NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0283 8.2127 109.7498 45.5255 0.0000 173.3826 2 F 4.0044 8.9970 119.9731 61.0638 39.0807 176.7991 3 K 3.8594 8.2986 117.8863 59.4949 32.3692 178.5000 4 Q 3.9746 8.0809 119.3199 59.2862 28.9744 177.7224 5 D 4.5584 8.5493 120.2045 57.5751 40.8384 178.8714 6 I 3.7352 7.8220 119.9761 64.2940 37.1015 178.3152 7 A 3.9798 7.7121 121.5342 55.3930 18.2952 179.6005 8 T 3.8177 8.3203 114.5923 66.9515 68.4292 176.7659 9 I 3.4698 7.9080 121.6039 64.5499 36.9443 178.7193 10 R 4.0972 8.1782 117.8521 59.2811 29.9082 178.9844 11 G 3.8530 8.1407 104.7988 46.7210 0.0000 173.3415 12 D 4.9520 7.8789 118.0961 51.9720 41.5652 175.8770 13 L 4.3520 7.9825 126.4277 57.9916 42.6020 177.7840 14 R 3.7903 7.8963 117.9336 59.5014 30.0609 178.4923 15 T 3.7292 7.6519 115.0659 66.8932 68.4913 176.2205 16 Y 3.9461 7.6463 118.1754 60.7435 37.8079 178.3819 17 A 2.5800 7.9489 122.0075 54.6414 18.3548 179.7708 18 Q 3.7944 7.7806 116.4241 59.0704 28.8000 178.6095 19 D 4.2959 7.8910 119.8133 57.5893 40.8173 179.1280 20 I 3.2956 7.4143 120.4588 63.9343 36.9572 178.3058 21 F 4.2314 8.1520 121.6306 61.3110 39.1756 177.1833 22 L 3.9180 8.3830 118.6264 57.6808 41.3498 179.2310 23 A 3.9844 8.1130 120.7379 55.1124 18.3170 179.1833 24 F 4.3864 8.3709 119.1253 61.8652 39.5624 177.4308 25 L 3.5138 7.7071 118.3616 57.6766 41.1290 179.3183 26 N 4.4327 8.1439 115.8766 55.7006 38.5681 177.1262 27 K 3.9878 8.0119 120.7499 57.8261 33.7632 176.4877 28 Y 4.7143 7.5786 116.4744 54.2522 38.3752 173.8128 29 P 4.3874 0.0000 0.0000 64.8858 31.6112 177.5524 30 D 4.4418 8.1631 117.0294 57.1910 40.5249 178.1888 31 E 4.4187 8.4237 118.7906 58.7100 29.3436 178.9611 32 R 4.2420 7.9913 118.7539 59.2275 29.8354 178.4927 33 R 3.8811 7.5440 117.2900 59.1592 30.0285 177.9276 34 Y 4.1892 7.4631 114.8712 58.5949 39.0746 176.0818 35 F 4.6836 8.0178 119.5401 54.7177 38.9013 175.6199 36 K 3.9686 8.1232 124.6993 59.0071 32.3939 178.9113 37 N 4.5582 7.9691 114.4263 54.7719 37.6589 175.1335 38 Y 4.7552 8.0612 116.6777 58.4990 38.7672 175.7394 39 V 3.6747 7.4074 120.4269 64.0100 31.9102 175.6814 40 G 3.9358 8.9270 114.5073 46.4263 0.0000 172.9546 41 K 4.7482 7.9093 117.9594 53.5847 35.1011 177.1780 42 S 4.3566 9.1362 119.2393 57.6484 65.1409 175.0595 43 D 4.1944 8.5301 122.0083 57.9836 40.3266 179.3859 44 Q 3.9611 7.8568 117.3333 58.8610 29.4441 177.4430 45 E 4.0495 7.7866 119.9832 59.2439 29.4503 179.1474 46 L 3.6463 7.6879 119.0193 57.4338 41.2561 179.5621 47 K 4.1943 7.4523 117.0121 58.3911 31.9961 178.2937 48 S 4.6608 7.5114 112.7495 57.4714 63.8306 173.4008 49 M 4.5141 7.5698 123.8338 53.7203 33.4108 176.5201 50 A 4.0644 8.8526 126.3265 55.4576 18.5427 179.5255 51 K 4.0595 8.1345 116.3154 59.2200 32.1692 179.2641 52 F 4.4449 7.7359 122.4854 60.8274 39.3599 177.5086 53 G 3.5006 8.1341 104.8447 47.6919 0.0000 175.2825 54 D 4.2915 8.2066 121.2872 57.3147 40.8159 178.2815 55 H 4.1167 8.5567 119.2806 59.6343 29.9450 177.4883 56 T 3.4524 7.4720 111.4617 64.2341 68.3558 175.9685 57 E 3.8719 7.9105 122.2480 59.2937 29.6864 179.1013 58 K 3.9728 7.9886 118.3439 59.2373 31.9838 179.5008 59 V 3.5092 7.8848 118.6972 66.2685 31.4243 178.2313 60 F 3.8644 8.4845 117.1620 59.7994 38.6526 177.3446 61 N 4.3021 8.5578 117.5749 56.7301 38.7551 176.5956 62 L 4.3472 7.9155 122.9349 57.8095 42.0847 178.4212 63 M 4.1668 8.3089 118.4360 59.2029 32.0680 178.2040 64 M 4.1584 8.4503 118.8998 58.2108 31.9432 178.5557 65 E 3.9767 8.4410 118.9897 59.5325 29.4788 179.6368 66 V 3.8545 7.9235 116.6459 65.9116 31.8554 177.4944 67 A 3.8228 8.4447 120.9071 55.2661 17.9565 179.1854 68 D 4.2783 8.1949 115.5703 57.3600 41.3961 178.1465 69 R 4.1335 8.1224 116.7335 56.8726 30.5563 176.9839 70 A 4.3217 7.1040 121.4769 52.3838 19.1460 176.7498 71 T 4.4085 8.4976 117.3647 62.7613 70.2365 174.7134 72 D 4.2527 9.4997 