NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2494 7.8833 121.4003 61.2249 39.0409 174.1954 3 V 4.6981 8.3985 119.9840 58.8952 34.7362 173.4497 4 T 4.6423 8.3775 118.1821 60.9270 71.3142 174.0694 5 T 4.4893 8.7279 117.0238 62.3237 69.7051 175.0029 6 T 4.2452 7.6873 113.7699 61.1889 69.5769 175.6806 7 S 4.2375 8.5572 116.6155 60.3398 63.5796 173.5518 8 G 4.1026 7.5320 107.7219 44.7744 0.0000 171.1222 9 I 4.4680 8.0565 119.0117 59.1484 39.4922 175.2975 10 Q 4.0372 8.6792 125.2615 56.9167 29.0472 177.0232 11 G 3.8959 8.9603 110.0305 45.5640 0.0000 173.6031 12 K 4.4051 7.3945 118.3970 53.7938 33.0463 175.5432 13 E 3.9903 8.5118 122.9689 56.3241 30.0237 177.3163 14 I 4.0083 8.0879 123.9005 60.9772 37.6146 176.0150 15 I 3.9694 8.7021 127.9794 63.9037 37.6548 176.5081 16 E 4.6454 7.7199 121.3061 54.7803 33.3907 173.6677 17 Y 4.5790 8.7721 124.2777 57.1721 38.1001 175.7073 18 I 4.0298 8.4885 125.7365 62.8197 37.5578 175.9437 19 D 4.5623 7.5268 118.4781 53.2867 44.6330 173.9134 20 I 4.4462 8.4871 124.7000 61.4226 37.6830 175.9264 21 V 4.5629 8.6840 120.1992 59.9518 34.9583 174.4820 22 N 5.3497 8.4519 117.9308 52.1095 42.6835 174.3715 23 G 4.6454 9.0561 108.3441 43.8191 0.0000 171.1879 24 E 5.9204 9.3145 120.0756 53.6744 33.9957 174.6559 25 A 4.7190 8.3505 120.8657 51.2281 22.3593 176.0715 26 I 4.9660 7.3963 119.7360 58.1849 40.9091 175.5828 *28 G 3.7718 8.3124 105.9596 44.8882 0.0000 173.4130 29 A 4.1020 8.3957 122.0998 55.1606 18.3234 179.2935 30 N 4.1677 8.2891 114.9202 57.1524 38.3452 176.7775 31 I 3.6570 7.7067 120.1573 64.3388 37.2531 178.1771 32 V 3.8341 7.6810 118.7193 66.2454 31.3354 177.5641 33 R 3.9336 7.9803 118.1321 60.0522 29.6964 178.2150 34 D 4.4110 8.1746 116.6590 56.3377 40.8204 177.7224 35 L 4.5253 7.3202 116.4299 54.7958 43.8557 177.8813 36 F 4.6680 8.2403 117.3866 59.2075 39.3455 177.8338 37 A 4.1016 8.1264 121.0243 55.1605 18.2932 178.8789 38 S 4.2703 7.9732 108.9696 60.4398 63.5978 174.9271 39 V 3.7683 7.7468 122.0066 63.0995 31.8087 174.9426 40 R 4.5518 8.7782 125.2258 57.4399 33.1429 176.2305 41 D 4.6787 8.0822 110.9234 54.0976 41.1266 178.2578 42 V 4.3267 6.4144 113.4716 60.6967 33.3250 173.8160 43 V 4.3322 8.3928 126.3830 60.9210 33.6944 175.4298 44 G 4.0473 8.5803 116.5601 44.4926 0.0000 174.4167 45 G 3.3669 8.6764 107.5167 48.7943 0.0000 175.2620 46 R 3.9522 8.2096 118.1547 58.9284 30.1309 178.1094 47 A 4.0865 7.9217 118.5721 54.5229 18.8998 178.3833 48 G 3.5313 7.9946 105.9397 45.2192 0.0000 174.9687 49 S 4.1204 8.4833 118.1136 60.4142 63.7269 175.7123 50 Y 4.0136 7.6585 119.9697 59.6491 37.5762 177.4956 51 E 3.8950 7.1775 121.8769 58.8656 29.5830 178.8191 52 S 4.1277 7.7969 114.1610 61.1615 63.2910 176.5139 53 K 3.9978 7.8847 121.6810 58.8776 31.8374 178.9561 54 L 4.0483 7.8202 120.3273 58.2056 42.0463 179.0032 55 K 3.9866 8.3237 119.6856 59.3477 32.0581 178.4148 56 E 3.9022 8.2959 119.5945 59.1233 29.6350 178.5445 57 A 4.0304 8.3402 121.1808 55.2665 18.2288 179.6370 58 R 3.8847 8.1076 116.1887 59.7638 30.2815 178.2372 59 D 4.5159 8.2333 117.8785 57.1977 41.1242 178.5763 60 I 3.9221 7.9184 120.3568 64.1363 37.2144 178.8491 61 A 4.0160 7.7006 117.8270 53.3131 18.0274 178.7092 *63 D 4.5132 8.0529 122.4022 55.8836 43.0705 177.0907 64 E 4.3335 7.9487 118.0704 56.6695 29.4865 178.3927 *66 K 4.2375 8.1750 118.4005 55.9315 34.3858 177.8934 67 E 3.9184 8.2981 119.0388 59.0792 29.2016 178.6833 68 L 3.9310 7.7197 119.2529 57.8625 42.4827 178.2924 69 A 4.1261 7.9889 120.3020 55.2549 18.4479 179.1159 70 K 3.7986 8.1513 117.9370 60.0693 32.0001 178.9161 71 Q 4.1084 7.8998 116.3194 58.0605 28.6676 177.7655 72 K 4.3977 7.8179 117.5239 56.0238 32.5284 177.3922 73 G 3.8732 7.8433 107.6220 45.0589 0.0000 173.8495 74 A 4.3902 7.5120 121.7740 51.9047 19.1708 177.1851 75 N 5.1554 8.5108 115.4343 52.2374 38.7678 173.8859 76 A 4.8838 7.7162 119.7288 51.1826 23.1732 175.3763 77 I 5.0112 8.9779 120.8743 59.6117 40.4837 175.4265 78 V 4.6941 8.4726 119.2929 59.4599 35.7257 175.4795 79 G 4.0770 8.7539 108.2882 46.5694 0.0000 174.4633 80 V 4.0507 8.0567 120.4883 62.7900 32.7491 174.0515 81 D 5.0469 9.2463 127.9447 52.3978 43.8999 174.6192 82 V 4.5560 8.3184 124.9214 61.1273 33.3906 173.9559 83 D 4.9068 9.4186 128.4635 52.5029 44.3486 174.0014 84 Y 5.0484 8.3840 121.2179 56.2414 40.6092 174.8858 85 E 4.6095 8.7310 122.7999 54.3696 33.1408 175.7991 86 V 3.7192 8.5905 124.7557 62.7520 30.9180 175.7690 87 V 3.7771 8.3019 127.2735 64.8848 31.8551 176.8242 88 R 4.4002 7.5288 114.0144 54.2441 31.0335 175.2577 89 D 4.2485 8.3217 115.9051 58.2315 41.2953 177.3199 90 G 3.7865 7.7828 105.9167 45.9510 0.0000 