NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.3295 8.3149 120.1341 56.6540 33.5766 174.1667 6 T 4.5350 8.1769 115.1864 61.1087 71.4360 168.6162 7 V 4.4014 8.7766 123.9875 61.0051 35.4776 174.6658 8 I 4.1803 8.0811 126.6936 60.5483 38.1331 176.5393 9 K 4.4540 8.1146 124.2123 52.8487 31.9043 173.6888 10 P 4.4102 0.0000 0.0000 62.9176 32.5577 176.5858 11 L 4.9155 7.4761 117.9144 55.6829 43.4335 177.0609 12 G 4.0392 8.0179 106.2350 47.6744 0.0000 172.8457 13 D 4.4554 8.9609 119.6399 54.1320 38.3867 174.9158 14 R 4.3449 8.4436 120.3835 56.5735 31.1741 176.5808 15 V 4.5609 8.4474 116.9268 59.7578 35.3007 175.0683 16 V 4.5361 7.9274 119.2344 61.4618 33.6378 174.6038 17 V 5.0299 8.2432 128.1272 60.9558 33.8591 174.7682 18 K 4.9940 8.2047 125.6045 54.3511 33.0774 174.8828 19 R 4.8731 7.8152 124.4777 53.8919 32.0275 175.4196 20 I 4.6028 8.0766 121.8196 59.1849 40.0302 175.5491 21 E 4.0198 8.9131 126.7645 56.5724 29.9321 176.7794 22 E 4.2943 8.4887 122.7368 55.3535 30.5866 176.4086 23 E 4.0845 8.6544 121.0414 56.0774 30.2603 175.8742 24 P 4.2911 0.0000 0.0000 65.0765 31.4529 176.3654 25 K 4.7451 7.7295 116.7496 54.7270 35.0537 173.7049 26 T 4.8180 7.3353 109.8182 60.0532 70.8614 174.7007 27 K 4.2114 8.7327 119.3917 58.8915 32.6514 177.2675 28 G 3.9195 7.9904 107.1337 45.1576 0.0000 174.1458 29 G 3.8333 8.0302 108.0297 44.9285 0.0000 174.0859 30 I 3.7129 7.4289 120.7699 60.7268 36.3167 175.1973 31 V 4.2022 8.0933 126.2160 62.4116 31.5302 175.2113 32 L 4.4056 8.3865 130.8868 53.9543 43.0042 174.7552 33 P 4.5896 0.0000 0.0000 62.5893 32.4454 176.9984 34 D 4.5072 8.8193 120.3933 56.9293 40.7827 178.2282 35 T 4.2513 7.7197 114.8767 65.2731 69.1315 176.4271 36 A 4.1766 7.8568 122.0682 53.6087 18.8459 177.9220 37 K 4.0878 7.3303 116.2405 56.4765 33.3685 177.0046 38 E 4.4412 8.3789 123.2280 54.3815 31.3409 175.6917 39 K 4.1199 8.3190 119.6552 55.6307 32.4929 175.7340 40 P 4.2582 0.0000 0.0000 63.6426 31.6032 175.8987 41 Q 3.5918 8.3669 117.7537 55.2378 29.2592 174.8727 42 K 5.8039 7.3393 117.2133 53.3123 36.2494 175.3268 43 G 4.5316 8.0715 110.6887 46.5646 0.0000 171.3824 44 K 5.8180 7.7714 119.4357 53.9758 34.8862 176.2625 45 V 4.2034 8.3194 124.1181 63.1312 32.4803 176.0057 46 I 4.5087 8.7510 127.2692 60.6200 39.0931 175.5744 47 A 4.2444 7.3591 118.7421 51.2756 21.0156 176.1470 48 V 3.9526 8.5127 121.1948 63.4840 33.0313 174.7001 49 G 4.3068 7.6548 107.9738 43.9960 0.0000 172.2286 50 T 4.0620 8.6368 115.4160 63.8403 69.6822 174.5332 51 G 4.6380 8.7319 111.2105 45.1996 0.0000 172.9180 52 R 4.2699 8.3313 116.6897 55.4011 30.8743 175.9659 53 V 3.8703 8.4401 124.2117 62.7078 31.7549 176.0237 54 L 4.2938 8.3662 130.4403 54.8412 41.9079 176.8998 55 E 4.1949 8.6592 117.1073 58.7776 29.9103 177.0993 56 N 4.6637 8.1605 115.5701 52.6096 38.7538 176.2468 57 G 3.8241 8.1182 105.2289 45.8504 0.0000 173.5827 58 Q 4.2465 7.5004 119.7103 55.1581 29.9940 175.4809 59 R 4.6275 8.5594 124.2607 55.0383 30.7793 176.6219 60 V 3.8804 8.2105 126.4160 61.3693 32.1058 174.1617 61 P 4.5905 0.0000 0.0000 62.1721 32.1675 176.5205 62 L 4.1762 8.1960 120.7457 54.8592 42.1326 177.9417 63 E 4.0956 8.7804 119.9061 57.0101 29.2289 176.4528 64 V 4.3374 7.4864 119.7124 60.8497 33.5944 175.2689 65 K 4.3806 9.2466 127.0001 55.0607 33.0851 175.8760 66 E 4.0295 8.6196 122.7330 57.5251 27.5534 175.3718 67 G 3.2897 7.5689 111.2219 44.8607 0.0000 171.2854 68 D 4.7273 7.9447 121.7812 53.6539 43.1477 175.3786 69 I 4.6954 8.1816 120.5668 60.4377 38.5806 175.3836 70 V 4.8711 9.2145 127.7173 61.0797 34.7744 174.4277 71 V 5.0444 8.7050 125.2303 61.1130 33.6803 174.3956 72 F 5.5574 8.8501 122.0595 53.6518 41.5537 175.7024 73 A 4.1475 8.8358 121.9850 51.2336 16.0824 178.8511 74 K 4.1800 7.5907 120.7226 59.7235 33.8081 178.2694 75 Y 4.2278 7.7545 117.5922 59.2362 38.1064 176.2654 76 G 3.8773 7.4917 108.9976 44.5486 0.0000 169.7537 77 G 3.9138 8.6708 113.9196 45.0426 0.0000 173.8704 78 T 4.1286 8.3374 120.8618 64.1085 69.7616 172.9653 79 E 5.2455 8.5633 122.2590 55.1157 33.0887 175.1124 80 I 4.6497 8.9468 121.9541 60.3764 42.3580 173.1971 81 E 4.9219 8.6839 123.9923 54.9902 32.4804 175.3827 82 I 4.5331 9.3996 125.9460 61.5275 41.6159 175.0392 83 D 4.2326 9.8734 125.5929 55.4514 38.8656 173.7523 84 G 3.6646 8.0419 102.7126 44.1861 0.0000 173.1140 85 E 5.0685 7.3906 119.6841 55.8542 34.6053 175.7649 86 E 4.9253 8.5369 125.0824 55.0618 32.0568 174.4299 87 Y 4.9448 9.6482 119.8885 56.4933 43.5155 173.8002 88 V 4.6723 8.6302 118.9924 61.6601 34.4797 174.8912 89 I 4.5805 8.6642 130.0633 59.7634 36.3204 175.4009 90 L 4.4707 7.9240 126.6130 53.5859 43.9741 176.1916 