NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.5413 8.3033 117.8132 55.3318 30.4068 173.3928 1C H 3.9428 8.5162 114.1222 56.4204 25.8039 172.8498 1D H 4.1717 9.0654 115.0492 57.2350 26.9445 173.9811 1E H 5.0498 7.9297 113.8300 53.8441 32.7195 173.2533 1F H 4.6389 8.9138 116.9877 55.9203 29.0384 174.3570 1G F 4.8720 8.3844 119.7569 57.8098 39.9265 174.3765 2 N 4.6175 8.4465 117.2252 52.3914 39.1106 174.6145 3 L 4.7895 8.0504 123.1120 51.9888 44.2902 174.5480 4 P 4.5848 0.0000 0.0000 61.5744 32.7648 175.1116 5 P 4.4270 0.0000 0.0000 63.1313 33.0340 175.8013 6 G 3.9751 8.6768 107.6876 45.4881 0.0000 172.1045 7 N 4.4396 7.9485 114.7346 51.6524 39.9619 174.3686 8 Y 4.8440 8.0984 117.3894 58.2920 38.5109 177.0375 9 K 4.1871 8.6226 122.7940 58.5864 32.2655 177.4629 10 K 4.7210 7.6035 115.5608 53.2580 35.5052 173.7063 11 P 4.7342 0.0000 0.0000 63.3249 32.3320 175.0632 12 K 4.8396 9.3020 118.7480 55.2999 37.3999 175.0252 13 L 4.9606 9.2143 121.7582 53.5359 44.1353 176.2802 14 L 4.9577 8.6325 123.3243 53.6161 42.7404 174.0696 15 Y 4.7606 9.1672 126.4191 56.7316 40.4876 173.4584 16 C 4.2997 8.6602 128.3734 57.7394 32.5754 174.3954 17 S 4.0820 8.0755 120.5483 59.7889 63.1287 175.1406 18 N 4.1936 7.7766 119.9814 56.2615 38.7557 175.5334 19 G 3.8483 7.7219 103.0823 44.6506 0.0000 173.4424 20 G 3.2885 7.7744 107.6293 45.9693 0.0000 173.1198 21 H 4.7374 7.3559 115.5886 54.2024 31.2398 174.1390 22 F 5.2602 8.7947 120.3280 55.9909 40.7398 175.2747 23 L 4.5424 9.0292 125.5278 55.2795 43.3854 175.6432 24 R 4.9516 9.3734 125.8504 54.6285 33.7286 173.8204 25 I 4.7810 8.2218 126.5377 59.3505 39.0932 175.1782 26 D 4.3787 8.9351 127.6997 53.0532 41.7625 175.5421 27 P 4.2971 0.0000 0.0000 65.4883 31.3886 177.1087 28 D 4.4808 8.5617 115.9539 53.8153 39.7072 177.2266 29 G 4.0753 8.6905 110.5074 45.1130 0.0000 173.7496 30 T 4.4929 8.3396 110.7237 60.9393 69.8908 173.9040 31 V 4.8378 7.9195 122.4364 61.3718 34.7150 174.6079 32 D 4.5871 8.4695 124.5578 53.0549 42.7506 174.1021 33 G 4.5523 8.5994 104.6116 45.3473 0.0000 172.3462 34 T 4.9998 8.8652 115.2472 60.3865 70.9815 174.7267 35 R 4.1909 8.8421 124.2596 56.7955 31.0675 176.3362 36 D 4.5629 8.2774 119.0724 53.5342 40.2282 176.5259 37 R 3.8444 8.5971 127.4420 57.8694 30.2914 177.0117 38 S 4.4100 8.4744 111.2154 58.9523 63.6856 174.0945 39 D 4.3656 7.6917 121.7768 55.0333 41.2919 175.6592 40 Q 4.4625 8.4878 123.6059 56.3806 29.2119 175.6008 41 H 4.9713 9.0472 116.1109 55.5326 29.3945 174.9456 42 I 4.6456 7.2267 110.5165 59.6789 38.6019 175.1971 43 Q 4.2664 7.8581 121.9597 55.6794 29.7346 174.7540 44 L 5.1758 8.9347 124.3730 52.7804 45.7282 175.3150 45 Q 4.8617 9.2294 123.9117 54.4693 31.0898 174.4491 46 L 5.2729 8.6555 126.4396 53.7141 44.0216 176.1111 47 S 4.4136 8.4915 114.6926 56.7109 66.8763 172.5615 48 A 4.6372 7.8962 124.2002 50.9055 19.0425 176.8690 49 E 4.1218 8.8862 124.2864 57.8921 30.4027 176.1210 50 S 4.6007 7.3600 112.6362 56.7356 66.9412 173.4551 51 V 3.7790 8.2886 122.4534 64.6891 31.5062 176.5512 52 G 3.9475 9.2589 115.3087 45.1747 0.0000 171.6906 53 E 5.0687 8.4570 120.3820 54.6847 31.9230 175.6519 54 V 4.9021 9.2113 117.5889 59.7305 36.3177 174.2088 55 Y 5.5408 8.5604 119.2724 56.6561 41.0357 175.2720 56 I 4.5635 8.5649 122.3608 59.5558 40.4084 174.1821 57 K 4.7727 8.6598 128.7433 54.0430 35.4694 175.0763 58 S 4.6079 8.8399 122.7713 58.5849 62.7198 174.9726 59 T 3.9442 8.6683 118.0901 64.2529 68.8004 175.8339 60 E 4.0902 8.3477 122.8306 58.2509 29.8859 176.8899 61 T 4.3622 8.0570 106.0188 60.4305 70.0902 175.2117 62 G 3.8182 8.1674 109.9846 45.5968 0.0000 173.9005 63 Q 4.4231 7.6097 118.7947 56.0528 30.2395 174.6660 64 Y 4.6704 9.0034 120.2177 56.2442 40.3702 175.0638 65 L 4.4564 9.0104 125.8895 55.2611 43.5794 175.4803 66 A 5.1414 8.5985 125.6378 50.9607 23.3683 174.4003 67 M 5.3797 8.6690 119.0967 53.9165 34.8692 175.5894 68 D 5.2547 9.5157 126.5748 52.4632 41.1658 176.9153 69 T 3.9951 8.5811 112.8842 64.7774 67.2216 174.0238 70 D 4.8398 8.6755 119.6424 53.9848 41.1508 177.2045 71 G 3.4585 8.6809 107.5775 45.2669 0.0000 