NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4129 8.1927 115.2910 58.0217 63.8060 174.3927 4 S 4.1273 8.6101 122.0619 60.9558 62.1843 174.8445 5 I 3.7240 8.4464 123.5174 64.4085 37.3159 177.9432 6 R 3.8865 8.0043 118.9441 59.2991 29.8835 178.9628 7 E 3.9946 8.3700 118.4470 59.4166 29.4232 179.0707 8 E 3.9716 8.2046 119.4423 58.9940 29.6780 179.0050 9 V 3.5371 7.9686 118.7051 66.4948 31.5468 177.8900 10 H 4.3028 8.4099 116.0573 58.7593 28.4034 178.1032 11 R 3.9840 8.1765 120.2380 59.2245 29.8649 178.5147 12 H 4.1019 8.4135 118.1830 59.3709 29.7177 177.3549 13 L 4.1185 7.9460 119.5297 57.7018 41.1704 179.4817 14 G 3.7413 7.9757 105.5178 47.8249 0.0000 176.1511 15 T 3.9417 8.1202 118.2304 66.5004 68.5156 177.2634 16 V 3.6703 7.8699 113.6737 63.7986 31.5652 178.3625 17 A 4.0343 7.6614 119.9453 54.9990 17.9239 179.5681 18 L 4.0325 7.7870 116.8007 57.4876 41.6959 178.5013 19 M 4.4778 7.4525 116.2491 53.7190 32.3002 175.8722 20 Q 3.9483 7.2761 121.2906 55.6771 29.4845 174.7711 21 P 4.3645 0.0000 0.0000 63.0208 32.0134 175.2709 22 A 4.4815 8.0722 122.3767 51.4216 21.8616 176.3004 23 L 4.3277 8.2759 120.1221 53.6173 41.2810 176.4033 24 H 4.4412 8.5706 124.6614 54.6977 29.2596 174.6582 25 Q 4.3807 8.1424 129.3736 54.0361 28.5059 175.0733 26 Q 4.0806 8.4565 124.7160 55.8409 29.4601 176.1543 27 T 4.5745 8.2435 111.5674 60.3787 70.5939 174.3748 28 H 4.6156 8.3925 123.3233 54.6875 29.3940 172.8918 29 A 3.6799 8.0926 127.1286 52.2148 15.9521 175.7142 30 P 4.3502 0.0000 0.0000 61.6808 32.7627 177.1500 31 A 4.2898 8.2550 123.0518 51.2288 19.3595 177.0318 32 P 4.2664 0.0000 0.0000 65.8615 31.4653 178.8363 33 T 4.1273 7.8994 106.0518 63.2484 68.8496 174.4988 34 E 4.4115 8.2467 121.1772 56.2151 30.0300 175.5290 35 I 4.3777 7.4559 121.2749 59.8544 38.0428 176.3482 36 T 4.4270 8.2152 116.6712 60.8092 71.4682 174.9761 37 H 4.1904 8.6498 119.8792 59.5945 29.7957 177.0769 38 T 3.8264 7.9407 117.1073 66.8011 68.3246 176.4087 39 L 3.9398 8.0135 120.8000 57.4593 41.6341 179.2670 40 F 4.0828 8.6590 121.1210 61.4240 39.4974 177.1964 41 R 3.9652 8.4578 118.3857 59.3896 29.6208 178.3570 42 A 4.0107 7.7157 119.7882 55.3042 18.4138 178.9545 43 Y 4.2471 8.0911 115.1118 60.5968 38.0261 177.3895 44 T 4.2818 7.4692 108.3350 60.4594 69.4406 175.1139 45 R 3.9554 6.6820 117.1461 56.7231 30.0745 176.4319 46 V 4.0181 8.0179 112.2293 59.4015 32.1466 175.2338 47 P 4.0582 0.0000 0.0000 65.8605 31.1605 177.4111 48 H 4.4163 6.9820 111.6153 56.7856 28.7527 175.7984 49 D 4.5525 7.7165 121.5261 53.1263 39.3957 175.7094 50 V 4.7127 7.1480 113.5297 59.5414 33.2922 176.3306 51 G 3.9367 7.9982 109.5514 47.4130 0.0000 173.8255 52 G 3.9995 8.9528 113.0569 45.1148 0.0000 173.5721 53 E 4.0721 8.1073 120.1395 55.7426 30.0672 176.3771 54 A 4.2730 8.3544 126.1872 52.4937 19.0768 176.0665 55 D 4.6320 8.1642 119.5965 53.2986 44.3757 174.6962 56 V 4.1882 7.8898 115.7980 59.1769 33.2555 174.0858 57 P 4.4622 0.0000 0.0000 62.0751 31.8698 176.2197 58 I 4.3586 7.4360 114.9492 58.5959 40.3681 175.1416 59 E 3.9906 8.3939 123.1614 55.2128 28.6655 175.8434 60 Y 4.3411 8.0416 124.5597 58.4307 38.5148 175.8376 61 H 5.0600 8.3914 118.2627 53.7091 31.6551 172.8841 62 E 4.5014 8.4674 119.6526 55.1731 30.9665 175.7422 63 K 4.5660 8.0117 120.3874 54.3130 35.2524 175.6761 64 E 4.0615 8.6516 126.6888 56.0349 30.3014 175.8755 65 E 4.2904 8.4003 125.0201 55.8561 30.7511 176.4805 66 E 4.2724 8.7916 123.1697 55.6305 30.7683 177.9514 67 I 3.7294 8.5146 123.1818 64.3960 37.2185 178.8513 68 W 4.9395 8.2914 118.2003 58.9459 27.9389 178.2048 69 E 2.9486 7.0712 119.6286 58.7800 