NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4380 8.1933 115.2873 58.5522 63.4111 174.9835 2 M 4.3622 8.5113 119.3281 54.4166 30.4539 174.7701 3 Q 4.4230 8.0407 123.5720 54.8977 36.9800 172.1789 4 D 4.7894 7.8625 119.5384 51.4910 42.5550 173.9882 5 P 4.4918 0.0000 0.0000 63.7779 32.4172 178.9368 6 I 3.4875 7.5175 118.2253 63.1052 37.3306 177.2556 7 A 3.9857 8.9466 122.5704 55.3490 18.1541 179.3927 8 D 4.2659 8.6672 117.6207 57.2405 39.1572 177.6823 9 M 3.7813 8.1808 118.7281 58.8673 31.8193 177.6509 10 L 3.9039 8.0631 117.9742 58.4792 41.9373 179.9949 11 T 3.9140 7.7175 114.9076 66.7517 68.4017 177.0271 12 R 3.8638 8.5370 120.5277 59.2357 30.2054 178.8692 13 I 3.6474 7.4433 112.4146 64.2671 37.4786 178.0879 14 R 3.9011 7.4297 120.0347 58.7393 30.0832 178.0679 15 N 4.5683 8.7632 116.8105 56.7401 38.6866 176.8701 16 G 3.8007 8.3166 106.4402 48.7822 0.0000 175.0763 17 Q 4.2819 8.2802 121.6045 58.3201 29.0117 179.1205 18 A 4.1954 7.8025 120.6588 53.9021 18.7818 177.7076 19 A 4.6449 8.2310 120.0171 54.0245 19.7796 175.7208 20 N 4.2849 8.2969 112.8727 55.1605 36.5494 175.2373 21 K 4.1780 7.7746 117.6763 55.7311 32.7923 175.3365 22 A 3.9772 8.0408 126.3216 53.8495 18.8575 176.9388 23 A 4.6256 7.3461 120.6353 50.4928 22.0525 176.1415 24 V 3.9465 8.4315 122.1950 62.8452 33.0544 175.1617 25 T 5.1805 8.0987 116.6545 62.5016 72.5556 173.1044 26 M 4.7806 8.3391 119.0664 53.3243 35.0521 172.0934 27 P 4.6572 0.0000 0.0000 63.1262 31.6749 176.0310 28 S 4.4167 8.8024 120.0837 58.6003 63.2400 173.4393 29 S 4.6647 8.4674 117.8841 55.5996 66.1081 174.9091 30 K 3.8786 8.9860 123.1839 60.0613 31.7032 179.0527 31 L 3.9787 7.8966 119.5711 57.9565 41.8942 178.8800 32 K 3.8773 8.2325 119.0617 59.3119 31.9486 179.4810 33 V 3.1900 7.5762 117.8124 65.7076 30.1147 177.6276 34 A 4.1702 7.8544 120.3317 55.1380 17.8890 179.1425 35 I 4.0003 7.2581 116.3639 62.8681 37.6640 177.8935 36 A 3.9226 7.2506 122.5383 54.6581 18.0666 178.8398 37 N 4.4137 8.5603 116.4596 57.1550 39.0413 177.0727 38 V 3.9379 7.2258 110.2874 63.7276 31.3311 175.2570 39 L 4.7715 8.2889 117.5229 56.4422 43.6291 178.9313 40 K 4.3800 8.2857 117.1461 58.7988 32.2853 177.1396 41 E 4.3134 8.5546 116.9355 56.9156 29.7078 176.1110 42 E 4.5606 7.8137 115.7640 56.0598 30.5522 175.1846 43 G 3.7623 8.0691 110.2956 45.5544 0.0000 172.5456 44 F 4.8699 8.6043 121.6555 58.1314 46.5947 174.6229 45 I 4.8081 7.3641 112.9540 59.1298 40.3707 175.4925 46 E 3.9081 8.9192 123.2205 57.7368 29.4602 177.1260 47 D 4.5736 6.9117 118.1333 53.2197 41.5390 174.6178 48 F 5.8220 7.3140 113.5149 54.1902 40.2632 174.8590 49 K 4.6118 8.8154 124.3625 55.2079 34.1755 174.7643 50 V 4.7666 7.7401 120.1482 58.9569 35.1304 175.0636 51 E 4.2977 8.6926 117.5586 58.8151 32.1003 175.1942 52 G 4.9401 9.2450 117.1472 46.7011 0.0000 173.1595 53 D 4.1424 8.5676 126.0936 54.9528 39.7882 177.3360 54 T 4.4619 7.4828 112.1826 61.9834 69.8942 173.8975 55 K 4.5441 7.5617 120.2075 53.3097 32.0301 172.8516 56 P 5.2293 0.0000 0.0000 62.8492 33.1680 176.3426 57 E 4.6643 8.2060 116.7428 55.4833 32.3226 174.5264 58 L 4.3323 9.5913 131.4246 55.2992 43.8659 175.4875 59 E 4.8377 8.5466 124.1065 54.7010 30.7256 172.0227 60 L 4.6108 8.1370 121.3145 53.8861 42.3438 177.1589 61 T 4.1986 8.4949 122.9606 62.5946 68.4566 174.7944 62 L 4.3760 7.6470 127.9573 54.9700 42.8977 175.9654 63 K 4.2755 8.6146 120.0127 55.5272 36.2240 174.2654 64 Y 5.3264 8.2229 119.1990 56.0108 41.4333 174.8280 65 F 5.1438 8.5750 123.8337 57.8315 38.8238 176.6762 66 Q 3.1251 8.7667 111.5359 59.1895 27.9405 177.3562 67 G 4.1241 8.7517 107.0241 45.1946 0.0000 171.7275 68 