173.1839 72 L 4.7840 7.7650 119.8263 53.4637 43.3574 176.1310 73 L 5.0487 8.5805 123.4700 55.1260 42.7759 175.5952 74 Y 4.9809 8.9019 119.5131 56.0336 42.0482 173.4327 75 G 4.3015 8.8623 108.4171 44.9597 0.0000 173.1159 76 S 5.0420 8.9966 120.8833 56.8997 63.8128 175.3023 77 Q 4.3437 9.0261 125.7349 58.0940 28.9988 176.2541 78 T 4.6782 7.4828 106.0985 58.5400 71.8521 171.5462 79 P 3.6209 0.0000 0.0000 62.2680 32.1687 175.2224 80 N 4.9432 8.0362 117.7261 51.3470 40.1516 174.4557 81 E 3.9539 8.7031 114.6737 59.2308 29.8018 178.0553 82 E 4.0582 8.9162 118.5501 57.4372 29.7458 177.3081 83 C 4.9700 7.9411 115.3322 59.0564 29.0711 173.3679 84 L 4.6577 7.0987 121.0894 53.5741 43.0935 175.7825 85 F 5.1781 8.8764 121.0511 55.6097 43.6203 174.1251 86 L 4.8474 9.3529 123.2290 53.9759 42.6581 175.3920 87 E 4.6238 9.0000 126.8721 55.1606 30.3778 175.6115 88 R 4.8173 8.5342 125.0016 54.1268 34.9519 174.5269 89 L 4.7613 8.5981 123.5261 55.2215 43.1445 175.7799 90 E 4.7319 9.1530 124.3559 55.2116 33.6410 174.8962 91 E 4.0112 9.7212 123.4343 58.1151 27.3381 174.3300 92 N 4.3326 8.5700 110.0770 54.1515 36.7212 174.2039 93 H 4.7825 8.6509 116.1564 57.6414 35.8431 173.3018 94 Y 4.7116 7.8084 115.9227 57.1885 40.3624 173.7612 95 N 5.5630 9.4595 118.3192 51.9767 41.3110 174.5823 96 T 5.2481 8.8169 112.4187 60.1647 73.0129 172.5421 97 Y 5.0641 8.6994 119.2733 56.6202 41.5423 174.1798 98 I 4.6506 8.5781 125.9976 59.1098 39.6037 175.4270 99 S 3.9810 8.9587 122.3564 58.7413 62.3146 174.0796 100 K 3.9044 8.8170 129.4487 59.3192 32.2236 178.7646 101 K 3.8012 7.8515 118.2200 58.8921 32.4127 176.4721 102 H 4.5002 7.7040 115.7354 55.0035 29.5119 176.1204 103 A 3.9423 7.6512 125.0663 55.0120 18.3985 180.5457 104 E 4.0191 8.0399 115.4510 58.4220 29.8123 177.2722 105 K 4.3427 7.5828 115.8388 55.3444 32.7864 175.6986 106 N 3.8861 7.6493 115.4797 53.9728 36.4703 174.9326 107 W 4.9007 7.7923 117.7407 56.2180 30.7166 177.3692 108 F 5.4969 9.2188 124.0117 55.5490 41.2552 175.7475 109 V 3.9979 9.0081 121.5446 63.0279 32.4274 175.2234 110 G 4.4979 8.6667 112.9656 45.1487 0.0000 171.3130 111 L 5.2842 8.5727 121.6521 52.4677 44.9941 177.1477 112 K 4.2172 9.1169 123.3177 55.4498 32.9127 178.3695 113 K 3.9102 8.4141 119.4843 59.1560 31.9522 177.9159 114 N 4.5807 8.0929 114.0543 52.5838 37.8093 175.8853 115 G 3.5526 8.2504 108.5566 45.4224 0.0000 173.7761 116 S 4.7383 7.9541 116.1971 57.6160 63.9707 173.4942 117 C 4.7715 8.2895 120.6884 59.8518 28.6899 173.5139 118 K 4.3587 8.6972 122.0933 55.6625 33.0415 176.8317 119 R 4.0111 8.5051 123.6980 55.9491 31.2262 176.9969 120 G 3.3366 8.7254 115.8697 48.3900 0.0000 174.1546 121 P 4.1117 0.0000 0.0000 64.3296 31.4084 177.6551 122 R 4.2138 7.7809 115.8643 56.7620 30.3768 176.4477 123 T 5.0644 7.6127 108.2626 60.0855 70.6527 173.4803 124 H 4.7999 7.9163 115.2585 54.8523 30.6611 172.9326 125 Y 4.0296 8.7467 118.4324 60.0630 38.0975 177.0004 126 G 4.0963 9.0574 111.4690 45.5368 0.0000 173.9888 127 Q 4.2505 7.5292 118.7570 55.1955 29.7829 177.1571 128 K 3.5560 8.3149 119.3218 58.4943 32.8168 179.1987 129 A 4.0503 8.1345 121.4018 53.8767 18.2060 178.4907 130 I 4.4499 6.6597 105.8307 60.2929 38.5551 175.3789 131 L 4.4141 7.2856 123.2648 53.8998 42.7300 175.7779 132 F 5.4774 9.4324 122.2667 55.6158 43.5912 174.1537 133 L 5.3007 9.3710 121.0739 52.3545 44.9775 174.0665 134 P 5.1304 0.0000 0.0000 62.6807 32.0900 175.6230 135 L 4.8966 9.3046 125.1148 51.8725 44.7249 174.5930 136 P 4.6536 0.0000 0.0000 62.8448 32.0881 176.5996 137 V 3.9150 8.1851 115.7659 60.5806 32.4255 176.2909 138 S 4.1853 8.6393 118.5357 58.9131 62.8553 174.4453 139 S 4.3282 8.3499 118.5423 58.6954 63.1751 174.2621 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 1B H 8.30 4.54 0.00 3.11 3.44 0.00 5.73 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C H 8.52 3.94 0.00 3.47 3.42 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 9.07 4.17 0.00 3.29 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.93 5.05 0.00 3.13 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.91 4.64 0.00 3.33 