NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6383 8.4249 119.1958 53.1276 40.9398 174.6242 4 Q 3.8555 7.9236 116.2771 56.4399 29.8952 175.2419 5 Y 5.2667 7.6990 119.6723 58.5715 41.0344 174.2065 6 Y 4.9759 8.6571 122.5769 58.4438 42.5043 173.8598 7 G 3.9527 7.3642 110.7348 45.1225 0.0000 172.3810 8 T 4.0089 7.9441 115.5316 58.0259 69.5191 170.7269 9 G 3.8374 8.8371 122.2026 44.3113 0.0000 172.7402 10 R 5.5352 8.2583 123.0312 54.7710 34.1535 175.1260 11 R 4.3422 8.4569 122.2976 56.0412 33.3102 174.7147 12 K 3.8144 9.6429 126.3350 57.7218 29.4413 174.5538 13 S 3.7360 7.8307 103.4957 59.6922 62.0526 171.9431 14 S 5.4934 7.9706 117.1435 57.3153 64.8887 173.8330 15 A 4.4997 8.8777 128.4266 51.1850 19.0999 175.7988 16 A 4.8764 8.2259 123.3215 51.1887 22.0178 176.9458 17 R 4.2557 7.9088 120.5392 55.7402 32.3791 174.1490 18 V 4.7427 7.5373 119.0066 58.1454 36.2786 174.9720 19 F 5.1663 7.9965 119.3148 56.2303 43.1154 173.9654 20 I 4.3680 8.7100 125.4835 60.6770 38.2873 174.9511 21 K 4.5249 9.1409 128.7507 53.4763 36.0410 173.4321 22 P 4.0915 0.0000 0.0000 63.6502 31.0334 174.6807 23 G 4.1014 8.6090 112.3319 45.2185 0.0000 171.5786 24 N 4.4967 7.6885 120.1244 51.6928 41.1475 175.2406 25 G 3.4511 8.7180 112.5178 45.1807 0.0000 173.2834 26 K 4.0595 7.9425 121.3206 57.7902 34.1583 176.2284 27 I 4.3487 8.0516 119.6181 60.5115 40.7191 173.2267 28 V 4.6338 8.3769 130.1675 61.5719 34.4220 174.9101 29 I 4.2350 8.7346 126.2251 59.9542 39.4729 173.4033 30 N 3.9225 9.8296 126.4925 54.3382 35.9639 175.5518 31 Q 3.9315 8.3173 120.5152 56.8113 28.6233 174.8145 32 R 4.2824 8.3586 116.6497 55.8691 31.1482 175.2084 33 S 4.8752 8.0591 114.6543 56.7835 66.8541 173.6231 34 L 3.6386 8.4065 121.1933 60.3849 41.4430 177.6913 35 E 5.0750 7.9514 119.1919 57.4427 29.8617 179.0338 36 Q 3.9599 7.7003 118.4318 59.1788 29.1123 177.1824 37 Y 4.3069 7.8946 119.1731 58.9671 39.4674 175.4263 38 F 5.1806 7.7551 119.8046 55.4382 40.1131 174.2712 39 G 4.8962 8.5071 115.7481 46.3887 0.0000 170.4736 40 R 3.8504 8.0841 121.1685 57.4421 28.9273 175.5915 41 E 4.5570 7.7238 126.9633 55.7603 31.2192 177.1868 42 T 4.2271 8.4170 117.8987 65.9837 69.8104 176.1669 43 A 3.8448 7.5457 121.8743 53.7753 18.7500 178.5831 44 R 4.3106 7.8193 116.1603 59.1199 30.4092 178.7812 45 M 4.1609 7.9797 112.6617 57.2103 31.0887 177.4627 46 V 4.5325 7.3397 119.6875 65.2398 32.1062 178.3471 47 V 3.7615 7.6764 113.7010 63.9620 31.7749 177.1574 48 R 4.2609 7.8518 118.0925 56.9091 30.2896 177.9108 49 Q 3.9633 8.5201 117.9059 59.3601 28.7704 176.4930 50 P 3.6952 0.0000 0.0000 65.6044 31.1294 178.4353 51 L 3.9687 7.7069 118.4137 57.6605 41.5559 178.7016 52 E 4.2236 8.1259 116.5666 58.3112 29.4414 178.1217 53 L 4.6817 7.3142 117.2991 54.8051 43.6738 177.8518 54 V 4.2962 7.3854 109.1070 59.0220 32.3234 171.6691 55 D 4.5100 8.5635 128.0533 53.9304 41.7635 172.7147 56 M 4.3300 8.0583 122.3321 55.6072 32.8797 175.8859 57 V 3.5081 9.0669 118.2685 63.6382 30.6602 173.0999 58 E 5.4232 7.5568 112.9324 56.0430 31.1020 176.4480 59 K 4.8091 8.1590 117.7309 57.1649 37.7227 176.6244 60 L 5.0656 8.7528 122.0447 54.4415 44.1488 176.8641 61 D 5.3427 9.7286 120.6767 51.6989 44.3351 174.7250 62 L 5.9065 8.2099 121.7095 53.2438 44.6427 174.8304 63 Y 5.0154 8.7682 122.5030 56.2212 39.9882 174.2706 64 I 3.9458 8.6368 128.8064 60.8783 38.2576 176.3569 65 T 5.2032 8.3792 121.7036 60.8511 68.4869 173.0990 66 V 4.7491 7.5078 121.1662 60.5149 34.1599 177.0497 67 K 4.5014 9.5683 121.4144 56.4079 37.5209 171.5261 68 G 4.1915 8.9578 118.8479 45.4346 0.0000 171.9506 69 G 3.9926 7.7180 109.7055 44.9633 0.0000 172.7872 70 