127.0909 55.6116 39.7194 173.2010 73 C 3.4113 7.7908 109.9961 60.0799 26.0259 172.7677 74 V 4.2633 7.6390 121.1569 60.0711 32.0768 173.7212 75 P 4.8229 0.0000 0.0000 62.1038 32.2996 176.7504 76 L 4.0833 8.3668 119.4563 54.8585 43.4679 178.4676 77 A 4.0053 8.5890 124.3487 55.3281 18.4005 180.3931 78 S 4.1087 7.9859 112.3585 61.5447 63.2560 176.3954 79 D 4.3435 7.9747 121.9789 57.0238 40.6644 178.1683 80 A 3.8849 7.8651 121.1403 55.0954 18.2573 179.0675 81 N 4.1750 8.1563 115.4377 57.2667 38.8848 177.0581 82 T 3.8754 7.9265 116.9490 66.7661 68.3035 176.5814 83 L 4.1026 7.6329 119.6226 57.7026 41.7122 179.4546 84 V 3.7223 7.6770 117.2865 66.1923 31.6294 177.9807 85 Q 4.1496 8.2838 116.4691 57.4156 29.0491 176.8549 86 M 4.1289 7.4486 120.8440 55.2156 32.7524 177.4807 87 K 3.9548 8.8431 122.8900 59.7305 32.4327 179.1578 88 Q 4.1143 8.0735 116.0046 58.3475 28.8787 176.5896 89 H 4.9746 8.1887 114.3689 55.2880 29.3387 176.4765 90 S 4.1474 8.0728 116.4417 60.9458 62.7221 175.4050 91 S 4.5297 7.9371 112.7347 58.3106 63.5644 174.0928 92 L 4.4183 7.7170 121.8399 54.4969 42.3061 175.4729 93 T 4.8897 8.8605 110.8050 59.3682 71.8608 175.0463 94 T 4.1004 8.6546 111.5514 64.5274 68.5241 176.8352 95 G 3.6986 8.1689 108.6541 47.6967 0.0000 175.0900 96 N 4.3270 7.9619 118.7438 56.3612 38.6044 177.5064 97 F 3.9454 8.2839 118.4563 60.3286 39.1025 176.9890 98 E 4.0453 8.7469 119.4569 59.5160 29.3596 179.1848 99 K 3.7516 8.1114 118.2802 59.0648 31.8976 178.8862 100 L 3.0996 7.4392 120.1978 58.2101 41.7389 179.2851 101 F 4.0186 8.1905 117.4048 60.2063 38.8212 177.8815 102 V 3.7225 8.1354 117.9494 66.1083 31.3002 177.9982 103 A 4.1700 8.5072 120.5994 54.9860 18.1514 179.3661 104 L 3.8330 8.2319 119.1618 58.3548 42.1776 179.4264 105 V 3.6676 8.2283 118.4850 65.9243 31.4728 177.5019 106 E 3.9657 8.4264 119.1158 59.3946 29.4997 178.0388 107 Y 4.0286 8.3360 119.7354 61.1402 38.6435 178.0663 108 M 3.8463 8.0871 118.1887 58.5457 32.1029 178.7429 109 R 4.1093 8.0453 116.8665 59.1186 30.3147 178.6269 110 A 4.1591 7.8401 119.5694 53.2568 18.7158 178.0615 111 S 4.2210 6.8420 111.4097 57.6617 63.8565 175.0374 112 G 3.6524 8.4315 110.3351 48.0632 0.0000 174.2566 113 Q 4.0032 7.4944 121.2564 55.7547 30.0420 176.3801 114 S 4.5135 8.0041 119.2127 57.5909 62.2879 174.3806 115 F 4.9936 7.5121 118.1411 57.8978 40.1970 176.4755 116 D 4.8597 9.9399 125.0829 53.1594 39.6435 177.0187 117 S 4.5042 8.3996 119.9415 61.2548 63.2869 175.6441 118 Q 4.0879 8.3001 120.3862 59.3119 28.4150 179.1199 119 S 4.0184 8.2640 115.6848 61.3338 62.7339 176.8224 120 W 4.2917 8.3229 121.2928 59.5681 28.9217 177.9484 121 D 4.4829 8.6797 118.3711 57.5412 40.7118 178.5161 122 R 3.8785 8.0890 118.5368 59.1258 29.9874 178.7886 123 F 4.4134 7.9265 122.2466 60.6132 39.2850 177.2804 124 G 2.7567 8.1830 105.4481 47.4514 0.0000 175.7399 125 K 3.8731 7.8790 121.0621 59.2846 32.1244 179.3481 126 N 4.2941 8.2664 118.3931 55.3143 38.3132 177.3522 127 L 3.5678 7.6453 122.3774 57.8293 42.1928 179.0710 128 V 3.4164 7.6103 118.5546 66.0752 31.3718 178.1615 129 S 4.0534 8.0873 113.7215 61.3729 62.7621 176.3279 130 A 3.9987 7.9042 124.3597 54.7022 18.0605 179.5889 131 L 3.7489 8.1167 118.0422 57.9159 41.5150 179.5705 132 S 4.4409 7.7160 114.0950 61.0610 62.0670 176.4171 133 S 4.2012 7.6456 115.9110 60.6249 62.6649 175.3834 134 A 4.4180 7.5226 121.5574 51.8895 18.5972 177.7187 135 G 3.9577 7.5347 106.1735 45.4695 0.0000 173.9341 136 M 4.2288 8.1231 120.0280 54.7524 33.2547 176.4747 137 K 4.1676 8.5040 122.8866 56.7507 32.4222 176.8157 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 G 8.21 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 0.00 0.00 0.00 2 F 9.00 4.00 0.00 2.97 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 3 K 8.30 3.86 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.47 7.81 4 Q 8.08 3.97 0.00 2.17 