NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3230 8.3049 120.3414 54.8708 33.5826 175.1419 2 K 4.2959 8.3486 125.5420 55.5927 33.7058 174.1240 3 K 5.2035 10.4270 125.5982 54.7886 35.9288 174.4876 4 I 5.1493 8.9342 127.1767 59.4286 40.7558 174.0849 5 L 5.1691 9.0295 127.7147 53.2533 44.9249 174.5419 6 L 5.2134 9.1797 129.0052 53.6328 44.1096 174.8795 7 L 5.5282 9.2290 126.1070 53.0868 45.4578 175.1896 8 N 5.3835 9.1518 120.2093 51.7372 42.2099 175.2019 9 G 4.2597 8.9744 113.9745 43.7962 0.0000 171.2080 10 P 4.3108 0.0000 0.0000 64.5025 31.4951 177.3492 11 N 4.4951 9.5178 116.6770 53.9850 38.0198 176.4189 12 L 4.1141 7.4895 118.1601 56.9697 41.8454 178.8262 13 N 4.4077 8.0159 115.0484 55.3269 37.4932 175.5088 14 M 4.3192 8.0188 117.9725 55.1498 32.1297 176.0652 15 L 3.9668 7.4338 120.1328 56.5737 42.3519 177.0687 16 G 4.0147 8.7518 109.2289 43.9158 0.0000 175.7231 17 K 3.4484 7.2287 119.3277 57.1556 31.1612 175.4410 18 R 3.9354 8.7103 121.7129 58.8571 30.3457 177.4434 19 E 3.7179 8.6352 116.1259 56.9899 26.5229 172.9101 20 P 4.3494 0.0000 0.0000 65.8229 32.0130 177.8293 21 H 4.8413 7.9213 112.8250 56.3309 28.5305 175.9232 22 I 4.3750 7.3939 121.3868 62.1397 38.1121 176.5236 23 Y 4.5155 7.8609 119.4812 57.5544 39.3794 175.0910 24 G 3.7958 8.6438 104.7049 44.7730 0.0000 173.9836 25 S 4.5807 7.7549 114.7915 57.1322 63.6870 172.3896 26 Q 4.6047 8.0045 119.4099 53.7862 31.2899 174.9933 27 T 4.6467 8.4538 112.0163 59.7795 71.8779 175.7318 28 L 3.8977 8.1526 121.7339 58.1309 42.0502 178.7194 29 S 4.1102 7.9567 114.8422 61.5888 62.7802 176.1985 30 D 4.3181 8.0118 121.4241 57.4627 40.5809 178.9474 31 I 3.6308 7.3882 119.9706 64.3461 37.0399 178.3768 32 E 3.5886 8.1417 119.6811 59.3096 29.0720 179.4630 33 Q 3.9155 7.8734 117.9665 59.0728 28.7949 178.2156 34 H 4.0893 8.2013 119.1420 59.4544 29.8834 177.3273 35 L 3.9071 7.9791 120.6872 57.5660 41.4243 179.2309 36 Q 4.0219 8.2099 119.5564 59.4892 29.1080 178.4760 37 Q 4.0398 8.2827 119.1260 59.1363 28.2489 179.0422 38 S 4.1229 8.1926 115.9697 61.4554 62.7913 176.6507 39 A 3.9104 8.2634 123.6528 55.2599 18.1491 179.7240 40 Q 4.3816 8.5404 117.7614 58.5558 28.5644 178.8005 41 A 4.1271 8.0825 120.6442 54.2309 18.4476 178.5473 42 Q 4.5444 7.4739 114.3869 55.3862 29.2083 176.2301 43 G 3.7969 8.1950 108.1964 45.6955 0.0000 172.8763 44 Y 4.7401 8.1644 116.2166 55.7147 41.7557 174.2042 45 E 4.7413 8.8011 122.9165 54.8367 31.8097 174.5054 46 L 5.2813 8.4820 127.5506 53.6337 44.8484 175.1521 47 D 5.1025 9.1252 126.1975 53.0737 43.6869 174.9168 48 Y 5.5267 7.4845 117.1203 56.0867 41.5942 173.9138 49 F 5.0366 9.0300 120.8369 57.5349 43.4445 172.5687 50 Q 5.3564 7.6497 124.0944 53.6938 32.0279 173.5180 51 A 4.4634 8.2678 124.9690 51.0922 22.2542 175.6156 52 N 4.7639 8.8202 115.7154 53.0327 39.3070 175.8393 53 G 4.5165 7.6887 104.5257 42.1036 0.0000 173.6478 54 E 3.7898 8.5928 121.1920 59.0040 29.4215 179.3192 55 E 3.8620 8.1053 118.8117 59.4485 29.8959 178.8737 56 S 4.2039 8.0992 114.5350 61.7249 63.0250 176.6413 57 L 4.2564 7.9447 121.1420 57.9576 41.3193 179.6668 58 I 3.6129 8.2293 120.1667 64.3628 37.0086 178.2540 59 N 4.1940 8.3079 117.5865 56.2593 38.1037 177.4834 60 R 3.9235 7.3695 120.1795 58.6816 30.4061 178.3669 61 I 3.8410 7.7239 119.7689 64.7043 37.1879 178.1323 62 H 4.2913 8.3863 117.3040 58.9725 28.3506 177.8978 63 Q 4.0957 8.1883 119.4480 58.3748 28.4940 177.9975 64 A 4.5520 7.7800 121.9796 51.6317 18.5703 177.0081 65 F 4.4075 7.3841 119.8841 60.0612 39.6129 175.2103 66 Q 3.4592 8.7053 124.9370 56.2157 26.3995 173.3965 67 N 4.9700 8.1893 113.5113 51.9399 38.8772 173.9067 68 T 4.6961 7.8598 115.4909 62.1000 70.9776 173.4163 69 D 4.8760 8.8604 125.0871 55.2843 42.2003 176.3929 70 F 4.8567 7.8957 118.6969 57.1859 43.0365 172.5712 71 I 5.2463 8.3312 124.8456 59.6222 40.9867 174.4209 72 I 5.2218 9.0533 126.7259 59.6802 39.9756 174.4670 73 I 5.1488 9.1342 127.1505 59.3012 41.8282 173.4232 74 N 5.4948 9.5267 128.3307 50.3811 40.0686 172.8396 75 P 4.5545 0.0000 0.0000 62.4736 33.0203 177.8901 76 G 3.8208 8.5482 108.5143 46.2332 0.0000 175.9018 77 A 4.1361 8.4128 121.4889 55.1701 18.7016 179.4700 78 F 4.9551 