NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4687 8.3344 115.4114 57.7217 64.0605 174.5147 3 S 4.4166 8.1448 111.7057 54.7787 64.7668 173.0915 4 Q 4.1913 9.5286 125.3332 57.9228 29.5119 176.2402 5 I 4.1781 7.8714 119.0653 61.8720 38.8448 176.3592 6 R 4.1782 7.1768 119.8819 56.1346 30.0493 175.7190 7 Q 4.2149 8.7725 124.1263 56.4305 31.2927 173.3259 8 N 4.3221 9.0356 122.4768 54.3410 37.6026 173.2213 9 Y 4.4794 7.2605 119.0626 55.3585 38.3897 175.1130 10 S 4.3474 7.9296 122.4087 58.2377 65.1936 175.1549 11 T 3.8476 8.2724 113.8724 64.8044 68.5514 176.6486 12 D 4.2050 7.8143 121.5025 57.2319 40.9250 178.5001 13 V 3.4097 7.4339 118.2047 65.7526 31.5638 177.2409 14 E 4.1685 7.6900 119.5829 58.8579 29.2117 178.9046 15 A 4.0087 7.9638 120.1105 54.7306 18.2859 179.4984 16 A 3.9388 7.8253 119.8555 55.2288 18.5035 179.9798 17 V 3.5610 8.1579 117.2410 66.2250 31.5253 178.0569 18 N 4.3921 8.0862 115.7361 55.8137 38.2320 177.5399 19 S 4.0691 7.6566 114.6937 61.3513 62.6030 175.9749 20 L 4.0633 8.3540 123.3741 57.9689 41.7544 179.1307 21 V 3.7337 7.8737 118.6632 65.9135 31.4988 177.5697 22 N 4.3875 8.0681 116.6236 56.4219 38.7621 176.6452 23 L 4.0496 8.2304 122.0936 58.5014 42.2343 178.6633 24 Y 4.0956 8.6247 116.7300 60.9589 37.9380 178.2046 25 L 4.1946 8.3265 120.0584 57.4704 41.7250 179.3712 26 Q 4.0189 8.1915 119.7297 59.1991 28.9818 178.0477 27 A 3.7746 8.0144 121.8975 54.9697 18.3423 179.5811 28 S 4.1781 8.3654 111.8801 61.7807 62.3628 175.8070 29 Y 4.4951 8.1056 121.7695 60.7241 38.4791 177.9481 30 T 3.8019 7.6570 116.5574 66.8971 68.5284 176.3172 31 Y 4.1930 7.7233 118.6403 60.7595 37.7669 178.7490 32 L 4.1428 8.0146 121.5276 58.3312 42.0602 178.9626 33 S 4.2407 7.5599 111.7065 61.2582 62.6332 175.7735 34 L 3.6900 7.8042 121.7791 57.6048 41.1426 179.5270 35 G 4.0141 8.5632 105.8568 48.1257 0.0000 174.8746 36 F 4.2920 8.3628 116.7318 57.9066 39.4523 176.5085 37 Y 4.4674 8.1086 121.1371 60.3041 38.8780 176.6091 38 F 4.5175 7.6962 115.8433 58.3783 38.8708 175.8933 39 D 4.6780 7.7415 117.1455 54.0834 42.2361 176.6282 40 R 4.1706 7.5762 118.1937 56.4220 30.7192 177.3829 41 D 4.4650 8.7164 120.5671 56.4176 39.5017 177.4655 42 D 4.6469 7.9691 116.3688 53.3591 39.9014 176.0234 43 V 3.9101 7.3392 117.7155 64.9171 33.3947 176.1554 44 A 3.7527 8.0426 116.9402 53.4481 16.3226 176.2919 45 L 4.7861 8.4643 126.1404 53.3009 43.1986 178.0208 46 E 3.8854 8.0080 123.2512 59.1486 30.4561 178.0417 47 G 3.5473 8.0231 105.3433 47.8718 0.0000 175.5741 48 V 3.0472 7.4510 121.0960 65.2384 31.4392 177.7276 49 S 4.2645 7.9537 112.3872 62.0452 62.1518 175.5779 50 H 4.0940 8.6133 121.0260 58.9411 29.2006 176.8764 51 F 4.0253 7.9357 122.5669 61.4247 39.1412 177.2016 52 F 4.1544 7.9537 117.2374 60.6326 38.7234 177.9526 53 R 4.0104 8.1995 117.6504 59.2734 29.8045 178.9611 54 E 3.9407 7.8266 118.1162 58.9089 29.3163 179.3465 55 L 3.6499 7.1059 118.7882 57.5765 41.6467 179.1160 56 A 4.2192 8.1741 121.0794 55.3882 18.3378 179.2878 57 E 3.9585 7.9816 117.2322 59.2394 29.6788 178.8027 58 E 3.9946 8.1612 118.8018 58.9842 29.4203 179.4289 59 K 4.1907 8.5124 119.3073 59.3590 32.1483 179.2012 60 R 2.7113 7.8306 118.8537 59.3004 30.0663 178.4641 61 E 4.0431 8.0119 117.6330 58.7215 29.2247 179.6253 62 G 3.6091 7.7448 106.1388 48.0498 0.0000 175.5545 63 Y 4.3108 8.2334 121.2745 59.5318 38.0620 178.1603 64 E 4.1814 8.0857 120.6859 59.3383 29.4798 179.2056 65 R 4.1256 8.1110 118.2204 58.9431 30.0773 178.7287 66 L 4.0948 7.9070 119.0393 57.9774 41.7811 179.2446 67 L 4.2212 8.2939 118.8890 57.5730 41.5982 179.7820 68 K 3.9467 8.0797 119.5947 59.7628 32.2382 178.6568 69 M 3.8735 7.8274 118.3042 58.3075 31.8511 177.5348 70 Q 