NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1594 8.1727 122.0504 56.2788 34.1168 174.1012 2 V 4.6712 8.1652 126.9492 60.6196 32.4412 174.3948 3 F 4.4758 10.0695 128.9433 57.6017 40.1758 174.9145 4 E 4.2311 9.1485 121.1932 55.4929 31.0508 176.6527 5 R 3.2957 8.9631 120.2435 61.0495 29.9953 179.3969 6 C 4.3135 7.9717 115.4049 59.6465 35.6295 175.7776 7 E 3.8767 8.0655 120.8236 59.1212 29.2371 178.4734 8 L 3.5642 7.9820 120.1445 57.8827 42.1123 178.5546 9 A 3.8910 7.8736 120.7336 55.5095 18.2151 179.9324 10 R 3.9311 7.9319 116.1679 59.3652 30.0933 179.4790 11 T 3.8340 7.7861 115.5797 66.5825 68.4821 176.6444 12 L 3.7932 7.9420 121.0972 57.5460 41.7166 179.4225 13 K 3.8776 8.0294 119.4673 59.7517 31.9127 179.0043 14 R 3.9864 7.9765 117.1518 59.0002 30.0188 178.1321 15 L 4.3740 7.4734 115.9574 54.4833 41.6127 177.3778 16 G 3.8976 7.8065 106.6553 46.5169 0.0000 174.9155 17 M 4.0467 7.8527 120.3420 56.2163 32.3095 175.6324 18 D 4.5332 8.0306 117.7637 55.5805 40.6901 175.5204 19 G 3.9492 9.3618 115.1231 45.5111 0.0000 171.0427 20 Y 4.2767 8.1520 121.5657 58.7969 38.9987 176.5308 21 R 3.5435 8.9918 126.8783 57.2964 27.7984 177.2083 22 G 3.8025 8.1394 103.0306 45.7587 0.0000 174.0009 23 I 4.0327 7.6716 122.2438 59.3357 37.9418 175.9576 24 S 4.6740 8.2911 120.9170 57.8843 64.9451 174.8044 25 L 4.2537 8.5992 123.7011 58.4766 41.9065 178.9709 26 A 4.1539 8.1496 120.2265 55.1858 18.2967 179.3115 27 N 4.4524 8.0656 115.1466 56.3824 38.6329 177.6260 28 W 4.3692 7.9133 119.8511 60.1415 29.0870 178.4763 29 M 4.0455 8.5656 118.9604 58.5628 31.4336 178.0071 30 C 3.1120 8.0361 118.5376 58.9965 41.0359 175.2593 31 L 4.0076 8.0828 121.9232 58.3955 41.7353 179.0502 32 L 3.8326 7.9839 118.9272 57.3288 41.4481 179.3709 33 K 2.7779 8.0188 119.6752 59.2256 31.8823 178.9936 34 W 4.0821 7.6758 117.3664 59.3974 29.0269 178.2778 35 E 4.3430 8.5540 118.9606 58.8681 28.9743 178.1960 36 S 4.4819 8.0258 108.6329 57.4773 65.6412 174.2755 37 G 3.2576 8.3876 108.7669 47.0603 0.0000 173.2981 38 Y 3.6291 7.5710 112.9491 58.8378 35.3797 169.0860 39 N 5.3461 7.7327 118.7471 51.9527 40.2627 175.1146 40 T 4.2287 9.2531 117.9093 63.6170 69.9862 175.9265 41 R 4.5393 8.0138 117.0610 55.7480 30.5004 176.4987 42 A 4.2589 7.8180 122.9470 52.9445 19.4160 177.1834 43 T 5.0676 8.2617 115.1226 60.6945 71.1499 172.5759 44 N 4.9347 8.9069 125.7984 52.2291 42.3208 172.3812 45 Y 4.6633 8.7551 127.7032 57.1866 40.9271 173.7796 46 N 4.8170 8.3993 124.5507 51.1236 39.1124 175.3282 47 A 3.7152 8.1780 127.4461 54.3944 19.0437 179.2459 48 G 3.7009 8.0495 104.7453 48.0545 0.0000 174.0803 49 D 4.7534 7.5921 116.4999 52.0572 39.9964 176.1635 50 R 4.0972 8.0490 115.6606 56.8289 28.2838 175.9538 51 S 4.9440 7.2609 112.7310 57.1945 66.3060 172.8096 52 T 5.1073 8.8592 116.1169 62.0029 72.7643 172.8380 53 D 5.4051 9.1791 125.7287 53.3662 43.1865 175.0509 54 Y 4.9077 9.2077 121.0424 57.4076 41.5001 177.4139 55 G 4.7187 8.9596 111.6950 46.1993 0.0000 173.6736 56 I 4.0424 8.4571 117.1581 63.3221 38.1018 177.9109 57 F 4.2972 8.3478 116.2252 57.0878 39.7463 175.0616 58 Q 3.6844 7.8139 118.6157 57.0269 26.6974 174.2479 59 I 4.2499 7.9539 118.2740 61.2712 38.8082 176.6965 60 N 5.4220 9.1402 126.1068 53.4292 39.7394 175.7962 61 S 4.5437 9.1701 120.6547 60.8916 63.3685 175.4318 62 R 3.7800 8.7939 122.3011 58.8611 30.3725 177.7726 63 Y 4.5288 7.7461 113.4038 57.0091 40.5880 176.5981 64 W 5.1044 8.0340 119.0414 57.6702 31.1831 173.8684 65 C 5.6024 8.1442 111.5175 53.8255 46.1985 172.9659 66 N 5.0035 8.9866 119.3651 52.1147 39.9279 174.7652 67 D 4.7780 8.8287 124.1760 52.2714 40.3326 177.0608 68 G 3.9458 8.4882 107.6005 46.1868 0.0000 174.3602 69 K 4.5520 