7.6451 113.7911 59.5882 39.3625 177.5865 79 T 3.9542 8.2670 118.4223 66.7353 68.2729 175.6082 80 H 4.9683 8.3631 115.6711 55.8709 29.1200 175.8928 81 T 4.6668 8.0263 107.6799 61.2892 70.2598 173.1586 82 S 4.3559 8.4336 117.9057 56.8180 61.3126 174.2751 83 V 3.2672 7.6419 127.5912 65.1370 31.3580 177.2899 84 A 3.8682 7.6639 120.4146 55.1129 18.2516 179.5069 85 I 3.6246 7.7980 118.4191 64.0942 37.1551 178.4972 86 R 3.8533 7.5796 119.0057 59.7785 29.9340 178.4615 87 D 4.3722 8.3126 118.2788 56.9588 40.5562 178.7374 88 A 3.9740 7.7851 121.6365 55.1216 17.5358 179.6869 89 L 3.8833 7.9144 117.5387 57.8836 41.0943 179.8006 90 L 4.1930 8.1365 118.8105 57.6232 41.3142 179.3690 91 A 3.9687 7.9442 120.1686 54.6082 18.3893 179.1889 92 V 3.7434 7.4626 108.2930 60.6191 32.4999 176.0755 93 S 3.7752 7.5916 113.2376 59.7731 60.9454 172.3929 94 I 4.4919 7.0533 116.6313 58.4640 39.1732 174.5540 95 P 4.4950 0.0000 0.0000 63.0805 32.4761 175.1612 96 F 5.6707 7.8102 114.8994 55.0763 41.9188 172.7542 97 I 4.8916 8.6640 119.7222 59.5817 40.5619 173.9631 98 E 5.0871 8.9226 127.5447 54.9167 31.3932 174.7606 99 V 4.8435 8.7697 126.3301 61.3745 35.2105 173.7789 100 H 4.9032 8.8381 123.4289 54.0778 32.1681 174.3166 101 L 3.9978 8.8710 123.6206 57.6067 42.4744 177.8572 102 S 4.6342 7.8786 111.0784 56.6806 64.9619 173.5311 103 N 4.5815 8.2665 119.3629 52.3095 37.8405 175.5287 104 V 3.6005 8.1434 120.3191 64.5177 31.8741 178.6224 105 H 4.0320 7.9213 115.1467 57.7427 28.5625 175.8905 106 A 4.4435 7.8620 120.5522 52.1841 19.4938 177.3854 107 R 4.6634 7.0687 115.8820 54.6775 32.2430 175.9740 108 E 3.9026 8.1403 118.1934 56.6023 30.2269 176.0703 109 P 3.5372 0.0000 0.0000 65.4880 31.4792 178.5328 110 F 4.3587 7.6657 111.1133 58.7253 37.9183 175.8312 111 R 3.7789 7.1180 119.4769 56.6550 30.1712 176.7980 112 H 4.4791 7.9824 115.0831 57.0356 28.9954 174.6162 113 H 4.8615 8.0457 119.8898 54.0140 31.7316 172.6350 114 S 4.9317 7.8991 119.6665 56.8805 64.9156 173.0300 115 Y 4.5948 8.9229 124.2391 58.4396 38.1876 175.9321 116 L 4.8371 8.1911 120.8754 55.8979 44.3000 178.7244 117 S 4.2318 8.4844 114.7305 61.7831 62.7647 176.3595 118 D 4.4145 8.1497 117.1477 55.2908 39.3476 177.0127 119 V 4.2130 7.7124 111.0855 60.8376 32.5032 175.6381 120 A 2.8570 7.2715 123.2829 50.7021 19.2555 177.8467 121 K 3.9849 8.2753 122.5543 59.4705 32.9849 176.8329 122 G 4.0237 7.3382 104.5038 45.5805 0.0000 172.0763 123 V 5.1335 8.0919 118.6413 61.1035 34.9543 174.3384 124 I 4.7202 8.7695 127.6501 59.5699 40.2663 174.1894 125 C 5.1127 8.7391 121.4499 57.7239 32.0721 174.6268 126 G 3.9419 9.2165 111.1042 45.5079 0.0000 173.5428 127 L 4.4762 7.7224 118.0977 53.8373 42.5160 178.5884 128 G 3.8002 8.0904 108.8185 45.7903 0.0000 174.9338 129 A 4.2694 8.4943 119.1012 55.0398 18.3682 179.9944 130 K 3.8544 8.1274 116.8248 59.1879 31.9964 179.2695 131 G 3.6542 7.9870 106.3477 47.9903 0.0000 175.3871 132 Y 4.1899 7.8468 118.9053 60.8409 37.8777 178.0077 133 D 4.3582 7.9116 119.3932 57.7541 40.9573 178.3878 134 Y 4.3976 7.4758 116.8611 61.0878 37.7659 178.4626 135 A 4.1128 8.1882 121.8287 55.0318 18.4846 179.5101 136 L 3.8668 8.2437 119.0459 58.2416 42.1838 178.6165 137 D 4.2784 8.2361 118.0652 57.3228 41.1845 178.0921 138 F 3.8107 8.4983 120.9891 60.9535 39.4162 176.7915 139 A 2.6187 7.9661 120.5958 54.9841 18.0570 179.7025 140 I 3.0663 7.3841 118.2841 64.2538 36.9238 178.8729 141 S 3.9697 7.6940 115.0961 61.3274 62.4462 176.5203 142 E 3.7931 7.3997 121.4436 59.1188 29.2934 178.9680 143 L 4.2002 7.6496 117.9945 57.6489 41.9996 179.2470 144 Q 4.2661 8.2137 118.4517 58.6341 28.3696 178.1699 145 K 4.2558 7.5146 115.7318 56.6950 31.8019 177.1373 146 I 4.1974 7.5833 119.2531 61.0836 37.6995 175.0143 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 M 8.30 4.32 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 2 K 8.35 4.30 0.00 2.15 1.93 0.00 1.99 0.00 0.00 1.97 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.61 1.54 7.81 3 K 10.43 5.20 0.00 1.82 1.80 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.43 7.81 4 I 8.93 5.15 1.96 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 1.10 0.00 0.00 5 L 9.03 5.17 