3.7670 8.3421 120.2489 59.6809 29.0399 178.6110 71 N 4.2826 7.9792 116.6319 56.2151 38.3240 177.5954 72 Q 3.9042 7.5608 118.6365 58.6045 29.1442 178.2447 73 R 3.8896 7.6611 118.2635 56.3596 29.9811 177.9368 74 G 3.9206 7.3224 106.0796 45.3010 0.0000 174.3933 75 G 3.8914 6.9485 108.3484 45.5939 0.0000 172.8679 76 R 4.4569 8.0332 117.5600 53.5484 32.4122 176.2174 77 A 4.0649 8.4892 126.2418 52.0748 18.8544 176.4857 78 L 4.3650 8.4218 122.7185 52.7615 44.4678 176.0866 79 F 4.9021 8.3685 122.4952 55.9788 40.5103 175.3348 80 Q 4.7267 8.3378 122.9646 53.5251 31.5634 175.0001 81 D 4.4404 8.4261 118.7312 54.7457 41.3117 176.2810 82 I 4.2965 7.9402 123.2624 59.5659 38.2850 175.9675 83 K 4.2526 8.5640 125.8279 55.5566 32.6576 177.2810 84 K 4.3554 8.5564 122.3744 56.0926 32.7707 174.9777 85 P 4.4324 0.0000 0.0000 62.2886 31.9672 177.4799 86 A 4.0239 8.7186 123.1269 54.6037 18.4504 177.7842 87 E 4.3142 6.5255 109.3916 54.4987 32.9479 175.3526 88 D 4.4270 7.9851 119.3086 54.9663 42.0421 177.1713 89 E 4.0563 7.2181 117.1403 54.2272 32.2792 175.3737 90 W 4.4164 6.3225 121.9997 55.6206 30.2971 178.0341 91 G 3.7572 7.5084 107.3438 47.3198 0.0000 175.3770 92 K 4.6852 9.4420 125.1872 55.0773 34.7554 177.3141 93 T 4.0894 8.6695 116.8027 66.9812 68.4190 174.9176 94 P 4.3347 0.0000 0.0000 65.5699 31.3382 178.3014 95 D 4.4282 8.2787 117.0401 57.4601 40.8665 178.3415 96 A 4.2292 8.3016 120.9499 55.7627 18.5134 179.3462 97 M 4.2917 8.7565 116.8608 58.7659 32.2287 178.6895 98 K 4.0807 8.1354 118.2941 59.2339 32.1922 179.1696 99 A 4.0550 8.2493 120.9338 55.1127 18.3517 179.5066 100 A 3.9182 8.2501 119.4033 55.4435 18.6065 179.3736 101 M 4.0126 8.2393 116.4939 58.8751 32.2746 178.3552 102 A 4.0109 8.1805 120.7520 55.1622 18.6258 179.2720 103 L 3.8545 8.1624 119.0323 58.4313 42.0170 179.0465 104 E 4.1117 8.3745 118.4021 58.9459 29.4680 179.3204 105 K 4.0369 7.9433 118.4721 59.0025 32.0481 179.3176 106 K 3.9463 8.2590 120.0624 59.6004 32.2283 178.8851 107 L 4.0450 7.8482 119.2150 57.8675 41.4317 179.0751 108 N 4.4283 8.4824 117.1367 56.5291 38.8488 176.7477 109 Q 3.9295 8.1762 120.7901 59.2635 29.1723 177.9529 110 A 4.2230 8.2038 121.8089 55.3439 18.3200 179.6245 111 L 3.9684 8.1674 117.3158 57.9940 41.7396 179.7434 112 L 4.0434 8.1845 119.1287 57.7211 41.4307 179.1859 113 D 4.3627 8.7532 119.1708 57.5198 40.8717 178.6374 114 L 3.9142 8.1654 120.8009 58.5025 42.1304 178.5621 115 H 4.1499 8.4557 118.1106 59.0259 29.7985 177.1926 116 A 4.0633 8.2617 122.8130 55.0205 18.0015 179.3814 117 L 4.0660 8.4083 119.1457 57.8095 41.9839 179.3670 118 G 3.5759 7.7794 105.5511 47.5960 0.0000 176.1317 119 S 4.1215 8.0089 116.7575 60.9470 62.5384 176.7134 120 A 4.0320 7.7164 123.0774 55.1068 18.2543 179.0885 121 R 4.1739 7.4459 113.2914 55.1692 31.2930 177.1259 122 T 3.4673 7.0068 108.4125 63.2593 68.0932 173.8167 123 D 4.8699 8.0433 122.1627 51.6568 41.3574 174.0008 124 P 4.3355 0.0000 0.0000 65.2762 31.2527 178.0907 125 H 4.1695 8.2803 118.0991 59.2726 30.0347 176.7165 126 L 4.0030 8.1516 121.6548 58.2366 42.0380 178.6307 127 C 4.0775 7.9125 116.8241 62.8965 28.2173 175.5932 128 D 4.5785 8.3355 119.5805 56.8953 40.8560 177.9359 129 F 4.1214 8.4795 121.7244 61.4402 39.3712 177.1446 130 L 3.9956 7.9845 118.0200 57.6785 41.1678 179.3295 131 E 3.9984 7.9263 117.2731 59.9759 29.5502 179.2912 132 T 4.1499 7.7557 113.9124 65.7053 68.7667 175.8166 133 H 4.7027 7.9707 114.1709 55.4351 30.1406 174.6034 134 F 4.5963 7.8432 117.3244 58.4657 42.4597 176.8813 135 L 4.0442 8.5366 120.6600 58.0848 41.4656 179.1592 136 D 4.3770 8.0888 117.3026 57.1980 41.1915 177.9832 137 E 3.9251 8.0811 118.6855 59.5443 29.5338 178.9930 138 E 4.0260 8.2939 