NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5717 8.2649 122.4705 52.2407 19.7778 175.9029 2 T 4.3959 8.9213 120.0351 62.6372 70.6694 172.8864 3 K 5.3423 8.8799 124.7153 55.0072 37.2733 174.6645 4 A 5.3394 9.1007 123.5668 50.9471 23.2760 175.3382 5 V 5.0233 8.9551 117.8866 60.6009 35.6292 173.7007 6 C 4.9403 9.1148 121.7528 57.9622 35.3173 172.6651 7 V 4.5603 8.4699 126.1775 61.6092 32.8830 174.1795 8 L 4.8751 8.6822 129.1047 53.8193 43.1844 176.2463 9 K 4.9893 9.0662 121.9525 55.2750 37.0873 176.2342 10 G 4.4446 8.0123 108.6262 44.1648 0.0000 171.8213 11 D 4.5996 8.8558 117.8760 55.2057 42.0328 177.2023 12 G 4.2847 7.6651 109.4427 44.6083 0.0000 172.2825 13 P 4.5887 0.0000 0.0000 62.6854 31.6211 175.5488 14 V 4.2361 7.5780 119.5089 62.7583 32.0335 175.1843 15 Q 4.9167 8.8225 126.5922 54.3759 32.8432 174.7852 16 G 4.4691 8.7135 108.0977 45.2719 0.0000 171.6128 17 I 5.1342 8.5733 120.5964 59.3336 40.9436 174.7613 18 I 4.7033 8.8416 127.5457 59.4211 40.5462 174.2291 19 N 4.7961 8.5527 124.5652 51.2043 41.2841 173.7957 20 F 5.4590 8.9380 120.5447 55.8545 43.1414 173.8970 21 E 5.2507 9.6751 122.8692 54.9492 33.6266 173.5853 22 Q 4.9597 9.3902 127.7877 54.3669 31.2464 175.9578 23 K 4.1773 8.9911 127.2023 58.6541 32.8424 177.6349 24 E 4.7428 7.8063 117.0869 53.7540 33.3196 174.8672 25 S 4.2639 8.7993 116.9337 60.3080 63.1136 173.7300 26 N 4.1530 8.9276 119.4209 54.0603 36.0010 174.2894 27 G 4.0327 8.0947 108.7266 43.3189 0.0000 172.0935 28 P 4.6810 0.0000 0.0000 62.7239 32.4751 175.8619 29 V 4.6332 8.8259 121.7385 61.3977 33.6982 174.5426 30 K 4.9520 9.3325 128.2149 55.4418 34.0651 175.7409 31 V 4.8538 9.1805 125.3759 60.8272 34.0959 174.2610 32 W 5.4979 8.5301 124.1905 54.8150 31.8845 175.1787 33 G 3.8396 7.4230 107.0937 46.1118 0.0000 171.0785 34 S 5.0503 7.7928 115.0285 56.9770 66.6859 174.2716 35 I 5.2053 8.7151 125.8764 59.3698 41.0821 174.5805 36 K 4.8030 9.3819 125.3742 55.6712 36.1955 176.8459 37 G 3.7328 8.8797 107.3248 45.9668 0.0000 173.5921 38 V 4.3305 7.3412 112.8650 58.9262 33.9714 175.5389 39 T 4.3135 8.1126 111.2034 61.0062 69.4021 174.1543 40 E 4.1106 8.6263 124.2968 57.1058 30.3332 175.5008 41 G 3.7461 8.2745 111.2779 43.9049 0.0000 172.1023 42 L 4.8637 8.1458 119.2324 54.4417 42.9628 176.4813 43 H 5.0352 9.1865 119.6998 53.5544 32.6243 173.3341 44 G 4.0432 8.9914 110.8778 47.0100 0.0000 172.4469 45 F 5.4923 8.7704 125.0728 57.2017 42.4275 172.8592 46 H 4.9967 8.7840 122.6200 54.2341 33.9077 172.8125 47 V 4.3762 8.4661 121.4117 62.7170 32.2035 174.9649 48 H 5.1410 9.3747 125.2858 54.2491 30.9217 175.6583 49 E 3.7750 8.9643 122.6837 58.9720 29.2707 177.2354 50 F 5.0324 8.0971 118.0559 55.7885 41.4300 176.2191 51 G 4.2676 8.4340 112.5516 44.4461 0.0000 173.8382 52 D 4.8224 7.9836 117.6514 52.4754 43.2202 174.5007 53 N 5.1376 8.5842 124.1975 53.4879 39.7004 175.6788 54 T 3.8299 8.6877 108.8805 64.1684 68.3977 175.8599 55 A 4.6185 7.9905 123.8357 50.9797 19.9529 177.4834 56 G 3.8390 8.0190 109.8694 46.3091 0.0000 174.2433 57 C 4.3290 8.6649 114.4077 60.0661 34.9750 175.8181 58 T 3.7507 8.0676 113.6810 65.3327 66.5443 175.7257 59 S 4.3048 7.9828 115.4922 60.6688 63.0289 175.8281 60 A 4.4829 7.5958 124.9170 54.0324 18.3181 178.5927 61 G 4.0978 8.1728 105.4975 44.8950 0.0000 170.6546 62 P 4.7109 0.0000 0.0000 61.9494 33.9569 175.3659 63 H 4.3426 8.4175 116.5174 55.6600 29.5260 175.6584 64 F 4.2738 8.9838 125.5781 57.9193 40.3164 175.4240 65 N 5.0590 7.8186 125.8944 51.7233 39.0194 173.2121 66 P 4.1685 0.0000 0.0000 65.1989 31.9959 177.7233 67 L 4.3155 7.6233 116.6741 53.7397 42.0828 176.1399 68 S 3.6054 7.4628 