NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.3855 8.3049 120.3452 55.3022 34.4582 175.5532 3 L 4.2319 7.3616 119.6350 52.3756 42.9796 176.0362 4 T 4.2196 9.4940 114.3421 61.0714 72.0104 175.3450 5 A 3.9679 8.4438 123.0866 55.3345 18.3396 179.7501 6 E 3.9838 8.0877 115.6337 59.3299 29.7764 179.1878 7 E 3.8756 7.8824 119.3093 59.2232 29.6251 179.1815 8 K 3.8097 8.1471 118.3662 59.4568 32.0963 179.1994 9 A 3.9556 7.8623 120.0654 55.2225 18.4180 179.5983 10 A 4.0044 8.0985 119.3288 55.2538 18.5418 180.1082 11 V 3.5591 8.1699 117.2637 66.3389 31.4222 178.5175 12 T 4.0061 8.5801 115.6929 66.5056 68.0864 176.5275 13 A 4.1045 7.8671 121.5810 55.2577 18.7302 179.1567 14 F 4.2598 8.3256 118.6744 61.2754 39.6054 177.1399 15 W 4.2474 8.7470 127.7641 60.2769 30.2511 177.9608 16 G 3.7263 7.8728 104.7656 46.7753 0.0000 174.8623 17 K 4.3236 7.4757 118.8823 55.8703 32.5764 176.9007 18 V 3.4923 6.3763 120.1187 62.1729 31.5796 176.6325 19 K 4.1364 8.3664 127.8692 55.4156 31.5802 177.7080 20 V 3.5336 8.0367 126.1512 64.5220 31.5133 177.7580 21 D 4.3171 8.0084 119.2903 56.4671 39.2336 178.4309 22 E 3.9503 7.9454 119.6225 58.7613 29.6844 179.2041 23 V 3.6802 7.9212 118.4696 65.5634 31.6714 178.3693 24 G 3.7193 8.4289 106.0263 47.7535 0.0000 175.8439 25 G 3.6265 7.8907 108.3367 47.4924 0.0000 175.3743 26 E 3.9313 8.1160 121.6701 58.6404 29.5133 178.8467 27 A 3.9391 8.1144 120.8831 55.0019 18.5470 179.2986 28 L 3.9542 7.8672 118.8622 58.2067 42.1461 179.2049 29 G 3.6645 7.8668 105.2562 48.1263 0.0000 175.7924 30 R 3.8684 8.0571 120.8907 58.4705 30.0143 178.6284 31 L 4.0412 8.1694 120.5388 58.6164 42.1031 179.3238 32 L 4.0655 7.8672 119.8082 56.8829 41.2467 179.7766 33 V 3.5105 7.5624 117.7658 65.8893 31.6368 178.0395 34 V 3.5530 7.9341 116.9558 64.3781 32.7860 175.7722 35 Y 3.9722 7.1774 117.3390 54.8676 37.3568 174.3690 36 P 4.9579 0.0000 0.0000 64.0806 31.8783 177.7378 37 W 4.3935 8.1111 115.7031 59.3967 27.6741 178.0862 38 T 4.4466 7.6160 110.5783 64.4147 68.0756 176.3778 39 Q 4.2233 8.0540 121.1559 58.9878 28.4262 178.3627 40 R 3.8257 7.7829 118.9862 59.5738 30.0202 178.1248 41 F 4.1634 7.9318 115.8774 58.6009 39.5258 175.5088 42 F 4.4839 8.1947 119.0222 56.2909 39.8575 177.2373 43 E 4.0268 8.3378 120.9774 59.4649 29.5861 178.8537 44 S 4.3837 7.9905 111.7985 59.7947 63.5370 175.0217 45 F 4.4965 8.2352 119.7760 58.6640 39.7067 175.4203 46 G 4.0271 7.3479 104.7973 44.0947 0.0000 174.7805 47 D 4.5536 8.7697 126.2220 54.1912 41.0790 175.9350 48 L 4.9226 8.2958 128.3766 54.5356 42.9545 178.3031 49 S 4.3076 8.1983 116.5567 60.3401 63.7008 174.4608 50 T 4.6753 7.4900 109.5930 58.6986 72.8299 174.5062 51 A 3.9530 8.4176 122.6929 55.6506 18.3257 179.6476 52 D 4.2724 8.0922 116.4526 57.4977 41.0696 178.8074 53 A 3.9959 7.9224 120.9122 54.9705 18.1378 179.8590 54 V 3.5308 7.4682 115.5342 66.5649 31.7590 177.9124 55 M 4.1979 7.7338 116.8757 58.1780 31.9313 177.7579 56 N 4.7149 7.9047 113.5224 52.3753 39.4953 174.9530 57 N 4.3876 7.5490 121.0995 52.9846 39.6051 173.7910 58 P 4.2574 0.0000 0.0000 65.6063 31.3802 178.8892 59 K 3.6659 7.9133 116.9731 58.8924 31.8431 179.2811 60 V 3.7105 8.3254 118.9279 66.0595 31.4910 178.1339 61 K 3.8842 7.9287 117.5686 59.4378 31.8197 179.1062 62 A 3.9548 8.0915 120.9688 55.6073 18.3330 179.2467 63 H 4.3439 8.6374 117.1304 59.2253 29.9683 177.4937 64 G 3.7348 8.6214 108.1575 47.8637 0.0000 175.4377 65 K 4.0102 8.0803 121.8700 59.2582 32.2323 179.0666 66 K 4.0721 7.8564 118.9712 59.2439 31.8424 179.5242 67 V 3.6901 7.8759 118.6469 66.2147 31.5242 178.1987 68 L 4.4913 8.0500 118.1061 57.6807 41.4607 179.0854 69 D 4.5055 8.4011 119.3011 57.5417 40.7555 178.7605 70 S 4.1571 8.2029 113.5486 61.1289 62.2850 176.2386 71 F 4.1139 8.8089 121.0694 60.7814 38.5231 177.5741 72 S 4.2956 8.8581 113.7674 61.8465 63.1011 176.0944 73 N 4.5576 8.5391 119.6927 56.7604 38.7131 177.2386 74 G 3.7231 8.1102 107.0357 47.9943 0.0000 175.5221 75 M 4.0345 8.1064 120.2080 57.4017 31.9418 177.9031 76 K 4.3206 7.5559 116.0951 56.6055 33.8493 176.0359 77 H 4.9790 7.9521 116.6759 54.6979 29.4506 175.0323 