NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 4.0507 8.0549 120.3123 61.5054 32.6633 174.8972 10 I 4.2284 8.0107 121.1753 59.1711 40.2414 171.4059 11 V 3.9992 8.4254 131.3616 61.0518 30.6476 175.9429 12 A 4.1902 7.7948 124.2145 54.0150 19.2114 176.8088 13 D 4.6210 7.5513 113.1052 51.0339 42.8816 176.5432 14 I 3.7239 8.3643 119.8548 64.4049 36.8427 178.5218 15 R 3.8763 8.7963 119.7812 59.6977 29.7893 178.5889 16 Q 4.0595 7.6692 114.7472 58.6688 28.8427 178.1510 17 A 4.1749 8.3017 122.4769 54.4009 18.3874 180.1436 18 E 3.7842 7.3870 117.1208 58.5993 31.2856 179.0587 19 G 3.5546 9.1902 105.1693 46.6632 0.0000 176.6500 20 A 4.0531 7.5662 120.2532 53.6378 20.2483 178.9695 21 L 4.1170 8.0661 113.9303 55.7188 41.4799 178.3676 22 A 4.4169 8.8095 123.6005 54.1701 19.8155 178.8079 23 E 3.7960 8.1705 117.2048 59.5608 29.5802 178.6114 24 I 3.6074 8.2394 119.6179 64.7743 37.0325 177.9841 25 A 4.1103 7.6405 119.7905 54.2786 18.1512 179.6676 26 T 3.8006 8.2415 115.3904 66.3494 68.7558 176.7462 27 I 3.6540 7.7671 121.2186 64.8947 37.0395 177.7698 28 D 4.3823 8.2715 119.4143 57.5874 40.3929 179.1036 29 R 3.9846 7.2687 117.8569 59.6252 30.4495 177.4716 30 K 4.0138 9.0578 120.6643 58.3627 31.9832 179.2599 31 V 3.2357 8.5032 114.7585 65.4332 32.1161 177.8546 32 G 3.9428 7.8955 108.5023 46.5393 0.0000 172.6949 33 E 4.5725 8.6592 120.9976 56.4429 32.1206 177.7979 34 I 3.7477 8.0026 120.1172 64.5757 36.9350 177.5434 35 E 4.2934 8.0157 113.6962 57.1433 28.9799 177.5096 36 A 4.5747 7.6353 122.4588 53.5042 20.3339 180.0790 37 Q 3.9515 7.5628 114.5721 56.6284 28.0676 177.6786 *39 N 4.7337 8.1776 114.7316 52.7644 40.7258 175.5344 40 E 4.1892 7.7340 118.2550 57.6584 30.1570 177.6879 41 A 4.0047 7.8038 120.6409 55.1618 18.5581 179.7148 42 I 3.7481 7.6546 117.8735 64.3714 37.3582 178.2888 43 D 4.3228 7.7585 119.1797 57.3427 40.6053 178.6869 44 A 4.0930 7.9970 120.9450 54.8688 18.2853 179.6353 45 A 3.8946 8.0055 119.3352 55.3923 18.3037 180.0647 46 K 3.8693 8.1397 116.4852 59.0178 31.9801 179.0259 47 A 4.2075 7.4378 119.6221 54.1837 19.0480 179.6471 48 R 3.7900 8.1934 116.5327 59.8592 30.2406 178.3740 49 A 3.9218 8.1661 120.1392 55.9941 17.8085 179.4510 50 S 4.1086 8.1880 110.1824 60.7996 62.2900 176.8479 51 Q 3.8051 7.7017 121.8140 59.3773 29.0185 177.9919 52 K 4.1544 8.2044 118.4464 58.4788 32.3870 178.5189 53 S 4.5912 7.9133 112.3222 58.2387 63.4763 176.0054 54 A 3.9453 7.4520 125.5874 55.0951 18.1602 178.0115 55 P 4.1905 0.0000 0.0000 65.6079 31.3709 178.6629 56 L 3.9640 7.9292 117.3410 58.0232 41.3721 179.3785 57 L 4.0476 7.9450 116.7835 56.7863 41.8691 179.0975 58 A 4.1089 8.1087 121.4540 55.1327 18.2785 179.5963 59 R 3.8167 8.2982 117.7099 59.5901 30.1037 178.6600 60 R 3.9255 8.3257 118.7158 59.6608 29.9144 177.5005 61 K 4.0804 8.4112 119.9873 58.2718 31.9061 179.7044 62 E 3.7390 7.2343 117.6290 58.6940 30.0047 179.6832 63 L 4.0121 7.7482 118.9203 57.6342 41.6918 178.5806 64 E 3.9166 8.0061 117.9307 59.3446 29.6525 178.1934 65 D 4.1490 9.6673 117.0675 56.4481 40.4616 182.5730 66 G 3.3251 6.4417 109.6756 47.5857 0.0000 177.8194 67 V 3.7027 8.3153 121.4056 65.0697 31.5781 178.0965 68 A 4.0488 10.6000 121.3545 54.5195 18.2806 179.1712 69 T 3.8642 7.9523 106.6598 65.0652 68.4719 175.5351 70 F 4.1309 8.0687 123.6434 61.1349 38.8689 177.1371 71 A 3.9608 8.7668 120.6254 55.8515 18.1655 178.6572 72 T 4.2785 9.1111 109.7313 63.3446 68.5886 177.4121 73 L 4.0010 7.6880 125.3025 55.9379 42.0081 177.9207 74 N 4.8764 7.2335 114.7083 52.7894 39.0903 175.9949 75 K 4.5250 8.9600 121.3251 59.4556 32.5081 178.3973 76 T 4.0088 8.0179 107.4472 64.8154 68.6128 175.3514 77 E 4.0363 7.9803 115.7095 56.6095 29.0655 175.8793 *79 F 4.4305 7.6719 117.8022 57.7651 40.7783 174.0716 *83 K 4.4429 8.1952 120.8766 56.0240 33.7786 176.8252 84 S 5.0514 8.6404 128.3463 56.9448 65.6545 174.3190 85 L 4.1287 8.9060 129.1333 54.8985 42.9289 175.2611 86 D 4.6956 8.8299 127.3600 54.1169 41.7356 175.8250 87 L 4.6293 8.5117 125.5755 54.3408 42.5428 177.4727 88 G 4.1084 9.5891 115.4047 46.6397 0.0000 176.1975 89 F 4.5615 7.9332 116.6500 57.4928 39.5995 175.5406 90 G 