28.7885 179.0643 70 L 3.8081 7.4105 118.5097 57.8396 41.6988 179.2093 71 N 4.4656 8.3138 116.4507 56.4671 38.4003 177.7266 72 T 4.0525 8.1432 117.3625 66.5215 68.6024 176.4749 73 F 4.2133 8.2023 122.4254 61.3447 39.3324 177.0159 74 A 3.9333 8.0608 120.2243 55.4193 18.0791 179.7242 75 T 3.8876 8.2161 114.2876 67.0651 68.4220 176.6904 76 C 4.6087 8.5570 118.7321 63.1689 28.2719 176.1189 77 E 4.1194 8.3480 120.1384 59.4470 28.8957 179.1957 78 C 4.6595 8.6591 117.4210 62.8631 28.1130 176.0270 79 L 3.8778 8.4929 120.7430 57.5601 41.1175 179.5091 80 A 5.1678 8.1585 122.2217 54.4048 18.2969 179.2192 81 W 4.4375 8.6448 126.1810 60.8046 30.7759 177.4708 82 R 4.2517 8.0629 115.1688 55.7826 29.5595 177.3748 83 G 3.9870 8.0509 106.4666 45.7612 0.0000 175.3993 84 V 3.6789 8.0381 121.2332 65.1239 31.8490 175.6751 85 W 5.1384 7.9074 114.6362 54.9244 30.6187 173.0238 86 T 4.7854 8.6631 109.7898 60.0444 71.5465 175.5112 87 A 3.6190 8.2392 122.9187 55.2024 18.3281 179.8852 88 E 3.8106 7.9519 116.7882 59.4753 29.5686 179.1506 89 E 3.9403 7.7659 118.0258 59.1553 29.4761 179.3325 90 R 2.9883 7.0873 118.4899 59.1000 29.9205 178.6680 91 R 3.5975 7.7416 118.1033 59.2242 29.9936 178.9792 92 R 3.7766 7.8387 118.2414 59.4176 29.7391 178.7722 93 K 4.2231 7.8905 119.6010 58.7831 31.6743 179.2201 94 Q 4.2379 8.5413 121.4565 57.9063 28.2416 176.8421 95 N 4.9870 8.4755 115.6495 53.4074 39.2663 175.2424 96 C 4.1563 7.4963 115.6037 61.3261 30.5720 175.9620 97 D 4.4246 8.2315 119.2029 57.3260 40.5602 179.5148 98 V 3.6735 7.0924 111.5715 62.5000 31.9289 177.6146 99 G 4.1166 8.1731 104.5365 45.7392 0.0000 173.9950 100 Q 4.0415 8.8248 120.5160 59.6693 28.7683 179.3622 101 T 3.9479 7.9171 115.6922 66.9173 68.7084 176.7608 102 V 3.6241 7.8177 119.5023 65.9934 31.4971 177.0284 103 Y 4.1894 8.3374 119.5547 60.1007 38.3795 177.4170 104 L 4.5686 7.6713 116.6197 54.8330 43.2680 178.3461 105 G 3.8113 8.3263 105.5121 45.8596 0.0000 173.8586 106 M 4.5804 7.2191 119.2148 52.9028 34.1602 173.9998 107 P 4.6052 0.0000 0.0000 62.2464 32.3155 176.6217 108 Y 4.1780 8.8118 120.9007 62.0175 38.4711 178.5328 109 Y 4.4887 8.3132 116.3223 60.2180 38.0616 178.3431 110 G 3.9312 8.5271 107.6833 47.9159 0.0000 176.1289 111 R 4.0943 8.1637 120.4121 58.7383 30.1312 179.0409 112 W 4.4517 8.4053 119.7393 59.1658 29.1600 178.1571 113 L 4.2107 8.6982 120.2376 58.3698 41.6569 178.8687 114 L 4.0838 8.3223 119.0557 58.3600 41.6501 179.7596 115 T 4.1063 8.3391 115.3071 66.2568 68.2710 176.8809 116 A 4.0095 8.2635 122.8846 55.0401 17.9607 179.5353 117 A 4.0327 8.1511 119.4315 55.1257 18.4443 179.8041 118 R 3.8513 8.0887 117.2973 59.7202 30.2202 178.6558 119 I 3.8401 7.8639 118.3087 63.9424 37.8451 177.8067 120 L 4.0992 7.4757 118.7004 57.5912 41.3863 179.5952 121 V 3.9260 7.3979 118.7679 65.3242 31.4037 177.9187 122 D 4.4106 8.4255 117.8208 56.6423 40.6346 177.8750 123 K 4.2095 7.6460 116.4995 55.0677 32.2915 176.3291 124 Q 3.4418 7.5259 116.5220 56.9480 26.7758 175.2534 125 F 4.4906 7.9114 118.4812 59.7421 39.1714 176.5621 126 V 4.6755 7.3704 112.2366 58.8589 35.7780 174.7163 127 T 4.2381 8.7901 113.6596 60.7997 71.3911 175.9017 128 L 3.9036 8.2337 122.6960 58.4103 42.0636 179.1870 129 T 3.8626 7.7775 115.4524 66.6562 68.4357 176.2166 130 E 4.0380 8.2992 120.6301 59.1463 29.4467 179.2726 131 L 3.9377 7.7376 120.1687 58.4581 42.2113 178.6731 132 H 4.2663 8.5554 116.5602 59.1035 28.6042 177.5355 133 N 4.3521 8.6597 118.6376 56.2325 38.2639 177.4181 134 K 3.9554 8.2868 121.0790 59.4628 32.2505 178.9988 135 I 3.6853 7.8985 120.2548 64.2574 36.9711 178.5284 136 V 3.5631 7.7996 