NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4921 8.3231 115.5699 58.5366 64.7899 172.0555 8 G 4.1113 8.4750 107.7447 43.4579 0.0000 170.7329 9 W 5.3276 8.8296 117.4032 55.7943 32.6447 171.6689 10 I 5.0029 9.5392 120.9245 59.5250 39.9103 174.7219 11 E 5.1344 9.4608 126.2172 54.6703 32.6432 174.3408 12 C 5.1815 9.1690 124.9722 57.6564 34.3259 172.2653 13 I 4.9650 9.1165 127.4530 59.9724 39.4774 174.7251 14 T 5.4922 9.2205 121.2785 59.5395 71.8774 172.4367 15 G 4.6327 8.7411 108.6699 43.7577 0.0000 174.6761 16 S 4.3837 8.5052 120.5746 59.1855 61.3233 175.9074 *18 F 4.5383 9.1524 112.5587 56.9857 40.2498 175.4869 19 S 4.3695 8.1053 114.9984 58.6294 63.4773 174.8801 20 G 3.8956 8.1901 109.5880 46.6855 0.0000 175.4480 21 K 3.8346 8.3490 121.1482 59.7266 31.9705 179.0668 22 S 4.1145 7.9717 114.4915 61.4670 62.7662 176.4348 23 E 3.9749 8.0886 120.9509 59.3660 29.2917 178.8141 24 E 3.9260 8.4104 119.5021 58.9587 29.6828 178.4157 25 L 3.9234 8.1497 120.6416 58.4318 42.0714 179.0899 26 I 3.6813 7.7754 119.5105 64.2729 36.8724 178.2237 27 R 3.9066 8.1568 119.5876 59.7179 29.6528 178.8038 28 R 3.9861 7.8023 116.3398 59.2404 30.4814 178.7045 29 L 4.1066 8.0648 118.8428 57.8518 41.6958 179.6108 30 R 3.8557 8.3672 118.7935 59.2039 29.8853 178.6373 31 R 4.2086 7.9407 118.4810 59.1744 30.0025 178.9268 32 G 3.8553 7.9466 105.1191 48.7766 0.0000 175.6240 33 I 3.6273 7.5357 121.7659 64.4064 37.0041 178.0340 34 Y 4.2097 7.5689 114.9459 60.0141 37.6919 177.2139 35 A 4.4809 7.5431 119.8264 51.0134 19.1454 176.9572 36 K 3.8434 8.0354 116.2455 57.8608 30.1700 175.9565 37 Q 4.5745 7.9773 117.0566 54.9087 31.1887 174.7781 38 K 4.4438 9.1622 123.2715 55.4552 33.8544 175.5519 39 V 4.9188 8.2684 126.3903 61.2084 34.8899 174.3779 40 V 4.9666 8.6891 120.0892 59.3616 35.9774 174.8351 41 V 4.7204 8.3108 122.2052 60.0287 34.3186 174.3989 42 F 5.1976 9.3445 124.8532 56.1904 40.7725 175.0401 43 K 4.9465 9.0729 121.6883 54.2340 36.1627 173.8795 44 P 4.3438 0.0000 0.0000 63.3347 31.8805 175.5175 45 A 4.2896 8.4251 126.2540 50.3920 19.7465 176.6496 *57 S 4.2744 8.4761 116.0463 58.9238 63.6748 172.7034 58 H 4.6766 9.2977 126.4998 55.8939 32.5776 172.9627 59 N 4.2203 9.9466 125.4675 54.2582 36.0655 174.7776 60 G 3.9510 8.3708 105.9893 45.1524 0.0000 173.3095 61 N 4.5828 8.0130 118.9178 52.3024 39.5838 173.6959 62 A 4.9136 8.0738 127.1650 49.8563 22.4460 175.1534 63 I 3.8976 8.1577 121.4126 61.4508 37.9298 175.3319 64 E 4.2784 8.9964 128.8949 55.1901 30.5563 174.6070 65 A 4.8613 8.4009 129.2283 50.6713 20.8450 176.0511 66 I 4.3761 8.5190 122.8562 59.4427 40.6359 174.3582 67 N 5.3108 8.8572 125.4249 52.3995 39.5354 174.7466 68 I 4.9836 8.9690 117.0237 58.3807 40.7720 176.4271 69 S 4.8558 9.5987 119.6207 59.2573 64.1639 174.8129 70 K 4.8223 8.0548 120.1485 54.1283 35.3511 176.3029 71 A 3.4606 9.1287 128.7614 55.2067 18.3769 179.8314 72 S 4.1298 7.9939 108.8980 61.1695 63.2851 175.4101 73 E 4.0678 8.1236 120.8279 59.4624 29.3899 179.5621 74 I 2.9813 7.3918 118.4592 61.7616 36.5450 177.6349 *76 T 4.2982 7.8751 110.7020 61.3604 70.4087 173.3891 77 H 4.5482 7.7771 119.4948 54.5901 29.8177 174.7560 78 D 4.5132 8.6078 123.0399 54.2761 40.4860 175.4045 79 L 4.6803 8.3259 125.9197 54.5167 42.3189 178.6366 80 T 3.8517 8.0605 111.4406 64.7263 68.4634 174.7092 81 N 4.7230 8.0658 116.2402 52.6436 38.7603 174.2832 82 V 4.1766 7.6288 119.5005 61.7677 32.9494 175.4982 83 D 4.5841 8.9901 127.6995 56.5835 42.1698 176.6524 84 V 4.7480 7.6521 117.5089 60.9139 34.9999 174.1593 85 I 4.8186 8.8043 128.5122 59.5836 40.0289 174.8514 86 G 4.3738 9.3396 115.3743 45.0093 