NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4683 8.3044 120.3293 55.4577 34.5838 176.0093 2 S 4.0485 7.9907 118.5012 58.6513 63.3094 173.2400 3 I 4.1685 8.3108 114.0280 60.2270 40.6040 174.1650 4 S 3.7672 8.7217 113.4836 59.9819 58.8101 170.8028 5 T 4.2383 9.0594 114.1446 61.1835 71.3404 175.4026 6 S 4.2173 8.6366 116.0598 61.6584 62.6068 176.8623 7 A 4.0508 7.9580 122.8846 55.3555 18.2691 179.3137 8 E 3.9775 7.7815 116.4687 59.4717 29.4223 179.7893 9 V 3.5658 8.2240 118.5411 66.4763 31.5951 177.8416 10 Y 4.0234 8.3637 116.4744 61.0423 37.5750 177.8973 11 Y 3.9914 8.4568 120.9031 60.6162 38.8245 177.7241 12 E 3.8934 8.4392 120.3917 59.2735 29.7680 178.6609 13 E 3.9348 8.4643 118.7328 59.0380 29.4442 179.1920 14 A 3.6804 7.9514 121.2861 55.0716 18.2893 179.4644 15 E 3.8603 7.9378 117.1924 59.4255 29.2369 179.4024 16 E 3.9212 8.1085 117.7197 59.7621 30.0189 179.3138 17 F 4.0459 8.4925 117.6230 60.1529 38.2598 177.5531 18 L 4.0542 8.6505 120.5924 58.0877 41.7168 178.5898 19 S 4.3112 7.8507 112.3184 59.4118 63.2073 175.7933 20 K 4.0729 7.5680 122.4811 58.2993 32.0345 176.4630 21 G 3.6466 6.5859 105.6108 44.9431 0.0000 172.8556 22 D 4.8463 7.8582 119.7404 52.1007 42.4831 175.9440 23 L 4.3102 8.4782 127.7184 57.1549 41.9031 179.5482 24 V 3.5010 7.7867 118.0987 66.2894 31.7347 178.0642 25 Q 4.0251 9.3620 117.8533 58.7078 28.4865 178.6856 26 A 4.0289 7.7048 122.2798 55.2324 18.3038 179.4461 27 C 4.5335 8.1211 115.1369 62.9156 28.1416 175.8954 28 E 4.0236 7.9294 119.8329 59.1506 29.1224 179.0168 29 K 4.2309 7.9718 118.2340 59.3758 32.2283 178.7635 30 Y 4.3176 8.0733 117.1869 61.2478 37.7445 177.9993 31 Y 4.1772 8.4994 120.5686 60.9300 38.9311 178.4397 32 K 3.7382 8.3782 118.9751 58.9437 32.0031 179.3251 33 A 4.0011 8.4734 121.6822 55.0748 18.2805 179.5520 34 A 4.0227 8.2148 119.4082 55.0444 18.4050 179.3159 35 E 3.6331 8.3998 118.2339 59.5713 29.6644 178.9513 36 E 3.6921 8.1645 118.2373 59.2888 29.4475 179.1679 37 A 3.9417 7.8478 120.6621 55.1944 18.3834 179.7143 38 I 3.4379 7.6666 118.1971 64.3919 36.6224 178.6542 39 K 3.2534 7.7055 119.2697 59.2801 31.6779 179.2989 40 L 3.9099 8.0253 119.3922 57.8712 41.5350 179.6839 41 L 3.9655 7.9771 119.0139 57.5232 41.4347 179.5249 42 V 3.6054 8.1490 118.7860 66.2248 31.2328 178.2869 43 I 3.7608 7.4845 118.5557 64.2510 36.7749 178.0645 44 E 3.9220 8.1142 119.4269 59.4367 29.4866 177.6673 45 N 4.4430 8.6465 113.4995 53.4618 39.0511 173.9603 46 N 4.1007 7.3662 117.7194 54.3699 37.1620 174.2419 47 L 4.4604 8.3298 123.2317 52.5081 39.9630 176.1192 48 K 4.4673 7.8975 124.9880 58.9206 32.4257 177.6036 49 E 4.0362 8.1176 118.0580 58.8073 29.3908 178.9709 50 I 3.7582 7.4781 119.9767 64.0141 37.5379 178.0906 51 T 3.6415 7.9278 110.7151 64.6557 68.3790 176.3571 52 N 4.2457 8.2285 118.9795 56.3340 38.9770 176.7559 53 N 4.4463 7.6104 117.6797 55.8422 38.6743 177.5420 54 V 3.6854 7.4184 119.9553 63.4594 31.5640 178.2108 55 K 3.8838 7.9950 120.1506 59.0376 31.9539 177.7969 56 N 4.3959 7.4887 116.0181 56.2647 39.1730 174.5840 57 K 4.4533 7.6764 118.8051 55.1271 34.3216 175.7656 58 G 3.9310 8.4335 106.2677 46.2154 0.0000 172.9011 59 R 4.7648 7.4156 117.9233 54.3222 33.5823 173.8074 60 W 4.3719 8.8344 119.6421 56.1039 30.0479 176.5014 61 K 4.8507 8.3533 121.0883 53.8272 36.0651 177.1767 62 S 4.4463 8.7967 119.3887 61.9801 62.8592 176.7337 63 E 3.9547 8.2357 121.1408 58.4378 29.3882 178.3782 64 N 4.3102 8.1001 118.0013 56.6516 39.1267 176.6931 65 L 3.9851 8.2505 120.4918 57.6625 41.6080 179.2578 66 F 4.1208 8.5695 120.9579 61.0535 38.9389 177.1213 67 K 3.9125 8.6203 119.5498 59.4072 31.7811 178.6602 68 A 3.9475 7.7511 120.0006 55.3673 18.3983 179.5972 69 S 4.0251 7.6910 112.3680 61.0592 62.8515 176.6141 