118.5182 59.3021 29.4421 179.3038 139 V 3.5968 7.8576 118.2496 66.3255 31.6098 178.2127 140 K 3.9275 8.1615 117.8711 59.4743 31.9048 179.1546 141 L 4.0867 8.1301 120.5178 57.7579 41.8911 179.2007 142 I 3.7296 7.9271 120.2392 64.1709 37.1167 177.9477 143 K 3.8264 8.1679 120.6054 59.5128 32.0803 178.4649 144 K 3.8439 8.1104 119.5399 60.0086 32.2851 178.7410 145 M 4.3835 8.3155 118.7294 57.8732 31.7732 179.1801 146 G 3.5632 8.2076 106.5154 47.9506 0.0000 175.4844 147 D 4.3691 8.1422 121.9713 57.4336 40.7198 178.8104 148 H 4.2338 7.9714 116.2424 58.6479 28.5635 177.9518 149 L 4.0062 7.7714 120.4375 58.1132 41.6203 179.6034 150 T 3.8619 7.9107 115.6677 66.8501 68.0847 176.5204 151 N 4.4462 8.3199 118.2278 55.9282 38.2971 177.6749 152 L 3.9973 7.9994 120.2910 58.0024 41.8464 178.5585 153 H 4.2567 8.2722 117.2856 59.1207 29.8115 176.9709 154 R 4.0800 7.7237 119.5370 58.7620 31.3346 178.1985 155 L 4.5403 7.3716 118.4840 54.5345 37.4545 177.3678 156 G 3.6997 7.4909 110.8227 45.6821 0.0000 170.5849 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 2 S 8.33 4.47 0.00 4.00 3.46 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 0.00 3 S 8.14 4.42 0.00 3.88 3.65 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 4 Q 9.53 4.19 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 5 I 7.87 4.18 1.81 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 1.15 0.60 0.88 0.00 0.00 6 R 7.18 4.18 0.00 1.73 1.87 0.00 3.21 0.00 0.00 3.05 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 7 Q 8.77 4.21 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 5.94 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 8 N 9.04 4.32 0.00 2.89 2.91 0.00 0.00 7.06 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 9 Y 7.26 4.48 0.00 3.03 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 10 S 7.93 4.35 0.00 3.95 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 11 T 8.27 3.85 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 1.18 0.00 0.00 12 D 7.81 4.20 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.43 3.41 1.65 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 0.85 0.00 0.00 0.76 0.00 0.00 14 E 7.69 4.17 0.00 2.05 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 2.36 2.54 0.00 15 A 7.96 4.01 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 16 A 7.83 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 17 V 8.16 3.56 2.25 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 1.00 0.00 0.00 1.02 0.00 0.00 18 N 8.09 4.39 0.00 2.89 2.90 0.00 0.00 6.63 6.80 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 19 S 7.66 4.07 0.00 4.01 4.07 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 0.00 0.00 0.00 20 L 8.35 4.06 0.00 1.90 1.77 1.09 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.87 3.73 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 1.07 0.00 0.00 1.07 0.00 0.00 22 N 8.07 4.39 0.00 2.83 2.99 0.00 0.00 6.85 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.23 4.05 0.00 2.06 2.05 0.96 0.99 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 24 Y 8.62 4.10 0.00 3.40 3.42 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 25 L 8.33 4.19 0.00 1.85 1.60 0.72 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.19 4.02 0.00 2.29 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 27 A 8.01 3.77 1.11 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 0.00 0.00 28 S 8.37 4.18 0.00 4.29 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 29 Y 8.11 4.50 0.00 3.19 3.09 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 30 T 7.66 3.80 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 0.72 0.00 0.00 31 Y 7.72 4.19 0.00 2.96 3.06 