K 4.6307 7.7889 119.6974 53.9167 35.6735 175.1176 69 A 4.7826 8.3643 124.2945 51.4431 18.6270 176.6947 70 V 3.8682 7.5192 119.5120 65.2460 32.3498 177.6425 71 V 4.2722 7.5904 122.0905 62.0460 30.0220 176.6255 72 E 4.5496 7.7004 127.4106 53.5624 29.7634 176.2218 73 S 5.4957 6.6366 119.5046 58.8921 64.6530 175.1363 74 I 4.8533 7.1961 121.1276 59.7488 40.9022 175.3132 75 Q 4.6172 8.1369 124.2929 54.8284 33.1709 173.9924 76 R 4.2605 8.4324 123.2277 56.5574 31.0514 174.6530 77 V 4.1798 8.0250 118.5123 63.4768 34.3806 176.3016 78 S 4.3560 7.3798 116.4276 57.7401 61.3032 174.4052 79 R 4.1609 7.4320 118.5440 54.8667 29.5929 174.6774 80 P 4.3952 0.0000 0.0000 63.9466 31.6357 176.2588 81 G 4.1478 8.5574 106.2658 46.4540 0.0000 173.2606 82 L 4.4819 7.5800 119.2787 53.9905 45.4780 173.8551 83 R 3.8533 7.4327 114.5827 57.0173 30.8986 175.7456 84 I 4.6602 8.1072 123.0049 59.8026 40.2162 174.3281 85 Y 4.9728 8.4994 122.0975 56.4789 41.7077 174.8218 86 K 4.7880 8.5594 121.0753 54.8794 36.5610 176.3622 87 R 4.3903 8.9005 121.4916 54.8603 31.3725 177.8656 88 K 3.8870 8.7100 117.5158 60.6280 32.1907 178.2029 89 D 4.8327 8.0389 115.5038 54.3972 40.4904 176.3438 90 E 4.6543 8.2972 117.8758 55.2936 31.6595 176.0246 91 L 3.8568 7.3414 118.7512 53.9074 42.2595 175.5061 92 P 4.5467 0.0000 0.0000 62.9942 33.0818 176.7736 93 K 4.5801 8.1927 111.7475 56.9574 33.2196 174.8351 94 V 2.9939 7.4395 119.3936 65.2426 33.0402 175.2881 95 M 3.4066 9.5623 122.1326 58.4425 30.1251 175.8735 96 A 3.7032 8.7792 128.8302 52.8310 16.6672 178.9147 97 G 4.0946 8.0448 107.8555 46.5516 0.0000 175.0691 98 L 4.0159 8.1248 119.2555 56.7580 41.7758 176.6413 99 G 4.4538 7.6849 105.5233 44.3179 0.0000 172.7103 100 I 4.8861 8.4614 111.3587 58.9877 40.0944 174.6129 101 A 5.3820 8.1846 124.3434 48.7269 21.8509 175.5002 102 V 3.7644 8.4965 122.5107 64.1792 32.8626 174.9627 103 V 4.5847 8.6460 127.0931 61.2652 34.3405 174.6774 104 S 4.6955 8.6306 124.7563 57.6626 60.6531 173.7207 105 T 4.4495 8.1253 114.5232 60.0213 69.9365 175.8137 106 S 4.1217 8.5890 115.8757 60.6207 62.9721 174.5747 107 K 4.2265 7.5803 123.4129 54.8541 30.3241 175.4035 108 G 4.0366 7.5909 111.1926 44.7681 0.0000 171.1508 109 V 4.3934 8.0393 119.2795 62.6300 32.5425 174.8612 110 M 4.7632 9.0317 123.3914 54.1313 34.5658 173.8209 111 T 4.1446 8.5714 114.5215 62.3786 68.5827 173.9162 112 D 4.1702 8.2361 123.5428 57.8793 40.9266 178.4018 113 R 3.8033 8.0857 118.0273 59.5785 30.0916 177.9147 114 A 4.0954 7.8143 119.9723 54.9136 18.1835 179.3876 115 A 3.9213 7.7488 119.3608 55.5218 18.5652 180.0872 116 R 3.8778 7.8253 115.6888 59.2703 30.0972 178.7693 117 Q 3.9033 8.1751 118.9177 58.7757 29.0699 177.1807 118 A 4.2653 8.1253 118.5232 51.5574 19.5615 175.9473 119 G 3.7830 7.7434 106.6572 43.8722 0.0000 172.8084 120 L 4.3386 7.6958 123.4624 55.7974 43.5294 174.4844 121 G 4.1058 8.2629 107.2418 45.1261 0.0000 172.2270 122 G 4.1248 8.0261 105.2010 45.1366 0.0000 173.5080 123 E 3.8978 8.5614 120.9749 55.9311 29.9138 175.6407 124 I 3.7772 7.6761 125.4902 63.5591 38.6985 174.6150 125 I 4.2407 9.3461 124.8045 61.5232 39.7681 177.2283 126 C 4.8121 9.2102 127.3849 57.2630 33.5261 174.4192 127 Y 5.0191 8.0702 114.2191 56.2758 36.2791 176.8062 128 V 3.4871 7.7352 120.3676 63.5438 33.0947 176.6316 129 A 4.3940 8.0350 127.3961 52.8545 19.9319 176.0090 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 S 8.19 4.44 0.00 3.86 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 2 M 8.51 4.36 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 3 Q 8.04 4.42 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 4 D 7.86 4.79 