70 K 3.8585 7.5536 121.0653 61.0832 32.6333 178.1499 71 L 4.2936 7.7119 120.4871 55.1060 44.3669 178.2565 72 L 3.6029 8.4442 123.8445 56.4249 39.1950 176.2432 73 R 4.1876 7.3317 119.7032 58.5077 30.0975 178.4053 74 S 4.1829 8.0036 112.0732 60.0376 63.2189 173.7631 75 N 4.7061 7.4043 117.7399 54.3166 39.8622 174.1373 76 N 4.8216 8.3142 115.9928 52.0750 41.9017 174.9590 77 T 3.9802 8.4827 119.7395 64.2249 68.0536 174.9393 78 E 4.2195 8.7179 120.5133 57.8909 30.3351 178.4134 79 I 3.6228 7.9148 120.6175 64.1269 37.0975 176.0489 80 P 4.2171 0.0000 0.0000 65.9596 30.9138 178.4681 81 I 3.7698 7.6261 118.9973 64.1008 37.1671 178.2193 82 L 4.0259 8.5271 120.1879 57.5355 41.4924 179.3345 83 W 4.4096 8.3554 128.3253 60.5597 30.6815 177.9450 84 K 4.3073 8.3747 119.5715 59.6073 31.3819 179.0344 85 S 4.1800 8.1891 114.8757 61.4816 62.8742 176.1499 86 A 4.1762 8.2549 123.5892 54.7574 18.1250 179.2719 87 W 3.9705 8.5143 127.3564 61.0403 30.6175 178.1962 88 T 3.7955 8.0302 115.4517 66.7270 67.6587 176.4391 89 L 3.8928 7.3138 119.7014 57.9114 41.6564 178.6250 90 H 4.0970 7.5215 116.6026 58.4699 29.9142 176.4547 91 V 3.4025 7.2344 120.5618 65.5116 31.4495 176.5560 92 E 4.3986 8.1454 118.1454 56.3240 29.4843 177.8449 93 G 3.5831 7.7361 110.9788 47.7300 0.0000 175.7271 94 F 4.0238 8.8119 118.6006 58.9508 37.9061 174.7216 95 H 4.5405 7.9119 124.2358 56.0839 29.8477 175.5353 96 E 4.1820 7.6449 118.2167 54.3609 28.0554 174.2637 97 L 4.0867 7.9257 124.8025 56.2690 40.8278 177.9222 98 S 4.7070 8.0132 124.4024 57.1816 62.7860 175.8050 99 L 4.1737 7.5621 119.9129 54.5029 42.2785 177.9257 100 N 4.8298 8.3850 121.4401 51.8842 41.5426 175.7955 101 E 3.9630 8.5841 122.3579 59.0476 28.1139 178.7703 102 K 3.7876 8.1244 119.5602 59.8845 32.1437 178.3348 103 E 4.2376 8.0701 117.9806 59.1390 29.4998 179.1506 104 V 3.4728 7.5466 117.9163 65.9903 31.2511 178.1514 105 K 3.9625 8.6113 118.4165 59.3684 31.8154 179.4438 106 K 3.9249 7.5105 117.5877 59.5446 32.1075 179.4503 107 L 4.0137 7.9407 119.1202 57.6179 41.4451 179.5891 108 K 3.7262 8.4858 119.9871 59.5206 32.0986 178.7901 109 E 4.0220 7.7921 118.5712 59.3927 29.2392 179.0888 110 D 4.3560 8.1723 119.0901 57.3701 40.8798 179.0047 111 V 3.6901 8.6257 119.2335 65.8445 31.5642 177.9919 112 R 3.8183 8.2718 118.8113 59.0882 29.8110 178.6482 113 K 3.9446 7.9325 118.3033 59.4262 32.0886 179.2106 114 L 3.9810 7.5345 119.1289 57.7984 41.6060 179.8020 115 V 3.5224 8.0879 118.3697 66.2692 31.5747 178.1992 116 I 3.6911 7.5345 118.9094 64.0055 36.7546 178.4228 117 F 4.0543 8.1790 121.5152 61.3017 39.3717 177.1768 118 A 3.8624 8.4776 120.8973 55.1932 18.1008 179.8158 119 V 3.5398 7.9231 116.7697 65.8931 31.3569 177.6461 120 N 4.3688 7.7450 115.7720 56.0041 38.8462 176.6336 121 S 4.0898 7.6220 115.8946 60.6632 63.1398 175.7210 122 L 4.0449 7.8457 123.3038 55.7875 41.6360 177.8247 123 E 3.8159 8.2260 115.2262 57.1076 27.6465 174.1658 124 H 4.6142 7.4774 115.7782 55.5755 28.1638 172.9257 125 H 4.5057 8.2079 130.8545 56.0371 33.0519 174.0135 126 H 4.4720 7.7320 114.0533 55.5800 31.9882 174.1269 127 H 4.4175 8.6830 121.8151 54.9334 26.4207 173.0311 128 H 4.4158 7.5907 124.1914 56.7052 32.5379 173.8974 129 H 4.5081 8.6209 122.6097 56.1649 28.6545 175.1265 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 8.30 4.47 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 S 7.99 4.05 0.00 3.96 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 3 I 8.31 4.17 1.94 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 1.44 0.79 1.04 0.00 0.00 4 S 8.72 3.77 0.00 4.07 4.01 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 5 T 9.06 4.24 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 1.23 0.00 0.00 6 S 8.64 4.22 0.00 4.01 