NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4491 8.3049 118.1970 55.1231 32.5978 174.0767 2 I 4.2989 8.0585 119.9763 59.4975 38.6481 174.3177 3 I 4.3595 9.2712 127.7183 60.6078 38.9962 175.5399 4 E 4.8746 8.8101 121.4051 56.4496 31.8194 176.2639 5 R 4.8479 7.6016 114.6886 53.5241 33.4551 175.3416 6 L 4.1085 8.5645 120.6491 55.8967 42.0471 177.7971 7 V 4.1081 8.5705 125.2907 62.9088 32.6201 177.2835 8 G 3.8952 8.4291 107.7861 45.2623 0.0000 172.2502 9 N 5.4037 8.1489 118.0752 51.4979 42.2667 175.9349 10 L 3.9744 8.6567 125.3910 57.8191 42.0672 178.8248 11 R 4.0586 8.4586 115.0767 59.3188 29.2590 177.5389 12 D 4.6222 7.8196 120.9966 51.9676 37.2986 175.5310 13 L 3.8392 7.6752 124.5322 56.3584 42.4276 177.2974 14 N 4.5365 8.7891 117.1300 53.3178 34.6997 172.2953 15 P 4.5657 0.0000 0.0000 65.4403 32.5649 178.3589 16 L 3.7580 8.7764 113.5614 58.9381 38.3171 172.1491 17 D 4.8411 8.8914 130.1443 54.0624 41.0614 174.0034 18 F 5.1501 7.5887 114.0761 55.5458 43.7091 174.3905 19 S 4.6987 8.6714 115.2394 57.1999 64.6090 173.1091 20 V 4.6548 8.4378 125.1255 60.9962 33.1814 173.9490 21 D 4.7540 9.4928 129.6387 53.3516 42.6419 175.2029 22 H 5.1781 8.7211 122.8677 54.9425 31.3456 174.0014 23 V 4.4863 8.9261 121.1313 61.3199 33.6558 174.1228 24 D 5.1067 8.4830 127.7029 52.9059 42.0102 175.6131 25 L 4.7676 8.7778 124.1331 52.6337 45.1300 176.7666 26 E 4.2882 8.5384 121.9542 55.1438 30.1554 178.2562 27 W 4.2153 8.2443 117.7990 59.3392 28.3126 177.2943 28 F 4.1578 5.9554 111.5935 57.7536 37.6834 175.4458 29 E 4.4574 7.4342 121.1849 56.6918 29.9526 177.1436 30 T 4.3029 7.7013 108.8289 62.6209 69.0071 175.4524 31 R 4.5987 7.5784 119.4701 55.7576 31.4568 176.0695 32 K 4.2032 7.9964 118.1142 56.6145 33.0512 176.7648 33 K 4.3709 8.7024 121.4961 57.7058 34.0377 176.4787 34 I 5.5113 7.6720 119.4710 58.7184 39.6238 175.0252 35 A 4.3773 8.2177 126.6070 51.2240 22.5778 174.2866 36 R 4.9479 8.0027 118.8763 54.6816 32.7864 174.8917 37 F 5.1066 9.5179 122.5855 55.7490 44.0261 173.2453 38 K 5.0206 8.8068 122.7860 54.8751 33.6286 176.3673 39 T 4.2395 8.6071 118.8724 60.7735 70.0330 174.4091 40 R 3.9782 8.6120 121.3887 59.1890 30.5354 177.3682 41 Q 4.4590 8.2429 117.8607 55.2907 28.5507 177.8539 42 G 4.0947 8.1090 107.6949 46.1209 0.0000 174.1826 43 K 4.0244 7.5041 118.7627 57.0665 33.5261 175.5114 44 D 5.4815 8.4233 120.5527 52.6765 43.7433 175.6635 45 I 4.6427 8.9831 122.6713 59.4572 41.7990 173.3648 46 A 5.3406 8.7749 130.5133 50.1074 22.1737 175.0150 47 I 5.0840 8.5578 113.4917 59.2997 41.2812 174.8024 48 R 5.4345 8.8132 122.5029 54.0999 34.6304 173.8095 49 L 5.0748 8.6034 123.5545 52.8675 43.9159 176.0740 50 K 4.1955 8.2522 124.2666 55.9219 32.9869 177.1382 51 D 4.2533 8.7751 124.4291 54.8572 38.2614 174.4932 52 A 3.9869 8.0502 121.0210 51.5014 19.0370 176.2786 53 P 4.2011 0.0000 0.0000 63.3229 31.6129 176.7210 54 K 3.8303 9.0493 124.5925 59.6822 31.9441 177.2877 55 L 4.1380 7.7610 115.0280 54.8172 41.9602 175.9852 56 G 4.0496 7.9136 105.0119 43.4729 0.0000 173.8052 57 L 4.1625 8.7568 120.3374 54.8883 42.0473 177.4953 58 S 4.7998 10.6277 118.5970 56.1212 65.4601 173.0171 59 Q 4.0061 9.0395 123.2326 57.9251 28.6710 176.0760 60 G 3.8847 9.6288 114.6545 46.2700 0.0000 172.0233 61 D 4.7973 7.7636 120.2537 53.9677 42.0607 175.7879 62 I 4.3738 9.0056 125.5773 61.1143 37.4358 176.7025 63 L 4.2542 8.9524 128.8835 56.9581 42.6330 177.6130 64 F 4.8012 7.9329 119.3930 56.6530 43.2347 173.7051 65 K 4.7066 7.5318 126.7515 55.4534 34.4408 175.1274 66 E 4.3445 9.5510 130.4065 55.1015 31.9480 176.2925 67 E 3.9643 8.4887 130.4064 57.4796 