NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1948 8.1727 122.0551 56.3075 34.1082 174.0158 2 V 4.5571 8.2313 127.2923 60.7198 32.2651 174.5222 3 F 4.3030 10.0606 128.9162 57.5451 40.2064 174.8423 4 E 4.2693 8.7922 121.0173 55.6024 30.9261 176.9457 5 R 3.3227 9.0194 121.7818 60.7767 29.9936 179.4593 6 C 4.3310 8.0304 115.2416 59.6973 35.6203 175.6799 7 E 3.9059 8.1273 120.6747 59.2254 29.2538 178.4890 8 L 3.6879 8.1194 120.1297 57.8564 42.0561 178.4879 9 A 3.9423 7.8089 120.7293 55.5711 18.3468 179.9158 10 R 3.9003 8.0200 116.2403 59.6282 30.1523 179.5330 11 T 3.8984 7.8716 115.4573 66.6720 68.5396 176.8223 12 L 3.9094 8.2583 121.3507 57.3203 41.5676 179.5097 13 K 3.8990 7.9988 119.8185 59.5756 31.9858 178.9336 14 R 3.9603 7.8406 117.5771 59.0293 30.0093 177.4702 15 L 4.3508 7.4125 115.9131 54.0056 41.8235 176.6737 16 G 3.8342 7.8541 106.8124 47.1425 0.0000 175.1241 17 M 3.9218 7.7257 120.7283 56.1119 32.6400 175.7509 18 D 4.6713 7.9889 117.5712 56.3094 41.1321 175.6531 19 G 3.9547 9.4967 115.8251 45.4201 0.0000 171.2230 20 Y 4.2454 8.4773 122.1309 58.5616 38.9763 176.2750 21 R 3.5919 9.0668 126.8810 57.3090 27.7926 177.2269 22 G 3.7926 8.0469 103.0481 45.6525 0.0000 174.0416 23 I 4.0631 7.6304 122.0675 59.0217 37.9131 175.8729 24 S 4.6300 8.3015 120.4116 57.7234 63.8979 175.0354 25 L 4.2339 8.9689 123.2801 58.5168 41.7864 179.1777 26 A 4.1477 8.2232 120.1848 55.4262 18.2666 179.2575 27 N 4.4834 8.1080 114.5367 56.2697 38.6604 177.7502 28 W 4.2578 8.0670 119.9337 59.9482 29.1890 178.3768 29 M 4.1946 8.5359 118.9818 58.5588 31.3336 177.9389 30 C 3.1803 8.0980 118.6246 59.0138 44.8896 175.3840 31 L 3.9679 8.1095 121.6940 58.2164 41.6892 178.7485 32 A 4.0911 8.2801 120.7096 54.9657 18.3903 179.2742 33 K 2.8000 8.0573 118.0047 59.4475 31.9772 178.9977 34 W 4.2748 7.4472 116.8524 59.0998 29.0903 178.4220 35 E 4.3121 8.2674 118.5820 58.6988 29.5586 177.8040 36 S 4.5144 8.1129 109.8363 56.4846 64.6282 174.5045 37 G 3.4431 7.8989 108.7464 46.8969 0.0000 173.2111 38 Y 3.6244 7.7047 113.4192 58.6619 35.2907 168.5950 39 N 5.3371 7.5445 118.2167 51.8852 40.1812 175.6550 40 T 3.9529 9.0146 117.3611 63.9309 69.1535 175.8716 41 R 4.5138 8.1016 116.8128 55.5646 30.0713 176.1130 42 A 4.2894 7.7379 122.8276 52.8719 19.1838 177.1185 43 T 5.0266 8.4153 111.7750 59.9880 72.5178 173.1509 44 N 4.8714 8.7851 121.9533 52.4258 42.4875 172.3058 45 Y 4.7967 8.7519 128.0085 57.1262 40.8019 173.8259 46 N 4.6974 8.7800 124.9609 51.3678 38.6456 175.5621 47 A 3.6455 8.2744 127.8868 54.7342 18.9474 179.1495 48 G 3.7036 8.0540 104.3081 47.9468 0.0000 173.8402 49 D 4.7415 7.6192 115.3074 52.0138 40.1746 175.8363 50 R 3.9350 8.2060 116.9756 57.1992 28.1137 175.7203 51 S 4.9984 7.5982 111.5733 56.9174 66.7233 172.6719 52 T 5.0854 8.6568 115.7700 61.9647 72.7500 172.8540 53 D 5.4208 9.1018 125.6364 53.3816 43.0066 175.0581 54 Y 4.9504 9.3348 121.2134 57.4131 41.5642 177.2419 55 G 4.3944 9.0248 111.5789 46.0740 0.0000 173.5135 56 I 3.8122 8.1889 116.7977 62.8208 37.7405 176.8889 57 F 4.6966 7.9970 115.3423 56.3647 39.9012 175.3296 58 Q 3.5695 7.9410 119.0683 57.0437 26.4392 173.7833 59 V 4.3299 8.2201 118.5129 62.5107 33.7398 175.4085 60 N 5.4655 9.2596 126.8867 53.4565 39.8019 175.5884 61 S 4.8754 8.9727 120.4647 60.0621 63.2123 175.2896 62 R 3.7867 8.6279 122.0225 58.4743 30.4578 177.6532 63 Y 4.1519 7.7134 114.2906 57.5348 40.1803 176.6307 64 W 5.2660 8.1293 118.4313 57.2517 31.5410 173.8224 65 C 5.8060 8.0552 112.5845 53.3302 44.2808 172.2221 66 N 5.1920 9.0773 119.6898 52.0545 40.3461 174.7804 67 D 4.7169 8.6507 123.3675 52.2599 40.5616 177.8294 68 G 4.1193 8.4304 110.9001 46.0638 0.0000 174.8949 69 K 