119.1671 65.9016 31.3348 177.6243 137 E 3.9199 8.3115 119.1585 59.5972 29.5411 178.7325 138 M 4.0696 8.3028 118.8602 58.5512 31.9573 178.9974 139 R 3.9407 7.9837 118.1790 59.3344 30.1276 179.0466 140 E 3.9738 8.4290 118.5254 59.1807 29.4124 179.2862 141 R 3.8646 8.1749 118.9880 59.3301 30.1608 178.8561 142 V 3.5447 7.7809 117.5964 66.0698 31.4059 177.9024 143 A 4.0626 8.1261 119.7205 54.8085 18.2880 178.8138 144 S 4.4701 8.2168 110.3634 58.3093 63.5151 175.0259 145 G 3.8651 7.7246 110.3852 46.6951 0.0000 174.2300 146 Q 4.1890 8.1338 116.3614 54.9443 28.8461 176.8714 147 G 3.9333 8.4717 106.4045 45.1001 0.0000 173.7982 148 L 4.4852 8.7054 120.2802 53.8576 43.6213 176.5274 149 G 3.7041 8.4145 119.6319 46.6923 0.0000 172.1537 150 E 4.1885 8.2578 120.5683 56.9541 30.5523 177.3783 151 Y 4.4106 7.7590 119.0212 60.3981 38.5705 175.5377 152 L 4.8622 7.6364 121.6227 52.7541 44.8971 173.3624 153 P 4.7390 0.0000 0.0000 61.4576 32.3991 174.4812 154 P 4.5779 0.0000 0.0000 63.1681 31.1827 176.4708 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 3 S 8.19 4.41 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.61 4.13 0.00 4.01 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 5 I 8.45 3.72 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.54 0.89 0.00 0.00 6 R 8.00 3.89 0.00 2.00 2.02 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 7 E 8.37 3.99 0.00 2.19 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 2.35 2.55 0.00 8 E 8.20 3.97 0.00 2.05 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 2.30 2.32 0.00 9 V 7.97 3.54 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.91 0.00 0.00 10 H 8.41 4.30 0.00 3.21 3.33 0.00 5.67 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 11 R 8.18 3.98 0.00 2.11 1.99 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 12 H 8.41 4.10 0.00 3.30 3.49 0.00 5.59 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 13 L 7.95 4.12 0.00 1.83 1.74 0.94 0.82 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 14 G 7.98 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 15 T 8.12 3.94 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 1.19 0.00 0.00 16 V 7.87 3.67 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 0.56 0.00 0.00 0.97 0.00 0.00 17 A 7.66 4.03 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 18 L 7.79 4.03 0.00 1.73 1.74 0.91 0.68 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 19 M 7.45 4.48 0.00 1.99 2.17 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 2.56 2.52 0.00 20 Q 7.28 3.95 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 21 P 0.00 4.36 0.00 2.08 1.97 0.00 3.76 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 2.03 2.08 0.00 22 A 8.07 4.48 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 23 L 8.28 4.33 0.00 1.65 1.67 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.57 4.44 0.00 3.11 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.14 4.38 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 26 Q 8.46 4.08 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.48 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 27 T 8.24 4.57 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 1.27 0.00 0.00 28 H 8.39 4.62 0.00 3.12 3.24 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.09 3.68 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 30 P 0.00 4.35 0.00 2.05 2.02 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 31 A 8.25 4.29 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 32 P 0.00 4.27 0.00 2.20 2.15 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 