NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5033 8.1933 115.2938 57.8048 63.9489 174.1113 9 L 4.1203 8.8761 128.2773 57.7597 41.4677 176.2457 10 E 4.0440 8.5389 118.1889 59.6119 29.7748 178.7260 11 S 4.0110 7.7736 112.9888 61.3888 62.3580 176.2754 12 W 4.3233 8.6460 121.7293 59.8757 28.9689 178.3205 13 L 3.5952 8.3476 120.2216 58.1265 40.9436 178.7588 14 N 4.2911 8.5077 116.8323 56.0939 38.1645 177.5481 15 K 3.7670 7.4966 118.9524 58.8825 32.2289 178.7218 16 A 4.3074 7.8471 119.2395 53.5268 18.1662 177.8219 17 T 4.1645 7.4477 105.5457 60.3170 70.1046 173.0514 18 N 4.4129 7.6610 120.9934 53.7927 38.9642 173.8365 19 P 4.3609 0.0000 0.0000 64.8158 31.5602 177.0952 20 S 4.6145 7.8834 110.8821 58.2520 63.8827 174.2272 21 N 4.4266 8.1292 119.8317 53.9545 38.6991 175.4302 22 R 4.1250 8.8278 119.4526 58.9277 30.0109 176.0535 23 Q 4.8127 7.7358 113.5862 54.9103 30.8343 173.3007 24 E 3.9823 9.2035 118.3575 57.1815 29.9661 177.4696 25 D 4.9222 8.3002 123.4470 51.9707 40.8095 176.7421 26 W 4.0896 8.6059 124.3921 58.8808 29.1449 177.3144 27 E 3.9306 8.0935 119.5252 59.3906 29.0453 178.0495 28 Y 4.7811 7.8059 116.7356 60.7932 38.0506 177.9700 29 I 3.5934 7.6653 120.3438 64.4805 37.1816 178.3048 30 I 3.7583 7.9700 120.6432 64.2949 36.9168 178.5593 31 G 2.1043 7.6433 106.5020 47.2383 0.0000 175.3805 32 F 3.8276 7.8637 122.9568 61.1336 39.5539 176.9955 33 C 3.8229 7.7832 116.3044 62.8159 27.6310 175.9288 34 D 4.1829 7.7871 119.9428 57.0346 40.6011 178.2439 35 Q 4.0098 7.6666 120.0671 59.2107 29.0776 178.1147 36 I 3.4783 7.0995 120.7221 64.7809 37.3180 178.1873 37 N 4.3279 7.8571 116.1049 55.5870 38.0784 176.7421 38 K 4.2912 7.8063 117.8167 55.8407 33.2156 176.2607 39 E 4.7184 7.3208 119.7206 53.8992 31.9493 176.8895 40 L 3.9198 8.6198 124.3690 57.7358 42.5611 177.5044 41 E 4.6357 8.0647 115.6159 56.0513 30.0877 177.3926 42 G 3.7952 7.8466 107.9134 47.7910 0.0000 174.0529 43 P 4.3827 0.0000 0.0000 65.1849 31.6224 178.6013 44 Q 3.9146 7.9794 115.9462 59.1946 28.6388 179.1438 45 I 3.8368 7.8855 120.3701 64.1333 37.0606 178.2453 46 A 4.2652 8.1756 121.6669 55.6351 18.2367 180.1476 47 V 3.2466 7.7732 110.6886 64.5034 31.5586 179.1939 48 R 4.0674 7.7328 116.8372 59.0632 29.9412 178.9538 49 L 4.0676 8.1822 118.9098 57.8811 41.7096 179.5677 50 L 4.0018 8.9020 119.2354 57.7721 41.3858 179.2269 51 A 4.1347 8.3896 119.8518 55.6948 18.4358 178.8683 52 H 4.2816 8.2384 116.0684 59.4821 30.0947 177.7028 53 K 3.9194 8.0275 120.2868 59.4684 31.6417 179.4241 54 I 3.8828 8.2034 119.3934 63.5069 37.0100 177.3382 55 Q 4.4040 7.2979 117.2966 54.6655 29.1384 175.6846 56 S 4.2094 7.2874 115.6316 57.7179 62.8586 172.7971 57 P 4.3347 0.0000 0.0000 64.6731 31.5222 176.8724 58 Q 4.2910 7.8787 117.9304 54.3540 27.7463 175.8209 59 E 3.9314 8.9425 124.2482 59.3477 29.5527 178.4988 60 W 4.9303 8.3657 127.1869 60.2332 30.8536 177.3285 61 E 3.9411 8.7513 121.1439 58.2485 29.1174 178.4802 62 A 4.0992 7.8249 120.3895 55.0396 18.6322 179.3078 63 L 3.9602 8.4681 117.8432 58.2904 41.6837 179.9540 64 Q 3.6378 7.3817 117.4269 58.4827 28.3599 178.6090 65 A 3.8355 7.5756 121.6820 55.0302 18.3320 179.7002 66 L 4.0333 7.9859 117.5608 58.0443 41.6307 179.7535 67 T 3.8451 7.6749 115.6258 66.6667 68.3518 176.5345 68 V 3.3872 7.7578 120.2338 65.9781 31.4527 177.5950 69 L 4.0728 8.2325 120.1834 58.3095 41.4171 178.4477 70 E 4.1432 8.7695 119.2959 59.5216 29.5099 178.7420 71 A 4.1723 8.2167 120.7354 55.3885 18.3727 179.3756 72 C 3.7132 8.3597 115.5966 63.0912 27.7998 176.2508 73 M 4.2431 7.8855 119.3936 58.1758 31.5732 178.4189 74 K 4.2541 