NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 T 4.3466 8.1631 110.9400 62.3135 70.4913 174.1121 15 G 3.6099 9.1656 109.1254 43.2954 0.0000 171.2693 16 F 4.2388 8.8760 122.6211 58.6092 40.2604 173.9711 17 D 4.4693 7.9652 128.3661 52.4867 39.7783 176.6282 18 L 4.0477 8.1390 127.9075 57.1882 41.9795 179.9613 19 S 4.1872 8.0522 112.9486 60.2243 63.2122 175.0573 20 T 4.4056 7.2315 108.5367 60.9636 68.7522 173.6713 21 A 4.3919 7.3792 123.3320 52.4611 19.5575 177.7044 22 T 4.5288 8.8821 118.5357 62.1844 70.7867 173.9006 23 T 4.6967 8.5834 123.6687 63.1022 68.9598 174.7171 24 L 4.5999 8.9466 126.1958 55.5048 43.5050 176.7783 25 F 4.6046 8.0321 118.7691 57.2374 42.8279 173.0219 26 W 5.9535 8.5436 135.0000 57.1959 31.9021 172.8810 27 R 4.4194 7.9275 121.1174 54.2519 32.0077 172.3183 28 P 5.1795 0.0000 0.0000 62.7291 32.4267 176.3160 29 V 4.5214 9.1630 121.6051 60.5204 35.2720 172.7312 30 P 4.8985 0.0000 0.0000 62.5907 31.8797 175.8833 31 V 4.6902 9.1834 124.6602 61.3979 35.4589 174.1701 32 H 4.9643 9.4780 125.4746 55.0202 29.7511 174.2301 33 V 4.7381 8.9568 125.3872 61.4617 33.1310 174.7331 34 K 5.0149 9.4339 127.4427 54.7566 34.9243 175.2672 35 Q 4.7500 8.4660 122.0658 53.9407 32.6975 175.9222 36 Q 4.0165 9.1377 123.6485 58.7155 29.2004 176.7669 37 D 5.0417 7.5806 117.0695 52.9921 41.6792 175.2474 38 R 4.5112 7.2593 112.6895 55.2865 32.5279 174.1294 39 E 4.2142 8.4841 117.9639 55.8999 30.1141 176.8666 40 D 4.7667 8.5194 121.0715 55.1045 41.8817 176.1476 41 V 4.4205 8.5178 120.6329 61.0260 35.1484 173.9635 42 L 4.9508 8.5454 129.3460 53.8368 42.9915 175.1697 43 E 4.7277 8.9789 125.7861 54.3373 33.8683 175.5229 44 E 4.7420 8.8539 122.5572 56.3955 29.6638 176.1626 45 L 4.7028 8.8689 125.3165 53.6312 44.5042 176.0168 46 T 4.8948 8.8280 118.8551 62.7838 70.4931 173.8600 47 F 5.1801 9.4349 124.7308 55.6472 42.4513 174.3468 48 R 5.2582 9.3212 123.2878 54.6055 33.4483 173.7941 49 I 5.0066 9.0831 126.8495 59.5615 40.3076 174.5370 50 L 5.4305 9.1470 127.0194 53.0593 45.8199 175.6979 51 T 5.0346 8.4326 112.3085 60.4640 71.9058 174.0081 52 G 3.8418 8.2356 108.0366 46.8420 0.0000 172.1088 53 V 5.1781 7.4354 113.1073 59.3438 37.0185 174.6505 54 A 4.5591 8.4318 123.2177 51.9263 18.9410 178.7340 55 K 3.8750 9.4439 123.3370 59.9098 32.0230 178.8403 56 Q 3.9902 8.3102 116.1392 58.4194 28.7871 175.6233 57 N 4.7681 7.7250 118.9000 51.2019 39.6345 174.0521 58 H 4.3682 8.7963 121.3461 57.3617 28.8081 176.0757 59 N 4.5796 8.0817 115.9423 53.1403 39.4280 174.6609 60 L 4.3711 8.0730 122.5518 53.8129 42.8236 175.8036 61 R 4.7834 8.3734 126.1619 56.1626 31.8448 175.9049 62 I 5.2843 8.9844 122.5359 59.6818 42.0736 173.7346 63 L 5.0730 9.3427 128.4276 53.2993 44.4478 174.8194 64 R 4.7734 9.0967 126.6101 54.4040 32.8975 174.1280 65 I 5.0352 8.8363 126.6766 59.7043 40.9011 173.8491 66 H 5.2904 9.4168 126.4764 54.3766 33.0393 171.8877 67 I 4.5442 8.6829 126.7116 59.4960 39.7181 175.0117 68 S 5.5583 8.8523 120.2506 56.7132 67.5792 172.2648 69 S 4.8898 8.5109 112.8698 56.6019 64.6909 174.7848 70 D 4.5154 9.1698 126.8423 56.6060 40.8741 177.2173 71 S 4.4770 7.7418 111.6251 58.2756 64.2621 173.6027 72 D 4.7249 7.5906 119.3713 52.0497 41.5788 175.6113 73 L 4.1740 8.6036 125.2542 56.1384 41.7063 177.9688 74 F 4.5621 8.5557 116.3297 56.8579 39.9568 175.3077 75 F 4.4399 8.4789 125.1130 57.8398 39.6683 173.9663 76 L 5.0056 7.6528 125.5418 53.3406 46.1511 175.2597 77 H 5.3645 8.9601 119.7970 54.6305 33.5561 172.6320 78 T 5.2108 9.3520 118.4378 61.8586 73.3000 172.6376 79 L 4.6493 8.7551 126.7853 53.1104 45.3488 174.8134 80 E 4.9699 8.6766 124.6242 54.4454 32.8518 175.2989 81 V 4.4791 9.1377 124.7636 60.8545 34.1867 175.3718 82 S 4.7935 8.7966 123.3564 57.6792 63.7229 175.0853 83 E 2.7104 8.2450 122.4145 58.7443 29.3611 178.6855 84 E 4.0164 7.9131 119.0803 59.4466 29.9624 178.4428 85 D 4.5167 8.2921 118.7650 57.0023 40.6919 178.5145 86 F 4.2943 8.0369 121.1208 60.7603 38.8351 176.7128 87 Q 3.7664 7.6528 118.2898 59.4351 28.8170 178.7294 88 S 4.0390 7.8446 113.3290 61.0902 62.5548 175.6008 89 L 3.8967 7.6428 122.7233 57.8202 41.7047 178.8275 90 K 3.4782 7.6532 119.9749 59.2903 31.8442 178.6526 91 N 4.2275 