NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3320 8.1693 122.4976 55.1950 43.1681 176.2988 5 T 4.5518 8.0712 115.8065 58.6063 73.0032 171.5550 6 E 3.9770 9.3354 122.9593 59.5302 30.2640 179.9021 7 E 4.0202 8.1388 118.1516 59.0091 29.5215 179.0626 8 Q 3.6572 7.6867 118.5078 59.1443 29.1610 178.0031 9 I 4.0317 7.6153 120.3720 64.5663 37.1835 178.1646 10 A 4.0289 8.0695 121.4050 55.1554 18.1875 179.2425 11 E 3.8464 7.9515 117.3896 59.6015 29.6275 179.1576 12 F 4.7851 7.9936 117.7359 60.4816 38.8678 177.8345 13 K 4.1119 8.8490 119.0014 59.6206 32.0793 179.2673 14 E 4.0229 8.5762 117.5644 59.0650 29.1522 179.0660 15 A 4.1498 8.3256 122.0224 55.1629 18.5093 179.2928 16 F 3.6912 8.6274 119.4075 61.5137 39.1907 177.4811 17 S 4.1024 8.3795 113.9773 61.3763 62.6098 176.0114 18 L 3.9156 7.5743 122.0934 57.9258 41.7762 178.6201 19 F 4.3769 7.2371 116.6290 59.3086 40.8927 177.3603 20 D 4.5105 7.7975 119.5071 52.9218 37.2539 176.1624 21 K 3.7823 7.9938 123.1602 59.2460 32.5735 177.9985 22 D 4.5310 8.0280 114.6438 52.7726 39.5985 176.3147 23 G 3.9759 7.7347 107.6793 47.0133 0.0000 174.0222 24 D 4.5789 8.4761 116.9044 52.8514 39.3319 177.2827 25 G 4.1627 9.4070 109.0475 45.7700 0.0000 173.1189 26 T 5.1814 8.1092 108.3999 59.9633 72.4033 173.2718 27 I 4.6586 8.8538 124.5770 59.9768 39.4939 175.3230 28 T 4.8316 8.7811 117.4669 60.0724 71.2976 175.9144 29 T 3.8386 8.5036 112.6579 64.7778 68.6704 176.3949 30 K 3.9101 7.9684 121.9207 59.4288 32.2163 178.5144 31 E 3.9839 8.1217 118.7766 59.1750 29.3060 178.9776 32 L 4.2206 8.2562 120.6813 58.3247 42.0924 179.1066 33 G 3.7478 8.3095 105.6662 48.2469 0.0000 175.6267 34 T 3.8551 7.7070 117.3131 66.5654 68.3102 176.9511 35 V 3.5557 7.3478 118.6913 66.0767 31.9201 177.6849 36 M 4.2375 8.3304 118.6240 58.4701 31.7702 178.9099 37 R 4.5267 8.5155 120.0093 58.8606 30.0689 179.3225 38 S 4.1447 7.8917 112.5983 60.8957 62.8656 175.4783 39 L 4.4091 7.3990 120.3408 54.6517 41.5411 176.3420 40 G 4.0990 8.2535 109.0772 45.6595 0.0000 174.7123 41 Q 4.2112 7.6905 117.3963 56.3671 29.6804 175.3427 42 N 5.0923 8.0374 116.6364 51.8102 39.1273 172.0364 43 P 4.6831 0.0000 0.0000 62.2605 33.0951 177.5856 44 T 4.3652 8.8100 111.2316 60.8461 71.3289 175.7741 45 E 3.9633 8.5923 120.1651 59.4759 29.4432 179.4542 46 A 3.9876 7.9428 120.3436 55.1781 18.5090 179.3894 47 E 3.9348 8.1539 116.9625 59.5264 29.6435 179.6007 48 L 4.0023 7.9742 119.0589 57.8896 41.6115 179.4144 49 Q 4.0132 8.3631 119.6207 59.0699 28.8079 177.9470 50 D 4.3369 8.1438 120.1732 57.5657 40.6292 178.5301 51 M 4.3326 7.7507 119.4281 57.8393 32.2497 178.7204 52 I 3.8440 7.6777 119.5443 64.5924 35.8693 178.0245 53 N 4.3258 8.4152 117.8483 56.5163 37.8610 177.1356 54 E 4.1025 8.1926 118.2339 58.3488 29.5103 178.3496 55 V 4.1032 6.9497 117.1870 63.0996 33.3718 175.9858 56 D 4.6307 7.8601 120.7763 52.9681 39.0643 175.7002 57 A 3.9731 8.1922 126.2594 55.0595 18.7120 178.7171 58 D 4.5931 8.4406 111.7792 52.6833 39.6432 176.3624 59 G 4.0654 7.9412 107.3944 46.7961 0.0000 174.0957 60 N 4.5419 8.4107 115.0597 52.5863 37.7910 175.8172 61 G 4.0583 9.3987 108.6185 45.2784 0.0000 173.2038 62 T 4.8839 7.7620 107.6618 60.0829 72.6394 173.1992 63 I 4.7949 8.5252 122.9943 59.9360 39.3950 175.6379 64 D 5.4353 8.8310 126.9272 51.1185 42.2624 177.3190 65 F 3.6803 8.7388 119.2023 60.9949 39.0606 174.9035 66 P 4.1002 0.0000 0.0000 65.7085 31.1761 178.4318 67 E 3.9100 8.5686 117.2828 59.1813 29.3267 179.1982 68 F 4.0496 8.2499 120.6922 61.3130 39.5123 177.1822 69 L 3.4698 8.0076 118.9142 57.9286 41.3282 179.6821 70 T 3.7108 7.9316 115.8870 66.5639 68.2516 176.2555 71 M 3.8644 7.8501 120.0498 58.8959 32.1994 178.0609 72 M 3.7973 7.5141 118.3723 58.3713 31.8786 178.5184 73 A 3.9067 7.5534 119.3150 55.4040 18.7395 179.6536 74 R 3.9684 7.9991 116.4449 59.1465 30.0118 179.1988 75 K 4.0201 8.1986 119.6408 59.4064 31.9628 178.5734 76 M 4.1287 7.9979 117.8423 57.2763 31.9054 178.4272 77 K 4.3075 7.5088 118.4405 57.7608 32.4487 177.2385 78 D 4.6808 7.3521 117.7829 53.3944 44.0941 175.1266 79 T 4.7299 8.5808 117.8627 61.7043 70.2511 