0.00 1.79 1.57 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.18 5.21 0.00 1.88 1.78 1.01 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.23 5.53 0.00 1.68 1.63 0.95 0.58 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 8 N 9.15 5.38 0.00 2.61 2.68 0.00 0.00 6.60 6.91 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 9 G 8.97 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 0.00 0.00 0.00 10 P 0.00 4.31 0.00 1.89 1.79 0.00 3.75 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.44 0.00 11 N 9.52 4.50 0.00 2.88 2.99 0.00 0.00 6.92 6.58 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 12 L 7.49 4.11 0.00 1.82 1.73 1.19 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.02 4.41 0.00 2.78 3.10 0.00 0.00 6.06 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 14 M 8.02 4.32 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 15 L 7.43 3.97 0.00 1.67 1.75 0.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.75 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 0.00 0.00 0.00 17 K 7.23 3.45 0.00 1.81 1.64 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.39 7.81 18 R 8.71 3.94 0.00 1.91 1.93 0.00 3.28 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 19 E 8.64 3.72 0.00 2.06 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 2.25 2.27 0.00 20 P 0.00 4.35 0.00 1.89 1.99 0.00 3.51 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.29 0.00 21 H 7.92 4.84 0.00 3.16 3.29 0.00 5.67 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.39 4.37 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.47 0.99 0.00 0.00 23 Y 7.86 4.52 0.00 2.85 2.90 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 24 G 8.64 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 25 S 7.75 4.58 0.00 3.90 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 26 Q 8.00 4.60 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.67 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 27 T 8.45 4.65 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 1.14 0.00 0.00 28 L 8.15 3.90 0.00 1.88 1.62 0.78 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.96 4.11 0.00 3.87 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 30 D 8.01 4.32 0.00 2.85 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.39 3.63 1.80 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 1.47 0.67 0.52 0.00 0.00 32 E 8.14 3.59 0.00 1.52 1.12 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 1.83 2.08 0.00 33 Q 7.87 3.92 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 34 H 8.20 4.09 0.00 3.25 3.50 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 35 L 7.98 3.91 0.00 1.67 1.69 0.75 0.87 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 36 Q 8.21 4.02 0.00 2.42 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.75 0.00 37 Q 8.28 4.04 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 38 S 8.19 4.12 0.00 3.93 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 39 A 8.26 3.91 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.38 0.00 2.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 41 A 8.08 4.13 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 42 Q 7.47 4.54 0.00 2.23 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.09 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 43 G 8.20 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 44 Y 8.16 4.74 0.00 3.03 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 45 E 8.80 4.74 0.00 2.11 1.85 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 2.27 2.26 0.00 46 L 8.48 5.28 0.00 1.72 1.58 0.