0.0000 172.4915 87 I 5.2500 8.7590 122.7207 59.6308 40.9219 174.3728 88 D 4.9243 9.1529 127.2398 52.2941 43.3288 175.4596 89 E 3.8479 8.4038 118.9216 57.6218 27.1760 177.2190 90 V 4.0881 8.1594 112.7817 64.0155 32.3040 179.3306 91 Q 4.0969 7.8812 116.9063 58.3749 28.4234 177.3882 92 F 3.8540 7.8941 120.8519 60.4734 39.3720 175.1208 93 F 4.7523 7.6348 118.4072 56.1997 40.7186 174.5765 94 D 4.9693 8.1194 120.8693 52.5370 41.7520 176.2439 95 D 4.4577 8.5938 116.1345 57.1862 40.9995 178.4292 96 E 3.9264 9.2417 120.5048 59.5852 29.4505 178.4468 97 I 3.5483 7.6726 118.1306 63.5353 37.8019 178.1731 98 V 3.5492 7.7315 119.6913 66.0769 31.4193 178.2419 99 S 4.0985 7.9962 113.4203 61.2461 62.7754 176.3197 100 I 3.5945 7.4368 123.7201 64.2729 36.8759 178.5033 101 V 3.5456 7.8988 119.2017 65.9199 31.2516 177.8769 102 E 3.9571 8.4259 118.6291 59.2038 29.2787 179.2045 103 K 3.8886 8.3650 119.9666 59.5228 32.4214 178.6790 104 L 4.0377 8.2433 119.8619 57.9699 41.5816 179.8091 105 S 4.3263 8.2610 113.8945 61.2847 62.7384 176.1823 106 A 4.0322 8.0306 123.7667 55.1331 18.2684 178.9018 107 D 4.5091 8.2626 115.0167 55.3857 40.9177 177.3947 108 G 4.0195 7.8914 107.9925 45.0731 0.0000 173.5260 109 H 4.5075 7.9196 117.0594 54.9629 30.5721 174.6575 110 R 3.3357 8.1141 122.5048 55.7525 31.0517 175.1181 111 V 4.6347 8.3521 127.4588 61.1175 34.0075 174.1652 112 I 4.9543 8.7625 129.1056 59.7336 39.7820 174.8442 113 V 4.9910 8.9722 121.0000 59.4411 34.5287 174.8902 114 A 5.1611 8.6751 125.7454 50.3345 22.6340 175.2800 115 G 4.2023 8.4315 107.3309 45.4219 0.0000 172.5822 116 L 4.9579 9.1474 120.9848 54.0893 41.8477 177.9300 117 D 4.4045 8.8798 121.3631 54.9115 40.3363 175.4897 *119 D 4.8643 7.6787 119.3887 52.6996 40.3679 175.7250 120 F 4.6338 8.9383 112.4314 59.3460 37.5387 176.3484 121 R 3.8226 7.2465 117.8627 56.2624 30.1543 177.1365 122 G 3.8898 8.2554 106.4937 45.7041 0.0000 173.3132 123 E 4.2491 8.1484 119.1107 54.3581 30.3289 174.8227 124 P 4.4771 0.0000 0.0000 63.2773 32.1876 175.7275 125 F 4.5511 8.9462 127.2145 56.5601 39.6348 175.2451 126 E 4.2048 9.0501 126.3349 56.3442 30.5238 175.7663 127 P 4.5756 0.0000 0.0000 60.8911 31.3796 173.9041 *129 P 4.3240 0.0000 0.0000 62.5319 33.5210 178.4851 130 K 4.1110 7.9943 118.5607 59.5052 32.3314 179.3450 131 L 3.9868 7.8760 116.6842 55.0324 40.7596 178.8109 *133 A 4.2620 8.0657 123.5599 52.0619 20.1545 179.0128 134 V 4.0898 7.6063 106.1893 61.9254 32.3291 176.6908 135 S 4.6234 7.4484 116.4657 57.6738 63.7058 174.2067 136 E 4.2677 8.9236 122.8791 59.0138 29.9604 177.4685 137 Q 4.7538 8.3543 116.9609 53.9990 33.0663 175.0584 138 V 4.8426 8.3858 121.4523 61.6166 34.8169 174.3087 139 T 4.5689 9.3357 124.6660 61.6894 71.3985 172.8424 140 K 4.8930 8.7079 128.6036 54.9111 32.8876 175.6187 141 L 4.5425 9.0791 128.6293 54.3057 43.2823 176.2131 142 Q 4.6787 8.6645 120.1513 54.6278 31.8453 175.1859 143 A 4.9993 8.1694 122.4953 50.7159 22.5549 175.0053 144 V 4.6933 8.1810 113.8577 61.0791 34.2447 176.5471 145 C 4.4490 9.4285 128.9135 59.6903 31.8345 174.3386 146 A 4.0769 8.9008 129.5973 54.2717 18.4753 178.8067 147 V 3.7799 7.8153 115.3925 65.1389 31.8016 176.4469 148 C 4.6013 7.8186 110.0098 56.9422 30.8248 174.7251 149 G 3.8703 8.3453 108.6870 45.6440 0.0000 173.6782 150 S 4.5998 7.5249 114.8757 57.0442 65.3288 173.5131 151 S 4.7514 8.6469 116.4884 59.0526 63.2847 174.2830 152 S 5.0776 9.0761 118.5437 56.6761 65.8808 174.3888 153 S 4.8496 8.8299 112.9480 57.8567 64.4356 173.3789 154 R 4.7808 8.3016 119.5052 54.7982 34.0557 174.4989 155 T 5.1743 8.3266 116.8303 62.0170 71.4001 173.1600 156 Q 