4.3801 8.0026 116.2065 56.6592 32.8927 175.9650 70 T 4.5621 7.6759 116.9372 61.6434 69.1782 173.0005 71 P 4.2662 0.0000 0.0000 63.6012 31.9572 175.9880 72 G 3.9071 8.5007 106.8795 46.3191 0.0000 173.2885 73 A 4.4423 7.6610 119.3317 51.0911 20.0805 177.7347 74 V 4.3128 8.4039 118.4313 61.3962 35.1885 174.9513 75 N 4.7814 8.4066 122.6075 51.5575 38.9816 174.3962 76 A 3.8479 9.2223 125.6148 54.7506 18.3329 178.9539 77 A 4.1108 7.8715 115.1996 52.8002 19.1633 177.4344 78 H 4.0273 7.5649 110.9737 57.1453 26.6544 174.7057 79 L 4.7311 7.8165 117.5909 52.9127 44.4138 175.4925 80 S 4.8093 8.1568 114.5005 57.5109 63.5858 175.8996 81 C 4.1444 8.5415 124.8344 59.6730 37.3276 176.3317 82 S 3.9352 7.6573 115.1245 61.3034 61.6905 175.9740 83 A 4.1260 7.8393 122.3740 54.4579 18.1034 177.9219 84 L 4.4965 7.5787 116.1684 54.9240 41.6878 177.6049 85 L 5.0603 7.7457 116.9217 54.5181 42.4401 176.6524 86 Q 4.3638 7.8309 118.0930 55.5080 29.4870 175.7789 87 D 4.4446 8.4541 118.6346 56.5388 41.2350 176.6251 88 N 4.6224 8.0307 118.0366 52.9221 38.9973 174.4656 89 I 4.2506 8.4407 119.3466 61.2020 37.9506 177.0586 90 A 3.9418 8.3323 125.2520 56.0381 18.1570 180.2645 91 D 4.3324 8.0854 116.5310 57.2638 40.9451 178.6705 92 A 4.1138 7.9799 121.0328 55.0536 18.4413 179.7402 93 V 3.3544 8.0734 116.7231 66.0203 31.7423 178.1384 94 A 3.8426 7.9616 120.3623 54.9647 18.1833 179.5314 95 A 3.9337 8.1943 119.0475 55.2960 18.5363 179.6486 96 A 4.0363 8.0847 119.4144 55.3483 18.1022 180.0329 97 K 3.8081 7.6240 116.0112 59.3636 32.3433 179.2899 98 R 4.0399 7.6788 118.6235 59.2583 29.8972 178.5292 99 V 2.0000 7.2501 117.9535 65.6577 31.1779 177.9792 100 V 3.8573 7.2690 107.9204 62.6121 31.5765 177.9305 101 R 4.1440 7.6463 117.6985 57.2579 30.5642 176.5388 102 D 4.7080 7.2852 119.5482 52.6656 41.7570 175.3325 103 P 4.2388 0.0000 0.0000 66.2516 31.1558 177.7536 104 Q 3.9974 8.1809 117.4283 56.6395 29.9168 177.1997 105 G 3.7512 8.0323 107.1384 46.0900 0.0000 176.0134 106 I 3.5210 7.7527 119.8409 63.4937 37.9953 178.1420 107 R 4.2224 7.2539 118.1931 58.1030 30.0297 177.4062 108 A 4.0179 7.5736 120.8833 54.2879 18.6327 177.5763 109 W 4.7346 8.0509 116.8015 55.3644 29.9470 177.5404 110 V 3.7441 8.7082 123.7100 65.9452 30.9062 177.6095 111 A 4.0625 8.3046 120.2413 54.7487 18.1115 179.2337 112 W 3.9844 8.3998 126.8396 60.7211 30.5867 178.4422 113 R 3.6852 8.1458 116.3573 59.2231 29.6340 178.4258 114 N 4.3950 7.9401 115.4495 55.4548 38.7441 176.8068 115 R 4.1973 7.6512 113.2881 55.9190 30.3573 175.3193 116 C 4.5432 7.8466 116.4794 58.2919 42.7171 174.3691 117 Q 3.1200 6.5768 118.7774 57.3717 28.5868 175.5062 118 N 4.1684 8.6471 120.7540 54.3663 36.1838 173.6088 119 R 4.5094 7.3587 115.3954 54.0638 33.3919 175.2413 120 D 4.5927 8.4611 118.4617 54.0021 40.3265 175.6843 121 V 4.6269 8.1650 118.9097 61.3196 32.5047 178.4011 122 R 4.0901 7.9899 121.2115 59.1857 29.4957 178.6876 123 Q 3.9857 8.0786 116.3740 59.4812 28.3657 178.0556 124 Y 4.3577 7.8915 117.6110 59.7528 38.0324 176.7514 125 V 4.4055 7.6173 111.1854 60.6330 32.7859 174.8905 126 Q 3.9374 8.0462 122.3736 57.2840 29.1198 176.4272 127 G 3.9621 8.9301 112.9430 46.0658 0.0000 174.4092 128 C 4.4099 7.9011 116.2508 56.9349 40.5727 174.2412 129 G 3.8816 8.2223 107.2682 46.4414 0.0000 174.1079 130 V 4.0120 7.8234 118.0775 61.1015 32.1143 175.7350 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 4.19 0.00 1.87 1.74 0.00 1.32 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.17 7.81 2 V 8.23 4.56 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 0.95 0.00 0.00 3 F 10.06 4.30 0.00 2.81 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 4 E 8.79 4.27 0.00 1.88 