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 7 A 7.96 4.05 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 8 E 7.78 3.98 0.00 2.42 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 0.00 2.32 2.32 0.00 9 V 8.22 3.57 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 0.89 0.00 0.00 1.05 0.00 0.00 10 Y 8.36 4.02 0.00 3.22 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 11 Y 8.46 3.99 0.00 3.23 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 12 E 8.44 3.89 0.00 2.25 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 2.30 2.36 0.00 13 E 8.46 3.93 0.00 2.04 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 2.22 2.43 0.00 14 A 7.95 3.68 0.31 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 15 E 7.94 3.86 0.00 2.05 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 2.07 2.29 0.00 16 E 8.11 3.92 0.00 2.24 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 2.35 2.53 0.00 17 F 8.49 4.05 0.00 3.13 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 18 L 8.65 4.05 0.00 1.94 1.89 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.85 4.31 0.00 3.88 3.88 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 20 K 7.57 4.07 0.00 1.72 1.70 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.97 1.27 7.81 21 G 6.59 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 22 D 7.86 4.85 0.00 2.65 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 23 L 8.48 4.31 0.00 1.77 1.75 0.94 0.89 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 24 V 7.79 3.50 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 1.02 0.00 0.00 0.95 0.00 0.00 25 Q 9.36 4.03 0.00 2.32 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 26 A 7.70 4.03 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 27 C 8.12 4.53 0.00 3.25 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.93 4.02 0.00 2.10 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 2.38 2.40 0.00 29 K 7.97 4.23 0.00 1.89 2.01 0.00 1.61 0.00 0.00 1.55 0.00 0.00 3.17 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.87 7.81 30 Y 8.07 4.32 0.00 3.30 3.04 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 31 Y 8.50 4.18 0.00 3.05 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.38 3.74 0.00 1.55 1.06 0.00 1.73 0.00 0.00 1.42 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.67 7.81 33 A 8.47 4.00 1.61 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 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.21 4.02 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 3.63 0.00 2.02 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 2.13 2.36 0.00 36 E 8.16 3.69 0.00 2.09 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 2.35 2.42 0.00 37 A 7.85 3.94 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 38 I 7.67 3.44 1.48 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 -0.15 0.46 0.00 0.00 39 K 7.71 3.25 0.00 1.54 1.04 0.00 1.26 0.00 0.00 1.33 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.08 7.81 40 L 8.03 3.91 0.00 1.86 1.64 0.82 0.44 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 41 L 7.98 3.97 0.00 1.80 1.75 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.15 3.61 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 1.42 0.00 0.00 1.11 0.00 0.00 43 I 7.48 3.76 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.85 0.93 0.00 0.00 44 E 8.11 3.92 0.00 2.06 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 2.27 2.33 0.00 45 N 8.65 4.44 0.00 2.88 2.86 0.00 0.00 7.08 8.24 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 46 N 7.37 4.10 0.00 2.81 2.83 0.00 0.00 7.10 7.60 0.00 0.00 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 L 8.33 4.46 0.00 1.74 1.59 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.90 