NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8916 8.0393 120.4122 63.5108 32.5389 175.5827 2 H 4.3855 7.8988 116.5016 54.7154 28.5573 171.4448 3 L 4.7109 8.9131 126.8647 53.5545 45.4334 177.5494 4 T 4.5488 7.8249 116.5524 61.3904 70.1074 174.3940 5 P 4.1716 0.0000 0.0000 65.8474 31.3349 178.5250 6 V 4.3671 7.6122 106.8218 61.4636 31.6152 177.2310 7 E 4.2149 7.3751 120.6286 58.5087 29.5664 178.1842 8 K 3.7847 8.5116 119.6520 59.5919 32.4987 179.0056 9 S 4.0661 7.5690 113.9035 61.8120 62.7036 176.3811 10 A 4.0343 7.9695 124.6996 54.6963 18.0029 178.7952 11 V 3.3072 8.6849 117.7278 66.3384 31.1731 177.9587 12 T 3.8948 8.3256 116.4061 66.8992 68.8181 176.2005 13 A 4.1816 7.9976 122.0058 55.0666 18.3569 179.0157 14 L 3.7342 8.2590 119.0865 58.4732 41.9691 179.2021 15 W 4.3046 8.4370 126.8765 59.8399 30.7136 177.5189 16 G 3.9986 7.9515 105.0544 47.8176 0.0000 174.9023 17 K 4.2007 8.0948 119.0873 58.9804 32.6370 177.7159 18 V 3.2222 6.8924 116.5290 63.1429 31.8857 174.6614 19 N 4.5669 8.2711 124.8430 52.0095 39.5543 175.3152 20 V 3.4299 8.0967 126.0143 65.9775 31.9696 177.2158 21 D 4.4828 7.9030 115.6026 54.8052 39.8808 177.3911 22 E 4.1664 7.8334 121.2068 58.8546 29.7504 178.7243 23 V 3.8442 7.6752 112.0037 64.6713 31.1431 177.6703 24 G 3.7682 8.3070 105.2722 48.2672 0.0000 175.0632 25 G 3.7358 7.9749 108.7575 45.9028 0.0000 175.1024 26 E 3.8920 7.8339 120.8309 59.0635 29.5432 178.5548 27 A 3.9744 7.6945 120.7076 55.0327 18.3887 179.3760 28 L 4.1126 7.8628 118.4307 57.7051 40.6868 179.0739 29 G 3.5892 7.8932 106.8629 47.2683 0.0000 175.3737 30 R 3.8615 7.6863 120.6936 57.9087 30.1932 177.8632 31 L 3.8576 7.7155 119.9002 57.7923 42.1738 178.4600 32 L 4.0071 7.5052 118.9370 56.8661 41.2605 178.7818 33 V 3.8327 6.7772 115.5144 64.7573 32.4892 177.5188 34 V 3.5642 7.8634 117.0933 64.6974 32.3631 175.7111 35 Y 3.5603 6.9886 117.3255 54.1671 38.1116 174.0934 36 P 5.0434 0.0000 0.0000 63.2071 31.4590 177.5121 37 W 4.6508 7.1632 115.7103 57.0185 28.5713 176.8442 38 T 4.3878 7.5146 109.0967 62.2788 68.4964 176.0304 39 Q 4.0195 8.2944 124.2859 59.8793 28.7262 178.0236 40 R 4.4259 7.7334 117.7308 59.3040 29.9671 177.0218 41 F 4.4741 7.9568 114.9427 57.3711 39.4434 175.6420 42 F 4.9310 9.5042 118.9191 57.1246 40.1477 175.8510 43 E 4.4439 8.3907 115.4461 57.3231 29.3683 178.1413 44 S 4.5610 7.8770 116.1829 60.6216 63.3325 175.6232 45 F 4.4197 7.8113 117.8850 59.3560 38.8892 174.1808 46 G 3.7498 8.3330 104.0451 43.7051 0.0000 171.6901 47 D 4.4009 8.6121 118.3795 55.1159 41.1491 176.6377 48 L 4.8807 8.3815 124.0541 54.5893 43.8288 177.5920 49 S 4.3540 7.5998 113.6745 60.5201 63.0256 174.5252 50 T 4.6911 7.4513 110.9759 59.3799 71.3724 173.0535 51 P 4.2839 0.0000 0.0000 65.3601 32.0221 178.2906 52 D 4.4423 8.1299 117.3707 56.7277 41.3028 178.3130 53 A 3.9709 7.4383 120.1463 55.2018 18.0405 179.9711 54 V 3.5309 8.7000 116.4424 66.5124 31.8579 178.1063 55 M 4.3071 9.7822 116.0982 57.2880 31.9173 178.1140 56 G 3.8904 8.1116 104.8730 44.4715 0.0000 173.5918 57 N 4.3798 7.7379 121.6154 52.8831 39.6208 173.7806 58 P 4.2043 0.0000 0.0000 65.8314 31.4189 178.5111 59 K 3.5983 8.6740 119.9668 58.7727 31.4108 179.0506 60 V 3.6769 7.3697 117.9384 65.9431 30.1073 177.3085 61 K 3.7917 10.0071 118.2069 59.7565 32.0899 177.5832 62 A 3.8556 8.5264 120.8103 55.9587 18.2664 179.1733 63 H 4.5048 8.1536 116.0328 59.1755 29.8672 177.7539 64 G 3.5261 7.7661 106.7347 47.6960 0.0000 175.6626 65 K 3.8478 7.4581 121.2149 59.9493 32.2476 178.0766 66 K 3.8624 7.7668 119.0104 59.5516 31.9578 178.5676 67 V 3.6531 8.3957 117.8545 66.2566 31.8821 178.2243 68 L 4.6779 8.7971 117.4674 55.9867 41.5501 178.3007 69 G 4.0930 10.7957 104.3270 45.0255 0.0000 175.3929 70 A 4.2417 8.3170 124.2505 55.1503 18.1835 179.2647 71 F 4.1810 8.6042 118.7480 61.9549 39.5815 177.7443 72 S 4.1959 8.8020 114.4194 61.6567 62.5402 175.7973 73 D 4.7238 7.9068 118.5314 55.5135 40.9230 177.6164 74 G 3.8367 7.3859 106.0881 45.8987 0.0000 175.3441 75 L 3.7621 6.9919 117.3646 55.9211 41.4819 177.5855 76 A 4.2057 7.4109 121.0844 53.2361 20.3138 177.4041 77 H 4.7933 7.5849 113.3629 54.2629 28.0040 173.9211 78 L 3.9855 7.5595 