8.2052 116.1999 56.3517 33.0557 175.6506 70 T 4.5255 7.6414 117.0825 61.2054 69.9019 172.1820 71 P 4.3333 0.0000 0.0000 63.8225 31.7279 176.1483 72 G 3.8916 8.8442 109.7936 46.2906 0.0000 173.1465 73 A 4.3361 7.3659 119.7087 51.5753 19.4671 177.5767 74 V 4.3508 8.3905 112.4502 59.3326 35.5425 176.1721 75 N 4.9397 8.0084 116.5220 52.1562 37.7397 174.6651 76 A 3.9711 9.0398 125.1030 54.8222 19.0933 178.4252 77 C 4.5516 8.5104 111.0407 57.2280 41.1648 173.0916 78 H 4.0274 7.8291 116.6603 56.5372 26.3657 174.1047 79 L 4.8060 8.2849 117.9385 52.8841 46.5487 176.7294 80 S 4.6232 8.3505 115.4955 57.9813 63.3412 176.0254 81 C 4.0938 8.6334 123.8949 59.6466 38.9295 176.4100 82 S 3.9022 7.8000 114.4236 61.1583 61.6370 175.9293 83 A 4.1188 7.7948 122.6958 54.4378 18.1808 177.9364 84 L 4.4716 7.7792 116.1956 55.1319 41.7998 177.6133 85 L 5.1406 7.7770 117.3782 54.5687 42.2757 176.6265 86 Q 4.4174 7.8269 117.6331 55.2316 29.6716 175.9537 87 D 4.4320 8.5751 120.4105 57.1515 41.1674 176.8550 88 N 4.5804 8.0574 118.1594 53.3068 39.4030 174.7085 89 I 4.3227 8.5020 118.5160 60.9578 38.0171 177.0800 90 A 3.9362 8.4018 124.6257 55.9807 18.2084 179.9589 91 D 4.2542 8.1192 116.4312 57.4705 40.9346 178.8400 92 A 3.9996 7.9573 120.8251 55.0681 18.5247 179.6727 93 V 3.1537 8.1931 117.0041 65.9469 31.6813 178.1471 94 A 3.8189 8.0486 120.6786 55.1392 18.0832 178.8601 95 C 4.1557 8.0179 116.8941 59.7000 40.1432 175.6840 96 A 3.6361 7.9310 122.7002 54.7879 17.4505 179.8351 97 K 3.8086 7.4892 116.5794 59.3635 32.4277 179.1593 98 R 4.0706 7.6286 118.5860 59.3277 30.0125 178.5671 99 V 2.6093 7.5322 118.0474 65.8865 31.2419 178.0787 100 V 3.9090 7.5294 108.6477 62.7816 31.5321 177.8846 101 R 4.2276 7.7037 117.3518 57.0240 30.4753 176.3698 102 D 4.7120 7.6382 119.4959 52.8139 41.8849 175.3902 103 P 4.2161 0.0000 0.0000 66.1963 31.3814 178.1892 104 Q 4.0362 8.2082 116.3386 57.0378 30.0649 177.9078 105 G 3.7734 7.7497 106.2277 46.1874 0.0000 176.6132 106 I 3.6482 7.8348 121.7442 63.3766 37.8591 177.5283 107 R 4.2879 7.2572 117.5596 57.5504 29.9945 177.3901 108 A 4.0486 7.6972 121.3163 54.4298 18.7399 177.8471 109 W 4.6146 8.1391 117.3824 55.6059 29.4274 177.4217 110 V 3.7432 8.7709 124.0019 66.0145 30.8811 177.5043 111 A 4.0210 8.3240 120.1211 54.9723 18.1458 179.2140 112 W 3.9899 8.4352 126.4779 60.6449 30.5639 178.4652 113 R 3.7440 8.1607 116.5328 59.2415 29.6805 178.3162 114 N 4.4493 8.2164 115.5455 55.4768 38.6115 176.2791 115 R 4.3066 7.5729 112.4392 55.5249 30.3085 174.8904 116 C 4.4932 7.3449 115.6322 58.4167 42.8187 174.3539 117 Q 3.2123 6.5593 119.9752 57.0886 28.6589 175.4647 118 N 4.1996 8.7027 121.0787 54.3565 36.1534 173.7757 119 R 4.5179 7.3206 115.2683 54.0985 33.2980 175.7621 120 D 4.5675 8.4125 119.0062 53.9588 40.0981 175.7190 121 V 4.5386 8.1138 118.2524 61.0294 32.5864 178.2510 122 R 4.0044 8.0926 122.6184 59.4305 29.7819 178.8604 123 Q 4.0047 8.1697 115.1662 59.2574 28.3939 178.5125 124 Y 3.9609 7.8892 115.7240 60.1484 38.3011 176.8080 125 V 4.3416 7.7666 110.5215 60.7689 32.6279 175.4855 126 Q 4.2122 7.4975 120.6117 57.2548 28.7056 176.9737 127 G 3.9513 8.9614 110.7545 45.9125 0.0000 174.3615 128 C 4.4415 8.0175 115.5032 56.5750 40.5154 173.9650 129 G 3.8951 8.0736 107.2561 46.6833 0.0000 174.2881 130 V 3.9966 7.8711 118.0949 61.0699 31.9758 175.8705 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 K 8.17 4.16 0.00 2.07 1.59 0.00 1.25 0.00 0.00 0.92 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 1.16 7.81 2 V 8.17 4.67 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 10.07 4.48 0.00 2.81 2.80 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 4 E 9.15 4.23 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 2.32 2.25 0.00 5 R 8.96 3.30 0.00 1.94 1.89 0.00 3.43 0.00 0.00 3.46 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 6 C 7.97 4.31 0.00 2.99 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 7 E 8.07 3.88 0.00 2.05 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 2.60 2.43 0.00 8 L 7.98 3.56 0.00 1.46 1.36 -0.29 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.87 3.