NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4124 8.1927 116.7962 57.9421 64.6323 174.9524 2 N 4.1455 7.8760 119.5500 55.7951 39.2849 174.1367 3 I 3.7950 8.4944 118.8156 63.9831 39.6750 176.4066 4 I 4.1183 6.9763 120.1637 61.7689 38.2738 176.7372 5 K 3.6189 8.7518 120.2072 58.8131 31.4249 178.2136 6 Q 4.1872 8.8714 121.5340 58.5654 28.9011 177.9604 7 L 3.8994 7.1259 117.5363 57.0096 41.6458 178.6962 8 E 4.2174 7.9613 118.0286 58.6720 29.8858 178.1263 9 Q 4.1848 8.2341 118.4490 58.4943 28.7065 176.6950 10 E 4.2972 8.6499 118.3509 56.0367 29.9245 177.2737 11 Q 4.5194 7.7833 118.0972 57.0062 29.9169 173.4050 12 M 4.5922 7.9440 114.6486 52.4850 34.9203 175.5066 13 K 4.2658 8.2418 121.4576 56.1743 33.1520 176.6025 14 Q 4.7625 8.6046 122.9855 55.9076 28.5542 176.4320 15 D 4.5559 7.7983 117.9607 53.8701 40.3270 176.9689 16 V 3.4740 7.0281 114.4042 60.9877 31.5249 174.4995 17 P 4.5084 0.0000 0.0000 61.3668 32.5994 175.5746 18 S 4.3168 8.3387 112.6236 58.9616 62.8722 173.4607 19 F 5.1741 8.8439 121.1233 58.3041 42.0477 173.4146 20 R 4.9948 7.9754 128.7310 56.3310 31.6131 174.3435 21 P 4.6838 0.0000 0.0000 63.2610 30.6976 177.0541 22 G 3.9726 8.0029 107.6289 45.8698 0.0000 173.2735 23 D 4.6132 7.8338 119.4038 55.1925 41.5068 176.8604 24 T 4.0908 8.8747 115.7415 65.4587 69.4990 175.2999 25 V 3.3532 7.5830 115.3022 60.0472 31.1614 172.6353 26 E 4.9530 7.8622 120.4454 53.4458 30.9637 173.5441 27 V 3.9264 8.2914 124.9701 62.2914 33.2328 174.4259 28 K 4.8958 8.2801 126.6567 54.9877 34.2642 175.8621 29 V 5.0401 8.7171 118.6285 58.0994 35.1100 175.9080 30 W 5.0580 8.5489 122.7141 57.2331 29.4228 176.2474 31 V 4.3761 8.9574 121.4933 61.0607 33.4606 178.4792 32 V 4.1616 8.1584 119.8152 60.9529 32.1929 172.3674 33 E 3.5542 7.8486 121.4498 57.5117 29.8773 175.5937 34 G 3.8250 8.5524 102.2527 47.4395 0.0000 174.8916 35 S 4.7309 7.5798 115.6605 57.1512 64.2588 172.9405 36 K 4.6943 8.1381 119.4354 55.1002 36.1175 177.5263 37 K 4.4208 8.2879 116.3382 56.7397 33.5161 175.8518 38 R 3.9468 7.6909 117.8318 56.2541 31.4806 175.0598 39 L 5.1583 8.5407 122.3292 53.3468 43.4590 175.9669 40 Q 4.4814 9.5615 124.3645 55.2235 30.2532 176.0204 41 A 4.8914 8.5211 125.3253 51.5160 21.1559 177.3811 42 F 4.3515 8.7878 120.9378 57.0335 41.3143 174.3510 43 E 4.6749 8.1099 130.3795 55.6907 27.9811 176.3715 44 G 4.2350 7.7740 106.2750 45.8314 0.0000 172.8380 45 V 4.3414 8.0471 119.4637 60.9120 34.4288 175.6698 46 V 3.9699 7.8006 127.7094 63.7521 31.1991 175.6469 47 I 4.3084 8.6547 120.0608 60.6283 39.5684 174.5956 48 A 4.9476 7.0938 121.8235 50.6729 21.7959 174.3124 49 I 4.6761 7.8801 115.1402 59.9421 42.1328 175.9473 50 R 4.2661 8.9259 121.7426 56.0609 28.6663 177.4258 51 N 4.2725 10.0898 107.5776 53.5579 34.9812 174.7564 52 R 4.6792 7.5392 111.9178 55.1447 32.5606 177.3706 53 G 3.6322 8.1279 108.7445 46.0338 0.0000 174.6359 54 L 4.0344 8.8254 121.7792 58.4454 42.0066 177.7429 55 H 4.4806 7.6509 115.3583 55.8038 29.0371 174.7754 56 S 4.6839 8.3066 118.9129 57.2717 66.8529 172.8792 57 A 5.8243 8.2629 123.4082 50.0493 20.7598 174.6042 58 F 5.0075 8.4043 113.8340 58.4870 41.7630 172.5794 59 T 3.9376 7.9853 128.4180 62.8491 66.5097 171.4541 60 V 5.1702 7.5702 118.7279 58.6575 35.5466 175.2601 61 R 4.7617 8.6952 124.4960 55.8971 30.8781 176.1630 62 K 4.0297 8.6240 122.6320 57.7580 34.4238 174.7356 63 I 3.3387 7.8648 121.5407 62.0559 34.3638 173.7569 64 S 4.9001 7.9523 129.4966 57.8531 61.5023 177.5316 65 N 4.5793 8.7981 125.6754 53.8106 36.7796 175.6413 66 G 3.9837 8.4906 107.1667 44.9700 0.0000 173.4520 67 E 4.6514 7.7696 119.4871 54.0308 31.8589 175.3861 68 G 3.9845 8.5589 111.0330 46.3893 0.0000 173.1666 69 V 4.8182 8.3536 115.5390 59.4273 36.2301 174.3447 70 E 5.3132 8.6563 121.3275 53.5601 33.5352 174.8430 71 R 3.9971 8.1891 123.3554 54.4433 32.9596 174.6109 72 V 4.5876 7.9470 127.6119 61.2118 30.2906 174.1642 73 F 4.2499 7.7007 123.4722 56.4298 40.5825 175.6504 74 Q 5.1451 8.3314 122.8518 60.9357 27.8457 181.1636 75 T 2.4832 5.8090 110.5654 65.1712 71.4410 173.9546 76 H 4.6134 7.5009 126.9177 56.3451 28.7016 175.8217 77 S 4.7285 7.4478 113.0298 55.6163 65.2273 172.1710 78 P 4.2579 0.0000 0.0000 66.0004 31.4479 