33 T 7.90 4.13 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 34 E 8.25 4.41 0.00 2.13 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 2.28 2.42 0.00 35 I 7.46 4.38 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 1.14 0.00 0.00 36 T 8.22 4.43 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 1.25 0.00 0.00 37 H 8.65 4.19 0.00 3.27 3.38 0.00 5.88 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 38 T 7.94 3.83 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 39 L 8.01 3.94 0.00 1.98 1.91 1.06 0.96 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 40 F 8.66 4.08 0.00 3.30 3.21 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 41 R 8.46 3.97 0.00 1.84 2.00 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 42 A 7.72 4.01 1.14 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 0.00 0.00 43 Y 8.09 4.25 0.00 2.88 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 44 T 7.47 4.28 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 0.56 0.00 0.00 45 R 6.68 3.96 0.00 1.96 2.13 0.00 3.09 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 46 V 8.02 4.02 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 0.68 0.00 0.00 0.96 0.00 0.00 47 P 0.00 4.06 0.00 1.46 1.84 0.00 3.43 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 1.99 0.00 48 H 6.98 4.42 0.00 3.41 3.36 0.00 5.57 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.72 4.55 0.00 2.67 2.71 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 50 V 7.15 4.71 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 1.30 0.00 0.00 1.00 0.00 0.00 51 G 8.00 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 52 G 8.95 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 53 E 8.11 4.07 0.00 2.18 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 2.33 2.34 0.00 54 A 8.35 4.27 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.16 4.63 0.00 2.62 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 56 V 7.89 4.19 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 0.77 0.00 0.00 0.90 0.00 0.00 57 P 0.00 4.46 0.00 1.97 1.91 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 58 I 7.44 4.36 1.72 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 0.86 -0.04 0.83 0.00 0.00 59 E 8.39 3.99 0.00 1.87 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 2.27 2.29 0.00 60 Y 8.04 4.34 0.00 3.02 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 61 H 8.39 5.06 0.00 3.20 3.25 0.00 5.51 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 62 E 8.47 4.50 0.00 1.97 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 2.26 2.21 0.00 63 K 8.01 4.57 0.00 1.69 1.58 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.39 7.81 64 E 8.65 4.06 0.00 1.95 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 2.26 2.30 0.00 65 E 8.40 4.29 0.00 1.89 1.69 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 2.19 2.24 0.00 66 E 8.79 4.27 0.00 1.18 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 67 I 8.51 3.73 2.15 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 1.70 0.98 0.84 0.00 0.00 68 W 8.29 4.94 0.00 3.54 3.24 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 69 E 7.07 2.95 0.00 1.51 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 70 L 7.41 3.81 0.00 1.75 1.67 0.86 0.62 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 71 N 8.31 4.47 0.00 3.07 3.00 0.00 0.00 7.03 6.33 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 72 T 8.14 4.05 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 1.63 0.00 0.00 73 F 8.20 4.21 0.00 2.82 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 