4.0304 7.3831 108.6271 45.9843 0.0000 170.9648 91 T 4.9293 8.0397 115.8499 62.0743 69.5891 174.4611 92 I 4.5980 8.7904 117.5371 58.8070 40.6390 173.3629 93 G 3.5314 7.4857 105.1367 44.1501 0.0000 172.1143 94 F 4.6303 7.4469 118.2335 55.5129 41.9507 174.4873 95 R 4.6296 8.5260 124.5513 54.2894 32.8446 174.4864 96 L 4.4976 8.4125 123.1876 53.2537 42.3059 176.2278 97 S 4.6829 8.5394 118.7711 56.5642 64.7422 173.5482 98 T 4.3854 8.4301 122.3369 62.1905 69.4389 173.9600 99 Q 4.6068 8.4022 126.2270 54.1456 32.0769 174.1533 100 I 4.3123 8.2072 124.7295 60.0341 38.4519 175.2578 101 V 4.6279 7.8783 123.1773 60.9397 35.6959 176.8591 102 Q 4.4069 8.2139 124.7742 55.5850 28.0468 177.7959 *104 S 4.5378 8.7181 116.2131 59.1712 64.5963 176.2147 105 K 4.5238 7.9151 118.3390 55.3604 32.3722 175.8875 106 I 4.3840 7.6417 120.2473 59.5204 38.7462 175.9777 107 T 4.2534 8.2615 115.7253 60.5779 69.9263 174.7395 108 K 4.2078 8.4967 122.9379 59.6313 32.4848 178.5710 109 D 4.3987 7.8440 119.5160 54.5219 40.4008 178.4014 *111 T 4.2741 8.0959 117.1040 63.7290 70.6818 176.5403 112 L 3.9505 7.8842 121.1832 57.9790 41.5325 179.3300 113 E 3.9401 7.9889 118.9548 59.0337 29.5819 179.0570 114 R 3.4887 7.7629 117.8103 59.0981 30.1867 178.5871 115 L 4.0692 8.3994 119.0477 57.5964 41.4577 179.4516 116 R 4.0277 7.4886 118.0536 58.5711 30.1981 177.7789 117 Q 3.8343 8.2166 118.9641 59.1477 28.9013 177.5377 118 F 4.8293 7.8061 113.2785 57.2189 39.2879 176.1151 119 G 3.8290 8.3353 109.1701 46.4972 0.0000 174.6083 120 I 4.2160 8.0926 123.3247 59.7422 36.2142 176.5540 121 S 4.3248 8.5254 121.9481 59.9172 63.6447 176.9140 122 E 4.0117 8.3470 118.5163 58.9643 29.1692 178.1965 123 G 3.7534 7.6154 106.5905 46.7305 0.0000 173.3404 124 I 4.4348 7.5840 121.1004 59.3657 39.2612 175.0305 125 R 4.5587 8.5372 123.8904 54.5150 31.4739 175.5896 126 I 4.4580 8.1830 123.3946 59.2750 39.7181 175.4685 127 K 4.3580 8.3105 123.8401 55.0168 33.7388 175.1918 128 E 4.6425 8.5146 125.7124 55.1646 31.3211 175.1747 129 D 4.6601 7.9868 119.1053 52.8627 44.3414 174.7187 130 V 3.7901 8.0620 123.6373 62.1542 32.1547 175.8815 131 N 4.5475 8.3821 126.0697 52.1944 37.4467 175.1699 132 K 4.1066 8.2750 122.8338 57.8878 33.0351 177.9499 133 E 4.2211 7.7325 118.6297 58.0469 29.9937 177.4042 134 A 4.1700 7.4550 122.5278 52.1939 18.0189 179.3145 *136 Q 4.0771 8.2960 120.6402 57.3061 30.6508 177.0014 137 G 4.0362 7.4646 103.1918 45.2834 0.0000 173.6787 138 W 4.6007 7.9517 120.0440 55.1465 30.0653 175.0739 139 P 4.5292 0.0000 0.0000 62.8908 32.8077 177.1682 140 D 4.4737 8.7328 118.5013 57.7458 40.4311 179.1702 141 E 4.0161 8.0468 117.9304 59.3997 29.6921 178.9818 142 R 3.9743 7.8623 116.6787 59.0817 30.3535 178.5255 143 L 4.5100 8.0466 118.6011 57.6693 41.6733 180.3253 144 E 4.3515 8.0126 118.9102 56.1791 29.3550 178.1650 *146 V 3.8736 7.6835 108.0710 60.2637 33.2142 175.8370 147 G 3.9047 8.2446 107.1974 46.5082 0.0000 173.8158 148 L 4.8970 8.2553 118.5979 52.1763 44.7873 176.4196 149 K 4.6261 8.2114 119.8134 54.5615 35.5343 175.9548 150 R 3.8824 8.6254 121.5286 56.4064 30.1679 175.5851 151 R 4.3193 8.5144 126.2671 54.8895 30.9237 175.0893 152 T 4.3899 8.3962 120.5761 60.6215 67.9198 173.0475 153 T 4.2839 8.2713 125.9098 62.3952 69.6710 174.7583 154 D 4.5982 8.5916 125.7522 52.8707 40.5447 174.8406 155 A 4.8176 8.1033 128.7127 49.7916 21.1881 176.1712 156 F 4.7902 8.8098 124.1019 58.1776 40.0684 174.2914 157 Y 4.4538 8.3164 125.1592 55.0077 40.2699 174.4722 158 I 3.9137 7.7095 125.2094 59.7455 38.5613 175.7962 159 E 4.6165 8.1077 125.6858 53.0651 29.3961 174.2885 160 I 3.6910 7.7558 121.4566 61.0708 38.4561 175.8147 161 N 4.5387 8.5969 118.9768 53.7145 38.4790 175.2469 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 9 V 8.05 4.05 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 0.93 0.00 0.00 0.94 0.00 0.00 10 I 8.01 4.23 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 1.30 0.78 0.90 0.00 0.00 11 V 8.43 4.00 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 1.02 0.00 0.00 0.94 0.00 0.00 12 A 7.79 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 13 D 7.55 4.62 0.00 2.94 