NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4504 8.1776 116.7937 58.6761 63.3556 174.1941 2 M 4.0278 8.4342 119.1785 55.6031 30.7111 176.7845 3 Q 4.1445 8.1780 121.3461 58.6942 30.2715 177.5903 4 D 4.9267 7.2704 114.2670 51.5407 40.8727 174.3188 5 P 4.3021 0.0000 0.0000 65.6659 31.8122 177.1132 6 I 3.6197 8.0055 118.0508 64.0271 36.8559 177.4258 7 A 3.9344 8.5799 121.2068 55.7455 18.3515 179.1402 8 D 4.4217 7.7777 117.4827 57.1634 41.3343 177.7340 9 M 3.8824 8.2892 118.8788 59.0141 32.1166 178.0363 10 L 3.9092 7.8358 118.7457 58.2701 41.9002 179.9211 11 T 3.9265 8.2691 109.8479 64.7773 68.7393 176.6217 12 R 3.8606 8.6762 121.2447 59.0300 30.1527 178.5849 13 I 3.6324 7.6920 119.2712 65.0397 37.2728 177.7604 14 R 3.8018 8.3069 119.0695 60.3000 29.6345 177.9296 15 N 4.6497 8.8979 116.0678 55.0486 38.7746 177.5852 16 G 3.7488 8.4651 108.6370 47.9653 0.0000 175.6032 17 Q 4.2378 8.9012 122.4577 58.0604 28.6230 178.9336 18 A 4.0268 8.1029 121.7907 54.4641 18.3973 177.9572 19 A 4.3493 7.8355 117.4916 51.4208 19.5379 178.0179 20 N 4.3420 9.4605 113.6492 53.1251 38.5090 173.9886 21 K 3.6653 7.6614 115.6023 57.5895 31.6964 175.8658 22 A 3.4526 7.9436 125.1222 55.1862 18.8371 177.3571 23 A 4.9462 7.6191 117.2452 49.6995 23.0182 174.7800 24 V 4.6883 8.5551 118.0787 60.8534 35.4828 173.7677 25 T 5.2976 8.0996 114.5422 61.0767 71.1412 171.5194 26 M 4.6264 8.5578 120.9124 54.0407 35.0272 171.6648 27 P 4.7977 0.0000 0.0000 62.2783 32.5461 176.1981 28 S 4.4923 8.9142 118.0870 58.0141 63.4623 173.1867 29 S 4.6530 8.6334 113.9918 57.6710 63.5625 176.4375 30 K 3.9067 7.1072 120.4380 57.2589 31.1017 176.8379 31 L 3.6520 8.1929 128.4839 57.9883 42.5014 178.7710 32 K 4.1671 7.9660 118.2522 58.6841 32.4027 178.3305 33 V 3.6805 7.5379 117.8328 65.3366 31.4549 177.3356 34 A 4.3687 8.5383 116.5317 52.9601 18.1076 177.7736 35 I 4.1615 7.2654 119.6019 63.4305 39.1194 177.4551 36 A 3.7981 7.2407 120.4755 55.0770 17.7330 179.1534 37 N 3.9596 7.3434 114.4397 56.8627 39.3938 176.9057 38 V 3.7244 7.5579 119.0127 66.0845 31.5555 177.7975 39 L 4.1651 8.3177 118.9002 57.3331 41.2632 179.2831 40 K 4.0383 8.2621 120.2121 59.0273 31.8528 178.8388 41 E 3.9908 7.8733 118.5183 59.2523 29.4907 178.2833 42 E 4.3365 8.0848 116.1656 55.1972 31.2328 176.4747 43 G 3.9547 7.2992 103.3559 46.2632 0.0000 173.8274 44 F 4.6226 8.5743 115.8668 57.6072 40.9359 177.1963 45 I 4.6485 7.4132 111.9336 58.4626 40.0093 175.1376 46 E 4.0977 8.7066 123.9978 58.7215 30.1670 176.4063 47 D 4.6357 7.4521 115.0453 55.2175 43.0513 174.2002 48 F 4.9915 8.0979 110.0744 56.6874 40.3337 173.6443 49 K 4.3256 8.6332 122.6074 54.7068 35.1285 175.7158 50 V 4.3116 8.5711 128.6901 61.1331 31.4971 174.5277 51 E 4.6418 8.6860 126.6113 54.0524 31.9678 175.8510 52 G 4.0800 7.9943 111.0314 47.2027 0.0000 170.9339 53 D 4.7538 8.5659 117.0690 55.8814 44.8644 176.2095 54 T 4.1132 8.0020 112.2700 64.3652 68.0012 175.4045 55 K 4.4979 7.4985 119.4178 52.6303 32.1478 172.1309 56 P 4.0205 0.0000 0.0000 63.1346 32.1735 177.0615 57 E 4.1800 8.7649 128.6735 57.0097 31.9815 175.3416 58 L 4.2335 8.5349 118.4726 55.0269 45.5922 174.4282 59 E 5.0290 9.1754 128.8681 54.8757 32.2355 174.6093 60 L 5.1409 8.9260 123.5252 53.6665 46.6807 175.6501 61 T 4.7981 8.2720 119.3059 60.9930 69.3059 173.7442 62 L 4.2160 8.4877 125.7360 55.0621 43.1750 176.2544 63 K 4.6799 8.2940 118.7716 54.9425 34.6573 175.2128 64 Y 5.1351 8.8020 121.9208 56.0428 41.4546 173.3774 65 F 5.0832 9.4401 123.2845 59.3156 41.9430 176.4502 66 Q 3.6667 8.4155 119.6313 55.3879 27.7912 177.8307 67 G 3.9801 7.8531 103.5493 45.6683 0.0000 172.3778 68 K 4.6675 7.6342 120.1576 53.8204 