NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4667 8.1633 120.3259 54.0592 34.7401 177.0252 2 P 4.0456 0.0000 0.0000 65.6082 32.2575 176.6893 3 G 3.6960 8.0598 107.2612 48.4461 0.0000 175.7103 4 V 3.6506 7.8092 120.5065 64.5238 31.1729 178.1097 5 S 4.2457 7.7709 113.9348 59.8721 62.1353 175.9903 6 V 2.7616 6.8899 120.4660 65.7946 31.2106 177.8798 7 R 4.1166 7.8744 116.0481 58.4209 30.8239 177.8564 8 D 4.9961 8.0793 117.5285 53.0092 39.4335 175.7585 9 V 4.3534 7.1834 110.2287 59.4553 35.4237 176.6496 10 A 4.0185 8.5752 123.7043 52.6141 19.1573 178.5934 11 A 4.0971 8.8832 126.9763 55.3547 18.4100 179.6430 12 Q 3.9483 8.0926 115.6014 59.7013 28.6111 178.2729 13 D 4.3738 8.1172 119.6483 56.4161 41.3643 177.8425 14 F 3.9716 8.1386 121.7360 61.1264 39.4587 177.2078 15 I 3.8079 8.1077 113.1902 63.9784 37.1912 177.6633 16 N 4.6103 8.5684 119.4556 55.8511 39.3239 176.4220 17 A 4.0830 7.6762 122.2409 55.3009 18.5627 179.0397 18 Y 4.3631 7.8847 117.8757 60.7479 38.7060 177.6422 19 A 3.8357 8.0293 121.8435 55.1390 18.1693 179.5489 20 S 3.8816 7.7728 110.4039 61.4260 62.4868 175.9348 21 F 4.2413 7.2675 118.4397 60.5094 38.5805 177.6215 22 L 3.9085 7.7206 118.3712 57.7105 41.0780 179.2477 23 Q 4.1830 7.6620 119.0306 59.2464 28.9500 177.7601 24 R 4.0631 7.5616 118.1739 59.0302 30.3714 177.5067 25 Q 4.0828 7.6771 115.3091 56.2443 29.2510 177.6703 26 G 3.8539 8.6703 110.3361 48.5820 0.0000 176.0339 27 K 4.6980 7.2959 120.0427 54.3041 31.2780 177.9928 28 L 3.3329 8.8797 125.8355 56.3471 38.1279 173.6307 29 E 3.9614 7.3300 117.1255 56.6454 29.7187 177.5936 30 V 3.9206 8.0945 117.0660 60.7914 31.8086 173.3363 31 P 4.4231 0.0000 0.0000 63.6547 30.2005 176.6395 32 G 3.9925 8.6247 107.6609 45.9523 0.0000 173.1527 33 Y 4.0532 7.8890 117.0253 61.0004 37.9751 178.1952 34 V 3.6319 7.7982 111.8525 64.1704 31.8404 177.1504 35 D 4.8923 7.6510 118.0665 56.7988 40.8596 178.7325 36 I 3.6267 7.9424 119.2419 62.1784 37.1947 176.8643 37 V 5.4658 7.1044 135.0000 61.1730 31.7919 170.6572 38 K 4.0667 8.4039 126.5144 58.9860 32.7479 177.3844 39 T 4.5821 7.3306 116.2121 62.2570 70.1465 172.4816 40 S 3.9853 8.0913 113.6023 61.4532 62.9192 175.8025 41 S 4.6480 7.8546 113.2908 58.8190 68.9361 175.4637 42 G 4.0889 7.9722 108.5824 45.1212 0.0000 173.5244 43 N 4.7228 8.0776 120.1992 51.7152 38.4171 173.0354 44 E 4.9239 8.1161 123.8599 54.0996 33.1138 177.4159 45 M 4.3654 8.5093 118.9554 57.5864 32.3087 177.3520 46 P 4.3868 0.0000 0.0000 64.9227 30.9396 175.6461 47 P 4.4598 0.0000 0.0000 63.8094 31.8832 178.0312 48 Q 4.2748 8.7033 117.9789 59.1055 28.7493 178.4028 49 D 4.0706 7.5869 117.8743 57.1395 41.4111 177.3831 50 A 3.9430 7.8328 119.8315 54.8094 18.3396 178.5035 51 E 4.7412 7.4355 115.1049 54.9199 33.2135 175.4955 52 G 4.7479 7.4203 120.4193 43.4371 0.0000 171.8687 53 W 2.5811 8.9563 135.0000 59.5966 30.0676 176.8411 54 F 4.3424 7.9857 118.9033 61.7149 39.3820 177.5262 55 Y 3.8403 8.1414 114.3858 60.8495 38.1928 177.5230 56 K 3.9402 7.5128 119.6900 59.3645 31.9890 178.7388 57 R 3.4207 6.8402 117.1100 59.0542 30.2776 178.1029 58 A 3.9393 7.4272 120.1649 54.9407 17.9302 179.5486 59 A 4.0453 7.9672 121.7939 56.0304 18.4202 180.7539 60 S 4.2411 7.9560 116.7461 63.6532 62.4387 178.7693 61 V 3.7522 7.6486 115.8077 63.9284 30.7093 178.5187 62 A 4.0614 8.1074 120.3279 55.2339 18.0751 179.4596 63 R 3.8981 7.5204 115.5904 59.8309 30.6024 178.2081 64 H 4.4579 9.0683 116.5085 58.9826 28.5520 177.5508 65 I 3.7282 7.7653 119.2066 64.1352 37.8425 176.7002 66 Y 4.3402 7.5299 118.6860 61.0882 38.6442 177.5721 67 M 4.1771 7.9363 117.1101 58.4907 33.4993 176.8979 68 R 4.6023 7.0569 119.5442 54.3644 28.5490 179.4900 69 K 3.9164 8.8603 126.5188 56.3156 31.2746 175.0010 70 Q 4.5280 8.0884 116.4286 56.3918 30.4441 176.3887 71 V 3.9536 7.6058 121.0280 62.4512 32.8438 173.6613 72 G 4.5075 8.6052 105.2522 43.8321 0.0000 173.0704 73 V 4.3301 7.6272 114.0865 64.0102 31.3244 178.9817 74 G 3.5894 8.0308 105.0285 47.6629 0.0000 175.5107 75 K 3.9692 7.5694 121.5512 59.1408 31.9663 179.0368 76 L 4.2185 7.3356 118.0203 57.8393 41.6681 178.7220 77 N 