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 14 I 8.36 3.72 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 1.52 0.77 0.91 0.00 0.00 15 R 8.80 3.88 0.00 1.86 2.01 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 16 Q 7.67 4.06 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 17 A 8.30 4.17 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 18 E 7.39 3.78 0.00 2.26 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 2.29 2.44 0.00 19 G 9.19 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.57 4.05 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 21 L 8.07 4.12 0.00 1.63 1.71 0.89 0.68 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 22 A 8.81 4.42 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 23 E 8.17 3.80 0.00 2.04 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 2.42 0.00 24 I 8.24 3.61 1.94 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 1.45 0.44 0.90 0.00 0.00 25 A 7.64 4.11 1.36 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 0.00 0.00 26 T 8.24 3.80 4.48 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 1.21 0.00 0.00 27 I 7.77 3.65 1.98 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 1.91 1.02 0.91 0.00 0.00 28 D 8.27 4.38 0.00 2.75 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 29 R 7.27 3.98 0.00 2.06 1.99 0.00 3.26 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 30 K 9.06 4.01 0.00 2.08 1.65 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.48 7.81 31 V 8.50 3.24 2.23 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 0.94 0.00 0.00 0.93 0.00 0.00 32 G 7.90 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.66 4.57 0.00 1.91 2.20 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 2.18 2.23 0.00 34 I 8.00 3.75 2.05 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 1.52 0.51 0.91 0.00 0.00 35 E 8.02 4.29 0.00 1.93 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 2.31 2.37 0.00 36 A 7.64 4.57 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 Q 7.56 3.95 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.40 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 *39 N 8.18 4.73 0.00 2.85 2.89 0.00 0.00 6.57 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 40 E 7.73 4.19 0.00 2.03 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 2.30 0.00 41 A 7.80 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 42 I 7.65 3.75 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 1.63 0.54 0.91 0.00 0.00 43 D 7.76 4.32 0.00 3.07 2.71 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 44 A 8.00 4.09 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 45 A 8.01 3.89 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 46 K 8.14 3.87 0.00 1.97 1.88 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.58 7.81 47 A 7.44 4.21 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 48 R 8.19 3.79 0.00 2.02 1.98 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 49 A 8.17 3.92 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 50 S 8.19 4.11 0.00 3.89 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 51 Q 7.70 3.81 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 52 K 8.20 4.15 0.00 1.75 1.85 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.58 7.81 53 S 7.91 4.59 0.00 4.06 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 54 A 7.45 3.95 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 55 P 0.00 4.19 0.00 2.16 2.10 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 56 L 7.93 3.96 0.00 1.71 1.71 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.95 4.05 0.00 1.67 1.72 0.96 0.70 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 58 A 8.11 4.11 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 59 R 8.30 3.82 0.00 1.89 2.12 0.00 3.14 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 60 R 8.33 3.93 0.00 1.98 1.90 0.00 3.13 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 61 K 8.41 4.08 0.00 2.04 1.90 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.43 1.52 7.81 62 E 7.23 3.74 0.00 2.25 1.91 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 