178.8348 79 V 3.8538 8.0622 110.8217 64.2823 31.6945 178.8840 80 V 3.4100 7.8103 119.2654 62.7551 32.7032 178.5107 81 D 3.6732 7.2271 117.5690 54.9363 41.8648 176.8608 82 S 4.4220 8.2600 110.4032 58.0829 65.0599 172.4025 83 I 4.2365 7.7661 120.3796 60.4703 39.2192 174.5904 84 S 4.6065 8.3672 127.9916 58.3905 62.5717 173.1847 85 V 4.5817 8.3422 112.1853 60.5908 36.1555 178.5464 86 K 3.6880 7.9540 117.5955 57.1606 31.9968 177.6133 87 R 4.6181 8.8558 125.5884 55.0169 33.0066 173.3113 88 R 4.9078 8.4324 120.5085 54.7989 31.8500 175.5809 89 G 4.1715 7.8987 104.1166 44.5698 0.0000 170.9921 90 A 3.9695 9.2622 124.0038 53.7601 18.4340 176.7539 91 V 3.6265 8.8883 117.4277 59.4926 31.8416 176.4422 92 R 3.7703 9.2584 122.8574 57.4664 28.7560 175.0926 93 K 4.1553 7.5849 112.0909 55.7754 34.8277 173.9682 94 A 4.2251 8.7614 128.2990 53.3716 19.2109 177.2272 95 K 4.3836 7.4930 113.6723 54.5028 33.9396 176.8672 96 L 4.5904 8.9450 131.1075 54.4624 40.8055 178.6962 97 Y 4.4634 7.8152 119.7763 61.1518 38.8041 178.3436 98 Y 4.2945 8.4905 116.8537 60.1346 37.7880 177.3428 99 L 3.7508 5.8949 116.8153 55.5975 42.7882 177.6487 100 R 4.4629 7.5745 124.5751 55.1511 28.8533 177.8705 101 E 4.0148 8.8247 117.6228 56.2941 28.4986 175.7764 102 R 4.4080 8.0386 121.0383 57.6093 35.7078 176.7830 103 T 3.4283 7.8299 113.6974 61.9342 67.5998 171.1068 104 G 4.1440 8.2015 110.9561 46.5306 0.0000 175.0688 105 K 3.7595 8.6579 121.3306 57.3953 31.0983 177.5051 106 A 4.2161 8.7863 121.5577 54.5801 18.9859 178.9758 107 A 4.0729 7.7204 115.9291 53.5236 18.3685 177.2977 108 R 3.9352 7.3262 115.0975 56.5866 29.0523 175.1327 109 I 4.2951 7.9065 116.0351 59.0411 38.6938 175.9165 110 K 4.0253 8.8793 126.8407 56.6957 32.9303 176.7890 111 E 4.2535 8.6657 121.2831 56.7384 30.7166 175.9725 112 R 3.9764 8.8023 120.3324 53.2835 30.5298 172.1281 113 L 3.5448 7.9777 131.1509 54.7185 42.6399 174.4917 114 N 4.6087 8.5660 121.9578 53.4972 39.4008 174.4029 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 S 8.19 4.41 0.00 3.91 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 2 N 7.88 4.15 0.00 2.74 2.79 0.00 0.00 7.01 7.06 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 3 I 8.49 3.79 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 1.41 1.46 0.91 0.00 0.00 4 I 6.98 4.12 1.88 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 1.30 0.69 0.93 0.00 0.00 5 K 8.75 3.62 0.00 2.25 1.95 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.36 7.81 6 Q 8.87 4.19 0.00 1.99 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 7 L 7.13 3.90 0.00 1.67 1.72 0.99 0.93 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 8 E 7.96 4.22 0.00 1.99 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 2.27 2.44 0.00 9 Q 8.23 4.18 0.00 2.23 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.11 0.00 0.00 0.00 0.00 0.00 2.54 2.31 0.00 10 E 8.65 4.30 0.00 2.04 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 0.00 2.43 2.23 0.00 11 Q 7.78 4.52 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.73 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 12 M 7.94 4.59 0.00 1.71 1.78 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.11 0.00 13 K 8.24 4.27 0.00 2.15 1.94 0.00 1.48 0.00 0.00 2.02 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.48 7.81 14 Q 8.60 4.76 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.97 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 15 D 7.80 4.56 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 16 V 7.03 3.47 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 0.68 0.00 0.00 0.99 0.00 0.00 17 P 0.00 4.51 0.00 2.16 2.05 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.03 0.00 18 S 8.34 4.32 0.00 3.86 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 19 F 8.84 5.17 0.00 2.80 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 20 R 7.98 4.99 0.00 1.99 2.26 0.00 3.22 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 0.00 21 P 0.00 4.68 0.00 2.19 2.09 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 22 G 8.00 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 23 D 7.83 4.61 0.00 2.47 2.53 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 24 T 8.87 4.09 