74 A 8.06 3.93 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 75 T 8.22 3.89 4.54 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 0.00 0.00 0.00 1.29 0.00 0.00 76 C 8.56 4.61 0.00 3.58 3.42 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 77 E 8.35 4.12 0.00 1.81 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 78 C 8.66 4.66 0.00 3.25 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 79 L 8.49 3.88 0.00 1.98 1.29 0.59 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.16 5.17 1.53 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 81 W 8.64 4.44 0.00 3.21 3.52 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 82 R 8.06 4.25 0.00 1.68 1.69 0.00 2.95 0.00 0.00 2.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.31 0.00 83 G 8.05 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 0.00 0.00 0.00 84 V 8.04 3.68 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 0.46 0.00 0.00 0.41 0.00 0.00 85 W 7.91 5.14 0.00 3.63 3.15 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 0.00 86 T 8.66 4.79 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 1.26 0.00 0.00 87 A 8.24 3.62 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 88 E 7.95 3.81 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 89 E 7.77 3.94 0.00 2.23 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 0.00 2.36 2.33 0.00 90 R 7.09 2.99 0.00 0.67 1.18 0.00 2.53 0.00 0.00 2.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.68 0.00 91 R 7.74 3.60 0.00 1.85 1.85 0.00 3.33 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.61 0.00 92 R 7.84 3.78 0.00 1.78 2.01 0.00 3.32 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 93 K 7.89 4.22 0.00 2.04 1.92 0.00 1.91 0.00 0.00 2.03 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.51 7.81 94 Q 8.54 4.24 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 95 N 8.48 4.99 0.00 2.75 2.89 0.00 0.00 6.80 7.43 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 96 C 7.50 4.16 0.00 3.01 2.71 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 97 D 8.23 4.42 0.00 2.92 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 98 V 7.09 3.67 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 0.80 0.00 0.00 1.10 0.00 0.00 99 G 8.17 4.12 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 0.00 100 Q 8.82 4.04 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 101 T 7.92 3.95 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 1.25 0.00 0.00 102 V 7.82 3.62 2.33 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 1.11 0.00 0.00 0.98 0.00 0.00 103 Y 8.34 4.19 0.00 3.28 3.21 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 0.00 104 L 7.67 4.57 0.00 1.68 1.69 1.03 0.77 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 0.00 105 G 8.33 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 0.00 106 M 7.22 4.58 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 107 P 0.00 4.61 0.00 2.47 2.14 0.00 3.79 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 2.31 2.19 0.00 108 Y 8.81 4.18 0.00 2.98 2.86 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 0.00 109 Y 8.31 4.49 0.00 2.99 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 0.00 110 G 8.53 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 0.00 111 R 8.16 4.09 0.00 2.08 2.06 0.00 3.27 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 1.74 1.94 0.00 112 W 8.41 4.45 0.00 3.83 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 0.00 113 L 8.70 4.21 0.00 2.18 2.07 1.07 0.40 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 0.00 114 L 8.32 4.08 0.00 1.83 