113.6878 59.6350 60.6882 172.0134 69 R 4.4478 8.2575 118.1458 54.6585 32.0346 176.6801 70 K 4.4041 8.4871 118.6950 55.8209 33.1538 177.0247 71 H 3.8356 8.5422 122.8310 57.1925 30.2721 175.0648 72 G 3.9620 7.4614 110.2833 46.1082 0.0000 172.1361 73 G 4.1745 8.9887 109.9368 43.2527 0.0000 173.2622 74 P 4.4159 0.0000 0.0000 65.0539 31.4351 177.5360 75 K 4.2528 7.9481 116.2607 56.9992 32.4899 176.3181 76 D 4.7619 7.5691 119.5848 52.9082 42.0944 176.3927 77 E 3.8930 8.7566 123.8063 59.1738 29.7535 176.8878 78 E 4.2227 7.9801 122.9446 55.3853 28.5529 174.9143 79 R 4.7059 7.7205 120.5676 54.7300 32.6969 174.8012 80 H 4.4853 9.4408 116.5691 55.1918 29.6015 176.8227 81 V 3.4243 8.4659 122.7388 66.4358 31.2052 177.5840 82 G 3.8202 8.1535 104.6740 47.6707 0.0000 172.9688 83 D 5.0587 8.2041 121.0377 54.0451 40.2108 175.8015 84 L 4.5882 8.5462 121.8305 52.9793 42.9423 177.5467 85 G 4.1567 8.7273 109.3554 45.4674 0.0000 174.9910 86 N 5.6187 8.6281 119.8534 51.2601 42.1230 172.8597 87 V 4.3560 8.5979 114.5869 59.9693 34.4229 174.8653 88 T 4.9947 8.2995 119.5329 61.8540 71.1106 173.0332 89 A 4.8935 9.0051 129.1382 50.5509 21.5778 177.0489 90 D 4.8985 8.3989 120.7746 52.0382 41.3790 177.1117 91 K 4.0404 8.4424 119.0416 59.5051 32.2168 177.8064 92 D 4.3824 8.0747 117.8179 55.6693 41.1709 177.2281 93 G 4.1816 8.5630 107.8995 44.3391 0.0000 172.2329 94 V 4.8463 7.9829 118.7069 60.5497 34.5183 173.9865 95 A 4.9881 9.1215 129.5704 49.5079 21.1421 174.6806 96 D 5.0852 8.6608 122.7308 53.4675 42.6457 176.2792 97 V 4.2491 8.8658 123.8287 61.0896 33.9173 174.3547 98 S 4.9804 8.6687 122.0497 56.9648 64.8308 172.7757 99 I 4.8249 9.3325 128.1232 59.3926 41.3139 174.1892 100 E 5.2141 8.8560 125.2585 54.5021 32.2998 174.4150 101 D 4.8850 9.3292 125.8699 52.7446 44.5423 175.7364 102 S 4.6722 8.9474 120.1549 58.5698 63.6100 174.7500 103 V 4.0548 7.9701 120.9522 64.5780 32.0889 176.4965 104 I 3.9941 7.7607 111.4681 61.3304 38.0507 174.6394 105 S 4.6480 8.3778 114.2669 57.5252 65.4270 174.2520 106 L 4.4651 8.9139 122.9418 54.3421 41.6818 176.1252 107 S 4.5247 7.7300 112.8832 57.6456 66.6002 174.4194 108 G 3.8704 8.4931 108.3453 44.8189 0.0000 173.4989 109 D 4.5376 8.6257 116.9116 55.7764 39.7684 176.4012 110 H 5.0021 8.1197 116.9237 55.7193 28.9033 174.0553 111 C 4.4977 7.8962 120.7061 59.5902 31.8783 173.4830 112 I 3.9178 8.0797 118.8767 60.5347 38.2621 175.7316 113 I 3.6851 7.3169 123.0635 62.8021 37.5564 176.2458 114 G 3.7965 9.4772 113.1195 45.5059 0.0000 172.9491 115 R 4.9630 7.4343 119.2488 54.7936 33.7394 174.6123 116 T 4.9978 7.8973 115.1824 62.0167 71.1786 173.7917 117 L 4.8173 8.6048 128.4984 54.0639 44.1292 175.3803 118 V 4.9830 8.6498 125.1754 61.0500 35.1241 174.1200 119 V 5.0547 8.6099 127.2017 60.5671 33.4999 174.8145 120 H 5.2397 9.0837 122.0413 54.0925 30.5569 174.6594 121 E 4.1951 9.0349 122.0655 59.1868 29.9762 176.6492 122 K 4.7905 8.4420 116.8564 53.6492 36.5276 175.3319 123 A 4.4954 8.3763 122.2469 52.4667 19.5421 176.1923 124 D 4.9115 9.4016 122.4681 53.5475 41.9351 175.9842 125 D 4.6197 9.2196 124.8744 52.9979 39.7063 176.5880 126 L 3.4216 9.2705 118.6429 56.1834 39.5570 175.5964 127 G 4.2811 8.3039 104.1130 46.0876 0.0000 175.0121 128 K 4.5413 7.9482 117.3315 56.0413 32.3422 177.5451 129 G 3.7072 7.9550 109.3524 45.2655 0.0000 175.6388 130 G 3.8413 8.3126 107.2717 45.9146 0.0000 172.4802 131 N 5.0077 7.5427 116.4602 50.0414 40.4212 174.9971 132 E 3.9806 8.5376 117.8327 59.2983 29.5580 178.0660 133 E 4.1236 8.1401 117.5833 58.3720 29.7097 178.7470 134 S 4.2201 7.9548 113.9126 61.1799 62.4387 175.1793 135 T 4.4083 7.6936 109.7384 62.0238 