NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 F 5.2181 8.2716 118.8330 56.9584 39.9358 176.5252 -1 Q 3.8083 9.3264 123.6038 55.8640 30.1756 174.7133 0 G 3.8682 8.0278 110.0311 45.1449 0.0000 171.8590 1 S 4.3467 7.9162 114.9048 58.0354 64.7802 174.9472 2 K 3.9407 8.5708 121.6566 60.3403 31.9926 178.9695 3 E 4.0306 8.1483 119.1593 59.0783 29.5537 178.8906 4 L 3.7547 7.8605 120.0320 58.0720 42.1310 178.9645 5 L 4.0077 8.1144 119.0410 57.6529 41.5101 179.4467 6 R 3.9861 8.0623 118.5763 59.6529 30.1411 178.4689 7 L 4.2959 8.3295 118.9876 58.1667 41.6116 179.6995 8 Q 4.1314 8.3303 117.9361 58.6981 28.5797 178.6703 9 K 3.9628 8.2989 120.6574 59.5593 32.2336 178.4304 10 E 4.1049 8.4787 118.9356 59.7483 29.4758 179.5512 11 L 3.6969 7.9694 118.5992 57.7126 41.7494 179.7843 12 K 3.9609 8.0386 118.4179 59.5025 31.8572 179.2452 13 D 4.3955 8.3678 119.3230 57.3092 40.5401 178.7601 14 I 3.7167 7.7826 119.5379 64.4975 37.2213 177.8255 15 E 4.0235 8.1135 118.7899 59.1032 29.4574 178.0332 16 N 4.6063 7.7725 115.0419 56.3725 39.2908 176.1285 17 E 4.5828 8.2796 119.4894 54.8696 33.4523 176.7878 18 N 4.6565 9.1258 118.6380 53.8246 38.0687 176.4496 19 V 4.8624 7.9294 120.0491 62.0059 32.2169 177.3095 20 Q 4.2961 8.0269 118.1683 58.0276 28.8103 176.9704 21 E 4.4126 8.0942 118.9466 57.9529 30.6740 175.7986 22 I 5.0796 7.9308 118.9369 59.7398 41.2349 173.8815 23 D 5.3064 9.1806 125.3673 52.9250 45.3853 173.7001 24 A 5.1031 8.2291 120.7779 51.4477 22.1244 175.0600 25 H 4.4717 8.3800 115.5540 53.5320 32.8877 172.8952 26 I 3.8660 7.6833 119.6363 61.1057 37.3763 176.4566 27 K 4.1602 8.5877 127.2722 58.8500 33.6051 176.7133 28 D 4.7335 8.3475 112.4410 54.5480 41.2328 175.4227 29 S 4.6166 9.2916 112.3085 57.8324 65.5721 173.0181 30 N 4.9536 7.8935 120.4469 51.5465 39.4667 174.9411 31 F 4.0839 9.2075 128.3535 60.2967 39.9296 175.2672 32 F 4.3479 9.3949 118.9537 57.3672 39.0940 174.4092 33 E 5.0139 8.5233 122.7976 54.6237 32.3641 174.3754 34 W 5.2942 9.1870 126.9051 54.9266 33.5527 174.6609 35 V 4.7145 8.4616 121.3254 61.3408 33.1535 174.9437 36 G 4.4898 8.9901 114.8897 44.5693 0.0000 171.6754 37 F 5.6780 8.9958 123.5789 56.2369 42.2476 174.2437 38 I 4.4845 8.3267 126.3645 58.8858 40.3848 174.6545 39 K 4.2587 8.1317 129.4393 55.7837 32.7737 176.7799 40 G 4.6611 8.9041 115.7117 45.3293 0.0000 171.7972 41 P 4.5713 0.0000 0.0000 62.2074 32.1351 176.1074 42 E 4.3357 8.8547 121.8568 57.5062 29.9118 176.4108 43 G 4.1096 9.0880 108.0282 46.7596 0.0000 173.1379 44 T 4.7877 7.3608 106.3638 58.4376 72.2078 172.5218 45 P 4.3322 0.0000 0.0000 64.3450 31.4039 176.8189 46 Y 5.0398 8.0032 116.7073 57.0853 38.2273 174.8850 47 E 4.4913 7.8417 122.2957 57.3495 30.0625 177.2305 48 G 3.9638 9.0789 113.5546 45.4508 0.0000 173.4242 49 G 3.8033 7.7290 107.0301 45.7748 0.0000 172.9897 50 H 5.4420 8.4823 119.1927 53.9989 31.7495 173.0030 51 F 5.0007 9.1230 123.3134 56.0951 41.2136 175.2625 52 T 5.1060 9.4178 121.4047 62.5739 70.2638 174.0641 53 L 5.2498 9.1298 124.6096 52.8460 46.6105 174.9866 54 A 4.8703 8.8358 122.6803 50.3522 21.4912 175.7540 55 I 4.5782 8.9440 124.6793 59.8255 39.7360 174.8126 56 T 4.8212 8.6092 119.1934 60.1058 70.5033 173.6668 57 I 4.3656 8.4197 128.7176 58.6419 38.5416 174.5115 58 P 4.4899 0.0000 0.0000 62.1760 32.0355 177.0265 59 N 4.0426 8.5080 116.6738 54.8598 37.6194 175.3372 60 D 4.6127 7.9383 117.5753 52.6551 40.1620 175.2339 61 Y 4.4660 7.6125 121.2002 58.3325 39.0147 173.9760 62 P 3.6063 0.0000 0.0000 62.9050 31.6414 176.0913 63 Y 4.6034 8.1363 116.6398 59.5405 38.3509 175.3407 64 N 5.1351 7.7979 116.0991 50.2842 42.5846 172.3471 65 P 2.9700 0.0000 0.0000 61.0480 