NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5580 8.1849 122.7612 55.3160 43.3784 175.3600 2 Q 4.6717 9.0810 125.3050 53.9111 33.4041 172.5346 3 R 5.1709 8.6959 117.4511 55.3622 34.2589 174.8416 4 T 4.7300 8.8469 115.3217 60.7096 71.8681 171.7990 5 L 5.1336 8.4944 127.5792 53.4512 44.3633 175.2516 6 V 4.9563 9.0602 125.7687 61.0829 35.0787 173.9274 7 L 5.0454 8.7691 126.4841 52.9582 45.2843 175.5352 8 I 4.7850 8.3528 124.1260 59.4309 38.9667 175.7138 9 K 4.4316 8.8002 127.2581 55.4191 33.1012 176.7449 10 P 4.5089 0.0000 0.0000 65.2774 30.9836 178.7033 11 D 4.5594 8.4765 117.1651 56.2501 39.2380 178.3293 12 A 3.9971 8.2427 122.3806 55.2192 18.4771 179.6618 13 F 3.9074 8.4424 115.8067 60.4505 38.8640 177.2026 14 E 4.0723 8.2752 118.1105 59.0892 29.4825 178.3428 15 R 4.4432 8.0969 114.6839 54.7625 30.9915 176.3336 16 S 3.6873 7.6958 113.0266 60.2503 60.9006 172.8247 17 L 4.5755 7.9850 116.9830 54.5035 42.6552 179.0969 18 V 3.3627 7.7042 119.3820 66.2007 31.2638 177.6994 19 A 3.9371 7.7921 119.6875 54.9503 18.0678 178.7908 20 E 3.8336 8.0909 116.3458 59.5982 29.8407 178.8555 21 I 3.8483 7.9628 119.7195 64.8521 37.2620 178.4379 22 M 4.2557 8.4534 119.9383 58.3614 31.7019 179.1536 23 G 3.6340 8.7127 106.3710 47.8012 0.0000 176.0609 24 R 3.9990 7.6176 119.5826 58.8125 30.2013 178.7943 25 I 3.8834 7.5879 119.4890 63.9236 37.2616 177.6890 26 E 3.9734 8.1414 120.2664 59.2884 29.3158 179.0128 27 K 4.1095 8.0643 116.9557 58.3908 32.1572 178.1904 28 K 4.2053 7.4896 118.0467 55.8521 32.2612 175.6527 29 N 4.2180 7.9347 114.8607 55.2768 37.5983 173.5728 30 F 4.6504 8.0357 113.4260 55.5776 40.9629 175.3681 31 K 4.8446 8.8183 123.0086 54.7911 35.2530 175.5734 32 I 4.3356 8.3390 123.7126 61.1663 37.1466 175.8848 33 V 4.0049 8.8684 128.8080 65.0289 32.0753 176.1741 34 S 4.6447 7.3707 112.9029 57.3674 66.5849 172.3827 35 M 5.3993 8.2699 119.2152 54.7761 35.2390 173.7793 36 K 4.6193 9.8196 125.4469 54.5019 36.3004 174.8120 37 F 5.0319 8.7205 126.6627 56.5061 40.9382 174.7375 38 W 4.5198 8.3730 127.7211 54.6875 29.8659 177.6584 39 S 3.5990 8.3985 120.6879 60.3852 62.5885 174.6158 40 K 3.9398 7.3446 117.9896 55.3541 34.3911 174.0230 41 A 4.0085 8.5064 130.4024 50.7162 19.2703 175.0684 42 P 4.1471 0.0000 0.0000 62.8849 32.0364 177.1839 43 R 3.8398 8.8366 123.1664 59.6780 29.6377 178.1440 44 N 4.2853 7.9737 116.2179 55.8017 37.2490 176.9789 45 L 3.4624 7.3751 120.7836 57.3607 41.5727 179.6310 46 I 3.8068 7.3495 118.9722 64.5008 36.9278 178.1493 47 E 4.1430 8.2684 118.4884 59.5317 29.5416 179.2551 48 Q 4.1219 8.3496 118.3010 59.2674 28.5938 177.9352 49 H 3.9697 8.1043 118.2140 59.2473 29.7808 175.7898 50 Y 4.7725 7.9879 116.3075 57.5767 37.9853 177.4790 51 K 3.7205 8.4255 123.7862 60.3502 32.4648 177.7047 52 E 4.2705 8.2488 116.6594 57.2707 29.6536 176.0531 53 H 4.9712 9.2937 115.1788 56.2369 30.8220 176.0971 54 S 2.0000 7.1507 114.0509 59.9658 62.6537 175.2213 55 E 4.4483 7.7972 118.6830 55.9213 29.9223 175.2196 56 Q 4.4171 8.3552 119.3086 53.8390 30.4811 176.8780 57 S 4.0541 8.5874 116.4820 61.7901 62.8960 175.1879 58 Y 4.3818 7.4166 116.6212 57.2333 38.7476 176.6481 59 F 4.0165 8.1787 124.2433 61.9945 39.3296 176.7410 60 N 4.2573 8.2418 115.2802 56.3224 38.3386 177.1227 61 D 4.3244 8.0110 119.9018 57.2557 41.0398 178.0650 62 N 4.2753 8.3841 117.8168 56.8707 38.6916 176.6882 63 C 3.9342 7.3538 116.5372 62.8871 28.3468 175.4195 64 D 4.4550 8.1602 120.5175 57.2492 40.3645 178.7907 65 F 4.2328 8.4043 121.2757 61.6406 39.3530 176.9940 66 M 3.7601 8.2317 116.2191 56.8102 31.7704 177.5476 67 V 4.1570 6.8600 116.9646 62.4411 32.6142 176.4112 68 S 4.4574 8.1828 112.8263 60.3706 63.4339 173.2060 69 G 3.9208 7.1122 109.4925 43.9648 0.0000 170.2968 70 