 62.9773 33.4011 176.8108 *44 Y 4.1016 8.5024 123.8038 62.8491 36.7562 180.2979 45 S 4.4432 8.3198 122.2717 64.1663 62.0653 179.8057 *46 K 4.2407 7.8748 126.7371 59.6490 31.5458 180.8594 47 M 4.3586 8.0050 122.0588 59.2255 31.9660 179.8691 48 R 4.8330 8.3516 122.3679 60.9257 29.3474 179.8686 49 D 4.8315 8.2363 118.0830 56.7696 41.0167 177.4555 50 M 4.6069 7.4747 115.6235 54.8126 32.0193 176.9939 51 G 3.9030 8.6093 109.9428 46.4603 0.0000 174.6486 52 L 4.5297 7.9479 125.3194 54.8080 42.6701 181.3922 53 E 4.9233 8.9763 121.0164 53.9385 33.7353 173.0637 54 V 4.6441 8.6031 124.8352 61.0561 32.3590 174.9757 55 V 4.2963 8.2961 128.8043 61.3810 33.2856 174.5133 56 L 4.3299 8.4786 129.9611 55.1206 42.2927 176.0372 57 L 4.4497 9.1019 127.6213 56.8816 42.5269 176.5178 58 N 4.9474 7.7166 113.2096 52.1590 40.3798 172.9123 59 A 5.3299 8.3499 120.1438 50.9793 22.5879 174.8822 60 Y 5.0320 9.6106 120.8410 56.4213 42.8982 173.5272 61 C 4.6898 7.7695 123.9170 57.6763 35.1401 172.2651 62 E 4.2797 8.9779 126.8657 54.3927 31.9173 173.9374 63 Y 4.2633 8.6422 126.9635 57.3156 38.8145 175.7927 64 K 4.4279 8.9186 130.9868 57.0388 33.1997 174.7105 65 K 4.6514 7.6543 119.6832 51.6090 35.6289 175.8171 66 P 4.5132 0.0000 0.0000 62.4916 32.4458 175.2462 67 L 4.4553 8.0970 119.6916 52.9181 44.5664 175.7091 68 F 5.4098 9.0391 121.5386 55.2128 42.7009 174.4571 69 Y 4.3631 8.8398 121.1516 59.7588 38.7718 176.2694 70 D 4.3328 8.7762 124.4410 54.2413 40.9564 173.4874 71 D 4.5524 8.1105 118.8291 55.0949 42.0566 175.3189 72 V 4.5751 8.3573 123.1740 61.5998 32.6797 174.7031 73 F 5.3396 9.2323 122.9179 55.1113 42.1482 173.0719 74 E 4.9903 9.4620 116.3859 54.5004 33.1120 174.9021 75 V 4.9281 9.2020 122.4837 61.9096 33.8950 174.1585 76 H 5.3120 9.6615 127.3048 54.7693 30.0606 174.1823 77 L 4.9872 9.5087 126.9861 53.6518 44.4349 174.7687 78 N 5.1004 8.4577 122.8605 51.9894 42.8384 173.2642 79 L 4.5194 8.6326 128.3949 54.5263 41.2011 175.9883 80 E 4.1828 8.8430 126.0377 58.7954 30.0864 177.2349 81 E 4.6605 8.0295 121.1886 55.2069 33.6455 174.7583 82 L 5.0450 8.4764 125.2607 52.6250 42.6344 175.4400 83 S 4.6839 9.0489 123.2044 56.4036 65.1667 174.6136 84 R 3.8480 8.5424 119.8235 59.1307 29.5370 177.9742 85 F 4.9456 8.1076 113.8482 57.3783 40.8729 174.3613 86 T 5.0408 7.6056 110.1336 60.1124 72.7253 172.5054 87 F 5.4315 8.4332 115.9936 55.5401 41.8058 173.5271 88 T 4.9948 9.0434 117.6000 61.8295 71.8461 172.9451 89 F 5.4960 9.0236 124.1202 55.6264 42.3815 174.5286 90 S 5.1161 8.8746 117.1827 56.7827 66.1428 172.5687 91 Y 5.3272 8.8716 118.5252 56.4371 42.3416 174.3467 92 I 4.8041 8.6703 123.0098 59.4679 41.1517 174.4073 93 V 4.8300 8.7143 127.5391 61.4546 33.2078 174.2767 94 F 5.5150 9.2794 127.3101 55.7282 42.0736 174.9398 95 K 4.6286 8.6452 123.2684 55.1889 35.1944 175.9415 96 E 3.5988 9.8140 128.8911 58.2248 26.7855 175.0604 97 D 4.3430 8.5275 113.6193 53.7876 37.3897 175.7414 98 I 4.5628 7.6894 119.8797 59.4485 39.9202 174.2013 99 A 3.7249 9.1232 132.7304 53.6814 18.1794 177.6935 100 V 4.1018 9.0819 123.2463 64.1630 33.3042 172.7317 101 A 4.8218 7.4466 120.6218 51.9620 22.5060 176.0352 102 K 5.0686 8.3906 121.7654 53.6476 36.4519 176.3345 103 A 4.9739 9.1112 123.8915 50.9769 23.5979 174.3199 104 N 5.6141 9.3111 116.5031 52.9469 42.9881 173.3836 105 T 5.2893 9.1912 114.5136 59.9671 72.9231 172.3720 106 K 4.9488 8.9435 124.7476 55.0514 35.3111 174.5307 107 H 5.3459 8.7393 123.4294 54.1488 33.5797 172.0245 108 C 5.2371 8.6168 113.7370 56.0813 33.7109 172.2928 109 M 5.3893 8.6176 116.0405 53.8580 36.2511 174.8011 110 V 5.0219 9.3724 124.3860 61.7290 35.1958 175.0284 111 K 4.8557 9.0902 132.8114 54.4182 35.8670 174.0333 112 N 4.0887 9.3507 120.0607 53.9272 34.6063 172.4398 113 G 4.2095 8.0668 99.8455 45.8720 0.0000 172.3760 114 K 4.5877 7.6610 117.4077 54.2997 35.5420 175.1551 115 I 4.4302 8.1336 125.2024 61.5746 37.6982 175.8656 116 V 4.9550 8.2321 117.0636 59.1617 35.5561 175.7413 117 S 4.1053 