NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4358 8.3044 118.1944 55.0979 32.5489 174.2633 1 V 4.2188 7.9329 118.6015 60.6342 34.1746 173.7131 2 L 4.2849 8.2890 127.5651 54.0094 43.6362 176.8798 3 S 4.5441 8.6394 117.4942 57.7250 65.4313 175.1354 4 E 4.3694 8.7650 121.7955 59.2837 29.3726 178.7689 5 G 3.6370 8.1076 105.4974 47.4881 0.0000 175.5334 6 E 3.9439 8.0690 120.5775 59.1187 29.4805 179.2793 7 W 4.3881 7.9444 118.7155 59.8260 29.0790 178.5576 8 Q 4.1104 8.5123 118.0847 59.1791 28.1664 178.7995 9 L 4.0980 8.0540 119.8686 57.9350 41.5571 179.9463 10 V 3.8006 7.9000 118.1644 65.8518 31.6449 177.6559 11 L 4.4434 8.6954 117.6946 56.4924 41.2876 178.5289 12 H 4.3056 8.4089 119.3259 58.9948 29.9223 177.2823 13 V 3.4343 7.8209 119.8518 65.6507 31.3791 177.5249 14 W 3.9346 8.5537 128.0588 60.6944 30.1669 177.7371 15 A 3.9615 8.0121 119.4105 54.7460 17.9881 179.5716 16 K 3.9183 7.2174 117.0567 59.4433 32.2438 179.3500 17 V 2.8567 7.1458 118.4198 65.9701 30.9773 177.4565 18 E 3.9545 7.5387 115.0066 57.7256 29.2602 178.4198 19 A 4.2833 7.5467 121.3436 53.5301 19.8635 177.1894 20 D 4.5853 7.9258 116.6268 51.6730 41.7766 175.6299 21 V 3.5196 7.9685 123.2831 65.1348 31.8999 176.9953 22 A 4.0511 7.9487 120.3571 54.9413 18.4392 179.6013 23 G 3.9459 8.2952 105.5807 47.8717 0.0000 175.6096 24 H 4.1375 8.2583 119.2902 58.1715 28.6740 177.8830 25 G 3.7495 8.2312 107.7583 47.9980 0.0000 175.1721 26 Q 3.8960 7.9536 122.2012 58.9958 29.0244 177.7099 27 D 4.3333 7.8562 119.4362 57.7297 40.9112 178.9121 28 I 3.6375 7.8556 119.6749 64.8196 37.1958 178.5485 29 L 3.4566 7.7492 119.2870 57.4965 41.2366 179.8454 30 I 3.7054 7.7105 119.8203 64.3555 37.0331 178.2765 31 R 3.8026 8.0347 119.7304 59.2604 29.7971 178.2262 32 L 3.8926 7.8096 119.9732 58.3124 41.5859 179.0851 33 F 4.5892 7.8645 117.7927 60.4481 38.5672 178.0004 34 K 4.0113 8.2541 117.5892 59.5913 32.0141 179.2176 35 S 4.3540 8.0793 114.2903 60.4986 63.7154 174.7204 36 H 4.7197 8.4510 120.9045 52.2860 29.5560 172.1310 37 P 4.5686 0.0000 0.0000 64.5496 31.2058 177.7692 38 E 4.3538 8.5325 117.8347 59.0443 29.3860 179.1879 39 T 3.7614 8.3603 110.9979 64.2770 68.7965 176.3471 40 L 3.7309 7.9919 123.5212 57.8398 41.7786 178.5705 41 E 4.0648 8.0574 118.8186 59.2453 29.1244 179.2407 42 K 4.3519 8.1129 117.2696 57.2478 32.2492 176.8063 43 F 4.5263 7.9525 119.2395 55.9510 39.0562 176.4330 44 D 4.5096 8.6704 126.3087 56.4053 41.1299 178.0193 45 R 4.2736 8.0823 117.3022 57.8971 30.9722 177.3114 46 L 4.2914 8.1337 116.7851 56.6520 42.7945 179.6944 47 K 4.4160 8.4015 120.1381 59.4511 32.6001 176.7878 48 H 4.3338 8.1307 112.1712 57.2671 28.7141 175.5757 49 L 4.0693 7.3126 121.3722 55.0430 41.8362 176.7936 50 K 4.3197 9.3676 122.8846 57.1496 33.8468 176.5340 51 T 4.7090 7.2876 107.4299 59.1280 73.1080 174.1547 52 E 3.9546 8.5768 119.8351 59.0671 29.3509 178.2380 53 A 3.9822 7.8883 119.9991 55.0889 18.6543 178.9665 54 E 4.0689 8.0853 117.0588 59.7196 29.5982 179.4339 55 M 4.0885 8.2388 118.9132 58.3598 31.8024 178.9802 56 K 4.0713 8.3357 117.6950 58.4474 32.2881 178.2100 57 A 4.6073 7.3349 118.4670 50.7560 19.6089 176.6342 58 S 4.2877 7.4749 114.3930 57.4616 62.9995 174.6030 59 E 4.0134 8.8618 128.8952 59.4300 29.4958 178.3170 60 D 4.3898 8.0779 118.6865 57.0870 40.8953 178.2944 61 L 3.9767 8.2260 121.2136 58.0022 41.9835 178.9603 62 K 3.9602 7.9486 119.2456 59.4425 32.1305 178.9896 63 K 4.0192 8.3180 118.9775 59.6560 31.8580 178.8778 64 H 4.3119 8.4101 118.7866 59.0976 29.7757 177.4761 65 G 3.6339 8.3410 107.7237 47.8081 0.0000 175.8578 66 V 3.6237 7.6450 120.4770 66.0437 31.6203 178.2240 67 T 3.8721 7.7705 115.5469 66.5970 