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.93 3.93 0.00 1.89 1.98 0.00 3.13 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 11 T 7.79 3.83 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 1.21 0.00 0.00 12 L 7.94 3.79 0.00 1.72 1.54 0.76 0.57 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 13 K 8.03 3.88 0.00 1.95 1.95 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 14 R 7.98 3.99 0.00 2.06 1.96 0.00 3.21 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 15 L 7.47 4.37 0.00 1.64 1.57 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.81 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 17 M 7.85 4.05 0.00 1.44 2.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.27 0.00 18 D 8.03 4.53 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.36 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 20 Y 8.15 4.28 0.00 3.37 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 21 R 8.99 3.54 0.00 1.87 1.83 0.00 3.22 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 22 G 8.14 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 23 I 7.67 4.03 1.70 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.85 -0.38 0.00 0.00 24 S 8.29 4.67 0.00 4.11 4.03 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 25 L 8.60 4.25 0.00 1.89 1.80 1.03 1.23 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 26 A 8.15 4.15 1.52 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 0.00 0.00 27 N 8.07 4.45 0.00 2.77 2.80 0.00 0.00 6.96 7.68 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 28 W 7.91 4.37 0.00 3.57 3.04 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 29 M 8.57 4.05 0.00 2.08 2.31 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 2.67 2.89 0.00 30 C 8.04 3.11 0.00 2.58 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 31 L 8.08 4.01 0.00 1.90 1.86 0.85 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.98 3.83 0.00 1.71 1.59 0.38 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.02 2.78 0.00 1.50 1.61 0.00 0.69 0.00 0.00 0.85 0.00 0.00 2.59 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.18 0.36 7.81 34 W 7.68 4.08 0.00 3.32 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 35 E 8.55 4.34 0.00 1.89 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 0.00 2.55 2.38 0.00 36 S 8.03 4.48 0.00 4.08 4.02 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 37 G 8.39 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 0.00 0.00 0.00 38 Y 7.57 3.63 0.00 3.27 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 39 N 7.73 5.35 0.00 2.79 2.86 0.00 0.00 7.02 6.89 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 40 T 9.25 4.23 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 41 R 8.01 4.54 0.00 1.92 2.10 0.00 3.09 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 42 A 7.82 4.26 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 43 T 8.26 5.07 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 1.26 0.00 0.00 44 N 8.91 4.93 0.00 3.04 2.60 0.00 0.00 6.77 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 45 Y 8.76 4.66 0.00 3.00 2.84 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 46 N 8.40 4.82 0.00 2.59 2.57 0.00 0.00 6.63 7.91 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 