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 0.00 0.00 0.00 32 L 8.01 4.14 0.00 2.06 1.95 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.56 4.24 0.00 3.86 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 34 L 7.80 3.69 0.00 1.61 1.47 -0.17 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.56 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 36 F 8.36 4.29 0.00 3.13 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 37 Y 8.11 4.47 0.00 3.31 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 38 F 7.70 4.52 0.00 3.31 3.01 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 39 D 7.74 4.68 0.00 2.46 2.58 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 40 R 7.58 4.17 0.00 1.81 1.79 0.00 3.33 0.00 0.00 2.96 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 41 D 8.72 4.47 0.00 2.82 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 42 D 7.97 4.65 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 43 V 7.34 3.91 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 0.77 0.00 0.00 0.37 0.00 0.00 44 A 8.04 3.75 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 45 L 8.46 4.79 0.00 1.67 1.40 0.99 0.88 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 46 E 8.01 3.89 0.00 2.00 1.89 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 2.33 2.39 0.00 47 G 8.02 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.45 3.05 1.10 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 -0.34 0.00 0.00 0.43 0.00 0.00 49 S 7.95 4.26 0.00 4.07 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 50 H 8.61 4.09 0.00 3.21 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.94 4.03 0.00 2.97 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 52 F 7.95 4.15 0.00 3.19 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 53 R 8.20 4.01 0.00 1.80 2.00 0.00 2.76 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 54 E 7.83 3.94 0.00 1.93 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 2.17 2.20 0.00 55 L 7.11 3.65 0.00 0.90 0.57 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.17 4.22 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.98 3.96 0.00 2.26 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 2.28 2.36 0.00 58 E 8.16 3.99 0.00 2.15 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 2.25 2.41 0.00 59 K 8.51 4.19 0.00 2.04 2.03 0.00 1.37 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.83 1.72 7.81 60 R 7.83 2.71 0.00 1.93 1.97 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.53 0.00 61 E 8.01 4.04 0.00 2.16 1.90 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 2.26 2.45 0.00 62 G 7.74 3.61 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 0.00 63 Y 8.23 4.31 0.00 3.22 3.43 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 0.00 0.00 0.00 0.00 64 E 8.09 4.18 0.00 2.06 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 0.00 2.51 2.32 0.00 65 R 8.11 4.13 0.00 2.19 2.28 0.00 3.08 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.78 0.00 66 L 7.91 4.09 0.00 2.04 1.73 0.72 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.29 4.22 0.00 1.83 1.85 1.22 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.08 3.95 0.00 2.17 2.04 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.51 7.81 69 M 7.83 3.87 0.00 1.55 1.33 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.21 0.00 70 Q 8.34 3.77 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 71 N 7.98 4.28 0.00 2.79 2.80 0.00 0.00 7.16 8.54 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 72 Q 7.56 3.90 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 73 R 7.66 3.89 0.00 0.72 0.73 0.00 2.96 0.00 0.00 2.87 