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 2.30 2.22 0.00 5 R 9.02 3.32 0.00 1.95 1.92 0.00 3.42 0.00 0.00 3.47 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 6 C 8.03 4.33 0.00 3.00 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 7 E 8.13 3.91 0.00 2.05 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 0.00 2.55 2.40 0.00 8 L 8.12 3.69 0.00 1.40 1.39 -0.07 0.58 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 9 A 7.81 3.94 1.39 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 0.00 0.00 10 R 8.02 3.90 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 11 T 7.87 3.90 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 12 L 8.26 3.91 0.00 1.58 1.57 0.95 0.34 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 13 K 8.00 3.90 0.00 1.96 1.94 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.84 3.96 0.00 1.99 2.06 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.41 4.35 0.00 1.66 1.54 0.87 0.93 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 16 G 7.85 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 17 M 7.73 3.92 0.00 1.19 1.91 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.18 0.00 18 D 7.99 4.67 0.00 2.68 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 19 G 9.50 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 8.48 4.25 0.00 3.32 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 21 R 9.07 3.59 0.00 1.88 1.85 0.00 3.30 0.00 0.00 3.06 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.29 0.00 22 G 8.05 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 0.00 0.00 0.00 23 I 7.63 4.06 1.78 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.65 -0.32 0.00 0.00 24 S 8.30 4.63 0.00 4.07 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 25 L 8.97 4.23 0.00 2.08 1.81 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.22 4.15 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 27 N 8.11 4.48 0.00 2.85 2.74 0.00 0.00 6.96 7.25 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 28 W 8.07 4.26 0.00 3.55 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 29 M 8.54 4.19 0.00 2.19 2.39 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.92 0.00 30 C 8.10 3.18 0.00 2.57 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 31 L 8.11 3.97 0.00 1.78 1.88 0.57 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.28 4.09 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 33 K 8.06 2.80 0.00 1.56 1.72 0.00 0.68 0.00 0.00 1.12 0.00 0.00 2.65 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.00 0.21 7.81 34 W 7.45 4.27 0.00 3.27 3.24 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 0.00 35 E 8.27 4.31 0.00 2.01 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 2.55 2.34 0.00 36 S 8.11 4.51 0.00 4.02 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 37 G 7.90 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.70 3.62 0.00 3.20 2.94 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 0.00 0.00 0.00 39 N 7.54 5.34 0.00 2.91 2.81 0.00 0.00 7.01 7.10 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 40 T 9.01 3.95 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 1.46 0.00 0.00 41 R 8.10 4.51 0.00 2.00 2.10 0.00 3.09 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 42 A 7.74 4.29 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 43 T 8.42 5.03 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 1.33 0.00 0.00 44 N 8.79 4.87 0.00 3.03 2.66 0.00 0.00 6.81 6.90 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 45 Y 8.75 4.80 0.00 3.06 2.83 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 46 N 8.78 4.70 0.00 2.64 2.62 0.00 0.00 6.52 7.03 