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 1.32 0.00 0.00 25 V 7.58 3.35 2.33 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 0.56 0.00 0.00 0.93 0.00 0.00 26 E 7.86 4.95 0.00 2.21 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 2.30 2.18 0.00 27 V 8.29 3.93 1.64 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 0.03 0.00 0.00 0.76 0.00 0.00 28 K 8.28 4.90 0.00 1.48 1.66 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.49 7.81 29 V 8.72 5.04 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 nan 0.00 0.00 1.05 0.00 0.00 30 W 8.55 5.06 0.00 3.38 2.95 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 31 V 8.96 4.38 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 1.01 0.00 0.00 1.05 0.00 0.00 32 V 8.16 4.16 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 0.88 0.00 0.00 0.89 0.00 0.00 33 E 7.85 3.55 0.00 2.04 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 2.27 2.30 0.00 34 G 8.55 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 35 S 7.58 4.73 0.00 3.80 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 4.69 0.00 1.76 1.68 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.50 7.81 37 K 8.29 4.42 0.00 1.62 1.65 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.41 7.81 38 R 7.69 3.95 0.00 1.85 1.98 0.00 3.12 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 39 L 8.54 5.16 0.00 1.57 1.64 1.28 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 9.56 4.48 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 41 A 8.52 4.89 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 42 F 8.79 4.35 0.00 3.37 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 43 E 8.11 4.67 0.00 1.97 1.92 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 2.48 2.25 0.00 44 G 7.77 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 0.00 0.00 0.00 0.00 45 V 8.05 4.34 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 0.93 0.00 0.00 0.93 0.00 0.00 46 V 7.80 3.97 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 0.54 0.00 0.00 0.23 0.00 0.00 47 I 8.65 4.31 2.10 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 1.44 0.91 0.95 0.00 0.00 48 A 7.09 4.95 1.45 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 49 I 7.88 4.68 1.91 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 1.62 0.80 0.96 0.00 0.00 50 R 8.93 4.27 0.00 2.05 1.63 0.00 3.24 0.00 0.00 3.40 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.80 0.00 51 N 10.09 4.27 0.00 2.96 3.02 0.00 0.00 6.58 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 52 R 7.54 4.68 0.00 2.02 1.92 0.00 3.57 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 53 G 8.13 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 54 L 8.83 4.03 0.00 1.67 1.53 0.95 0.93 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 55 H 7.65 4.48 0.00 3.31 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.31 4.68 0.00 3.69 3.71 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 57 A 8.26 5.82 1.24 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 0.00 0.00 58 F 8.40 5.01 0.00 3.33 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 59 T 7.99 3.94 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 1.21 0.00 0.00 60 V 7.57 5.17 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 1.31 0.00 0.00 1.11 0.00 0.00 61 R 8.70 4.76 0.00 1.73 1.84 0.00 3.50 0.00 0.00 3.34 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.38 0.00 62 K 8.62 4.03 0.00 1.86 1.76 0.00 0.98 0.00 0.00 1.40 0.00 0.00 2.52 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.19 1.44 7.81 63 I 7.86 3.34 1.86 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 1.40 0.52 0.90 0.00 0.00 64 S 7.95 4.90 0.00 3.79 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 65 N 8.80 4.58 0.00 2.68 2.82 0.00 0.00 6.99 7.65 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 66 G 8.49 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 0.00 0.00 0.00 67 E 7.77 4.65 0.00 1.97 1.83 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 2.28 2.20 0.00 68 G 8.56 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 0.00 0.00 0.00 69 V 8.35 4.82 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 1.00 0.00 0.00 