0.00 2.64 2.52 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 5 P 0.00 4.49 0.00 2.23 2.11 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 6 I 7.52 3.49 1.84 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 1.22 0.87 0.00 0.00 7 A 8.95 3.99 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 8 D 8.67 4.27 0.00 2.89 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 9 M 8.18 3.78 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 10 L 8.06 3.90 0.00 1.72 1.68 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.72 3.91 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 12 R 8.54 3.86 0.00 1.86 1.98 0.00 3.32 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 13 I 7.44 3.65 1.84 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 1.55 0.74 0.89 0.00 0.00 14 R 7.43 3.90 0.00 1.77 2.24 0.00 3.25 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 15 N 8.76 4.57 0.00 2.86 2.84 0.00 0.00 6.77 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 16 G 8.32 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 17 Q 8.28 4.28 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 18 A 7.80 4.20 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 19 A 8.23 4.64 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 20 N 8.30 4.28 0.00 2.77 2.80 0.00 0.00 7.14 7.61 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 21 K 7.77 4.18 0.00 1.91 1.75 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.41 7.81 22 A 8.04 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.35 4.63 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 24 V 8.43 3.95 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 0.79 0.00 0.00 0.93 0.00 0.00 25 T 8.10 5.18 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 1.34 0.00 0.00 26 M 8.34 4.78 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 27 P 0.00 4.66 0.00 2.09 2.13 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 1.97 1.96 0.00 28 S 8.80 4.42 0.00 3.89 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 29 S 8.47 4.66 0.00 3.97 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 30 K 8.99 3.88 0.00 1.77 1.94 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.49 7.81 31 L 7.90 3.98 0.00 1.73 1.63 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.23 3.88 0.00 1.99 1.73 0.00 1.86 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 33 V 7.58 3.19 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 0.94 0.00 0.00 0.90 0.00 0.00 34 A 7.85 4.17 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 35 I 7.26 4.00 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 0.85 0.00 0.00 36 A 7.25 3.92 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.56 4.41 0.00 2.84 2.90 0.00 0.00 6.88 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 38 V 7.23 3.94 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 0.88 0.00 0.00 0.99 0.00 0.00 39 L 8.29 4.77 0.00 1.95 1.75 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.29 4.38 0.00 1.86 1.97 0.00 1.43 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.55 7.81 41 E 8.55 4.31 0.00 2.02 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 2.32 2.29 0.00 42 E 7.81 4.56 0.00 2.18 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 2.24 2.27 0.00 43 G 8.07 3.76 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 0.00 0.00 0.00 44 F 8.60 4.87 0.00 3.22 2.95 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 45 I 7.36 4.81 2.05 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.13 0.99 0.00 0.00 46 E 8.92 3.91 0.00 2.01 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 2.34 