173.5121 80 D 4.8142 7.9797 121.5586 52.4511 41.4657 174.4946 81 S 4.5157 8.1658 119.9341 57.1235 65.8024 174.6199 82 E 5.2954 8.3519 131.8073 56.7431 31.9970 178.4890 83 E 3.9605 7.6533 118.8871 58.9912 29.2971 178.5448 84 E 4.0048 7.9484 117.8644 59.4928 29.5666 179.2567 85 I 4.0144 7.8337 119.3494 64.4622 37.2421 178.2830 86 R 4.0288 9.3570 120.5192 59.4050 29.6682 178.0392 87 E 3.9303 8.2790 117.8505 59.2584 29.9479 178.4045 88 A 4.2122 8.3338 120.6824 55.3327 18.6006 179.2613 89 F 3.5256 8.6111 119.4755 61.4939 39.1230 177.5383 90 R 3.9891 8.1740 116.6178 58.7346 29.8122 178.9665 91 V 3.6353 7.3977 117.8763 65.8573 31.5676 177.8256 92 F 4.3056 7.6692 115.7771 59.9301 40.1576 176.8176 93 D 4.5518 7.5275 119.6259 53.8752 37.0119 176.0843 94 K 3.8751 7.9370 124.7170 59.2219 32.7207 177.6784 95 D 4.4010 7.9557 116.2652 54.0018 39.6713 176.7647 96 G 3.8601 7.6972 107.7134 46.6734 0.0000 173.9138 97 N 4.5702 8.9580 115.8258 52.7809 37.7501 175.8890 98 G 3.8892 9.6611 108.7952 45.3011 0.0000 172.6268 99 Y 5.3922 8.2315 115.7294 56.3562 42.6076 174.6564 100 I 4.6444 8.7927 123.0714 59.9009 39.2669 175.5976 101 S 5.0023 8.7369 121.3274 56.6511 65.4576 175.2517 102 A 3.9612 8.6708 121.8628 55.3217 18.0250 179.9003 103 A 3.9896 7.9343 118.8840 55.3357 18.4903 179.6024 104 E 3.9810 8.0624 117.3189 59.2759 29.5897 179.2159 105 L 4.1609 8.2454 120.6877 58.2423 42.1944 179.0475 106 R 3.9322 8.1783 118.6614 59.6712 30.0398 177.9742 107 H 4.1317 8.2650 118.0651 59.1796 29.7395 177.4337 108 V 3.5309 8.0556 120.1263 66.4010 31.4202 177.9974 109 M 4.2108 8.1886 118.3913 58.5575 31.7452 178.9894 110 T 3.8674 7.9592 116.0422 66.6541 68.5050 176.1499 111 N 4.5728 7.7714 115.1774 54.4875 38.6152 176.2287 112 L 4.5528 7.0461 118.3779 53.8004 42.1567 176.6031 113 G 3.7825 7.7206 106.0159 46.1406 0.0000 173.6189 114 E 4.4083 8.7574 122.0754 54.5982 30.6172 176.8411 *115 K 4.3084 8.6033 126.6789 53.5890 31.8879 172.5610 116 L 5.0251 8.2228 124.8296 51.9521 44.2077 177.4367 117 T 4.2323 9.2030 113.8713 61.1941 71.0778 175.4616 118 D 4.3979 8.7432 123.0407 58.0730 40.9075 179.2018 119 E 3.9747 8.1707 118.7782 59.3279 29.6641 178.5630 120 E 4.0180 8.3375 118.8830 59.0253 29.4792 179.3781 121 V 3.5941 8.1680 118.7784 66.1799 31.5925 177.7634 122 D 4.3551 8.1305 118.5336 57.5150 40.7071 178.5781 123 E 3.9534 8.2593 119.7490 59.2539 29.3152 178.5031 124 M 4.0311 8.1775 118.4246 58.6317 32.2798 178.3463 125 I 3.6965 7.7630 119.9597 64.4082 37.0915 178.3375 126 R 3.9454 8.2597 121.1549 60.1722 29.9356 178.6979 127 E 4.0875 8.1972 116.9553 60.5469 29.7474 180.3025 128 A 4.8465 7.2816 118.9418 52.4878 19.8823 177.1573 129 D 4.4169 7.9686 115.8523 54.7953 41.2180 175.6699 130 I 3.9528 8.4284 128.7817 63.2524 37.6308 176.9716 131 D 4.7709 8.5542 118.1696 52.2552 39.2934 176.1147 132 G 4.1318 8.2618 105.2542 46.9648 0.0000 174.1275 133 D 4.4116 8.4870 116.8245 53.2962 39.7332 177.2530 134 G 3.8995 10.1439 109.5925 45.6765 0.0000 172.5552 135 Q 4.7656 8.7973 117.3630 54.2015 33.7873 174.4013 136 V 4.7967 8.5904 119.3303 61.4587 34.0601 174.9093 137 N 5.5788 9.3470 126.1486 51.3198 39.4171 175.6101 138 Y 3.2347 8.4462 119.1548 60.7414 38.4646 177.5655 139 E 3.7018 8.1551 119.2785 59.6065 29.5458 178.6339 140 E 3.9753 8.1310 117.8396 59.0801 29.6589 178.9550 141 F 3.9966 8.3079 120.8891 61.3102 39.4966 177.2885 142 V 3.3927 8.1763 118.3931 66.0696 31.0189 177.7074 143 Q 3.7984 7.8213 117.9947 59.3822 28.8538 177.9185 144 M 4.1318 7.4539 118.9165 58.1532 32.0742 178.4286 145 M 4.0707 7.4110 118.0836 58.1160 33.1429 178.2793 146 T 4.1913 8.3088 108.5615 60.0289 68.5398 174.4133 147 A 4.0461 7.5277 128.1744 54.1208 19.1170 176.7026 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 4 L 8.17 4.33 0.00 1.64 1.70 1.