NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3855 8.2893 120.3493 55.5022 32.0895 173.8963 2 N 4.5023 8.0492 120.7135 50.2959 37.9443 171.1156 3 E 3.9688 9.3432 125.3628 57.0838 29.3469 178.3770 4 L 4.4178 8.1391 124.6471 53.3249 40.6174 175.9865 5 E 4.5197 7.9930 123.1890 53.5496 32.0553 175.8241 6 G 3.7868 8.1404 112.5571 45.2360 0.0000 172.1861 7 Y 4.7506 8.7524 117.2081 56.0962 40.2072 176.8133 8 V 4.0699 8.5837 123.7848 63.4979 32.5415 177.5823 9 T 4.2105 8.1689 117.3107 66.1392 68.7919 174.9704 10 K 4.4077 7.9568 119.9345 56.6326 32.6870 177.3659 11 A 4.2821 8.2567 123.5995 53.6351 18.8463 182.0888 12 Q 3.4407 7.8039 111.9780 57.9096 31.6313 180.1756 13 S 4.0834 8.0002 110.8318 60.0543 63.1888 174.3533 14 F 4.2347 8.6254 119.7577 56.5350 39.7929 174.5049 15 R 4.5689 8.3653 121.7871 54.7206 32.1550 174.3434 16 F 5.8204 8.9806 122.8922 54.7280 43.8907 173.5378 17 A 4.7115 8.3018 120.0621 50.5044 22.4486 175.0043 18 I 4.8163 8.8627 122.7505 59.4466 40.3833 174.9636 19 V 4.5784 8.7439 125.8441 61.1766 34.2812 174.6092 20 V 5.3020 8.8536 120.6801 58.3486 35.3016 174.6564 21 A 5.1172 8.4991 125.7635 51.2268 19.5569 177.8576 22 R 4.2630 9.5772 122.5635 58.7929 30.6105 176.8167 23 F 4.0667 8.2396 119.9943 59.7378 39.8116 174.1824 24 N 4.3281 8.4239 123.3522 54.4188 36.2901 176.0659 25 E 4.4988 8.0313 121.5539 59.3560 29.4023 177.6681 26 F 3.9945 8.3492 118.6729 60.9950 39.4515 176.4214 27 V 4.1294 8.5014 117.1666 65.0268 32.0761 177.5754 28 T 3.8536 8.0074 109.0823 65.0975 68.3078 175.3731 29 R 4.0510 8.5083 122.1813 59.3398 29.9609 178.1313 30 R 3.8110 7.9774 116.7499 59.3084 30.1450 178.1760 31 L 3.8408 8.2665 120.1843 58.6426 41.9354 178.7165 32 M 3.8669 8.6095 117.8163 58.8391 32.1704 177.6530 33 E 4.0591 8.7196 119.1187 59.6270 29.5587 179.8964 34 G 3.4867 8.3998 105.4638 47.6987 0.0000 175.3025 35 A 3.6567 7.8193 124.0469 54.8399 18.4732 178.8479 36 L 4.0737 8.2372 118.7211 58.6583 42.0069 178.2939 37 D 4.4001 8.5802 117.6686 58.1274 41.1183 178.7814 38 T 3.8852 8.0489 116.0192 66.9399 68.2178 176.0506 39 F 4.3232 7.5974 117.9726 60.7718 39.2462 177.4565 40 K 4.1790 8.1617 117.1807 59.6899 31.7616 179.0967 41 K 3.8355 8.5279 118.5454 59.2381 32.5563 176.8271 42 Y 4.3171 8.6494 117.4682 58.4367 38.7128 176.1150 43 S 3.7513 8.2331 111.3951 58.8292 63.4766 172.8187 44 V 3.9670 7.7755 120.2535 62.1231 31.7032 175.8072 45 N 4.7002 8.3199 120.7679 53.7642 40.4927 174.1226 46 E 4.4966 9.0320 126.3390 56.4783 30.7220 174.5912 47 D 4.2907 8.8168 113.8488 59.6801 40.1189 173.9164 48 I 3.5723 6.4957 109.3913 58.4773 39.4722 174.5232 49 D 4.6463 8.7562 124.4889 54.0336 42.2135 175.4079 50 V 4.6436 8.3645 116.4184 59.5478 34.0544 175.0351 51 V 4.2859 8.9068 126.7858 60.9391 33.3756 174.3723 52 W 5.2184 8.8594 128.1041 55.8844 30.3304 176.1719 53 V 4.7194 9.1436 118.0505 58.8696 34.9137 174.8896 54 P 4.3531 0.0000 0.0000 65.5139 32.0535 176.4024 55 G 4.5582 8.1902 108.3016 42.4111 0.0000 173.0876 56 A 3.9430 8.6703 122.8080 55.4006 18.3350 179.4138 57 Y 3.9226 8.3680 116.0434 61.2236 38.7078 178.1797 58 E 4.1014 8.6788 119.1961 59.4822 29.5252 179.3961 59 L 3.9704 7.7963 119.0923 58.7001 41.7403 179.0620 60 G 3.6844 7.8510 101.6566 49.3309 0.0000 175.6345 61 V 3.6560 7.6889 112.0669 63.8743 32.1222 178.5787 62 T 3.8382 7.7592 114.6498 66.6900 68.2727 176.2562 63 A 3.8905 8.6527 122.5380 55.6491 18.3868 179.3972 64 Q 3.8420 8.4755 118.1308 59.9888 29.2286 178.7600 65 A 4.0085 8.7905 122.0807 54.7262 18.0748 179.1172 66 L 4.1403 8.2181 117.8032 57.8435 42.3426 180.2423 67 G 3.8105 8.9146 105.6817 47.9819 0.0000 176.0639 68 K 