NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 N 4.6596 8.4244 118.2034 52.7427 38.1586 175.8456 16 L 4.0465 8.7591 122.1584 52.8015 41.7927 174.4631 17 N 4.0078 8.5951 126.0064 53.2790 38.8079 174.5034 18 I 4.0308 8.3519 119.3645 61.6588 38.4462 177.0582 19 A 4.1870 7.9299 124.3344 54.1245 18.9922 176.8780 20 Y 4.3522 7.6004 116.8270 59.1798 39.0013 175.7968 21 A 3.3809 8.2879 128.2125 52.5700 16.9306 177.5307 22 K 4.2413 7.6097 116.5761 55.9283 32.9977 175.3273 23 P 4.5288 0.0000 0.0000 63.2955 32.2097 175.6053 24 T 5.0322 8.3396 112.7939 60.2658 72.2964 172.5475 25 T 4.8755 8.3838 111.9036 60.6663 73.3526 172.0344 26 Q 4.3754 7.9428 118.7623 54.8307 31.7282 175.4748 27 S 3.1415 7.3733 113.6757 60.6822 63.0369 173.9008 28 S 4.3983 6.7077 113.3705 57.8730 64.7281 174.4689 29 V 4.7030 8.2137 119.3789 61.0627 33.9267 173.8193 30 D 4.6996 8.4617 124.6758 53.4094 44.3069 174.2407 31 Y 3.7885 8.6891 117.8232 59.2395 35.4771 170.4163 32 N 4.2566 8.6064 112.1441 54.3465 37.0354 176.1683 33 G 4.1493 8.2875 108.5310 44.5169 0.0000 173.9818 34 D 4.7532 7.7473 120.7898 53.7826 42.3954 176.6820 35 P 4.8611 0.0000 0.0000 65.3327 31.2690 178.3277 36 N 4.5364 8.3517 116.3548 55.6379 36.8249 177.0205 37 R 4.0177 8.0318 119.6778 58.6779 30.4056 177.7642 38 A 4.2920 8.1308 118.9451 52.8129 18.4489 178.2863 39 V 4.7732 7.9468 111.5025 61.1145 32.7514 176.4826 40 D 4.7593 8.6502 117.5550 53.1318 39.6649 177.1859 41 G 3.8240 8.9808 108.4389 45.6436 0.0000 172.8783 42 N 4.7490 8.3008 118.5319 51.8476 39.9444 174.4326 43 R 3.9067 8.3071 123.8134 55.9019 30.6515 176.1925 44 N 4.1123 8.1235 117.7131 54.4659 39.1064 174.6020 45 G 3.9227 8.5637 112.3190 44.7917 0.0000 172.3646 46 N 4.8383 7.9315 120.1519 52.8986 39.4122 174.7549 47 F 3.8913 9.3778 129.3167 61.5694 39.4676 176.8971 48 N 4.5323 8.1621 115.4284 55.1656 38.4738 176.2216 49 S 4.0474 7.9236 113.0260 59.5667 63.1898 175.5945 50 G 3.6636 7.8720 108.5529 45.4348 0.0000 173.5207 51 S 4.6432 7.5499 112.0966 57.6508 62.5765 173.4295 52 V 4.6960 7.1001 118.7848 61.6348 33.6073 175.3907 53 T 4.6075 8.7415 118.2732 62.1074 71.1046 172.9518 54 H 5.0166 9.1614 119.6973 55.7875 33.7682 173.2777 55 T 5.1054 8.3104 116.5432 59.4538 71.0584 174.1039 56 R 4.2053 8.5065 120.9266 55.8270 31.9693 176.7314 57 A 4.5714 8.3771 121.5482 51.7606 17.1033 176.9637 58 D 4.6462 8.6953 122.8946 52.6509 43.9869 175.2124 59 N 5.0832 8.5641 115.0653 50.3752 37.7677 171.1128 60 P 5.0116 0.0000 0.0000 60.5577 34.5958 175.9225 61 S 4.4912 8.3269 114.3418 58.5937 64.0606 173.6537 62 W 5.6330 8.1859 118.7068 55.7535 31.8853 172.8978 63 W 5.7820 9.7830 129.6839 56.2786 34.2968 173.1077 64 E 5.0754 8.3873 125.4758 54.6202 33.2128 173.9384 65 V 4.4928 8.1583 125.1854 59.7912 34.5117 173.9951 66 D 4.8847 8.5657 123.4782 52.6259 41.8735 176.0664 67 L 4.0881 8.8562 126.6498 55.5777 41.4247 178.5098 68 K 4.1637 10.0412 118.8800 56.1528 31.2197 175.6798 69 K 4.5570 7.0977 115.6986 55.3167 36.3172 175.0766 70 M 4.4339 8.4751 120.4514 56.0174 32.5227 175.4831 71 D 4.8325 9.1973 122.3483 52.9349 46.1517 173.1589 72 K 4.9797 8.5442 117.8947 54.5952 34.8644 175.7896 73 V 4.2647 8.7401 125.1095 62.1445 33.6566 174.9436 74 G 4.0447 9.5905 117.1444 46.6809 0.0000 175.2509 75 L 4.8523 6.3474 126.3077 54.8576 43.9923 174.8412 76 V 5.0143 9.5442 126.2985 61.1308 34.4484 174.0315 77 K 5.0839 9.4237 127.6214 54.7063 35.0683 175.0183 78 I 4.8486 8.6120 126.2242 59.7894 39.8893 174.0736 79 Y 5.0204 9.0106 125.6466 56.2262 40.0596 175.3020 80 N 4.9317 8.9177 123.4333 52.3339 40.4416 174.5942 81 R 4.3354 8.5313 122.9975 57.0672 29.9864 176.1743 82 T 4.5815 8.9790 113.4416 61.7843 70.7880 175.9363 83 D 4.3995 8.2512 120.5523 55.7332 39.9759 175.7990 84 A 4.3348 7.9239 118.8637 52.1185 21.8908 174.5702 85 E 4.0704 8.8606 115.4618 56.4327 27.4040 177.6337 86 T 3.9522 7.8955 110.4900 64.4465 68.9593 176.0262 87 Q 4.1216 8.0374 119.5960 58.2153 28.9972 178.3822 88 R 3.8729 7.7369 117.8972 59.1917 30.1535 177.2520 89 L 