68.2499 176.7172 68 V 3.5800 7.9057 120.1478 66.1979 31.5636 178.1938 69 L 4.2128 8.1738 118.6885 57.9249 41.3963 179.7018 70 T 3.9498 8.1901 115.8048 66.5442 68.2604 176.6127 71 A 3.9820 7.9785 122.6185 54.9981 18.3304 179.4684 72 L 3.6840 8.1927 119.1585 58.0313 42.1256 179.3328 73 G 3.2713 8.3390 105.6666 47.7855 0.0000 175.5451 74 A 4.0470 7.7343 121.9376 54.5492 18.5688 179.5852 75 I 3.8125 7.2782 118.7395 64.4702 37.2109 178.5077 76 L 3.9536 7.7652 119.9990 57.6490 41.1757 179.6632 77 K 3.9283 7.6477 117.1313 58.7112 32.2229 179.1312 78 K 3.9088 7.8138 118.8485 56.6366 31.9742 177.0566 79 K 2.0000 8.1913 117.4481 56.5331 29.6434 176.3491 80 G 4.0446 8.1504 107.3567 45.7548 0.0000 174.6897 81 H 4.5453 7.5299 119.1249 54.8821 26.7444 174.6146 82 H 5.1938 7.5338 112.0396 53.8979 29.8361 176.1809 83 E 4.0168 8.5046 121.0032 60.4135 28.3649 179.0350 84 A 4.0324 7.9509 120.8057 54.9061 18.3608 179.2775 85 E 3.7168 8.0281 115.9813 58.8650 29.5253 178.7514 86 L 4.2273 7.9028 119.9603 56.8395 42.1761 178.5549 87 K 3.9888 7.6007 118.9660 59.0875 32.0822 177.2715 88 P 4.2756 0.0000 0.0000 65.8426 31.1589 178.1975 89 L 4.0144 7.4942 119.5687 58.0214 42.0044 178.8262 90 A 4.2341 8.6166 121.1675 55.1232 18.2799 179.4622 91 Q 3.8993 8.3167 118.6665 59.2736 29.1756 178.4791 92 S 4.0654 8.2793 115.4077 61.6920 63.1452 176.2253 93 H 4.2001 8.5100 119.6457 58.3555 28.2338 177.6017 94 A 2.7031 8.3112 122.9176 53.7708 18.0499 178.6388 95 T 4.0285 7.5410 109.0817 61.6832 69.1818 174.4584 96 K 4.2012 7.7490 119.8872 58.5840 33.4478 176.7262 97 H 4.2814 8.0966 114.5675 56.4459 29.5137 175.0454 98 K 3.2376 6.8141 116.7971 56.6015 28.3851 176.1998 99 I 4.3633 7.9648 119.3144 58.5766 38.8188 175.0081 100 P 4.5198 0.0000 0.0000 62.3684 32.0888 177.3119 101 I 3.6425 7.9761 121.4379 64.5068 36.9237 178.4594 102 K 3.5998 7.9642 119.8763 59.9877 31.8722 178.1912 103 Y 4.1393 7.7574 116.4350 61.0547 37.8586 178.5601 104 L 4.2179 7.9003 119.5366 57.5981 41.8619 179.2242 105 E 4.0220 8.1510 118.8087 59.3969 29.4714 179.1958 106 F 4.6609 7.9704 117.8330 60.9058 39.0124 177.6223 107 I 3.9155 8.1425 117.8636 63.8390 37.7604 178.0803 108 S 4.2623 8.0848 116.1678 61.4747 62.6061 176.1128 109 E 4.0807 8.3908 121.7223 59.0525 29.3854 178.6223 110 A 4.1416 7.9476 120.4582 54.8023 18.3815 179.7018 111 I 3.7874 7.8870 118.7355 64.5828 37.2206 178.6548 112 I 3.8914 8.0202 120.8058 64.3019 36.8586 178.0702 113 H 4.1526 8.2711 119.3423 59.2090 29.7262 177.4701 114 V 3.5348 7.8954 119.9420 66.0255 31.3635 177.7445 115 L 3.7938 7.9049 118.8636 58.0195 41.1145 178.8901 116 H 4.3147 7.8160 116.6160 59.6208 29.8521 177.1332 117 S 4.1949 7.8184 115.3391 61.7832 62.7783 176.6429 118 R 3.9805 8.0644 119.7235 57.8781 31.1595 176.9471 119 H 5.0515 8.0701 115.2609 53.9738 29.0853 173.3861 120 P 4.3385 0.0000 0.0000 65.7085 31.7963 179.3845 121 G 3.6660 8.1293 106.8135 47.4934 0.0000 173.7872 122 N 5.0084 8.2071 115.2144 52.9409 39.1129 174.5963 123 F 5.0584 7.8415 119.8855 56.8535 39.9285 175.3131 124 G 3.8768 7.8825 107.8757 44.1849 0.0000 172.5082 125 A 3.8911 8.4018 120.6081 55.2162 18.2924 179.7195 126 D 4.1712 7.9489 116.5928 57.6009 41.0335 178.7997 127 A 3.9599 7.8462 120.5802 55.0671 18.2574 179.2748 128 Q 3.2339 7.8360 118.4678 58.6724 29.0085 178.5513 129 G 3.4532 8.0655 106.9138 47.6775 0.0000 175.6580 130 A 3.9035 8.2359 123.8402 54.8620 18.2441 179.4648 131 M 4.0290 8.4961 117.3087 58.7798 32.3139 177.9413 132 N 4.3173 8.4987 117.6018 56.7128 39.0496 176.9658 133 K 3.8986 8.1342 119.6419 59.3849 32.0491 179.2344 134 A 3.8533 7.9712 121.0695 54.9754 18.2060 179.6284 135 L 4.1641 8.2954 