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.38 4.87 0.00 2.69 3.01 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 2 N 8.45 4.62 0.00 2.95 2.78 0.00 0.00 6.85 6.74 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 3 L 8.05 4.79 0.00 1.44 1.39 0.55 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.58 0.00 2.15 2.14 0.00 3.68 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 1.96 1.91 0.00 5 P 0.00 4.43 0.00 2.16 2.07 0.00 3.83 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 1.93 1.93 0.00 6 G 8.68 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 7 N 7.95 4.44 0.00 2.63 2.66 0.00 0.00 5.89 7.55 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 8 Y 8.10 4.84 0.00 3.04 3.21 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 9 K 8.62 4.19 0.00 1.90 1.89 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.50 7.81 10 K 7.60 4.72 0.00 1.70 1.67 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.38 7.81 11 P 0.00 4.73 0.00 2.06 2.05 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 12 K 9.30 4.84 0.00 1.63 1.84 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.62 7.81 13 L 9.21 4.96 0.00 1.70 1.67 0.46 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.63 4.96 0.00 1.57 1.54 0.35 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.17 4.76 0.00 3.29 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 16 C 8.66 4.30 0.00 2.43 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 0.00 0.00 0.00 0.00 17 S 8.08 4.08 0.00 4.10 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 18 N 7.78 4.19 0.00 2.59 2.64 0.00 0.00 6.79 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.72 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 0.00 0.00 0.00 20 G 7.77 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 0.00 0.00 0.00 21 H 7.36 4.74 0.00 2.98 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.79 5.26 0.00 3.07 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 23 L 9.03 4.54 0.00 1.83 1.53 0.91 0.43 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 24 R 9.37 4.95 0.00 1.91 2.04 0.00 3.19 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 25 I 8.22 4.78 1.84 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 1.07 0.75 0.89 0.00 0.00 26 D 8.94 4.38 0.00 2.73 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 27 P 0.00 4.30 0.00 2.04 2.09 0.00 3.57 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 28 D 8.56 4.48 0.00 2.75 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 29 G 8.69 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 0.00 0.00 0.00 30 T 8.34 4.49 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 31 V 7.92 4.84 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 0.93 0.00 0.00 0.94 0.00 0.00 32 D 8.47 4.59 0.00 2.88 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 33 G 8.60 4.55 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 0.00 0.00 0.00 34 T 8.87 5.00 4.33 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 1.36 0.00 0.00 35 R 8.84 4.19 0.00 1.86 1.98 0.00 3.18 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.39 0.00 36 D 8.28 4.56 0.00 2.82 2.65 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 0.00 0.00 0.00 0.00 37 R 8.60 3.84 0.00 1.85 1.94 0.00 3.16 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.30 0.00 38 S 8.47 4.41 0.00 3.97 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.69 4.37 0.00 2.83 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 40 Q 8.49 4.46 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.23 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 41 H 9.05 4.97 0.00 3.32 3.43 0.00 5.76 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.23 4.65 1.90 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 1.03 0.00 0.00 43 Q 7.86 4.27 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 44 L 8.93 5.18 0.00 1.49 1.43 0.82 0.74 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 45 Q 9.23 4.86 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 46 L 8.66 5.27 0.00 1.80 1.69 0.91 1.00 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 47 S 8.49 4.41 0.00 3.87 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 48 A 7.90 4.64 1.09 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 49 E 8.89 4.12 0.00 1.49 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 50 S 7.36 4.60 0.00 3.87 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 51 V 8.29 3.78 2.31 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 0.91 0.00 0.00 1.03 0.00 0.00 52 G 9.26 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.46 5.07 0.00 2.