27.1240 176.4329 68 K 4.8256 8.8416 129.6232 57.6949 33.2836 174.7957 69 E 4.7728 8.3201 123.1845 56.0402 30.4793 175.1427 70 I 5.1646 8.7337 127.7484 59.5439 41.4021 174.5544 71 I 5.6823 9.2954 126.3002 58.9669 39.7302 174.6792 72 A 5.2601 8.3364 127.1331 49.8800 23.5161 174.3268 73 V 4.2186 8.4382 119.2769 62.2764 33.0146 174.3023 74 N 5.1673 9.5048 126.9652 51.8336 41.6966 173.0241 75 I 4.8186 8.8086 127.1480 59.4261 38.3614 175.8568 76 L 4.1726 8.9481 128.4528 54.9693 41.9139 177.1769 77 D 4.9734 8.6237 121.3540 54.5854 42.7506 175.1151 78 S 4.6558 9.1744 114.6259 56.8304 67.6165 172.8719 79 E 4.3537 8.7460 119.6638 56.5376 30.4134 176.6502 80 V 4.6062 8.4482 123.3189 61.3838 35.4515 173.7372 81 I 4.5666 8.8327 129.5294 61.2486 38.5700 174.4077 82 H 5.1439 9.4228 125.4322 54.2909 30.7494 173.9191 83 I 4.9288 9.5524 125.6330 59.4939 39.9551 174.4857 84 Q 5.0157 9.3273 128.6536 54.2642 30.2670 174.3826 85 A 4.6851 9.5332 129.6985 51.2672 19.0470 177.5753 86 K 3.9633 10.1602 123.4765 59.0041 33.2520 177.7130 87 S 4.9383 7.7010 112.6260 55.3369 67.6345 174.7953 88 V 3.6345 8.6421 120.4507 65.8956 31.2905 177.5860 89 A 3.9964 8.1128 120.2617 55.3692 18.2693 179.1317 90 E 3.9576 8.0653 117.3910 59.2332 29.6851 178.6379 91 V 3.4811 8.2879 118.5556 66.1068 31.6017 177.4943 92 A 3.9883 7.9175 119.6163 55.3124 18.1752 179.6478 93 K 3.8641 7.9125 117.3722 59.7344 32.3262 178.7347 94 I 3.6240 7.7129 120.1011 65.0546 37.1291 178.1356 95 C 3.9729 8.4322 117.3147 62.7259 27.8709 175.6703 96 Y 3.9885 7.9246 120.9806 60.6043 38.4197 177.4917 97 E 3.7244 8.6920 120.5252 59.3179 29.5801 178.8053 98 I 3.6720 8.0490 120.1574 64.3977 37.2223 178.3452 99 G 3.7968 8.3538 106.8627 48.2555 0.0000 175.0640 100 N 4.0679 7.6441 118.0588 56.0659 39.0292 176.8407 101 R 3.8565 7.6882 119.1643 57.5890 30.0886 176.8640 102 H 4.1196 7.7333 113.3929 56.1128 26.6546 174.6912 103 A 4.2199 7.4217 122.3508 51.7944 18.8490 177.6535 104 A 4.5397 8.1752 122.1198 51.5447 20.2955 176.9234 105 L 4.8317 7.7614 120.8874 54.0556 45.8286 174.0858 106 Y 5.0383 9.3692 123.5657 55.9502 41.8072 174.6988 107 Y 4.2796 8.9590 121.4149 58.3104 38.6434 177.0926 108 G 3.8456 8.0593 115.0663 45.2934 0.0000 173.4935 109 E 3.9939 8.4068 114.7952 58.4465 29.8155 172.9780 110 S 4.6955 7.7464 113.6698 56.1486 64.3987 174.1450 111 Q 3.8920 8.6904 122.0597 58.2996 29.0127 176.4799 112 F 4.8428 8.2488 114.3188 56.9558 39.5414 173.7600 113 E 5.3238 7.4819 121.6570 54.9551 31.1300 175.1950 114 F 5.1298 9.2021 123.1778 56.0994 44.3294 173.4631 115 K 5.1073 9.6650 120.7256 55.0352 35.9083 175.2932 116 T 4.9317 8.8160 117.6883 59.4157 71.2003 171.2713 117 P 4.3746 0.0000 0.0000 62.9251 32.2912 175.5308 118 F 4.4586 8.5703 125.0040 58.1623 40.0255 174.7414 119 E 4.3073 7.8695 123.9155 53.2291 33.8537 176.4124 120 K 3.6967 8.2234 121.4920 59.4018 32.6244 177.6124 121 P 4.2267 0.0000 0.0000 66.0434 31.1276 178.5497 122 T 3.7669 7.6489 114.9693 65.9707 68.3495 176.1844 123 L 3.8529 7.7283 122.0561 58.2211 42.1164 178.3484 124 A 3.8897 8.3390 120.7981 55.6172 18.2406 178.8579 125 L 3.7544 8.1899 117.6777 58.9001 42.0818 179.3504 126 L 4.0191 8.1273 118.3643 57.8655 41.4044 179.7844 127 E 3.9416 8.2621 118.5053 59.1265 29.3043 178.7177 128 K 3.9792 7.8905 118.9773 59.7092 32.0975 177.5338 129 L 4.1248 7.9959 115.3929 54.9294 41.9296 176.8155 130 G 3.8863 8.6644 108.0077 46.4522 0.0000 174.0358 131 V 4.0959 7.9333 118.3126 61.8187 33.2911 175.3024 132 Q 4.5288 8.5949 127.9781 55.5734 30.1475 174.1407 133 N 6.0618 8.4672 122.1083 52.2326 40.7869 173.7117 134 R 4.7628 8.3455 