4.1569 7.1260 120.2860 53.3836 40.2269 175.3735 90 S 4.8116 8.0473 115.7695 57.2110 66.6678 174.1891 91 N 4.2713 9.2270 118.5634 54.7176 37.3767 172.6383 92 F 5.6479 8.2575 113.8283 55.4932 42.5575 175.1473 93 D 5.5066 9.4140 119.6729 52.7131 44.1126 175.5257 94 V 5.0383 8.8537 121.3135 61.4154 34.2866 174.3280 95 I 4.8840 8.9724 128.6639 59.4161 40.8162 174.3549 96 L 4.9860 8.4481 126.3542 53.1900 43.9915 175.1288 97 Y 5.3635 8.8497 120.7769 56.3666 41.9902 176.0694 98 D 4.8103 8.7132 122.1597 52.4600 41.7827 176.2724 99 N 4.5058 8.7697 116.1859 56.2625 39.0443 175.7366 100 N 4.8618 8.4033 113.4639 52.4639 38.9291 174.3777 101 R 3.8594 7.9196 115.4024 57.1007 28.5578 176.2310 102 N 4.6093 8.4994 114.7142 52.6123 39.2865 174.6080 103 E 4.3259 8.9076 123.7428 56.5702 29.9549 176.4647 104 V 4.3703 8.1338 119.3406 61.8688 33.5533 175.7348 105 A 4.5737 7.5246 119.3754 51.3017 22.3293 175.0555 106 K 5.1197 8.6070 119.8062 55.2284 35.4930 175.3135 107 K 4.7383 9.4953 125.8108 54.8529 36.2175 174.4348 108 H 5.1752 8.7883 122.8723 54.3548 32.3204 173.3458 109 V 3.7409 7.6989 125.1258 61.1926 33.3682 175.0648 110 N 4.5388 8.7822 126.7896 54.9517 38.6711 174.2809 111 N 5.3051 7.6071 116.4986 51.3332 42.9762 174.4294 112 L 4.3573 8.4418 121.3066 54.5336 42.7005 177.3327 113 S 4.4502 8.7446 117.0420 59.7147 64.5834 174.5175 114 G 4.2477 7.6355 110.9173 45.2007 0.0000 173.2440 115 E 4.5304 8.7007 119.5639 57.2778 30.7713 176.0540 116 S 5.1117 7.6320 112.9885 57.0387 66.3744 173.6647 117 V 4.5236 8.5246 119.2606 60.0161 34.5386 174.4855 118 S 5.2543 8.6921 118.7805 56.8074 65.3123 173.3684 119 L 4.7301 9.2257 123.8765 52.8036 45.4269 175.1659 120 D 5.2158 8.3681 121.5704 52.7367 42.8257 175.3136 121 F 4.4717 9.5095 125.0386 56.8803 39.2811 176.5146 122 K 3.9263 9.0282 119.1238 57.7649 29.6423 175.4152 123 E 3.8754 8.5028 113.8243 57.1064 27.5107 174.8912 124 K 4.0677 7.8375 120.9029 56.4706 33.4138 176.0466 125 G 4.1645 8.7266 114.8395 46.2741 0.0000 172.4693 126 A 4.7058 8.9957 126.2522 51.1671 22.9226 176.2373 127 R 4.2892 8.9874 119.2609 56.2023 32.4402 175.7060 128 Y 5.3161 7.8694 115.2408 56.0290 42.0393 174.7619 129 I 4.9528 8.6523 123.5719 59.4100 40.4803 174.3059 130 K 5.2539 9.3255 128.7292 54.6073 35.2685 174.6643 131 V 4.9679 9.4328 127.6772 61.3119 33.5914 174.1072 132 K 5.0819 9.3224 130.0376 54.4316 34.7653 175.1621 133 L 4.6522 8.8567 128.3577 55.1542 41.7332 177.3012 134 L 4.4844 8.9071 122.4349 55.7572 42.8417 176.8913 135 T 4.3800 7.8711 116.0863 62.0540 69.3124 174.9497 136 S 4.3283 8.4993 122.8389 59.5225 63.6422 174.6959 137 G 3.8789 9.0449 109.9084 46.0637 0.0000 173.3561 138 V 4.4294 7.5219 118.4724 59.8210 33.6362 173.6772 139 P 4.6589 0.0000 0.0000 62.1850 32.4622 175.3253 140 L 4.5754 8.7081 125.3419 53.6348 43.8345 175.2242 141 S 5.3428 8.4424 121.6107 55.6023 66.1576 173.4251 142 L 4.6187 8.6957 123.7465 52.7185 44.3147 177.5636 143 A 3.9680 8.9923 126.4141 54.7223 19.0501 177.3611 144 E 4.7656 7.3263 112.4446 55.6761 33.0095 175.5523 145 V 4.8619 9.0352 125.6477 61.3696 33.9738 174.3170 146 E 4.8997 9.5189 128.2387 54.6053 32.3272 175.3321 147 V 4.8146 8.4467 122.9974 61.1451 34.7890 174.2883 148 F 5.4441 9.1924 125.7675 55.8055 42.3562 176.5692 149 R 5.0143 9.2138 118.5974 57.2803 30.6005 175.7542 150 E 4.5790 7.8352 117.2540 55.5351 32.9039 176.0855 *151 S 4.2554 8.4891 113.9872 58.4649 63.0531 170.4496 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 15 N 8.42 4.66 0.00 2.94 2.52 0.00 0.00 5.99 6.90 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 16 L 8.76 4.05 0.00 1.76 1.72 0.97 0.64 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 17 N 8.60 4.01 0.00 2.64 2.68 0.00 0.00 6.93 7.82 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 18 I 8.35 4.03 1.86 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 1.37 0.68 0.97 0.00 0.00 19 A 7.93 4.19 1.45 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 0.00 0.00 20 Y 7.60 4.35 0.00 2.93 3.05 