NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4568 8.3193 115.4128 57.5459 64.3263 174.4423 2 P 4.3874 0.0000 0.0000 61.2323 28.6995 171.3105 3 E 4.7299 7.4232 125.0418 57.0301 36.4093 176.9020 4 I 4.6583 7.4317 112.9690 61.2037 38.3684 175.5987 5 M 4.6604 8.2058 117.3810 56.0334 32.5872 177.1228 6 K 4.7173 7.6506 116.2436 54.7077 33.0606 176.2689 7 N 5.0051 7.7981 115.4509 50.8199 43.0380 175.9437 8 L 4.1432 8.9151 122.3040 57.3224 40.8469 179.5203 9 S 4.2037 7.6641 117.3979 62.0560 62.7121 176.4119 10 N 4.4023 8.2026 118.5237 56.5231 38.3830 177.2892 11 N 4.3667 8.1635 117.4693 55.9725 38.6181 176.8466 12 F 4.2423 8.7757 122.8155 61.6643 39.4092 177.5587 13 G 3.7625 8.3829 105.0740 47.5207 0.0000 175.5647 14 K 3.9559 8.4739 121.7764 59.4757 32.3209 178.7291 15 A 4.0272 8.3217 121.3512 55.3406 18.2274 179.2359 16 M 3.9939 8.5436 116.9537 58.9775 32.1240 177.9463 17 D 4.4062 8.5490 118.5124 57.3933 41.3389 178.1561 18 Q 4.0440 8.5262 118.9858 59.3013 28.7773 178.3482 19 C 4.3375 8.1555 117.4594 59.8033 34.6829 175.8898 20 K 3.8675 8.8495 121.0200 58.3947 31.6470 176.7213 21 D 4.6078 7.5398 115.8425 56.4639 42.4396 177.9024 22 E 4.0326 8.7926 118.1779 58.5575 29.6252 177.9605 23 L 4.4412 7.8695 116.1268 53.5702 42.7618 175.9980 24 S 4.2609 7.7088 111.6591 57.9927 61.1973 172.1889 25 L 4.1474 7.9447 118.1110 53.6420 42.3212 176.4216 26 P 4.4808 0.0000 0.0000 62.5817 33.4898 177.0280 27 D 4.3622 8.7449 118.4676 57.5457 40.9272 178.9634 28 S 4.1815 7.9866 114.5809 61.3854 63.1591 176.5213 29 V 3.5860 7.6184 121.5089 65.3980 31.3440 178.0766 30 V 3.6101 8.0820 118.0126 65.9969 31.4075 177.9214 31 A 4.0700 8.5084 120.9779 55.1184 17.9855 178.9163 32 D 4.0468 8.1605 115.8930 57.4373 41.5701 178.2294 33 L 3.8614 8.1677 119.5970 58.2573 41.4775 179.2436 34 Y 4.1687 7.9311 115.0727 61.2245 38.2111 178.3566 35 N 4.4325 8.4292 117.3537 55.5023 37.9499 177.0944 36 F 3.9707 7.7384 123.0059 61.0553 39.3332 176.5105 37 W 4.7283 7.8208 116.0873 56.7950 29.2882 177.1824 38 K 4.2564 7.9306 120.6042 58.8930 31.3616 176.2760 39 D 4.5983 7.1239 116.3727 53.3652 46.2330 174.5307 40 D 4.2596 7.2986 122.5456 54.0054 43.4458 173.9420 41 Y 4.6565 8.1534 126.3849 55.6362 42.0693 174.5079 42 V 4.1575 7.5942 126.1788 61.1716 32.5346 175.4245 43 M 4.3822 8.9096 125.7957 55.3159 32.0621 176.0574 44 T 4.4432 8.0764 107.3755 61.0602 70.3776 173.3541 45 D 4.6011 8.0589 121.6949 54.3460 42.2617 175.6234 46 R 4.4698 8.1983 115.9171 57.0501 30.6878 178.1402 47 L 4.0073 8.4325 119.7539 57.4133 41.4365 179.1042 48 A 3.9936 8.0245 120.7474 55.0000 18.2875 179.6120 49 G 3.4977 7.9571 103.7296 48.2094 0.0000 176.4081 50 C 4.2873 8.1068 118.4803 59.4978 38.2703 175.9719 51 A 3.9416 8.2124 122.6036 55.2405 17.9912 179.5051 52 I 3.6687 7.8558 118.5556 64.7474 37.0789 178.5049 53 N 4.4215 8.1021 115.9529 55.6432 37.2682 176.1348 54 C 4.3789 7.9147 121.0695 59.6712 41.4103 175.1486 55 L 3.8501 8.3316 120.7815 58.0600 40.9691 179.4435 56 A 4.0728 7.8578 119.4869 54.6575 18.4564 178.7223 57 T 4.2126 7.7031 109.6499 62.9105 67.8977 174.4574 58 K 4.9850 7.7656 119.6779 54.9598 33.5543 178.5187 59 L 3.7938 8.0511 121.3477 57.6057 41.4667 178.0408 60 D 4.3704 8.0104 117.8957 55.1071 39.2782 177.9090 61 V 3.8554 7.2135 118.5522 64.7668 32.4475 177.2185 62 V 3.6049 7.6789 117.2158 64.5634 32.1404 176.1670 63 D 4.7219 7.8597 123.8826 51.4630 41.0938 173.9375 64 P 4.5387 0.0000 0.0000 63.2444 31.8536 177.5689 65 D 4.3365 8.0045 119.1344 56.3163 41.3713 176.4702 66 G 4.2940 7.8412 107.9138 45.9107 0.0000 174.6845 67 N 4.4760 8.9376 118.3090 55.1848 39.0306 175.8559 68 L 3.8621 7.5610 120.9601 55.2595 42.1627 175.2722 69 H 4.8265 8.2048 121.9824 54.2660 33.0871 172.2820 70 H 4.5739 8.8501 117.5997 57.8538 28.5887 175.6029 71 G 4.1101 9.0808 111.7058 46.3746 0.0000 172.8748 72 N 5.0037 8.1060 116.2511 52.5107 39.5940 176.0779 73 A 4.2925 8.2347 119.6776 53.6889 18.2536 180.1347 74 K 3.9688 7.7415 116.4082 59.7343 32.2543 178.9502 75 D 4.4185 8.1748 118.5798 57.4861 40.5495 178.6360 