NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3321 8.3031 120.0606 56.0890 33.2086 175.3493 3 G 3.6366 8.7201 113.6927 44.6350 0.0000 170.9395 4 D 4.4581 8.6746 120.6424 53.7870 42.3768 175.2887 5 K 3.8172 8.9977 126.8092 59.8349 32.1536 178.8415 6 K 3.9722 8.3379 118.5974 58.9302 31.9226 179.6014 7 V 3.5466 7.7415 118.2378 66.1650 31.6484 177.9090 8 I 3.7864 7.9754 119.7551 64.4759 36.8599 178.2121 9 Q 3.9562 7.8635 119.9555 59.1135 28.7841 177.6872 10 H 4.1085 8.2200 117.3065 58.9975 28.7456 177.4767 11 L 3.9757 8.3160 121.0320 58.2842 41.3938 179.5831 12 N 4.3518 8.1792 115.9619 55.8219 38.4346 177.5611 13 K 3.9272 7.9750 121.3349 59.4548 32.2601 178.8768 14 I 3.7051 7.9923 120.3615 64.3920 36.9806 178.1078 15 L 4.0268 8.2649 121.4024 57.9520 41.8436 178.9858 16 G 3.7366 8.2456 105.9460 48.1785 0.0000 175.2834 17 N 4.3582 8.2346 119.1771 55.9007 38.4519 177.2916 18 E 3.9716 8.4091 120.1012 59.5591 29.4431 179.5152 19 L 3.9420 8.1559 119.0293 57.6034 41.5831 179.6894 20 I 3.6356 7.5877 119.2281 64.3413 37.0079 178.1992 21 A 3.2855 7.8679 121.5073 54.9564 18.0552 179.7507 22 I 3.5694 7.7693 118.3350 64.6241 37.1879 178.5212 23 N 4.3592 7.7612 117.3567 56.1890 38.3345 177.2897 24 Q 3.8630 7.9937 120.9886 59.5766 29.0598 178.1388 25 Y 4.7128 7.9446 119.2700 60.3044 38.0408 177.8521 26 F 3.8609 8.5039 121.8194 61.1929 39.4584 176.9717 27 L 3.9745 8.2117 119.8531 58.5936 41.9025 178.5630 28 H 3.8425 8.3898 116.3889 58.7322 28.4635 177.5900 29 S 4.3506 8.4235 115.2422 61.7720 62.1472 176.5938 30 R 3.8444 7.7389 120.0658 58.9378 29.7684 179.0046 31 M 3.3911 7.9039 118.8966 57.8973 31.8663 178.4222 32 W 4.6848 7.9176 119.3964 60.2758 29.3021 178.3321 33 N 4.3917 8.5056 116.3561 56.4455 37.7449 177.0041 34 D 4.3620 8.0071 118.5773 56.8965 41.3919 177.6151 35 W 4.8503 7.9709 117.1554 57.1622 29.3367 177.2429 36 G 4.0087 8.1654 107.4336 45.6603 0.0000 174.9507 37 L 4.5249 7.9933 122.2414 53.5000 40.3272 177.4466 38 K 4.1473 8.6618 121.7053 58.7001 32.4981 178.9879 39 R 3.9450 7.9559 119.5334 59.0620 29.9618 178.1493 40 L 3.7578 7.8652 118.5177 57.7553 41.5108 179.7027 41 G 3.7058 8.1739 105.1758 47.6943 0.0000 175.5171 42 A 4.0184 8.3986 123.8448 55.2572 18.4606 179.2274 43 H 3.8967 8.2526 116.6876 59.3383 29.6937 177.0775 44 E 4.0035 8.5838 121.4151 59.3308 29.4830 178.1712 45 Y 4.1204 8.1953 119.7444 60.8368 38.8944 177.3134 46 H 3.9437 8.3228 119.2008 59.4604 29.8757 176.9946 47 E 3.8374 8.0593 120.2010 59.3262 29.1837 179.4243 48 S 4.2590 8.0161 113.1934 61.4413 62.5317 176.0226 49 I 3.5519 7.5282 122.5262 64.6633 36.8184 178.0075 50 D 4.2572 7.9596 119.3882 57.5085 40.5291 178.8575 51 E 4.0576 7.9768 118.6200 59.4265 29.4183 179.1033 52 M 4.0235 8.1585 118.9454 58.3755 32.0163 178.9923 53 K 3.9848 7.9414 118.6116 59.5620 32.1565 179.1431 54 H 4.2051 8.1031 116.2957 58.8622 28.6331 177.4738 55 A 3.9774 8.2888 122.8639 55.3060 18.1784 178.9279 56 D 4.2878 8.2175 116.3861 57.8070 41.3295 178.9505 57 K 4.0913 8.0639 118.5158 59.0792 31.8993 179.5671 58 L 3.9830 8.1953 119.6891 57.7377 41.5947 179.1506 59 I 3.6973 8.0621 120.1782 64.7805 37.1518 178.1593 60 E 4.0149 8.1983 118.9861 59.4833 29.2916 179.6167 61 R 4.0114 8.0076 118.4951 59.4789 30.1472 178.6135 62 I 3.7422 8.0811 119.9281 64.4852 37.1518 178.5009 63 L 4.1370 8.0540 119.8289 57.6639 41.2020 179.2297 64 F 4.2514 8.1560 119.8018 61.2607 39.5940 176.5386 65 L 3.8608 7.9841 116.0176 54.5805 41.0912 177.0727 66 E 3.7624 7.7504 118.8531 57.0452 28.2587 174.1965 67 G 3.8991 7.9378 106.0489 43.5981 0.0000 173.7985 68 L 4.5178 7.9939 119.0052 52.0829 42.1133 175.2016 69 P 4.4393 0.0000 0.0000 62.2858 31.8724 175.9791 70 N 4.7187 8.9682 121.8122 52.4324 38.8134 173.9206 71 