4.6485 9.4233 129.5458 55.4685 30.5944 174.2491 157 R 4.6024 8.7635 126.9900 54.8279 32.2056 174.5324 158 L 5.1228 8.6497 126.1415 52.9079 45.2450 175.4106 159 I 4.6992 8.5479 123.9616 59.8236 40.4329 175.6845 160 N 3.8586 10.3706 126.5879 54.3268 36.5595 175.5816 161 G 4.0007 8.4190 105.1535 45.1098 0.0000 173.7476 162 K 4.6484 7.5639 118.5693 53.2894 35.1694 173.5589 163 P 4.6982 0.0000 0.0000 63.1400 31.8667 176.2199 164 A 4.2321 8.8204 125.8868 52.3508 19.7280 177.0378 165 K 4.7315 9.6167 120.2957 55.5278 33.3172 178.1879 166 I 3.6634 8.5794 123.6555 63.5872 37.9403 176.4922 167 D 4.9762 7.8815 117.3011 52.8080 39.5622 175.4929 168 D 4.5425 8.1864 120.5783 53.8543 41.2413 174.9084 169 P 4.5631 0.0000 0.0000 62.5839 32.1422 176.5966 170 I 3.8838 8.4817 120.7579 64.0074 37.3031 176.7668 171 I 4.4028 7.5747 119.9717 59.6605 38.3641 174.8507 172 L 4.8460 8.2452 123.5682 52.8093 45.3712 175.7132 173 V 4.1656 8.1330 119.5295 62.2555 32.9303 176.3187 174 G 3.8883 8.9464 114.1961 45.8669 0.0000 172.7611 175 A 4.2672 7.2008 122.4295 51.1134 19.5918 177.6510 176 N 4.7856 8.5709 120.1874 52.8705 39.3107 174.2559 177 E 5.2784 8.6026 121.3824 54.7970 33.1863 174.5729 178 S 4.8203 8.7188 114.7184 57.3834 67.1647 172.1157 179 Y 5.4732 8.7162 117.3402 56.4034 41.2309 174.8617 180 E 4.4545 9.2055 119.8701 53.8358 33.8363 172.5723 181 P 5.0990 0.0000 0.0000 63.1727 32.9395 175.2910 182 R 5.0850 8.9969 121.1740 54.3375 35.0602 174.8400 183 C 4.6018 8.7199 116.5749 57.6601 30.7845 174.3931 184 R 3.8660 8.8248 120.3730 59.6633 29.5392 178.4974 185 A 4.0049 8.0023 118.5587 54.5023 18.4682 177.3683 186 H 4.8562 7.9764 110.4940 55.6183 29.8083 173.2494 187 H 4.8210 7.8586 120.9481 55.2409 30.3311 174.4102 188 I 4.4035 8.8897 127.7171 59.3746 39.7100 174.7597 189 V 4.3671 8.2400 125.1953 60.8103 32.8027 175.1490 190 A 4.2809 8.7180 130.6000 51.0867 19.4953 175.0014 191 P 4.6301 0.0000 0.0000 62.5229 32.4290 176.8499 192 S 4.3043 8.4881 115.7596 58.7048 63.2549 174.0482 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 7 S 8.32 4.49 0.00 3.95 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 8 G 8.48 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 9 W 8.83 5.33 0.00 3.49 3.26 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 10 I 9.54 5.00 1.93 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 1.22 1.47 0.96 0.00 0.00 11 E 9.46 5.13 0.00 1.90 1.92 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 2.63 2.51 0.00 12 C 9.17 5.18 0.00 3.00 2.87 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 13 I 9.12 4.96 1.89 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 1.14 0.87 0.92 0.00 0.00 14 T 9.22 5.49 4.26 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 1.29 0.00 0.00 15 G 8.74 4.63 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 0.00 0.00 0.00 16 S 8.51 4.38 0.00 4.11 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 *18 F 9.15 4.54 0.00 3.16 3.19 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 0.00 0.00 0.00 19 S 8.11 4.37 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 20 G 8.19 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 21 K 8.35 3.83 0.00 1.78 1.88 0.00 1.75 0.00 0.00 2.01 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.55 7.81 22 S 7.97 4.11 0.00 3.83 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 23 E 8.09 3.97 0.00 2.17 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 2.40 2.36 0.00 24 E 8.41 3.93 0.00 2.09 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 2.38 0.00 25 L 8.15 3.92 0.00 1.79 1.86 0.96 1.33 