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.35 0.00 74 G 7.32 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 0.00 0.00 0.00 75 G 6.95 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 76 R 8.03 4.46 0.00 1.74 1.76 0.00 3.30 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 77 A 8.49 4.06 0.93 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 0.00 0.00 78 L 8.42 4.36 0.00 1.43 1.44 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.37 4.90 0.00 3.04 2.88 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 80 Q 8.34 4.73 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 81 D 8.43 4.44 0.00 2.67 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 82 I 7.94 4.30 1.67 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.42 0.93 0.00 0.00 83 K 8.56 4.25 0.00 1.96 1.79 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.45 7.81 84 K 8.56 4.36 0.00 1.83 1.95 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.44 7.81 85 P 0.00 4.43 0.00 2.31 2.25 0.00 3.29 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 86 A 8.72 4.02 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 87 E 6.53 4.31 0.00 1.16 1.12 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 1.70 1.82 0.00 88 D 7.99 4.43 0.00 2.46 2.59 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 89 E 7.22 4.06 0.00 1.68 1.72 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 2.17 2.15 0.00 90 W 6.32 4.42 0.00 2.73 3.09 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 91 G 7.51 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 0.00 0.00 0.00 92 K 9.44 4.69 0.00 2.01 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.58 7.81 93 T 8.67 4.09 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 1.00 0.00 0.00 94 P 0.00 4.33 0.00 2.23 2.16 0.00 3.66 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 2.16 2.22 0.00 95 D 8.28 4.43 0.00 3.21 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 96 A 8.30 4.23 1.88 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 97 M 8.76 4.29 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.66 0.00 98 K 8.14 4.08 0.00 2.27 1.91 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.62 7.81 99 A 8.25 4.05 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.25 3.92 1.58 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 0.00 101 M 8.24 4.01 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 102 A 8.18 4.01 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 0.00 103 L 8.16 3.85 0.00 1.77 1.79 0.80 0.51 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 0.00 104 E 8.37 4.11 0.00 2.23 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 0.00 2.68 2.59 0.00 105 K 7.94 4.04 0.00 2.03 1.88 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.60 7.81 106 K 8.26 3.95 0.00 1.83 1.98 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 107 L 7.85 4.05 0.00 1.91 1.74 0.52 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.48 4.43 0.00 3.03 2.99 0.00 0.00 6.85 7.02 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 0.00 109 Q 8.18 3.93 0.00 2.41 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 110 A 8.20 4.22 1.46 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 0.00 0.00 0.00 111 L 8.17 3.97 0.00 2.06 1.81 1.24 0.34 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 0.00 112 L 8.18 4.04 0.00 1.92 1.74 0.95 1.27 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 0.00 113 D 8.75 4.36 0.00 2.90 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 0.00 114 L 8.17 3.91 0.00 1.84 1.85 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.46 4.15 0.00 3.36 3.44 0.00 5.64 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 0.00 