78 L 4.0482 7.9346 119.5060 57.4628 42.0460 178.6026 79 D 4.6464 7.9541 115.8682 54.6677 42.1982 175.5400 80 D 4.9626 7.7765 118.6243 52.7839 41.5548 176.6242 81 L 4.1867 7.8500 122.7519 57.9717 42.0255 179.2205 82 K 4.0383 8.1501 117.2038 59.4683 32.1255 179.1414 83 G 3.6692 7.9575 105.3106 48.0821 0.0000 175.9652 84 T 3.6740 7.6844 117.2313 65.5412 68.5813 175.7255 85 F 4.6275 7.9134 117.0423 57.0399 39.2327 177.4160 86 A 3.9851 7.6691 123.3580 55.3128 18.1778 180.2968 87 A 3.9422 7.8883 118.6095 55.4347 18.4841 179.7508 88 L 4.0491 7.8982 117.0407 57.6802 41.8533 179.3730 89 S 4.2066 8.5158 113.7143 61.6174 62.3944 175.8849 90 E 3.9633 8.0381 121.3794 59.0836 29.2890 178.5895 91 L 3.9253 7.9167 120.3130 58.6788 42.2452 178.8300 92 H 4.3247 8.7046 116.0007 58.3576 28.4260 176.7428 93 C 4.3650 8.0681 120.5379 61.7894 31.5482 175.0063 94 D 4.3459 8.2756 119.8377 56.0458 41.2775 177.1608 95 K 4.3547 7.8998 117.1372 56.7184 33.5335 176.9902 96 L 4.5262 7.7958 115.8634 53.9667 43.3708 175.7143 97 H 4.2930 7.6115 114.8008 56.5460 26.8475 175.1579 98 V 3.6658 8.0827 118.7534 61.9723 32.1554 174.9692 99 D 4.2995 8.6520 127.4737 53.3036 41.6475 175.0473 100 P 3.0012 0.0000 0.0000 65.0349 30.7585 178.2998 101 E 3.9076 7.8719 118.3499 59.1932 29.2685 178.7119 102 N 4.3535 8.0342 116.7722 55.8436 38.5148 177.3381 103 F 4.5170 7.2617 119.6590 60.5615 38.8781 177.7678 104 K 4.0632 8.0389 117.6479 59.4327 31.8572 179.2602 105 L 3.8469 7.5799 119.0088 57.6504 41.4104 179.3663 106 L 4.1251 8.2272 120.5040 57.8689 42.0430 179.0696 107 G 3.8039 8.2635 105.8636 48.1738 0.0000 175.4430 108 N 4.4626 8.4807 119.3977 55.7199 38.4658 177.6015 109 V 3.6389 8.1414 120.0176 65.9863 31.5420 177.6395 110 L 3.8368 8.0473 119.9688 58.2508 41.7744 179.0889 111 V 3.5182 7.5851 117.4743 66.1332 31.4146 178.1488 112 V 3.5984 7.8899 117.9081 65.8788 31.2382 178.2125 113 V 3.5124 8.0515 118.3154 65.8914 31.4870 177.9271 114 L 3.8487 8.0548 118.9190 57.7285 41.2635 179.4243 115 A 4.1239 7.8443 120.7644 55.2408 18.1248 179.7200 116 R 3.8366 8.0077 116.3918 59.5399 30.2487 178.1214 117 N 4.3947 8.3269 115.2436 54.7778 38.7901 175.7392 118 F 4.7545 8.1430 116.4382 55.7385 42.4587 176.6536 119 G 3.9559 8.1969 110.4798 45.8791 0.0000 175.6055 120 K 3.8168 9.1914 122.7085 59.4180 31.8674 177.1334 121 E 4.1523 7.9941 118.4065 58.9861 29.8535 177.1001 122 F 4.4030 8.2143 122.4961 56.7969 37.8754 175.2664 123 T 4.0733 7.3443 115.9649 60.1368 71.1407 173.3662 124 P 4.0658 0.0000 0.0000 65.7341 31.3109 179.0232 125 V 3.4550 7.5820 116.2500 65.8892 31.4984 177.5340 126 L 3.8055 7.4416 119.4533 58.1306 41.7796 178.6564 127 Q 3.3916 7.8433 119.3693 58.9229 28.7792 177.9242 128 A 3.9631 8.2028 122.1325 55.4589 18.4909 179.3704 129 D 4.2240 8.0944 117.1282 57.6215 40.8973 179.1311 130 F 4.0919 8.3099 118.2333 60.3018 38.8393 177.7055 131 Q 4.1207 8.5926 118.3907 59.0106 28.5140 179.0697 132 K 3.9368 7.8540 119.3076 59.3491 32.0646 179.5114 133 V 3.5059 7.5297 117.9559 66.2956 31.4827 178.6230 134 V 3.8519 8.4793 112.2825 64.2594 31.2769 178.4513 135 A 4.1095 8.3879 120.9758 55.0253 18.2174 179.9354 136 G 3.4785 8.0792 104.2565 47.8764 0.0000 176.1389 137 V 2.9488 7.8291 120.7265 65.2445 31.2438 177.7743 138 A 3.8766 7.7224 119.2553 55.4855 18.4317 179.0868 139 N 4.4850 8.3710 114.7460 56.3687 38.4145 177.5854 140 A 3.9933 7.9372 122.2464 55.0735 18.2911 179.4078 141 L 3.8614 7.6150 115.3896 56.3393 41.9722 178.2781 142 A 4.7215 7.5230 120.1198 52.5705 19.0298 178.0039 143 H 4.1955 7.8125 117.0912 59.4589 29.8306 176.9804 144 R 4.0214 7.6630 117.3695 58.8480 29.8153 178.0566 145 Y 4.1890 8.4258 117.0305 59.8839 38.3202 175.1253 146 H 4.5930 7.8526 118.5426 55.6249 28.9589 174.2907 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 2 M 8.30 4.39 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 3 L 7.36 4.23 0.00 1.70 1.52 0.84 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.49 4.22 4.22 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 1.19 0.00 0.00 5 A 8.44 3.97 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 