123.3525 57.6804 42.7891 177.5856 79 D 4.4708 7.9635 117.3607 57.1053 41.6360 176.2542 80 N 4.9632 7.4857 114.4907 51.1680 38.4181 174.1985 81 L 4.0877 7.8579 127.1218 58.0170 42.5645 177.4140 82 K 4.0871 8.1126 118.9255 59.2422 32.1338 178.4980 83 G 4.2465 7.8255 106.2181 47.7693 0.0000 175.3944 84 T 4.0459 7.4608 116.8159 64.5720 68.8432 176.2178 85 F 4.9690 7.8073 118.4830 57.2750 39.5863 177.4785 86 A 4.0878 7.9138 123.9758 55.5152 17.9836 180.6783 87 T 3.8255 7.8257 113.8011 66.6512 68.6556 176.8044 88 L 4.0834 7.9228 120.3750 57.8890 41.4074 179.4018 89 S 4.1853 8.0606 112.6292 61.4146 62.4661 175.2429 90 E 3.7192 8.5834 122.4465 59.5662 29.4828 178.4753 91 L 4.2635 9.8320 118.1863 56.7275 41.7211 178.0761 92 H 4.3479 8.8761 116.9134 59.8084 28.4358 176.4370 93 C 3.8432 7.2405 119.3817 61.6134 31.2665 174.1698 94 D 4.4912 7.9603 121.2573 57.1690 41.0222 178.3431 95 K 4.0691 7.4740 115.5325 58.5483 32.6063 178.0488 96 L 3.9291 7.4728 118.8472 57.7318 42.3604 177.8865 97 H 4.2453 9.3809 113.8728 57.0818 26.0102 175.4630 98 V 4.4280 7.6137 110.8982 59.5659 33.2926 175.6662 99 D 4.4668 8.6872 123.3177 53.1611 41.4599 175.2510 100 P 3.1779 0.0000 0.0000 64.5327 31.0416 177.7859 101 E 3.8709 7.8233 118.9804 59.3240 29.3679 177.5065 102 N 4.0924 7.6106 115.8708 57.0252 38.3737 176.6875 103 F 4.2401 7.3723 118.7315 61.1245 39.2146 177.6116 104 R 4.0848 8.1368 117.8377 58.7615 29.8937 178.6628 105 L 3.9033 7.5188 119.3503 57.7643 41.7005 178.9934 106 L 4.3697 8.8411 119.9085 57.0932 41.9980 178.8978 107 G 3.6461 7.8393 104.5255 47.9678 0.0000 175.4741 108 N 4.4943 7.9258 117.1078 55.5898 38.4217 177.6420 109 V 3.6753 7.7160 119.8115 65.9085 31.6772 177.6902 110 L 3.5220 8.1452 120.1143 58.0283 41.9196 179.1262 111 V 3.7155 8.1748 118.4149 65.5685 31.3876 177.9228 112 C 4.1000 7.7098 116.0808 62.8031 28.1442 175.8365 113 V 3.6100 8.5463 120.6736 66.2662 30.2880 178.1623 114 L 3.8059 7.2490 118.3558 57.3335 40.0892 178.8522 115 A 3.7125 7.2544 120.7220 55.7242 18.1301 179.1973 116 H 4.5274 8.3278 115.1315 59.1238 30.0564 176.5745 117 H 4.0767 8.7304 120.6974 58.5391 29.7646 176.5411 118 F 4.6256 9.3907 118.3931 55.9099 39.6112 177.4254 119 G 3.9075 8.2816 107.8581 46.5767 0.0000 175.7559 120 K 4.3854 8.9808 123.1710 57.4110 32.3399 177.1873 121 E 4.1134 7.9797 121.4728 59.0564 29.9866 177.1433 122 F 4.6534 8.0647 122.1927 57.1619 38.0370 174.1826 123 T 4.2627 7.4199 115.8664 59.5564 70.8363 174.5018 124 P 4.1156 0.0000 0.0000 64.8302 31.0928 176.2807 125 P 4.4488 0.0000 0.0000 63.7980 31.6405 177.3344 126 V 4.0785 7.1820 116.8920 64.6140 31.9767 176.8585 127 Q 3.7112 7.6795 119.2576 58.2867 28.9821 176.9538 128 A 3.9623 8.3272 121.6496 55.4691 18.5598 179.1719 129 A 4.2131 8.3706 117.6579 53.8026 18.6823 178.2234 130 Y 4.1774 8.3526 114.5618 58.4807 38.2240 177.5640 131 Q 4.2985 7.9402 118.7791 58.5022 29.4505 177.5887 132 K 4.0856 7.7476 119.0128 59.5712 32.0177 179.6935 133 V 3.4628 8.0373 119.0417 65.7597 31.4967 177.7170 134 V 4.1661 8.7462 117.4360 62.8683 31.4127 177.7180 135 A 4.1465 7.8795 123.2357 55.3521 18.2823 179.9877 136 G 3.5580 7.8988 103.1323 47.3463 0.0000 175.8018 137 V 3.5602 7.6532 120.1034 66.1133 31.5220 177.8390 138 A 3.9774 8.0628 119.8011 54.8274 16.9748 178.5068 139 N 4.3397 8.5294 115.9771 57.1331 38.8118 176.9466 140 A 4.3309 8.6525 122.7577 54.0438 18.3618 178.1510 141 L 4.5362 7.3846 116.8830 56.2352 42.1747 177.1504 142 A 4.7648 7.2985 122.2877 53.7321 21.0517 178.5937 143 H 4.2091 7.3931 114.8377 58.7977 30.3006 176.7380 144 K 4.5627 7.3894 117.7472 55.8779 32.1421 175.7499 145 Y 4.1313 8.1462 115.1869 58.0611 39.1207 175.9138 146 H 4.3532 8.7346 116.5919 56.6130 27.9325 173.9663 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 V 8.04 3.89 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 0.99 0.00 0.00 2 H 7.90 4.39 0.00 3.32 3.21 0.00 5.54 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.91 4.71 0.00 1.56 1.54 0.83 0.97 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 4 T 7.82 4.55 4.45 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 1.25 0.00 0.00 5 P 0.00 4.17 0.00 2.16 2.11 0.00 3.56 