4.5885 7.6768 115.4583 55.7181 38.8181 176.0932 78 K 4.3424 7.6834 117.0471 56.9136 34.4797 180.7077 79 L 3.0889 7.0446 117.3919 57.4131 42.1385 177.0183 80 Y 4.3268 6.3582 113.7580 59.9639 38.2173 176.1228 81 G 4.3075 7.7963 106.6419 43.5507 0.0000 173.6788 82 G 4.0061 8.6544 110.5175 45.7005 0.0000 174.3225 83 A 4.4594 8.6998 119.1638 52.9905 16.1956 177.9363 84 K 4.3630 7.6866 121.1009 55.0450 33.8207 177.9849 85 S 4.3176 8.4302 116.0381 58.3728 63.0744 173.4681 86 R 4.5632 8.1978 123.9959 54.5147 31.7504 176.7458 87 G 3.7209 8.3518 109.4359 45.6052 0.0000 173.5979 88 V 3.6232 7.8190 117.2137 62.8975 30.3698 171.4516 89 R 4.1693 8.4564 118.2464 60.3732 31.2888 175.4127 90 P 4.1214 0.0000 0.0000 61.3252 33.5683 179.7264 91 Y 3.8833 7.4177 109.5976 58.5109 37.0746 169.7017 92 K 3.9382 9.2678 128.9919 58.0641 30.3693 178.4325 93 H 5.4353 9.2080 118.6010 53.7985 32.5295 173.1183 94 I 4.3364 7.8520 120.3683 59.9093 39.2249 176.2643 95 D 4.9798 8.4741 125.0428 57.4328 42.4474 177.0124 96 A 4.4003 6.8528 117.6090 50.6949 21.9923 179.8262 97 S 4.6379 8.3324 111.3175 59.7894 63.3008 176.6068 98 G 3.5785 8.2502 110.9017 47.8837 0.0000 176.1841 99 S 4.2691 7.9209 115.3035 60.8763 62.2603 176.1068 100 I 3.3101 7.5046 115.7556 63.8180 37.4428 177.8374 101 N 4.4359 7.9471 119.2727 55.5719 37.2299 177.2480 102 R 3.8436 7.4182 120.0042 58.9563 30.2611 178.4198 103 K 3.9184 7.7776 119.1121 59.4413 31.7926 178.9947 104 V 3.6606 7.6706 118.4231 66.1010 31.2573 178.1036 105 L 3.9642 7.9788 118.7402 57.7151 41.1886 179.5127 106 Q 4.0070 7.8354 116.6921 58.8820 28.7484 178.2871 107 A 4.1911 7.6874 121.0420 55.2711 18.4283 179.7224 108 L 3.9908 7.5392 117.2139 57.8707 41.4212 179.5527 109 E 3.9902 7.7424 117.6652 59.3326 29.4726 179.2605 110 K 4.1286 7.4758 117.2833 59.5486 32.2323 178.9767 111 I 3.8898 7.6459 117.3236 63.3994 38.0490 176.3628 112 G 4.1950 8.0391 105.7455 45.1559 0.0000 174.4484 113 I 3.9561 8.1996 121.8716 63.8064 37.9062 176.3472 114 V 4.9183 7.7576 112.1440 59.4620 34.9332 174.4626 115 E 4.8212 8.8751 122.5093 54.4880 33.8130 173.8242 116 I 4.6764 8.2186 122.4359 59.2842 40.2145 175.2467 117 S 4.6168 8.4848 125.3270 56.7890 63.9025 172.5912 118 P 4.3135 0.0000 0.0000 65.7053 31.3999 177.5206 119 K 4.1817 7.9899 119.9028 57.6021 32.8986 178.0986 120 G 3.7016 8.0506 106.5150 48.6261 0.0000 172.1021 121 G 4.2961 7.9102 104.9610 44.5364 0.0000 171.9867 122 R 4.9274 8.6887 122.1636 55.1228 32.0526 176.3607 123 R 4.7669 8.3810 124.3781 54.2502 33.8328 175.0142 124 I 4.3051 8.3131 121.4249 60.9878 39.3741 174.7290 125 S 4.7556 7.9282 121.4802 56.4531 65.3261 174.2373 126 E 3.9930 8.7566 119.8318 59.3403 29.1803 178.4252 127 N 4.5752 8.1976 116.4061 56.1487 38.6721 177.5087 128 G 3.7337 7.9584 106.9662 47.8281 0.0000 175.6700 129 Q 4.0161 7.9707 120.4925 58.7516 28.6411 178.5400 130 R 3.8215 7.5988 119.3193 59.4264 30.1623 178.3412 131 D 4.3238 7.7142 117.2199 57.1907 40.7854 178.7449 132 L 3.5951 7.3334 118.8775 57.8763 41.2481 179.4304 133 D 4.1287 8.0893 119.0072 57.1806 40.5177 178.7482 134 R 3.8933 7.7059 118.5074 59.3589 30.3948 178.3303 135 I 3.2140 7.5331 112.7042 63.5529 37.3118 177.9334 136 A 4.2044 7.8265 121.9184 54.9090 17.8330 179.2386 137 A 3.9343 7.3319 117.5014 55.6500 17.4678 179.3613 138 Q 4.1107 8.1183 118.0204 59.2080 28.5956 178.3051 139 T 4.0362 7.6624 111.1399 64.9304 68.8680 176.2581 140 L 4.0306 7.9252 123.0818 57.5185 41.9531 178.2708 141 E 3.9565 8.1207 118.1408 59.1266 29.6978 177.9558 142 E 4.0734 7.4756 118.5769 59.2836 29.8239 178.0289 143 D 4.4520 7.6292 115.7263 57.0061 41.4672 175.6927 144 E 4.2573 7.8592 121.5365 56.4182 29.6883 175.7229 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 M 8.16 4.47 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 2 P 0.00 4.05 0.00 2.10 2.28 0.00 3.68 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 2.04 2.15 0.00 3 G 8.06 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 4 V 7.81 3.65 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 0.81 0.00 0.00 0.96 0.00 0.00 5 S 7.77 4.25 0.00 3.98 