6 E 8.09 3.98 0.00 2.19 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 0.00 2.34 2.37 0.00 7 E 7.88 3.88 0.00 2.22 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 2.44 2.31 0.00 8 K 8.15 3.81 0.00 1.76 1.83 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.51 7.81 9 A 7.86 3.96 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 10 A 8.10 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.17 3.56 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.14 0.00 0.00 12 T 8.58 4.01 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 1.28 0.00 0.00 13 A 7.87 4.10 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 14 F 8.33 4.26 0.00 3.32 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.75 4.25 0.00 3.96 3.35 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 16 G 7.87 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.48 4.32 0.00 1.41 1.88 0.00 1.72 0.00 0.00 1.49 0.00 0.00 3.46 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 18 V 6.38 3.49 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 0.07 0.00 0.00 0.02 0.00 0.00 19 K 8.37 4.14 0.00 1.71 1.82 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.37 7.81 20 V 8.04 3.53 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 1.02 0.00 0.00 0.96 0.00 0.00 21 D 8.01 4.32 0.00 2.86 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 22 E 7.95 3.95 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 2.33 2.29 0.00 23 V 7.92 3.68 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 0.91 0.00 0.00 0.84 0.00 0.00 24 G 8.43 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 0.00 0.00 0.00 25 G 7.89 3.63 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 26 E 8.12 3.93 0.00 2.18 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 2.27 2.28 0.00 27 A 8.11 3.94 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 28 L 7.87 3.95 0.00 1.93 1.63 0.87 0.70 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 29 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 30 R 8.06 3.87 0.00 2.06 1.95 0.00 3.13 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 31 L 8.17 4.04 0.00 1.90 1.93 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.87 4.07 0.00 1.86 1.68 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.56 3.51 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.93 0.00 0.00 34 V 7.93 3.55 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.76 0.00 0.00 35 Y 7.18 3.97 0.00 2.54 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 36 P 0.00 4.96 0.00 2.23 2.10 0.00 3.99 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 2.18 2.10 0.00 37 W 8.11 4.39 0.00 3.58 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.62 4.45 4.47 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 1.07 0.00 0.00 39 Q 8.05 4.22 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 40 R 7.78 3.83 0.00 1.81 1.62 0.00 3.12 0.00 0.00 2.89 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.57 0.00 41 F 7.93 4.16 0.00 2.64 2.39 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 42 F 8.19 4.48 0.00 2.79 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 0.00 0.00 0.00 43 E 8.34 4.03 0.00 2.20 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 2.33 2.35 0.00 44 S 7.99 4.38 0.00 4.14 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 45 F 8.24 4.50 0.00 3.25 3.20 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 46 G 7.35 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.77 4.55 0.00 2.66 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 48 L 8.30 4.92 0.00 1.67 1.63 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.20 4.31 0.00 3.97 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 50 T 7.49 4.68 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 51 A 8.42 3.95 1.32 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 0.00 0.00 52 D 8.09 4.27 0.00 2.69 2.72 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 53 A 7.92 4.00 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 0.00 0.00 0.00 0.00 0.00 54 V 7.47 3.53 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 