NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4607 8.2893 118.1892 55.7666 32.4320 174.5345 2 H 4.7790 8.1863 110.6862 53.2445 29.0471 170.8947 3 H 4.9179 7.4645 114.6316 55.1413 32.3367 172.3966 4 H 4.9348 7.9602 113.7091 54.4744 31.3812 171.7323 5 H 4.9157 8.2261 115.5342 54.9899 32.5886 172.9045 6 H 4.9320 8.2747 114.8052 55.8574 30.2488 173.8737 7 H 4.4028 8.2465 116.2710 56.3247 29.0196 174.5456 8 G 4.0499 7.7574 108.6422 45.7338 0.0000 172.6559 9 K 4.6493 8.3176 117.4047 53.6794 35.8620 174.9234 10 P 4.5667 0.0000 0.0000 61.7583 32.2746 176.0723 11 I 3.8474 7.9609 112.5442 60.0129 37.9098 173.9488 12 P 4.5397 0.0000 0.0000 62.5737 32.1135 174.7675 13 N 5.0467 8.1841 116.3109 50.9414 41.5680 173.3725 14 P 4.6724 0.0000 0.0000 62.5830 29.1007 175.5532 15 L 4.8135 7.6418 123.3815 54.8018 43.4894 176.7758 16 L 3.9830 8.2925 118.6818 54.4749 42.0320 177.5826 17 G 3.8485 8.0286 109.0192 45.6482 0.0000 170.9665 18 L 3.9719 8.3784 121.7637 55.7439 42.1310 176.9720 19 D 4.8066 8.5860 121.9258 53.7890 43.1258 174.4532 20 S 4.7562 7.7957 112.2032 57.7551 66.8688 172.5983 21 T 4.7668 8.0977 111.2756 60.6303 72.0368 172.6924 22 E 4.6810 8.3618 118.8358 56.0529 30.2008 175.9565 23 N 4.5367 8.3971 113.6698 53.4548 39.1958 174.4878 24 L 4.0485 7.2167 119.0424 56.5832 42.4313 175.4606 25 Y 4.9663 8.3106 125.0907 56.5787 41.9338 173.1288 26 F 4.6246 7.0005 124.4057 57.0767 42.4856 173.1274 27 Q 4.1275 5.9654 124.2592 53.9196 31.9270 174.2864 28 G 4.0835 7.8363 112.7691 45.7088 0.0000 172.0575 29 I 4.5216 7.8630 120.7230 59.2910 40.6216 174.0785 30 D 4.6297 8.6283 124.7985 53.9788 41.4740 175.2970 31 P 4.6497 0.0000 0.0000 63.3559 31.3881 177.8772 32 F 4.2475 8.1571 116.3847 60.9508 36.8695 177.5568 33 T 3.4386 6.6404 109.3782 64.1157 68.3870 175.2797 34 M 4.2068 7.9205 119.5766 56.5742 32.5910 178.0185 35 S 4.1252 7.8714 115.1745 62.1087 62.9418 176.3616 36 T 3.9090 8.1973 118.6137 66.3895 68.1594 176.5264 37 L 3.9596 7.4557 120.0718 58.1962 41.6336 179.7731 38 Q 4.1368 8.3269 117.9516 58.6529 28.4850 178.5322 39 E 3.9845 8.1840 120.5221 59.3083 29.8060 178.6151 40 L 4.0242 8.2548 120.6613 57.8604 42.2038 178.4911 41 Q 4.1846 8.6614 119.9933 58.8352 28.9223 177.7467 42 E 3.9870 7.9084 119.3534 58.9046 29.6381 178.1218 43 N 4.2998 8.4556 117.6201 56.6815 38.9769 176.4761 44 I 3.6823 8.2089 121.5178 65.1866 37.2256 178.4725 45 T 3.8910 7.8299 115.3505 66.5688 68.2960 176.8349 46 A 4.0097 8.5228 123.1869 55.3819 18.4173 179.1426 47 H 4.3667 8.7513 116.7041 58.7022 29.8779 177.3816 48 E 4.0159 8.5257 121.2958 59.5266 29.3660 178.9787 49 Q 4.1158 8.4774 118.5117 59.0229 28.6912 178.7937 50 Q 3.9841 8.6179 119.3437 58.3055 28.5438 178.4821 51 L 3.9669 7.5773 121.6494 57.9785 42.1225 179.1350 52 V 3.6249 8.2875 112.7354 64.8129 31.3999 178.7591 53 T 3.8608 8.3316 115.6071 66.5093 68.1995 176.6635 54 A 3.8938 8.2167 123.1414 55.0730 18.2474 179.9166 55 R 3.8324 8.2676 117.0480 59.5980 30.2199 179.1161 56 Q 3.9840 8.3551 119.5931 58.9685 29.0018 178.3980 57 K 4.0468 8.7818 120.5875 59.1228 32.0631 179.3169 58 L 4.0528 8.2534 120.7490 58.5950 40.2963 179.4995 59 K 3.9929 8.4848 120.1768 59.7681 31.9680 178.6700 60 D 4.3029 8.3551 118.8088 56.6607 41.0913 177.8790 61 A 4.1289 8.0856 121.4860 54.6826 18.4965 179.4112 62 E 3.9194 8.5786 117.8845 59.3995 29.7139 179.3233 63 K 3.9387 8.5161 119.6167 58.9185 32.0176 178.7410 64 A 4.1314 7.5708 120.8042 54.9817 18.4238 179.9001 65 V 3.6040 7.5708 115.9736 64.2294 31.4121 177.9403 66 E 4.0405 8.0936 120.0358 59.3862 29.6159 178.5296 67 V 4.0817 7.0708 109.4709 62.7566 33.3153 176.6311 68 D 4.7208 8.1167 117.4140 52.2290 42.5102 173.9753 69 P 4.6186 0.0000 0.0000 62.1781 30.2637 177.4013 70 D 4.5739 