76 F 4.2301 8.2193 119.4249 61.1042 39.7069 176.6472 77 A 4.0245 8.5532 120.8912 55.4006 17.9585 179.3893 78 M 4.3759 8.2826 118.9635 57.9059 31.8933 178.4655 79 K 4.1972 7.9038 114.9330 57.7401 32.3698 176.9156 80 H 4.6613 7.1696 113.7921 54.3250 31.9244 174.5834 81 G 4.4167 8.1246 107.9221 45.2220 0.0000 171.2928 82 A 4.5695 6.9264 120.9605 50.7762 23.2131 174.5936 83 D 5.0211 7.9904 117.9119 51.5349 44.7275 176.6365 84 E 4.2088 8.7538 119.3585 60.3038 29.0122 178.4027 85 T 4.0907 7.8501 115.6411 66.1558 68.5975 176.1002 86 M 4.0806 7.9239 119.4758 58.9600 31.8788 178.9315 87 A 4.1795 8.6695 120.4871 54.7521 18.3904 179.2374 88 Q 4.2190 7.7351 116.8790 58.7485 29.2808 177.6941 89 Q 4.0695 8.5602 119.6988 59.2164 28.8530 179.2446 90 L 4.0597 7.9344 119.5628 57.8174 41.7221 179.4965 91 V 3.5874 7.3877 118.4665 66.3649 31.3186 177.6267 92 D 4.5551 8.3615 117.5507 56.9476 40.9645 178.3437 93 I 3.5306 7.6334 120.7318 64.2546 36.9365 178.2121 94 I 4.0120 7.9571 119.4742 64.5808 37.7170 177.6756 95 H 4.8631 8.1752 117.6967 58.0296 28.7199 177.8414 96 G 3.7141 8.2994 108.2825 48.0358 0.0000 175.2955 97 C 4.4100 8.7850 120.4931 59.2206 34.6556 176.2108 98 E 3.8837 8.6538 119.6242 59.0592 28.9017 179.1964 99 K 4.1075 7.8581 117.8255 58.7772 32.8153 178.7523 100 S 4.2637 8.0579 113.1746 59.3011 63.0834 174.7776 101 A 4.1330 7.0180 125.4231 51.1538 18.6693 175.4988 102 P 4.5341 0.0000 0.0000 61.6028 32.1640 175.9296 103 P 4.4434 0.0000 0.0000 62.1373 28.9748 173.9938 104 N 4.4751 7.9864 122.7543 53.7190 39.9162 173.5828 105 D 4.7517 8.4975 126.8615 52.6889 41.1669 175.4068 106 D 4.8319 8.0521 122.1098 52.3465 44.7257 175.2464 107 K 4.2207 8.6018 120.9403 58.4051 32.9561 179.3039 108 C 4.7956 9.0618 115.5423 58.5715 41.7087 176.2950 109 M 4.0033 8.1688 119.6245 58.1332 31.6446 178.4909 110 K 3.9114 7.9924 119.2842 59.7893 32.3416 178.3937 111 T 3.8814 8.0123 115.5158 66.9770 68.2824 176.1653 112 I 3.6066 7.4817 120.7275 64.4305 37.0645 178.0847 113 D 4.3649 8.0858 119.5494 57.6319 40.6629 179.1685 114 V 3.6651 8.0831 118.3922 65.9461 31.3981 177.9779 115 A 4.1638 8.4444 121.1682 55.3103 18.2590 179.5417 116 M 4.2160 8.6395 116.1532 58.5660 31.3910 177.8447 117 C 4.1866 8.6622 120.0541 59.3845 41.4794 175.0796 118 F 3.9384 8.5698 122.3448 61.5310 38.7418 177.0196 119 K 4.1188 8.0087 117.2988 59.4050 32.2415 178.4301 120 K 4.0231 8.0574 118.7596 59.6608 32.0651 178.9890 121 E 4.0806 8.3041 117.6802 58.4199 29.2080 179.1404 122 I 3.4960 7.5753 120.4549 64.3344 37.0732 177.7242 123 H 4.0829 8.2493 117.6363 58.7455 28.3579 177.5204 124 K 4.1561 7.9025 118.5739 58.9522 32.6755 178.8199 125 L 4.1026 7.3019 120.4545 56.2578 41.4533 177.5875 126 N 4.4267 7.6518 112.3727 53.4910 36.6340 173.7289 127 W 5.1432 7.6433 115.2196 55.1013 30.8337 174.5060 128 V 4.1231 8.7064 118.0109 59.3157 31.8984 173.1067 129 P 4.5248 0.0000 0.0000 62.2292 32.0489 176.9364 130 N 4.5335 8.8133 118.0455 53.6686 40.4857 175.9306 131 M 3.8930 8.7002 121.9684 59.2357 31.9999 178.3259 132 D 4.6840 8.2769 117.9149 57.9299 40.7662 178.6525 133 L 4.1714 7.9071 118.7294 58.2329 42.0957 179.6385 134 V 3.5939 7.9723 118.0699 66.1115 31.5797 178.2794 135 I 3.2410 7.6935 119.6023 63.9426 37.0082 178.8157 136 G 3.4792 8.6979 107.0709 47.3039 0.0000 175.5414 137 E 3.9286 7.9339 121.3746 59.0943 29.7207 178.8457 138 V 3.6030 7.4876 118.6906 65.0560 30.9780 177.6825 139 L 3.8774 7.3699 117.9598 57.5981 41.7440 179.4374 140 A 4.1026 7.8543 119.5947 54.3766 18.0200 178.7271 141 E 4.1372 7.6607 116.8052 57.8027 30.3955 175.9912 142 V 3.7694 7.8632 122.5539 63.0098 31.5914 175.2792 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 8.32 4.46 0.00 3.99 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 2 P 0.00 4.39 0.00 2.28 2.13 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 3 E 7.42 4.73 0.00 1.89 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 2.19 2.29 0.00 4 I 7.43 4.66 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 1.42 0.86 0.92 0.00 0.00 5 M 8.21 4.66 