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 21 A 8.29 3.38 0.58 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 0.00 0.00 22 K 7.61 4.24 0.00 1.88 1.90 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.65 1.63 7.81 23 P 0.00 4.53 0.00 2.05 1.95 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 24 T 8.34 5.03 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 25 T 8.38 4.88 4.35 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 1.22 0.00 0.00 26 Q 7.94 4.38 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 27 S 7.37 3.14 0.00 3.68 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 28 S 6.71 4.40 0.00 3.89 3.88 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 29 V 8.21 4.70 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 0.90 0.00 0.00 0.92 0.00 0.00 30 D 8.46 4.70 0.00 2.68 2.37 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 31 Y 8.69 3.79 0.00 3.05 3.10 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 32 N 8.61 4.26 0.00 2.95 2.93 0.00 0.00 7.11 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 33 G 8.29 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.75 4.75 0.00 2.86 2.64 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 35 P 0.00 4.86 0.00 2.34 2.57 0.00 3.91 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 2.11 1.88 0.00 36 N 8.35 4.54 0.00 3.04 3.16 0.00 0.00 6.30 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 37 R 8.03 4.02 0.00 1.94 2.06 0.00 3.22 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 38 A 8.13 4.29 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.95 4.77 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 1.13 0.00 0.00 1.10 0.00 0.00 40 D 8.65 4.76 0.00 2.83 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 41 G 8.98 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 0.00 0.00 0.00 42 N 8.30 4.75 0.00 2.65 2.81 0.00 0.00 7.12 7.27 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 43 R 8.31 3.91 0.00 1.61 1.42 0.00 3.14 0.00 0.00 2.88 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.25 0.00 44 N 8.12 4.11 0.00 2.82 2.71 0.00 0.00 7.02 7.63 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 45 G 8.56 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 0.00 0.00 0.00 46 N 7.93 4.84 0.00 2.77 2.71 0.00 0.00 6.78 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 9.38 3.89 0.00 3.09 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.16 4.53 0.00 2.75 2.87 0.00 0.00 6.91 7.57 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 49 S 7.92 4.05 0.00 3.94 3.99 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 0.00 0.00 0.00 50 G 7.87 3.66 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 0.00 0.00 0.00 51 S 7.55 4.64 0.00 3.80 3.99 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 0.00 0.00 0.00 52 V 7.10 4.70 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 1.09 0.00 0.00 1.02 0.00 0.00 53 T 8.74 4.61 4.53 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 1.32 0.00 0.00 54 H 9.16 5.02 0.00 3.46 3.48 0.00 5.57 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 55 T 8.31 5.11 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 1.23 0.00 0.00 56 R 8.51 4.21 0.00 1.93 1.91 0.00 3.06 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 57 A 8.38 4.57 1.24 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 0.00 0.00 0.00 58 D 8.70 4.65 0.00 2.70 2.64 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 59 N 8.56 5.08 0.00 2.71 2.72 0.00 0.00 7.27 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 60 P 0.00 5.01 0.00 2.46 2.14 0.00 4.02 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 61 S 8.33 4.49 0.00 3.89 3.80 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 62 W 8.19 5.63 0.00 3.62 3.22 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 63 W 9.78 5.78 0.00 3.42 3.10 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 64 E 8.39 5.08 0.00 2.08 1.67 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 2.19 2.33 0.00 65 V 8.16 4.49 