7.6134 118.6061 54.5652 42.2783 177.7504 71 D 4.3605 8.7285 121.0730 57.3233 40.9357 179.2879 72 V 3.6411 7.7236 119.5146 64.9609 31.4112 178.0209 73 N 3.9111 8.3378 117.0839 55.4892 38.1860 177.5838 74 K 4.0523 7.9565 119.8848 59.3509 32.3365 179.3514 75 S 4.1851 8.1733 115.5415 61.7780 62.7667 176.8035 76 T 3.9091 8.7678 119.4746 66.1176 68.0675 176.5165 77 L 3.9199 7.6116 122.4371 58.4272 42.2623 179.0967 78 Q 4.2490 7.8086 117.5863 58.6949 28.5158 178.6623 79 N 4.3076 8.3035 118.4242 56.7309 39.0693 177.2666 80 R 3.9263 8.0611 119.5264 59.2614 30.2062 179.0658 81 R 3.9149 8.6768 118.5396 59.1612 29.9124 178.4256 82 A 4.0413 7.9883 120.7005 54.6325 18.3519 179.5040 83 A 3.8888 7.9581 119.5549 55.4086 18.5312 179.7349 84 V 3.5651 7.8359 116.8121 66.5187 31.3697 178.2214 85 S 4.1742 8.1715 112.5955 61.4076 62.1230 176.0141 86 T 3.8713 8.2335 118.9191 66.8361 68.2443 176.4224 87 L 4.0463 8.4049 120.8553 57.9245 41.6544 179.6154 88 E 3.9938 8.7023 118.8802 59.5688 29.4269 179.3884 89 T 3.8466 8.1091 115.9721 66.6358 68.5142 176.0594 90 K 3.8170 8.3494 121.6226 60.0205 32.1936 178.7616 91 L 4.1524 8.6148 119.4015 57.3368 41.5105 180.0175 92 G 3.5533 8.2962 106.3489 47.8114 0.0000 175.7203 93 E 4.0232 8.2793 120.8109 58.6208 29.3745 179.0809 94 L 3.8969 8.5983 121.6495 58.1148 42.2536 179.0934 95 K 3.9719 8.3630 118.7299 59.2942 31.8823 179.3726 96 R 3.9063 8.1591 119.2667 59.1554 30.0073 178.3266 97 Q 3.9936 8.2430 118.2271 58.9394 28.6620 178.8930 98 L 3.9035 8.2499 119.8693 57.9638 41.3855 179.5351 99 A 3.8871 8.2334 120.5260 54.8843 17.9185 179.2325 100 D 4.1254 7.8918 116.0997 57.2153 41.7109 177.9051 101 L 4.0875 8.2869 119.8656 58.0485 41.8233 179.8705 102 V 3.7919 8.7355 119.3555 65.3359 31.3416 177.4026 103 A 4.2371 7.3717 116.0833 53.1943 18.4613 177.3255 104 A 4.6080 8.0128 120.1063 51.7415 21.1095 178.6496 105 Q 4.0485 7.8533 113.8530 58.5829 28.8994 178.9799 106 K 4.0181 8.0246 117.7036 59.1772 32.3690 176.6597 107 L 4.1663 7.5005 122.1687 54.9416 41.5156 176.5603 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.46 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 2 H 8.19 4.78 0.00 3.29 3.37 0.00 5.70 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 7.46 4.92 0.00 3.05 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 7.96 4.93 0.00 3.10 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.23 4.92 0.00 3.04 2.96 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.27 4.93 0.00 3.07 3.24 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.25 4.40 0.00 3.16 3.22 0.00 5.74 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 8 G 7.76 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 0.00 0.00 0.00 9 K 8.32 4.65 0.00 1.69 1.66 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.41 7.81 10 P 0.00 4.57 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 11 I 7.96 3.85 1.87 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 1.47 0.60 0.91 0.00 0.00 12 P 0.00 4.54 0.00 2.20 2.12 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 13 N 8.18 5.05 0.00 2.65 2.68 0.00 0.00 6.99 7.69 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 14 P 0.00 4.67 0.00 2.22 2.07 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 15 L 7.64 4.81 0.00 1.60 1.64 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.29 3.98 0.00 1.63 1.63 0.92 0.91 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 17 G 8.03 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 18 L 8.38 3.97 0.00 1.60 1.61 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.59 4.81 0.00 2.59 2.56 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 20 S 7.80 4.76 0.00 3.83 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.10 4.77 