7.5858 116.5703 58.0023 32.5956 177.9180 75 N 4.8442 8.0916 114.2840 53.0148 39.5671 175.1062 76 C 5.0321 7.4282 117.3004 57.7176 29.1221 175.2016 77 G 3.6357 8.0108 109.5107 45.8506 0.0000 173.7399 78 R 3.8116 8.4733 116.2248 59.6757 29.4607 178.8841 79 R 3.9167 7.9972 115.1516 59.5303 29.1690 178.3420 80 F 4.0294 8.0908 120.7227 60.9916 39.2994 177.1416 81 H 4.0524 7.8825 115.5733 58.8171 28.3286 177.3280 82 N 4.2021 8.4368 117.7093 56.0909 38.3310 176.9744 83 E 3.9435 6.9999 119.3787 59.0528 29.7632 179.0004 84 V 3.3167 7.0618 118.2871 65.3837 31.1656 177.6512 85 G 4.0999 7.6724 103.6405 43.6390 0.0000 172.9776 86 K 4.4330 7.1568 120.7777 54.0263 34.3909 177.6552 87 F 4.6322 8.2572 121.0780 60.5545 38.5115 177.7664 88 R 3.9513 8.1763 117.5720 59.0906 30.1785 177.3594 89 F 4.6136 7.9534 119.1237 60.5610 40.0081 177.4674 90 L 3.9564 8.4755 118.9903 57.9394 41.4003 179.2865 91 N 4.2964 8.8314 116.7676 56.3251 38.2161 177.2537 92 E 3.9314 7.7760 118.6663 58.8334 29.6983 178.8587 93 L 4.1012 7.3388 118.7097 57.3030 42.0676 178.8944 94 I 3.6760 7.7735 119.8051 64.3616 36.9655 178.6169 95 K 3.5257 7.8667 119.2876 59.1311 31.5476 179.5173 96 V 3.6852 7.5334 117.8064 64.9824 31.5014 176.9002 97 V 4.2373 7.4554 109.2651 61.3619 33.3945 175.9941 98 S 4.5237 8.0269 117.4177 57.1689 63.5008 173.7079 99 P 4.3057 0.0000 0.0000 65.4407 31.3221 178.6488 100 K 3.9835 8.1290 116.1585 58.2785 33.7777 176.6729 101 Y 4.4898 7.7989 111.9102 58.3327 37.9339 177.5246 102 L 4.3024 6.6889 135.0000 57.3904 42.9737 179.5157 103 G 4.2007 8.3529 108.5779 48.7690 0.0000 175.9079 104 D 4.4553 8.1149 119.5480 55.8403 41.0067 177.5265 105 R 4.5461 8.6430 117.4121 55.4713 30.5034 175.4583 106 V 4.3979 7.3636 117.9977 60.3670 33.6829 176.2718 107 S 4.2831 8.5894 121.7792 58.9430 64.5672 175.2694 108 E 3.9979 8.6969 123.0628 58.9788 29.5012 179.1634 109 K 3.9312 7.9694 119.6532 59.3664 32.4078 178.8282 110 V 3.5826 7.7784 118.4747 66.0644 31.5265 178.0902 111 K 3.9770 8.0013 118.1914 59.8069 31.7921 179.4509 112 T 3.8720 8.1410 116.1181 66.5049 68.3097 176.6528 113 K 3.9270 8.0439 121.4956 59.2587 32.1404 179.0499 114 V 3.4853 7.8684 118.5517 66.1101 31.4112 178.0922 115 I 3.7105 7.8235 119.4933 64.1880 36.8346 177.7454 116 E 3.9051 8.2643 120.2775 59.5019 29.3306 179.0205 117 L 3.3862 7.9340 118.9242 57.3921 41.3322 179.3006 118 L 3.6431 7.1722 117.5999 57.9598 42.0238 178.6802 119 Y 3.5919 7.9784 119.3384 60.6746 38.8045 177.9304 120 S 3.9049 8.0475 114.1932 61.3934 62.2921 176.2655 121 W 4.4949 8.0453 121.8113 59.5479 28.6079 178.4458 122 T 4.0366 7.5598 108.5490 64.0762 68.3047 175.7440 123 M 4.1418 7.7108 119.7779 56.5171 32.8404 177.1430 124 A 4.5732 7.7048 119.3060 51.9115 20.7850 177.0891 125 L 4.7686 7.8988 117.7613 50.8947 41.9428 175.1637 126 P 4.2295 0.0000 0.0000 65.4046 31.6376 177.6752 127 E 4.2282 8.1741 113.0506 56.9042 29.6831 175.8461 128 E 4.6194 7.7207 122.0945 54.4131 28.8629 175.8457 129 A 4.0337 7.9421 125.0908 54.6008 18.8637 179.2815 130 K 3.8476 7.9093 116.4391 59.3382 31.8563 179.5154 131 I 3.8696 7.4784 120.3152 64.2694 37.0793 178.5009 132 K 4.0310 8.0490 118.8867 59.6042 31.9383 178.9026 133 D 4.5463 8.5242 119.1040 57.4935 40.5468 178.8356 134 A 4.1753 8.3534 120.4733 55.1106 18.5598 178.8860 135 Y 4.2086 8.5154 118.4241 61.3617 39.0481 177.7039 136 H 4.2228 8.8848 117.4813 59.0880 28.8498 177.5079 137 M 4.0262 7.9847 119.6982 58.6359 32.1272 178.3089 138 L 3.9928 7.6594 119.0318 57.4530 41.7772 179.7752 139 K 4.3539 7.7971 119.8019 58.6165 32.0368 179.0571 140 R 4.1299 7.7388 