172.5718 *92 L 4.1017 7.5113 122.1829 54.3305 43.1973 174.7771 *94 V 4.2512 7.9747 116.5686 61.6900 32.7663 174.1831 95 A 5.2075 8.7969 127.4001 49.9447 21.8699 175.2011 96 V 4.8637 9.1513 115.3018 59.6482 35.4527 175.0016 97 S 5.0690 8.8182 117.2372 57.0189 67.2242 172.7630 98 G 4.1569 7.9952 106.7920 46.7675 0.0000 171.9041 99 T 5.0548 8.3580 116.9984 61.5040 70.4078 174.7632 100 A 4.6050 9.2006 130.2118 52.0948 19.5682 176.4319 101 V 4.7290 9.1431 121.8810 61.0244 36.2867 173.9524 102 R 4.9432 8.6169 124.6059 54.3968 32.3051 175.8645 103 I 4.1610 8.8945 119.8598 60.9756 37.6558 175.2988 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 I 7.88 4.25 1.86 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 1.34 0.48 0.90 0.00 0.00 3 V 8.40 4.70 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 0.68 0.00 0.00 0.93 0.00 0.00 4 T 8.38 4.64 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 1.26 0.00 0.00 5 T 8.73 4.49 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 1.27 0.00 0.00 6 T 7.69 4.25 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 1.22 0.00 0.00 7 S 8.56 4.24 0.00 4.03 4.05 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 0.00 0.00 0.00 0.00 8 G 7.53 4.10 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 0.00 0.00 0.00 9 I 8.06 4.47 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.90 0.00 0.00 10 Q 8.68 4.04 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.84 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 11 G 8.96 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 12 K 7.39 4.41 0.00 1.67 1.72 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.35 7.81 13 E 8.51 3.99 0.00 1.94 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 2.32 2.33 0.00 14 I 8.09 4.01 1.61 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 1.20 0.36 -0.01 0.00 0.00 15 I 8.70 3.97 1.88 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 1.08 0.42 0.89 0.00 0.00 16 E 7.72 4.65 0.00 1.97 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 17 Y 8.77 4.58 0.00 2.87 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 18 I 8.49 4.03 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.46 0.95 0.00 0.00 19 D 7.53 4.56 0.00 2.76 2.45 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 20 I 8.49 4.45 1.88 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 1.36 0.68 0.95 0.00 0.00 21 V 8.68 4.56 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 1.00 0.00 0.00 0.96 0.00 0.00 22 N 8.45 5.35 0.00 2.54 2.64 0.00 0.00 6.62 7.65 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 23 G 9.06 4.65 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 0.00 0.00 0.00 24 E 9.31 5.92 0.00 1.81 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 0.00 2.22 2.11 0.00 25 A 8.35 4.72 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 26 I 7.40 4.97 1.90 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 1.32 1.15 0.99 0.00 0.00 *28 G 8.31 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 0.00 0.00 0.00 29 A 8.40 4.10 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 30 N 8.29 4.17 0.00 2.85 2.86 0.00 0.00 7.17 7.94 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 31 I 7.71 3.66 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 1.53 1.22 0.91 0.00 0.00 32 V 7.68 3.83 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 1.28 0.00 0.00 1.18 0.00 0.00 33 R 7.98 3.93 0.00 2.08 2.16 0.00 3.16 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 34 D 8.17 4.41 0.00 2.65 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 35 L 7.32 4.53 0.00 1.07 1.40 0.77 0.77 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 36 F 8.24 4.67 0.00 3.20 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.13 4.10 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 38 S 7.97 4.27 0.00 4.01 4.02 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 0.00 0.00 0.00 0.00 39 V 7.75 3.77 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 0.82 0.00 0.00 1.07 0.00 0.00 40 R 8.78 4.55 0.00 1.83 1.95 0.00 3.21 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 41 D 8.08 4.68 0.00 2.60 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 0.00 0.00 0.00 42 V 6.41 4.33 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 0.85 0.00 0.00 0.94 0.00 0.00 43 V 8.39 4.33 2.26 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 1.02 0.00 0.00 1.00 0.00 0.00 44 G 8.58 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.68 3.37 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 0.00 46 R 8.21 3.95 0.00 1.79 2.00 0.00 3.20 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 