4.1616 8.1730 120.3821 58.2682 32.3953 179.0132 69 S 4.3347 8.3851 114.3429 58.7582 62.6560 175.3020 70 G 3.9472 7.9872 109.4869 46.2444 0.0000 174.7799 71 K 3.7965 7.7873 119.2930 58.1681 32.2028 176.9016 72 Y 4.7841 7.3760 114.1945 56.5924 40.3574 174.9153 73 H 4.8245 9.1697 118.4584 57.4546 30.0703 175.7375 74 A 4.9426 7.8532 118.0105 50.7316 22.7154 175.0893 75 I 4.9615 8.8380 115.5300 58.9347 40.7738 174.6417 76 V 4.6261 8.8279 125.8439 60.0928 33.9184 174.1362 77 C 5.1314 9.1700 122.8735 57.8886 30.6340 172.7949 78 L 5.5370 8.0200 123.5668 52.2200 44.9343 175.8021 79 G 4.3231 8.0764 107.3005 46.2889 0.0000 171.9755 80 A 5.3052 8.5668 121.5228 50.5526 22.1197 176.2382 81 V 4.2805 9.3449 123.1682 59.9431 33.6079 175.2234 82 V 4.3266 8.4636 119.4785 60.5436 32.6073 177.7219 83 K 3.5593 8.4979 127.3441 56.7857 29.0619 176.9730 84 G 3.7863 8.5401 113.1883 47.2941 0.0000 171.5677 85 D 4.6206 7.8381 116.8548 54.6081 43.2098 177.7530 86 T 4.2796 8.4886 115.2895 61.3036 70.8106 176.0625 87 S 4.9745 8.5377 116.8726 60.0635 62.6262 175.2109 88 H 3.8878 7.9364 122.6793 60.1498 29.4406 175.3072 89 Y 4.1654 8.1674 120.4149 61.4284 38.5011 177.7197 90 D 4.1879 8.4733 118.1833 57.9982 41.0710 178.6577 91 A 3.8542 8.3232 120.2877 55.9068 18.2953 179.4819 92 V 3.6157 8.4064 115.7421 65.9780 31.6811 178.3136 93 V 3.5211 8.0556 118.0030 66.4484 31.2023 177.7305 94 N 4.2224 8.7731 116.1740 56.3065 38.3493 177.2047 95 S 3.9570 8.1957 116.0565 62.0868 63.0192 176.4342 96 A 3.9210 8.6430 123.8385 55.4247 18.0141 179.1251 97 S 4.2094 8.7893 110.5735 61.7897 62.4955 176.4830 98 S 4.1134 8.9059 116.2140 61.6190 62.0372 176.2090 99 G 3.6262 8.5194 108.4151 48.1718 0.0000 175.3811 100 V 3.5981 7.9470 121.1354 65.8451 31.4533 177.3810 101 L 3.9397 8.1762 119.9606 57.6129 41.8510 178.7457 102 S 4.0806 8.8030 114.8089 62.0172 63.0661 176.5471 103 A 4.0626 8.7177 123.3078 55.3864 18.0262 179.5181 104 G 4.2919 8.2782 103.0671 47.8197 0.0000 175.4889 105 L 4.0289 7.8187 120.0880 57.6100 41.8031 179.0756 106 N 4.5097 8.5382 115.4809 56.4123 38.6272 177.3977 107 S 4.3856 8.7091 114.4709 58.9603 63.3622 175.3530 108 G 3.9758 8.0238 109.3953 45.7117 0.0000 172.8554 109 V 4.5398 7.7638 120.0639 59.8490 34.2901 173.2199 110 P 4.4918 0.0000 0.0000 63.2564 32.3130 174.7757 111 C 5.2296 8.5842 122.2092 57.8913 30.7774 173.7883 112 V 3.7570 8.9260 125.7856 62.4904 32.3246 175.3395 113 F 4.4999 9.0053 131.5662 56.4682 37.9776 175.4759 114 G 4.1904 8.8040 118.5116 44.0552 0.0000 170.6312 115 V 4.8541 6.3718 116.9306 59.6199 34.5033 177.2897 116 L 4.4303 8.9941 125.6797 54.1596 42.9301 177.1856 117 T 5.3210 7.9561 112.5663 60.4011 68.2945 173.1882 118 C 4.2895 8.1860 119.2966 60.4766 30.1991 174.5004 119 D 4.5094 8.9951 120.1191 55.9874 39.5520 176.7933 120 N 4.7283 9.6969 116.5544 51.8931 39.4917 175.8346 121 M 3.9752 8.8182 119.5464 59.1853 32.1795 177.7731 122 D 4.3657 8.2218 117.2991 57.8073 41.0128 178.1559 123 Q 3.9950 8.7378 116.7892 59.0068 29.0098 178.6644 124 A 4.1624 7.7199 120.5636 55.5407 18.3568 179.4421 125 I 3.7680 8.0072 118.1330 65.1696 37.2141 178.3017 126 N 4.4234 8.1501 116.7795 56.1756 38.3981 177.5009 127 R 4.0586 8.6022 119.1927 57.5222 30.8300 176.8164 128 A 4.4764 7.5754 123.6185 51.5460 18.4072 177.5253 129 G 3.9299 9.0129 106.1306 45.9103 0.0000 174.1052 130 G 4.2263 7.8070 111.0392 44.1382 0.0000 175.5139 131 K 4.1495 8.2972 120.6772 58.1130 32.5922 177.2784 132 A 4.4709 7.9924 121.4689 51.8053 19.9960 178.4569 133 G 3.7111 8.6660 105.3165 45.2477 0.0000 172.7311 134 N 5.7701 8.0048 118.6476 49.8931 41.3272 175.5747 135 K 4.1310 8.1626 131.1831 