47 A 8.18 3.72 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 48 G 8.05 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.59 4.75 0.00 2.74 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 50 R 8.05 4.10 0.00 2.05 2.17 0.00 3.13 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 51 S 7.26 4.94 0.00 4.14 4.02 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 52 T 8.86 5.11 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 53 D 9.18 5.41 0.00 2.67 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 54 Y 9.21 4.91 0.00 2.92 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 55 G 8.96 4.72 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 0.00 0.00 0.00 56 I 8.46 4.04 1.90 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.92 0.73 0.00 0.00 57 F 8.35 4.30 0.00 3.19 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 58 Q 7.81 3.68 0.00 2.54 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.72 0.00 59 I 7.95 4.25 2.10 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 1.25 0.91 1.08 0.00 0.00 60 N 9.14 5.42 0.00 3.08 3.02 0.00 0.00 6.97 7.46 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 61 S 9.17 4.54 0.00 4.06 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.79 3.78 0.00 1.56 1.29 0.00 2.67 0.00 0.00 2.86 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 63 Y 7.75 4.53 0.00 1.61 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 0.00 0.00 0.00 64 W 8.03 5.10 0.00 3.44 3.22 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 65 C 8.14 5.60 0.00 3.02 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 66 N 8.99 5.00 0.00 2.83 2.69 0.00 0.00 7.08 8.76 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 67 D 8.83 4.78 0.00 2.87 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 68 G 8.49 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 69 K 8.21 4.55 0.00 1.86 1.87 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.45 7.81 70 T 7.64 4.53 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 71 P 0.00 4.33 0.00 2.01 1.99 0.00 3.82 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 2.03 2.09 0.00 72 G 8.84 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 73 A 7.37 4.34 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.39 4.35 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 0.63 0.00 0.00 0.86 0.00 0.00 75 N 8.01 4.94 0.00 2.73 2.53 0.00 0.00 6.78 8.10 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 76 A 9.04 3.97 1.17 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 0.00 0.00 77 C 8.51 4.55 0.00 3.27 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 7.83 4.03 0.00 3.27 3.33 0.00 5.80 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.28 4.81 0.00 1.67 1.48 0.96 0.64 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 80 S 8.35 4.62 0.00 3.83 3.68 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 81 C 8.63 4.09 0.00 2.26 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.80 3.90 0.00 3.86 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 83 A 7.79 4.12 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 84 L 7.78 4.47 0.00 1.95 1.85 1.02 0.34 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 85 L 7.78 5.14 0.00 1.81 1.73 1.12 1.08 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 86 Q 7.83 4.42 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 87 D 8.58 4.43 0.00 2.63 2.66 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 88 N 8.06 4.58 0.00 2.70 2.75 0.00 0.00 6.94 7.94 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 89 I 8.50 4.32 1.92 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.05 1.13 0.00 0.00 90 A 8.40 3.94 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 91 D 8.12 4.25 0.00 2.74 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 92 A 7.96 4.00 1.52 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 0.00 0.00 93 V 8.19 3.