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 22 E 8.36 4.68 0.00 1.98 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 2.28 2.27 0.00 23 N 8.40 4.54 0.00 2.72 2.83 0.00 0.00 7.14 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.22 4.05 0.00 1.81 1.64 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.31 4.97 0.00 2.90 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.00 4.62 0.00 2.80 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 27 Q 5.97 4.13 0.00 1.64 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 28 G 7.84 4.08 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 0.00 0.00 0.00 29 I 7.86 4.52 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.75 0.92 0.00 0.00 30 D 8.63 4.63 0.00 2.98 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 31 P 0.00 4.65 0.00 2.27 2.28 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 32 F 8.16 4.25 0.00 3.30 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 33 T 6.64 3.44 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 0.31 0.00 0.00 34 M 7.92 4.21 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 35 S 7.87 4.13 0.00 4.10 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 36 T 8.20 3.91 4.48 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 1.21 0.00 0.00 37 L 7.46 3.96 0.00 1.76 1.70 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.33 4.14 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 39 E 8.18 3.98 0.00 2.11 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 2.32 2.36 0.00 40 L 8.25 4.02 0.00 1.94 1.65 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.66 4.18 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 42 E 7.91 3.99 0.00 2.22 2.21 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 2.31 2.36 0.00 43 N 8.46 4.30 0.00 2.97 2.88 0.00 0.00 7.58 7.59 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 44 I 8.21 3.68 2.10 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 1.54 0.78 0.92 0.00 0.00 45 T 7.83 3.89 4.47 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 1.21 0.00 0.00 46 A 8.52 4.01 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 47 H 8.75 4.37 0.00 3.36 3.32 0.00 5.78 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.53 4.02 0.00 2.24 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 2.34 2.53 0.00 49 Q 8.48 4.12 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 50 Q 8.62 3.98 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 51 L 7.58 3.97 0.00 1.82 1.82 0.97 1.44 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 52 V 8.29 3.62 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 0.78 0.00 0.00 1.00 0.00 0.00 53 T 8.33 3.86 4.39 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 1.20 0.00 0.00 54 A 8.22 3.89 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.27 3.83 0.00 1.90 1.99 0.00 3.31 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 56 Q 8.36 3.98 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 57 K 8.78 4.05 0.00 1.90 1.83 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.58 7.81 58 L 8.25 4.05 0.00 1.82 2.07 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.48 3.99 0.00 2.02 2.25 0.00 1.19 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.67 7.81 60 D 8.36 4.30 0.00 2.92 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 61 A 8.09 4.13 1.38 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 0.00 0.00 62 E 8.58 3.92 0.00 2.17 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 2.33 2.49 0.00 63 K 8.52 3.94 0.00 1.93 1.91 0.00 1.51 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 64 A 7.57 4.13 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 65 V 7.57 3.60 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 