4.47 0.00 1.80 1.79 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.37 7.81 49 E 8.12 4.04 0.00 1.99 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 2.38 2.32 0.00 50 I 7.48 3.76 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.03 0.87 0.00 0.00 51 T 7.93 3.64 4.14 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 1.16 0.00 0.00 52 N 8.23 4.25 0.00 2.78 2.88 0.00 0.00 7.12 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 7.61 4.45 0.00 2.90 2.77 0.00 0.00 7.02 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 54 V 7.42 3.69 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 -0.02 0.00 0.00 0.19 0.00 0.00 55 K 7.99 3.88 0.00 1.83 1.98 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.39 7.81 56 N 7.49 4.40 0.00 2.81 2.92 0.00 0.00 7.11 6.54 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 57 K 7.68 4.45 0.00 1.94 1.74 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.50 7.81 58 G 8.43 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 59 R 7.42 4.76 0.00 1.76 1.88 0.00 3.39 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 60 W 8.83 4.37 0.00 3.28 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 61 K 8.35 4.85 0.00 1.87 1.66 0.00 1.73 0.00 0.00 1.94 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.83 7.81 62 S 8.80 4.45 0.00 4.34 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.24 3.95 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 64 N 8.10 4.31 0.00 2.77 3.16 0.00 0.00 7.15 6.71 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 65 L 8.25 3.99 0.00 2.07 1.23 1.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.57 4.12 0.00 3.21 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 67 K 8.62 3.91 0.00 2.09 1.84 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.62 7.81 68 A 7.75 3.95 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 69 S 7.69 4.03 0.00 3.59 3.73 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 70 K 7.55 3.86 0.00 1.73 1.78 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.11 1.60 7.81 71 L 7.71 4.29 0.00 1.77 1.56 0.89 0.50 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 72 L 8.44 3.60 0.00 1.80 1.72 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.33 4.19 0.00 1.88 1.89 0.00 3.27 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 74 S 8.00 4.18 0.00 3.89 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 75 N 7.40 4.71 0.00 2.74 2.90 0.00 0.00 7.22 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 76 N 8.31 4.82 0.00 2.35 2.32 0.00 0.00 6.54 6.71 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 77 T 8.48 3.98 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 1.18 0.00 0.00 78 E 8.72 4.22 0.00 2.11 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 2.29 2.23 0.00 79 I 7.91 3.62 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.86 0.85 0.00 0.00 80 P 0.00 4.22 0.00 2.17 2.25 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 81 I 7.63 3.77 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.56 0.94 0.00 0.00 82 L 8.53 4.03 0.00 1.72 1.79 0.97 0.86 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 83 W 8.36 4.41 0.00 3.36 3.04 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 84 K 8.37 4.31 0.00 2.23 2.06 0.00 1.83 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.78 1.90 7.81 85 S 8.19 4.18 0.00 4.11 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 86 A 8.25 4.18 1.49 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 87 W 8.51 3.97 0.00 3.13 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 88 T 8.03 3.80 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 1.19 0.00 0.00 89 L 7.31 3.89 0.00 1.64 1.67 0.93 1.01 