35.2474 175.3536 69 A 4.3227 8.6922 127.0321 52.2320 18.8540 177.9969 70 V 3.9396 8.4963 118.9678 63.3600 32.0636 177.4853 71 V 4.0720 7.3334 121.0305 60.4236 29.1130 174.6082 72 E 3.7249 7.8507 120.0095 58.9209 30.4764 177.3276 73 S 4.9022 7.2347 112.1093 57.1781 67.8738 172.5677 74 I 4.6178 7.6643 118.0887 61.6444 40.3584 173.2157 75 Q 4.8874 8.3600 128.9738 54.6464 32.8668 173.6162 76 R 4.3683 8.3386 118.4423 56.6673 32.8351 173.9277 77 V 3.8675 8.7498 122.9652 63.7711 33.5626 176.6941 78 S 4.4186 8.3030 119.5775 58.6905 60.6563 173.7655 79 R 4.4373 8.2605 121.9863 53.4349 31.2399 176.7411 80 P 4.1820 0.0000 0.0000 65.6277 31.2975 177.9969 81 G 3.8385 7.8993 103.9100 46.2319 0.0000 174.0751 82 L 4.4373 7.5739 119.5970 54.5167 43.9232 172.8440 83 R 4.3224 8.1450 121.5907 55.3724 30.8413 175.9740 84 I 4.5585 8.1131 122.6427 59.6553 40.0276 174.2240 85 Y 5.0235 8.6119 123.2585 56.1994 41.5981 175.1772 86 K 5.3774 9.1790 122.0667 53.8750 36.9688 176.7800 87 R 4.4354 9.0371 123.9898 55.7028 30.6360 177.4202 88 K 4.3392 8.4965 116.9616 59.2459 32.3617 177.7897 89 D 4.5392 8.0387 118.8637 56.5113 41.5591 177.4821 90 E 4.3255 8.1338 116.1152 56.4246 29.3337 176.1058 91 L 4.1385 7.4229 120.6916 54.0896 41.6551 175.2632 92 P 4.2486 0.0000 0.0000 62.1823 31.5763 175.8440 93 K 4.2580 8.3117 122.4131 54.5020 32.8195 175.7520 94 V 3.4502 7.9231 124.4855 64.1743 32.0056 175.7119 95 M 3.5321 9.1434 123.5372 55.3624 29.7867 177.0099 96 A 3.5291 8.5776 118.7326 52.3005 15.9782 177.9597 97 G 3.6983 7.7394 107.4710 44.6522 0.0000 170.0219 98 L 3.5568 8.2089 117.4735 55.8325 40.7631 175.2543 99 G 3.9074 8.3807 107.0802 46.7677 0.0000 173.5422 100 I 4.5401 8.5156 118.5904 59.7575 40.9668 174.6129 101 A 4.7077 7.8255 123.0845 51.1963 21.5531 175.9845 102 V 4.2040 8.4965 116.2996 61.9231 33.3034 176.1750 103 V 4.7274 8.4161 116.9626 59.6546 36.0214 173.8724 104 S 4.9797 8.8073 115.4499 57.1636 64.8117 173.2136 105 T 5.1371 8.4344 115.4208 59.8873 71.6871 174.0086 106 S 4.1756 9.1043 117.2685 61.6170 62.0215 175.5094 107 K 3.4313 7.3216 118.9074 58.0949 32.4940 178.2041 108 G 3.8659 7.9010 105.3379 45.4768 0.0000 171.7213 109 V 4.6204 8.5732 120.1755 61.1859 31.6466 174.7710 110 M 4.6487 7.8290 127.9481 54.6946 34.5687 174.0559 111 T 4.2534 8.5823 114.1645 63.9428 69.6624 175.4249 112 D 4.2747 8.4103 124.3636 57.4604 41.2402 178.6663 113 R 3.8425 8.0747 118.4711 59.7491 29.7796 178.2056 114 A 4.1900 7.8472 118.0609 55.2452 18.6090 178.7341 115 A 4.0403 8.5588 120.3874 54.6663 18.4869 179.7792 116 R 3.7698 8.9507 115.7406 59.3546 30.1093 178.6312 117 Q 3.9988 7.7839 118.1585 58.8434 28.9808 178.3541 118 A 4.7238 7.9957 118.5872 50.4671 21.2043 177.0104 119 G 3.9524 7.7069 106.9276 47.9694 0.0000 173.4722 120 L 4.7315 7.4722 118.5175 52.9629 44.7778 176.5484 121 G 4.2596 8.1616 111.3843 44.2144 0.0000 173.7858 122 G 4.6332 7.7136 105.2885 46.8373 0.0000 170.9553 123 E 5.0377 8.2844 122.1187 53.3078 31.7921 177.2899 124 I 4.1586 8.3484 127.6108 62.6675 37.9141 175.0131 125 I 4.7609 8.3986 121.1549 62.2665 41.5391 174.8172 126 C 5.0109 8.0079 114.6499 57.8186 33.1473 172.2069 127 Y 4.8575 8.2104 118.7031 56.3661 36.9424 173.9031 128 V 3.7493 8.0744 118.2325 63.0077 31.6059 175.7053 129 A 4.4643 8.3766 128.6477 51.7696 18.6135 176.5228 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 8.18 4.45 0.00 3.90 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 8.43 4.03 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 3 Q 8.18 4.14 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.24 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 4 D 7.27 4.93 0.00 2.60 2.49 