32.1450 174.3614 66 P 4.3344 0.0000 0.0000 62.8208 32.3970 175.3318 67 K 4.5103 8.6116 120.5587 55.1406 34.0304 175.8353 68 I 5.1386 8.1391 124.2754 59.4528 40.8572 174.7276 69 K 4.8319 8.5234 123.5139 55.2879 36.2284 175.6378 70 F 4.4033 9.7259 120.8918 57.9565 39.9166 176.2170 71 V 4.1190 8.9476 121.6546 65.2402 32.5635 176.8661 72 T 4.1903 8.1451 115.8851 63.4492 68.8426 174.2844 73 K 4.2630 8.7580 127.3126 56.4952 32.8278 175.8055 74 I 4.8058 8.3306 123.2816 59.7710 40.7995 173.2520 75 W 4.3799 8.9139 135.0000 56.3888 30.7738 174.6060 76 H 4.8558 7.7067 124.3770 54.1754 32.4450 172.7392 77 P 3.9874 0.0000 0.0000 65.2854 31.1934 177.1434 78 N 4.8500 7.9737 114.4357 52.6395 38.6194 174.4425 79 I 4.6143 7.3445 118.8703 59.3211 41.3157 174.8990 80 S 4.1527 8.8030 120.5894 58.4752 62.3190 175.0713 81 S 4.7489 9.3847 122.7135 59.7138 62.9761 174.8087 82 Q 4.6172 8.1135 118.9159 56.3079 30.6511 176.0530 83 T 4.4208 7.7297 104.3402 60.2593 70.2420 175.0959 84 G 4.0376 8.7581 109.9318 45.9880 0.0000 173.5249 85 A 4.4251 7.5553 122.8714 51.9811 18.9724 177.0886 86 I 4.9637 7.8658 113.2669 58.8525 40.7712 174.7089 87 C 4.3130 8.5607 122.1023 59.2819 31.5300 173.6012 88 L 4.7222 8.2945 126.9555 54.6357 42.2361 177.9179 89 D 4.4015 8.1682 121.9464 57.8333 40.6204 178.5264 90 V 3.6087 7.8309 118.0798 66.1681 31.5678 177.9097 91 L 4.1092 7.9280 118.9166 58.7446 40.1375 178.2067 92 K 3.7753 8.3616 120.2668 60.0081 32.1434 177.6865 93 N 4.6309 8.4204 116.2085 54.4817 37.9134 176.1307 94 E 4.2495 8.3085 120.0995 56.1006 30.2495 176.4931 95 W 4.0834 7.6395 130.3270 57.3856 31.5238 175.0825 96 S 4.4917 6.9547 117.9019 56.0596 65.1837 173.3084 97 P 4.2791 0.0000 0.0000 65.3526 31.3124 177.5295 98 A 4.0168 7.4033 120.5293 54.3506 18.5755 178.1284 99 L 3.9926 7.2811 115.3763 54.6705 42.2234 176.7576 100 T 5.2244 8.0654 109.8374 59.2667 73.1759 175.1849 101 I 3.8193 9.2694 123.4966 64.8187 37.2124 178.6373 102 R 3.9780 8.3536 119.2223 59.9195 29.7863 178.3993 103 T 4.1074 8.0554 109.0810 64.4886 68.7197 176.5285 104 A 4.1120 8.4936 123.9530 55.1786 18.3374 179.6655 105 L 3.9295 8.3498 117.7029 57.8631 41.6280 179.6359 106 L 3.9914 8.5270 119.6567 57.7618 41.6906 179.5325 107 S 4.2221 8.2540 113.6236 60.6638 63.2595 176.6247 108 I 3.7816 7.3621 124.2107 64.2600 37.0691 177.8032 109 Q 3.9220 8.3421 120.4237 58.9643 28.5575 178.1893 110 A 3.9906 7.9975 121.2284 55.2675 18.7990 178.9457 111 L 4.0417 7.7306 116.9900 58.1883 41.4626 179.8087 112 L 3.7788 7.3785 117.1377 58.0875 41.6650 179.6991 113 S 4.5491 7.8743 113.2281 60.4445 63.9410 174.6578 114 D 4.7813 7.6183 120.0706 52.0234 41.7960 172.4867 115 P 4.4348 0.0000 0.0000 62.2509 32.6097 176.9796 116 Q 4.5217 7.9349 120.6461 53.1025 28.2445 174.5036 117 P 4.1702 0.0000 0.0000 65.0936 31.8385 178.3297 118 D 4.4809 7.9723 117.2583 55.7653 41.6805 175.9436 119 D 4.9791 7.5745 118.6407 52.2709 40.7517 174.0552 120 P 4.5278 0.0000 0.0000 62.3865 33.1715 176.5081 121 Q 4.2595 8.9391 118.7117 56.4911 30.4902 176.0491 122 D 4.7022 7.5364 117.0169 51.9337 43.1273 176.0179 123 A 3.9409 8.4611 129.8392 55.3841 18.6026 178.8953 124 E 3.9378 8.1068 116.5985 59.4105 29.5972 179.5383 125 V 3.1240 7.6405 118.1310 65.6234 31.4448 178.0373 126 A 3.8515 7.9652 120.6759 54.7567 18.1195 179.3040 127 K 3.8116 8.2356 118.4851 60.1287 32.2298 178.6798 128 M 4.0349 8.0550 117.9550 58.6604 31.9415 177.5101 129 Y 3.8452 7.9831 119.1839 60.4908 39.0060 178.0658 130 K 4.0075 7.9352 117.9585 59.6928 32.4200 179.1160 131 E 4.3502 8.7164 117.9964 58.3276 30.4965 177.1167 132 N 4.8548 8.2840 117.8271 51.8812 40.3150 173.7266 133 H 4.2915 8.5753 123.7454 