NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4470 8.3344 116.7933 58.9203 63.4477 172.1976 1 M 4.7113 7.9515 124.1742 53.5223 36.2396 171.5047 2 Q 4.8738 9.2609 123.8856 54.7709 33.3114 172.9735 3 I 5.0748 8.4325 125.4454 59.6644 42.0242 174.1298 4 F 5.2260 9.2595 122.9335 56.1831 41.4091 175.1940 5 V 4.8391 8.7920 122.3173 61.0711 34.2094 174.0205 6 K 5.0734 8.6307 129.1246 54.9524 35.0191 176.5721 7 T 4.7907 8.2257 117.7356 61.4981 70.6817 174.7384 8 L 4.5795 8.4267 123.4379 55.3429 41.7675 177.2370 9 T 4.2209 7.8519 111.2715 62.4999 69.6608 175.2264 10 G 3.9423 8.6437 109.8764 45.5079 0.0000 174.2837 11 K 3.8322 8.2633 121.9203 57.4790 32.4960 175.4221 12 T 5.3961 8.2808 121.5719 62.1267 72.0737 172.8458 13 I 4.7297 8.3251 115.2504 60.1358 41.6342 173.4643 14 T 4.6816 8.2155 112.5807 59.8356 71.0441 172.9672 15 L 4.6303 8.4755 126.1003 52.7814 44.4431 175.1552 16 E 4.8358 8.6599 124.7248 55.2196 30.1233 175.5262 17 V 4.6052 8.1059 125.7963 59.8023 35.1989 175.0665 18 E 4.1147 8.8218 122.0899 55.6724 29.9022 176.2142 19 P 4.2134 0.0000 0.0000 64.0835 32.2306 177.3672 20 S 4.6415 8.2770 113.9027 57.4678 64.7309 174.1312 21 D 4.9320 7.6905 120.8529 52.2204 43.3668 177.2455 22 T 4.4705 8.2416 113.0326 61.6866 69.6926 175.0126 23 I 3.7283 8.5352 124.0592 64.7458 37.1730 178.7248 24 E 4.0808 8.1807 117.6286 59.1756 29.2600 178.0026 25 N 4.6334 8.0143 115.0266 54.1735 38.6974 175.6746 26 V 4.1304 7.4605 119.4029 64.6157 32.9601 177.2397 27 K 3.9345 8.3131 118.7905 58.8449 31.8706 178.2864 28 A 3.9611 7.7603 120.1189 55.6048 18.2481 179.8209 29 K 4.7105 8.2253 118.1634 59.1545 31.7417 179.7235 30 I 3.6850 7.5533 119.5990 64.4248 37.1699 178.0176 31 Q 4.0905 8.0519 120.3480 59.2482 28.7862 177.7697 32 D 4.3281 7.9926 120.0044 57.3983 40.6834 178.8256 33 K 3.9042 7.8377 118.8832 59.5250 32.4422 178.5632 34 E 4.1916 8.9972 118.2239 58.9564 30.2892 179.0390 35 G 3.9700 8.4617 105.0923 46.0822 0.0000 173.5847 36 I 4.4741 7.3186 111.0601 57.6069 40.3020 173.4163 37 P 4.1771 0.0000 0.0000 62.4418 31.9915 175.0134 38 P 4.4051 0.0000 0.0000 65.8011 31.5602 178.0869 39 D 4.3628 8.2078 116.0314 56.6119 39.2347 177.4138 40 Q 4.1836 8.1891 116.7265 56.7419 28.8289 175.3176 41 Q 5.0759 7.6844 117.9187 54.7266 32.0115 175.4658 42 R 4.6467 8.3106 120.3544 55.6003 34.6538 174.1028 43 L 5.0929 8.6155 124.6506 53.5823 43.9345 175.9836 44 I 5.0208 7.9643 122.8768 59.8939 41.1359 174.2272 45 F 4.5253 9.0212 121.7134 58.3559 43.2735 173.4746 46 A 3.4670 8.8006 125.7801 52.8688 16.0962 177.9742 47 G 3.9428 8.5071 104.2605 46.5180 0.0000 174.0587 48 K 4.5305 8.1162 118.5511 54.5718 35.3799 175.7366 49 Q 4.2591 8.4541 119.9716 55.0608 28.7586 175.7562 50 L 3.8238 8.3593 125.7170 54.6834 42.2808 176.9228 51 E 4.4615 8.8385 122.0383 55.1937 30.8938 177.0812 52 D 4.4677 9.2574 123.7470 57.3733 40.7408 178.0802 53 G 3.6501 7.3503 108.2408 48.1898 0.0000 174.4332 54 R 3.9879 7.7942 118.5232 55.7338 30.8262 176.3144 55 T 4.7770 8.5302 110.4195 59.8354 71.5363 175.6992 56 L 3.9889 8.5143 120.8437 58.0216 41.2603 180.2908 57 S 4.1888 7.9814 112.5662 61.0524 63.3547 176.2227 58 D 4.1539 7.6814 120.6831 57.6048 40.4738 176.8093 59 Y 4.5294 7.6776 113.3352 57.7096 37.7182 174.8248 60 N 4.2772 7.6826 115.8431 54.4918 37.8442 174.2915 61 I 3.5780 7.3526 116.8470 60.8222 37.5163 175.5392 62 Q 4.7665 8.1816 122.9749 53.3269 32.4274 174.9060 63 K 4.0004 8.4178 118.7411 58.1350 32.5691 176.3911 64 E 4.1147 9.0466 121.8482 57.1611 28.2068 174.7582 65 S 4.4256 7.8099 113.5513 58.8883 64.0866 