NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5614 8.1933 115.4335 57.8090 64.4003 174.5175 1 L 3.9855 8.4784 120.7489 57.0053 41.8339 177.2188 2 Y 4.2790 8.4652 119.1140 60.1680 40.0543 175.3573 3 D 4.8285 8.5434 121.0847 51.6251 41.6271 173.5087 4 P 4.5687 0.0000 0.0000 63.5287 31.9564 177.1227 5 A 5.0093 8.1539 120.9837 51.8166 19.5491 177.9090 6 E 4.3167 8.5217 121.9465 60.1834 29.6830 179.5950 7 K 4.1470 8.2158 116.1292 59.6630 32.6636 177.3723 8 Y 4.0831 8.2436 116.3637 59.3039 38.0537 175.4071 9 F 4.9344 8.0899 118.2483 55.7106 41.5145 174.8875 10 N 5.0293 8.6219 118.0622 52.3937 38.2723 174.0700 11 C 4.4916 8.0089 114.1581 57.5250 31.3539 173.5808 12 T 4.2695 8.4034 110.9948 61.3269 70.4559 175.3226 13 D 4.5407 8.6288 121.5785 57.6983 40.8804 178.9818 14 I 3.8182 7.7782 118.6906 64.1374 38.0413 177.8311 15 Q 4.1542 8.0107 119.2727 58.9082 28.4747 178.6726 16 R 3.7106 8.1173 119.5948 59.1188 29.9933 178.4417 17 A 3.9202 8.1407 120.6427 55.1424 18.4631 179.4496 18 F 3.9251 8.3303 116.2996 60.6653 39.0538 177.4897 19 F 4.3232 8.5612 120.1695 61.6751 39.1977 177.0134 20 E 3.7312 8.6265 118.1586 59.2612 29.3672 179.1250 21 A 4.0380 8.1581 120.9404 55.0238 18.3431 179.9047 22 G 3.5275 7.9802 103.9350 47.9917 0.0000 175.7181 23 I 3.5702 7.2696 122.7572 64.1006 37.1399 178.6547 24 K 4.0020 7.8671 118.9333 59.4370 31.7753 179.5178 25 L 4.1295 7.9360 119.0264 57.5464 41.6503 179.5956 26 G 3.6733 8.2774 105.5634 47.7394 0.0000 175.4238 27 A 3.9931 8.3978 123.8712 54.9343 18.4995 179.7480 28 I 3.9358 7.9350 118.1737 64.5968 37.3844 178.3429 29 F 4.0296 8.4516 121.4679 61.8183 39.0172 176.7264 30 H 4.3912 8.1085 113.6918 57.9420 28.7328 177.2887 31 Q 3.8181 8.1322 121.4566 58.6694 29.0311 176.7241 32 Y 4.5739 7.5551 116.3960 57.8417 39.0215 176.1760 33 T 3.8639 6.6005 108.9244 63.0941 69.1070 174.4646 34 G 3.9797 9.0417 113.2094 45.1335 0.0000 174.0373 35 I 3.9119 7.3598 121.7109 60.6713 38.1831 173.9684 36 P 5.0311 0.0000 0.0000 62.8997 31.9645 176.2491 37 V 4.8750 9.3890 117.7478 60.0128 36.0921 174.9109 38 N 5.0876 9.5283 121.1145 52.3176 39.4319 174.9121 39 S 4.2181 8.0171 112.4890 62.0648 63.2007 176.4572 40 E 4.0316 8.3778 119.7980 58.5298 29.3473 177.3208 41 N 4.9106 7.7778 109.8331 51.8089 38.8551 176.0449 42 A 4.0228 8.0848 122.1306 55.5233 18.2621 179.9386 43 S 4.0769 7.9598 113.2529 62.0070 63.0870 176.4211 44 M 4.0298 8.0354 120.1300 58.0768 31.9896 177.8670 45 A 4.0166 8.3694 121.7121 55.2341 18.5364 179.3354 46 E 3.8314 8.1725 116.8556 59.5932 29.4981 179.3001 47 E 3.8869 8.3814 119.4044 59.1969 29.6371 178.6288 48 F 4.2753 8.6438 120.9995 61.3801 39.4540 177.1544 49 I 2.8356 7.6194 119.3858 63.9954 36.7682 178.0982 50 E 3.8351 8.0784 119.4277 59.7257 29.3529 179.8526 51 R 3.9112 8.0969 118.0450 59.2772 29.8361 179.4107 52 S 4.0167 7.6809 114.4516 61.7078 63.1206 176.5112 53 T 4.2679 7.8440 119.9403 66.2868 67.9204 176.7249 54 M 4.1074 7.8076 120.1442 57.9287 32.0168 178.1179 55 I 3.9407 7.0767 110.8522 61.6054 38.2982 176.3082 56 Q 4.2213 7.2663 120.4705 54.3545 29.5497 173.5905 57 P 3.7078 0.0000 0.0000 63.8854 31.8018 176.9317 58 F 4.0300 8.1210 119.2936 57.7896 36.4655 174.3775 59 V 4.2795 7.2954 120.7896 62.5444 31.7547 175.0030 60 E 4.4848 9.2291 128.6070 57.7681 31.1341 175.5595 61 N 4.9697 7.6851 115.7422 52.3463 42.6349 173.4540 62 V 4.9253 8.2879 124.1831 61.2387 34.8235 174.3814 63 R 4.8491 9.1184 126.7274 54.4438 33.0102 174.5615 64 I 4.9247 9.0769 125.1940 59.5218 39.9486 175.2898 65 S 4.8158 9.1435 122.6600 56.8755 66.0371 173.0173 66 I 4.7613 9.2195 127.0567 59.9838 38.0537 175.1757 67 N 4.9319 8.8917 124.3939 50.8162 41.8963 173.7391 68 N 4.1261 8.5492 113.8757 54.4577 36.2294 175.0997 69 V 3.9234 7.6063 115.5039 62.4865 31.8192 178.0620 70 K 4.2654 8.2207 123.3955 56.4235 33.7125 175.0316 *76 Y 4.4954 8.3519 118.5522 58.4973 39.1625 175.5154 77 S 4.8462 8.6613 116.8426 57.7997 63.8211 172.9809 78 Y 5.1032 7.3730 116.6781 57.3407 40.5148 172.8704 79 S 4.5034 8.8116 114.2014 56.4121 67.3943 173.1078 80 S 4.7635 8.4723 116.7778 57.9641 63.4937 174.1045 81 L 4.0683 9.1873 128.0770 55.7452 43.0112 175.6756 82 N 5.2255 8.5151 122.9632 50.3837 