L 4.6388 8.3542 124.2654 54.5592 42.4330 177.3391 72 Q 4.1455 8.6834 122.4600 57.6641 29.4752 175.7329 73 D 4.6841 8.1194 117.5959 52.6598 41.8086 175.2251 74 L 4.5875 8.3768 125.9878 52.9704 44.1507 176.4937 75 G 3.8608 8.3501 115.9097 44.3310 0.0000 171.7126 76 K 4.0554 8.4063 121.2535 55.7402 32.2966 177.3463 77 L 3.9573 8.4485 127.1688 54.8563 42.0168 176.9389 78 L 4.4400 8.5485 124.3226 53.4949 41.1530 175.6725 79 I 4.4017 8.1652 124.6459 59.4029 38.7903 176.2904 80 G 4.1082 8.6577 113.9482 44.2784 0.0000 172.9678 81 E 4.6702 8.6721 115.7399 56.0784 30.6936 175.6739 82 N 5.0487 7.6700 117.1465 50.6984 41.9079 174.9956 83 T 4.3899 8.5355 110.9604 65.0416 68.8166 176.2301 84 Q 3.9368 8.2004 121.8744 59.0747 29.1853 177.8937 85 E 3.9821 8.5403 119.5017 59.6971 29.5393 179.1293 86 M 3.8608 8.1930 118.6197 58.5419 31.9437 178.9400 87 L 4.1748 8.1149 118.9239 57.9240 41.8364 179.4087 88 Q 3.9778 8.2121 119.5898 59.2055 28.9707 177.9103 89 C 4.1949 8.8112 118.2246 63.0897 28.2111 175.8968 90 D 4.6750 8.3134 120.4034 57.2342 40.3969 178.6465 91 L 4.0276 8.2035 121.0971 58.2880 42.2805 178.6912 92 N 4.3811 8.7432 116.8656 56.3606 38.4610 177.1611 93 L 4.0598 8.0868 121.7086 58.1897 42.1979 178.9163 94 E 4.1250 8.5869 118.7283 59.2607 29.3838 179.2903 95 L 4.0485 8.1197 119.2602 57.5472 41.6139 179.3801 96 K 3.9210 8.0717 119.0609 59.5133 32.1544 178.6645 97 A 4.0381 8.2054 121.0728 55.4757 18.1704 179.5518 98 T 3.8770 8.0722 111.6684 65.0127 67.3032 176.5750 99 K 3.9431 8.0853 121.7262 59.6515 32.2181 178.6161 100 D 4.4024 8.0490 118.8719 57.0195 40.6795 178.7982 101 L 3.9561 7.9594 119.7307 57.9288 41.6903 179.5606 102 R 3.9501 8.2285 118.2042 59.4954 30.1040 179.0365 103 E 3.9812 8.0472 118.2124 59.2555 29.4132 179.2543 104 A 3.5905 7.9784 120.9499 54.7524 18.3778 179.7990 105 I 3.5898 7.7501 118.4765 64.4843 37.1396 178.3614 106 V 3.5669 7.5896 119.1177 66.5083 31.2442 177.4166 107 H 3.9439 7.9827 116.9784 59.5831 29.6991 176.6524 108 C 3.9598 8.4061 118.8779 63.0025 27.9846 176.0045 109 E 3.8614 8.2784 120.5118 59.2599 29.0602 178.3792 110 Q 3.9463 8.0193 118.6103 58.9877 29.0796 178.1429 111 V 3.9911 7.3155 109.7329 60.8568 31.8461 175.9705 112 H 3.1710 7.5012 113.9739 56.8567 26.6628 176.3156 113 D 4.5087 7.5482 121.8216 53.6091 38.6861 175.9841 114 Y 4.3546 7.6378 121.8947 60.1326 38.3522 177.3702 115 V 3.6618 7.8700 119.2329 65.9341 31.6697 178.0989 116 S 4.1200 8.3327 114.9342 61.5206 62.7064 176.4444 117 R 3.8826 8.0267 121.4086 59.5469 29.8899 177.8442 118 D 4.3306 8.3439 117.7843 57.3443 41.1886 178.0144 119 L 3.9508 8.1158 120.7465 58.2872 42.0690 179.0008 120 L 3.9855 8.2999 119.2931 57.4428 41.5087 179.1894 121 K 3.8520 8.6325 119.9982 59.8608 32.1091 178.5198 122 D 4.3649 8.0149 118.6619 57.4483 40.6645 178.8629 123 I 3.5374 7.7574 120.3907 64.0716 37.0264 178.2872 124 L 3.9093 7.9986 121.3598 58.0968 42.0647 178.4815 125 E 3.9587 8.2769 119.3347 59.4960 29.5198 178.8513 126 S 4.0936 7.9471 112.6465 61.3415 62.4170 175.9816 127 E 4.1272 8.3956 121.4935 59.3842 29.0748 179.1793 128 E 4.0209 8.7421 119.2294 59.3632 29.5071 179.1616 129 E 4.0222 8.1904 118.5269 59.6982 29.4113 179.0995 130 H 4.4156 8.2738 116.3152 59.0483 28.6951 177.9580 131 I 3.7886 8.0431 121.7753 64.2633 36.8659 177.9418 132 D 4.3211 8.4640 119.2133 57.4511 41.0751 177.6853 133 Y 4.0316 8.1700 119.9133 60.6595 38.8435 178.1049 134 L 3.5968 8.1719 119.8744 57.9244 41.8449 179.4799 135 E 3.9572 8.4179 118.6842 59.5781 29.4167 179.6576 136 T 3.8518 7.8761 116.1135 66.5934 68.4699 176.8471 137 Q 3.7731 7.7987 120.0406 58.6246 28.5066 178.6051 138 L 3.8704 7.7176 120.2421 57.6933 41.6849 179.7146 139 G 3.6020 7.9783 105.5597 47.8686 0.0000 175.7341 