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 0.82 0.00 0.00 0.99 0.00 0.00 66 D 8.57 4.88 0.00 2.80 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 67 L 8.86 4.09 0.00 1.58 1.62 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 K 10.04 4.16 0.00 1.83 2.02 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.29 7.81 69 K 7.10 4.56 0.00 1.73 1.82 0.00 1.48 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.42 7.81 70 M 8.48 4.43 0.00 1.90 2.03 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 2.59 2.45 0.00 71 D 9.20 4.83 0.00 2.59 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 72 K 8.54 4.98 0.00 1.73 1.71 0.00 1.95 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.37 7.81 73 V 8.74 4.26 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 0.97 0.00 0.00 0.89 0.00 0.00 74 G 9.59 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 75 L 6.35 4.85 0.00 2.13 1.84 0.98 0.88 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 76 V 9.54 5.01 2.42 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 1.08 0.00 0.00 1.19 0.00 0.00 77 K 9.42 5.08 0.00 2.00 1.55 0.00 1.97 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.75 7.81 78 I 8.61 4.85 1.94 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.10 0.83 0.00 0.00 79 Y 9.01 5.02 0.00 2.99 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 80 N 8.92 4.93 0.00 2.71 2.71 0.00 0.00 7.18 8.51 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 81 R 8.53 4.34 0.00 1.86 1.80 0.00 3.22 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 82 T 8.98 4.58 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 1.33 0.00 0.00 83 D 8.25 4.40 0.00 2.80 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 84 A 7.92 4.33 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 85 E 8.86 4.07 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 2.24 2.09 0.00 86 T 7.90 3.95 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 1.28 0.00 0.00 87 Q 8.04 4.12 0.00 2.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 88 R 7.74 3.87 0.00 1.81 2.12 0.00 3.07 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 89 L 7.13 4.16 0.00 1.60 1.57 -0.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.05 4.81 0.00 4.19 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 91 N 9.23 4.27 0.00 2.97 2.91 0.00 0.00 7.05 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.26 5.65 0.00 3.26 3.03 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 93 D 9.41 5.51 0.00 2.75 2.68 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 0.00 0.00 0.00 0.00 94 V 8.85 5.04 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 1.32 0.00 0.00 1.28 0.00 0.00 95 I 8.97 4.88 1.72 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.74 0.22 0.00 0.00 96 L 8.45 4.99 0.00 1.33 1.37 -0.20 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.85 5.36 0.00 3.01 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 98 D 8.71 4.81 0.00 2.95 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 99 N 8.77 4.51 0.00 2.69 2.91 0.00 0.00 6.73 7.79 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 0.00 100 N 8.40 4.86 0.00 2.76 2.80 0.00 0.00 7.02 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 0.00 101 R 7.92 3.86 0.00 1.78 1.62 0.00 2.79 0.00 0.00 2.61 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.31 0.00 102 N 8.50 4.61 0.00 3.08 2.78 0.00 0.00 6.70 7.29 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 0.00 103 E 8.91 4.33 0.00 1.98 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 0.00 2.18 2.00 0.00 104 V 8.13 4.37 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.97 0.00 0.00 105 A 7.52 4.57 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 0.00 106 K 8.61 5.12 0.00 1.83 1.65 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.52 7.81 107 K 9.50 4.74 0.00 1.70 1.52 0.00 0.72 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.16 1.15 7.81 108 H 8.79 5.18 0.00 3.13 3.12 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.70 3.74 