68.6853 175.3388 136 K 4.2903 7.7195 119.1691 57.9862 34.3796 176.7229 137 T 4.0346 7.4719 105.8954 60.0805 70.6284 175.2964 138 G 3.9440 8.4859 110.4981 45.4963 0.0000 173.4562 139 N 4.3183 7.6634 114.2742 54.1674 36.4939 175.1025 140 A 4.6182 7.0117 119.9296 51.4668 20.1347 179.6525 141 G 4.0701 8.0093 103.2732 45.3886 0.0000 173.2038 142 S 4.4898 8.9695 118.0287 58.4055 64.9979 173.8178 143 R 4.5464 8.3322 119.1712 54.9944 30.4731 176.6039 144 L 4.4177 8.9954 124.9138 56.8418 43.4292 176.6160 145 A 4.8684 7.6027 117.3310 51.6128 22.5547 174.0548 146 C 5.5861 8.4460 113.1402 56.2281 46.7393 172.7629 147 G 4.6771 8.0011 104.7459 46.2304 0.0000 172.3784 148 V 4.4699 8.2432 120.6750 62.1963 32.8282 175.5212 149 I 4.1488 8.9748 129.3605 61.0885 37.9466 175.3606 150 G 4.4166 8.9515 114.7997 44.0326 0.0000 172.2819 151 I 4.3441 8.2904 121.8342 61.0438 37.6346 175.5211 152 A 4.9143 8.4709 128.5722 49.7170 21.9163 176.5639 153 Q 4.1077 8.4848 115.9487 56.5020 28.9832 176.1311 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 A 8.26 4.57 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 2 T 8.92 4.40 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 1.23 0.00 0.00 3 K 8.88 5.34 0.00 1.70 1.72 0.00 1.95 0.00 0.00 1.95 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.49 7.81 4 A 9.10 5.34 1.13 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 0.00 0.00 5 V 8.96 5.02 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 0.83 0.00 0.00 0.94 0.00 0.00 6 C 9.11 4.94 0.00 3.14 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 7 V 8.47 4.56 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 8.68 4.88 0.00 1.75 1.59 1.02 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.07 4.99 0.00 1.65 1.62 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.38 7.81 10 G 8.01 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.86 4.60 0.00 2.68 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 12 G 7.67 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 0.00 0.00 0.00 0.00 13 P 0.00 4.59 0.00 2.18 2.14 0.00 3.76 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 2.08 1.93 0.00 14 V 7.58 4.24 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 0.94 0.00 0.00 15 Q 8.82 4.92 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.38 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 16 G 8.71 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 0.00 0.00 0.00 0.00 17 I 8.57 5.13 1.80 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 1.20 1.15 0.82 0.00 0.00 18 I 8.84 4.70 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.21 0.41 0.00 0.00 19 N 8.55 4.80 0.00 1.44 1.42 0.00 0.00 6.45 5.12 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 20 F 8.94 5.46 0.00 2.90 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 21 E 9.68 5.25 0.00 2.42 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 2.39 0.00 22 Q 9.39 4.96 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 23 K 8.99 4.18 0.00 1.81 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.46 1.49 7.81 24 E 7.81 4.74 0.00 1.98 1.78 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 2.30 2.28 0.00 25 S 8.80 4.26 0.00 3.98 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 26 N 8.93 4.15 0.00 2.90 2.94 0.00 0.00 6.97 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 27 G 8.09 4.03 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 0.00 0.00 0.00 28 P 0.00 4.68 0.00 2.22 2.10 0.00 3.76 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 1.98 0.00 29 V 8.83 4.63 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 1.37 0.00 0.00 