9.1221 119.9274 58.8074 63.7211 174.6430 118 I 3.8256 8.1346 122.3416 60.3738 35.6396 174.3586 119 P 4.2850 0.0000 0.0000 62.3990 32.0989 178.1698 120 K 4.0013 8.8942 128.4420 60.7777 31.4575 180.1012 121 E 4.2583 8.2842 121.4686 61.5024 29.5718 181.8555 122 V 4.0493 7.5224 118.8580 65.0910 31.7651 180.6437 123 L 4.1107 8.0779 121.6902 59.0208 41.8893 179.3333 124 E 4.1869 7.9050 119.8395 61.4847 29.7787 182.3761 125 V 3.8557 6.9863 118.1026 65.8813 31.8064 178.1794 126 L 4.4076 7.8052 122.9427 54.8699 41.4178 177.2442 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 P 0.00 4.65 0.00 1.87 1.93 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.60 0.00 3 F 8.93 4.30 0.00 3.26 2.90 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 4 I 7.71 4.70 1.60 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 0.70 0.51 0.79 0.00 0.00 5 Y 9.13 4.79 0.00 3.24 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 6 R 8.13 4.33 0.00 1.63 1.69 0.00 3.34 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.19 0.00 7 R 8.01 4.06 0.00 0.76 0.66 0.00 2.77 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.85 0.00 8 R 7.94 5.01 0.00 1.67 1.65 0.00 3.21 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 0.00 9 V 8.86 4.16 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 0.90 0.00 0.00 1.09 0.00 0.00 10 Q 9.25 4.77 0.00 1.41 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 11 F 9.21 3.74 0.00 2.52 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 12 Y 7.93 4.31 0.00 3.10 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 13 E 7.87 4.19 0.00 2.05 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 0.00 2.16 1.47 0.00 14 T 7.27 4.77 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 1.18 0.00 0.00 15 D 8.37 4.90 0.00 2.80 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 A 8.47 4.09 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 17 Q 8.81 4.06 0.00 1.97 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.96 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 18 G 8.86 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 0.00 0.00 0.00 19 I 7.33 4.96 1.82 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 1.25 0.68 1.02 0.00 0.00 20 V 8.35 4.06 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 0.38 0.00 0.00 0.86 0.00 0.00 21 H 8.82 4.20 0.00 3.26 3.09 0.00 5.85 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.67 4.25 0.00 2.92 2.73 0.00 5.71 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 23 S 7.68 4.49 0.00 4.16 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 24 N 8.23 4.29 0.00 2.49 2.15 0.00 0.00 6.88 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.53 3.08 0.00 2.48 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 0.00 0.00 0.00 26 F 7.41 4.26 0.00 3.28 3.14 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 0.00 0.00 0.00 0.00 27 R 7.46 4.09 0.00 1.82 1.97 0.00 3.28 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 28 Y 7.53 4.48 0.00 2.72 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.90 4.37 0.00 2.85 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 0.00 0.00 0.00 0.00 30 E 8.01 4.08 0.00 2.09 2.19 0.00 0.00 0.00 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 31 E 8.45 3.89 0.00 2.19 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 0.00 2.42 2.78 0.00 32 A 7.80 3.47 1.54 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 33 R 8.12 3.74 0.00 2.03 1.96 0.00 3.36 0.00 0.00 3.60 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 2.03 0.00 34 G 8.07 3.57 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 0.00 0.00 0.00 35 E 8.00 4.09 0.00 2.15 2.33 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 2.44 2.74 0.00 36 F 7.50 2.71 0.00 2.35 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 37 L 7.91 3.54 0.00 1.61 1.80 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.80 3.78 0.00 2.03 2.02 0.00 3.13 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 