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 54 V 9.21 4.90 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 0.82 0.00 0.00 1.26 0.00 0.00 55 Y 8.56 5.54 0.00 3.00 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 56 I 8.56 4.56 1.71 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.61 0.68 0.00 0.00 57 K 8.66 4.77 0.00 1.22 1.33 0.00 1.36 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.98 0.69 7.81 58 S 8.84 4.61 0.00 3.86 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 59 T 8.67 3.94 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 1.21 0.00 0.00 60 E 8.35 4.09 0.00 1.98 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 2.28 2.38 0.00 61 T 8.06 4.36 4.23 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 1.23 0.00 0.00 62 G 8.17 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 63 Q 7.61 4.42 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 64 Y 9.00 4.67 0.00 2.83 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.01 4.46 0.00 1.62 1.48 0.81 0.14 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 66 A 8.60 5.14 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.67 5.38 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.77 0.00 68 D 9.52 5.25 0.00 2.91 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 69 T 8.58 4.00 4.33 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 1.27 0.00 0.00 70 D 8.68 4.84 0.00 2.70 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 71 G 8.68 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.77 4.78 0.00 1.88 1.64 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.58 5.05 0.00 1.58 1.63 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.90 4.98 0.00 3.00 3.01 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 75 G 8.86 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 0.00 0.00 0.00 0.00 76 S 9.00 5.04 0.00 3.76 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 77 Q 9.03 4.34 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 78 T 7.48 4.68 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 1.21 0.00 0.00 79 P 0.00 3.62 0.00 1.55 0.49 0.00 3.49 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.51 0.00 80 N 8.04 4.94 0.00 2.90 2.91 0.00 0.00 6.01 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 81 E 8.70 3.95 0.00 2.10 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 0.00 2.34 2.29 0.00 82 E 8.92 4.06 0.00 2.27 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 2.38 2.34 0.00 83 C 7.94 4.97 0.00 3.26 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 84 L 7.10 4.66 0.00 1.43 1.36 0.80 0.17 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 85 F 8.88 5.18 0.00 3.11 3.12 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 86 L 9.35 4.85 0.00 1.53 1.62 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.00 4.62 0.00 2.18 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 2.20 1.98 0.00 88 R 8.53 4.82 0.00 1.80 1.82 0.00 3.19 0.00 0.00 2.91 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 89 L 8.60 4.76 0.00 1.53 1.60 0.93 0.80 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 90 E 9.15 4.73 0.00 2.24 1.88 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 2.30 2.45 0.00 91 E 9.72 4.01 0.00 2.41 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 92 N 8.57 4.33 0.00 2.82 2.87 0.00 0.00 6.86 8.16 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 93 H 8.65 4.78 0.00 2.88 2.87 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.81 4.71 0.00 3.06 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 