NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7579 8.4549 115.4701 54.6989 43.1277 172.9627 2 D 4.3998 8.4502 119.5959 53.6615 40.9671 175.4231 3 I 2.8665 7.9017 124.2862 60.3750 38.4206 174.2829 4 P 4.4465 0.0000 0.0000 62.2757 32.2799 176.3002 5 Q 4.2633 8.5045 117.9337 59.0977 29.6352 176.3264 6 S 4.9459 7.6089 110.5887 57.8387 66.1511 173.6074 7 T 4.8045 9.0924 113.9382 60.4713 71.3783 172.1076 8 N 5.1013 8.4450 123.1870 52.4816 41.1732 172.6331 9 C 5.0181 9.4857 126.8403 56.2786 39.0810 174.2529 10 G 3.7659 9.5466 113.4861 46.7012 0.0000 172.1289 11 G 3.9647 8.5231 108.9042 45.0186 0.0000 174.5402 12 N 4.5171 8.2531 118.1721 52.2015 38.4053 173.9353 13 V 4.5972 8.0623 124.0694 61.8252 32.7098 174.6195 14 Y 5.1481 8.9456 125.6810 56.1851 41.5373 175.6386 15 S 5.0420 9.2933 117.8926 57.3114 65.1298 174.7664 16 N 4.2191 8.8254 118.4544 56.4758 36.5278 176.6915 17 D 4.2816 8.0550 119.6822 57.0917 41.3809 177.7464 18 D 4.3954 8.2324 119.3179 57.4284 40.8410 178.9710 19 I 3.6381 7.7715 120.2294 64.3271 37.0661 177.9196 20 N 4.2273 8.3613 118.2315 57.0409 38.6926 176.8779 21 T 3.8099 8.2502 117.1782 66.4908 68.4744 176.3619 22 A 4.0859 8.0048 122.5055 55.3697 18.4869 179.7921 23 I 3.1946 7.6692 118.2014 64.5166 36.9038 178.8091 24 Q 3.9571 8.1071 118.3248 58.6736 28.6266 178.7014 25 G 3.5527 8.0999 106.7913 47.6047 0.0000 175.6082 26 A 3.3766 6.8636 122.1893 54.3972 18.4364 179.0230 27 L 4.3215 7.2940 114.6479 55.0438 43.0312 178.2831 28 D 4.6548 7.3023 119.6625 53.1257 39.2353 174.5157 29 D 4.8650 7.9349 119.4155 52.4567 40.2144 177.4655 30 V 4.1951 7.0769 112.3264 59.7845 33.1687 175.9051 31 A 4.2328 8.4007 124.9657 52.5018 20.0166 175.7308 32 D 4.5156 8.8681 118.0006 53.5023 40.3700 178.3352 33 G 3.6886 8.8641 103.5219 44.7207 0.0000 173.0034 34 D 4.7498 7.9774 119.1778 53.1126 41.9585 177.1635 35 R 4.3489 8.3575 120.3142 55.4897 30.5261 175.3251 36 P 4.3874 0.0000 0.0000 62.2427 32.1031 175.8908 37 D 4.4614 8.4264 121.7197 55.9336 41.0864 177.2240 38 N 4.2593 9.1578 118.3465 53.9658 36.7899 173.4832 39 Y 5.2339 7.6026 113.5452 55.3421 42.2735 173.3831 40 P 5.2738 0.0000 0.0000 63.6721 32.4176 174.7855 41 H 5.1341 8.7804 115.4760 53.3732 32.4808 172.3418 42 Q 4.3919 8.7473 120.4138 56.5883 29.5980 174.4301 43 Y 4.7247 8.6578 127.6630 56.2478 40.1992 174.3199 44 Y 4.6440 7.9327 123.6586 55.8033 40.3903 175.0857 45 D 4.2788 8.6955 123.2009 53.9478 41.1870 175.4611 46 E 4.1994 8.5793 127.1446 55.5230 30.4056 177.9595 47 A 4.0347 8.7654 126.9200 55.3468 18.5359 178.8183 48 S 4.2596 8.0221 108.2080 59.8902 63.5243 173.6523 49 E 4.6269 7.6876 120.4970 54.9773 31.9709 174.9634 50 D 4.8058 8.0895 116.1621 53.1989 41.1080 175.6674 51 I 4.1371 7.5882 120.1846 60.8629 38.2273 176.2221 52 T 4.2950 8.8004 123.8049 61.8656 68.8165 174.6998 53 L 4.2004 8.0797 127.1922 54.2868 42.5215 175.7834 54 C 4.6936 8.5529 116.5699 55.1331 41.9479 170.9442 55 C 4.8498 7.7001 115.4383 53.9316 44.4702 173.9239 56 G 4.0128 8.2464 114.2942 45.5242 0.0000 174.0294 57 S 4.4670 8.6352 119.3508 57.8262 63.7904 174.5567 58 G 2.2130 7.2979 110.7726 43.4068 0.0000 171.3371 59 P 3.9090 0.0000 0.0000 62.3498 32.6644 175.4453 60 W 5.2985 8.2666 119.6894 55.1387 32.8511 174.6910 61 S 5.1228 8.7089 118.0132 56.6146 66.7043 172.5958 62 E 5.1370 9.1184 122.9050 54.5719 32.5800 174.4902 63 F 5.1886 9.0713 127.1978 55.8099 43.5291 171.7987 64 P 4.2720 0.0000 0.0000 62.2870 31.8957 175.5354 65 L 4.2809 8.0617 126.6874 53.6128 42.5454 176.0321 66 V 4.4402 7.7816 118.3532 59.3563 35.7928 175.0425 67 Y 4.4012 8.3637 119.1351 59.2995 38.5368 175.5154 68 N 4.2013 9.0344 118.5039 54.3885 36.2300 174.3891 69 G 3.9927 7.9154 106.4313 44.1943 0.0000 171.5136 70 P 4.6896 0.0000 0.0000 61.7259 32.3221 175.3849 71 Y 4.1787 8.7308 120.3850 58.8001 39.0107 174.9339 72 Y 4.5435 7.2581 125.5637 56.2500 42.5180 173.6706 73 S 4.2902 6.0854 115.3027 57.5090 65.5731 173.7779 74 S 5.0772 8.4158 118.7752 56.5613 66.4340 175.1405 75 R 4.0463 8.6658 