39 S 7.93 4.17 0.00 4.18 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 40 K 7.55 4.03 0.00 1.48 1.71 0.00 1.64 0.00 0.00 1.59 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.88 0.70 7.81 41 G 8.55 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 0.00 0.00 0.00 *42 F 7.47 4.60 0.00 2.27 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 0.00 0.00 0.00 43 P 0.00 4.51 0.00 2.13 1.99 0.00 3.53 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 *44 Y 8.50 4.10 0.00 2.32 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 0.00 0.00 0.00 45 S 8.32 4.44 0.00 3.72 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 *46 K 7.87 4.24 0.00 1.76 1.84 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.10 7.81 47 M 8.00 4.36 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.55 0.00 48 R 8.35 4.83 0.00 1.79 1.94 0.00 3.27 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.36 0.00 49 D 8.24 4.83 0.00 2.87 2.90 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 50 M 7.47 4.61 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.78 0.00 51 G 8.61 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 0.00 0.00 0.00 52 L 7.95 4.53 0.00 1.37 1.55 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.98 4.92 0.00 1.62 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 54 V 8.60 4.64 2.22 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 1.17 0.00 0.00 1.11 0.00 0.00 55 V 8.30 4.30 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 0.93 0.00 0.00 0.96 0.00 0.00 56 L 8.48 4.33 0.00 1.71 1.55 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.10 4.45 0.00 1.60 1.64 0.86 0.92 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 58 N 7.72 4.95 0.00 2.81 2.85 0.00 0.00 5.82 7.00 0.00 0.00 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 A 8.35 5.33 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 60 Y 9.61 5.03 0.00 3.04 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 7.77 4.69 0.00 2.61 2.33 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 62 E 8.98 4.28 0.00 1.89 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 0.00 2.13 2.25 0.00 63 Y 8.64 4.26 0.00 2.71 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 64 K 8.92 4.43 0.00 1.54 1.70 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 1.25 7.81 65 K 7.65 4.65 0.00 1.70 1.53 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 0.98 7.81 66 P 0.00 4.51 0.00 1.58 1.98 0.00 3.65 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 1.67 2.04 0.00 67 L 8.10 4.46 0.00 1.45 1.36 -0.01 0.73 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 68 F 9.04 5.41 0.00 3.06 2.90 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 69 Y 8.84 4.36 0.00 2.92 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 70 D 8.78 4.33 0.00 1.58 2.37 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 71 D 8.11 4.55 0.00 2.88 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 72 V 8.36 4.58 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.85 0.00 0.00 73 F 9.23 5.34 0.00 3.30 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 74 E 9.46 4.99 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 75 V 9.20 4.93 2.55 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 1.50 0.00 0.00 1.40 0.00 0.00 76 H 9.66 5.31 0.00 3.26 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 9.51 4.99 0.00 1.79 1.55 0.27 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.46 5.10 0.00 2.84 2.53 0.00 0.00 6.81 6.83 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 79 L 8.63 4.52 0.00 1.76 1.64 0.66 1.04 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 80 E 8.84 4.18 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 81 E 8.03 4.66 0.00 1.96 1.68 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 2.26 2.30 0.00 82 L 8.48 5.05 0.00 1.65 1.43 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.05 4.68 0.00 4.07 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 