58.9549 32.3119 177.9416 136 G 3.8273 8.2286 104.8933 48.1359 0.0000 174.8417 137 A 3.7739 8.4937 123.5243 54.5841 18.1611 179.2752 138 E 3.7346 8.0892 116.8733 59.8139 29.6681 179.8542 139 S 3.9981 8.6233 115.1336 61.5260 62.8631 176.4031 140 A 3.4645 7.5742 123.1216 54.9528 17.9450 179.0550 141 L 3.3665 7.4683 118.3951 58.6862 42.0188 179.4656 142 T 3.6952 7.9653 115.3791 66.3901 68.2827 176.0793 143 A 3.8956 8.0451 123.0381 55.9544 18.2466 179.0666 144 I 3.6109 7.5636 117.4676 64.7835 37.1299 177.7131 145 E 3.8266 8.4125 119.2600 59.9770 29.4448 179.5124 146 M 3.8317 8.4153 118.3221 58.4456 31.8000 178.0772 147 A 3.8585 7.8979 119.6511 55.3683 18.7705 178.9110 148 S 4.2300 7.9810 110.7050 61.5911 62.3960 176.2675 149 L 4.0145 8.4122 122.9188 58.6595 41.7792 179.0396 150 F 4.4298 8.8740 117.5550 59.2285 39.8649 174.7855 151 E 5.0867 7.8950 118.2611 52.8698 28.6789 173.7207 152 H 4.8171 7.8348 128.8647 56.7910 32.5571 174.6214 153 H 4.4767 9.0070 113.7142 57.2140 29.0801 175.1314 154 L 3.9408 7.3652 120.7907 53.2680 41.9583 173.9565 155 K 4.1243 7.5281 120.6361 56.8034 32.7067 175.9164 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 8.29 4.39 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 N 8.05 4.50 0.00 2.90 2.78 0.00 0.00 6.34 6.77 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 3 E 9.34 3.97 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 4 L 8.14 4.42 0.00 1.68 1.83 0.96 0.97 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 5 E 7.99 4.52 0.00 1.79 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 2.03 2.17 0.00 6 G 8.14 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.75 4.75 0.00 2.97 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.58 4.07 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 0.96 0.00 0.00 0.88 0.00 0.00 9 T 8.17 4.21 4.31 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 1.25 0.00 0.00 10 K 7.96 4.41 0.00 1.96 1.89 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.35 0.00 0.00 3.62 0.00 0.00 0.00 0.00 1.61 1.85 7.81 11 A 8.26 4.28 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 12 Q 7.80 3.44 0.00 2.32 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 13 S 8.00 4.08 0.00 3.62 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 14 F 8.63 4.23 0.00 2.66 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.37 4.57 0.00 1.83 1.64 0.00 3.11 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.77 0.00 16 F 8.98 5.82 0.00 2.49 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 17 A 8.30 4.71 0.20 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 18 I 8.86 4.82 1.75 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 1.18 0.92 0.74 0.00 0.00 19 V 8.74 4.58 1.98 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 0.92 0.00 0.00 0.85 0.00 0.00 20 V 8.85 5.30 1.73 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 0.59 0.00 0.00 -0.61 0.00 0.00 21 A 8.50 5.12 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 22 R 9.58 4.26 0.00 1.95 2.03 0.00 3.04 0.00 0.00 2.93 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.32 0.00 23 F 8.24 4.07 0.00 3.32 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 24 N 8.42 4.33 0.00 3.25 3.07 0.00 0.00 6.72 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 25 E 8.03 4.50 0.00 2.31 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 2.36 2.28 0.00 26 F 8.35 3.99 0.00 3.12 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 27 V 8.50 4.