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 26 I 7.78 3.68 1.99 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 1.65 0.79 0.90 0.00 0.00 27 R 8.16 3.91 0.00 1.99 2.10 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 28 R 7.80 3.99 0.00 2.00 2.01 0.00 3.26 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 29 L 8.06 4.11 0.00 1.81 1.67 0.88 0.64 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 30 R 8.37 3.86 0.00 1.94 2.10 0.00 3.29 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 31 R 7.94 4.21 0.00 2.19 2.05 0.00 3.55 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 32 G 7.95 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 0.00 0.00 0.00 33 I 7.54 3.63 1.64 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 1.68 0.78 0.72 0.00 0.00 34 Y 7.57 4.21 0.00 3.01 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 35 A 7.54 4.48 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 36 K 8.04 3.84 0.00 1.94 1.95 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.45 7.81 37 Q 7.98 4.57 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 38 K 9.16 4.44 0.00 1.84 1.76 0.00 1.41 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.38 7.81 39 V 8.27 4.92 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 0.90 0.00 0.00 0.89 0.00 0.00 40 V 8.69 4.97 1.77 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 0.64 0.00 0.00 0.61 0.00 0.00 41 V 8.31 4.72 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 0.82 0.00 0.00 0.91 0.00 0.00 42 F 9.34 5.20 0.00 2.91 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 43 K 9.07 4.95 0.00 1.66 1.82 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.49 7.81 44 P 0.00 4.34 0.00 1.21 0.49 0.00 3.50 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.34 0.00 45 A 8.43 4.29 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 *57 S 8.48 4.27 0.00 3.82 3.78 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 58 H 9.30 4.68 0.00 2.95 2.71 0.00 5.98 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 9.95 4.22 0.00 2.53 2.72 0.00 0.00 7.35 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 60 G 8.37 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 61 N 8.01 4.58 0.00 2.79 2.78 0.00 0.00 6.65 7.46 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 62 A 8.07 4.91 1.14 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 0.00 0.00 63 I 8.16 3.90 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.49 0.82 0.00 0.00 64 E 9.00 4.28 0.00 1.96 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 65 A 8.40 4.86 1.14 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 0.00 0.00 66 I 8.52 4.38 1.22 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.36 0.88 0.00 0.00 67 N 8.86 5.31 0.00 2.58 2.74 0.00 0.00 6.93 7.45 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 68 I 8.97 4.98 2.00 0.00 0.00 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 1.48 1.88 1.18 0.00 0.00 69 S 9.60 4.86 0.00 4.08 4.09 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 70 K 8.05 4.82 0.00 1.82 1.64 0.00 1.79 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.49 7.81 71 A 9.13 3.46 1.08 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 72 S 7.99 4.13 0.00 3.95 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 0.00 73 E 8.12 4.07 0.00 2.21 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 2.37 2.39 0.00 74 I 7.39 2.98 1.50 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.76 0.25 0.00 0.00 *76 T 7.88 4.30 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 1.19 0.00 0.00 77 H 7.78 4.55 0.00 3.45 3.36 0.00 5.65 