40.5914 175.1367 83 E 4.1938 8.7637 116.0695 59.0824 29.6792 178.4013 84 K 3.4285 7.9771 118.2156 58.1890 32.5020 177.7752 85 M 4.2602 8.0029 118.4273 56.4586 32.6840 175.5057 86 L 4.6632 7.7668 120.8996 54.2427 43.1276 175.4395 87 H 5.2858 9.1006 126.0659 54.3725 32.9766 172.2347 88 A 5.1165 8.7242 125.7780 50.3194 23.0708 174.7107 89 E 4.8945 9.3488 120.3250 54.5836 33.5634 174.9416 90 V 4.6170 8.9508 125.3717 60.9054 34.5444 173.8457 91 L 4.8811 9.0364 131.3306 53.9829 43.5834 175.0072 92 I 4.9087 8.7603 127.8891 59.7097 39.7460 174.3823 93 N 5.3376 9.3714 125.0593 52.1661 41.3169 173.0439 94 Y 4.4307 9.0946 128.9063 56.4759 40.0394 175.1450 95 N 3.9482 9.5783 126.5293 54.0612 36.7848 175.8115 96 G 3.9485 8.5205 107.0446 45.1055 0.0000 174.5167 97 K 4.3680 7.9094 120.2859 55.3699 33.1638 175.6239 98 K 5.6912 8.4252 122.1831 53.7153 35.7135 175.2150 99 V 4.4449 8.0448 123.0309 60.9699 35.2554 173.5114 100 L 4.8054 8.8581 130.8703 53.7724 43.3362 175.2346 101 G 4.1494 8.9826 115.2188 45.1034 0.0000 172.1059 102 V 4.7590 8.5229 123.6515 60.6118 35.0251 173.6601 103 L 5.0655 8.6759 130.1703 53.4487 44.3475 174.6785 104 N 5.2799 9.0517 124.5113 52.4253 42.9920 172.5721 105 Y 4.5605 8.9947 128.0957 57.7893 40.3826 173.5618 106 D 4.6492 8.5575 128.0205 52.8414 41.8641 176.9840 107 E 4.0356 8.9749 126.9737 59.3460 30.0615 178.9035 108 G 3.7632 8.2322 106.8025 48.7071 0.0000 174.7766 109 L 3.9494 8.5344 119.2482 54.8840 42.2810 176.4162 110 D 4.1965 7.4808 116.7884 53.2484 39.9637 172.5151 111 Y 4.7832 6.3900 118.2209 55.9593 42.8897 172.6493 112 P 4.7159 0.0000 0.0000 61.7419 30.8979 174.7962 113 V 3.9295 8.5280 127.6736 63.8138 32.8548 174.0576 114 M 5.2846 8.8222 127.5419 53.8405 33.9302 174.6064 115 Y 5.1890 8.8727 120.9573 55.4783 42.3951 173.8992 116 A 5.1658 8.6644 119.7911 50.6306 22.5427 175.7809 117 K 4.8407 8.6952 119.1840 54.3488 36.6702 175.6891 118 E 4.3915 9.1136 125.2850 56.5000 30.2693 176.1169 119 V 4.6143 8.4393 118.7156 59.3586 35.9653 175.8344 120 L 4.1890 8.4167 120.9730 55.2044 41.6622 177.0751 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 0 S 8.19 4.56 0.00 4.14 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 1 L 8.48 3.99 0.00 1.82 1.83 0.95 0.55 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 2 Y 8.47 4.28 0.00 2.91 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 3 D 8.54 4.83 0.00 3.00 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 4 P 0.00 4.57 0.00 2.16 2.17 0.00 3.82 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 5 A 8.15 5.01 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 6 E 8.52 4.32 0.00 2.42 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 2.47 2.47 0.00 7 K 8.22 4.15 0.00 1.83 1.96 0.00 1.45 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.50 1.26 7.81 8 Y 8.24 4.08 0.00 2.98 2.61 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 9 F 8.09 4.93 0.00 3.13 2.88 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 10 N 8.62 5.03 0.00 2.77 2.86 0.00 0.00 6.09 7.68 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 11 C 8.01 4.49 0.00 3.34 3.02 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 12 T 8.40 4.27 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 1.23 0.00 0.00 13 D 8.63 4.54 0.00 2.79 3.09 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 0.00 0.00 0.00 0.00 14 I 7.78 3.82 1.96 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 1.84 1.58 1.00 0.00 0.00 15 Q 8.01 4.15 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 R 8.12 3.71 0.00 1.38 1.57 0.00 2.67 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.52 0.00 17 A 8.14 3.92 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 18 F 8.33 3.93 0.00 3.29 3.17 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 19 F 8.56 4.32 0.00 3.20 3.29 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 20 E 8.63 3.73 0.00 1.95 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 2.45 2.32 0.00 21 A 8.16 4.04 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 22 G 7.98 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 23 I 7.27 3.57 1.79 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 -0.03 0.81 0.00 0.00 