P 4.5178 0.0000 0.0000 62.6853 32.6776 175.5882 71 I 5.1917 7.7070 112.6148 60.3237 41.4806 173.6546 72 I 5.3517 8.5505 123.4854 59.6556 40.9029 174.3149 73 S 5.0799 9.5329 122.1126 56.8789 65.1051 173.2243 74 I 4.9974 8.8794 124.9160 59.2928 41.4581 174.2945 75 V 4.6651 8.5157 126.3708 61.3990 33.5924 173.8281 76 Y 5.4418 8.8737 125.7651 56.2588 40.8929 174.2916 77 E 5.4978 8.9663 123.9999 53.2948 32.9769 175.1484 78 G 4.4705 8.3239 112.1507 46.3363 0.0000 172.0596 79 T 4.2365 8.5026 117.2150 64.5554 68.6821 174.1796 80 D 4.5236 9.0759 125.7993 54.6518 40.1375 175.1813 81 A 3.7688 8.5108 120.3870 55.1960 18.2346 179.4995 82 I 3.5687 8.0568 117.9202 64.6652 37.2375 178.5895 83 S 4.0707 7.9211 113.0501 61.4077 62.4215 176.2687 84 K 4.0077 8.2763 121.3655 59.6682 31.8339 179.4618 85 I 3.5928 7.6906 119.9112 63.7020 36.9116 178.5374 86 R 3.8387 7.7021 119.6740 59.3112 29.6911 178.7306 87 R 3.9004 7.7416 116.8580 59.1599 30.3025 178.3452 88 L 4.0582 7.8882 120.1269 58.2313 42.0439 178.8034 89 Q 3.9021 8.3083 119.6210 59.5995 29.2340 176.6340 90 G 3.9026 8.2606 108.5464 46.2328 0.0000 171.1725 91 N 5.0849 8.1146 115.7138 50.8629 40.6336 175.3479 92 I 3.8545 8.3821 118.9282 63.8712 37.1078 177.0629 93 L 4.3607 7.8194 118.1501 54.7952 42.0669 176.5385 94 T 4.4442 7.9210 116.5986 60.6610 69.5856 171.8146 95 P 4.5736 0.0000 0.0000 63.6957 31.9551 176.6004 96 G 4.0385 9.4457 110.0233 45.5398 0.0000 174.4605 97 T 4.5599 7.4497 109.5107 59.7679 72.3565 175.6359 98 I 3.6763 8.3468 121.9495 64.7861 37.1030 179.1932 99 R 4.0408 8.1495 118.9795 59.1452 29.6540 179.3989 100 G 4.1643 7.9753 106.0630 47.0010 0.0000 174.7301 101 D 4.6769 8.0850 119.5614 54.9799 41.5945 177.2195 102 L 4.6182 8.1192 115.8445 53.9176 43.6230 175.9275 103 A 4.8677 7.7770 120.7783 50.6576 21.8872 175.9138 104 N 4.9370 8.1678 116.4759 51.2921 39.0203 173.3172 105 D 4.5936 7.5654 114.9666 53.3121 44.3415 174.4776 106 I 3.9820 8.1056 115.7016 61.7514 38.5570 176.2175 107 R 4.1043 9.4343 120.5417 57.9133 31.0518 176.9532 108 E 3.9767 7.6427 119.8468 54.7288 27.3723 176.0863 109 N 4.9824 7.9922 125.6652 52.7487 38.5398 177.9613 110 L 4.2726 9.3250 120.0066 57.9655 41.9682 174.5729 111 I 5.2216 9.0899 114.8438 59.7414 41.5944 173.8000 112 H 5.2517 9.2647 126.2598 54.3741 33.0739 172.1940 113 A 5.0623 8.0558 125.7504 49.9068 21.9797 176.1003 114 S 4.3355 8.3822 118.3173 59.2697 63.4199 174.4830 115 D 4.7473 8.5503 121.7712 52.9942 39.9440 176.0439 116 S 4.5537 7.2009 113.9709 56.9926 66.6201 175.9348 117 E 3.9768 8.4737 121.3273 59.3919 29.1033 179.4057 118 D 4.3143 8.0011 118.6051 57.4464 40.9959 178.3372 119 S 4.0911 8.0320 115.3553 61.7833 62.9124 176.5913 120 A 4.2805 8.1691 123.1576 55.4381 18.2563 179.7399 121 V 3.5669 7.6696 115.9336 66.4427 31.6767 177.2718 122 D 4.3283 8.6280 117.9956 57.6900 41.1806 178.0288 123 E 4.1075 9.3465 119.9530 59.6503 29.5562 179.7019 124 I 4.1347 8.4970 120.3267 64.3041 36.9020 178.5741 125 S 4.1777 7.8525 114.8992 61.7205 62.8125 176.2250 126 I 3.6536 7.3201 120.6244 64.4359 36.9914 178.1227 127 W 4.4065 7.8709 116.5242 57.6130 30.4122 176.7345 128 F 5.0282 8.4796 116.6296 56.0948 39.1325 172.9154 129 P 4.4574 0.0000 0.0000 65.7390 31.9897 176.7752 130 E 4.1918 8.2695 120.0771 56.7431 29.3270 176.8172 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 1 L 8.18 4.56 0.00 1.68 1.69 0.96 0.38 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 2 Q 9.08 4.67 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 3 R 8.70 5.17 0.00 1.66 1.80 0.00 3.35 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 4 T 8.85 4.73 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 1.27 0.00 0.00 5 L 8.49 5.13 0.00 1.98 1.63 1.27 