140 L 4.0285 7.5555 120.8536 57.3845 41.6521 179.3836 141 I 3.5605 7.3013 119.8211 64.6294 36.7998 178.4569 142 Q 3.9756 7.5207 117.5240 58.6896 28.5686 178.4499 143 K 4.2216 7.7825 118.1950 58.0220 32.5918 178.6413 144 V 4.1865 8.4862 110.3969 59.9027 32.9833 176.7378 145 G 4.0143 7.7780 106.8479 45.8063 0.0000 174.0559 146 L 3.9586 8.7071 123.9821 58.3267 41.9787 179.4479 147 E 3.9750 8.1470 117.6478 59.5721 29.4741 178.9418 148 N 4.3108 8.1647 115.9969 56.3635 38.3991 176.6622 149 Y 3.9476 7.9609 120.1090 60.7583 39.2754 177.8615 150 L 4.0644 8.3607 120.2939 57.5848 41.5873 179.0117 151 Q 3.9135 8.2164 119.7340 59.5392 28.7933 178.8190 152 S 4.2245 7.9420 113.5143 60.4053 62.9538 174.6421 153 H 4.6348 7.5780 118.4026 55.7305 29.3552 176.2352 154 M 4.0294 7.9098 121.3810 58.3630 32.0011 175.9066 155 H 5.2018 7.5915 114.1235 53.8809 30.6293 175.0430 156 E 4.1278 8.7155 121.7893 56.7814 29.2670 176.8336 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 2 K 8.30 4.33 0.00 1.86 1.79 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.03 7.81 3 G 8.72 3.64 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 0.00 0.00 0.00 4 D 8.67 4.46 0.00 2.79 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 5 K 9.00 3.82 0.00 1.92 1.78 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.11 7.81 6 K 8.34 3.97 0.00 1.84 1.58 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.60 7.81 7 V 7.74 3.55 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 1.13 0.00 0.00 0.92 0.00 0.00 8 I 7.98 3.79 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 0.89 0.00 0.00 9 Q 7.86 3.96 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 10 H 8.22 4.11 0.00 3.38 3.29 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 11 L 8.32 3.98 0.00 1.81 1.75 0.94 0.65 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 12 N 8.18 4.35 0.00 2.86 2.85 0.00 0.00 6.67 8.17 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 13 K 7.98 3.93 0.00 1.94 1.98 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 I 7.99 3.71 2.00 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 1.71 0.72 0.92 0.00 0.00 15 L 8.26 4.03 0.00 1.80 1.87 0.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.25 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 17 N 8.23 4.36 0.00 2.96 2.89 0.00 0.00 7.10 7.02 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 18 E 8.41 3.97 0.00 2.11 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 2.60 2.53 0.00 19 L 8.16 3.94 0.00 1.78 1.67 0.90 0.84 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 20 I 7.59 3.64 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.90 0.00 0.00 21 A 7.87 3.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.77 3.57 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 0.87 0.00 0.00 23 N 7.76 4.36 0.00 2.71 2.83 0.00 0.00 6.71 7.74 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 24 Q 7.99 3.86 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.61 2.34 0.00 25 Y 7.94 4.71 0.00 3.05 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 26 F 8.50 3.86 0.00 3.31 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 27 L 8.21 3.97 0.00 1.83 1.82 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.39 3.84 0.00 3.31 2.81 0.00 5.70 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 29 S 8.42 4.35 0.00 4.04 3.97 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 30 R 7.74 3.84 0.00 1.87 1.87 0.00 2.94 0.00 0.00 2.53 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 31 M 7.90 3.39 0.00 0.72 1.54 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.09 0.00 32 W 7.92 4.68 0.00 3.55 3.33 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 33 N 8.51 4.39 0.00 2.86 2.85 0.00 