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 2.11 2.12 0.00 6 V 7.61 4.37 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 0.72 0.00 0.00 0.92 0.00 0.00 7 E 7.38 4.21 0.00 2.02 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 2.34 2.33 0.00 8 K 8.51 3.78 0.00 2.10 1.76 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.54 7.81 9 S 7.57 4.07 0.00 3.93 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 10 A 7.97 4.03 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 11 V 8.68 3.31 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 0.44 0.00 0.00 0.77 0.00 0.00 12 T 8.33 3.89 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 13 A 8.00 4.18 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 14 L 8.26 3.73 0.00 2.15 2.05 0.48 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.44 4.30 0.00 3.72 3.41 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 16 G 7.95 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 17 K 8.09 4.20 0.00 2.19 2.14 0.00 1.98 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.50 7.81 18 V 6.89 3.22 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 -0.42 0.00 0.00 0.28 0.00 0.00 19 N 8.27 4.57 0.00 2.60 2.50 0.00 0.00 6.84 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 20 V 8.10 3.43 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 0.98 0.00 0.00 0.65 0.00 0.00 21 D 7.90 4.48 0.00 2.68 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 22 E 7.83 4.17 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 23 V 7.68 3.84 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 0.70 0.00 0.00 0.80 0.00 0.00 24 G 8.31 3.77 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 0.00 0.00 0.00 25 G 7.97 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 0.00 0.00 0.00 26 E 7.83 3.89 0.00 2.27 1.92 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 2.26 2.27 0.00 27 A 7.69 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.86 4.11 0.00 1.79 1.65 0.87 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.89 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.69 3.86 0.00 2.00 1.94 0.00 3.03 0.00 0.00 3.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 31 L 7.72 3.86 0.00 1.92 1.73 0.98 1.13 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 L 7.51 4.01 0.00 2.09 1.70 1.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 33 V 6.78 3.83 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 0.73 0.00 0.00 0.89 0.00 0.00 34 V 7.86 3.56 1.67 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 -0.50 0.00 0.00 0.74 0.00 0.00 35 Y 6.99 3.56 0.00 1.61 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.04 0.00 2.26 2.19 0.00 3.15 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.94 0.00 37 W 7.16 4.65 0.00 3.36 3.40 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 38 T 7.51 4.39 4.71 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 1.16 0.00 0.00 39 Q 8.29 4.02 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 40 R 7.73 4.43 0.00 1.47 1.04 0.00 2.99 0.00 0.00 2.58 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.41 0.00 41 F 7.96 4.47 0.00 1.85 2.25 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 42 F 9.50 4.93 0.00 2.74 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.39 4.44 0.00 2.21 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 2.38 2.36 0.00 44 S 7.88 4.56 0.00 4.01 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 7.81 4.42 0.00 3.02 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 46 G 8.33 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 0.00 0.00 0.00 47 D 8.61 4.40 0.00 2.68 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 48 L 8.38 4.88 0.00 1.83 1.61 0.97 1.16 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 49 S 7.60 4.35 0.00 3.97 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.45 4.69 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 1.21 0.00 0.00 51 P 0.00 4.28 0.00 2.17 2.10 0.00 3.57 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 2.08 2.08 0.00 52 D 8.13 4.44 0.00 2.67 2.68 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 53 A 7.44 3.97 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 