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 5 P 0.00 4.30 0.00 2.19 2.07 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.36 0.00 6 I 8.01 3.62 2.00 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 1.55 0.96 0.87 0.00 0.00 7 A 8.58 3.93 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 8 D 7.78 4.42 0.00 2.73 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 9 M 8.29 3.88 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 10 L 7.84 3.91 0.00 1.82 1.66 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.27 3.93 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 1.23 0.00 0.00 12 R 8.68 3.86 0.00 1.99 2.01 0.00 3.16 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 13 I 7.69 3.63 1.99 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 1.38 0.55 0.85 0.00 0.00 14 R 8.31 3.80 0.00 1.94 2.07 0.00 3.07 0.00 0.00 3.15 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 15 N 8.90 4.65 0.00 2.75 2.87 0.00 0.00 7.16 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.47 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 17 Q 8.90 4.24 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.54 2.30 0.00 18 A 8.10 4.03 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 19 A 7.84 4.35 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.46 4.34 0.00 2.85 2.87 0.00 0.00 7.12 6.56 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 21 K 7.66 3.67 0.00 1.86 1.83 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.59 7.81 22 A 7.94 3.45 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 23 A 7.62 4.95 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 24 V 8.56 4.69 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 0.68 0.00 0.00 0.95 0.00 0.00 25 T 8.10 5.30 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 1.23 0.00 0.00 26 M 8.56 4.63 0.00 2.09 2.13 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 2.43 2.56 0.00 27 P 0.00 4.80 0.00 2.10 2.09 0.00 3.77 0.00 0.00 3.59 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 8.91 4.49 0.00 4.13 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 29 S 8.63 4.65 0.00 3.96 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 30 K 7.11 3.91 0.00 1.95 1.79 0.00 1.73 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.52 7.81 31 L 8.19 3.65 0.00 1.58 1.73 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.97 4.17 0.00 1.84 1.77 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 33 V 7.54 3.68 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 1.23 0.00 0.00 1.03 0.00 0.00 34 A 8.54 4.37 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 35 I 7.27 4.16 1.95 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 1.53 0.75 0.84 0.00 0.00 36 A 7.24 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.34 3.96 0.00 2.84 2.84 0.00 0.00 7.18 7.23 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 38 V 7.56 3.72 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 1.02 0.00 0.00 1.01 0.00 0.00 39 L 8.32 4.17 0.00 1.77 1.72 0.81 0.91 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 40 K 8.26 4.04 0.00 1.99 2.08 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.85 7.81 41 E 7.87 3.99 0.00 2.22 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 2.66 2.48 0.00 42 E 8.08 4.34 0.00 2.00 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 2.22 2.32 0.00 43 G 7.30 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 0.00 0.00 0.00 44 F 8.57 4.62 0.00 3.22 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 45 I 7.41 4.65 2.11 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 1.45 0.73 0.93 0.00 0.00 46 E 8.71 4.10 0.00 2.07 