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 6 K 7.65 4.72 0.00 1.67 1.70 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.45 7.81 7 N 7.80 5.01 0.00 2.72 2.69 0.00 0.00 6.99 6.75 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 8 L 8.92 4.14 0.00 1.94 2.06 1.28 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.66 4.20 0.00 3.78 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 10 N 8.20 4.40 0.00 2.77 2.89 0.00 0.00 7.06 7.01 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 11 N 8.16 4.37 0.00 2.96 3.11 0.00 0.00 6.74 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.78 4.24 0.00 3.27 3.13 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 0.00 0.00 0.00 0.00 13 G 8.38 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 14 K 8.47 3.96 0.00 1.87 2.11 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 15 A 8.32 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 M 8.54 3.99 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.72 0.00 17 D 8.55 4.41 0.00 2.98 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 18 Q 8.53 4.04 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 19 C 8.16 4.34 0.00 3.17 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.85 3.87 0.00 1.90 1.98 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 21 D 7.54 4.61 0.00 2.84 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 22 E 8.79 4.03 0.00 2.03 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 0.00 2.35 2.44 0.00 23 L 7.87 4.44 0.00 1.81 1.69 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.71 4.26 0.00 4.01 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 25 L 7.94 4.15 0.00 1.69 1.60 0.98 1.14 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 26 P 0.00 4.48 0.00 2.27 2.18 0.00 3.71 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 2.08 2.02 0.00 27 D 8.74 4.36 0.00 2.74 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 28 S 7.99 4.18 0.00 4.10 4.11 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 29 V 7.62 3.59 2.21 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 1.01 0.00 0.00 0.93 0.00 0.00 30 V 8.08 3.61 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 1.14 0.00 0.00 1.01 0.00 0.00 31 A 8.51 4.07 1.33 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 0.00 0.00 0.00 32 D 8.16 4.05 0.00 2.72 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.17 3.86 0.00 1.94 1.52 0.94 0.76 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 34 Y 7.93 4.17 0.00 3.01 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 35 N 8.43 4.43 0.00 2.37 2.37 0.00 0.00 6.35 7.59 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 36 F 7.74 3.97 0.00 2.80 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 0.00 0.00 0.00 0.00 37 W 7.82 4.73 0.00 3.26 3.28 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 38 K 7.93 4.26 0.00 2.06 1.94 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.49 1.47 7.81 39 D 7.12 4.60 0.00 2.66 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 40 D 7.30 4.26 0.00 2.58 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 41 Y 8.15 4.66 0.00 2.92 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 42 V 7.59 4.16 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 0.72 0.00 0.00 0.79 0.00 0.00 43 M 8.91 4.38 0.00 2.58 2.11 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 44 T 8.08 4.44 4.21 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 1.13 0.00 0.00 45 D 8.06 4.60 0.00 2.67 2.64 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 0.00 0.00 0.00 0.00 46 R 8.20 4.47 0.00 2.03 2.12 0.00 3.01 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 47 L 8.43 4.01 0.00 1.70 1.75 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.02 3.