NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 4.1038 8.3049 120.3189 55.5023 33.2149 175.8741 6 C 4.3297 8.1075 119.6624 54.8894 40.9223 171.9622 7 Y 4.2753 8.7407 125.0751 56.2065 38.8868 173.6077 8 P 3.2105 0.0000 0.0000 64.2136 31.7866 176.3912 9 G 4.0384 8.6416 111.7687 45.0422 0.0000 173.9614 10 Q 4.2952 7.4983 113.8850 57.5979 30.5099 176.7064 11 A 4.2058 7.9975 121.0355 54.0545 18.8575 177.4576 12 F 5.0740 6.9552 109.0135 54.7522 41.2869 173.8521 13 Q 4.3936 8.8495 120.4807 56.5854 28.9335 175.6210 14 V 4.8841 7.9978 119.2606 59.9546 34.5016 173.4498 15 P 4.3789 0.0000 0.0000 62.6337 31.6751 175.9872 16 A 4.7209 8.5115 123.8449 53.0903 19.7307 177.4474 17 L 3.8460 8.6815 120.2297 54.8899 39.4026 173.7497 18 P 4.2577 0.0000 0.0000 65.7205 31.3349 178.2285 19 A 4.2140 8.6772 118.9245 54.3104 18.3241 178.2830 20 C 4.4799 8.0916 114.4522 58.5458 34.8454 176.1902 21 R 3.8579 7.6015 119.3258 58.5470 29.7286 177.0945 22 P 4.2972 0.0000 0.0000 65.3982 31.3432 178.2958 23 L 3.8852 7.3546 117.0222 58.0588 42.1051 178.6362 24 L 3.9300 8.0634 120.2881 58.3952 41.7293 179.2218 25 R 4.1309 7.7416 116.7318 58.9681 30.3175 178.8486 26 L 4.1485 7.8836 118.6563 58.0061 41.7401 179.4935 27 Q 4.0536 8.4399 118.6380 58.8818 28.4368 176.0167 28 C 4.5817 8.2041 113.6336 56.6993 41.8766 173.7564 29 N 4.8799 7.6615 118.0991 52.4682 37.3744 174.6638 30 G 3.8611 8.3217 104.6801 47.0856 0.0000 174.8088 31 S 4.3194 7.5759 114.9047 57.7489 63.4205 173.7809 32 Q 4.1145 8.3736 123.0870 55.8703 29.3766 175.3565 33 V 4.3057 8.0938 118.3988 58.8129 33.2188 174.5629 34 P 4.3406 0.0000 0.0000 62.9281 33.1166 177.2782 35 E 3.9761 8.8057 120.2037 59.4852 29.5628 179.6340 36 A 4.0835 7.9332 120.4901 55.1244 18.4057 179.8545 37 V 3.6787 7.6967 110.4956 63.9482 31.7918 178.3495 38 L 3.8998 7.6782 120.2601 58.1761 41.9040 178.9359 39 R 3.8746 8.3632 118.9955 59.7404 30.0082 178.2465 40 D 4.3274 8.0558 118.2700 57.2044 40.7400 177.9755 41 C 4.2356 8.0190 118.8748 59.9665 43.2396 175.0609 42 C 4.1931 8.3361 118.1974 59.9294 39.0587 175.8325 43 Q 3.8299 8.3154 121.4289 59.2790 28.3825 178.4794 44 Q 3.9224 7.7686 118.0727 58.8319 29.0402 178.2885 45 L 4.1046 8.1229 119.9115 57.7691 41.4448 179.3700 46 A 4.0674 8.1043 119.9441 55.3802 18.2625 179.0347 47 H 4.3552 7.6005 112.9830 58.3199 29.2315 176.5778 48 I 4.1353 7.1369 120.2336 60.6054 37.8444 176.2204 49 S 4.4845 8.4899 117.8160 57.9378 63.9580 175.0039 50 E 3.9100 8.8535 120.9559 59.5134 28.7902 179.6943 51 W 4.2279 8.0612 117.5805 58.5784 29.3982 176.7693 52 C 5.0824 8.4491 114.4205 56.4567 36.6227 175.9466 53 R 3.7983 7.9059 121.1766 59.5089 29.7357 179.3669 54 C 4.4684 8.2014 116.0443 59.6421 39.3468 176.0925 55 G 3.5945 8.1033 106.8491 47.7308 0.0000 175.4084 56 A 2.5800 7.7325 123.2489 54.3846 18.2546 179.7897 57 L 3.8711 7.7086 117.4579 57.8238 41.5726 179.0603 58 Y 3.7650 8.0820 119.5333 60.6911 38.7018 178.0260 59 S 4.2472 8.1947 114.0567 61.6137 62.4258 175.7356 60 M 3.9687 8.0255 120.7198 58.6054 32.0360 177.8605 61 L 3.7192 7.8184 120.3994 58.0837 42.1364 178.3599 62 D 4.6070 7.9557 119.3548 56.9765 41.2066 178.3301 63 S 4.1707 8.3609 115.8218 62.0128 62.8841 176.6558 64 M 3.9605 8.2141 121.3755 58.6934 31.4511 178.5330 65 Y 4.5049 7.8611 115.8205 60.8060 38.1670 177.8990 66 K 4.2948 8.3367 117.8049 57.7405 32.4345 178.2500 67 E 4.0012 7.9809 119.5455 57.7551 30.2266 175.8819 68 H 3.3710 7.6139 109.1702 56.3815 29.3534 173.4186 *78 G 3.7391 7.9376 108.1104 45.1040 0.0000 173.9084 79 A 3.8097 8.5262 122.5256 53.8396 18.5609 177.8780 80 F 4.5429 7.2811 111.7258 54.6467 39.8478 171.4085 81 P 4.3604 0.0000 0.0000 63.4390 31.6253 177.1047 82 R 4.0558 8.9417 120.7820 56.6461 27.3202 176.3083 83 C 5.0575 7.7472 114.9491 55.0198 43.0327 174.4982 84 R 4.3689 8.3434 122.4137 55.2780 31.8502 177.4156 85 R 3.9604 8.7170 123.7718 59.9819 30.1770 