117.1059 54.6170 34.9883 174.3357 135 V 4.5880 8.4422 122.7724 62.5578 32.7141 175.1844 136 L 4.7956 8.9851 126.8316 52.8350 46.5227 175.4859 137 S 4.6927 8.7240 118.0929 58.9565 63.0164 173.0282 138 S 4.7723 9.1916 121.9574 58.7460 66.4525 172.6465 139 K 4.6100 8.5661 121.2646 55.1003 33.6357 177.0832 140 L 4.1569 8.1933 127.4513 52.3167 41.5975 174.7812 141 D 4.5080 8.1075 123.0089 53.7691 42.0673 177.5276 142 S 4.3924 8.9612 122.4862 61.5939 63.0294 176.0611 143 K 4.2956 7.7038 116.5523 58.1639 32.6791 176.7682 144 E 4.7243 8.4844 120.9635 56.2699 30.6589 175.4393 145 R 3.6346 7.7806 119.3268 56.7584 31.0966 175.8493 146 L 3.9575 8.0469 126.0456 53.7731 41.6908 176.3534 147 T 3.1758 8.8442 112.5968 61.3795 69.0078 169.6210 148 V 3.2768 7.6888 130.7449 61.5229 32.8326 172.5376 149 S 4.4079 8.6323 121.7309 58.7154 62.9143 174.0507 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 M 8.30 4.45 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.64 0.00 2 I 8.06 4.30 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.23 0.93 0.00 0.00 3 I 9.27 4.36 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.96 1.07 0.00 0.00 4 E 8.81 4.87 0.00 1.96 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 2.30 2.20 0.00 5 R 7.60 4.85 0.00 1.74 1.79 0.00 3.23 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 6 L 8.56 4.11 0.00 1.63 1.72 0.93 0.90 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 7 V 8.57 4.11 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 0.69 0.00 0.00 0.92 0.00 0.00 8 G 8.43 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.15 5.40 0.00 2.66 2.58 0.00 0.00 7.60 6.54 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 10 L 8.66 3.97 0.00 1.66 1.73 0.95 1.09 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 11 R 8.46 4.06 0.00 1.90 2.23 0.00 3.07 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 12 D 7.82 4.62 0.00 2.75 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 13 L 7.68 3.84 0.00 1.68 1.54 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.79 4.54 0.00 3.08 2.95 0.00 0.00 6.96 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 15 P 0.00 4.57 0.00 2.18 2.16 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 16 L 8.78 3.76 0.00 1.96 2.39 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.89 4.84 0.00 2.83 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 18 F 7.59 5.15 0.00 2.88 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 19 S 8.67 4.70 0.00 3.92 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 20 V 8.44 4.65 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 0.53 0.00 0.00 0.96 0.00 0.00 21 D 9.49 4.75 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.72 5.18 0.00 3.16 3.14 0.00 5.83 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.93 4.49 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 0.38 0.00 0.00 0.86 0.00 0.00 24 D 8.48 5.11 0.00 2.51 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 25 L 8.78 4.77 0.00 1.36 1.34 0.80 0.25 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 26 E 8.54 4.29 0.00 1.16 1.12 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 2.18 2.09 0.00 27 W 8.24 4.22 0.00 3.53 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 5.96 4.16 0.00 2.73 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 0.00 0.00 0.00 29 E 7.43 4.46 0.00 2.00 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 2.30 1.64 0.00 30 T 7.70 4.30 4.52 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 1.31 0.00 0.00 31 R 7.58 4.60 0.00 1.78 1.99 0.00 3.23 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 