54 V 8.70 3.53 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 0.88 0.00 0.00 0.98 0.00 0.00 55 M 9.78 4.31 0.00 2.01 2.04 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 2.46 3.89 0.00 56 G 8.11 3.89 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 0.00 0.00 0.00 57 N 7.74 4.38 0.00 2.94 2.74 0.00 0.00 6.78 7.30 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 58 P 0.00 4.20 0.00 2.21 2.22 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 59 K 8.67 3.60 0.00 1.37 0.74 0.00 1.29 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.17 0.91 7.81 60 V 7.37 3.68 2.24 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 0.98 0.00 0.00 1.37 0.00 0.00 61 K 10.01 3.79 0.00 2.00 1.79 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.46 7.81 62 A 8.53 3.86 1.32 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 63 H 8.15 4.50 0.00 3.43 3.50 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 7.77 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.46 3.85 0.00 2.19 2.08 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.43 7.81 66 K 7.77 3.86 0.00 2.15 2.04 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.54 7.81 67 V 8.40 3.65 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 1.02 0.00 0.00 0.87 0.00 0.00 68 L 8.80 4.68 0.00 1.77 1.97 0.82 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 69 G 10.80 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.32 4.24 1.64 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 71 F 8.60 4.18 0.00 3.31 3.37 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 72 S 8.80 4.20 0.00 4.28 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 0.00 73 D 7.91 4.72 0.00 2.89 2.66 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 G 7.39 3.84 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 0.00 0.00 0.00 75 L 6.99 3.76 0.00 1.20 1.23 -0.19 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.41 4.21 0.97 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 0.00 0.00 77 H 7.58 4.79 0.00 2.93 3.18 0.00 5.86 0.00 0.00 0.00 0.00 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.56 3.99 0.00 1.57 1.57 0.74 1.10 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 79 D 7.96 4.47 0.00 2.63 2.66 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 80 N 7.49 4.96 0.00 2.92 2.87 0.00 0.00 5.93 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 81 L 7.86 4.09 0.00 1.71 1.76 1.10 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.11 4.09 0.00 1.77 1.80 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 1.41 7.81 83 G 7.83 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 0.00 0.00 0.00 0.00 84 T 7.46 4.05 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 0.84 0.00 0.00 85 F 7.81 4.97 0.00 3.33 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.91 4.09 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 87 T 7.83 3.83 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 1.22 0.00 0.00 88 L 7.92 4.08 0.00 2.06 1.84 1.00 0.95 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 89 S 8.06 4.19 0.00 4.01 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 90 E 8.58 3.72 0.00 2.20 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 0.00 2.39 2.34 0.00 91 L 9.83 4.26 0.00 1.92 1.90 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.88 4.35 0.00 3.80 3.68 0.00 5.86 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 93 C 7.24 3.84 0.00 1.23 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 0.00 0.00 0.00 94 D 7.96 4.49 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 95 K 7.47 4.07 0.00 1.90 1.78 0.00 1.57 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.38 7.81 96 L 7.47 3.93 0.00 1.64 1.98 0.59 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 97 H 9.38 4.25 0.00 3.42 3.49 0.00 5.69 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.61 4.43 1.68 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 -0.50 0.00 0.00 0.95 0.00 0.00 99 D 8.69 4.47 0.00 2.80 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 0.00 100 P 0.00 3.18 0.00 2.01 1.77 0.00 3.53 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.22 