117.6891 57.5840 41.6917 179.4479 136 E 3.9594 8.5911 119.2566 59.0988 29.4016 178.8714 137 L 3.9175 8.2713 120.7799 58.2253 42.1018 178.4574 138 F 4.1219 8.3872 120.5485 61.7499 39.1217 177.4582 139 R 3.3986 8.1238 117.3213 58.8350 29.9542 179.0063 140 K 3.8197 8.1358 119.5725 59.7084 32.3744 178.7058 141 D 4.3566 8.1001 119.0957 57.1800 40.5776 178.9175 142 I 3.4398 7.6634 120.5800 64.1900 37.0482 178.2957 143 A 3.8005 7.9330 121.5924 54.9716 17.9658 179.5041 144 A 4.0191 7.8453 118.9789 54.9291 18.3938 179.9590 145 K 4.0497 7.8318 116.8644 59.5598 32.1386 179.0347 146 Y 4.3401 8.4556 117.5672 61.1769 37.6988 178.7449 147 K 4.0048 8.2483 120.4845 59.4858 32.0690 178.8210 148 E 3.9985 7.9311 118.0994 58.9804 29.4794 178.4809 149 L 4.3490 7.9617 116.9791 55.1932 41.9480 177.7471 150 G 3.9696 8.3317 107.7338 45.5104 0.0000 173.2270 151 Y 4.2642 7.9408 121.2044 58.7300 40.8473 176.7307 152 Q 3.0831 7.5816 118.4236 56.9690 27.2208 174.2554 153 G 2.5437 6.4475 115.7466 45.3458 0.0000 172.5178 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 0 M 8.30 4.44 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.93 4.22 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.29 4.28 0.00 0.88 0.72 0.60 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.64 4.54 0.00 4.06 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 4 E 8.76 4.37 0.00 2.21 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 0.00 2.43 2.52 0.00 5 G 8.11 3.64 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 6 E 8.07 3.94 0.00 1.97 1.71 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 2.22 2.26 0.00 7 W 7.94 4.39 0.00 3.58 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 8 Q 8.51 4.11 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.79 0.00 9 L 8.05 4.10 0.00 1.90 1.78 0.90 0.65 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 10 V 7.90 3.80 2.44 0.00 0.00 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 0.97 0.00 0.00 11 L 8.70 4.44 0.00 1.82 1.80 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.41 4.31 0.00 3.48 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.82 3.43 2.27 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 1.02 0.00 0.00 1.32 0.00 0.00 14 W 8.55 3.93 0.00 3.67 3.12 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 0.00 0.00 0.00 15 A 8.01 3.96 1.36 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 0.00 0.00 0.00 16 K 7.22 3.92 0.00 1.31 1.64 0.00 1.63 0.00 0.00 1.45 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.57 7.81 17 V 7.15 2.86 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 0.00 0.00 -0.07 0.00 0.00 0.43 0.00 0.00 18 E 7.54 3.95 0.00 1.97 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 2.22 2.03 0.00 19 A 7.55 4.28 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 20 D 7.93 4.59 0.00 2.70 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 21 V 7.97 3.52 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 1.05 0.00 0.00 0.85 0.00 0.00 22 A 7.95 4.05 1.31 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 23 G 8.30 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 24 H 8.26 4.14 0.00 3.14 3.27 0.00 5.84 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 25 G 8.23 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 26 Q 7.95 3.90 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 27 D 7.86 4.33 0.00 2.92 2.67 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 0.00 0.00 0.00 0.00 28 I 7.86 3.64 1.91 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 1.52 0.66 0.89 0.00 0.00 29 L 7.75 3.46 0.00 1.57 1.16 0.95 0.67 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 