58.4182 29.7749 176.1723 134 A 4.1041 7.9976 121.9918 54.4009 18.1693 179.2027 135 L 3.9385 7.8333 118.9902 57.9672 42.2579 178.2758 136 F 4.2023 8.1115 120.7224 61.7037 39.1564 177.4213 137 V 3.3817 7.9080 117.3276 65.9179 31.2931 178.1597 138 K 3.9016 7.5504 117.1780 59.6041 31.8004 179.5704 139 T 3.5319 8.3204 116.0769 66.4557 68.2783 176.6131 140 A 3.9478 7.8041 123.0439 55.0699 18.2621 179.6091 141 S 4.1631 8.0909 113.3140 60.8663 62.4791 176.2962 142 V 3.5495 7.8617 120.9430 66.1746 31.2935 177.9550 143 W 4.3757 8.7182 118.5298 60.1990 28.3643 178.7272 144 T 4.1608 8.3048 115.6906 66.7082 67.8113 176.5433 145 K 4.1934 8.0003 117.8335 58.1048 32.2712 178.8983 146 T 3.9335 7.4585 115.6246 65.5497 69.0576 176.3452 147 F 4.8624 8.2716 116.5876 57.4236 39.9526 176.2845 148 A 4.6252 7.7506 121.8620 51.7052 19.3014 176.1337 149 T 4.3369 8.0040 113.5671 62.7006 68.1889 173.4943 150 G 3.9237 8.4449 114.1660 44.0089 0.0000 171.8175 151 P 4.2933 0.0000 0.0000 62.9466 31.0607 176.2795 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 F 8.27 5.22 0.00 3.09 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 -1 Q 9.33 3.81 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.08 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 0 G 8.03 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 1 S 7.92 4.35 0.00 4.18 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 2 K 8.57 3.94 0.00 2.03 2.14 0.00 1.48 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.51 7.81 3 E 8.15 4.03 0.00 2.25 2.29 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 2.75 2.72 0.00 4 L 7.86 3.75 0.00 1.74 1.65 0.61 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.11 4.01 0.00 1.93 1.77 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.06 3.99 0.00 2.16 2.29 0.00 3.31 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 7 L 8.33 4.30 0.00 1.95 2.17 0.27 0.88 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 8 Q 8.33 4.13 0.00 2.27 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 9 K 8.30 3.96 0.00 1.92 2.06 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.56 7.81 10 E 8.48 4.10 0.00 2.57 2.37 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 2.55 2.84 0.00 11 L 7.97 3.70 0.00 1.67 1.40 0.35 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.04 3.96 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.64 7.81 13 D 8.37 4.40 0.00 2.90 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 14 I 7.78 3.72 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 0.94 0.00 0.00 15 E 8.11 4.02 0.00 2.02 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 0.00 2.30 2.31 0.00 16 N 7.77 4.61 0.00 2.93 2.87 0.00 0.00 7.06 7.17 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 17 E 8.28 4.58 0.00 2.19 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 2.37 2.49 0.00 18 N 9.13 4.66 0.00 2.83 2.77 0.00 0.00 7.67 6.93 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 19 V 7.93 4.86 2.31 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 0.80 0.00 0.00 0.94 0.00 0.00 20 Q 8.03 4.30 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 21 E 8.09 4.41 0.00 2.19 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 2.42 2.31 0.00 22 I 7.93 5.08 1.92 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 1.13 0.96 0.95 0.00 0.00 23 D 9.18 5.31 0.00 3.11 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 24 A 8.23 5.10 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 25 H 8.38 4.47 0.00 3.02 3.20 0.00 5.47 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.68 3.87 1.65 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.29 0.90 