NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 3.7860 8.1985 121.6555 55.8933 31.3177 176.8062 0 A 3.8172 7.9770 119.6095 55.1761 18.0108 177.6261 1 M 3.8104 8.7599 118.1741 58.8122 32.4861 176.8524 2 F 3.9616 7.3203 116.0821 59.2059 38.9002 177.4019 3 E 4.2100 8.2015 117.9997 58.5291 29.4312 177.6480 4 R 4.6633 8.1174 116.4858 55.9276 30.8263 175.6613 5 F 5.2004 8.0749 117.8574 56.3413 40.1244 175.9384 6 T 4.2894 8.6435 115.3683 61.0907 69.7621 174.9244 7 D 4.3651 8.9036 120.1510 57.7866 41.0299 178.1478 8 R 3.8826 8.0647 118.2398 59.4458 30.0178 178.1579 9 A 4.0924 8.0135 120.4276 55.1475 18.3526 179.8414 10 R 4.0236 8.5878 117.0625 59.5539 30.0477 179.5230 11 R 3.9907 8.3164 118.1991 59.0301 29.9444 179.1515 12 V 3.6490 8.0558 118.2637 66.1935 31.3764 178.2311 13 I 3.8680 7.7829 119.3290 64.2080 37.0093 178.5952 14 V 3.5557 7.8538 119.2241 66.0924 31.3455 178.2009 15 L 4.0499 8.4061 118.7924 57.5391 41.3915 179.3320 16 A 4.1700 8.2377 121.2516 55.1557 18.3228 179.4727 17 Q 3.7997 7.8898 118.2067 59.2671 29.0994 178.1681 18 E 3.9324 7.9953 119.1486 59.5718 28.9720 179.2271 19 E 3.9357 8.4441 118.4198 59.2400 29.4369 179.3158 20 A 3.7784 8.0249 120.8056 55.2019 18.4051 179.9178 21 R 3.7836 7.9516 116.5319 59.6484 29.8658 179.2499 22 M 4.1331 8.0784 117.6701 57.3598 32.0944 177.7232 23 L 4.5865 7.3422 116.2011 53.0233 42.5709 176.0705 24 N 4.2375 7.7765 116.0524 54.4646 36.8207 173.5045 25 H 4.9316 7.9272 113.8671 54.4972 30.2546 175.5069 26 N 4.8775 8.4081 121.3005 52.2960 37.8716 173.9061 27 Y 4.9065 6.6026 114.4513 56.9031 41.5115 174.1358 28 I 4.1785 9.1485 122.6717 60.1675 38.7277 175.6965 29 G 4.4824 9.0147 115.0938 44.6126 0.0000 173.2549 30 T 4.0814 8.8323 110.2707 65.1313 68.1230 175.7821 31 E 3.9661 8.2578 119.5928 59.7838 29.3689 178.8597 32 H 4.3020 8.1663 117.0355 58.3722 28.6844 177.8929 33 I 3.8395 7.8412 121.4164 64.2038 37.0271 178.0275 34 L 3.9598 8.0669 121.2055 58.0755 41.9656 178.8725 35 L 4.1045 8.1905 119.1616 57.8601 41.5972 179.6922 36 G 3.7244 8.4906 105.9167 47.7502 0.0000 175.3109 37 L 4.0022 8.2035 123.2617 57.9719 41.9383 179.1874 38 I 3.8631 7.7485 111.4561 63.8068 37.6680 177.4140 39 H 4.3166 7.9925 119.7776 59.0198 29.7962 176.4870 40 E 4.0385 8.1931 120.1525 58.5191 29.6192 177.9116 41 G 3.9353 7.8693 103.3658 46.1356 0.0000 173.4633 42 E 4.5866 8.8884 116.1779 55.0759 31.6205 176.6374 43 G 4.1419 7.6013 107.2056 43.5984 0.0000 174.0503 44 V 3.5685 8.1788 117.7391 65.7225 31.5787 178.6321 45 A 3.8724 7.7661 120.0282 55.2409 18.2233 179.4643 46 A 3.9389 7.8989 118.5533 55.3407 18.4340 179.8891 47 K 3.9417 8.0750 116.6990 59.2727 32.0751 179.5534 48 A 3.9293 8.1700 121.5473 55.0642 18.3480 179.6549 49 L 3.9167 7.8869 117.4609 58.1117 41.7263 179.7078 50 E 3.9898 8.2602 118.4369 59.5072 29.1450 179.5074 51 S 4.1541 8.1480 114.6031 61.6605 62.9687 175.8305 52 M 4.3811 7.6782 118.1240 54.8519 31.9114 176.7964 53 G 3.8456 7.8295 107.1324 46.2560 0.0000 173.3873 54 I 4.2424 7.5650 120.7091 59.1647 38.2661 176.4695 55 S 4.2120 8.5026 120.3631 58.1168 63.7279 174.6941 56 L 4.0150 8.5507 128.9573 58.0271 41.4295 179.3419 57 D 4.3414 8.1016 118.1503 57.2261 40.8369 178.4439 58 A 3.9598 8.1336 121.2775 55.1037 18.4107 179.6650 59 V 3.5135 7.8489 116.7073 66.2190 31.5891 178.0851 60 R 3.9072 8.1180 118.5100 59.4931 29.8646 178.3147 61 Q 4.0332 8.2706 117.5021 59.4585 28.5412 178.6002 62 E 3.9278 8.2420 120.5463 58.9694 29.5504 179.4876 63 V 3.5907 7.8721 118.2206 66.1763 31.6350 177.9802 64 E 4.0114 8.6880 118.7370 59.2530 29.0136 178.9505 65 E 3.9443 8.2061 118.8194 59.2786 29.7708 178.7403 66 I 3.8797 7.4762 118.5385 64.1835 37.3399 177.8954 67 I 4.1399 7.9437 111.8261 61.5776 38.4899 178.2927 68 G 3.6947 8.3749 110.1532 46.9796 0.0000 172.9118 69 Q 4.5396 8.6055 121.4808 53.8420 31.3231 175.7429 70 G 4.0141 8.7555 111.8689 44.9364 0.0000 173.2362 71 S 4.7232 8.4438 110.6793 58.0147 63.2592 174.3269 72 Q 4.6196 8.0172 116.9316 52.3845 28.4183 173.1269 73 P 4.3967 0.0000 0.0000 62.9866 32.3679 175.9396 74 T 4.6866 8.0644 115.5077 61.0723 70.4445 173.0341 75 T 4.4057 8.2446 113.0676 