1.06 0.00 0.00 30 K 9.33 4.95 0.00 1.90 1.77 0.00 1.48 0.00 0.00 1.49 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.41 7.81 31 V 9.18 4.85 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 0.68 0.00 0.00 1.15 0.00 0.00 32 W 8.53 5.50 0.00 3.51 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 33 G 7.42 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 34 S 7.79 5.05 0.00 3.89 3.61 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 35 I 8.72 5.21 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.54 0.87 0.00 0.00 36 K 9.38 4.80 0.00 1.71 1.85 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.33 7.81 37 G 8.88 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 0.00 0.00 0.00 38 V 7.34 4.33 1.75 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 0.75 0.00 0.00 0.87 0.00 0.00 39 T 8.11 4.31 4.27 0.00 0.00 0.00 0.00 0.00 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 40 E 8.63 4.11 0.00 2.07 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 2.30 2.47 0.00 41 G 8.27 3.75 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 0.00 0.00 0.00 42 L 8.15 4.86 0.00 1.50 1.74 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.19 5.04 0.00 3.01 3.31 0.00 5.63 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 44 G 8.99 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 0.00 0.00 0.00 45 F 8.77 5.49 0.00 3.01 2.90 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 46 H 8.78 5.00 0.00 3.07 3.08 0.00 5.85 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.47 4.38 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 0.89 0.00 0.00 0.87 0.00 0.00 48 H 9.37 5.14 0.00 3.15 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.96 3.78 0.00 1.59 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 1.48 2.16 0.00 50 F 8.10 5.03 0.00 3.12 2.84 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 51 G 8.43 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.82 0.00 2.61 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 53 N 8.58 5.14 0.00 2.75 2.69 0.00 0.00 6.89 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 54 T 8.69 3.83 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 1.33 0.00 0.00 55 A 7.99 4.62 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 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 57 C 8.66 4.33 0.00 2.98 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 58 T 8.07 3.75 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 1.26 0.00 0.00 59 S 7.98 4.30 0.00 4.12 4.03 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 60 A 7.60 4.48 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.17 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 0.00 0.00 0.00 62 P 0.00 4.71 0.00 2.03 2.19 0.00 3.51 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 1.92 1.96 0.00 63 H 8.42 4.34 0.00 2.78 3.15 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 64 F 8.98 4.27 0.00 2.92 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 65 N 7.82 5.06 0.00 2.57 2.43 0.00 0.00 6.94 7.71 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 66 P 0.00 4.17 0.00 2.09 1.99 0.00 2.95 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.21 0.00 67 L 7.62 4.32 0.00 1.55 1.68 0.92 0.90 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 68 S 7.46 3.61 0.00 4.00 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 69 R 8.26 4.45 0.00 1.86 1.96 0.00 3.37 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 70 K 8.49 4.40 0.00 1.61 1.81 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.37 7.81 71 H 8.54 3.84 0.00 3.15 3.21 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.46 