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 78 D 8.61 4.51 0.00 2.63 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 79 L 8.33 4.68 0.00 1.73 1.59 1.01 0.77 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 80 T 8.06 3.85 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 1.23 0.00 0.00 81 N 8.07 4.72 0.00 2.73 2.87 0.00 0.00 6.77 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 82 V 7.63 4.18 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 0.80 0.00 0.00 0.91 0.00 0.00 83 D 8.99 4.58 0.00 2.74 2.67 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 84 V 7.65 4.75 2.02 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 7.63 4.75 0.00 3.15 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 94 D 8.12 4.97 0.00 2.83 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 D 8.59 4.46 0.00 2.75 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 96 E 9.24 3.93 0.00 2.05 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 0.00 2.25 2.29 0.00 97 I 7.67 3.55 1.81 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.14 1.03 0.00 0.00 98 V 7.73 3.55 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 1.09 0.00 0.00 0.98 0.00 0.00 99 S 8.00 4.10 0.00 4.07 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 0.00 100 I 7.44 3.59 1.87 0.00 0.00 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 1.30 0.62 0.72 0.00 0.00 101 V 7.90 3.55 2.25 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 1.01 0.00 0.00 0.90 0.00 0.00 102 E 8.43 3.96 0.00 2.16 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 2.34 2.56 0.00 103 K 8.37 3.89 0.00 1.90 1.93 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.52 7.81 104 L 8.24 4.04 0.00 1.78 1.68 0.80 0.46 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 0.00 105 S 8.26 4.33 0.00 4.09 4.09 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 0.00 106 A 8.03 4.03 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 0.00 107 D 8.26 4.51 0.00 2.86 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 0.00 108 G 7.89 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 0.00 0.00 0.00 109 H 7.92 4.51 0.00 3.22 3.11 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.11 3.34 0.00 0.77 1.34 0.00 2.92 0.00 0.00 2.94 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 111 V 8.35 4.63 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 0.72 0.00 0.00 0.84 0.00 0.00 112 I 8.76 4.95 1.85 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 1.18 0.60 0.92 0.00 0.00 113 V 8.97 4.99 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 0.73 0.00 0.00 1.01 0.00 0.00 114 A 8.68 5.16 1.19 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 0.00 0.00 0.00 0.00 0.00 115 G 8.43 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 0.00 116 L 9.15 4.96 0.00 1.26 1.69 0.87 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.88 4.40 0.00 2.87 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.90 4.08 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 0.00 147 V 7.82 3.78 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 0.56 0.00 0.00 0.88 0.00 0.00 148 C 7.82 4.60 0.00 3.10 2.94 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 0.00 149 G 8.35 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 0.00 150 S 7.52 4.60 0.00 3.93 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 0.00 151 S 8.65 4.75 0.00 3.80 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 0.00 152 S 9.08 5.08 0.00 4.04 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 0.00 153 S 8.83 4.85 0.00 3.86 3.97 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 