178.3885 86 E 3.9759 8.1465 117.3426 59.6818 29.5112 179.6937 87 V 3.7177 7.7046 111.5908 63.6942 31.6824 178.6839 88 V 3.3009 7.9279 118.9857 65.8040 31.4637 178.1588 89 K 3.9421 7.8390 117.7429 59.2949 32.3848 178.8813 90 L 3.9313 7.5562 120.8837 58.3496 42.4228 178.7850 91 T 3.9561 8.2088 115.8409 66.5996 68.0190 176.6674 92 A 3.9322 8.0422 122.4791 54.9742 18.3793 179.4050 93 A 4.1344 8.0814 118.8390 53.9391 18.3568 178.8324 94 S 4.7690 7.6448 110.5066 57.7910 63.8122 176.2064 95 I 3.7208 7.5514 124.2959 64.9502 36.5252 178.0508 96 T 3.9707 7.8729 113.3845 64.5639 67.2383 176.3290 97 A 4.0182 7.8261 122.5935 55.2296 18.3910 179.8971 98 V 3.5835 7.6981 109.5943 64.2841 31.6653 177.4010 99 C 4.4564 8.2597 114.1810 56.5349 40.7224 173.3960 100 R 3.5671 7.7644 118.8649 57.3376 27.8132 176.5441 101 L 4.8337 8.1925 117.9728 52.2662 43.0331 175.9953 102 P 4.2582 0.0000 0.0000 62.4957 32.3624 175.5207 103 I 4.6826 8.4413 114.0736 59.2383 41.4177 174.2328 104 V 4.3065 7.6936 116.6116 59.7612 32.0824 176.5894 105 V 3.7213 9.0855 127.7121 66.0387 31.9854 175.3237 106 D 4.4811 7.3866 118.2523 53.2611 41.7764 175.8190 107 A 4.4088 9.0175 120.2749 55.5450 18.6802 179.1754 108 S 4.1471 7.8228 110.4021 59.8883 62.8840 175.8686 109 G 3.7880 8.4603 108.0397 44.5393 0.0000 172.9323 110 D 4.2955 7.8843 120.5047 54.8087 41.5757 176.5830 111 G 4.0944 8.4381 110.2323 45.5928 0.0000 171.9041 112 A 4.4771 8.0281 120.7369 51.6100 23.2258 176.5744 113 Y 4.6752 8.5968 113.3373 57.5265 39.1385 176.1932 114 V 4.5485 7.4893 118.4313 59.4925 34.4838 176.0837 115 C 4.7006 9.2339 122.0443 55.2711 35.5506 174.8413 116 K 3.9434 8.3999 127.2945 59.6999 32.1667 178.6659 117 D 4.4258 8.0796 119.3471 56.4092 39.6914 178.3443 118 V 3.9299 7.9329 119.0053 65.6685 31.4665 177.6861 119 A 4.2500 8.1292 119.4219 54.3275 18.4778 178.3992 120 A 4.5524 7.6889 117.6240 50.8884 19.5413 175.8348 121 Y 4.2652 7.3516 120.2359 58.6430 39.1135 175.0659 122 P 3.4611 0.0000 0.0000 62.2494 30.9390 175.8613 123 D 4.4103 7.1464 118.5360 56.4969 41.5412 176.5041 124 A 4.1759 7.8009 128.3510 52.6821 18.4975 177.3578 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 5 M 8.30 4.10 0.00 1.07 1.80 0.00 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 6 C 8.11 4.33 0.00 3.17 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 7 Y 8.74 4.28 0.00 3.00 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 8 P 0.00 3.21 0.00 2.03 2.06 0.00 3.72 0.00 0.00 3.90 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 9 G 8.64 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 10 Q 7.50 4.30 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.20 2.52 0.00 11 A 8.00 4.21 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 6.96 5.07 0.00 3.19 3.14 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 13 Q 8.85 4.39 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.88 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 14 V 8.00 4.88 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 0.96 0.00 0.00 1.13 0.00 0.00 15 P 0.00 4.38 0.00 2.25 2.08 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 16 A 8.51 4.72 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 17 L 8.68 3.85 0.00 1.79 1.64 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.26 0.00 2.16 2.12 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 19 A 8.68 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 20 C 8.09 4.48 0.00 3.11 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 21 R 7.60 3.86 0.00 2.01 1.95 0.00 3.40 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 22 P 0.00 4.30 0.00 2.25 2.29 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.01 0.00 23 L 7.35 3.89 0.00 1.82 1.88 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.06 3.93 0.00 1.76 1.69 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.74 4.13 0.00 1.96 