61.5301 70.5840 175.0451 76 G 3.8352 7.7510 110.2903 45.2034 0.0000 172.1299 77 H 4.1798 8.6267 118.6728 56.2571 30.3097 174.8055 78 I 4.3965 7.7516 126.8295 58.7841 38.6546 173.8512 79 P 4.3581 0.0000 0.0000 62.1764 32.9942 175.6555 80 F 5.1090 8.4507 120.0009 57.5008 39.6743 175.6761 81 T 4.1016 8.9598 113.1831 61.2643 69.6576 173.4658 82 P 4.2608 0.0000 0.0000 66.1477 31.3134 179.2663 83 R 3.9663 8.0163 116.0231 58.9373 30.1547 178.7664 84 A 4.0289 8.2805 120.8111 55.1207 18.5283 179.6881 85 K 3.6389 8.2805 117.1584 59.5023 32.0953 179.3960 86 K 4.0771 8.1138 119.7987 59.3958 32.0164 178.8288 87 V 3.5937 7.8613 118.6118 66.0640 31.4104 177.9854 88 L 4.0840 7.7089 118.0339 57.8530 41.3435 179.2801 89 E 3.9313 7.9868 118.1318 59.6061 29.3814 179.5233 90 L 4.0112 8.3411 119.2304 57.7420 41.5852 179.7926 91 S 4.2649 8.2987 115.2629 61.6910 62.8109 176.6135 92 L 3.8924 7.6868 121.0911 57.9608 41.3652 179.7214 93 R 3.8652 7.7337 118.4088 59.1236 29.9795 178.3295 94 E 4.0676 8.5877 119.1790 59.1853 29.4072 179.3052 95 G 2.2845 7.6319 105.5367 47.5423 0.0000 175.7012 96 L 3.8600 7.7397 122.0520 57.2556 41.3545 179.6929 97 Q 4.0996 7.9122 117.1386 58.2043 28.5812 177.7317 98 M 4.6552 7.1985 116.8670 54.5448 32.4833 176.2846 99 G 3.7110 7.8432 106.6507 46.2054 0.0000 173.4918 100 H 4.6927 7.9276 117.1470 53.4051 29.5001 174.4219 101 K 3.8201 8.6279 126.9174 58.3377 32.3633 176.2769 102 Y 4.9726 7.8548 116.5176 56.1313 39.5799 175.2975 103 I 4.5303 9.4791 119.5634 59.3689 40.4511 176.0049 104 G 4.5892 8.5363 113.3994 45.4701 0.0000 173.8432 105 T 4.0370 8.5776 109.4034 64.5130 68.6943 175.9311 106 E 3.7244 7.9990 120.2937 59.3423 29.2464 178.8572 107 F 4.4299 7.8361 118.0940 59.6435 38.9751 177.9264 108 L 4.2536 7.6425 120.0219 56.8914 41.5153 178.8959 109 L 3.9105 8.0071 120.3845 58.2705 42.0474 179.0800 110 L 4.1183 7.9995 119.0214 57.7031 41.5357 179.8015 111 G 3.6348 8.5311 106.1160 47.6631 0.0000 175.6041 112 L 4.0089 7.9375 120.6877 57.8097 41.8619 179.5339 113 I 3.8799 7.7077 119.4341 64.3718 36.8542 178.5308 114 R 3.8966 8.2435 118.8777 59.2312 30.1170 177.8384 115 E 4.0460 8.1815 119.5266 57.3119 29.3290 177.6415 116 G 4.2400 7.9472 109.0387 45.2587 0.0000 174.0847 117 E 4.3176 8.1620 117.0323 56.7720 30.7762 177.0615 118 G 3.9736 8.4082 106.4448 43.0607 0.0000 174.4952 119 V 3.5739 8.2948 118.1680 66.0449 31.2165 177.5119 120 A 3.9609 7.9725 119.9460 55.2927 18.2678 179.4562 121 A 3.9273 7.9530 118.5766 55.3782 18.5202 179.6077 122 Q 3.9226 8.4825 116.9766 59.0775 28.7922 179.3539 123 V 3.5635 8.1526 119.4744 66.0264 31.6328 178.1070 124 L 3.9594 8.1181 118.8842 57.8466 41.4805 179.6923 125 V 3.6077 8.3849 118.4904 66.0146 31.2316 178.2730 126 K 4.0810 7.9376 117.2445 59.0143 31.9711 178.5546 127 L 4.3059 7.7325 117.1503 55.2188 41.8404 177.7108 128 G 3.9038 8.0195 107.5302 45.1969 0.0000 174.6574 129 A 4.3404 7.5546 124.7483 50.7859 17.3669 177.1052 130 D 4.7166 7.4802 124.3976 51.3100 42.7082 177.4313 131 L 3.9243 8.3045 120.6927 57.8258 42.1021 176.8196 132 P 4.2307 0.0000 0.0000 66.2931 31.0560 178.4684 133 R 3.9441 8.6685 118.1648 58.7300 29.8609 179.1629 134 V 3.6667 7.9965 118.1424 65.6305 31.4883 178.2449 135 R 3.8960 8.2347 118.2524 59.3131 29.9466 178.7463 136 Q 3.9265 8.1577 119.1939 59.1154 29.0567 177.9430 137 Q 3.9275 8.0956 120.5560 59.3598 29.1188 178.6434 138 V 3.5037 7.9811 119.3261 65.8881 31.2805 177.9166 139 I 3.7207 7.7014 118.8362 64.4935 37.1345 177.8317 140 Q 4.0999 8.0817 120.2379 59.2479 28.7124 178.2446 141 L 4.0826 7.9355 118.4991 56.7920 41.7737 178.3427 142 L 4.4398 7.6692 117.1275 54.0181 42.2262 176.6602 143 S 4.5463 6.9271 114.2545 57.4131 64.7711 174.5705 144 G 4.0173 8.6670 108.9206 45.8901 0.0000 173.5676 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 Q 8.20 3.79 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.77 0.00 0.00 0.00 0.00 0.00 2.69 2.49 0.00 0 A 7.98 3.82 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 1 M 8.76 3.81 0.00 1.63 1.40 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 2 F 7.32 3.96 0.00 3.00 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 