G 4.2479 8.4490 105.8515 42.6246 0.0000 172.4069 71 I 3.6960 8.4853 118.5996 65.5998 36.9161 178.3439 72 S 4.1594 8.0562 115.0134 61.6169 62.9406 176.9320 73 G 3.6214 7.9553 108.9994 47.7168 0.0000 175.3280 74 Q 4.0698 8.9102 120.9985 58.8752 28.7001 178.1997 75 A 4.3636 8.1097 121.5757 55.7985 18.3066 179.6249 76 G 3.5725 8.2425 102.8232 48.0200 0.0000 175.5509 77 A 4.0269 8.1013 122.7167 54.9909 18.4640 179.8244 78 I 3.5484 8.5529 119.1752 64.5803 36.9692 178.7171 79 R 3.8213 8.9085 120.4777 59.2635 29.6749 177.9883 80 H 4.3840 7.8956 118.5121 58.9196 29.9444 177.3525 81 G 3.4120 8.0462 107.5833 47.8402 0.0000 175.1136 82 I 3.5357 7.7021 121.8761 64.9604 36.6879 178.2347 83 T 3.9567 7.5040 113.4144 65.0053 66.9714 175.6533 84 R 4.1887 7.3344 116.6573 56.6683 30.1880 176.4117 85 A 5.1299 7.9503 121.4271 53.0837 20.9135 178.7265 86 L 4.0413 7.9812 116.6166 57.9671 41.0371 179.1842 87 M 3.9265 7.6031 118.0583 58.8907 31.8547 177.9450 88 E 4.8723 7.8130 116.7006 58.2437 30.2703 177.5985 89 Y 4.3130 7.8254 119.1436 58.7706 39.1240 174.9805 90 D 4.4045 7.5050 115.1428 52.3431 44.6272 176.2707 91 E 4.1632 8.1837 129.5440 59.0263 28.9735 179.2473 92 S 4.1743 8.3270 114.6372 61.5735 62.7566 176.5685 93 L 4.0327 7.8683 121.6746 57.9202 40.8391 179.3794 94 R 3.9441 8.0305 117.9119 59.5208 30.0667 178.5814 95 S 4.2711 7.6751 111.9441 61.8177 62.2743 176.3122 96 E 4.0654 8.0896 120.0657 58.9265 29.4191 178.7402 97 L 4.2867 8.0138 119.0424 58.1899 41.5730 179.9517 98 R 3.9905 9.1400 116.8778 58.3120 30.0627 178.0622 99 K 4.2486 7.3179 116.4067 56.6541 32.4833 177.0061 100 A 4.3292 7.2011 119.6465 51.1370 20.7355 176.8007 101 G 3.7979 7.8086 105.5677 48.6715 0.0000 173.0444 102 F 5.1491 7.9967 116.4503 59.4472 41.8422 178.1446 103 V 3.8159 8.1355 111.9737 64.6688 31.5411 177.3319 104 T 3.9452 7.8653 114.2822 63.8562 68.7501 173.5188 105 R 4.3469 8.1272 122.4832 54.4507 31.2615 175.7969 106 D 4.6659 8.3962 126.8514 54.0089 38.2531 176.8425 107 A 3.7642 8.2567 125.9596 54.4052 18.8704 178.2188 108 R 3.8063 7.0769 111.6013 56.8909 29.1301 175.5035 109 Q 4.4950 8.2338 122.0688 53.4848 32.4889 173.9732 110 V 3.4492 8.3174 119.8427 63.6565 31.6730 175.1915 111 E 4.5113 8.4648 127.3169 54.2865 31.0340 175.6390 112 R 3.9071 8.2356 119.8969 55.8997 29.9463 176.7021 113 K 4.0984 8.4330 122.1728 55.6696 31.3693 176.6786 114 K 4.1484 8.3139 125.9275 56.0475 32.6367 177.5512 115 V 3.8593 8.1256 120.6274 61.7987 32.2489 175.3658 116 G 4.0216 8.5680 105.7516 46.0077 0.0000 173.1628 117 L 4.5019 7.4346 118.7293 54.0963 45.0329 174.8363 118 R 4.5950 8.1424 113.5608 57.4539 33.3480 175.8016 119 K 4.5142 7.4408 116.6003 56.2927 33.2141 176.6854 120 A 4.0058 8.4597 117.6805 52.8611 16.6539 177.4324 121 R 4.5581 7.6128 115.9090 57.7655 37.7400 175.2286 122 R 3.9772 7.8008 119.2742 55.9700 29.3898 175.0064 123 R 4.2538 8.3001 126.3705 54.5937 30.9426 174.3702 124 P 4.3264 0.0000 0.0000 62.4894 31.6818 176.1969 125 Q 4.2780 8.6871 120.8042 56.1277 29.1150 175.4232 126 F 4.6697 8.0495 110.7148 57.0327 39.3190 174.6559 127 S 3.8223 8.2517 115.2325 57.6960 63.1517 174.2916 128 K 4.5129 7.8480 124.5872 56.6326 35.7917 175.7552 129 R 4.1970 8.2351 122.9040 57.5192 29.8976 175.7024 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 3 N 8.42 4.64 0.00 2.64 2.83 0.00 0.00 7.01 6.19 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 4 Q 7.92 3.86 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 5 Y 7.70 5.27 0.00 3.10 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 6 Y 8.66 4.98 0.00 3.29 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 7 G 