2.00 0.00 3.15 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 26 L 7.88 4.15 0.00 1.89 1.70 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.44 4.05 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 28 C 8.20 4.58 0.00 3.06 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 29 N 7.66 4.88 0.00 2.81 3.04 0.00 0.00 6.08 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 30 G 8.32 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 31 S 7.58 4.32 0.00 4.03 3.82 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 32 Q 8.37 4.11 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 33 V 8.09 4.31 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 0.83 0.00 0.00 0.92 0.00 0.00 34 P 0.00 4.34 0.00 2.14 1.98 0.00 3.59 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 35 E 8.81 3.98 0.00 1.97 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 2.32 0.00 36 A 7.93 4.08 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 37 V 7.70 3.68 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 1.07 0.00 0.00 0.92 0.00 0.00 38 L 7.68 3.90 0.00 1.69 1.80 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.36 3.87 0.00 1.92 2.11 0.00 3.30 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 40 D 8.06 4.33 0.00 2.84 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 41 C 8.02 4.24 0.00 3.14 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 42 C 8.34 4.19 0.00 3.12 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 43 Q 8.32 3.83 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 44 Q 7.77 3.92 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 45 L 8.12 4.10 0.00 1.82 1.71 0.91 0.75 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 46 A 8.10 4.07 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 47 H 7.60 4.36 0.00 3.39 3.40 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.14 4.14 2.04 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 1.52 0.57 1.06 0.00 0.00 49 S 8.49 4.48 0.00 4.18 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 50 E 8.85 3.91 0.00 1.83 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 0.00 2.52 2.35 0.00 51 W 8.06 4.23 0.00 3.27 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 52 C 8.45 5.08 0.00 3.08 3.32 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 0.00 53 R 7.91 3.80 0.00 1.88 1.95 0.00 3.53 0.00 0.00 3.51 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 54 C 8.20 4.47 0.00 2.97 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 55 G 8.10 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.73 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.71 3.87 0.00 1.85 1.68 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.08 3.77 0.00 3.25 3.13 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 59 S 8.19 4.25 0.00 4.20 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 60 M 8.03 3.97 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 61 L 7.82 3.72 0.00 1.59 1.32 0.41 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.96 4.61 0.00 3.08 2.93 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 63 S 8.36 4.17 0.00 4.06 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 64 M 8.21 3.96 0.00 1.76 2.22 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.49 0.00 65 Y 7.86 4.50 0.00 3.31 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 66 K 8.34 4.29 0.00 2.04 1.91 0.00 2.00 0.00 0.00 1.75 0.00 0.00 3.28 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.57 7.81 67 E 7.98 4.00 0.00 1.93 1.97 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 2.23 2.29 0.00 68 H 7.61 3.37 0.00 3.40 3.66 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *78 G 7.94 3.74 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 0.00 0.00 0.00 79 A 8.53 3.81 0.75 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 80 F 7.28 4.54 0.00 3.04 