172.9592 66 T 4.8096 8.6163 117.1166 60.4722 68.8652 172.5408 67 L 4.9567 8.9094 129.7808 53.4679 44.1740 176.1873 68 H 5.1260 8.7097 120.1300 55.0768 30.9367 174.1250 69 L 4.9481 8.3892 121.7868 53.5140 44.7883 175.5762 70 V 4.4566 8.6373 126.1714 61.0777 34.1176 174.1293 71 L 4.7458 8.4864 127.4647 53.8832 42.9049 176.7467 72 R 4.3515 8.6988 122.8250 55.5131 31.0923 176.6642 73 L 4.2001 8.4794 119.7719 56.6168 42.2862 177.9112 74 R 4.7196 7.6942 115.8309 55.2241 32.0084 177.0395 75 G 4.0676 8.4457 107.9352 45.4213 0.0000 171.7977 76 G 3.9662 7.6393 110.1802 45.9004 0.0000 170.1139 77 M 4.6423 7.4655 115.7448 52.9242 34.7977 174.3637 78 Q 5.1972 8.6590 124.1659 54.0224 33.1027 174.2604 79 I 5.0644 8.0768 114.4708 59.1657 41.7486 173.7998 80 F 5.4009 8.9626 119.5437 55.7432 43.0128 174.8031 81 V 4.8692 8.7973 120.1027 61.1264 35.5610 174.0199 82 K 5.0451 8.3788 129.0629 54.8504 33.8650 176.1803 83 T 4.4121 8.8776 118.8833 60.6842 69.7591 175.5030 84 L 4.1415 8.4153 121.1406 56.8163 41.5312 178.1774 85 T 4.2510 7.3563 107.1719 61.2307 69.5448 175.7303 86 G 4.0275 8.1780 110.2628 44.7304 0.0000 173.9937 87 K 4.1131 7.8552 122.1349 57.0373 33.3493 175.5109 88 T 5.3758 8.5188 122.8798 61.8042 71.1568 173.4894 89 I 4.8972 8.8958 118.6294 59.3770 41.5218 173.9245 90 T 4.5959 8.4282 113.6479 59.9625 70.9567 173.4858 91 L 4.6938 8.2734 124.2018 52.8896 45.0572 175.4470 92 E 4.3961 8.6638 122.8544 55.9871 30.0633 175.6615 93 V 4.7253 8.1271 119.1437 60.2240 35.6484 174.6965 94 E 4.7410 8.4923 117.9576 54.8876 33.8754 174.6293 95 P 4.2210 0.0000 0.0000 65.6658 31.7010 179.3269 96 S 4.0322 8.1531 111.8624 60.9626 63.2569 173.7051 97 D 4.2375 7.6258 121.1453 54.6086 40.5175 176.7884 98 T 4.4010 8.3173 118.1720 61.4441 69.6773 174.7018 99 I 3.8171 8.2235 123.8130 63.5833 36.9994 177.9642 100 E 3.8945 8.0508 119.8726 59.5378 29.2576 178.5409 101 N 4.2497 8.1177 115.3156 57.3374 38.8086 176.7808 102 V 3.5559 7.5972 119.2776 65.7336 31.2211 177.6508 103 K 4.3517 8.4758 122.0206 59.3401 32.5003 178.8707 104 A 4.0831 7.7690 121.1668 55.1732 17.9966 179.7620 105 K 3.8346 8.6356 117.0866 59.5912 32.0008 179.6222 106 I 3.5434 7.7650 120.5882 64.1344 36.8548 178.2957 107 Q 4.0677 8.3210 119.0040 59.0824 28.3926 177.7726 108 D 4.3046 7.5629 118.6825 56.1605 41.1377 176.8905 109 K 4.3890 7.7930 115.4976 58.2142 34.0451 177.6830 110 E 4.2190 8.3127 117.0989 56.8795 29.7274 177.5993 111 G 4.1319 8.0882 108.1572 45.3875 0.0000 173.5274 112 I 3.5418 7.6482 119.1766 60.6208 37.2345 173.5365 113 P 4.4195 0.0000 0.0000 61.7025 31.8542 175.7485 114 P 4.1633 0.0000 0.0000 64.9996 31.2144 176.5965 115 D 4.3741 7.8863 119.0184 56.4701 41.4641 177.1326 116 Q 4.4272 7.6627 116.6873 56.3437 29.9374 175.6309 117 Q 4.3521 7.5905 117.4898 56.2866 30.1390 175.5012 118 R 4.5704 8.2178 121.4148 55.5833 33.2364 173.2897 119 L 5.6197 8.5292 127.0953 52.5309 44.0654 175.5255 120 I 4.7782 8.4336 125.1651 59.6723 39.7926 174.4845 121 F 4.8510 9.3062 131.2609 56.0370 40.8482 175.3394 122 A 3.6351 9.0978 131.6915 52.9991 15.6782 175.5472 123 G 4.2937 7.9581 111.5725 45.2221 0.0000 173.7927 124 K 4.0620 7.6562 118.3892 56.2008 32.5899 175.9689 125 Q 4.8141 8.4309 124.3220 54.6230 29.0602 175.2181 126 L 3.8989 8.5588 127.2012 54.7789 42.6671 176.5349 127 E 4.7438 9.3674 121.4883 54.4071 32.4782 176.3667 128 D 4.4603 10.6100 126.9005 57.1003 41.0803 178.5288 129 G 3.6640 7.6271 108.0674 48.4379 0.0000 174.7916 130 R 4.2197 7.8437 119.0337 55.5214 30.9321 176.2285 131 T 4.8789 8.3195 110.4041 60.3652 71.2433 