7.36 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 8 T 7.94 4.01 4.27 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 1.37 0.00 0.00 9 G 8.84 3.84 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 0.00 0.00 0.00 10 R 8.26 5.54 0.00 1.78 1.80 0.00 3.27 0.00 0.00 3.83 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 11 R 8.46 4.34 0.00 1.79 1.71 0.00 3.35 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 12 K 9.64 3.81 0.00 1.89 1.80 0.00 1.92 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.40 7.81 13 S 7.83 3.74 0.00 4.15 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 0.00 14 S 7.97 5.49 0.00 3.97 3.84 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 15 A 8.88 4.50 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 16 A 8.23 4.88 1.23 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 0.00 0.00 0.00 17 R 7.91 4.26 0.00 1.68 1.72 0.00 3.35 0.00 0.00 3.45 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.79 0.00 18 V 7.54 4.74 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 0.77 0.00 0.00 0.62 0.00 0.00 19 F 8.00 5.17 0.00 3.05 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 20 I 8.71 4.37 2.14 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 1.22 1.45 0.84 0.00 0.00 21 K 9.14 4.52 0.00 1.65 1.50 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.17 7.81 22 P 0.00 4.09 0.00 2.07 2.01 0.00 3.55 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 23 G 8.61 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 0.00 0.00 0.00 24 N 7.69 4.50 0.00 2.89 2.99 0.00 0.00 5.94 6.95 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 25 G 8.72 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 26 K 7.94 4.06 0.00 1.86 1.99 0.00 1.33 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.74 1.63 7.81 27 I 8.05 4.35 1.85 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 1.17 1.06 0.90 0.00 0.00 28 V 8.38 4.63 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.98 0.00 0.00 29 I 8.73 4.23 1.46 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.40 0.35 0.00 0.00 30 N 9.83 3.92 0.00 2.78 2.72 0.00 0.00 6.88 7.29 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 31 Q 8.32 3.93 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.06 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 32 R 8.36 4.28 0.00 1.93 1.98 0.00 3.37 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.05 0.00 33 S 8.06 4.88 0.00 3.83 3.76 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 0.00 0.00 0.00 0.00 34 L 8.41 3.64 0.00 1.91 1.54 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.95 5.08 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 36 Q 7.70 3.96 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.07 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 37 Y 7.89 4.31 0.00 2.60 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 0.00 0.00 0.00 38 F 7.76 5.18 0.00 3.13 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 39 G 8.51 4.90 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 40 R 8.08 3.85 0.00 1.93 1.93 0.00 3.20 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 41 E 7.72 4.56 0.00 1.88 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 2.21 2.36 0.00 42 T 8.42 4.23 4.15 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 1.15 0.00 0.00 43 A 7.55 3.84 -0.09 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 0.00 0.00 0.00 44 R 7.82 4.31 0.00 1.88 2.04 0.00 3.64 0.00 0.00 3.44 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 45 M 7.98 4.16 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 46 V 7.34 4.53 