1.04 0.00 0.00 70 E 8.66 5.31 0.00 1.73 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 2.16 2.10 0.00 71 R 8.19 4.00 0.00 0.96 0.66 0.00 2.67 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 72 V 7.95 4.59 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 0.81 0.00 0.00 0.81 0.00 0.00 73 F 7.70 4.25 0.00 2.35 2.29 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 74 Q 8.33 5.15 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.11 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 75 T 5.81 2.48 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 1.15 0.00 0.00 76 H 7.50 4.61 0.00 3.23 3.24 0.00 5.64 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.45 4.73 0.00 3.96 3.60 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 78 P 0.00 4.26 0.00 2.37 2.31 0.00 3.71 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 2.19 2.19 0.00 79 V 8.06 3.85 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 0.88 0.00 0.00 0.95 0.00 0.00 80 V 7.81 3.41 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 0.57 0.00 0.00 0.58 0.00 0.00 81 D 7.23 3.67 0.00 1.58 1.54 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 82 S 8.26 4.42 0.00 3.87 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 83 I 7.77 4.24 1.84 0.00 0.00 0.78 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 1.11 0.85 0.00 0.00 84 S 8.37 4.61 0.00 3.96 3.94 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 85 V 8.34 4.58 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 0.79 0.00 0.00 0.97 0.00 0.00 86 K 7.95 3.69 0.00 1.93 1.25 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.81 1.40 7.81 87 R 8.86 4.62 0.00 1.78 1.71 0.00 3.14 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 88 R 8.43 4.91 0.00 1.98 1.94 0.00 3.06 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 89 G 7.90 4.17 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 0.00 90 A 9.26 3.97 1.24 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 0.00 0.00 91 V 8.89 3.63 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 0.67 0.00 0.00 0.93 0.00 0.00 92 R 9.26 3.77 0.00 1.93 2.02 0.00 3.26 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 93 K 7.58 4.16 0.00 1.72 1.69 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.26 1.32 7.81 94 A 8.76 4.23 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 95 K 7.49 4.38 0.00 1.27 0.74 0.00 1.52 0.00 0.00 1.56 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.71 0.89 7.81 96 L 8.94 4.59 0.00 1.82 1.47 1.05 1.01 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 97 Y 7.82 4.46 0.00 3.04 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 98 Y 8.49 4.29 0.00 3.14 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 99 L 5.89 3.75 0.00 0.83 1.43 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.57 4.46 0.00 2.04 1.07 0.00 3.34 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 101 E 8.82 4.01 0.00 2.09 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 0.00 2.30 2.44 0.00 102 R 8.04 4.41 0.00 1.77 1.93 0.00 3.51 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 103 T 7.83 3.43 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 0.00 104 G 8.20 4.14 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 0.00 105 K 8.66 3.76 0.00 1.93 1.98 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.37 7.81 106 A 8.79 4.22 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 0.00 107 A 7.72 4.07 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 0.00 108 R 7.33 3.94 0.00 1.93 1.96 0.00 3.16 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 109 I 7.91 4.30 1.88 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 1.32 0.44 0.94 0.00 0.00 110 K 8.88 4.03 0.00 1.79 1.81 0.00 1.57 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.54 7.81 111 E 8.67 4.25 0.00 2.08 2.12 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 2.36 2.37 0.00 112 R 8.80 3.98 0.00 1.83 1.82 0.00 3.42 0.00 0.00 3.15 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 113 L 7.98 3.54 0.00 1.81 1.84 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.57 4.61 0.00 2.69 2.63 0.00 0.00 7.02 7.56 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