91 S 4.8158 8.5221 117.6682 57.2231 65.2769 175.0158 92 E 4.2290 8.9783 117.6623 59.2276 29.9463 179.3229 93 R 3.9219 8.1995 118.0047 59.4334 30.2582 177.6908 94 D 4.4170 7.6056 117.7662 56.9297 40.9951 176.7018 95 L 4.3648 7.5053 119.3820 54.7804 41.7565 176.4519 96 L 4.4790 8.9857 124.5115 56.6515 43.2303 176.1482 97 A 4.4276 7.2200 117.8598 51.6355 22.7184 174.9305 98 V 4.8087 8.3259 116.5528 61.3954 34.7327 175.0577 99 L 4.4769 8.9469 128.0967 53.5402 42.5545 176.6642 100 Q 4.1592 8.6084 124.2564 56.1137 29.0781 174.9523 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 5 K 8.31 4.33 0.00 1.76 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.47 7.81 6 T 8.18 4.54 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 1.20 0.00 0.00 7 V 8.78 4.40 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.90 0.00 0.00 8 I 8.08 4.18 1.70 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.81 0.00 0.00 9 K 8.11 4.45 0.00 1.67 1.68 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.34 7.81 10 P 0.00 4.41 0.00 2.33 1.98 0.00 3.75 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 2.05 2.22 0.00 11 L 7.48 4.92 0.00 1.67 1.51 0.91 0.90 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 12 G 8.02 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 13 D 8.96 4.46 0.00 3.02 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 14 R 8.44 4.34 0.00 1.90 1.85 0.00 3.13 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 15 V 8.45 4.56 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 0.66 0.00 0.00 0.83 0.00 0.00 16 V 7.93 4.54 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 0.70 0.00 0.00 0.83 0.00 0.00 17 V 8.24 5.03 1.85 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 1.12 0.00 0.00 0.72 0.00 0.00 18 K 8.20 4.99 0.00 2.08 1.80 0.00 1.67 0.00 0.00 1.40 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.53 7.81 19 R 7.82 4.87 0.00 1.78 1.89 0.00 3.29 0.00 0.00 3.95 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 20 I 8.08 4.60 1.89 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 1.38 0.81 0.92 0.00 0.00 21 E 8.91 4.02 0.00 1.95 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 2.31 2.28 0.00 22 E 8.49 4.29 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 2.28 2.31 0.00 23 E 8.65 4.08 0.00 2.08 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 2.32 2.33 0.00 24 P 0.00 4.29 0.00 2.21 2.31 0.00 3.66 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 2.07 1.99 0.00 25 K 7.73 4.75 0.00 1.74 1.69 0.00 1.70 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.39 7.81 26 T 7.34 4.82 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 1.23 0.00 0.00 27 K 8.73 4.21 0.00 1.88 1.97 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.43 7.81 28 G 7.99 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 29 G 8.03 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.43 3.71 1.87 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 1.30 0.82 0.91 0.00 0.00 31 V 8.09 4.20 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 1.03 0.00 0.00 0.93 0.00 0.00 32 L 8.39 4.41 0.00 1.68 1.54 0.92 1.04 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 33 P 0.00 4.59 0.00 2.15 2.16 0.00 3.75 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 2.07 1.99 0.00 34 D 8.82 4.51 0.00 2.67 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 35 T 7.72 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 1.21 0.00 0.00 36 A 7.86 4.18 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 37 K 7.33 4.09 0.00 2.03 1.83 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.40 7.81 38 E 8.38 4.44 0.00 1.96 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 2.27 2.31 0.00 39 K 8.32 4.12 0.00 1.76 1.77 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.44 7.81 40 P 0.00 4.26 0.00 2.13 2.22 0.00 3.74 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 2.03 2.06 0.00 41 Q 8.37 3.59 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.79 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 42 K 7.34 5.80 0.00 1.66 1.69 0.00 2.04 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.16 7.81 43 G 8.07 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 0.00 0.00 0.00 0.00 44 K 7.77 5.82 0.00 1.76 1.74 0.00 1.97 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.29 7.81 45 V 8.32 4.20 2.14 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 0.97 0.00 0.00 0.92 0.00 0.00 46 I 8.75 4.51 1.70 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 1.44 1.13 0.82 0.00 0.00 47 A 7.36 4.24 1.14 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 0.00 0.00 0.00 48 