32 K 8.00 4.20 0.00 1.82 1.77 0.00 2.04 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.51 7.81 33 K 8.70 4.37 0.00 1.72 1.85 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.48 7.81 34 I 7.67 5.51 1.86 0.00 0.00 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 1.22 0.19 0.89 0.00 0.00 35 A 8.22 4.38 0.95 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 36 R 8.00 4.95 0.00 1.67 1.59 0.00 3.12 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.68 0.00 37 F 9.52 5.11 0.00 3.05 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 38 K 8.81 5.02 0.00 1.79 1.75 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.45 7.81 39 T 8.61 4.24 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 40 R 8.61 3.98 0.00 1.99 2.07 0.00 3.27 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 41 Q 8.24 4.46 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.45 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 42 G 8.11 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 43 K 7.50 4.02 0.00 1.84 1.67 0.00 1.51 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.41 7.81 44 D 8.42 5.48 0.00 2.49 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 45 I 8.98 4.64 1.86 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.29 1.03 0.00 0.00 46 A 8.77 5.34 1.22 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 0.00 0.00 0.00 47 I 8.56 5.08 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.94 1.00 0.00 0.00 48 R 8.81 5.43 0.00 1.76 1.81 0.00 3.08 0.00 0.00 3.27 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 49 L 8.60 5.07 0.00 1.51 1.59 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.25 4.20 0.00 1.56 1.75 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.57 7.81 51 D 8.78 4.25 0.00 2.81 2.73 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 0.00 52 A 8.05 3.99 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 53 P 0.00 4.20 0.00 2.25 2.26 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.00 0.00 54 K 9.05 3.83 0.00 1.73 1.95 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.59 7.81 55 L 7.76 4.14 0.00 1.80 1.74 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.91 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 0.00 0.00 0.00 57 L 8.76 4.16 0.00 1.61 1.62 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 58 S 10.63 4.80 0.00 3.99 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 59 Q 9.04 4.01 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.36 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 60 G 9.63 3.88 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 0.00 0.00 0.00 61 D 7.76 4.80 0.00 2.62 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 62 I 9.01 4.37 1.97 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 1.13 0.78 0.90 0.00 0.00 63 L 8.95 4.25 0.00 1.72 1.81 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.93 4.80 0.00 3.13 2.77 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 65 K 7.53 4.71 0.00 1.61 1.46 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.63 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.21 1.25 7.81 66 E 9.55 4.34 0.00 1.71 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 67 E 8.49 3.96 0.00 2.25 1.12 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 2.23 2.27 0.00 68 K 8.84 4.83 0.00 2.03 1.99 0.00 1.44 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.47 7.81 69 E 8.32 4.77 0.00 2.25 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 0.00 2.48 2.47 0.00 70 I 8.73 5.16 1.76 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.81 