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 6 V 6.89 2.76 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 0.16 0.00 0.00 0.65 0.00 0.00 7 R 7.87 4.12 0.00 2.08 1.95 0.00 3.38 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 8 D 8.08 5.00 0.00 2.84 2.78 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 9 V 7.18 4.35 2.15 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 0.79 0.00 0.00 1.14 0.00 0.00 10 A 8.58 4.02 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 11 A 8.88 4.10 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 12 Q 8.09 3.95 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 13 D 8.12 4.37 0.00 2.85 2.89 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 14 F 8.14 3.97 0.00 3.19 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 15 I 8.11 3.81 1.91 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 1.43 0.73 1.09 0.00 0.00 16 N 8.57 4.61 0.00 2.75 2.89 0.00 0.00 7.12 7.54 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 17 A 7.68 4.08 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 18 Y 7.88 4.36 0.00 2.62 2.81 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 19 A 8.03 3.84 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 20 S 7.77 3.88 0.00 3.66 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 21 F 7.27 4.24 0.00 3.54 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 22 L 7.72 3.91 0.00 1.73 1.60 0.42 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.66 4.18 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 24 R 7.56 4.06 0.00 2.00 2.02 0.00 3.30 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 25 Q 7.68 4.08 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 26 G 8.67 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 0.00 0.00 0.00 27 K 7.30 4.70 0.00 1.82 1.04 0.00 2.06 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.39 7.81 28 L 8.88 3.33 0.00 1.69 1.49 1.04 0.78 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 29 E 7.33 3.96 0.00 1.97 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 2.30 2.27 0.00 30 V 8.09 3.92 2.00 0.00 0.00 0.00 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 0.89 0.00 0.00 31 P 0.00 4.42 0.00 2.28 2.04 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 32 G 8.62 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 33 Y 7.89 4.05 0.00 2.91 2.92 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 34 V 7.80 3.63 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 0.51 0.00 0.00 0.93 0.00 0.00 35 D 7.65 4.89 0.00 2.84 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 36 I 7.94 3.63 1.85 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 1.44 0.43 0.90 0.00 0.00 37 V 7.10 5.47 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 0.78 0.00 0.00 1.07 0.00 0.00 38 K 8.40 4.07 0.00 1.45 1.60 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.92 1.20 7.81 39 T 7.33 4.58 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 1.33 0.00 0.00 40 S 8.09 3.99 0.00 4.04 3.81 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 41 S 7.85 4.65 0.00 3.84 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 42 G 7.97 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 0.00 0.00 0.00 0.00 43 N 8.08 4.72 0.00 2.90 2.81 0.00 0.00 6.86 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 44 E 8.12 4.92 0.00 2.04 1.85 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 2.31 2.25 0.00 45 M 8.51 4.37 0.00 2.41 2.19 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 2.74 2.57 0.00 46 P 0.00 4.39 0.00 2.06 2.13 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 47 P 0.00 4.46 0.00 2.17 2.07 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 48 Q 8.70 4.27 0.00 2.45 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.77 0.00 0.00 0.00 0.00 0.00 2.68 2.47 0.00 49 D 7.59 4.07 0.00 2.80 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 50 A 7.83 3.94 1.16 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 0.00 0.00 51 E 7.44 4.74 0.00 1.89 1.74 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 2.19 2.16 0.00 52 G 7.42 4.75 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 53 W 8.96 2.58 0.00 3.12 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 54 F 7.99 4.34 0.00 3.54 3.23 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 55 Y 8.14 3.84 0.00 2.84 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 56 K 7.51 3.94 0.00 1.94 1.59 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.36 7.81 57 R 6.84 3.42 0.00 1.32 1.74 0.00 2.96 0.00 0.00 2.