0.00 0.00 27 K 8.59 4.16 0.00 1.77 1.86 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.40 7.81 28 D 8.35 4.73 0.00 2.60 2.32 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 29 S 9.29 4.62 0.00 3.88 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 30 N 7.89 4.95 0.00 2.78 2.77 0.00 0.00 6.79 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 31 F 9.21 4.08 0.00 3.12 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 32 F 9.39 4.35 0.00 3.25 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 33 E 8.52 5.01 0.00 2.10 1.83 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 2.22 2.35 0.00 34 W 9.19 5.29 0.00 3.14 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 35 V 8.46 4.71 1.88 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 0.94 0.00 0.00 0.93 0.00 0.00 36 G 8.99 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.00 5.68 0.00 3.13 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 38 I 8.33 4.48 1.79 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 0.98 0.44 0.82 0.00 0.00 39 K 8.13 4.26 0.00 2.04 1.73 0.00 1.95 0.00 0.00 2.03 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.57 7.81 40 G 8.90 4.66 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 0.00 0.00 0.00 41 P 0.00 4.57 0.00 2.30 2.05 0.00 3.80 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 42 E 8.85 4.34 0.00 2.00 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 2.38 2.31 0.00 43 G 9.09 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 44 T 7.36 4.79 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 45 P 0.00 4.33 0.00 1.66 2.08 0.00 3.63 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 1.12 1.88 0.00 46 Y 8.00 5.04 0.00 3.18 3.26 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 0.00 47 E 7.84 4.49 0.00 2.15 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 2.37 2.51 0.00 48 G 9.08 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 49 G 7.73 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 50 H 8.48 5.44 0.00 3.05 3.52 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 9.12 5.00 0.00 3.27 3.31 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 52 T 9.42 5.11 4.36 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 1.28 0.00 0.00 53 L 9.13 5.25 0.00 1.38 1.40 0.73 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.84 4.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.94 4.58 1.80 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 1.20 0.79 0.53 0.00 0.00 56 T 8.61 4.82 4.23 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 1.31 0.00 0.00 57 I 8.42 4.37 1.52 0.00 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 -0.12 0.23 0.00 0.00 58 P 0.00 4.49 0.00 2.48 2.14 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 59 N 8.51 4.04 0.00 2.54 2.52 0.00 0.00 6.00 8.06 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 60 D 7.94 4.61 0.00 2.86 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 61 Y 7.61 4.47 0.00 3.14 3.05 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 62 P 0.00 3.61 0.00 2.14 1.58 0.00 4.03 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 2.07 1.99 0.00 63 Y 8.14 4.60 0.00 3.03 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.80 5.14 0.00 2.84 2.60 0.00 0.00 6.99 8.02 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 65 P 0.00 2.97 0.00 1.77 1.63 0.00 3.64 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 1.79 1.87 0.00 66 P 0.00 4.33 0.00 1.80 1.64 0.00 2.47 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 67 K 8.61 4.51 0.00 1.63 1.68 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.30 7.81 68 I 8.14 5.14 