47 A 7.92 4.09 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.99 3.53 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 0.00 49 S 8.48 4.12 0.00 3.93 3.96 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 50 Y 7.66 4.01 0.00 2.53 3.12 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 0.00 0.00 0.00 0.00 51 E 7.18 3.90 0.00 1.53 1.74 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 2.22 2.32 0.00 52 S 7.80 4.13 0.00 4.05 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.88 4.00 0.00 1.76 1.89 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.39 7.81 54 L 7.82 4.05 0.00 1.96 1.96 1.10 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.32 3.99 0.00 2.01 1.82 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 56 E 8.30 3.90 0.00 2.20 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 2.32 2.34 0.00 57 A 8.34 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.11 3.88 0.00 2.10 2.17 0.00 3.38 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 59 D 8.23 4.52 0.00 2.73 2.73 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 60 I 7.92 3.92 2.10 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 1.47 1.16 0.92 0.00 0.00 61 A 7.70 4.02 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 *63 D 8.05 4.51 0.00 2.90 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 64 E 7.95 4.33 0.00 2.04 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 2.30 2.28 0.00 *66 K 8.17 4.24 0.00 2.03 1.88 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 67 E 8.30 3.92 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 2.36 0.00 68 L 7.72 3.93 0.00 1.80 1.68 0.92 1.04 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 69 A 7.99 4.13 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 70 K 8.15 3.80 0.00 1.94 2.01 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.49 7.81 71 Q 7.90 4.11 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 72 K 7.82 4.40 0.00 1.89 1.84 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.44 7.81 73 G 7.84 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 74 A 7.51 4.39 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 75 N 8.51 5.16 0.00 2.69 2.84 0.00 0.00 6.66 7.32 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 76 A 7.72 4.88 1.18 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 77 I 8.98 5.01 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 1.22 0.93 0.96 0.00 0.00 78 V 8.47 4.69 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 0.68 0.00 0.00 1.02 0.00 0.00 79 G 8.75 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 80 V 8.06 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 0.91 0.00 0.00 0.93 0.00 0.00 81 D 9.25 5.05 0.00 2.70 2.44 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 82 V 8.32 4.56 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 0.50 0.00 0.00 0.89 0.00 0.00 83 D 9.42 4.91 0.00 2.55 2.34 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 84 Y 8.38 5.05 0.00 2.86 2.80 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 85 E 8.73 4.61 0.00 1.80 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 2.19 2.21 0.00 86 V 8.59 3.72 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 0.77 0.00 0.00 0.89 0.00 0.00 87 V 8.30 3.78 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 0.94 0.00 0.00 88 R 7.53 4.40 0.00 1.96 1.95 0.00 3.14 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 89 D 8.32 4.25 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.78 3.79 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 0.00 0.00 0.00 *92 L 7.51 4.10 0.00 1.83 1.75 0.91 0.89 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 *94 V 7.97 4.25 2.27 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 0.86 0.00 0.00 0.82 0.00 0.00 95 A 8.80 5.21 1.18 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 96 V 9.15 4.86 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 0.67 0.00 0.00 0.97 0.00 0.00 97 S 8.82 5.07 0.00 3.81 3.96 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 98 G 8.00 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 0.00 0.00 0.00 99 T 8.36 5.05 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 1.35 0.00 0.00 100 A 9.20 4.60 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 0.00 101 V 9.14 4.73 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 0.80 0.00 0.00 0.67 0.00 0.00 102 R 8.62 4.94 0.00 1.85 1.67 0.00 3.08 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 103 I 8.89 4.16 1.83 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 1.24 0.79 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.