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 73 G 8.99 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 0.00 0.00 0.00 0.00 74 P 0.00 4.42 0.00 2.23 2.36 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 75 K 7.95 4.25 0.00 1.77 1.90 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 76 D 7.57 4.76 0.00 2.82 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 77 E 8.76 3.89 0.00 1.92 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 2.28 2.29 0.00 78 E 7.98 4.22 0.00 2.06 1.82 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 2.33 2.30 0.00 79 R 7.72 4.71 0.00 1.83 1.87 0.00 3.28 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 80 H 9.44 4.49 0.00 3.44 3.35 0.00 5.67 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 81 V 8.47 3.42 1.46 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 0.78 0.00 0.00 0.44 0.00 0.00 82 G 8.15 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 0.00 0.00 0.00 83 D 8.20 5.06 0.00 2.72 2.79 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 84 L 8.55 4.59 0.00 1.76 1.88 0.91 0.95 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 85 G 8.73 4.16 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 0.00 0.00 0.00 86 N 8.63 5.62 0.00 2.59 2.70 0.00 0.00 6.63 7.68 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 87 V 8.60 4.36 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 -0.21 0.00 0.00 0.79 0.00 0.00 88 T 8.30 4.99 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 1.20 0.00 0.00 89 A 9.01 4.89 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 90 D 8.40 4.90 0.00 2.93 2.84 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 91 K 8.44 4.04 0.00 1.72 1.88 0.00 1.68 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.52 7.81 92 D 8.07 4.38 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 93 G 8.56 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 0.00 0.00 0.00 0.00 94 V 7.98 4.85 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 1.00 0.00 0.00 0.92 0.00 0.00 95 A 9.12 4.99 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 0.00 0.00 0.00 0.00 0.00 96 D 8.66 5.09 0.00 2.55 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 V 8.87 4.25 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 0.81 0.00 0.00 0.59 0.00 0.00 98 S 8.67 4.98 0.00 3.89 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 99 I 9.33 4.82 2.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.63 1.03 0.00 0.00 100 E 8.86 5.21 0.00 1.96 1.82 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 2.21 2.31 0.00 101 D 9.33 4.88 0.00 2.86 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 0.00 102 S 8.95 4.67 0.00 3.92 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 0.00 103 V 7.97 4.05 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 0.81 0.00 0.00 0.95 0.00 0.00 104 I 7.76 3.99 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.81 1.03 0.00 0.00 105 S 8.38 4.65 0.00 3.88 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 0.00 106 L 8.91 4.47 0.00 1.76 1.63 1.03 0.89 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 0.00 107 S 7.73 4.52 0.00 3.96 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 0.00 108 G 8.49 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 0.00 109 D 8.63 4.54 0.00 2.85 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 0.00 110 H 8.12 5.00 0.00 3.27 3.47 0.00 5.64 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.90 4.50 0.00 3.04 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 0.00 112 I 8.08 3.92 1.61 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.14 