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 D 9.13 5.10 0.00 2.64 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 48 Y 7.48 5.53 0.00 2.90 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 49 F 9.03 5.04 0.00 3.14 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 50 Q 7.65 5.36 0.00 1.92 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.51 0.00 0.00 0.00 0.00 0.00 2.34 2.05 0.00 51 A 8.27 4.46 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 52 N 8.82 4.76 0.00 2.72 2.82 0.00 0.00 6.64 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 53 G 7.69 4.52 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 0.00 0.00 0.00 54 E 8.59 3.79 0.00 1.80 1.78 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 1.69 1.47 0.00 55 E 8.11 3.86 0.00 2.01 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 2.38 2.39 0.00 56 S 8.10 4.20 0.00 4.08 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 0.00 57 L 7.94 4.26 0.00 1.77 1.81 1.22 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.23 3.61 1.83 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 1.40 0.69 0.63 0.00 0.00 59 N 8.31 4.19 0.00 2.85 2.79 0.00 0.00 6.67 8.29 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 60 R 7.37 3.92 0.00 0.86 1.81 0.00 2.95 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.36 0.00 61 I 7.72 3.84 1.93 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 1.48 0.88 0.92 0.00 0.00 62 H 8.39 4.29 0.00 3.27 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.19 4.10 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 64 A 7.78 4.55 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 65 F 7.38 4.41 0.00 2.97 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.71 3.46 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 1.30 1.16 0.00 67 N 8.19 4.97 0.00 2.89 2.94 0.00 0.00 6.76 7.26 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 68 T 7.86 4.70 4.40 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 1.35 0.00 0.00 69 D 8.86 4.88 0.00 2.75 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 70 F 7.90 4.86 0.00 3.14 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 71 I 8.33 5.25 1.94 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 1.30 0.95 0.97 0.00 0.00 72 I 9.05 5.22 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.15 1.18 0.00 0.00 73 I 9.13 5.15 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.97 0.95 0.00 0.00 74 N 9.53 5.49 0.00 2.94 3.08 0.00 0.00 6.84 7.47 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 75 P 0.00 4.55 0.00 2.41 2.37 0.00 3.92 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 76 G 8.55 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 77 A 8.41 4.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 7.65 4.96 0.00 3.26 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 79 T 8.27 3.95 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 1.28 0.00 0.00 80 H 8.36 4.97 0.00 3.35 3.60 0.00 5.55 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 81 T 8.03 4.67 4.37 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 1.37 0.00 0.00 82 S 8.43 4.36 0.00 3.60 3.87 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 83 V 7.64 3.27 1.77 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 0.88 0.00 0.00 -0.03 0.00 0.00 84 A 7.66 3.87 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 85 I 7.80 3.62 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.64 0.85 0.00 0.00 86 R 7.58 3.85 0.00 2.06 2.12 0.00 3.30 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 87 D 8.31 4.37 0.00 2.78 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 88 A 7.79 3.97 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 89 L 7.91 3.88 0.00 1.68 1.48 -0.07 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.14 4.19 0.00 1.85 1.73 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.94 3.97 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 92 V 7.46 3.74 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.06 0.00 0.00 93 S 7.59 3.78 0.00 4.15 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 94 I 7.05 4.49 1.92 0.00 0.00 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 1.43 0.91 0.92 0.00 0.00 95 P 0.00 4.49 0.00 1.72 2.10 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.01 0.00 96 F 7.81 5.67 0.00 3.12 2.99 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 97 I 8.66 4.89 2.14 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.20 1.00 0.00 0.00 98 E 8.92 5.09 0.00 2.29 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 2.13 2.28 0.00 99 V 8.77 4.84 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 0.34 0.00 0.00 0.89 0.00 0.00 100 H 8.84 4.90 0.00 3.04 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.87 