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.16 0.00 0.00 28 T 8.01 3.85 4.35 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 1.36 0.00 0.00 29 R 8.51 4.05 0.00 2.16 1.99 0.00 3.36 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 30 R 7.98 3.81 0.00 2.07 1.93 0.00 3.25 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 31 L 8.27 3.84 0.00 1.88 1.71 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 M 8.61 3.87 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.60 0.00 33 E 8.72 4.06 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 34 G 8.40 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.82 3.66 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 36 L 8.24 4.07 0.00 2.00 1.71 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.58 4.40 0.00 2.79 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 38 T 8.05 3.89 4.05 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 0.76 0.00 0.00 39 F 7.60 4.32 0.00 3.34 3.07 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 0.00 0.00 0.00 40 K 8.16 4.18 0.00 2.01 1.94 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.67 7.81 41 K 8.53 3.84 0.00 2.05 2.29 0.00 1.95 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.49 7.81 42 Y 8.65 4.32 0.00 3.32 3.07 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 0.00 0.00 0.00 43 S 8.23 3.75 0.00 4.13 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 44 V 7.78 3.97 2.40 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 0.88 0.00 0.00 1.30 0.00 0.00 45 N 8.32 4.70 0.00 2.75 2.75 0.00 0.00 6.93 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.03 4.50 0.00 2.05 1.84 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 2.14 2.24 0.00 47 D 8.82 4.29 0.00 2.79 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 48 I 6.50 3.57 1.72 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 1.41 1.54 0.55 0.00 0.00 49 D 8.76 4.65 0.00 2.61 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 50 V 8.36 4.64 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 0.61 0.00 0.00 0.91 0.00 0.00 51 V 8.91 4.29 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 0.98 0.00 0.00 0.86 0.00 0.00 52 W 8.86 5.22 0.00 3.25 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 53 V 9.14 4.72 2.17 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 0.80 0.00 0.00 1.12 0.00 0.00 54 P 0.00 4.35 0.00 2.21 2.38 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.05 0.00 55 G 8.19 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.67 3.94 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 57 Y 8.37 3.92 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.68 4.10 0.00 2.40 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 2.42 2.50 0.00 59 L 7.80 3.97 0.00 1.76 1.69 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.85 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 0.00 0.00 0.00 61 V 7.69 3.66 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 0.82 0.00 0.00 1.02 0.00 0.00 62 T 7.76 3.84 4.38 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 1.21 0.00 0.00 63 A 8.65 3.89 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.48 3.84 0.00 2.20 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 65 A 8.79 4.01 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 66 L 8.22 4.14 0.00 1.75 1.71 0.71 1.09 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 67 G 8.91 3.81 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 0.00 0.00 0.00 68 K 8.17 4.16 0.00 1.87 1.92 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 69 S 8.39 4.33 0.00 4.07 4.19 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 70 G 7.99 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 71 K 7.79 3.80 0.00 0.79 1.20 