0.95 0.00 0.00 113 I 7.32 3.69 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.36 0.84 0.00 0.00 114 G 9.48 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 0.00 115 R 7.43 4.96 0.00 1.63 1.85 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.32 0.00 116 T 7.90 5.00 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 117 L 8.60 4.82 0.00 1.78 1.53 0.39 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.65 4.98 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 0.71 0.00 0.00 0.75 0.00 0.00 119 V 8.61 5.05 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.98 0.00 0.00 120 H 9.08 5.24 0.00 3.29 3.58 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.03 4.20 0.00 2.03 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 2.35 0.00 122 K 8.44 4.79 0.00 1.83 1.68 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.38 7.81 123 A 8.38 4.50 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 0.00 124 D 9.40 4.91 0.00 2.76 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 0.00 125 D 9.22 4.62 0.00 2.96 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 0.00 126 L 9.27 3.42 0.00 1.81 1.79 0.94 1.09 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 0.00 127 G 8.30 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 0.00 0.00 0.00 0.00 128 K 7.95 4.54 0.00 1.92 1.80 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.34 7.81 129 G 7.96 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 0.00 130 G 8.31 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 0.00 131 N 7.54 5.01 0.00 2.85 2.93 0.00 0.00 5.79 7.66 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 0.00 132 E 8.54 3.98 0.00 2.05 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 2.37 2.39 0.00 133 E 8.14 4.12 0.00 2.16 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 2.39 2.41 0.00 134 S 7.95 4.22 0.00 4.11 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 0.00 135 T 7.69 4.41 4.24 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 1.21 0.00 0.00 136 K 7.72 4.29 0.00 1.67 1.79 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.43 7.81 137 T 7.47 4.03 4.16 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 1.12 0.00 0.00 138 G 8.49 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 0.00 139 N 7.66 4.32 0.00 2.96 2.92 0.00 0.00 6.82 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 0.00 140 A 7.01 4.62 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 0.00 141 G 8.01 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 0.00 0.00 0.00 0.00 142 S 8.97 4.49 0.00 3.94 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 0.00 143 R 8.33 4.55 0.00 1.68 1.82 0.00 3.18 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.63 0.00 144 L 9.00 4.42 0.00 1.66 1.69 0.96 0.66 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 0.00 145 A 7.60 4.87 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 0.00 146 C 8.45 5.59 0.00 3.03 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 0.00 147 G 8.00 4.68 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 0.00 0.00 0.00 148 V 8.24 4.47 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 0.83 0.00 0.00 0.92 0.00 0.00 149 I 8.97 4.15 1.81 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.47 0.00 0.00 150 G 8.95 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 0.00 0.00 0.00 0.00 151 I 8.29 4.34 1.86 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 1.25 0.54 0.91 0.00 0.00 152 A 8.47 4.91 1.25 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 0.00 0.00 0.00 153 Q 8.48 4.11 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00