113.9638 57.9498 29.6893 177.5853 141 Q 4.3794 7.8314 117.2349 55.5620 29.3736 176.3845 142 G 3.9977 7.8397 108.7517 45.3160 0.0000 174.9976 143 I 3.6761 7.7239 119.7049 63.6001 37.3407 176.1528 144 V 4.2052 7.6389 121.4334 60.8982 32.3707 176.0400 145 Q 3.9307 8.7748 127.0900 58.4858 28.8255 176.6022 146 S 4.6067 7.4227 108.6232 56.2235 66.0010 173.2201 147 D 4.2273 8.8007 120.7164 53.4765 40.7899 175.1810 148 P 4.5491 0.0000 0.0000 61.0274 32.6582 174.1097 149 P 4.5626 0.0000 0.0000 62.6664 32.1012 175.4925 150 I 4.7565 7.8425 112.1969 58.2503 40.7890 173.1185 151 P 4.4146 0.0000 0.0000 63.1434 31.7000 176.8002 152 V 4.4120 8.0640 114.4534 60.1704 35.4921 173.6332 153 D 5.0339 8.3713 123.1489 51.2983 42.3505 176.2306 154 R 4.2636 8.5777 115.8072 57.6406 29.7491 177.3977 155 T 4.3609 8.4773 108.2285 61.3314 69.8447 174.4952 156 L 4.2042 7.7181 129.0883 55.2871 42.0259 175.6870 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 8 S 8.19 4.50 0.00 3.86 3.76 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 9 L 8.88 4.12 0.00 1.95 1.94 0.93 0.44 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 10 E 8.54 4.04 0.00 2.09 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 0.00 2.44 2.50 0.00 11 S 7.77 4.01 0.00 3.73 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 12 W 8.65 4.32 0.00 3.88 3.39 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 13 L 8.35 3.60 0.00 1.39 1.69 0.20 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.51 4.29 0.00 2.66 2.77 0.00 0.00 7.05 7.16 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 15 K 7.50 3.77 0.00 1.18 0.74 0.00 1.16 0.00 0.00 1.00 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.11 1.36 7.81 16 A 7.85 4.31 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 17 T 7.45 4.16 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 1.00 0.00 0.00 18 N 7.66 4.41 0.00 2.91 2.90 0.00 0.00 7.19 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 19 P 0.00 4.36 0.00 2.12 2.17 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 20 S 7.88 4.61 0.00 4.02 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 21 N 8.13 4.43 0.00 2.99 3.24 0.00 0.00 6.97 8.01 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 22 R 8.83 4.12 0.00 1.96 2.12 0.00 3.14 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 23 Q 7.74 4.81 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 24 E 9.20 3.98 0.00 2.17 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 0.00 2.52 2.67 0.00 25 D 8.30 4.92 0.00 3.00 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 26 W 8.61 4.09 0.00 3.43 3.36 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 27 E 8.09 3.93 0.00 1.91 1.55 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 2.01 2.35 0.00 28 Y 7.81 4.78 0.00 3.27 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 29 I 7.67 3.59 1.52 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.44 0.49 0.00 0.00 30 I 7.97 3.76 1.92 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 1.91 1.10 0.85 0.00 0.00 31 G 7.64 2.10 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 32 F 7.86 3.83 0.00 3.18 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 33 C 7.78 3.82 0.00 3.07 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 34 D 7.79 4.18 0.00 2.45 2.56 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 35 Q 7.67 4.01 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 36 I 7.10 3.48 1.68 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.29 0.76 0.00 0.00 37 N 7.86 4.33 0.00 2.80 2.78 0.00 0.00 7.07 6.20 