3 E 8.20 4.21 0.00 2.13 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 2.41 2.48 0.00 4 R 8.12 4.66 0.00 2.09 2.07 0.00 2.95 0.00 0.00 3.09 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.51 0.00 5 F 8.07 5.20 0.00 3.22 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 6 T 8.64 4.29 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 1.36 0.00 0.00 7 D 8.90 4.37 0.00 2.84 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 8 R 8.06 3.88 0.00 1.94 1.94 0.00 3.23 0.00 0.00 3.55 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 9 A 8.01 4.09 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 10 R 8.59 4.02 0.00 2.07 1.98 0.00 3.20 0.00 0.00 3.62 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.07 0.00 11 R 8.32 3.99 0.00 2.04 2.00 0.00 3.16 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 12 V 8.06 3.65 2.33 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 1.20 0.00 0.00 1.03 0.00 0.00 13 I 7.78 3.87 1.96 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.38 1.07 0.00 0.00 14 V 7.85 3.56 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 1.01 0.00 0.00 0.92 0.00 0.00 15 L 8.41 4.05 0.00 1.89 1.75 0.99 0.74 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 16 A 8.24 4.17 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 17 Q 7.89 3.80 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 18 E 8.00 3.93 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 19 E 8.44 3.94 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 20 A 8.02 3.78 1.03 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 21 R 7.95 3.78 0.00 1.99 1.93 0.00 3.08 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 22 M 8.08 4.13 0.00 1.95 2.24 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 2.76 2.54 0.00 23 L 7.34 4.59 0.00 1.58 1.40 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.78 4.24 0.00 2.94 2.77 0.00 0.00 6.93 8.29 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 25 H 7.93 4.93 0.00 2.71 2.12 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.41 4.88 0.00 2.83 3.04 0.00 0.00 5.95 7.55 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 27 Y 6.60 4.91 0.00 3.01 2.96 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 28 I 9.15 4.18 1.82 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.73 1.12 0.00 0.00 29 G 9.01 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 0.00 0.00 0.00 0.00 30 T 8.83 4.08 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 1.25 0.00 0.00 31 E 8.26 3.97 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 32 H 8.17 4.30 0.00 3.28 3.59 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.84 3.84 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.95 1.00 0.00 0.00 34 L 8.07 3.96 0.00 1.80 1.84 0.93 0.51 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 35 L 8.19 4.10 0.00 1.90 1.86 0.93 0.73 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 36 G 8.49 3.72 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 0.00 0.00 0.00 37 L 8.20 4.00 0.00 1.90 1.89 0.92 1.06 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 38 I 7.75 3.86 1.88 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 1.76 0.74 0.92 0.00 0.00 39 H 7.99 4.32 0.00 3.30 3.53 0.00 5.76 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.19 4.04 0.00 2.16 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 2.33 2.49 0.00 41 G 7.87 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 42 E 8.89 4.59 0.00 2.06 1.91 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 2.34 2.34 0.00 43 G 7.60 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.18 3.57 2.14 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 1.01 0.00 0.00 0.88 0.00 0.00 45 A 7.77 3.87 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 46 A 7.90 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.08 3.94 0.00 1.94 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.52 7.81 48 A 8.17 3.93 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 49 L 7.89 3.92 0.00 1.83 1.72 0.91 0.77 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 50 E 8.26 