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 6 V 9.06 4.96 2.26 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 1.12 0.00 0.00 1.07 0.00 0.00 7 L 8.77 5.05 0.00 1.55 1.31 0.41 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.35 4.79 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.31 0.92 0.00 0.00 9 K 8.80 4.43 0.00 2.07 1.80 0.00 1.95 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.52 7.81 10 P 0.00 4.51 0.00 1.73 2.00 0.00 3.17 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.00 0.00 11 D 8.48 4.56 0.00 2.99 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.24 4.00 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 13 F 8.44 3.91 0.00 3.35 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 14 E 8.28 4.07 0.00 2.29 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 2.41 2.61 0.00 15 R 8.10 4.44 0.00 1.82 1.94 0.00 3.40 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 16 S 7.70 3.69 0.00 4.01 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 17 L 7.98 4.58 0.00 1.64 1.62 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.70 3.36 1.80 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 0.88 0.00 0.00 0.03 0.00 0.00 19 A 7.79 3.94 1.29 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 20 E 8.09 3.83 0.00 1.93 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 2.28 2.46 0.00 21 I 7.96 3.85 1.99 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 1.52 0.70 0.92 0.00 0.00 22 M 8.45 4.26 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.68 0.00 23 G 8.71 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 24 R 7.62 4.00 0.00 1.85 1.99 0.00 3.15 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 25 I 7.59 3.88 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.41 -0.03 0.00 0.00 26 E 8.14 3.97 0.00 2.17 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 2.32 2.39 0.00 27 K 8.06 4.11 0.00 1.84 1.85 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.58 7.81 28 K 7.49 4.21 0.00 1.77 2.21 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.19 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.86 1.58 7.81 29 N 7.93 4.22 0.00 2.76 2.63 0.00 0.00 7.06 6.59 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 30 F 8.04 4.65 0.00 2.84 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 31 K 8.82 4.84 0.00 1.73 1.75 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.56 7.81 32 I 8.34 4.34 1.87 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 1.09 0.65 0.79 0.00 0.00 33 V 8.87 4.00 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 0.67 0.00 0.00 0.93 0.00 0.00 34 S 7.37 4.64 0.00 3.48 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.27 5.40 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 36 K 9.82 4.62 0.00 1.50 0.92 0.00 1.15 0.00 0.00 1.45 0.00 0.00 2.54 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.20 1.49 7.81 37 F 8.72 5.03 0.00 3.03 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 38 W 8.37 4.52 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 39 S 8.40 3.60 0.00 3.94 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 40 K 7.34 3.94 0.00 1.60 1.64 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.20 1.43 7.81 41 A 8.51 4.01 1.05 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 0.00 0.00 42 P 0.00 4.15 0.00 1.98 1.94 0.00 3.11 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 2.16 2.13 0.00 43 R 8.84 3.84 0.00 1.81 1.90 0.00 3.15 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 44 N 7.97 4.29 0.00 2.86 3.00 0.00 0.00 6.28 6.67 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 45 L 7.38 3.46 0.00 1.35 0.46 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.35 3.81 1.97 