7.6135 116.1048 56.2855 38.2932 176.8664 92 D 4.3267 7.8915 118.2448 56.7677 41.3398 177.3983 93 Q 4.5431 7.8403 115.2861 54.6320 29.1922 175.8919 94 G 3.9112 7.5035 107.8164 46.3407 0.0000 174.2914 95 I 3.9683 7.8434 120.3817 61.0182 37.4644 176.2201 96 L 4.6181 8.5120 122.0745 54.5422 42.7782 176.5140 97 V 4.4021 7.5675 111.9159 59.4497 34.1037 175.2728 98 D 4.9399 8.2378 121.6471 52.4077 41.7334 176.8899 99 F 2.9424 8.7086 120.7137 61.3397 39.1677 176.4727 100 A 3.9968 7.9702 118.4291 55.0034 18.1627 179.0341 101 S 4.3113 8.5793 112.6941 59.9276 63.1684 176.2285 102 F 4.5303 7.6386 124.3658 61.0581 39.0873 175.2912 103 P 3.9357 0.0000 0.0000 65.6386 31.0385 178.3728 104 G 3.6256 7.9866 104.9795 47.5893 0.0000 175.6560 105 K 4.0374 7.7874 120.1322 59.2302 32.0075 179.4685 106 I 3.6430 7.4554 119.9569 64.4661 36.8760 178.5916 107 I 3.3029 7.6589 120.5640 64.2228 36.8017 178.6095 108 S 4.0650 7.9599 116.0871 61.5272 62.4863 176.8296 109 L 3.8293 7.7511 121.3997 57.6766 41.2909 179.4497 110 L 3.8964 7.9619 119.1006 57.8411 41.4594 179.2765 111 E 3.9670 8.4107 118.7850 59.5358 29.4002 179.6213 112 K 3.7933 7.6010 117.9746 59.5815 31.7530 179.2274 113 C 4.2319 7.5207 116.1879 62.8032 28.1316 175.7390 114 I 3.8611 7.7931 120.6127 64.2989 36.8704 177.8326 115 L 4.2723 7.8918 116.4697 54.3194 42.2262 177.2235 116 A 4.3166 7.1413 122.1557 52.5792 19.0571 176.8651 117 Q 4.7875 9.5008 120.3939 53.1293 32.0728 174.9968 118 P 4.1751 0.0000 0.0000 65.8402 31.3727 177.6270 119 G 3.9486 7.9075 103.2636 45.4189 0.0000 173.4624 120 D 4.4536 7.9051 120.0638 54.6640 41.2856 176.7566 121 S 4.2629 8.1286 116.5159 56.7759 63.4124 172.1889 122 P 4.7056 0.0000 0.0000 62.5625 32.7890 175.2951 123 R 4.6811 8.6544 120.2584 54.5746 32.4029 174.3603 124 F 5.0710 9.0972 125.3228 56.7598 40.3999 175.1222 125 Q 4.7316 8.9917 119.4901 54.6630 32.5705 173.2505 126 A 4.9325 8.6255 122.5517 50.6672 21.3712 176.0814 127 V 4.8785 8.6079 121.8967 60.8874 35.4571 173.9109 128 L 5.2015 9.3346 129.4062 53.6727 44.9788 174.8723 129 T 5.0582 9.0835 123.7704 62.0523 70.7756 173.2588 130 I 4.5647 8.5937 128.4094 59.8616 38.6997 176.6951 131 R 4.4888 8.8418 125.9830 54.8691 32.5629 177.0858 132 G 3.9741 8.2693 116.6201 46.8526 0.0000 172.2910 133 G 4.0706 8.8660 110.3252 44.6402 0.0000 172.1422 134 E 4.9307 7.6406 118.0215 55.2066 33.6727 173.8823 135 S 5.1858 9.0991 117.1213 56.8120 67.4219 172.7520 136 V 4.8754 8.8498 120.7309 61.2423 34.0965 173.8071 137 F 5.4300 9.5675 131.2914 56.6540 41.2878 174.5451 138 K 4.8969 8.2458 123.9156 55.2781 36.7721 174.8312 139 I 4.7735 8.2610 121.9913 59.7136 39.8919 175.3144 140 V 4.8232 8.8010 119.9296 59.4082 35.7331 173.9828 141 E 4.4325 8.6747 122.6747 54.2753 32.3434 174.5805 142 I 4.7491 8.5578 128.0032 59.8275 38.2744 174.3383 143 N 5.6270 8.8305 126.8669 50.7478 40.1552 174.8253 144 D 4.5163 8.9837 116.9993 56.0368 39.7116 176.8955 145 F 4.8673 9.0371 121.6936 59.3398 40.3374 175.0316 146 K 4.1249 7.5457 114.9880 56.1366 35.2522 172.9971 147 Q 5.0697 8.2505 120.6063 54.4236 30.4604 174.5204 148 L 4.8792 8.6130 125.9665 53.2371 44.1516 173.6977 149 P 4.6377 0.0000 0.0000 63.3486 31.6662 175.7001 150 H 4.6229 9.4368 121.0189 57.6601 30.0631 175.7379 151 I 4.9343 7.5769 116.8894 59.7074 41.6998 173.9955 152 T 5.2346 9.2622 124.8915 61.9122 71.7698 173.4326 153 L 5.0599 9.7810 125.3444 53.0165 46.4961 175.1470 154 A 5.2045 8.7971 124.4210 50.8345 20.3233 176.3579 155 F 4.9058 9.4884 121.7281 55.9102 42.3638 175.1734 156 R 5.0348 8.7267 120.2959 53.7814 33.1650 174.0754 157 P 4.5434 0.0000 0.0000 63.7867 32.3229 177.0122 158 G 3.7731 8.3594 108.6585 44.5592 0.0000 173.5710 159 N 4.4345 8.3567 115.2525 53.4696 38.7153 175.2645 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 14 T 8.16 4.35 4.32 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 1.21 0.00 0.00 15 G 9.17 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.88 4.24 0.00 3.12 2.99 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 17 D 7.97 4.47 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 18 L 8.14 4.05 0.00 1.73 1.70 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.05 4.19 