24 K 7.87 4.00 0.00 1.82 1.84 0.00 1.50 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.51 7.81 25 L 7.94 4.13 0.00 1.71 1.70 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.28 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.40 3.99 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 28 I 7.93 3.94 2.02 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 1.57 1.21 1.03 0.00 0.00 29 F 8.45 4.03 0.00 3.20 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 30 H 8.11 4.39 0.00 3.23 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.13 3.82 0.00 1.70 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 1.62 1.32 0.00 32 Y 7.56 4.57 0.00 3.15 2.92 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 33 T 6.60 3.86 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 0.65 0.00 0.00 34 G 9.04 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 35 I 7.36 3.91 2.02 0.00 0.00 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 1.30 0.57 0.96 0.00 0.00 36 P 0.00 5.03 0.00 1.74 1.69 0.00 3.61 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 37 V 9.39 4.87 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 0.81 0.00 0.00 1.01 0.00 0.00 38 N 9.53 5.09 0.00 3.04 3.10 0.00 0.00 6.80 7.37 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 39 S 8.02 4.22 0.00 4.08 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 40 E 8.38 4.03 0.00 2.10 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 2.35 2.26 0.00 41 N 7.78 4.91 0.00 2.87 2.97 0.00 0.00 6.82 7.73 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 42 A 8.08 4.02 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 43 S 7.96 4.08 0.00 3.88 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 44 M 8.04 4.03 0.00 2.07 2.05 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 2.67 2.58 0.00 45 A 8.37 4.02 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 46 E 8.17 3.83 0.00 2.20 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 2.39 2.46 0.00 47 E 8.38 3.89 0.00 2.11 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 2.34 2.32 0.00 48 F 8.64 4.28 0.00 3.10 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 49 I 7.62 2.84 1.52 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.04 0.24 0.00 0.00 50 E 8.08 3.84 0.00 2.15 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 2.31 2.39 0.00 51 R 8.10 3.91 0.00 1.87 1.96 0.00 3.14 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 52 S 7.68 4.02 0.00 3.42 3.71 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 53 T 7.84 4.27 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 1.18 0.00 0.00 54 M 7.81 4.11 0.00 1.97 2.28 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.77 0.00 55 I 7.08 3.94 1.84 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 1.75 0.48 0.97 0.00 0.00 56 Q 7.27 4.22 0.00 2.30 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 57 P 0.00 3.71 0.00 1.56 1.08 0.00 3.66 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 58 F 8.12 4.03 0.00 3.33 3.47 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 59 V 7.30 4.28 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 0.70 0.00 0.00 0.96 0.00 0.00 60 E 9.23 4.48 0.00 1.99 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 2.25 2.25 0.00 61 N 7.69 4.97 0.00 2.76 2.56 0.00 0.00 6.59 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 62 V 8.29 4.93 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 0.81 0.00 0.00 0.93 0.00 0.00 63 R 9.12 4.85 0.00 1.71 1.79 0.00 3.27 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 64 I 9.08 4.92 1.81 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 1.14 0.73 0.85 0.00 0.00 65 S 9.14 4.82 0.00 3.74 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 66 I 9.22 4.76 1.87 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 1.23 0.54 0.92 0.00 0.00 67 N 8.89 4.93 0.00 2.57 2.73 0.00 0.00 7.18 8.85 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 68 N 8.55 4.13 0.00 2.81 2.85 0.00 0.00 6.86 7.68 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 69 V 7.61 3.92 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 0.77 0.00 0.00 0.95 0.00 0.00 70 K 8.22 4.27 0.00 1.83 1.79 