30 I 7.71 3.71 1.91 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 1.46 0.83 0.91 0.00 0.00 31 R 8.03 3.80 0.00 1.85 2.07 0.00 3.03 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 32 L 7.81 3.89 0.00 1.72 1.35 1.05 0.83 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 33 F 7.86 4.59 0.00 3.05 2.86 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 34 K 8.25 4.01 0.00 1.75 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.61 7.81 35 S 8.08 4.35 0.00 3.75 3.55 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 36 H 8.45 4.72 0.00 2.88 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.57 0.00 2.16 2.09 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 38 E 8.53 4.35 0.00 2.31 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 0.00 2.32 2.41 0.00 39 T 8.36 3.76 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 0.75 0.00 0.00 40 L 7.99 3.73 0.00 1.40 1.74 -0.08 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.06 4.06 0.00 2.32 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 0.00 2.36 2.38 0.00 42 K 8.11 4.35 0.00 1.86 1.70 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.68 1.97 7.81 43 F 7.95 4.53 0.00 3.20 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 44 D 8.67 4.51 0.00 2.66 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 45 R 8.08 4.27 0.00 1.89 2.05 0.00 3.24 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 46 L 8.13 4.29 0.00 1.67 1.40 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.40 4.42 0.00 1.90 1.81 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.44 7.81 48 H 8.13 4.33 0.00 3.30 3.43 0.00 5.59 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.31 4.07 0.00 1.51 1.53 0.83 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.37 4.32 0.00 1.73 1.81 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.50 7.81 51 T 7.29 4.71 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 52 E 8.58 3.95 0.00 2.06 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 2.37 0.00 53 A 7.89 3.98 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 54 E 8.09 4.07 0.00 2.21 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 2.32 2.34 0.00 55 M 8.24 4.09 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 56 K 8.34 4.07 0.00 1.91 1.87 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.46 1.51 7.81 57 A 7.33 4.61 1.31 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 58 S 7.47 4.29 0.00 3.91 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 59 E 8.86 4.01 0.00 2.13 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 2.47 0.00 60 D 8.08 4.39 0.00 2.76 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 61 L 8.23 3.98 0.00 1.72 1.82 1.06 0.65 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 62 K 7.95 3.96 0.00 1.86 2.02 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 63 K 8.32 4.02 0.00 1.89 1.88 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.73 7.81 64 H 8.41 4.31 0.00 3.46 3.47 0.00 5.79 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 65 G 8.34 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 66 V 7.64 3.62 2.25 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 1.04 0.00 0.00 0.96 0.00 0.00 67 T 7.77 3.87 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 1.24 0.00 0.00 68 V 7.91 3.58 2.22 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 1.16 0.00 0.00 1.00 0.00 0.00 69 L 8.17 4.21 0.00 1.80 1.89 0.91 0.79 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 70 T 8.19 3.95 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 1.24 0.00 0.00 71 A 7.98 3.98 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 72 L 