0.00 3.97 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 20 T 7.23 4.41 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 1.18 0.00 0.00 21 A 7.38 4.39 1.26 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 22 T 8.88 4.53 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 23 T 8.58 4.70 4.33 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 1.34 0.00 0.00 24 L 8.95 4.60 0.00 1.53 1.76 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.03 4.60 0.00 3.00 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 26 W 8.54 5.95 0.00 3.30 2.91 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 27 R 7.93 4.42 0.00 1.67 1.68 0.00 2.72 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 28 P 0.00 5.18 0.00 1.97 2.05 0.00 3.55 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 29 V 9.16 4.52 1.76 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 0.81 0.00 0.00 0.87 0.00 0.00 30 P 0.00 4.90 0.00 1.99 1.99 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 31 V 9.18 4.69 2.23 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 1.28 0.00 0.00 1.33 0.00 0.00 32 H 9.48 4.96 0.00 3.10 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.96 4.74 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 34 K 9.43 5.01 0.00 1.68 1.67 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.71 1.41 7.81 35 Q 8.47 4.75 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 36 Q 9.14 4.02 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.52 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 37 D 7.58 5.04 0.00 2.68 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 38 R 7.26 4.51 0.00 1.89 1.88 0.00 3.11 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 39 E 8.48 4.21 0.00 1.99 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 2.32 2.34 0.00 40 D 8.52 4.77 0.00 2.56 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.52 4.42 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 0.89 0.00 0.00 0.97 0.00 0.00 42 L 8.55 4.95 0.00 1.59 1.52 0.70 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.98 4.73 0.00 1.83 1.68 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 2.15 2.16 0.00 44 E 8.85 4.74 0.00 1.85 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 2.28 0.00 45 L 8.87 4.70 0.00 1.92 1.67 1.11 0.24 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 46 T 8.83 4.89 4.37 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 1.51 0.00 0.00 47 F 9.43 5.18 0.00 3.30 3.15 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 48 R 9.32 5.26 0.00 1.39 1.49 0.00 2.21 0.00 0.00 2.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.18 0.00 49 I 9.08 5.01 1.93 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 0.81 0.00 0.00 50 L 9.15 5.43 0.00 1.61 1.65 0.79 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.43 5.03 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 1.14 0.00 0.00 52 G 8.24 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 53 V 7.44 5.18 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 0.79 0.00 0.00 0.73 0.00 0.00 54 A 8.43 4.56 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 55 K 9.44 3.88 0.00 1.58 1.90 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.43 1.55 7.81 56 Q 8.31 3.99 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 57 N 7.73 4.77 0.00 2.89 2.70 0.00 0.00 7.26 7.77 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 58 H 8.80 4.37 0.00 3.12 3.31 0.00 5.93 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.08 4.58 0.00 2.88 2.85 0.00 0.00 6.83 7.14 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 60 L 8.07 4.37 0.00 1.75 1.68 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.37 4.78 0.00 1.78 2.15 0.00 3.16 0.00 0.00 3.59 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.70 0.00 62 I 8.98 5.28 2.28 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 1.23 1.07 1.06 0.00 0.00 63 L 9.34 5.07 0.00 1.54 1.59 0.81 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 64 R 9.10 4.77 0.00 0.69 1.06 0.00 2.24 0.00 0.00 2.