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 5 D 8.55 4.56 0.00 3.39 3.20 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 6 I 7.82 3.74 1.93 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.89 0.00 0.00 7 A 7.71 3.98 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 8 T 8.32 3.82 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 0.96 0.00 0.00 9 I 7.91 3.47 1.79 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.21 0.89 0.00 0.00 10 R 8.18 4.10 0.00 1.84 2.03 0.00 3.18 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 11 G 8.14 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 0.00 0.00 0.00 12 D 7.88 4.95 0.00 2.89 2.58 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 13 L 7.98 4.35 0.00 1.95 1.68 0.98 1.11 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 14 R 7.90 3.79 0.00 1.87 1.85 0.00 3.20 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 15 T 7.65 3.73 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 0.97 0.00 0.00 16 Y 7.65 3.95 0.00 2.93 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 17 A 7.95 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.78 3.79 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 19 D 7.89 4.30 0.00 2.70 2.46 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 0.00 20 I 7.41 3.30 1.39 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 -0.33 0.88 0.00 0.00 21 F 8.15 4.23 0.00 3.27 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 22 L 8.38 3.92 0.00 1.93 1.69 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.11 3.98 1.46 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 0.00 0.00 0.00 24 F 8.37 4.39 0.00 2.96 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 25 L 7.71 3.51 0.00 1.49 1.51 0.93 0.23 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 26 N 8.14 4.43 0.00 2.68 2.81 0.00 0.00 7.00 7.85 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 27 K 8.01 3.99 0.00 1.69 1.54 0.00 1.89 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 1.11 7.81 28 Y 7.58 4.71 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.39 0.00 2.14 2.09 0.00 3.86 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 2.09 2.00 0.00 30 D 8.16 4.44 0.00 2.75 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 31 E 8.42 4.42 0.00 1.64 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 2.42 2.15 0.00 32 R 7.99 4.24 0.00 1.95 2.06 0.00 3.15 0.00 0.00 3.48 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.89 0.00 33 R 7.54 3.88 0.00 1.48 1.72 0.00 3.09 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 34 Y 7.46 4.19 0.00 2.22 2.49 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 35 F 8.02 4.68 0.00 3.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.12 3.97 0.00 1.75 1.85 0.00 1.64 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 1.48 1.34 7.81 37 N 7.97 4.56 0.00 2.92 2.96 0.00 0.00 5.99 7.55 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 38 Y 8.06 4.76 0.00 3.28 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 39 V 7.41 3.67 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 0.75 0.00 0.00 1.02 0.00 0.00 40 G 8.93 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 41 K 7.91 4.75 0.00 1.75 1.62 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.37 7.81 42 S 9.14 4.36 0.00 3.96 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 43 D 8.53 4.19 0.00 2.63 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 44 Q 7.86 3.96 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 45 E 7.79 4.05 0.00 2.18 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 2.29 2.30 0.00 46 L 7.69 3.65 0.00 0.97 0.13 0.50 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.45 4.19 0.00 1.75 1.88 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.53 7.81 48 S 7.51 4.66 0.00 4.04 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 