2.40 0.00 47 D 6.91 4.57 0.00 2.56 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 48 F 7.31 5.82 0.00 3.03 3.12 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 49 K 8.82 4.61 0.00 1.78 2.01 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.51 7.81 50 V 7.74 4.77 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 0.93 0.00 0.00 0.96 0.00 0.00 51 E 8.69 4.30 0.00 2.03 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 2.22 2.25 0.00 52 G 9.24 4.94 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 53 D 8.57 4.14 0.00 2.80 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 54 T 7.48 4.46 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 55 K 7.56 4.54 0.00 1.78 1.69 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.32 7.81 56 P 0.00 5.23 0.00 2.08 2.11 0.00 3.47 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.81 0.00 57 E 8.21 4.66 0.00 2.03 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 0.00 2.24 2.26 0.00 58 L 9.59 4.33 0.00 1.75 1.48 0.81 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.55 4.84 0.00 2.08 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 2.31 2.37 0.00 60 L 8.14 4.61 0.00 1.60 1.66 0.85 0.78 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 61 T 8.49 4.20 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 1.22 0.00 0.00 62 L 7.65 4.38 0.00 1.58 1.49 0.95 0.79 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 63 K 8.61 4.28 0.00 1.76 1.52 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.44 7.81 64 Y 8.22 5.33 0.00 3.06 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 65 F 8.57 5.14 0.00 2.91 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 66 Q 8.77 3.13 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 67 G 8.75 4.12 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 0.00 68 K 7.79 4.63 0.00 1.85 1.72 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.54 7.81 69 A 8.36 4.78 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 70 V 7.52 3.87 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 0.84 0.00 0.00 1.02 0.00 0.00 71 V 7.59 4.27 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 0.68 0.00 0.00 1.09 0.00 0.00 72 E 7.70 4.55 0.00 2.13 1.90 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 2.25 2.26 0.00 73 S 6.64 5.50 0.00 3.94 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 74 I 7.20 4.85 1.75 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 1.29 0.98 0.86 0.00 0.00 75 Q 8.14 4.62 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 76 R 8.43 4.26 0.00 1.77 1.77 0.00 3.31 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 77 V 8.02 4.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.46 0.00 0.00 78 S 7.38 4.36 0.00 3.84 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 79 R 7.43 4.16 0.00 2.00 2.00 0.00 2.99 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00 80 P 0.00 4.40 0.00 2.23 2.22 0.00 3.82 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 81 G 8.56 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.58 4.48 0.00 1.71 1.72 0.88 0.88 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 83 R 7.43 3.85 0.00 2.04 1.94 0.00 3.32 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 84 I 8.11 4.66 1.77 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 1.20 0.89 0.91 0.00 0.00 85 Y 8.50 4.97 0.00 2.76 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 86 K 8.56 4.79 0.00 1.71 1.68 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.49 7.81 87 R 8.90 4.39 0.00 2.07 1.88 0.00 3.41 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 88 K 8.71 3.89 0.00 