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.14 0.00 65 I 8.84 5.04 1.85 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 1.04 0.59 1.06 0.00 0.00 66 H 9.42 5.29 0.00 3.02 2.98 0.00 5.73 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.68 4.54 1.46 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.13 0.50 0.00 0.00 68 S 8.85 5.56 0.00 3.87 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 69 S 8.51 4.89 0.00 3.67 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 70 D 9.17 4.52 0.00 2.70 2.71 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 71 S 7.74 4.48 0.00 3.99 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 72 D 7.59 4.72 0.00 2.80 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 73 L 8.60 4.17 0.00 1.55 1.43 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.56 4.56 0.00 3.05 3.07 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 75 F 8.48 4.44 0.00 3.31 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.65 5.01 0.00 1.47 1.58 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.96 5.36 0.00 2.79 3.10 0.00 5.56 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 9.35 5.21 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 1.10 0.00 0.00 79 L 8.76 4.65 0.00 0.27 0.28 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.68 4.97 0.00 1.75 1.73 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 1.83 2.05 0.00 81 V 9.14 4.48 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 1.45 0.00 0.00 1.05 0.00 0.00 82 S 8.80 4.79 0.00 3.97 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 83 E 8.24 2.71 0.00 1.16 1.63 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 2.02 1.47 0.00 84 E 7.91 4.02 0.00 2.02 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 2.35 2.36 0.00 85 D 8.29 4.52 0.00 2.92 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 86 F 8.04 4.29 0.00 3.31 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 0.00 87 Q 7.65 3.77 0.00 2.34 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 88 S 7.84 4.04 0.00 3.88 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 89 L 7.64 3.90 0.00 1.80 1.63 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.65 3.48 0.00 0.79 1.44 0.00 1.34 0.00 0.00 1.46 0.00 0.00 3.11 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.26 1.10 7.81 91 N 7.61 4.23 0.00 2.70 2.78 0.00 0.00 6.65 7.96 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 92 D 7.89 4.33 0.00 2.68 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 93 Q 7.84 4.54 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.35 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 94 G 7.50 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 95 I 7.84 3.97 1.68 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 1.38 0.58 1.01 0.00 0.00 96 L 8.51 4.62 0.00 1.64 1.69 0.94 0.90 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 97 V 7.57 4.40 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 0.83 0.00 0.00 1.11 0.00 0.00 98 D 8.24 4.94 0.00 3.05 2.91 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 99 F 8.71 2.94 0.00 2.67 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 0.00 100 A 7.97 4.00 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 0.00 101 S 8.58 4.31 0.00 3.95 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 0.00 102 F 7.64 4.53 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 3.94 0.00 2.14 2.03 0.00 3.71 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 104 G 7.99 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 0.00 105 K 7.79 4.04 0.00 2.02 1.94 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.73 1.73 7.81 106 I 7.46 3.64 1.69 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.23 0.78 0.00 0.00 107 I 7.66 3.30 1.89 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 0.94 0.51 0.92 0.00 0.00 108 S 7.96 4.07 0.00 3.98 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 0.00 109 L 7.75 3.83 0.00 1.88 1.71 1.01 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.96 3.90 0.00 1.51 1.48 0.15 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.41 3.97 0.00 2.11 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 2.54 2.53 0.00 112 K 7.60 3.79 0.00 1.48 1.18 0.00 0.66 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.02 1.27 7.81 113 C 