0.00 101 E 7.82 3.87 0.00 2.17 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 2.28 2.37 0.00 102 N 7.61 4.09 0.00 2.47 2.75 0.00 0.00 6.89 7.93 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 0.00 103 F 7.37 4.24 0.00 2.90 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 0.00 104 R 8.14 4.08 0.00 1.94 2.17 0.00 3.09 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 105 L 7.52 3.90 0.00 1.77 1.51 0.84 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.84 4.37 0.00 1.78 1.72 0.93 1.15 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 0.00 107 G 7.84 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 0.00 108 N 7.93 4.49 0.00 3.08 2.97 0.00 0.00 6.56 7.56 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 0.00 109 V 7.72 3.68 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 1.05 0.00 0.00 1.07 0.00 0.00 110 L 8.15 3.52 0.00 1.83 1.78 0.87 0.19 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 0.00 111 V 8.17 3.72 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 1.32 0.00 0.00 1.23 0.00 0.00 112 C 7.71 4.10 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 0.00 113 V 8.55 3.61 2.02 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 0.92 0.00 0.00 0.92 0.00 0.00 114 L 7.25 3.81 0.00 1.49 0.55 0.26 0.81 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 0.00 115 A 7.25 3.71 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 0.00 116 H 8.33 4.53 0.00 3.08 3.26 0.00 5.76 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 0.00 117 H 8.73 4.08 0.00 2.92 3.20 0.00 5.99 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 9.39 4.63 0.00 3.22 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.28 3.91 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 0.00 0.00 0.00 120 K 8.98 4.39 0.00 1.91 1.98 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 121 E 7.98 4.11 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 2.37 2.34 0.00 122 F 8.06 4.65 0.00 2.92 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.42 4.26 4.18 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 1.25 0.00 0.00 124 P 0.00 4.12 0.00 2.12 2.09 0.00 3.53 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 2.07 2.09 0.00 125 P 0.00 4.45 0.00 2.24 2.26 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 126 V 7.18 4.08 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 1.11 0.00 0.00 0.97 0.00 0.00 127 Q 7.68 3.71 0.00 1.67 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 128 A 8.33 3.96 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 0.00 129 A 8.37 4.21 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 8.35 4.18 0.00 3.40 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 0.00 131 Q 7.94 4.30 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 7.04 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 132 K 7.75 4.09 0.00 1.72 1.80 0.00 2.00 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.31 7.81 133 V 8.04 3.46 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.68 0.00 0.00 134 V 8.75 4.17 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 0.95 0.00 0.00 1.05 0.00 0.00 135 A 7.88 4.15 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 0.00 136 G 7.90 3.56 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 0.00 137 V 7.65 3.56 2.14 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 0.79 0.00 0.00 1.07 0.00 0.00 138 A 8.06 3.98 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 0.00 139 N 8.53 4.34 0.00 2.78 2.85 0.00 0.00 7.05 7.99 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 0.00 140 A 8.65 4.33 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 4.54 0.00 1.45 1.31 -1.27 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.30 4.76 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 0.00 143 H 7.39 4.21 0.00 3.13 3.38 0.00 5.74 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 0.00 144 K 7.39 4.56 0.00 1.81 1.79 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.37 7.81 145 Y 8.15 4.13 0.00 3.27 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 0.00 146 H 8.73 4.35 0.00 3.19 3.20 0.00 5.58 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00