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.07 4.55 4.39 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 1.23 0.00 0.00 6 E 9.34 3.98 0.00 2.07 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 2.42 0.00 7 E 8.14 4.02 0.00 2.07 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 2.39 2.42 0.00 8 Q 7.69 3.66 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.53 2.22 0.00 9 I 7.62 4.03 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.87 1.08 0.00 0.00 10 A 8.07 4.03 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 11 E 7.95 3.85 0.00 2.07 1.58 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 0.00 2.25 2.29 0.00 12 F 7.99 4.79 0.00 3.61 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 13 K 8.85 4.11 0.00 2.04 1.89 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.55 7.81 14 E 8.58 4.02 0.00 2.24 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 0.00 2.62 2.43 0.00 15 A 8.33 4.15 1.90 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 16 F 8.63 3.69 0.00 2.74 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 17 S 8.38 4.10 0.00 4.05 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 18 L 7.57 3.92 0.00 1.51 1.63 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.24 4.38 0.00 2.87 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 20 D 7.80 4.51 0.00 1.95 2.36 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 21 K 7.99 3.78 0.00 1.88 1.84 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.36 7.81 22 D 8.03 4.53 0.00 2.73 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 23 G 7.73 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 24 D 8.48 4.58 0.00 2.85 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 25 G 9.41 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 26 T 8.11 5.18 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 1.29 0.00 0.00 27 I 8.85 4.66 1.82 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.36 0.85 0.00 0.00 28 T 8.78 4.83 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 29 T 8.50 3.84 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 1.21 0.00 0.00 30 K 7.97 3.91 0.00 1.89 1.85 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.59 7.81 31 E 8.12 3.98 0.00 2.23 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 2.32 2.31 0.00 32 L 8.26 4.22 0.00 1.98 1.70 0.91 1.05 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 33 G 8.31 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 34 T 7.71 3.86 4.40 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 1.19 0.00 0.00 35 V 7.35 3.56 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 0.64 0.00 0.00 0.74 0.00 0.00 36 M 8.33 4.24 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.92 0.00 37 R 8.52 4.53 0.00 2.06 1.98 0.00 3.14 0.00 0.00 3.41 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 38 S 7.89 4.14 0.00 4.00 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 39 L 7.40 4.41 0.00 1.84 1.70 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.25 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 41 Q 7.69 4.21 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 42 N 8.04 5.09 0.00 2.61 2.66 0.00 0.00 7.04 7.69 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 43 P 0.00 4.68 0.00 2.20 2.04 0.00 3.55 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 44 T 8.81 4.37 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 45 E 8.59 3.96 0.00 2.00 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 2.40 2.32 0.00 46 A 7.94 3.99 1.31 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 0.00 0.00 0.00 47 E 8.15 3.93 0.00 2.31 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 2.33 2.35 0.00 48 L 7.97 4.00 0.00 1.88 1.72 1.05 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.36 4.01 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 50 D 8.14 4.34 0.00 3.01 2.69 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 0.00 0.00 0.00 51 M 7.75 4.33 0.00 1.98 2.29 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 2.80 2.43 0.00 52 I 7.68 3.84 2.01 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 1.71 1.16 0.97 0.00 0.00 53 N 8.42 4.33 0.00 2.88 2.88 0.00 0.00 6.86 8.25 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 54 E 8.19 4.10 0.00 2.13 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 2.48 2.27 0.00 55 V 6.95 4.10 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 