95 N 9.46 5.56 0.00 3.03 2.56 0.00 0.00 6.94 6.72 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 96 T 8.82 5.25 4.57 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 1.38 0.00 0.00 97 Y 8.70 5.06 0.00 2.81 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 98 I 8.58 4.65 1.69 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.44 0.63 0.00 0.00 99 S 8.96 3.98 0.00 4.09 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 0.00 100 K 8.82 3.90 0.00 1.63 1.63 0.00 1.64 0.00 0.00 1.42 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.12 7.81 101 K 7.85 3.80 0.00 1.72 1.65 0.00 1.48 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.27 1.06 7.81 102 H 7.70 4.50 0.00 2.98 2.04 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.65 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 0.00 104 E 8.04 4.02 0.00 1.88 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 2.25 2.35 0.00 105 K 7.58 4.34 0.00 1.08 1.80 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.19 7.81 106 N 7.65 3.89 0.00 3.03 2.96 0.00 0.00 6.90 7.81 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 0.00 107 W 7.79 4.90 0.00 3.29 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 0.00 108 F 9.22 5.50 0.00 2.83 3.04 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 0.00 109 V 9.01 4.00 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 0.67 0.00 0.00 0.54 0.00 0.00 110 G 8.67 4.50 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 0.00 111 L 8.57 5.28 0.00 1.43 1.42 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.12 4.22 0.00 1.90 1.67 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.35 7.81 113 K 8.41 3.91 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.36 7.81 114 N 8.09 4.58 0.00 2.79 2.89 0.00 0.00 6.21 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 0.00 115 G 8.25 3.55 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 0.00 0.00 0.00 116 S 7.95 4.74 0.00 4.03 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 0.00 117 C 8.29 4.77 0.00 2.86 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 0.00 118 K 8.70 4.36 0.00 1.59 1.68 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.32 7.81 119 R 8.51 4.01 0.00 1.79 1.62 0.00 3.23 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 120 G 8.73 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 0.00 0.00 0.00 121 P 0.00 4.11 0.00 1.90 2.14 0.00 3.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 122 R 7.78 4.21 0.00 1.82 1.91 0.00 3.28 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 123 T 7.61 5.06 4.28 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 1.26 0.00 0.00 124 H 7.92 4.80 0.00 3.39 3.52 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.75 4.03 0.00 3.16 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 0.00 126 G 9.06 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 0.00 127 Q 7.53 4.25 0.00 1.84 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 128 K 8.31 3.56 0.00 1.76 1.64 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.31 7.81 129 A 8.13 4.05 1.16 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 0.00 130 I 6.66 4.45 1.54 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.79 0.48 0.00 0.00 131 L 7.29 4.41 0.00 1.01 0.55 0.25 0.81 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 0.00 132 F 9.43 5.48 0.00 3.39 3.12 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 0.00 133 L 9.37 5.30 0.00 1.82 1.65 1.05 0.73 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 0.00 134 P 0.00 5.13 0.00 2.15 2.21 0.00 3.82 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 2.04 2.08 0.00 135 L 9.30 4.90 0.00 1.66 1.62 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.65 0.00 1.92 1.98 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 137 V 8.19 3.92 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 0.65 0.00 0.00 0.91 0.00 0.00 138 S 8.64 4.19 0.00 3.75 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 0.00 139 S 8.35 4.33 0.00 3.84 3.68 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