84 R 8.54 3.85 0.00 1.71 1.72 0.00 2.80 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 85 F 8.11 4.95 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 86 T 7.61 5.04 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 87 F 8.43 5.43 0.00 2.76 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 9.04 4.99 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 1.21 0.00 0.00 89 F 9.02 5.50 0.00 2.84 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 90 S 8.87 5.12 0.00 3.74 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 91 Y 8.87 5.33 0.00 2.30 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 92 I 8.67 4.80 1.75 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 1.01 0.70 -0.02 0.00 0.00 93 V 8.71 4.83 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 0.99 0.00 0.00 1.24 0.00 0.00 94 F 9.28 5.52 0.00 3.00 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 95 K 8.65 4.63 0.00 1.87 1.67 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.39 1.47 7.81 96 E 9.81 3.60 0.00 2.22 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 2.24 2.34 0.00 97 D 8.53 4.34 0.00 2.87 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 98 I 7.69 4.56 1.95 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 1.29 1.23 1.08 0.00 0.00 99 A 9.12 3.72 1.16 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 0.00 0.00 100 V 9.08 4.10 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 0.70 0.00 0.00 0.93 0.00 0.00 101 A 7.45 4.82 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 0.00 102 K 8.39 5.07 0.00 1.42 1.61 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.23 7.81 103 A 9.11 4.97 0.70 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 0.00 104 N 9.31 5.61 0.00 2.79 2.73 0.00 0.00 7.12 7.58 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 0.00 105 T 9.19 5.29 4.38 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 1.56 0.00 0.00 106 K 8.94 4.95 0.00 1.76 1.58 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.20 1.27 7.81 107 H 8.74 5.35 0.00 1.51 2.91 0.00 5.81 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.62 5.24 0.00 3.11 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 0.00 109 M 8.62 5.39 0.00 2.05 2.07 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 2.92 2.82 0.00 110 V 9.37 5.02 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 1.01 0.00 0.00 0.95 0.00 0.00 111 K 9.09 4.86 0.00 1.41 1.58 0.00 2.01 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.25 1.23 7.81 112 N 9.35 4.09 0.00 2.85 2.73 0.00 0.00 6.86 7.51 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 0.00 113 G 8.07 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 0.00 114 K 7.66 4.59 0.00 1.78 1.72 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.39 7.81 115 I 8.13 4.43 1.73 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 1.40 0.60 0.89 0.00 0.00 116 V 8.23 4.95 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 1.07 0.00 0.00 117 S 9.12 4.11 0.00 3.53 3.43 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 0.00 118 I 8.13 3.83 1.87 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 1.23 0.69 0.91 0.00 0.00 119 P 0.00 4.28 0.00 2.15 2.01 0.00 3.58 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 120 K 8.89 4.00 0.00 1.76 1.83 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.08 7.81 121 E 8.28 4.26 0.00 1.97 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 2.31 1.95 0.00 122 V 7.52 4.05 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 0.76 0.00 0.00 0.93 0.00 0.00 123 L 8.08 4.11 0.00 1.82 1.68 0.86 0.78 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 0.00 124 E 7.90 4.19 0.00 2.08 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 2.26 2.19 0.00 125 V 6.99 3.86 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 0.94 0.00 0.00 0.93 0.00 0.00 126 L 7.81 4.41 0.00 1.50 1.56 0.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.