0.00 6.71 8.71 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 34 D 8.01 4.36 0.00 2.58 2.55 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 35 W 7.97 4.85 0.00 3.75 3.14 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 36 G 8.17 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 37 L 7.99 4.52 0.00 2.21 1.70 1.28 0.68 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 K 8.66 4.15 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.64 7.81 39 R 7.96 3.95 0.00 1.87 1.95 0.00 3.26 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 1.60 1.64 0.00 40 L 7.87 3.76 0.00 1.43 0.36 0.54 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 0.00 0.00 0.00 0.00 41 G 8.17 3.71 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 0.00 0.00 0.00 42 A 8.40 4.02 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 43 H 8.25 3.90 0.00 3.31 3.22 0.00 5.59 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 44 E 8.58 4.00 0.00 2.55 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 2.79 2.71 0.00 45 Y 8.20 4.12 0.00 3.08 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 46 H 8.32 3.94 0.00 3.26 3.33 0.00 5.84 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 47 E 8.06 3.84 0.00 2.05 1.76 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 2.40 2.21 0.00 48 S 8.02 4.26 0.00 4.14 4.10 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 49 I 7.53 3.55 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.06 0.79 0.00 0.00 50 D 7.96 4.26 0.00 2.88 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 51 E 7.98 4.06 0.00 2.05 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 2.75 2.54 0.00 52 M 8.16 4.02 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.54 0.00 53 K 7.94 3.98 0.00 1.89 1.84 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.59 7.81 54 H 8.10 4.21 0.00 3.48 3.32 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.29 3.98 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 56 D 8.22 4.29 0.00 2.91 2.87 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 57 K 8.06 4.09 0.00 2.02 1.85 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.48 7.81 58 L 8.20 3.98 0.00 1.87 1.72 0.96 0.70 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 59 I 8.06 3.70 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 1.52 0.89 0.92 0.00 0.00 60 E 8.20 4.01 0.00 2.04 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 0.00 2.35 2.60 0.00 61 R 8.01 4.01 0.00 2.10 2.12 0.00 3.30 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 62 I 8.08 3.74 2.09 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 1.53 0.52 0.94 0.00 0.00 63 L 8.05 4.14 0.00 2.07 1.77 0.93 0.86 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 64 F 8.16 4.25 0.00 3.01 3.30 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 65 L 7.98 3.86 0.00 1.88 1.60 0.99 0.58 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 66 E 7.75 3.76 0.00 1.98 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 2.13 2.23 0.00 67 G 7.94 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 68 L 7.99 4.52 0.00 1.61 1.62 0.91 1.00 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 69 P 0.00 4.44 0.00 2.04 1.98 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 70 N 8.97 4.72 0.00 2.65 2.72 0.00 0.00 7.05 7.29 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 71 L 8.35 4.64 0.00 1.61 1.61 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.68 4.15 0.00 1.95 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 8.12 4.68 0.00 2.69 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 74 L 8.38 4.59 0.00 1.51 1.50 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.35 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 