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.47 0.74 0.00 0.00 69 K 8.52 4.83 0.00 1.94 1.84 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.44 7.81 70 F 9.73 4.40 0.00 3.15 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 71 V 8.95 4.12 2.29 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 0.82 0.00 0.00 0.97 0.00 0.00 72 T 8.15 4.19 4.73 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 1.45 0.00 0.00 73 K 8.76 4.26 0.00 1.45 1.25 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.57 1.32 7.81 74 I 8.33 4.81 1.93 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.03 0.34 0.00 0.00 75 W 8.91 4.38 0.00 2.58 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 76 H 7.71 4.86 0.00 2.93 2.78 0.00 5.73 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 3.99 0.00 1.86 1.83 0.00 3.10 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.00 78 N 7.97 4.85 0.00 2.70 2.80 0.00 0.00 6.69 7.45 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 79 I 7.34 4.61 1.55 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.20 0.68 0.00 0.00 80 S 8.80 4.15 0.00 3.84 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 81 S 9.38 4.75 0.00 4.34 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.11 4.62 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 83 T 7.73 4.42 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 1.23 0.00 0.00 84 G 8.76 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 85 A 7.56 4.43 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 86 I 7.87 4.96 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.79 1.11 0.00 0.00 87 C 8.56 4.31 0.00 2.93 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 88 L 8.29 4.72 0.00 1.68 1.61 0.94 1.08 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 89 D 8.17 4.40 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 V 7.83 3.61 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 1.19 0.00 0.00 0.94 0.00 0.00 91 L 7.93 4.11 0.00 2.26 2.10 1.01 0.20 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 92 K 8.36 3.78 0.00 1.92 2.13 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.48 7.81 93 N 8.42 4.63 0.00 2.95 2.95 0.00 0.00 7.17 7.27 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 94 E 8.31 4.25 0.00 2.09 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 2.48 2.45 0.00 95 W 7.64 4.08 0.00 3.67 3.06 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 96 S 6.95 4.49 0.00 3.79 3.68 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 97 P 0.00 4.28 0.00 1.91 2.15 0.00 3.47 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.09 0.00 98 A 7.40 4.02 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 99 L 7.28 3.99 0.00 0.27 0.37 0.61 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.07 5.22 4.60 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 1.28 0.00 0.00 101 I 9.27 3.82 2.19 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.75 0.99 0.00 0.00 102 R 8.35 3.98 0.00 1.98 2.03 0.00 3.24 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 103 T 8.06 4.11 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 1.24 0.00 0.00 104 A 8.49 4.11 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 0.00 105 L 8.35 3.93 0.00 1.85 1.70 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.53 3.99 0.00 1.83 1.74 0.95 0.86 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 0.00 107 S 8.25 4.22 0.00 4.08 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 0.00 108 I 7.36 3.78 1.95 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 1.40 1.18 0.93 0.00 0.00 109 Q 8.34 3.92 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 