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 47 A 8.27 3.65 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 7.62 4.74 0.00 2.71 2.70 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 50 R 8.21 3.94 0.00 2.03 2.20 0.00 3.10 0.00 0.00 3.18 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 51 S 7.60 5.00 0.00 3.81 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 52 T 8.66 5.09 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 0.65 0.00 0.00 53 D 9.10 5.42 0.00 2.70 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 9.33 4.95 0.00 3.02 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 55 G 9.02 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 0.00 0.00 0.00 56 I 8.19 3.81 1.65 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 0.78 1.68 0.16 0.00 0.00 57 F 8.00 4.70 0.00 3.17 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 58 Q 7.94 3.57 0.00 2.50 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.74 0.00 59 V 8.22 4.33 2.37 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 1.28 0.00 0.00 1.25 0.00 0.00 60 N 9.26 5.47 0.00 3.13 3.02 0.00 0.00 6.97 7.63 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 61 S 8.97 4.88 0.00 4.07 4.38 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 62 R 8.63 3.79 0.00 1.58 1.23 0.00 2.54 0.00 0.00 2.86 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 63 Y 7.71 4.15 0.00 1.50 1.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 5.27 0.00 3.45 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 65 C 8.06 5.81 0.00 3.05 3.21 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 66 N 9.08 5.19 0.00 2.83 2.69 0.00 0.00 6.99 9.19 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 67 D 8.65 4.72 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.43 4.12 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 0.00 0.00 0.00 69 K 8.00 4.38 0.00 1.92 1.93 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 70 T 7.68 4.56 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 1.16 0.00 0.00 71 P 0.00 4.27 0.00 2.01 1.98 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 72 G 8.50 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.66 4.44 1.19 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 0.00 0.00 0.00 74 V 8.40 4.31 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 0.68 0.00 0.00 0.85 0.00 0.00 75 N 8.41 4.78 0.00 2.71 2.52 0.00 0.00 6.80 8.15 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 76 A 9.22 3.85 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 A 7.87 4.11 1.49 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 0.00 0.00 0.00 78 H 7.56 4.03 0.00 3.21 3.48 0.00 5.82 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.82 4.73 0.00 1.73 1.58 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.16 4.81 0.00 3.83 3.69 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 81 C 8.54 4.14 0.00 2.28 1.42 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 3.94 0.00 3.80 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 83 A 7.84 4.13 1.39 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 0.00 0.00 84 L 7.58 4.50 0.00 1.96 1.80 1.06 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.75 5.06 0.00 1.80 1.71 1.11 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.83 4.36 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 87 D 8.45 4.44 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 88 N 8.03 4.62 0.00 2.70 2.76 0.00 0.00 6.98 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 8.44 4.25 1.79 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.45 0.96 0.00 0.00 90 A 8.33 3.94 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 91 D 8.09 4.33 0.00 2.72 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 92 A 7.98 4.