0.00 0.00 0.00 76 K 8.41 4.06 0.00 1.71 1.75 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.52 7.81 77 L 8.45 3.96 0.00 1.63 1.57 0.92 0.99 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 78 L 8.55 4.44 0.00 1.70 1.69 0.99 0.88 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 79 I 8.17 4.40 1.88 0.00 0.00 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 1.33 0.79 0.90 0.00 0.00 80 G 8.66 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 0.00 0.00 0.00 81 E 8.67 4.67 0.00 2.18 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 0.00 2.55 2.38 0.00 82 N 7.67 5.05 0.00 2.90 2.85 0.00 0.00 5.99 7.22 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 83 T 8.54 4.39 5.22 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 1.67 0.00 0.00 84 Q 8.20 3.94 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 85 E 8.54 3.98 0.00 2.26 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 0.00 2.35 2.56 0.00 86 M 8.19 3.86 0.00 1.38 2.26 0.00 0.00 0.00 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.10 0.00 87 L 8.11 4.17 0.00 1.88 1.72 0.84 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 88 Q 8.21 3.98 0.00 2.19 2.24 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 2.37 2.47 0.00 89 C 8.81 4.19 0.00 3.35 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 90 D 8.31 4.68 0.00 2.95 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 91 L 8.20 4.03 0.00 1.86 1.87 0.96 0.71 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 92 N 8.74 4.38 0.00 2.91 2.90 0.00 0.00 6.70 6.78 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 93 L 8.09 4.06 0.00 1.97 1.97 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.59 4.12 0.00 2.13 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 2.73 2.65 0.00 95 L 8.12 4.05 0.00 1.74 1.74 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.07 3.92 0.00 1.93 2.00 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.52 7.81 97 A 8.21 4.04 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 98 T 8.07 3.88 4.53 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 1.27 0.00 0.00 99 K 8.09 3.94 0.00 1.90 2.04 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 8.05 4.40 0.00 2.86 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 0.00 101 L 7.96 3.96 0.00 2.05 1.71 0.91 1.00 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 0.00 102 R 8.23 3.95 0.00 1.97 1.99 0.00 3.13 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 1.66 1.87 0.00 103 E 8.05 3.98 0.00 2.14 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 0.00 2.35 2.47 0.00 104 A 7.98 3.59 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 0.00 105 I 7.75 3.59 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 1.41 0.87 0.93 0.00 0.00 106 V 7.59 3.57 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 1.06 0.00 0.00 1.01 0.00 0.00 107 H 7.98 3.94 0.00 3.41 3.32 0.00 5.86 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 0.00 108 C 8.41 3.96 0.00 3.10 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 0.00 109 E 8.28 3.86 0.00 2.14 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 2.37 2.45 0.00 110 Q 8.02 3.95 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 111 V 7.32 3.99 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 0.86 0.00 0.00 0.92 0.00 0.00 112 H 7.50 3.17 0.00 3.19 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.55 4.51 0.00 2.63 2.48 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 0.00 114 Y 7.64 4.35 0.00 3.08 2.94 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 0.00 115 V 7.87 3.66 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 1.16 0.00 0.00 1.00 0.00 0.00 116 S 8.33 4.12 0.00 4.12 3.91 