8.19 3.68 0.00 1.67 1.59 0.27 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.34 3.27 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 0.00 74 A 7.73 4.05 1.33 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 0.00 0.00 0.00 75 I 7.28 3.81 1.79 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 1.52 0.60 0.84 0.00 0.00 76 L 7.77 3.95 0.00 1.23 1.57 -0.18 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.65 3.93 0.00 1.79 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.25 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.51 7.81 78 K 7.81 3.91 0.00 1.84 1.76 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.86 7.81 79 K 8.19 2.00 0.00 1.34 0.74 0.00 1.40 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.61 1.05 7.81 80 G 8.15 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 81 H 7.53 4.55 0.00 3.17 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.53 5.19 0.00 3.32 3.42 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.50 4.02 0.00 2.20 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 0.00 2.39 2.37 0.00 84 A 7.95 4.03 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 85 E 8.03 3.72 0.00 2.29 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 0.00 2.32 2.36 0.00 86 L 7.90 4.23 0.00 2.12 1.68 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.60 3.99 0.00 1.70 1.85 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.62 7.81 88 P 0.00 4.28 0.00 2.30 2.34 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 89 L 7.49 4.01 0.00 1.79 1.97 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.62 4.23 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.32 3.90 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.28 4.07 0.00 3.94 4.10 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 0.00 0.00 0.00 93 H 8.51 4.20 0.00 3.66 3.64 0.00 5.81 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 94 A 8.31 2.70 0.81 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 0.00 0.00 95 T 7.54 4.03 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 1.13 0.00 0.00 96 K 7.75 4.20 0.00 1.55 1.64 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.05 1.29 7.81 97 H 8.10 4.28 0.00 2.94 3.16 0.00 5.79 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.81 3.24 0.00 1.84 1.86 0.00 1.50 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.17 7.81 99 I 7.96 4.36 2.12 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 1.53 0.96 1.16 0.00 0.00 100 P 0.00 4.52 0.00 1.93 1.97 0.00 3.27 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 0.73 1.48 0.00 101 I 7.98 3.64 1.81 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 1.38 1.05 0.85 0.00 0.00 102 K 7.96 3.60 0.00 1.70 1.61 0.00 0.97 0.00 0.00 1.57 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.07 7.81 103 Y 7.76 4.14 0.00 3.21 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 0.00 104 L 7.90 4.22 0.00 1.82 1.78 0.70 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.15 4.02 0.00 2.07 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 0.00 2.32 2.46 0.00 106 F 7.97 4.66 0.00 3.14 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 0.00 107 I 8.14 3.92 2.00 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 1.59 1.38 1.09 0.00 0.00 108 S 8.08 4.26 0.00 4.25 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 0.00 109 E 8.39 4.08 0.00 2.21 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 2.38 2.41 0.00 110 A 7.95 4.14 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 0.00 111 I 7.89 3.79 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.79 1.05 0.00 0.00 112 I 8.02 3.89 2.12 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 1.70 1.09 1.11 0.00 0.00 113 H 8.27 4.15 0.00 3.43 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.90 3.53 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 0.99 0.00 0.00 1.04 0.00 0.00 115 L 7.90 3.79 0.00 0.48 0.72 0.76 1.15 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 0.00 116 H 7.82 4.31 0.00 3.55 3.62 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.82 4.19 0.00 3.81 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 0.00 118 R 8.06 3.98 0.00 1.55 1.53 0.00 2.79 0.00 0.00 3.