0.88 0.00 0.00 1.01 0.00 0.00 55 M 7.73 4.20 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.94 0.00 56 N 7.90 4.71 0.00 2.82 2.84 0.00 0.00 7.01 8.15 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 57 N 7.55 4.39 0.00 2.98 2.89 0.00 0.00 7.12 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 58 P 0.00 4.26 0.00 2.13 2.04 0.00 3.62 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 2.08 2.15 0.00 59 K 7.91 3.67 0.00 1.37 0.74 0.00 1.38 0.00 0.00 1.08 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.24 7.81 60 V 8.33 3.71 2.35 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 1.07 0.00 0.00 1.07 0.00 0.00 61 K 7.93 3.88 0.00 2.02 1.83 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.55 7.81 62 A 8.09 3.95 1.32 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 0.00 0.00 63 H 8.64 4.34 0.00 3.53 3.59 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.62 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.08 4.01 0.00 1.96 2.02 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.63 7.81 66 K 7.86 4.07 0.00 2.01 1.88 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.51 7.81 67 V 7.88 3.69 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 1.39 0.00 0.00 1.05 0.00 0.00 68 L 8.05 4.49 0.00 1.83 1.89 1.10 1.43 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 69 D 8.40 4.51 0.00 2.98 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.20 4.16 0.00 3.98 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 71 F 8.81 4.11 0.00 3.44 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 72 S 8.86 4.30 0.00 4.23 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 0.00 73 N 8.54 4.56 0.00 2.95 2.90 0.00 0.00 7.10 7.59 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 74 G 8.11 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 0.00 0.00 0.00 75 M 8.11 4.03 0.00 1.68 2.10 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.37 0.00 76 K 7.56 4.32 0.00 1.85 1.67 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.60 7.81 77 H 7.95 4.98 0.00 3.08 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.93 4.05 0.00 1.59 1.70 0.82 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.95 4.65 0.00 2.65 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 80 D 7.78 4.96 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.85 4.19 0.00 1.77 1.82 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.15 4.04 0.00 1.66 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.43 7.81 83 G 7.96 3.67 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 0.00 0.00 0.00 84 T 7.68 3.67 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 0.64 0.00 0.00 85 F 7.91 4.63 0.00 3.05 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 86 A 7.67 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.89 3.94 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 88 L 7.90 4.05 0.00 1.95 1.83 1.00 0.88 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 89 S 8.52 4.21 0.00 4.01 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 90 E 8.04 3.96 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 2.31 2.32 0.00 91 L 7.92 3.93 0.00 1.83 1.86 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.70 4.32 0.00 3.45 3.70 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.07 4.36 0.00 3.14 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 8.28 4.35 0.00 2.72 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 95 K 7.90 4.35 0.00 1.95 1.80 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.41 7.81 96 L 7.80 4.53 0.00 1.79 1.72 0.76 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.61 4.29 0.00 3.37 3.44 0.00 5.65 0.00 0.00 0.00 0.00 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.08 3.67 2.02 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 0.16 0.00 0.00 0.49 0.00 0.00 99 D 8.65 4.30 0.00 2.70 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 0.00 100 P 0.00 3.00 0.00 2.00 1.87 0.00 3.27 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.54 0.00 101 E 7.87 3.91 0.00 2.11 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 