7.52 4.23 0.00 3.03 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 0.00 114 I 7.79 3.86 2.04 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 1.56 0.65 0.92 0.00 0.00 115 L 7.89 4.27 0.00 1.59 1.70 0.90 0.67 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 0.00 116 A 7.14 4.32 1.40 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 0.00 0.00 0.00 117 Q 9.50 4.79 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 118 P 0.00 4.18 0.00 2.04 2.15 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 119 G 7.91 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 D 7.91 4.45 0.00 2.77 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 0.00 121 S 8.13 4.26 0.00 3.79 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 0.00 122 P 0.00 4.71 0.00 1.92 2.00 0.00 3.83 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 2.12 2.01 0.00 123 R 8.65 4.68 0.00 2.05 1.75 0.00 3.09 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 124 F 9.10 5.07 0.00 2.90 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 0.00 125 Q 8.99 4.73 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 126 A 8.63 4.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.61 4.88 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 1.03 0.00 0.00 0.88 0.00 0.00 128 L 9.33 5.20 0.00 1.96 1.60 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 129 T 9.08 5.06 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 0.00 130 I 8.59 4.56 1.93 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 1.14 0.56 0.95 0.00 0.00 131 R 8.84 4.49 0.00 1.82 1.82 0.00 3.24 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 132 G 8.27 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 0.00 133 G 8.87 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 7.64 4.93 0.00 2.10 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.27 0.00 135 S 9.10 5.19 0.00 3.97 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 0.00 136 V 8.85 4.88 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 1.08 0.00 0.00 0.99 0.00 0.00 137 F 9.57 5.43 0.00 2.73 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.25 4.90 0.00 1.77 1.74 0.00 1.24 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.16 1.24 7.81 139 I 8.26 4.77 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.32 1.03 0.00 0.00 140 V 8.80 4.82 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 0.68 0.00 0.00 0.83 0.00 0.00 141 E 8.67 4.43 0.00 1.16 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 2.00 1.95 0.00 142 I 8.56 4.75 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 1.19 0.45 0.85 0.00 0.00 143 N 8.83 5.63 0.00 2.77 2.90 0.00 0.00 6.30 7.92 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 0.00 144 D 8.98 4.52 0.00 2.84 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 0.00 145 F 9.04 4.87 0.00 2.79 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 0.00 146 K 7.55 4.12 0.00 1.50 0.89 0.00 0.69 0.00 0.00 1.44 0.00 0.00 2.69 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.04 1.12 7.81 147 Q 8.25 5.07 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 148 L 8.61 4.88 0.00 1.62 1.59 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.64 0.00 2.08 2.06 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 150 H 9.44 4.62 0.00 3.23 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 7.58 4.93 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 1.02 0.00 0.00 152 T 9.26 5.23 4.29 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 1.26 0.00 0.00 153 L 9.78 5.06 0.00 2.12 1.76 1.26 1.27 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 0.00 154 A 8.80 5.20 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 0.00 155 F 9.49 4.91 0.00 2.96 2.97 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 0.00 156 R 8.73 5.03 0.00 1.72 1.81 0.00 3.11 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 157 P 0.00 4.54 0.00 1.91 1.91 0.00 3.65 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 2.02 2.09 0.00 158 G 8.36 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 0.00 0.00 0.00 159 N 8.36 4.43 0.00 2.68 2.64 0.00 0.00 6.63 7.56 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