116.2762 59.2516 29.2576 178.0471 76 D 4.5869 8.1074 117.4541 56.4202 41.4423 176.1116 77 N 4.9683 8.1753 116.3137 51.4016 39.4053 171.7234 78 Y 4.7882 7.9740 121.8542 55.6187 40.3247 174.4690 79 V 4.1537 7.3309 125.4691 60.4178 34.4868 175.1586 80 S 4.3636 8.6285 121.2311 57.1918 62.7133 172.3794 81 P 3.4269 0.0000 0.0000 63.0589 31.4156 177.6087 82 G 3.8838 7.6594 108.9657 44.2721 0.0000 171.0510 83 P 4.6570 0.0000 0.0000 63.7284 32.8073 175.2684 84 D 5.4163 7.8790 120.6782 52.7702 43.8506 175.4101 85 R 4.9903 8.7925 120.2670 54.4716 35.1764 174.3106 86 V 4.6636 8.6028 121.5053 60.3196 34.1568 174.5974 87 I 4.9304 8.4196 124.5557 59.7104 39.5995 174.3006 88 Y 5.2400 8.3693 123.7802 55.1059 42.3768 173.9160 89 Q 4.6135 9.2736 122.3157 55.9787 29.5486 176.1354 90 T 3.9648 8.5868 124.5780 66.9534 68.5251 175.2141 91 N 4.6356 8.3440 116.1329 54.4804 39.4026 174.9670 92 T 4.4430 7.7240 104.9368 60.8944 70.5937 175.1357 93 G 3.9009 8.6694 109.3892 45.1120 0.0000 173.1435 94 E 4.1742 8.0947 122.2465 55.8157 30.7085 175.9354 95 F 4.5620 9.0275 129.4085 59.0964 39.8099 174.5592 96 C 4.5489 7.9356 121.9044 57.7837 41.0658 173.5850 97 A 4.3103 5.8448 116.9859 51.3277 22.1337 174.8621 98 T 4.9307 8.0128 108.9553 60.0924 71.7080 173.6831 99 V 4.8178 8.3066 116.3418 60.0839 36.5345 174.1798 100 T 5.1578 8.7115 115.6950 61.1231 70.7816 174.5852 101 H 4.8867 9.4123 123.7777 57.6565 29.1681 175.9050 102 T 4.0571 7.8816 117.5425 64.7302 68.3214 174.7244 103 G 3.8395 9.0168 113.8565 45.6161 0.0000 173.0591 104 A 4.2877 7.6832 122.3410 51.2588 19.0651 178.0142 105 A 4.2358 8.4121 121.3185 53.7593 18.9957 177.2677 106 S 4.5938 7.4827 109.0890 57.1119 65.6688 175.0691 107 Y 4.0494 8.8700 122.1441 60.3768 38.3020 176.6464 108 D 4.2976 7.9607 114.9404 52.6044 40.1333 176.2404 109 G 3.7960 7.4887 109.4248 45.4673 0.0000 172.6852 110 F 5.6469 8.9793 118.0829 55.8429 42.2276 174.7952 111 T 4.7284 8.9285 116.0423 60.1953 70.8666 172.4231 112 Q 4.4711 8.4479 126.4100 55.4410 29.7881 176.2679 113 C 4.7849 8.7520 124.4161 56.2772 39.8764 174.0703 114 S 4.2766 8.5795 114.9276 58.8309 62.5300 174.1696 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 C 8.45 4.76 0.00 3.16 3.39 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 2 D 8.45 4.40 0.00 2.76 2.61 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 3 I 7.90 2.87 1.66 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.32 0.57 0.00 0.00 4 P 0.00 4.45 0.00 2.28 1.99 0.00 2.81 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.88 0.00 5 Q 8.50 4.26 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 6 S 7.61 4.95 0.00 3.95 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 7 T 9.09 4.80 4.28 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 1.39 0.00 0.00 8 N 8.45 5.10 0.00 2.76 2.67 0.00 0.00 7.21 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 9 C 9.49 5.02 0.00 3.31 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 10 G 9.55 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 11 G 8.52 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 12 N 8.25 4.52 0.00 2.92 2.33 0.00 0.00 6.40 7.83 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 13 V 8.06 4.60 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 0.84 0.00 0.00 0.91 0.00 0.00 14 Y 8.95 5.15 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 15 S 9.29 5.04 0.00 3.92 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 16 N 8.83 4.22 0.00 2.87 3.34 0.00 0.00 7.04 7.54 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 17 D 8.05 4.28 0.00 2.81 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 18 D 8.23 4.40 0.00 3.00 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 19 I 7.77 3.64 1.85 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 1.35 1.01 0.81 0.00 0.00 20 N 8.36 4.23 0.00 2.81 2.89 0.00 0.00 7.28 7.08 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 21 T 8.25 3.81 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 1.24 0.00 0.00 22 