2.24 2.42 0.00 102 N 8.03 4.35 0.00 2.56 2.79 0.00 0.00 6.85 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 0.00 103 F 7.26 4.52 0.00 3.05 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 0.00 104 K 8.04 4.06 0.00 2.02 1.86 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.62 7.81 105 L 7.58 3.85 0.00 1.57 1.03 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.23 4.13 0.00 1.88 1.81 1.01 1.01 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 0.00 107 G 8.26 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 0.00 0.00 0.00 108 N 8.48 4.46 0.00 2.93 2.95 0.00 0.00 6.70 7.74 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 0.00 109 V 8.14 3.64 2.29 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 1.18 0.00 0.00 1.18 0.00 0.00 110 L 8.05 3.84 0.00 1.85 1.71 0.23 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.59 3.52 2.32 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 1.35 0.00 0.00 1.16 0.00 0.00 112 V 7.89 3.60 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.03 0.00 0.00 113 V 8.05 3.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.01 0.00 0.00 114 L 8.05 3.85 0.00 0.88 0.53 0.47 0.70 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 0.00 115 A 7.84 4.12 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.01 3.84 0.00 1.93 2.05 0.00 3.23 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 117 N 8.33 4.39 0.00 2.78 2.41 0.00 0.00 6.84 7.93 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 0.00 118 F 8.14 4.75 0.00 3.41 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 0.00 119 G 8.20 3.96 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 0.00 0.00 0.00 120 K 9.19 3.82 0.00 1.78 1.95 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.50 7.81 121 E 7.99 4.15 0.00 2.14 2.46 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 0.00 2.65 2.44 0.00 122 F 8.21 4.40 0.00 2.99 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 0.00 123 T 7.34 4.07 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 1.27 0.00 0.00 124 P 0.00 4.07 0.00 2.11 2.09 0.00 3.54 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 2.07 2.10 0.00 125 V 7.58 3.46 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 0.98 0.00 0.00 0.88 0.00 0.00 126 L 7.44 3.81 0.00 1.57 1.15 0.95 0.21 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 0.00 127 Q 7.84 3.39 0.00 1.33 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 128 A 8.20 3.96 1.34 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 0.00 0.00 129 D 8.09 4.22 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.31 4.09 0.00 3.37 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 0.00 131 Q 8.59 4.12 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 132 K 7.85 3.94 0.00 1.87 1.82 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.64 7.81 133 V 7.53 3.51 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 1.04 0.00 0.00 0.65 0.00 0.00 134 V 8.48 3.85 2.22 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 0.87 0.00 0.00 1.14 0.00 0.00 135 A 8.39 4.11 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 0.00 136 G 8.08 3.48 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 0.00 0.00 0.00 0.00 137 V 7.83 2.95 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 -0.30 0.00 0.00 0.77 0.00 0.00 138 A 7.72 3.88 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 0.00 139 N 8.37 4.48 0.00 2.87 2.94 0.00 0.00 6.98 7.75 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 0.00 140 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 0.00 141 L 7.61 3.86 0.00 0.66 0.45 0.07 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.52 4.72 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 7.81 4.20 0.00 3.21 3.42 0.00 5.96 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.66 4.02 0.00 1.83 1.81 0.00 3.34 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 145 Y 8.43 4.19 0.00 2.93 3.02 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 0.00 146 H 7.85 4.59 0.00 3.25 3.32 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00