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.95 0.00 0.00 94 A 8.05 3.82 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.02 4.16 0.00 3.08 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 96 A 7.93 3.64 0.17 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 0.00 0.00 97 K 7.49 3.81 0.00 1.59 1.36 0.00 1.28 0.00 0.00 0.80 0.00 0.00 2.39 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.93 7.81 98 R 7.63 4.07 0.00 1.98 2.14 0.00 3.29 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.99 0.00 99 V 7.53 2.61 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 -0.48 0.00 0.00 100 V 7.53 3.91 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.49 0.00 0.00 101 R 7.70 4.23 0.00 2.08 2.05 0.00 3.26 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.13 0.00 102 D 7.64 4.71 0.00 3.06 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 0.00 103 P 0.00 4.22 0.00 2.02 2.13 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 104 Q 8.21 4.04 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.76 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 105 G 7.75 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 0.00 106 I 7.83 3.65 1.04 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.03 -0.61 0.00 0.00 107 R 7.26 4.29 0.00 1.99 2.03 0.00 3.22 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.55 0.00 108 A 7.70 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.14 4.61 0.00 3.54 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 0.00 110 V 8.77 3.74 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.01 0.00 0.00 111 A 8.32 4.02 1.53 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 0.00 112 W 8.44 3.99 0.00 3.54 3.54 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 0.00 113 R 8.16 3.74 0.00 2.10 2.02 0.00 3.68 0.00 0.00 3.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.21 0.00 114 N 8.22 4.45 0.00 2.69 2.72 0.00 0.00 6.86 8.45 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 0.00 115 R 7.57 4.31 0.00 0.94 1.19 0.00 2.76 0.00 0.00 2.85 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.00 116 C 7.34 4.49 0.00 1.66 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 0.00 117 Q 6.56 3.21 0.00 0.93 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 118 N 8.70 4.20 0.00 2.81 2.82 0.00 0.00 6.88 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 0.00 119 R 7.32 4.52 0.00 1.75 1.77 0.00 3.05 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.34 0.00 120 D 8.41 4.57 0.00 2.63 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 0.00 121 V 8.11 4.54 2.43 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 0.87 0.00 0.00 1.05 0.00 0.00 122 R 8.09 4.00 0.00 1.96 2.02 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 123 Q 8.17 4.00 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.91 0.00 0.00 0.00 0.00 0.00 2.12 1.53 0.00 124 Y 7.89 3.96 0.00 3.21 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 0.00 125 V 7.77 4.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.05 0.00 0.00 126 Q 7.50 4.21 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 127 G 8.96 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 0.00 128 C 8.02 4.44 0.00 3.08 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 0.00 129 G 8.07 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 0.00 130 V 7.87 4.00 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 0.80 0.00 0.00 0.96 0.00 0.00