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 2.37 2.33 0.00 47 D 7.45 4.64 0.00 2.86 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 48 F 8.10 4.99 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 49 K 8.63 4.33 0.00 1.80 1.82 0.00 1.42 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.38 7.81 50 V 8.57 4.31 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 0.79 0.00 0.00 1.04 0.00 0.00 51 E 8.69 4.64 0.00 1.93 1.89 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 2.30 2.28 0.00 52 G 7.99 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.57 4.75 0.00 2.59 2.59 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 54 T 8.00 4.11 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 7.50 4.50 0.00 1.72 1.71 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.44 7.81 56 P 0.00 4.02 0.00 2.12 2.28 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 2.10 2.02 0.00 57 E 8.76 4.18 0.00 2.02 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 2.34 2.56 0.00 58 L 8.53 4.23 0.00 1.82 1.64 0.95 1.17 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 59 E 9.18 5.03 0.00 2.08 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 2.28 2.30 0.00 60 L 8.93 5.14 0.00 1.66 1.52 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.27 4.80 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 1.29 0.00 0.00 62 L 8.49 4.22 0.00 1.62 1.49 0.88 0.96 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 63 K 8.29 4.68 0.00 1.80 1.69 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.47 7.81 64 Y 8.80 5.14 0.00 3.06 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 65 F 9.44 5.08 0.00 2.81 2.85 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 66 Q 8.42 3.67 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.75 0.00 0.00 0.00 0.00 0.00 1.45 2.20 0.00 67 G 7.85 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.63 4.67 0.00 1.80 1.66 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.46 7.81 69 A 8.69 4.32 1.07 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 70 V 8.50 3.94 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 0.81 0.00 0.00 0.93 0.00 0.00 71 V 7.33 4.07 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 0.60 0.00 0.00 0.89 0.00 0.00 72 E 7.85 3.72 0.00 2.27 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 2.39 2.38 0.00 73 S 7.23 4.90 0.00 3.74 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 74 I 7.66 4.62 1.67 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 1.28 1.13 0.82 0.00 0.00 75 Q 8.36 4.89 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 76 R 8.34 4.37 0.00 1.70 1.66 0.00 3.28 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 77 V 8.75 3.87 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 0.66 0.00 0.00 0.61 0.00 0.00 78 S 8.30 4.42 0.00 3.75 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 79 R 8.26 4.44 0.00 2.03 1.98 0.00 2.80 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 80 P 0.00 4.18 0.00 2.05 2.16 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 81 G 7.90 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 82 L 7.57 4.44 0.00 1.61 1.46 0.89 0.78 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 83 R 8.15 4.32 0.00 1.97 1.74 0.00 3.53 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 84 I 8.11 4.56 1.75 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 1.12 1.44 0.89 0.00 0.00 85 Y 8.61 5.02 0.00 2.79 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 9.18 5.38 0.00 1.66 1.73 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.28 7.81 87 R 9.04 4.44 0.00 1.89 1.91 0.00 3.16 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 88 K 8.50 4.34 0.00 1.86 1.91 0.00 1.17 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 89 D 8.04 4.54 0.00 2.81 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 90 E 8.13 4.33 0.00 2.10 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 2.34 2.29 0.00 91 L 7.42 4.14 0.00 1.60 2.03 1.