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.68 1.55 7.81 *76 Y 8.35 4.50 0.00 2.76 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 77 S 8.66 4.85 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 78 Y 7.37 5.10 0.00 3.09 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 79 S 8.81 4.50 0.00 3.78 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 80 S 8.47 4.76 0.00 3.74 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 81 L 9.19 4.07 0.00 1.82 1.56 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.52 5.23 0.00 2.75 2.82 0.00 0.00 5.98 7.66 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 83 E 8.76 4.19 0.00 2.46 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 2.28 2.29 0.00 84 K 7.98 3.43 0.00 1.64 1.51 0.00 1.48 0.00 0.00 1.45 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 0.82 7.81 85 M 8.00 4.26 0.00 2.17 2.16 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 2.72 2.53 0.00 86 L 7.77 4.66 0.00 1.63 1.61 0.92 0.92 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 87 H 9.10 5.29 0.00 3.35 3.29 0.00 5.78 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 88 A 8.72 5.12 1.17 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 89 E 9.35 4.89 0.00 1.84 1.78 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 2.15 2.20 0.00 90 V 8.95 4.62 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 0.88 0.00 0.00 0.89 0.00 0.00 91 L 9.04 4.88 0.00 1.73 1.62 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.76 4.91 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.17 1.01 0.00 0.00 93 N 9.37 5.34 0.00 2.79 2.78 0.00 0.00 6.93 7.18 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 94 Y 9.09 4.43 0.00 2.67 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 95 N 9.58 3.95 0.00 2.63 2.66 0.00 0.00 7.25 7.20 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 96 G 8.52 3.95 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 0.00 0.00 0.00 97 K 7.91 4.37 0.00 2.00 1.78 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.60 7.81 98 K 8.43 5.69 0.00 1.85 1.64 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.23 7.81 99 V 8.04 4.44 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 0.33 0.00 0.00 0.24 0.00 0.00 100 L 8.86 4.81 0.00 1.73 1.47 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.98 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 0.00 0.00 0.00 102 V 8.52 4.76 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 0.00 0.00 0.93 0.00 0.00 0.63 0.00 0.00 103 L 8.68 5.07 0.00 1.76 1.47 0.95 0.43 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 0.00 104 N 9.05 5.28 0.00 3.01 2.81 0.00 0.00 6.43 7.07 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 0.00 105 Y 8.99 4.56 0.00 3.41 2.92 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 0.00 106 D 8.56 4.65 0.00 2.68 2.49 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 0.00 107 E 8.97 4.04 0.00 2.05 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 2.66 2.49 0.00 108 G 8.23 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 0.00 0.00 0.00 109 L 8.53 3.95 0.00 1.55 1.69 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 110 D 7.48 4.20 0.00 2.81 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 0.00 111 Y 6.39 4.78 0.00 3.11 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 0.00 112 P 0.00 4.72 0.00 1.79 2.24 0.00 2.43 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 2.08 0.00 113 V 8.53 3.93 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 1.08 0.00 0.00 1.03 0.00 0.00 114 M 8.82 5.28 0.00 1.92 1.98 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 2.38 2.45 0.00 115 Y 8.87 5.19 0.00 3.09 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 0.00 116 A 8.66 5.17 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 0.00 117 K 8.70 4.84 0.00 1.77 1.72 0.00 1.98 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.57 7.81 118 E 9.11 4.39 0.00 2.15 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 2.32 2.50 0.00 119 V 8.44 4.61 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 0.79 0.00 0.00 0.90 0.00 0.00 120 L 8.42 4.19 0.00 1.64 1.58 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.