0.00 0.00 71 I 9.30 5.68 1.98 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.23 0.89 0.00 0.00 72 A 8.34 5.26 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 73 V 8.44 4.22 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 0.86 0.00 0.00 0.92 0.00 0.00 74 N 9.50 5.17 0.00 2.68 2.91 0.00 0.00 6.71 8.85 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 75 I 8.81 4.82 2.01 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 1.21 0.70 0.93 0.00 0.00 76 L 8.95 4.17 0.00 1.46 1.60 0.91 0.90 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 77 D 8.62 4.97 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 9.17 4.66 0.00 3.94 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.75 4.35 0.00 1.97 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 0.00 2.37 2.13 0.00 80 V 8.45 4.61 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 0.81 0.00 0.00 0.81 0.00 0.00 81 I 8.83 4.57 1.90 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 1.45 0.59 0.97 0.00 0.00 82 H 9.42 5.14 0.00 3.30 3.25 0.00 5.76 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 83 I 9.55 4.93 2.16 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 1.03 0.00 0.00 84 Q 9.33 5.02 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 85 A 9.53 4.69 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 86 K 10.16 3.96 0.00 1.77 1.93 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.29 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.86 1.39 7.81 87 S 7.70 4.94 0.00 4.09 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 88 V 8.64 3.63 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.08 0.00 0.00 89 A 8.11 4.00 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 90 E 8.07 3.96 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 91 V 8.29 3.48 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 1.06 0.00 0.00 92 A 7.92 3.99 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 93 K 7.91 3.86 0.00 1.88 1.96 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.53 7.81 94 I 7.71 3.62 2.03 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 1.52 0.58 0.77 0.00 0.00 95 C 8.43 3.97 0.00 2.78 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 96 Y 7.92 3.99 0.00 3.07 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.69 3.72 0.00 2.24 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 2.28 2.33 0.00 98 I 8.05 3.67 1.88 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 1.40 0.45 0.84 0.00 0.00 99 G 8.35 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 0.00 100 N 7.64 4.07 0.00 2.37 2.67 0.00 0.00 7.21 7.21 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 0.00 101 R 7.69 3.86 0.00 1.87 1.96 0.00 3.38 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 102 H 7.73 4.12 0.00 3.38 3.40 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.42 4.22 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 0.00 104 A 8.18 4.54 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 0.00 105 L 7.76 4.83 0.00 1.64 1.30 0.97 0.60 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 0.00 106 Y 9.37 5.04 0.00 2.94 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 0.00 107 Y 8.96 4.28 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.06 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.41 3.99 0.00 1.98 1.87 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 2.26 2.11 0.00 110 S 7.75 4.70 0.00 3.86 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 0.00 111 Q 8.69 3.89 0.00 2.14 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.19 0.00 0.00 0.00 0.00 