3.99 0.00 2.01 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 2.32 2.44 0.00 51 S 8.15 4.15 0.00 4.04 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 52 M 7.68 4.38 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 53 G 7.83 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 54 I 7.56 4.24 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.63 0.91 0.00 0.00 55 S 8.50 4.21 0.00 3.88 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 56 L 8.55 4.02 0.00 1.73 1.71 0.95 1.11 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 57 D 8.10 4.34 0.00 2.68 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 58 A 8.13 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.85 3.51 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 0.99 0.00 0.00 0.99 0.00 0.00 60 R 8.12 3.91 0.00 1.93 2.07 0.00 3.17 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 61 Q 8.27 4.03 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 62 E 8.24 3.93 0.00 2.02 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 0.00 2.49 2.46 0.00 63 V 7.87 3.59 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 1.08 0.00 0.00 1.00 0.00 0.00 64 E 8.69 4.01 0.00 2.10 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 2.34 2.43 0.00 65 E 8.21 3.94 0.00 1.99 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 2.33 2.40 0.00 66 I 7.48 3.88 2.01 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 1.59 0.77 0.92 0.00 0.00 67 I 7.94 4.14 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.65 0.97 0.00 0.00 68 G 8.37 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 69 Q 8.61 4.54 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 70 G 8.76 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 71 S 8.44 4.72 0.00 3.80 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 72 Q 8.02 4.62 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.98 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 73 P 0.00 4.40 0.00 2.02 2.04 0.00 3.64 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 2.01 2.05 0.00 74 T 8.06 4.69 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 75 T 8.24 4.41 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 1.19 0.00 0.00 76 G 7.75 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 77 H 8.63 4.18 0.00 3.04 3.19 0.00 5.89 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.75 4.40 1.65 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 1.28 0.62 0.73 0.00 0.00 79 P 0.00 4.36 0.00 2.16 2.19 0.00 3.80 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 2.11 2.02 0.00 80 F 8.45 5.11 0.00 3.04 3.01 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 81 T 8.96 4.10 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 1.26 0.00 0.00 82 P 0.00 4.26 0.00 2.18 2.16 0.00 3.60 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 2.12 2.21 0.00 83 R 8.02 3.97 0.00 1.84 2.12 0.00 3.30 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 84 A 8.28 4.03 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.28 3.64 0.00 1.96 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.48 1.76 7.81 86 K 8.11 4.08 0.00 1.82 1.99 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 87 V 7.86 3.59 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 1.10 0.00 0.00 0.97 0.00 0.00 88 L 7.71 4.08 0.00 1.78 1.75 0.33 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.99 3.93 0.00 2.17 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 2.27 2.45 0.00 90 L 8.34 4.01 0.00 1.78 1.72 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.30 4.26 0.00 4.00 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 92 L 7.69 3.89 0.00 1.83 1.68 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.73 3.87 0.00 1.79 2.06 0.00 3.07 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 94 E 8.59 4.07 0.00 2.28 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 2.56 2.54 0.00 95 G 7.63 2.28 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 96 L 7.74 3.86 0.00 1.61 1.64 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 7.91 4.10 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.08 