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.07 3.35 2.20 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 0.71 0.00 0.00 0.86 0.00 0.00 94 A 7.96 3.84 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 95 A 8.19 3.93 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.62 3.81 0.00 1.62 1.46 0.00 1.27 0.00 0.00 0.86 0.00 0.00 2.15 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.30 0.85 7.81 98 R 7.68 4.04 0.00 1.99 2.11 0.00 3.29 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 99 V 7.25 2.00 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 -0.24 0.00 0.00 -0.42 0.00 0.00 100 V 7.27 3.86 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 0.99 0.00 0.00 1.38 0.00 0.00 101 R 7.65 4.14 0.00 2.07 2.04 0.00 3.25 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.08 0.00 102 D 7.29 4.71 0.00 2.93 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 4.24 0.00 2.15 2.20 0.00 3.78 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 1.98 2.01 0.00 104 Q 8.18 4.00 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.88 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 105 G 8.03 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 0.00 106 I 7.75 3.52 0.99 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.26 -0.71 0.00 0.00 107 R 7.25 4.22 0.00 2.00 2.05 0.00 3.25 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.62 0.00 108 A 7.57 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.05 4.73 0.00 3.50 3.25 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 0.00 110 V 8.71 3.74 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 1.09 0.00 0.00 0.99 0.00 0.00 111 A 8.30 4.06 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 3.98 0.00 3.51 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.69 0.00 2.06 1.97 0.00 3.55 0.00 0.00 3.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.03 0.00 114 N 7.94 4.40 0.00 2.68 2.71 0.00 0.00 6.90 7.69 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 0.00 115 R 7.65 4.20 0.00 1.00 1.10 0.00 2.76 0.00 0.00 2.85 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 0.00 116 C 7.85 4.54 0.00 1.73 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 0.00 117 Q 6.58 3.12 0.00 0.93 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.89 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 118 N 8.65 4.17 0.00 2.79 2.81 0.00 0.00 6.86 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 7.36 4.51 0.00 1.80 1.81 0.00 3.23 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 120 D 8.46 4.59 0.00 2.64 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 0.00 121 V 8.17 4.63 2.41 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 0.85 0.00 0.00 1.06 0.00 0.00 122 R 7.99 4.09 0.00 1.92 2.02 0.00 3.16 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 123 Q 8.08 3.99 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.12 0.00 0.00 0.00 0.00 0.00 2.28 1.59 0.00 124 Y 7.89 4.36 0.00 3.21 3.18 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 0.00 0.00 0.00 0.00 125 V 7.62 4.41 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 0.85 0.00 0.00 1.05 0.00 0.00 126 Q 8.05 3.94 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.87 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 127 G 8.93 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 7.90 4.41 0.00 2.95 3.14 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 0.00 129 G 8.22 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 0.00 130 V 7.82 4.01 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 0.75 0.00 0.00 0.96 0.00 0.00