49 M 7.57 4.51 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.50 0.00 50 A 8.85 4.06 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 51 K 8.13 4.06 0.00 1.97 2.01 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.56 7.81 52 F 7.74 4.44 0.00 3.10 3.28 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 53 G 8.13 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.21 4.29 0.00 2.80 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 55 H 8.56 4.12 0.00 3.17 3.38 0.00 5.59 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.47 3.45 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 0.01 0.00 0.00 57 E 7.91 3.87 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 58 K 7.99 3.97 0.00 1.97 1.84 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.59 7.81 59 V 7.88 3.51 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 0.79 0.00 0.00 60 F 8.48 3.86 0.00 3.16 3.10 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 61 N 8.56 4.30 0.00 2.84 3.01 0.00 0.00 6.69 6.64 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 62 L 7.92 4.35 0.00 1.84 1.81 1.02 0.58 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 63 M 8.31 4.17 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 3.01 0.00 64 M 8.45 4.16 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.01 0.00 65 E 8.44 3.98 0.00 2.26 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 2.47 0.00 66 V 7.92 3.85 2.46 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 1.04 0.00 0.00 1.09 0.00 0.00 67 A 8.44 3.82 0.98 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 68 D 8.19 4.28 0.00 2.76 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 69 R 8.12 4.13 0.00 2.05 2.00 0.00 3.24 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 70 A 7.10 4.32 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.50 4.41 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 72 D 9.50 4.25 0.00 2.69 2.59 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 73 C 7.79 3.41 0.00 2.89 2.64 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 74 V 7.64 4.26 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 0.91 0.00 0.00 75 P 0.00 4.82 0.00 2.17 2.02 0.00 3.69 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 76 L 8.37 4.08 0.00 1.72 1.63 0.98 1.00 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 77 A 8.59 4.01 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 78 S 7.99 4.11 0.00 4.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.97 4.34 0.00 2.87 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 80 A 7.87 3.88 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 81 N 8.16 4.18 0.00 2.92 3.02 0.00 0.00 7.23 6.83 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 82 T 7.93 3.88 4.42 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 1.23 0.00 0.00 83 L 7.63 4.10 0.00 1.75 1.71 0.91 1.08 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 84 V 7.68 3.72 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 0.81 0.00 0.00 0.87 0.00 0.00 85 Q 8.28 4.15 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.56 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 86 M 7.45 4.13 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.50 0.00 87 K 8.84 3.95 0.00 1.78 1.87 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.42 7.81 88 Q 8.07 4.11 0.00 1.96 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 89 H 8.19 4.97 0.00 3.44 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.07 4.15 0.00 4.02 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.94 4.53 0.00 4.08 4.07 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 92 L 7.72 4.42 0.00 1.82 1.74 0.68 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.86 4.89 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 1.25 0.00 0.00 94 T 8.65 4.10 