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 98 M 7.20 4.66 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 99 G 7.84 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 0.00 100 H 7.93 4.69 0.00 2.78 3.36 0.00 5.85 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.63 3.82 0.00 1.53 1.55 0.00 1.57 0.00 0.00 1.47 0.00 0.00 2.56 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.43 1.10 7.81 102 Y 7.85 4.97 0.00 2.97 2.92 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 0.00 103 I 9.48 4.53 1.94 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.48 0.62 0.00 0.00 104 G 8.54 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.58 4.04 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 106 E 8.00 3.72 0.00 1.79 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 1.47 1.60 0.00 107 F 7.84 4.43 0.00 3.04 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 0.00 108 L 7.64 4.25 0.00 1.82 1.71 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.01 3.91 0.00 1.70 1.80 0.90 0.46 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 0.00 110 L 8.00 4.12 0.00 1.97 1.89 0.95 0.74 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 0.00 111 G 8.53 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.01 0.00 1.82 1.77 0.94 1.24 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 0.00 113 I 7.71 3.88 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.93 0.00 0.00 114 R 8.24 3.90 0.00 1.84 2.15 0.00 3.32 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 115 E 8.18 4.05 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 2.31 2.48 0.00 116 G 7.95 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 0.00 0.00 0.00 0.00 117 E 8.16 4.32 0.00 2.16 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 2.26 2.23 0.00 118 G 8.41 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 0.00 0.00 0.00 119 V 8.29 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 1.10 0.00 0.00 0.94 0.00 0.00 120 A 7.97 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.95 3.93 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 0.00 122 Q 8.48 3.92 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 123 V 8.15 3.56 2.19 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 1.04 0.00 0.00 0.97 0.00 0.00 124 L 8.12 3.96 0.00 1.78 1.83 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.38 3.61 2.14 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 1.03 0.00 0.00 0.99 0.00 0.00 126 K 7.94 4.08 0.00 1.82 1.86 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.74 1.62 7.81 127 L 7.73 4.31 0.00 1.78 1.71 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.02 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 0.00 129 A 7.55 4.34 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 0.00 130 D 7.48 4.72 0.00 2.96 2.82 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 0.00 131 L 8.30 3.92 0.00 1.78 1.71 0.93 0.81 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 0.00 132 P 0.00 4.23 0.00 2.30 2.31 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.07 0.00 133 R 8.67 3.94 0.00 1.95 2.01 0.00 3.33 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 134 V 8.00 3.67 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 1.07 0.00 0.00 0.94 0.00 0.00 135 R 8.23 3.90 0.00 2.11 1.99 0.00 3.20 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 1.69 1.76 0.00 136 Q 8.16 3.93 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 137 Q 8.10 3.93 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 138 V 7.98 3.50 2.10 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 0.71 0.00 0.00 0.77 0.00 0.00 139 I 7.70 3.72 2.03 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 1.45 0.74 0.93 0.00 0.00 140 Q 8.08 4.10 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 141 L 7.94 4.08 0.00 1.74 1.68 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.67 4.44 0.00 1.87 1.77 0.84 0.69 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 0.00 143 S 6.93 4.55 0.00 3.93 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 0.00 144 G 8.67 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00