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.37 7.81 72 Y 7.38 4.78 0.00 2.94 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 73 H 9.17 4.82 0.00 2.84 3.46 0.00 5.89 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 74 A 7.85 4.94 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 75 I 8.84 4.96 1.79 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 1.28 1.23 0.77 0.00 0.00 76 V 8.83 4.63 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 0.96 0.00 0.00 0.83 0.00 0.00 77 C 9.17 5.13 0.00 2.68 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 78 L 8.02 5.54 0.00 1.39 1.40 0.79 0.63 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 79 G 8.08 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.57 5.31 1.26 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 81 V 9.34 4.28 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.87 0.00 0.00 82 V 8.46 4.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.06 0.00 0.00 83 K 8.50 3.56 0.00 0.79 1.34 0.00 0.89 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.08 0.64 7.81 84 G 8.54 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.84 4.62 0.00 2.63 2.41 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 86 T 8.49 4.28 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 87 S 8.54 4.97 0.00 4.27 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 0.00 88 H 7.94 3.89 0.00 3.27 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.17 4.17 0.00 3.11 3.09 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 90 D 8.47 4.19 0.00 2.91 2.74 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 91 A 8.32 3.85 1.28 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 0.00 0.00 0.00 92 V 8.41 3.62 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 0.95 0.00 0.00 1.02 0.00 0.00 93 V 8.06 3.52 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 0.82 0.00 0.00 0.14 0.00 0.00 94 N 8.77 4.22 0.00 2.84 2.78 0.00 0.00 7.07 8.02 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 95 S 8.20 3.96 0.00 3.74 3.06 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 0.00 0.00 0.00 96 A 8.64 3.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.79 4.21 0.00 3.69 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 98 S 8.91 4.11 0.00 3.81 3.97 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 99 G 8.52 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 0.00 100 V 7.95 3.60 2.44 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 1.09 0.00 0.00 0.98 0.00 0.00 101 L 8.18 3.94 0.00 1.85 1.72 0.88 0.78 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 0.00 102 S 8.80 4.08 0.00 3.98 3.93 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 0.00 103 A 8.72 4.06 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 0.00 104 G 8.28 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.82 4.03 0.00 1.80 1.76 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.54 4.51 0.00 2.69 2.90 0.00 0.00 7.19 7.53 0.00 0.00 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 S 8.71 4.39 0.00 4.02 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 G 8.02 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 0.00 0.00 0.00 109 V 7.76 4.54 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 1.07 0.00 0.00 1.05 0.00 0.00 110 P 0.00 4.49 0.00 1.95 1.74 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.39 0.00 111 C 8.58 5.23 0.00 2.95 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 0.00 112 V 8.93 3.76 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 0.73 0.00 0.00 0.88 0.00 0.00 113 F 9.01 4.50 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 0.00 114 G 8.80 4.19 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 0.00 0.00 0.00 115 V 6.37 4.85 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 -0.86 0.00 0.00 0.75 0.00 0.00 116 L 8.99 4.43 0.00 1.61 1.66 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.96 5.32 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 118 C 8.19 4.29 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 0.00 119 D 9.00 4.51 0.00 2.