0.00 154 R 8.30 4.78 0.00 1.82 1.48 0.00 3.09 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 155 T 8.33 5.17 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 1.60 0.00 0.00 156 Q 9.42 4.65 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 157 R 8.76 4.60 0.00 1.81 1.59 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.65 0.00 158 L 8.65 5.12 0.00 1.43 1.43 0.88 0.65 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 0.00 159 I 8.55 4.70 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.62 0.85 0.00 0.00 160 N 10.37 3.86 0.00 2.75 2.83 0.00 0.00 7.19 7.98 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 0.00 161 G 8.42 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 0.00 162 K 7.56 4.65 0.00 1.75 1.66 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.49 7.81 163 P 0.00 4.70 0.00 1.93 2.22 0.00 3.68 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 2.03 2.11 0.00 164 A 8.82 4.23 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 165 K 9.62 4.73 0.00 1.80 1.76 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.40 7.81 166 I 8.58 3.66 1.86 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 1.30 0.67 0.94 0.00 0.00 167 D 7.88 4.98 0.00 2.81 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 0.00 168 D 8.19 4.54 0.00 2.97 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 0.00 169 P 0.00 4.56 0.00 2.35 2.08 0.00 3.79 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 2.00 2.00 0.00 170 I 8.48 3.88 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.75 1.00 0.00 0.00 171 I 7.57 4.40 1.89 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 1.44 0.57 0.93 0.00 0.00 172 L 8.25 4.85 0.00 1.54 1.51 0.92 0.86 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 0.00 173 V 8.13 4.17 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 1.01 0.00 0.00 0.94 0.00 0.00 174 G 8.95 3.89 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 0.00 0.00 0.00 175 A 7.20 4.27 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 0.00 176 N 8.57 4.79 0.00 2.77 2.76 0.00 0.00 6.38 7.48 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 0.00 177 E 8.60 5.28 0.00 1.83 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 2.14 2.29 0.00 178 S 8.72 4.82 0.00 3.88 3.93 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 0.00 179 Y 8.72 5.47 0.00 3.17 3.23 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 0.00 180 E 9.21 4.45 0.00 1.83 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 2.19 2.25 0.00 181 P 0.00 5.10 0.00 2.30 2.38 0.00 3.30 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.83 0.00 182 R 9.00 5.09 0.00 1.84 1.88 0.00 3.37 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 183 C 8.72 4.60 0.00 3.13 3.25 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 0.00 184 R 8.82 3.87 0.00 1.88 2.00 0.00 3.19 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 185 A 8.00 4.00 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 0.00 186 H 7.98 4.86 0.00 3.15 3.32 0.00 5.85 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 0.00 187 H 7.86 4.82 0.00 3.23 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 I 8.89 4.40 1.86 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 1.18 0.80 0.90 0.00 0.00 189 V 8.24 4.37 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 0.78 0.00 0.00 0.89 0.00 0.00 190 A 8.72 4.28 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 0.00 191 P 0.00 4.63 0.00 1.95 2.00 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 192 S 8.49 4.30 0.00 4.31 3.85 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.