2.39 2.58 0.00 63 L 7.75 4.01 0.00 1.78 1.68 0.91 1.24 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 64 E 8.01 3.92 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 2.32 2.37 0.00 65 D 9.67 4.15 0.00 2.91 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 66 G 6.44 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 0.00 0.00 0.00 67 V 8.32 3.70 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 1.07 0.00 0.00 0.95 0.00 0.00 68 A 10.60 4.05 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 69 T 7.95 3.86 4.31 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 0.00 0.00 0.00 1.25 0.00 0.00 70 F 8.07 4.13 0.00 3.10 3.41 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 71 A 8.77 3.96 1.53 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 72 T 9.11 4.28 4.36 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 1.50 0.00 0.00 73 L 7.69 4.00 0.00 1.76 1.75 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 74 N 7.23 4.88 0.00 2.39 2.51 0.00 0.00 6.97 7.50 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 75 K 8.96 4.52 0.00 1.85 1.79 0.00 1.09 0.00 0.00 1.31 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.00 7.81 76 T 8.02 4.01 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 1.18 0.00 0.00 77 E 7.98 4.04 0.00 2.06 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 2.42 0.00 *79 F 7.67 4.43 0.00 3.12 3.30 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 *83 K 8.20 4.44 0.00 1.84 1.76 0.00 1.69 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.50 7.81 84 S 8.64 5.05 0.00 3.90 3.91 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 85 L 8.91 4.13 0.00 1.61 1.66 0.83 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.83 4.70 0.00 2.75 2.57 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 87 L 8.51 4.63 0.00 1.90 1.67 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 88 G 9.59 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 89 F 7.93 4.56 0.00 3.15 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 90 G 7.38 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 0.00 0.00 0.00 91 T 8.04 4.93 4.27 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 1.33 0.00 0.00 92 I 8.79 4.60 1.94 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.28 0.98 0.00 0.00 93 G 7.49 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 94 F 7.45 4.63 0.00 2.88 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 95 R 8.53 4.63 0.00 1.71 1.76 0.00 3.22 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 96 L 8.41 4.50 0.00 1.67 1.60 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.54 4.68 0.00 3.93 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 98 T 8.43 4.39 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 1.21 0.00 0.00 99 Q 8.40 4.61 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 100 I 8.21 4.31 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 1.30 0.71 0.92 0.00 0.00 101 V 7.88 4.63 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 0.84 0.00 0.00 0.93 0.00 0.00 102 Q 8.21 4.41 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.41 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 *104 S 8.72 4.54 0.00 4.00 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 0.00 105 K 7.92 4.52 0.00 1.75 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.43 7.81 106 I 7.64 4.38 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 1.47 0.88 0.91 0.00 0.00 107 T 8.26 4.25 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 1.21 0.00 0.00 108 K 8.50 4.21 0.00 1.93 1.84 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.46 7.81 109 D 7.84 4.40 0.00 2.74 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 *111 T 8.10 4.27 4.42 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 1.22 0.00 0.00 112 L 7.88 3.95 0.00 1.84 1.71 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.99 3.94 0.00 1.99 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 2.26 2.31 0.00 114 R 7.76 3.49 0.00 1.98 1.68 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 115 L 8.40 4.07 0.00 1.76 1.77 0.97 0.91 