0.76 0.00 0.00 0.87 0.00 0.00 56 D 7.86 4.63 0.00 2.96 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 0.00 0.00 0.00 0.00 57 A 8.19 3.97 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 58 D 8.44 4.59 0.00 2.82 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 59 G 7.94 4.07 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 0.00 0.00 0.00 60 N 8.41 4.54 0.00 2.88 2.95 0.00 0.00 7.10 7.08 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 61 G 9.40 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.76 4.88 4.40 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 1.23 0.00 0.00 63 I 8.53 4.79 1.97 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 1.33 0.80 1.16 0.00 0.00 64 D 8.83 5.44 0.00 2.89 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 65 F 8.74 3.68 0.00 2.52 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 66 P 0.00 4.10 0.00 2.17 2.05 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 67 E 8.57 3.91 0.00 2.29 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 2.33 2.44 0.00 68 F 8.25 4.05 0.00 3.42 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 69 L 8.01 3.47 0.00 1.52 1.33 0.63 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.93 3.71 4.29 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 1.13 0.00 0.00 71 M 7.85 3.86 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 72 M 7.51 3.80 0.00 1.74 1.73 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.19 0.00 73 A 7.55 3.91 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 74 R 8.00 3.97 0.00 1.97 1.94 0.00 3.06 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 75 K 8.20 4.02 0.00 1.85 1.90 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.52 7.81 76 M 8.00 4.13 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 77 K 7.51 4.31 0.00 1.95 1.85 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.46 7.81 78 D 7.35 4.68 0.00 2.73 2.53 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 79 T 8.58 4.73 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 1.26 0.00 0.00 80 D 7.98 4.81 0.00 2.60 2.58 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 0.00 0.00 0.00 0.00 81 S 8.17 4.52 0.00 3.98 3.64 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 82 E 8.35 5.30 0.00 2.08 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 2.18 2.24 0.00 83 E 7.65 3.96 0.00 2.09 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 2.40 2.41 0.00 84 E 7.95 4.00 0.00 2.22 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 2.37 2.38 0.00 85 I 7.83 4.01 2.21 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 1.64 0.83 1.22 0.00 0.00 86 R 9.36 4.03 0.00 1.70 2.06 0.00 2.69 0.00 0.00 2.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 87 E 8.28 3.93 0.00 2.34 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 2.35 2.36 0.00 88 A 8.33 4.21 1.72 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 0.00 0.00 89 F 8.61 3.53 0.00 2.53 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 90 R 8.17 3.99 0.00 2.12 1.98 0.00 3.21 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 91 V 7.40 3.64 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 0.56 0.00 0.00 0.93 0.00 0.00 92 F 7.67 4.31 0.00 2.84 2.82 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 0.00 0.00 0.00 93 D 7.53 4.55 0.00 2.11 2.38 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 94 K 7.94 3.88 0.00 1.85 1.82 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.39 7.81 95 D 7.96 4.40 0.00 2.78 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 96 G 7.70 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 97 N 8.96 4.57 0.00 2.92 3.00 0.00 0.00 7.12 6.57 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 98 G 9.66 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 99 Y 8.23 5.39 0.00 2.87 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 0.00 100 I 8.79 4.64 1.81 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.82 0.79 0.00 0.00 101 S 8.74 5.00 0.00 3.94 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 0.00 102 A 8.67 3.96 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 0.00 103 A 7.93 3.99 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 0.00 104 E 8.06 3.98 0.00 2.16 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 2.34 2.33 0.00 105 L 8.25 4.16 0.00 1.77 1.87 1.