A 8.00 4.09 1.52 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 0.00 0.00 23 I 7.67 3.19 1.70 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 1.43 0.74 0.49 0.00 0.00 24 Q 8.11 3.96 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 25 G 8.10 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 26 A 6.86 3.38 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 27 L 7.29 4.32 0.00 1.48 1.63 0.73 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.30 4.65 0.00 2.70 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 29 D 7.93 4.86 0.00 2.83 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 30 V 7.08 4.20 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 0.68 0.00 0.00 0.95 0.00 0.00 31 A 8.40 4.23 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 32 D 8.87 4.52 0.00 2.71 2.45 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 33 G 8.86 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.98 4.75 0.00 2.84 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 35 R 8.36 4.35 0.00 1.94 2.04 0.00 3.28 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 36 P 0.00 4.39 0.00 2.46 1.87 0.00 4.17 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 37 D 8.43 4.46 0.00 2.74 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 38 N 9.16 4.26 0.00 2.85 2.46 0.00 0.00 6.77 7.46 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 39 Y 7.60 5.23 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 5.27 0.00 2.32 2.53 0.00 3.96 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 41 H 8.78 5.13 0.00 3.22 3.45 0.00 5.46 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 42 Q 8.75 4.39 0.00 1.95 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 1.49 2.26 0.00 43 Y 8.66 4.72 0.00 2.96 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 44 Y 7.93 4.64 0.00 2.83 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 45 D 8.70 4.28 0.00 2.70 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 46 E 8.58 4.20 0.00 2.22 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 2.38 2.25 0.00 47 A 8.77 4.03 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 48 S 8.02 4.26 0.00 4.00 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 49 E 7.69 4.63 0.00 2.06 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 2.32 2.26 0.00 50 D 8.09 4.81 0.00 2.56 2.54 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 51 I 7.59 4.14 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.05 0.68 0.00 0.00 52 T 8.80 4.29 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 1.16 0.00 0.00 53 L 8.08 4.20 0.00 1.33 1.22 -0.65 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.55 4.69 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 55 C 7.70 4.85 0.00 3.17 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 56 G 8.25 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 0.00 0.00 0.00 57 S 8.64 4.47 0.00 3.92 3.92 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 0.00 0.00 0.00 58 G 7.30 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 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 3.91 0.00 1.92 1.96 0.00 3.44 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 60 W 8.27 5.30 0.00 3.52 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 61 S 8.71 5.12 0.00 2.72 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 62 E 9.12 5.14 0.00 2.05 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 2.29 2.21 0.00 63 F 9.07 5.19 0.00 3.33 2.88 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 64 P 0.00 4.27 0.00 0.86 1.18 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 L 8.06 4.28 0.00 1.29 0.98 0.54 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.78 4.44 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 0.69 0.00 0.00 1.00 0.00 0.00 67 Y 8.36 4.40 0.00 3.10 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 68 N 9.03 4.20 0.00 2.94 2.93 0.00 0.00 6.95 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 69 G 7.92 