110 A 8.00 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 0.00 111 L 7.73 4.04 0.00 1.92 1.64 0.88 0.39 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 0.00 112 L 7.38 3.78 0.00 1.80 1.70 0.31 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.87 4.55 0.00 4.11 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 7.62 4.78 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.43 0.00 1.25 1.32 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.14 0.00 116 Q 7.93 4.52 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.21 0.00 117 P 0.00 4.17 0.00 2.23 2.28 0.00 3.73 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 118 D 7.97 4.48 0.00 2.65 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 0.00 119 D 7.57 4.98 0.00 2.61 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 0.00 120 P 0.00 4.53 0.00 2.08 1.94 0.00 3.42 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.21 0.00 121 Q 8.94 4.26 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 122 D 7.54 4.70 0.00 2.63 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.46 3.94 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 0.00 124 E 8.11 3.94 0.00 2.04 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 2.42 2.39 0.00 125 V 7.64 3.12 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 0.30 0.00 0.00 -0.64 0.00 0.00 126 A 7.97 3.85 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 0.00 127 K 8.24 3.81 0.00 1.92 2.05 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.57 7.81 128 M 8.06 4.03 0.00 2.63 2.36 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.95 0.00 129 Y 7.98 3.85 0.00 2.64 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 0.00 130 K 7.94 4.01 0.00 1.86 1.83 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.55 7.81 131 E 8.72 4.35 0.00 2.12 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 2.36 2.36 0.00 132 N 8.28 4.85 0.00 2.70 2.69 0.00 0.00 6.80 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 H 8.58 4.29 0.00 3.14 3.16 0.00 5.73 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 0.00 134 A 8.00 4.10 1.34 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 0.00 0.00 0.00 135 L 7.83 3.94 0.00 1.91 1.94 0.89 0.73 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 0.00 136 F 8.11 4.20 0.00 3.40 3.29 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 0.00 137 V 7.91 3.38 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 1.04 0.00 0.00 1.02 0.00 0.00 138 K 7.55 3.90 0.00 1.91 1.77 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.59 7.81 139 T 8.32 3.53 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 -0.82 0.00 0.00 140 A 7.80 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.09 4.16 0.00 3.83 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 0.00 142 V 7.86 3.55 2.31 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 0.99 0.00 0.00 0.93 0.00 0.00 143 W 8.72 4.38 0.00 3.52 3.68 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 0.00 144 T 8.30 4.16 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 1.41 0.00 0.00 145 K 8.00 4.19 0.00 1.72 1.83 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.65 7.81 146 T 7.46 3.93 3.23 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 0.15 0.00 0.00 147 F 8.27 4.86 0.00 3.30 3.09 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 0.00 148 A 7.75 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.00 4.34 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 1.25 0.00 0.00 150 G 8.44 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.29 0.00 2.07 1.87 0.00 3.63 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.80 0.00