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.55 0.00 58 A 7.43 3.94 0.98 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 59 A 7.97 4.05 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 60 S 7.96 4.24 0.00 3.75 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 61 V 7.65 3.75 2.15 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 0.75 0.00 0.00 0.99 0.00 0.00 62 A 8.11 4.06 1.61 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 0.00 0.00 63 R 7.52 3.90 0.00 2.05 2.23 0.00 3.33 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 64 H 9.07 4.46 0.00 3.45 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.77 3.73 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 1.05 0.00 0.00 66 Y 7.53 4.34 0.00 2.92 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 67 M 7.94 4.18 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.61 0.00 68 R 7.06 4.60 0.00 1.84 0.96 0.00 3.10 0.00 0.00 3.23 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 69 K 8.86 3.92 0.00 1.91 2.42 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.20 1.34 7.81 70 Q 8.09 4.53 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 71 V 7.61 3.95 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 0.97 0.00 0.00 1.00 0.00 0.00 72 G 8.61 4.51 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 0.00 73 V 7.63 4.33 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 1.24 0.00 0.00 0.94 0.00 0.00 74 G 8.03 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 0.00 0.00 0.00 75 K 7.57 3.97 0.00 1.95 1.82 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.50 7.81 76 L 7.34 4.22 0.00 1.97 1.89 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 77 N 7.68 4.59 0.00 2.77 2.92 0.00 0.00 6.93 7.47 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 78 K 7.68 4.34 0.00 1.74 1.87 0.00 1.68 0.00 0.00 1.95 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.41 7.81 79 L 7.04 3.09 0.00 1.56 0.98 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 6.36 4.33 0.00 3.07 3.10 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 81 G 7.80 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 0.00 0.00 0.00 0.00 82 G 8.65 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.70 4.46 1.44 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 84 K 7.69 4.36 0.00 1.81 1.79 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.53 7.81 85 S 8.43 4.32 0.00 3.84 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 86 R 8.20 4.56 0.00 1.66 1.69 0.00 2.21 0.00 0.00 2.82 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.31 0.00 87 G 8.35 3.72 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 88 V 7.82 3.62 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 0.72 0.00 0.00 0.92 0.00 0.00 89 R 8.46 4.17 0.00 1.82 1.94 0.00 3.44 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 90 P 0.00 4.12 0.00 2.24 1.23 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.03 0.00 91 Y 7.42 3.88 0.00 3.17 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 92 K 9.27 3.94 0.00 1.77 1.38 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.42 7.81 93 H 9.21 5.44 0.00 3.26 3.10 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.85 4.34 1.65 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.16 0.81 0.00 0.00 95 D 8.47 4.98 0.00 2.86 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 96 A 6.85 4.40 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 97 S 8.33 4.64 0.00 3.97 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 98 G 8.25 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.92 4.27 0.00 3.83 3.74 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 