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 70 P 0.00 4.69 0.00 2.45 2.31 0.00 3.84 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 2.07 1.98 0.00 71 Y 8.73 4.18 0.00 2.67 2.57 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 0.00 72 Y 7.26 4.54 0.00 2.88 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 73 S 6.09 4.29 0.00 3.25 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 74 S 8.42 5.08 0.00 3.94 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 75 R 8.67 4.05 0.00 1.97 2.15 0.00 3.08 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 76 D 8.11 4.59 0.00 2.75 2.81 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 77 N 8.18 4.97 0.00 2.82 2.75 0.00 0.00 6.51 7.57 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 78 Y 7.97 4.79 0.00 3.15 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 79 V 7.33 4.15 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 0.80 0.00 0.00 0.82 0.00 0.00 80 S 8.63 4.36 0.00 4.01 3.79 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 0.00 0.00 0.00 0.00 81 P 0.00 3.43 0.00 1.65 1.24 0.00 4.03 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 1.96 2.07 0.00 82 G 7.66 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 0.00 0.00 0.00 83 P 0.00 4.66 0.00 2.17 2.34 0.00 3.68 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 2.08 2.03 0.00 84 D 7.88 5.42 0.00 2.60 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 85 R 8.79 4.99 0.00 1.30 1.57 0.00 3.37 0.00 0.00 2.99 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 86 V 8.60 4.66 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 0.99 0.00 0.00 1.12 0.00 0.00 87 I 8.42 4.93 1.28 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.11 0.31 0.00 0.00 88 Y 8.37 5.24 0.00 3.09 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 89 Q 9.27 4.61 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 90 T 8.59 3.96 4.17 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 1.21 0.00 0.00 91 N 8.34 4.64 0.00 2.64 2.82 0.00 0.00 6.73 7.70 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 92 T 7.72 4.44 4.28 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 1.28 0.00 0.00 93 G 8.67 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 0.00 0.00 0.00 94 E 8.09 4.17 0.00 2.20 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 0.00 2.37 2.39 0.00 95 F 9.03 4.56 0.00 3.03 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 96 C 7.94 4.55 0.00 2.53 2.60 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 97 A 5.84 4.31 0.77 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 98 T 8.01 4.93 4.20 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 1.34 0.00 0.00 99 V 8.31 4.82 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 0.30 0.00 0.00 -0.30 0.00 0.00 100 T 8.71 5.16 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 1.36 0.00 0.00 101 H 9.41 4.89 0.00 3.18 3.19 0.00 5.68 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 0.00 102 T 7.88 4.06 4.28 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 1.24 0.00 0.00 103 G 9.02 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 0.00 104 A 7.68 4.29 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 0.00 105 A 8.41 4.24 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 0.00 106 S 7.48 4.59 0.00 3.99 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 0.00 107 Y 8.87 4.05 0.00 2.88 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 0.00 108 D 7.96 4.30 0.00 2.63 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 0.00 109 G 7.49 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.98 5.65 0.00 3.12 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 0.00 111 T 8.93 4.73 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 1.31 0.00 0.00 112 Q 8.45 4.47 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 113 C 8.75 4.78 0.00 2.91 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 0.00 114 S 8.58 4.28 0.00 4.03 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