1.93 2.09 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.49 7.81 89 D 8.04 4.83 0.00 2.68 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 90 E 8.30 4.65 0.00 2.13 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 2.24 2.25 0.00 91 L 7.34 3.86 0.00 1.57 1.63 0.94 1.07 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 92 P 0.00 4.55 0.00 1.97 2.07 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 93 K 8.19 4.58 0.00 1.83 1.90 0.00 1.55 0.00 0.00 1.83 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.31 7.81 94 V 7.44 2.99 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 0.91 0.00 0.00 0.42 0.00 0.00 95 M 9.56 3.41 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 96 A 8.78 3.70 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 97 G 8.04 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.12 4.02 0.00 1.76 1.75 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.68 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 0.00 0.00 0.00 0.00 100 I 8.46 4.89 1.91 0.00 0.00 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 1.49 0.95 0.99 0.00 0.00 101 A 8.18 5.38 1.04 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 0.00 102 V 8.50 3.76 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 0.99 0.00 0.00 0.89 0.00 0.00 103 V 8.65 4.58 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 0.98 0.00 0.00 1.00 0.00 0.00 104 S 8.63 4.70 0.00 3.95 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 0.00 105 T 8.13 4.45 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 1.25 0.00 0.00 106 S 8.59 4.12 0.00 3.87 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 K 7.58 4.23 0.00 1.70 1.73 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.37 7.81 108 G 7.59 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 0.00 109 V 8.04 4.39 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 0.87 0.00 0.00 0.93 0.00 0.00 110 M 9.03 4.76 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 111 T 8.57 4.14 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 1.28 0.00 0.00 112 D 8.24 4.17 0.00 2.78 2.63 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 0.00 113 R 8.09 3.80 0.00 1.91 1.88 0.00 3.25 0.00 0.00 3.33 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 114 A 7.81 4.10 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 0.00 115 A 7.75 3.92 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 0.00 116 R 7.83 3.88 0.00 1.90 1.98 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 117 Q 8.18 3.90 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 118 A 8.13 4.27 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 0.00 119 G 7.74 3.78 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 0.00 0.00 0.00 120 L 7.70 4.34 0.00 1.68 1.64 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.26 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 0.00 122 G 8.03 4.12 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 0.00 123 E 8.56 3.90 0.00 2.04 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 2.21 1.90 0.00 124 I 7.68 3.78 1.84 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 1.22 0.76 1.01 0.00 0.00 125 I 9.35 4.24 1.96 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 1.24 1.49 0.88 0.00 0.00 126 C 9.21 4.81 0.00 3.09 3.02 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 0.00 127 Y 8.07 5.02 0.00 2.66 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 0.00 128 V 7.74 3.49 1.77 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 -0.42 0.00 0.00 0.73 0.00 0.00 129 A 8.03 4.39 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