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 0.94 0.00 0.00 0.90 0.00 0.00 47 V 7.68 3.76 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 0.85 0.00 0.00 1.05 0.00 0.00 48 R 7.85 4.26 0.00 1.98 1.90 0.00 3.19 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 49 Q 8.52 3.96 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 50 P 0.00 3.70 0.00 2.07 1.86 0.00 3.55 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.86 0.00 51 L 7.71 3.97 0.00 1.86 1.74 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.13 4.22 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 2.46 2.53 0.00 53 L 7.31 4.68 0.00 1.82 1.80 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.39 4.30 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 0.88 0.00 0.00 1.05 0.00 0.00 55 D 8.56 4.51 0.00 2.82 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 56 M 8.06 4.33 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 57 V 9.07 3.51 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 0.80 0.00 0.00 0.93 0.00 0.00 58 E 7.56 5.42 0.00 2.03 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 2.46 2.18 0.00 59 K 8.16 4.81 0.00 1.64 1.54 0.00 1.66 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.60 7.81 60 L 8.75 5.07 0.00 1.53 1.52 0.82 0.16 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 61 D 9.73 5.34 0.00 2.75 2.51 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 62 L 8.21 5.91 0.00 1.67 1.76 0.89 0.61 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 63 Y 8.77 5.02 0.00 3.13 3.38 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 64 I 8.64 3.95 1.61 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 1.04 0.39 0.63 0.00 0.00 65 T 8.38 5.20 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 1.16 0.00 0.00 66 V 7.51 4.75 1.96 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 0.62 0.00 0.00 0.95 0.00 0.00 67 K 9.57 4.50 0.00 1.66 1.70 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.39 7.81 68 G 8.96 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 0.00 0.00 0.00 0.00 69 G 7.72 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 0.00 0.00 0.00 70 G 8.45 4.25 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 0.00 71 I 8.49 3.70 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.65 0.87 0.00 0.00 72 S 8.06 4.16 0.00 4.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.96 3.62 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 0.00 0.00 0.00 74 Q 8.91 4.07 0.00 2.47 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.86 2.77 0.00 75 A 8.11 4.36 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 76 G 8.24 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.03 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 0.00 0.00 78 I 8.55 3.55 2.02 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 1.31 0.95 0.83 0.00 0.00 79 R 8.91 3.82 0.00 1.86 1.89 0.00 2.97 0.00 0.00 2.58 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 80 H 7.90 4.38 0.00 3.39 3.44 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 81 G 8.05 3.41 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 0.00 82 I 7.70 3.54 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 0.82 0.00 0.00 83 T 7.50 3.96 4.18 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 1.28 0.00 0.00 84 R 7.33 4.19 0.00 1.72 1.80 0.00 3.26 0.00 0.00 3.12 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 85 A 7.95 5.13 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 86 L 7.98 4.04 0.00 1.73 1.87 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 87 M 7.60 3.93 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.72 