0.00 100 I 7.50 3.31 1.65 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 -0.65 0.00 0.00 101 N 7.95 4.44 0.00 3.07 3.37 0.00 0.00 6.66 7.58 0.00 0.00 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 R 7.42 3.84 0.00 2.00 1.97 0.00 2.92 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 103 K 7.78 3.92 0.00 1.77 2.02 0.00 1.69 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.47 1.74 7.81 104 V 7.67 3.66 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 0.92 0.00 0.00 0.96 0.00 0.00 105 L 7.98 3.96 0.00 1.78 1.72 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.84 4.01 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 107 A 7.69 4.19 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 0.00 0.00 108 L 7.54 3.99 0.00 1.70 1.76 0.93 0.91 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 0.00 109 E 7.74 3.99 0.00 2.15 2.03 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 2.46 2.51 0.00 110 K 7.48 4.13 0.00 1.73 1.88 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.66 1.60 7.81 111 I 7.65 3.89 1.90 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 1.60 0.77 1.02 0.00 0.00 112 G 8.04 4.20 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 0.00 0.00 0.00 113 I 8.20 3.96 1.91 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 1.39 0.86 0.97 0.00 0.00 114 V 7.76 4.92 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 0.73 0.00 0.00 1.02 0.00 0.00 115 E 8.88 4.82 0.00 2.08 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 2.20 2.27 0.00 116 I 8.22 4.68 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 1.35 1.35 0.99 0.00 0.00 117 S 8.48 4.62 0.00 4.06 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 0.00 118 P 0.00 4.31 0.00 2.17 2.17 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 119 K 7.99 4.18 0.00 1.71 1.86 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.48 7.81 120 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 0.00 121 G 7.91 4.30 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 0.00 122 R 8.69 4.93 0.00 2.06 1.82 0.00 3.19 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 123 R 8.38 4.77 0.00 1.73 1.78 0.00 3.17 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 124 I 8.31 4.31 1.93 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 1.33 0.70 0.95 0.00 0.00 125 S 7.93 4.76 0.00 4.07 3.74 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 0.00 126 E 8.76 3.99 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 0.00 127 N 8.20 4.58 0.00 2.79 2.87 0.00 0.00 7.04 8.01 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 0.00 128 G 7.96 3.73 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 0.00 0.00 0.00 129 Q 7.97 4.02 0.00 2.51 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.66 2.43 0.00 130 R 7.60 3.82 0.00 2.11 2.11 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 131 D 7.71 4.32 0.00 2.89 2.76 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 0.00 132 L 7.33 3.60 0.00 1.73 1.32 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.09 4.13 0.00 2.58 2.57 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 0.00 134 R 7.71 3.89 0.00 1.86 1.89 0.00 3.23 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 135 I 7.53 3.21 0.56 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.21 -0.07 0.00 0.00 136 A 7.83 4.20 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 0.00 137 A 7.33 3.93 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 0.00 138 Q 8.12 4.11 0.00 2.27 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 139 T 7.66 4.04 4.32 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 1.25 0.00 0.00 140 L 7.93 4.03 0.00 1.81 1.73 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.12 3.96 0.00 2.02 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 2.31 2.38 0.00 142 E 7.48 4.07 0.00 2.17 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 2.33 2.37 0.00 143 D 7.63 4.45 0.00 2.93 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 0.00 144 E 7.86 4.26 0.00 2.03 1.84 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 2.28 2.39 0.00