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 1.20 0.00 0.00 95 G 8.17 3.70 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 0.00 0.00 0.00 96 N 7.96 4.33 0.00 2.78 2.62 0.00 0.00 7.01 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 97 F 8.28 3.95 0.00 3.19 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 98 E 8.75 4.05 0.00 2.24 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 0.00 2.36 2.41 0.00 99 K 8.11 3.75 0.00 1.85 0.78 0.00 1.66 0.00 0.00 1.05 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.70 1.33 7.81 100 L 7.44 3.10 0.00 0.57 1.38 0.17 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.19 4.02 0.00 3.25 3.26 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 0.00 102 V 8.14 3.72 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 1.23 0.00 0.00 1.12 0.00 0.00 103 A 8.51 4.17 1.66 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 0.00 0.00 104 L 8.23 3.83 0.00 1.62 1.82 0.75 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.23 3.67 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 1.07 0.00 0.00 1.29 0.00 0.00 106 E 8.43 3.97 0.00 2.23 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 0.00 2.36 2.36 0.00 107 Y 8.34 4.03 0.00 3.10 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 M 8.09 3.85 0.00 1.89 2.18 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 1.11 0.00 109 R 8.05 4.11 0.00 1.82 2.03 0.00 3.23 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 110 A 7.84 4.16 1.30 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 0.00 0.00 111 S 6.84 4.22 0.00 3.97 3.72 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 0.00 112 G 8.43 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 0.00 113 Q 7.49 4.00 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.53 0.00 0.00 0.00 0.00 0.00 1.35 1.35 0.00 114 S 8.00 4.51 0.00 4.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.51 4.99 0.00 3.12 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 0.00 116 D 9.94 4.86 0.00 2.84 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 0.00 117 S 8.40 4.50 0.00 4.05 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 0.00 118 Q 8.30 4.09 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 119 S 8.26 4.02 0.00 4.06 3.46 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 0.00 120 W 8.32 4.29 0.00 3.77 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 0.00 121 D 8.68 4.48 0.00 3.08 2.85 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 0.00 122 R 8.09 3.88 0.00 1.94 1.85 0.00 3.13 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 123 F 7.93 4.41 0.00 2.61 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 0.00 124 G 8.18 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 0.00 0.00 0.00 125 K 7.88 3.87 0.00 1.88 1.80 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.59 7.81 126 N 8.27 4.29 0.00 2.58 2.71 0.00 0.00 6.19 6.40 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 0.00 127 L 7.65 3.57 0.00 0.84 1.13 0.67 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.61 3.42 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 0.95 0.00 0.00 0.96 0.00 0.00 129 S 8.09 4.05 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 0.00 130 A 7.90 4.00 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 0.00 131 L 8.12 3.75 0.00 1.55 1.42 -0.04 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 132 S 7.72 4.44 0.00 3.86 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 0.00 133 S 7.65 4.20 0.00 3.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.52 4.42 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 0.00 135 G 7.53 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 0.00 0.00 0.00 0.00 136 M 8.12 4.23 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.47 0.00 137 K 8.50 4.17 0.00 1.86 1.69 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.42 7.81