0.00 2.00 2.28 0.00 112 F 8.25 4.84 0.00 3.22 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 0.00 113 E 7.48 5.32 0.00 1.95 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 2.25 2.42 0.00 114 F 9.20 5.13 0.00 3.08 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 0.00 115 K 9.66 5.11 0.00 1.56 1.46 0.00 1.38 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.07 1.29 7.81 116 T 8.82 4.93 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 1.21 0.00 0.00 117 P 0.00 4.37 0.00 1.97 1.95 0.00 3.78 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.06 0.00 118 F 8.57 4.46 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 0.00 119 E 7.87 4.31 0.00 1.90 1.56 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 0.00 2.24 2.29 0.00 120 K 8.22 3.70 0.00 1.93 2.02 0.00 1.55 0.00 0.00 1.93 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 121 P 0.00 4.23 0.00 2.22 2.30 0.00 3.46 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 122 T 7.65 3.77 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 1.15 0.00 0.00 123 L 7.73 3.85 0.00 1.72 1.79 1.06 1.39 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 0.00 124 A 8.34 3.89 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 0.00 125 L 8.19 3.75 0.00 1.77 1.95 0.90 0.85 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 0.00 126 L 8.13 4.02 0.00 1.94 1.74 0.98 0.80 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 0.00 127 E 8.26 3.94 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 128 K 7.89 3.98 0.00 1.90 1.93 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.45 7.81 129 L 8.00 4.12 0.00 1.71 1.71 0.93 0.71 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 0.00 130 G 8.66 3.89 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 0.00 0.00 0.00 131 V 7.93 4.10 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 0.80 0.00 0.00 0.95 0.00 0.00 132 Q 8.59 4.53 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.50 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 133 N 8.47 6.06 0.00 2.84 2.77 0.00 0.00 6.17 7.66 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 0.00 134 R 8.35 4.76 0.00 1.74 1.79 0.00 3.12 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 135 V 8.44 4.59 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 0.76 0.00 0.00 1.09 0.00 0.00 136 L 8.99 4.80 0.00 1.59 1.44 0.64 0.74 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 0.00 137 S 8.72 4.69 0.00 3.85 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 0.00 138 S 9.19 4.77 0.00 3.85 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 0.00 139 K 8.57 4.61 0.00 1.80 1.67 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.49 7.81 140 L 8.19 4.16 0.00 1.23 0.57 -0.49 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.11 4.51 0.00 2.77 2.61 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 0.00 142 S 8.96 4.39 0.00 4.02 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 0.00 143 K 7.70 4.30 0.00 2.05 1.98 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.44 7.81 144 E 8.48 4.72 0.00 2.44 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 2.46 2.54 0.00 145 R 7.78 3.63 0.00 1.80 1.69 0.00 3.36 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.61 0.00 146 L 8.05 3.96 0.00 1.32 1.44 0.67 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.84 3.18 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 1.22 0.00 0.00 148 V 7.69 3.28 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 0.78 0.00 0.00 0.91 0.00 0.00 149 S 8.63 4.41 0.00 3.89 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