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.96 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 0.00 0.00 0.00 50 C 8.11 4.29 0.00 3.17 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.21 3.94 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 52 I 7.86 3.67 1.98 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.62 0.95 0.00 0.00 53 N 8.10 4.42 0.00 2.85 2.95 0.00 0.00 7.41 7.20 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 54 C 7.91 4.38 0.00 2.99 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 55 L 8.33 3.85 0.00 1.89 1.76 1.09 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.86 4.07 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 57 T 7.70 4.21 4.45 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 1.27 0.00 0.00 58 K 7.77 4.99 0.00 2.02 1.68 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.32 7.81 59 L 8.05 3.79 0.00 1.55 1.54 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.01 4.37 0.00 2.84 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 61 V 7.21 3.86 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 0.93 0.00 0.00 0.97 0.00 0.00 62 V 7.68 3.60 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 -0.59 0.00 0.00 0.71 0.00 0.00 63 D 7.86 4.72 0.00 2.63 2.36 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 64 P 0.00 4.54 0.00 2.21 2.13 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 65 D 8.00 4.34 0.00 2.69 2.85 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 66 G 7.84 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 0.00 0.00 0.00 0.00 67 N 8.94 4.48 0.00 3.02 3.13 0.00 0.00 7.40 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 68 L 7.56 3.86 0.00 0.98 1.35 0.67 -0.42 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 69 H 8.20 4.83 0.00 3.16 3.10 0.00 5.69 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.85 4.57 0.00 3.16 3.22 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.08 4.11 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 0.00 72 N 8.11 5.00 0.00 2.98 2.80 0.00 0.00 7.53 8.72 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 73 A 8.23 4.29 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 74 K 7.74 3.97 0.00 1.91 1.91 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.70 7.81 75 D 8.17 4.42 0.00 2.76 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 76 F 8.22 4.23 0.00 2.91 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.02 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 78 M 8.28 4.38 0.00 2.01 2.29 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 2.63 2.70 0.00 79 K 7.90 4.20 0.00 1.82 1.80 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.80 7.81 80 H 7.17 4.66 0.00 3.11 3.12 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.12 4.42 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 0.00 82 A 6.93 4.57 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 83 D 7.99 5.02 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 4.21 0.00 2.02 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 2.40 2.44 0.00 85 T 7.85 4.09 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 86 M 7.92 4.08 0.00 1.84 2.18 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.29 0.00 87 A 8.67 4.18 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 88 Q 7.74 4.22 0.00 2.30 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 89 Q 8.56 4.07 0.00 2.59 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.84 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 90 L 7.93 4.06 0.00 1.97 2.06 1.23 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.39 3.59 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 0.84 0.00 0.00 1.03 0.00 0.00 92 D 8.36 4.56 0.00 2.97 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 93 I 7.63 3.53 1.18 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.46 0.11 0.00 0.00 94 I 7.96 4.01 2.27 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 1.15 0.00 0.00 95 H 8.18 4.86 0.00 3.18 3.37 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.30 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 0.00 0.00 0.00 97 C 8.79 4.41 0.00 3.15 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 98 E 8.65 3.88 0.00 2.22 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 99 K 7.86 4.11 0.00 1.85 1.91 