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 90 H 7.52 4.10 0.00 2.48 2.56 0.00 5.73 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.23 3.40 1.74 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 0.73 0.00 0.00 -0.09 0.00 0.00 92 E 8.15 4.40 0.00 2.02 1.87 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 2.24 2.33 0.00 93 G 7.74 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.81 4.02 0.00 3.05 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 95 H 7.91 4.54 0.00 3.02 3.23 0.00 5.80 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 96 E 7.64 4.18 0.00 2.13 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 2.64 2.50 0.00 97 L 7.93 4.09 0.00 1.62 1.68 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.01 4.71 0.00 3.82 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 99 L 7.56 4.17 0.00 1.64 1.63 0.90 1.12 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 0.00 100 N 8.39 4.83 0.00 2.71 2.71 0.00 0.00 6.71 7.65 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 0.00 101 E 8.58 3.96 0.00 2.04 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 2.37 2.37 0.00 102 K 8.12 3.79 0.00 1.89 1.80 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.60 7.81 103 E 8.07 4.24 0.00 2.12 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 2.38 2.28 0.00 104 V 7.55 3.47 2.18 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 0.80 0.00 0.00 0.99 0.00 0.00 105 K 8.61 3.96 0.00 1.92 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.65 7.81 106 K 7.51 3.92 0.00 1.96 1.83 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 107 L 7.94 4.01 0.00 1.58 1.66 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.49 3.73 0.00 1.43 1.73 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.56 1.62 7.81 109 E 7.79 4.02 0.00 2.24 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 2.47 2.50 0.00 110 D 8.17 4.36 0.00 2.86 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 0.00 111 V 8.63 3.69 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 1.31 0.00 0.00 1.16 0.00 0.00 112 R 8.27 3.82 0.00 2.31 2.12 0.00 3.31 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 113 K 7.93 3.94 0.00 2.05 1.79 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.79 7.81 114 L 7.53 3.98 0.00 1.90 1.75 0.98 0.93 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 0.00 115 V 8.09 3.52 1.87 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 0.88 0.00 0.00 0.95 0.00 0.00 116 I 7.53 3.69 1.96 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 1.34 0.72 0.92 0.00 0.00 117 F 8.18 4.05 0.00 3.26 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 0.00 118 A 8.48 3.86 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 0.00 119 V 7.92 3.54 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 1.01 0.00 0.00 0.97 0.00 0.00 120 N 7.74 4.37 0.00 2.94 2.72 0.00 0.00 7.25 7.77 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 0.00 121 S 7.62 4.09 0.00 3.79 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 0.00 122 L 7.85 4.04 0.00 1.89 1.76 0.85 0.67 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 0.00 123 E 8.23 3.82 0.00 2.17 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 2.38 2.31 0.00 124 H 7.48 4.61 0.00 3.16 3.31 0.00 5.73 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.21 4.51 0.00 3.06 3.27 0.00 5.77 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 0.00 126 H 7.73 4.47 0.00 2.88 3.04 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.68 4.42 0.00 3.22 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 7.59 4.42 0.00 2.97 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 H 8.62 4.51 0.00 3.08 3.09 0.00 5.80 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