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 38 K 7.81 4.29 0.00 1.83 1.83 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.57 7.81 39 E 7.32 4.72 0.00 1.97 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 0.00 2.21 2.32 0.00 40 L 8.62 3.92 0.00 1.56 1.68 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.06 4.64 0.00 2.01 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 2.30 2.22 0.00 42 G 7.85 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 43 P 0.00 4.38 0.00 2.10 2.16 0.00 3.59 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 2.10 2.24 0.00 44 Q 7.98 3.91 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 45 I 7.89 3.84 1.90 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 1.47 0.74 0.97 0.00 0.00 46 A 8.18 4.27 1.57 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 0.00 0.00 47 V 7.77 3.25 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 -0.01 0.00 0.00 0.86 0.00 0.00 48 R 7.73 4.07 0.00 2.21 2.03 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 49 L 8.18 4.07 0.00 2.19 1.82 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.90 4.00 0.00 1.87 1.93 1.22 0.68 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 51 A 8.39 4.13 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 52 H 8.24 4.28 0.00 3.33 3.57 0.00 5.79 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 53 K 8.03 3.92 0.00 1.94 1.77 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.54 7.81 54 I 8.20 3.88 1.90 0.00 0.00 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 1.57 0.72 0.92 0.00 0.00 55 Q 7.30 4.40 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 56 S 7.29 4.21 0.00 3.83 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 57 P 0.00 4.33 0.00 2.09 2.10 0.00 3.72 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 2.03 2.10 0.00 58 Q 7.88 4.29 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 59 E 8.94 3.93 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 60 W 8.37 4.93 0.00 3.37 3.08 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 61 E 8.75 3.94 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 62 A 7.82 4.10 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 63 L 8.47 3.96 0.00 1.99 1.83 0.99 1.04 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 64 Q 7.38 3.64 0.00 1.48 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.38 1.16 0.00 65 A 7.58 3.84 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 66 L 7.99 4.03 0.00 1.91 1.77 0.94 0.60 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 67 T 7.67 3.85 4.21 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 1.00 0.00 0.00 68 V 7.76 3.39 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 0.87 0.00 0.00 0.67 0.00 0.00 69 L 8.23 4.07 0.00 2.05 2.12 1.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.77 4.14 0.00 2.30 2.30 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 2.47 2.51 0.00 71 A 8.22 4.17 1.47 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 72 C 8.36 3.71 0.00 2.50 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 73 M 7.89 4.24 0.00 2.07 2.45 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 3.17 0.00 74 K 7.59 4.25 0.00 1.94 1.89 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.69 1.70 7.81 75 N 8.09 4.84 0.00 2.62 2.73 0.00 0.00 6.84 8.06 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 76 C 7.43 5.03 0.00 2.59 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 77 G 8.01 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 0.00 0.00 0.00 78 R 8.47 3.81 0.00 1.85 1.91 0.00 3.18 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 