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.25 0.00 1.95 2.12 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 93 K 8.31 4.26 0.00 1.85 1.95 0.00 1.50 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.31 7.81 94 V 7.92 3.45 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 0.95 0.00 0.00 0.43 0.00 0.00 95 M 9.14 3.53 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 96 A 8.58 3.53 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 7.74 3.70 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 0.00 0.00 0.00 98 L 8.21 3.56 0.00 1.77 1.57 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.38 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 0.00 0.00 0.00 100 I 8.52 4.54 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.92 1.00 0.00 0.00 101 A 7.83 4.71 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.20 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 0.79 0.00 0.00 0.91 0.00 0.00 103 V 8.42 4.73 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 0.73 0.00 0.00 0.94 0.00 0.00 104 S 8.81 4.98 0.00 3.87 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 0.00 105 T 8.43 5.14 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 9.10 4.18 0.00 4.00 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 0.00 107 K 7.32 3.43 0.00 1.74 1.79 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.49 7.81 108 G 7.90 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 V 8.57 4.62 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 1.06 0.00 0.00 0.94 0.00 0.00 110 M 7.83 4.65 0.00 2.12 2.11 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 2.55 2.63 0.00 111 T 8.58 4.25 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 1.24 0.00 0.00 112 D 8.41 4.27 0.00 2.93 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 0.00 113 R 8.07 3.84 0.00 1.86 1.91 0.00 3.39 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 114 A 7.85 4.19 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.56 4.04 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 0.00 116 R 8.95 3.77 0.00 1.92 2.03 0.00 3.15 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.03 0.00 117 Q 7.78 4.00 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.33 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 118 A 8.00 4.72 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 0.00 119 G 7.71 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 0.00 0.00 0.00 120 L 7.47 4.73 0.00 1.70 1.56 0.93 0.92 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 0.00 121 G 8.16 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 0.00 0.00 0.00 122 G 7.71 4.63 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 0.00 123 E 8.28 5.04 0.00 2.03 1.80 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 2.01 1.54 0.00 124 I 8.35 4.16 1.84 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 1.31 0.95 1.08 0.00 0.00 125 I 8.40 4.76 2.12 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 1.37 0.86 0.89 0.00 0.00 126 C 8.01 5.01 0.00 3.14 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 0.00 127 Y 8.21 4.86 0.00 2.82 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 0.00 128 V 8.07 3.75 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 -0.30 0.00 0.00 0.82 0.00 0.00 129 A 8.38 4.46 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