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.48 0.00 0.00 110 N 8.78 4.54 0.00 2.64 2.74 0.00 0.00 6.88 6.92 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 0.00 111 N 7.61 5.31 0.00 2.64 2.67 0.00 0.00 6.92 7.85 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 0.00 112 L 8.44 4.36 0.00 1.66 1.79 1.21 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.74 4.45 0.00 3.96 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 0.00 114 G 7.64 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 0.00 0.00 0.00 0.00 115 E 8.70 4.53 0.00 1.97 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 2.38 2.32 0.00 116 S 7.63 5.11 0.00 3.29 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.52 4.52 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 0.87 0.00 0.00 0.91 0.00 0.00 118 S 8.69 5.25 0.00 3.71 3.80 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 L 9.23 4.73 0.00 1.57 1.19 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.37 5.22 0.00 2.61 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 9.51 4.47 0.00 3.26 3.06 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 0.00 122 K 9.03 3.93 0.00 1.96 1.93 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.53 7.81 123 E 8.50 3.88 0.00 2.18 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 0.00 2.51 2.28 0.00 124 K 7.84 4.07 0.00 2.08 1.74 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.45 7.81 125 G 8.73 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 0.00 126 A 9.00 4.71 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 0.00 127 R 8.99 4.29 0.00 1.62 1.48 0.00 2.85 0.00 0.00 2.95 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.89 0.00 128 Y 7.87 5.32 0.00 3.11 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.65 4.95 2.00 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 1.00 0.96 1.03 0.00 0.00 130 K 9.33 5.25 0.00 2.11 1.84 0.00 1.40 0.00 0.00 1.64 0.00 0.00 2.65 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.50 1.69 7.81 131 V 9.43 4.97 2.40 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 0.94 0.00 0.00 1.19 0.00 0.00 132 K 9.32 5.08 0.00 2.01 1.79 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.58 7.81 133 L 8.86 4.65 0.00 1.69 1.68 0.95 0.80 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 0.00 134 L 8.91 4.48 0.00 1.73 1.78 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.87 4.38 4.30 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 1.25 0.00 0.00 136 S 8.50 4.33 0.00 3.92 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 0.00 137 G 9.04 3.88 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 0.00 0.00 0.00 138 V 7.52 4.43 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 0.86 0.00 0.00 1.00 0.00 0.00 139 P 0.00 4.66 0.00 1.94 2.28 0.00 3.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 140 L 8.71 4.58 0.00 1.76 1.52 0.79 0.82 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 0.00 141 S 8.44 5.34 0.00 3.63 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.70 4.62 0.00 1.11 1.14 0.20 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.99 3.97 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 0.00 144 E 7.33 4.77 0.00 1.84 1.42 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 1.90 2.16 0.00 145 V 9.04 4.86 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 1.03 0.00 0.00 0.27 0.00 0.00 146 E 9.52 4.90 0.00 2.24 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 2.27 2.36 0.00 147 V 8.45 4.81 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 1.08 0.00 0.00 1.01 0.00 0.00 148 F 9.19 5.44 0.00 3.14 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 R 9.21 5.01 0.00 1.88 2.04 0.00 3.27 0.00 0.00 3.97 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 150 E 7.84 4.58 0.00 2.16 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 2.29 2.54 0.00 *151 S 8.49 4.26 0.00 3.62 3.72 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 * Residues marked with a * may have inaccurate shift predictions.