0.80 0.00 0.00 0.93 0.00 0.00 66 E 8.09 4.04 0.00 1.97 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 0.00 2.32 2.39 0.00 67 V 7.07 4.08 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 0.79 0.00 0.00 1.01 0.00 0.00 68 D 8.12 4.72 0.00 2.54 2.51 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 69 P 0.00 4.62 0.00 2.21 2.21 0.00 3.81 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 1.99 2.05 0.00 70 D 7.61 4.57 0.00 2.73 2.62 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 0.00 0.00 0.00 71 D 8.73 4.36 0.00 2.78 2.67 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 0.00 0.00 0.00 0.00 72 V 7.72 3.64 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 0.79 0.00 0.00 0.93 0.00 0.00 73 N 8.34 3.91 0.00 2.88 2.98 0.00 0.00 7.38 6.56 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 74 K 7.96 4.05 0.00 1.80 1.84 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.68 7.81 75 S 8.17 4.19 0.00 4.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.77 3.91 4.37 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 1.21 0.00 0.00 77 L 7.61 3.92 0.00 1.76 1.80 0.92 1.12 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 78 Q 7.81 4.25 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 79 N 8.30 4.31 0.00 2.82 2.90 0.00 0.00 7.07 7.26 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 80 R 8.06 3.93 0.00 2.02 2.01 0.00 3.34 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 81 R 8.68 3.91 0.00 1.90 2.14 0.00 3.09 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 82 A 7.99 4.04 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 83 A 7.96 3.89 1.38 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 0.00 0.00 84 V 7.84 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 0.88 0.00 0.00 1.00 0.00 0.00 85 S 8.17 4.17 0.00 3.95 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 86 T 8.23 3.87 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 87 L 8.40 4.05 0.00 1.91 1.70 0.69 0.95 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 88 E 8.70 3.99 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 89 T 8.11 3.85 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 1.21 0.00 0.00 90 K 8.35 3.82 0.00 1.96 2.03 0.00 1.42 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.07 1.46 7.81 91 L 8.61 4.15 0.00 1.81 1.72 1.01 0.94 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 92 G 8.30 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.28 4.02 0.00 2.21 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 2.39 2.43 0.00 94 L 8.60 3.90 0.00 1.85 1.69 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.36 3.97 0.00 1.93 1.85 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.47 7.81 96 R 8.16 3.91 0.00 1.89 2.20 0.00 3.26 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 97 Q 8.24 3.99 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 98 L 8.25 3.90 0.00 1.70 1.71 0.91 0.78 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 99 A 8.23 3.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 7.89 4.13 0.00 2.68 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 0.00 101 L 8.29 4.09 0.00 2.01 1.69 0.96 0.87 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 0.00 102 V 8.74 3.79 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.92 0.00 0.00 103 A 7.37 4.24 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 0.00 104 A 8.01 4.61 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 0.00 105 Q 7.85 4.05 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 106 K 8.02 4.02 0.00 1.72 1.90 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.51 7.81 107 L 7.50 4.17 0.00 1.81 1.54 0.93 0.69 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