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.58 7.81 100 S 8.06 4.26 0.00 3.94 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 0.00 101 A 7.02 4.13 1.30 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 0.00 102 P 0.00 4.53 0.00 2.19 2.09 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 103 P 0.00 4.44 0.00 2.20 2.14 0.00 3.78 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 1.98 1.95 0.00 104 N 7.99 4.48 0.00 2.63 2.73 0.00 0.00 7.17 8.47 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 0.00 105 D 8.50 4.75 0.00 2.66 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 0.00 106 D 8.05 4.83 0.00 2.73 2.47 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 0.00 107 K 8.60 4.22 0.00 1.78 1.84 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.39 7.81 108 C 9.06 4.80 0.00 2.86 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 8.17 4.00 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 110 K 7.99 3.91 0.00 1.96 1.93 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.55 7.81 111 T 8.01 3.88 4.41 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 1.22 0.00 0.00 112 I 7.48 3.61 2.04 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.90 0.00 0.00 113 D 8.09 4.36 0.00 2.88 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 0.00 114 V 8.08 3.67 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 1.09 0.00 0.00 115 A 8.44 4.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 8.64 4.22 0.00 2.38 2.38 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 2.70 2.79 0.00 117 C 8.66 4.19 0.00 3.08 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.57 3.94 0.00 3.39 3.32 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 0.00 119 K 8.01 4.12 0.00 1.87 1.95 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.58 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.49 1.52 7.81 120 K 8.06 4.02 0.00 1.99 1.78 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.61 7.81 121 E 8.30 4.08 0.00 1.91 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 2.37 2.39 0.00 122 I 7.58 3.50 2.05 0.00 0.00 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 1.38 1.27 0.77 0.00 0.00 123 H 8.25 4.08 0.00 3.26 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 7.90 4.16 0.00 1.88 1.92 0.00 1.51 0.00 0.00 1.66 0.00 0.00 3.22 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.60 7.81 125 L 7.30 4.10 0.00 1.34 1.22 0.20 1.10 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 0.00 126 N 7.65 4.43 0.00 3.13 3.01 0.00 0.00 6.99 7.64 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 0.00 127 W 7.64 5.14 0.00 3.49 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 0.00 128 V 8.71 4.12 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 0.88 0.00 0.00 0.95 0.00 0.00 129 P 0.00 4.52 0.00 2.16 1.75 0.00 3.46 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.45 0.00 130 N 8.81 4.53 0.00 2.81 2.84 0.00 0.00 7.11 7.73 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 0.00 131 M 8.70 3.89 0.00 1.84 2.11 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.62 0.00 132 D 8.28 4.68 0.00 2.59 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 0.00 133 L 7.91 4.17 0.00 1.95 1.86 0.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.97 3.59 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 1.11 0.00 0.00 1.09 0.00 0.00 135 I 7.69 3.24 1.58 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.19 0.44 0.00 0.00 136 G 8.70 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.93 3.93 0.00 2.30 1.76 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 2.77 2.48 0.00 138 V 7.49 3.60 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 0.96 0.00 0.00 0.96 0.00 0.00 139 L 7.37 3.88 0.00 1.66 1.65 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.85 4.10 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 0.00 141 E 7.66 4.14 0.00 1.97 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 2.37 2.39 0.00 142 V 7.86 3.77 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 0.76 0.00 0.00 0.98 0.00 0.00