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 119 H 8.07 5.05 0.00 3.22 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.77 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 4.34 0.00 2.21 2.26 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.13 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.21 5.01 0.00 2.80 2.94 0.00 0.00 6.68 7.55 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 0.00 123 F 7.84 5.06 0.00 2.90 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 0.00 124 G 7.88 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 0.00 125 A 8.40 3.89 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 0.00 126 D 7.95 4.17 0.00 2.66 2.68 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 0.00 127 A 7.85 3.96 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 0.00 128 Q 7.84 3.23 0.00 1.25 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 129 G 8.07 3.45 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 0.00 0.00 0.00 0.00 130 A 8.24 3.90 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 0.00 131 M 8.50 4.03 0.00 2.38 2.43 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.92 0.00 132 N 8.50 4.32 0.00 2.87 2.91 0.00 0.00 7.25 6.79 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 0.00 133 K 8.13 3.90 0.00 1.98 1.64 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.47 7.81 134 A 7.97 3.85 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 0.00 135 L 8.30 4.16 0.00 1.77 1.84 1.01 1.10 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 0.00 136 E 8.59 3.96 0.00 2.13 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 2.62 0.00 137 L 8.27 3.92 0.00 1.84 1.96 1.03 1.00 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 0.00 138 F 8.39 4.12 0.00 3.13 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 0.00 139 R 8.12 3.40 0.00 1.97 1.82 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 140 K 8.14 3.82 0.00 1.76 1.98 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 8.10 4.36 0.00 2.85 2.68 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 0.00 142 I 7.66 3.44 1.24 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 0.82 -0.07 0.05 0.00 0.00 143 A 7.93 3.80 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 0.00 144 A 7.85 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.05 0.00 2.06 1.93 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.41 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 146 Y 8.46 4.34 0.00 3.38 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 0.00 147 K 8.25 4.00 0.00 1.87 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 148 E 7.93 4.00 0.00 2.14 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 0.00 2.36 2.53 0.00 149 L 7.96 4.35 0.00 1.80 1.71 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.33 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 0.00 151 Y 7.94 4.26 0.00 2.56 2.68 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 0.00 152 Q 7.58 3.08 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 153 G 6.45 2.54 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 0.00