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.84 0.97 0.00 0.00 47 E 8.27 4.14 0.00 2.09 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 0.00 2.41 2.58 0.00 48 Q 8.35 4.12 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 49 H 8.10 3.97 0.00 3.25 3.58 0.00 5.93 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 50 Y 7.99 4.77 0.00 3.32 3.24 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 51 K 8.43 3.72 0.00 1.90 2.27 0.00 1.30 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.43 7.81 52 E 8.25 4.27 0.00 1.92 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 2.25 2.33 0.00 53 H 9.29 4.97 0.00 3.65 3.54 0.00 5.71 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.15 2.00 0.00 3.28 3.52 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 55 E 7.80 4.45 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 56 Q 8.36 4.42 0.00 1.19 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 57 S 8.59 4.05 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.42 4.38 0.00 3.15 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 59 F 8.18 4.02 0.00 3.16 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 60 N 8.24 4.26 0.00 2.82 2.87 0.00 0.00 7.05 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.01 4.32 0.00 2.71 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 62 N 8.38 4.28 0.00 2.80 2.56 0.00 0.00 7.24 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 63 C 7.35 3.93 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.16 4.45 0.00 2.87 2.73 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 65 F 8.40 4.23 0.00 2.97 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 66 M 8.23 3.76 0.00 1.89 2.16 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 2.65 2.81 0.00 67 V 6.86 4.16 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 0.82 0.00 0.00 0.87 0.00 0.00 68 S 8.18 4.46 0.00 4.02 4.11 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 69 G 7.11 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 70 P 0.00 4.52 0.00 0.49 1.32 0.00 3.33 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 1.87 2.00 0.00 71 I 7.71 5.19 1.82 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.65 0.76 0.00 0.00 72 I 8.55 5.35 2.10 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 1.05 0.00 0.00 73 S 9.53 5.08 0.00 3.90 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 74 I 8.88 5.00 1.61 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 1.06 0.67 -0.00 0.00 0.00 75 V 8.52 4.67 1.79 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 0.84 0.00 0.00 0.33 0.00 0.00 76 Y 8.87 5.44 0.00 2.95 2.73 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 E 8.97 5.50 0.00 2.01 1.83 0.00 0.00 0.00 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 2.26 0.00 78 G 8.32 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 0.00 0.00 0.00 0.00 79 T 8.50 4.24 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 80 D 9.08 4.52 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.51 3.77 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 82 I 8.06 3.57 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.19 0.94 0.00 0.00 83 S 7.92 4.07 0.00 3.89 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 84 K 8.28 4.01 0.00 1.95 2.04 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.72 2.01 7.81 85 I 7.69 3.59 1.71 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.36 0.71 0.00 0.00 86 R 7.70 3.84 0.00 2.10 1.89 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 87 R 7.74 3.90 0.00 2.00 1.97 0.00 3.24 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 88 L 7.89 4.06 0.00 1.91 1.70 0.93 0.58 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 89 Q 8.31 3.90 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.52 