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 81 P 0.00 4.36 0.00 2.04 1.99 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 82 R 8.94 4.06 0.00 2.13 2.12 0.00 3.17 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 83 C 7.75 5.06 0.00 3.12 2.97 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 84 R 8.34 4.37 0.00 1.85 2.19 0.00 3.17 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 85 R 8.72 3.96 0.00 1.88 2.00 0.00 3.35 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 86 E 8.15 3.98 0.00 2.09 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 2.40 2.47 0.00 87 V 7.70 3.72 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 0.81 0.00 0.00 0.99 0.00 0.00 88 V 7.93 3.30 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 -0.04 0.00 0.00 0.60 0.00 0.00 89 K 7.84 3.94 0.00 2.22 2.06 0.00 1.47 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.55 1.53 7.81 90 L 7.56 3.93 0.00 1.89 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.21 3.96 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 1.15 0.00 0.00 92 A 8.04 3.93 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.08 4.13 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 94 S 7.64 4.77 0.00 4.00 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 95 I 7.55 3.72 1.84 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 1.37 0.80 0.89 0.00 0.00 96 T 7.87 3.97 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 1.29 0.00 0.00 97 A 7.83 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 98 V 7.70 3.58 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 0.84 0.00 0.00 0.98 0.00 0.00 99 C 8.26 4.46 0.00 3.10 3.14 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 0.00 100 R 7.76 3.57 0.00 1.95 1.91 0.00 3.17 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 101 L 8.19 4.83 0.00 1.69 1.63 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.26 0.00 1.73 1.28 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.79 0.00 103 I 8.44 4.68 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.76 0.85 0.00 0.00 104 V 7.69 4.31 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 -0.51 0.00 0.00 -0.05 0.00 0.00 105 V 9.09 3.72 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 0.72 0.00 0.00 0.91 0.00 0.00 106 D 7.39 4.48 0.00 2.93 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 0.00 107 A 9.02 4.41 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 0.00 108 S 7.82 4.15 0.00 3.98 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 0.00 109 G 8.46 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 7.88 4.30 0.00 2.60 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 0.00 111 G 8.44 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 0.00 0.00 0.00 112 A 8.03 4.48 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 0.00 113 Y 8.60 4.68 0.00 2.92 2.85 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 0.00 114 V 7.49 4.55 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 0.74 0.00 0.00 0.96 0.00 0.00 115 C 9.23 4.70 0.00 3.03 3.27 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 0.00 116 K 8.40 3.94 0.00 2.00 2.08 0.00 1.52 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.51 7.81 117 D 8.08 4.43 0.00 2.78 2.86 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 0.00 118 V 7.93 3.93 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 1.00 0.00 0.00 1.08 0.00 0.00 119 A 8.13 4.25 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 0.00 120 A 7.69 4.55 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 0.00 121 Y 7.35 4.27 0.00 2.97 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 0.00 122 P 0.00 3.46 0.00 1.75 0.90 0.00 3.38 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 123 D 7.15 4.41 0.00 2.86 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 0.00 124 A 7.80 4.18 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.