79 R 8.00 3.92 0.00 2.03 2.15 0.00 2.97 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 80 F 8.09 4.03 0.00 3.15 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 81 H 7.88 4.05 0.00 3.29 3.16 0.00 5.70 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 82 N 8.44 4.20 0.00 2.67 2.78 0.00 0.00 7.10 7.54 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 83 E 7.00 3.94 0.00 1.44 1.63 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 2.31 2.24 0.00 84 V 7.06 3.32 1.63 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 0.37 0.00 0.00 -0.01 0.00 0.00 85 G 7.67 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 86 K 7.16 4.43 0.00 1.84 1.67 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.25 1.47 7.81 87 F 8.26 4.63 0.00 3.11 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 88 R 8.18 3.95 0.00 1.86 2.04 0.00 3.26 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 89 F 7.95 4.61 0.00 3.07 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 90 L 8.48 3.96 0.00 1.90 1.86 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.83 4.30 0.00 2.73 2.79 0.00 0.00 6.98 7.97 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 92 E 7.78 3.93 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 93 L 7.34 4.10 0.00 1.73 1.63 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.77 3.68 1.88 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 1.51 1.12 0.80 0.00 0.00 95 K 7.87 3.53 0.00 1.82 1.71 0.00 1.73 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.56 1.28 7.81 96 V 7.53 3.69 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 0.82 0.00 0.00 0.97 0.00 0.00 97 V 7.46 4.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.01 0.00 0.00 98 S 8.03 4.52 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 99 P 0.00 4.31 0.00 2.18 2.25 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 100 K 8.13 3.98 0.00 1.49 1.48 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.41 7.81 101 Y 7.80 4.49 0.00 3.19 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 6.69 4.30 0.00 1.82 1.74 0.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.35 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 0.00 0.00 0.00 0.00 104 D 8.11 4.46 0.00 2.69 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 0.00 105 R 8.64 4.55 0.00 1.82 1.92 0.00 3.12 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 106 V 7.36 4.40 2.10 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 0.83 0.00 0.00 1.02 0.00 0.00 107 S 8.59 4.28 0.00 4.09 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 0.00 108 E 8.70 4.00 0.00 2.11 1.99 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 2.38 2.43 0.00 109 K 7.97 3.93 0.00 1.89 1.82 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.54 7.81 110 V 7.78 3.58 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 0.99 0.00 0.00 0.97 0.00 0.00 111 K 8.00 3.98 0.00 1.87 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.66 7.81 112 T 8.14 3.87 4.44 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 1.22 0.00 0.00 113 K 8.04 3.93 0.00 1.92 1.97 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 114 V 7.87 3.49 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 1.01 0.00 0.00 1.00 0.00 0.00 115 I 7.82 3.71 1.88 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 1.62 0.84 1.01 0.00 0.00 116 E 8.26 3.91 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 117 L 7.93 3.39 0.00 1.21 0.22 1.01 0.46 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 0.00 118 L 7.17 3.64 0.00 1.82 1.80 