116 A 8.26 4.06 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 0.00 117 L 8.41 4.07 0.00 1.86 1.90 0.88 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 118 G 7.78 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 0.00 119 S 8.01 4.12 0.00 4.05 3.93 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 0.00 120 A 7.72 4.03 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 0.00 121 R 7.45 4.17 0.00 1.73 1.90 0.00 3.42 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 122 T 7.01 3.47 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 1.25 0.00 0.00 123 D 8.04 4.87 0.00 2.71 2.54 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 0.00 124 P 0.00 4.34 0.00 2.33 2.33 0.00 3.83 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 2.11 2.05 0.00 125 H 8.28 4.17 0.00 3.25 3.50 0.00 5.68 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 0.00 126 L 8.15 4.00 0.00 1.98 1.81 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 127 C 7.91 4.08 0.00 3.11 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 0.00 128 D 8.34 4.58 0.00 2.88 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 0.00 129 F 8.48 4.12 0.00 3.08 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 0.00 130 L 7.98 4.00 0.00 1.85 1.76 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.93 4.00 0.00 2.20 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 2.39 2.62 0.00 132 T 7.76 4.15 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 1.17 0.00 0.00 133 H 7.97 4.70 0.00 2.89 2.98 0.00 5.62 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.84 4.60 0.00 3.10 3.08 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 0.00 135 L 8.54 4.04 0.00 1.72 1.75 0.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.09 4.38 0.00 2.74 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 0.00 137 E 8.08 3.93 0.00 2.14 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 2.30 2.27 0.00 138 E 8.29 4.03 0.00 2.15 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 2.57 2.63 0.00 139 V 7.86 3.60 2.28 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 1.12 0.00 0.00 0.98 0.00 0.00 140 K 8.16 3.93 0.00 1.98 1.85 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.62 7.81 141 L 8.13 4.09 0.00 1.85 1.83 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.93 3.73 2.13 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 0.94 0.00 0.00 143 K 8.17 3.83 0.00 1.86 2.00 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 144 K 8.11 3.84 0.00 2.03 2.03 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.23 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.49 7.81 145 M 8.32 4.38 0.00 2.24 2.39 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.86 0.00 146 G 8.21 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.14 4.37 0.00 2.68 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 0.00 148 H 7.97 4.23 0.00 3.28 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.77 4.01 0.00 1.91 1.74 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 150 T 7.91 3.86 4.36 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 1.21 0.00 0.00 151 N 8.32 4.45 0.00 2.83 2.84 0.00 0.00 7.07 6.05 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 0.00 152 L 8.00 4.00 0.00 1.77 1.73 0.89 1.25 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 0.00 153 H 8.27 4.26 0.00 3.23 3.51 0.00 5.76 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.72 4.08 0.00 1.99 2.15 0.00 3.31 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 155 L 7.37 4.54 0.00 1.64 1.62 0.89 0.71 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 0.00 156 G 7.49 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