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 0.00 0.00 0.00 117 R 8.03 3.88 0.00 1.93 2.15 0.00 3.17 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 118 D 8.34 4.33 0.00 3.09 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 0.00 119 L 8.12 3.95 0.00 1.92 1.82 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.30 3.99 0.00 1.85 1.69 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.63 3.85 0.00 2.00 2.06 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.37 7.81 122 D 8.01 4.36 0.00 2.94 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 0.00 123 I 7.76 3.54 1.95 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 1.18 0.66 0.79 0.00 0.00 124 L 8.00 3.91 0.00 1.84 1.88 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.28 3.96 0.00 2.08 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 2.31 2.33 0.00 126 S 7.95 4.09 0.00 3.95 4.06 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 0.00 0.00 0.00 127 E 8.40 4.13 0.00 2.04 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 2.52 2.52 0.00 128 E 8.74 4.02 0.00 2.10 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 0.00 2.35 2.54 0.00 129 E 8.19 4.02 0.00 2.23 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 2.37 2.49 0.00 130 H 8.27 4.42 0.00 3.58 3.41 0.00 5.64 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 0.00 131 I 8.04 3.79 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.90 0.94 0.00 0.00 132 D 8.46 4.32 0.00 2.91 2.89 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 0.00 133 Y 8.17 4.03 0.00 3.21 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 0.00 134 L 8.17 3.60 0.00 2.02 1.66 1.17 1.21 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 0.00 135 E 8.42 3.96 0.00 1.95 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 2.32 2.63 0.00 136 T 7.88 3.85 4.31 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 1.18 0.00 0.00 137 Q 7.80 3.77 0.00 1.77 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 1.44 1.94 0.00 138 L 7.72 3.87 0.00 1.71 1.61 0.82 0.97 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 0.00 139 G 7.98 3.60 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 0.00 140 L 7.56 4.03 0.00 1.79 1.81 1.02 0.64 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 0.00 141 I 7.30 3.56 1.80 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.17 0.81 0.00 0.00 142 Q 7.52 3.98 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 143 K 7.78 4.22 0.00 1.75 1.85 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.68 7.81 144 V 8.49 4.19 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 0.78 0.00 0.00 1.13 0.00 0.00 145 G 7.78 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 0.00 146 L 8.71 3.96 0.00 1.77 1.70 0.96 0.97 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 0.00 147 E 8.15 3.97 0.00 2.06 1.98 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 2.40 2.40 0.00 148 N 8.16 4.31 0.00 3.07 2.89 0.00 0.00 6.74 7.48 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 0.00 149 Y 7.96 3.95 0.00 3.02 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 0.00 150 L 8.36 4.06 0.00 1.73 1.72 0.95 1.02 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 0.00 151 Q 8.22 3.91 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 152 S 7.94 4.22 0.00 3.74 3.67 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 0.00 153 H 7.58 4.63 0.00 2.89 3.12 0.00 5.81 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.91 4.03 0.00 1.78 1.99 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 155 H 7.59 5.20 0.00 3.11 3.17 0.00 5.72 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 0.00 156 E 8.72 4.13 0.00 1.95 1.85 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 2.30 2.30 0.00