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.18 3.93 0.00 1.96 2.18 0.00 3.18 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 107 H 8.26 4.13 0.00 3.39 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.06 3.53 2.21 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 0.69 0.00 0.00 0.96 0.00 0.00 109 M 8.19 4.21 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 3.04 0.00 110 T 7.96 3.87 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 0.00 111 N 7.77 4.57 0.00 2.58 2.77 0.00 0.00 6.99 8.59 0.00 0.00 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 L 7.05 4.55 0.00 1.61 1.63 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.72 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 0.00 0.00 0.00 114 E 8.76 4.41 0.00 2.02 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 2.25 2.39 0.00 *115 K 8.60 4.31 0.00 1.77 1.63 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.33 1.02 7.81 116 L 8.22 5.03 0.00 1.62 1.60 0.97 0.98 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 0.00 117 T 9.20 4.23 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 1.28 0.00 0.00 118 D 8.74 4.40 0.00 2.71 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 0.00 119 E 8.17 3.97 0.00 2.03 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 2.38 2.41 0.00 120 E 8.34 4.02 0.00 2.33 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 2.34 2.32 0.00 121 V 8.17 3.59 2.28 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 1.09 0.00 0.00 0.99 0.00 0.00 122 D 8.13 4.36 0.00 2.92 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 0.00 123 E 8.26 3.95 0.00 2.12 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 2.30 2.31 0.00 124 M 8.18 4.03 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 125 I 7.76 3.70 2.03 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 1.58 0.69 0.97 0.00 0.00 126 R 8.26 3.95 0.00 1.86 2.11 0.00 3.27 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 127 E 8.20 4.09 0.00 2.12 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 2.26 2.20 0.00 128 A 7.28 4.85 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 0.00 129 D 7.97 4.42 0.00 2.86 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 0.00 130 I 8.43 3.95 2.01 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 1.62 0.92 0.92 0.00 0.00 131 D 8.55 4.77 0.00 2.78 2.75 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 0.00 132 G 8.26 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.49 4.41 0.00 2.73 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 0.00 134 G 10.14 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 0.00 135 Q 8.80 4.77 0.00 1.88 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 136 V 8.59 4.80 2.21 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 1.30 0.00 0.00 0.98 0.00 0.00 137 N 9.35 5.58 0.00 2.71 3.18 0.00 0.00 6.43 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 0.00 138 Y 8.45 3.23 0.00 2.21 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 0.00 139 E 8.16 3.70 0.00 2.05 1.93 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 2.33 2.37 0.00 140 E 8.13 3.98 0.00 2.28 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 2.43 2.41 0.00 141 F 8.31 4.00 0.00 3.38 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 0.00 142 V 8.18 3.39 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 0.79 0.00 0.00 -0.09 0.00 0.00 143 Q 7.82 3.80 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 144 M 7.45 4.13 0.00 1.82 1.99 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 2.54 2.74 0.00 145 M 7.41 4.07 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 146 T 8.31 4.19 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 1.22 0.00 0.00 147 A 7.53 4.05 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 * Residues marked with a * may have inaccurate shift predictions.