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 90 G 8.26 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.11 5.08 0.00 2.88 2.88 0.00 0.00 5.98 7.77 0.00 0.00 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 I 8.38 3.85 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.88 0.94 0.00 0.00 93 L 7.82 4.36 0.00 1.84 1.69 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.92 4.44 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 95 P 0.00 4.57 0.00 2.03 1.98 0.00 3.64 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 2.02 2.08 0.00 96 G 9.45 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 97 T 7.45 4.56 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 98 I 8.35 3.68 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.71 0.91 0.00 0.00 99 R 8.15 4.04 0.00 1.97 1.99 0.00 3.38 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 100 G 7.98 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 0.00 101 D 8.08 4.68 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 0.00 102 L 8.12 4.62 0.00 1.59 1.66 0.92 0.57 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 0.00 103 A 7.78 4.87 1.20 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 0.00 0.00 104 N 8.17 4.94 0.00 2.61 2.69 0.00 0.00 6.74 8.47 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 0.00 105 D 7.57 4.59 0.00 2.55 2.54 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 0.00 106 I 8.11 3.98 1.74 0.00 0.00 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 1.12 0.90 0.85 0.00 0.00 107 R 9.43 4.10 0.00 1.53 1.74 0.00 2.98 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 0.65 1.29 0.00 108 E 7.64 3.98 0.00 1.81 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 1.47 1.80 0.00 109 N 7.99 4.98 0.00 2.91 2.95 0.00 0.00 6.26 6.67 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 0.00 110 L 9.33 4.27 0.00 1.82 1.81 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 111 I 9.09 5.22 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.95 0.97 0.00 0.00 112 H 9.26 5.25 0.00 3.37 3.11 0.00 5.78 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 0.00 113 A 8.06 5.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.38 4.34 0.00 3.80 3.94 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 0.00 115 D 8.55 4.75 0.00 2.79 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 0.00 116 S 7.20 4.55 0.00 4.02 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 0.00 117 E 8.47 3.98 0.00 2.05 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 0.00 2.42 2.41 0.00 118 D 8.00 4.31 0.00 2.70 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 0.00 119 S 8.03 4.09 0.00 4.05 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 0.00 120 A 8.17 4.28 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 0.00 121 V 7.67 3.57 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 1.01 0.00 0.00 1.03 0.00 0.00 122 D 8.63 4.33 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 9.35 4.11 0.00 2.13 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 2.13 2.40 0.00 124 I 8.50 4.13 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.95 1.06 0.00 0.00 125 S 7.85 4.18 0.00 4.06 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 0.00 126 I 7.32 3.65 1.80 0.00 0.00 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 1.35 0.54 0.08 0.00 0.00 127 W 7.87 4.41 0.00 3.30 2.98 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 0.00 128 F 8.48 5.03 0.00 3.23 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 0.00 129 P 0.00 4.46 0.00 2.09 2.15 0.00 3.77 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 2.06 2.28 0.00 130 E 8.27 4.19 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00