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 7.98 3.59 0.00 2.75 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 0.00 120 S 8.05 3.90 0.00 3.88 3.74 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 0.00 0.00 0.00 0.00 121 W 8.05 4.49 0.00 3.58 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 0.00 122 T 7.56 4.04 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 1.14 0.00 0.00 123 M 7.71 4.14 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 124 A 7.70 4.57 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 0.00 125 L 7.90 4.77 0.00 1.69 1.62 0.55 0.67 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 0.00 126 P 0.00 4.23 0.00 2.02 2.10 0.00 3.65 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 2.01 2.06 0.00 127 E 8.17 4.23 0.00 2.16 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 0.00 2.34 2.33 0.00 128 E 7.72 4.62 0.00 2.08 1.81 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 2.06 2.16 0.00 129 A 7.94 4.03 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 0.00 130 K 7.91 3.85 0.00 1.60 0.74 0.00 1.45 0.00 0.00 0.86 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.96 1.26 7.81 131 I 7.48 3.87 2.08 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 1.64 0.69 1.20 0.00 0.00 132 K 8.05 4.03 0.00 1.99 1.83 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.55 7.81 133 D 8.52 4.55 0.00 3.17 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 0.00 134 A 8.35 4.18 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Y 8.52 4.21 0.00 3.21 3.18 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 0.00 136 H 8.88 4.22 0.00 3.31 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 M 7.98 4.03 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 138 L 7.66 3.99 0.00 1.60 1.59 0.94 1.03 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 0.00 139 K 7.80 4.35 0.00 1.81 1.72 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.09 0.92 7.81 140 R 7.74 4.13 0.00 1.97 2.03 0.00 3.04 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.64 0.00 141 Q 7.83 4.38 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.57 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 142 G 7.84 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 0.00 0.00 0.00 143 I 7.72 3.68 1.97 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 0.45 0.89 0.00 0.00 144 V 7.64 4.21 1.82 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 0.92 0.00 0.00 0.83 0.00 0.00 145 Q 8.77 3.93 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 146 S 7.42 4.61 0.00 3.88 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 0.00 147 D 8.80 4.23 0.00 2.55 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 0.00 0.00 0.00 148 P 0.00 4.55 0.00 2.14 1.98 0.00 2.88 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 149 P 0.00 4.56 0.00 2.22 2.10 0.00 3.69 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 1.99 1.95 0.00 150 I 7.84 4.76 1.90 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 1.52 0.76 1.12 0.00 0.00 151 P 0.00 4.41 0.00 2.09 2.06 0.00 3.68 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 2.19 2.14 0.00 152 V 8.06 4.41 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 0.77 0.00 0.00 0.94 0.00 0.00 153 D 8.37 5.03 0.00 2.85 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 0.00 154 R 8.58 4.26 0.00 1.82 2.01 0.00 3.18 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 155 T 8.48 4.36 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 156 L 7.72 4.20 0.00 1.59 1.57 0.99 1.27 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