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 0.00 116 R 7.49 4.03 0.00 1.95 2.06 0.00 3.31 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 117 Q 8.22 3.83 0.00 1.89 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.64 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 118 F 7.81 4.83 0.00 3.13 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 0.00 119 G 8.34 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 0.00 0.00 0.00 120 I 8.09 4.22 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.24 0.96 0.00 0.00 121 S 8.53 4.32 0.00 3.96 4.12 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 0.00 122 E 8.35 4.01 0.00 2.10 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 2.30 2.28 0.00 123 G 7.62 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.58 4.43 1.88 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 1.30 0.71 0.91 0.00 0.00 125 R 8.54 4.56 0.00 1.78 1.85 0.00 3.16 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 1.54 1.62 0.00 126 I 8.18 4.46 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 1.30 0.59 0.91 0.00 0.00 127 K 8.31 4.36 0.00 1.64 1.65 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.38 7.81 128 E 8.51 4.64 0.00 1.99 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 0.00 2.24 2.27 0.00 129 D 7.99 4.66 0.00 2.54 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 0.00 130 V 8.06 3.79 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 0.72 0.00 0.00 0.90 0.00 0.00 131 N 8.38 4.55 0.00 2.70 2.60 0.00 0.00 6.97 6.37 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 0.00 132 K 8.28 4.11 0.00 1.81 1.83 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 133 E 7.73 4.22 0.00 1.92 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 2.24 2.18 0.00 134 A 7.46 4.17 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 *136 Q 8.30 4.08 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.12 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 137 G 7.46 4.04 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 0.00 0.00 0.00 138 W 7.95 4.60 0.00 3.25 3.11 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 0.00 0.00 0.00 139 P 0.00 4.53 0.00 2.59 2.19 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 140 D 8.73 4.47 0.00 2.81 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 0.00 141 E 8.05 4.02 0.00 1.89 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 2.30 2.46 0.00 142 R 7.86 3.97 0.00 1.62 1.28 0.00 2.87 0.00 0.00 2.60 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 143 L 8.05 4.51 0.00 1.96 1.98 0.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.01 4.35 0.00 2.16 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 2.33 2.51 0.00 *146 V 7.68 3.87 2.20 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 1.01 0.00 0.00 1.27 0.00 0.00 147 G 8.24 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 0.00 148 L 8.26 4.90 0.00 1.75 1.54 0.83 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.21 4.63 0.00 1.82 1.75 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.39 7.81 150 R 8.63 3.88 0.00 1.80 1.92 0.00 3.28 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 151 R 8.51 4.32 0.00 1.80 1.82 0.00 3.25 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 152 T 8.40 4.39 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 0.00 153 T 8.27 4.28 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 1.26 0.00 0.00 154 D 8.59 4.60 0.00 2.65 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 0.00 155 A 8.10 4.82 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 0.00 156 F 8.81 4.79 0.00 2.86 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 0.00 157 Y 8.32 4.45 0.00 2.95 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 0.00 158 I 7.71 3.91 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 1.08 -0.20 0.81 0.00 0.00 159 E 8.11 4.62 0.00 2.11 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 2.23 2.35 0.00 160 I 7.76 3.69 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 1.40 0.62 0.91 0.00 0.00 161 N 8.60 4.54 0.00 2.71 2.73 0.00 0.00 6.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.