V 8.51 3.95 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 0.91 0.00 0.00 49 G 7.65 4.31 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 0.00 0.00 0.00 50 T 8.64 4.06 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 1.20 0.00 0.00 51 G 8.73 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.33 4.27 0.00 1.90 2.24 0.00 2.97 0.00 0.00 3.51 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 53 V 8.44 3.87 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 54 L 8.37 4.29 0.00 1.77 1.65 0.92 1.22 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 55 E 8.66 4.19 0.00 1.96 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 2.30 2.32 0.00 56 N 8.16 4.66 0.00 2.74 2.81 0.00 0.00 7.09 8.17 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 57 G 8.12 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 0.00 0.00 0.00 58 Q 7.50 4.25 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 59 R 8.56 4.63 0.00 1.69 1.90 0.00 3.19 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 60 V 8.21 3.88 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.98 0.00 0.00 61 P 0.00 4.59 0.00 2.07 1.96 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 62 L 8.20 4.18 0.00 1.69 1.57 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.78 4.10 0.00 1.96 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 2.31 2.29 0.00 64 V 7.49 4.34 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 0.83 0.00 0.00 0.93 0.00 0.00 65 K 9.25 4.38 0.00 2.11 1.69 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.40 7.81 66 E 8.62 4.03 0.00 1.94 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 2.29 2.36 0.00 67 G 7.57 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 0.00 0.00 0.00 68 D 7.94 4.73 0.00 2.67 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 69 I 8.18 4.70 2.04 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 1.25 0.66 0.94 0.00 0.00 70 V 9.21 4.87 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 1.03 0.00 0.00 0.95 0.00 0.00 71 V 8.70 5.04 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 0.90 0.00 0.00 0.92 0.00 0.00 72 F 8.85 5.56 0.00 3.05 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 73 A 8.84 4.15 0.71 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 0.00 0.00 74 K 7.59 4.18 0.00 1.81 1.62 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.52 7.81 75 Y 7.75 4.23 0.00 3.06 3.17 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 0.00 0.00 0.00 76 G 7.49 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 77 G 8.67 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 78 T 8.34 4.13 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 79 E 8.56 5.25 0.00 1.82 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 2.22 2.45 0.00 80 I 8.95 4.65 1.93 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 1.13 0.61 0.95 0.00 0.00 81 E 8.68 4.92 0.00 1.92 1.79 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 2.19 2.38 0.00 82 I 9.40 4.53 2.05 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 1.36 0.73 0.95 0.00 0.00 83 D 9.87 4.23 0.00 2.79 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 84 G 8.04 3.66 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 85 E 7.39 5.07 0.00 2.12 1.84 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 2.00 1.48 0.00 86 E 8.54 4.93 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 87 Y 9.65 4.94 0.00 2.74 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 88 V 8.63 4.67 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 0.98 0.00 0.00 0.96 0.00 0.00 89 I 8.66 4.58 1.85 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 1.20 1.53 0.87 0.00 0.00 90 L 7.92 4.47 0.00 1.39 1.39 -0.25 0.55 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 91 S 8.52 4.82 0.00 3.78 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 92 E 8.98 4.23 0.00 2.16 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 2.28 2.28 0.00 93 R 8.20 3.92 0.00 1.83 2.07 0.00 3.23 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 94 D 7.61 4.42 0.00 2.95 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 95 L 7.51 4.36 0.00 1.77 1.64 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.99 4.48 0.00 1.68 1.72 0.92 0.99 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 97 A 7.22 4.43 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 98 V 8.33 4.81 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 0.90 0.00 0.00 0.94 0.00 0.00 99 L 8.95 4.48 0.00 1.52 1.61 0.93 0.79 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 0.00 100 Q 8.61 4.16 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00