4.00 0.00 1.61 1.72 1.00 0.89 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 0.00 102 S 7.88 4.63 0.00 3.96 3.87 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 0.00 103 N 8.27 4.58 0.00 2.74 2.76 0.00 0.00 6.87 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 0.00 104 V 8.14 3.60 2.15 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 0.62 0.00 0.00 0.61 0.00 0.00 105 H 7.92 4.03 0.00 3.25 3.22 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.86 4.44 1.25 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 0.00 107 R 7.07 4.66 0.00 1.80 1.73 0.00 3.14 0.00 0.00 3.15 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 108 E 8.14 3.90 0.00 1.16 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 2.34 2.25 0.00 109 P 0.00 3.54 0.00 2.10 2.01 0.00 3.47 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 2.06 1.98 0.00 110 F 7.67 4.36 0.00 3.02 3.16 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 0.00 111 R 7.12 3.78 0.00 1.64 1.80 0.00 2.89 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.00 112 H 7.98 4.48 0.00 3.20 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.05 4.86 0.00 3.10 3.09 0.00 5.61 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 0.00 114 S 7.90 4.93 0.00 3.82 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 0.00 115 Y 8.92 4.59 0.00 3.10 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.19 4.84 0.00 1.99 2.01 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.48 4.23 0.00 3.88 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 0.00 118 D 8.15 4.41 0.00 2.80 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 0.00 119 V 7.71 4.21 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 0.77 0.00 0.00 1.25 0.00 0.00 120 A 7.27 2.86 0.99 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 0.00 0.00 121 K 8.28 3.98 0.00 1.64 1.94 0.00 1.77 0.00 0.00 1.82 0.00 0.00 3.57 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.83 1.44 7.81 122 G 7.34 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 0.00 0.00 0.00 123 V 8.09 5.13 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 0.95 0.00 0.00 0.97 0.00 0.00 124 I 8.77 4.72 1.85 0.00 0.00 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 1.27 0.52 0.97 0.00 0.00 125 C 8.74 5.11 0.00 2.92 2.89 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 0.00 0.00 0.00 126 G 9.22 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 0.00 0.00 0.00 127 L 7.72 4.48 0.00 1.72 1.81 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.09 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 0.00 129 A 8.49 4.27 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 0.00 130 K 8.13 3.85 0.00 1.88 1.40 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.45 7.81 131 G 7.99 3.65 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 0.00 0.00 0.00 132 Y 7.85 4.19 0.00 3.15 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 0.00 133 D 7.91 4.36 0.00 2.49 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 7.48 4.40 0.00 3.04 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 0.00 135 A 8.19 4.11 1.52 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 0.00 0.00 136 L 8.24 3.87 0.00 1.88 1.88 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.24 4.28 0.00 2.83 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.50 3.81 0.00 3.29 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.97 2.62 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.38 3.07 1.71 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.19 0.60 0.00 0.00 141 S 7.69 3.97 0.00 3.82 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 0.00 142 E 7.40 3.79 0.00 1.89 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 1.75 2.62 0.00 143 L 7.65 4.20 0.00 1.74 1.89 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 144 Q 8.21 4.27 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.02 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 145 K 7.51 4.26 0.00 1.77 1.81 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.65 7.81 146 I 7.58 4.20 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.67 1.01 0.00 0.00