1.78 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.34 4.11 4.57 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 1.43 0.00 0.00 116 A 8.26 4.01 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.15 4.03 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 0.00 118 R 8.09 3.85 0.00 2.16 2.21 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 119 I 7.86 3.84 1.55 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.93 0.09 0.00 0.00 120 L 7.48 4.10 0.00 1.92 1.72 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.40 3.93 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 1.24 0.00 0.00 0.94 0.00 0.00 122 D 8.43 4.41 0.00 2.71 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 0.00 123 K 7.65 4.21 0.00 1.83 1.26 0.00 2.08 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.46 7.81 124 Q 7.53 3.44 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 7.03 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 125 F 7.91 4.49 0.00 3.16 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 0.00 126 V 7.37 4.68 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 0.92 0.00 0.00 0.95 0.00 0.00 127 T 8.79 4.24 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 1.19 0.00 0.00 128 L 8.23 3.90 0.00 1.70 1.61 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.78 3.86 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 1.21 0.00 0.00 130 E 8.30 4.04 0.00 2.16 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 2.32 2.31 0.00 131 L 7.74 3.94 0.00 1.77 1.78 0.93 0.96 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 0.00 132 H 8.56 4.27 0.00 3.31 3.30 0.00 5.69 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 0.00 133 N 8.66 4.35 0.00 2.88 2.87 0.00 0.00 6.70 7.84 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 0.00 134 K 8.29 3.96 0.00 1.97 1.97 0.00 1.53 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 135 I 7.90 3.69 2.03 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 1.40 0.52 0.89 0.00 0.00 136 V 7.80 3.56 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 0.99 0.00 0.00 0.98 0.00 0.00 137 E 8.31 3.92 0.00 2.17 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 0.00 2.31 2.36 0.00 138 M 8.30 4.07 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.97 0.00 139 R 7.98 3.94 0.00 2.02 1.96 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 140 E 8.43 3.97 0.00 2.15 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 2.33 2.55 0.00 141 R 8.17 3.86 0.00 2.06 2.07 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 142 V 7.78 3.54 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 0.96 0.00 0.00 1.00 0.00 0.00 143 A 8.13 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 0.00 144 S 8.22 4.47 0.00 4.03 4.04 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 0.00 0.00 0.00 145 G 7.72 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.13 4.19 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 147 G 8.47 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 0.00 148 L 8.71 4.49 0.00 1.70 1.65 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.41 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 0.00 150 E 8.26 4.19 0.00 1.93 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 1.64 1.81 0.00 151 Y 7.76 4.41 0.00 3.26 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 0.00 152 L 7.64 4.86 0.00 1.75 1.60 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.74 0.00 2.23 2.04 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 154 P 0.00 4.58 0.00 2.07 2.02 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00