0.00 88 E 7.81 4.87 0.00 2.01 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 2.15 2.16 0.00 89 Y 7.83 4.31 0.00 2.73 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 90 D 7.51 4.40 0.00 2.31 2.38 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 91 E 8.18 4.16 0.00 2.07 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 2.38 2.31 0.00 92 S 8.33 4.17 0.00 3.94 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.87 4.03 0.00 1.85 1.78 1.13 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.03 3.94 0.00 2.00 2.02 0.00 3.35 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 95 S 7.68 4.27 0.00 3.90 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 96 E 8.09 4.07 0.00 2.20 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 2.39 2.35 0.00 97 L 8.01 4.29 0.00 1.90 1.97 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 98 R 9.14 3.99 0.00 1.78 1.99 0.00 3.15 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 99 K 7.32 4.25 0.00 1.92 1.88 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.39 7.81 100 A 7.20 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 7.81 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 0.00 102 F 8.00 5.15 0.00 3.05 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.14 3.82 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 0.00 104 T 7.87 3.95 4.27 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 1.22 0.00 0.00 105 R 8.13 4.35 0.00 1.71 1.79 0.00 3.38 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.52 0.00 106 D 8.40 4.67 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.26 3.76 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 0.00 108 R 7.08 3.81 0.00 1.75 2.03 0.00 3.03 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 109 Q 8.23 4.49 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 110 V 8.32 3.45 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 111 E 8.46 4.51 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 112 R 8.24 3.91 0.00 1.96 1.92 0.00 3.09 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 113 K 8.43 4.10 0.00 1.74 1.81 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 114 K 8.31 4.15 0.00 1.76 1.73 0.00 1.93 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.49 7.81 115 V 8.13 3.86 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.93 0.00 0.00 116 G 8.57 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 0.00 0.00 0.00 117 L 7.43 4.50 0.00 1.75 1.58 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.14 4.59 0.00 1.76 1.90 0.00 3.11 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 119 K 7.44 4.51 0.00 1.76 1.73 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.40 7.81 120 A 8.46 4.01 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 0.00 121 R 7.61 4.56 0.00 1.83 1.92 0.00 3.34 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 122 R 7.80 3.98 0.00 1.81 1.86 0.00 3.34 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 123 R 8.30 4.25 0.00 1.81 1.84 0.00 3.35 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 124 P 0.00 4.33 0.00 2.25 2.07 0.00 3.84 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 2.01 1.96 0.00 125 Q 8.69 4.28 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 126 F 8.05 4.67 0.00 3.10 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 0.00 127 S 8.25 3.82 0.00 3.75 3.59 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 0.00 128 K 7.85 4.51 0.00 1.80 1.92 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.52 7.81 129 R 8.24 4.20 0.00 2.13 1.87 0.00 3.38 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00