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 9.70 4.73 0.00 2.89 2.91 0.00 0.00 6.77 7.17 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 0.00 121 M 8.82 3.98 0.00 2.12 2.12 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 2.65 2.60 0.00 122 D 8.22 4.37 0.00 2.74 2.91 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 0.00 0.00 0.00 123 Q 8.74 4.00 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 124 A 7.72 4.16 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 8.01 3.77 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.44 1.03 0.00 0.00 126 N 8.15 4.42 0.00 3.01 2.87 0.00 0.00 7.03 7.61 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 0.00 127 R 8.60 4.06 0.00 1.90 1.98 0.00 3.28 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 128 A 7.58 4.48 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 0.00 129 G 9.01 3.93 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 0.00 0.00 0.00 130 G 7.81 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 0.00 0.00 0.00 0.00 131 K 8.30 4.15 0.00 1.83 1.94 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.39 7.81 132 A 7.99 4.47 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 0.00 133 G 8.67 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 0.00 0.00 0.00 134 N 8.00 5.77 0.00 2.72 2.60 0.00 0.00 6.78 6.81 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 0.00 135 K 8.16 4.13 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.36 7.81 136 G 8.23 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.49 3.77 1.21 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 0.00 0.00 138 E 8.09 3.73 0.00 2.12 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 2.26 2.44 0.00 139 S 8.62 4.00 0.00 3.84 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.57 3.46 0.35 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 0.00 141 L 7.47 3.37 0.00 1.43 1.64 0.71 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.97 3.70 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 1.12 0.00 0.00 143 A 8.05 3.90 1.22 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 0.00 0.00 144 I 7.56 3.61 1.93 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 0.92 0.00 0.00 145 E 8.41 3.83 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 146 M 8.42 3.83 0.00 1.65 2.06 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 147 A 7.90 3.86 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 0.00 0.00 0.00 0.00 0.00 148 S 7.98 4.23 0.00 3.81 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 0.00 149 L 8.41 4.01 0.00 1.85 2.03 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.87 4.43 0.00 3.42 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 0.00 151 E 7.89 5.09 0.00 2.25 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 0.00 2.40 2.37 0.00 152 H 7.83 4.82 0.00 3.37 3.67 0.00 5.71 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 0.00 153 H 9.01 4.48 0.00 3.33 3.71 0.00 5.96 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 0.00 154 L 7.37 3.94 0.00 1.74 1.63 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.53 4.12 0.00 1.82 1.69 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.40 7.81