175.4959 132 L 4.1075 8.4427 120.6134 58.2605 41.4822 179.3963 133 S 4.1047 7.9299 112.7509 61.9186 61.9535 176.1342 134 D 4.3581 7.7554 119.4951 56.6510 40.5551 177.2637 135 Y 4.4030 7.8275 114.6417 56.3489 39.1687 174.7566 136 N 4.1729 7.9220 117.4678 54.5195 37.7518 174.4719 137 I 3.9136 7.4555 117.8112 60.4009 38.3389 176.4928 138 Q 4.4905 7.9438 123.6499 53.8161 30.4125 175.5139 139 K 3.8258 8.3711 118.7202 57.6693 32.4879 177.3183 140 E 4.0968 9.0379 118.8721 57.0233 29.2189 174.3121 141 S 4.6328 7.6828 114.1525 59.6639 64.7429 173.3892 142 T 4.8579 8.4194 116.2062 62.0664 70.8273 174.4369 143 L 4.5199 9.4878 127.3814 55.0324 43.4208 175.9481 144 H 5.0505 8.7689 117.0376 53.9852 33.0717 172.5582 145 L 5.8469 8.1005 120.1667 52.6522 44.7507 175.7595 146 V 4.5998 8.4033 117.8450 59.5528 36.0849 176.1705 147 L 4.5465 8.2698 121.3875 54.1735 39.1719 176.4794 148 R 4.1672 7.7700 125.0751 57.1424 30.2727 174.9910 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 0 S 8.33 4.45 0.00 3.87 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 1 M 7.95 4.71 0.00 2.31 1.83 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 2 Q 9.26 4.87 0.00 2.06 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 3 I 8.43 5.07 1.87 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 1.25 0.85 1.04 0.00 0.00 4 F 9.26 5.23 0.00 3.10 2.98 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 5 V 8.79 4.84 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 0.93 0.00 0.00 6 K 8.63 5.07 0.00 1.87 1.63 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.49 7.81 7 T 8.23 4.79 4.26 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 1.23 0.00 0.00 8 L 8.43 4.58 0.00 1.63 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.85 4.22 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 1.22 0.00 0.00 10 G 8.64 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 0.00 0.00 0.00 11 K 8.26 3.83 0.00 1.79 1.74 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.59 7.81 12 T 8.28 5.40 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 1.49 0.00 0.00 13 I 8.33 4.73 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.57 0.91 0.00 0.00 14 T 8.22 4.68 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.48 4.63 0.00 1.61 1.55 0.88 0.41 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 16 E 8.66 4.84 0.00 1.91 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 2.22 2.41 0.00 17 V 8.11 4.61 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 0.73 0.00 0.00 0.95 0.00 0.00 18 E 8.82 4.11 0.00 2.47 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 2.38 2.26 0.00 19 P 0.00 4.21 0.00 2.02 2.10 0.00 3.69 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 2.03 2.13 0.00 20 S 8.28 4.64 0.00 3.75 3.75 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 21 D 7.69 4.93 0.00 2.70 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 22 T 8.24 4.47 4.48 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 1.27 0.00 0.00 23 I 8.54 3.73 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.32 0.97 0.00 0.00 24 E 8.18 4.08 0.00 2.19 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 2.62 2.40 0.00 25 N 8.01 4.63 0.00 3.03 2.90 0.00 0.00 6.79 7.17 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 26 V 7.46 4.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.00 0.00 0.00 27 K 8.31 3.93 0.00 1.83 1.94 0.00 2.03 0.00 0.00 1.98 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.41 7.81 28 A 7.76 3.96 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 29 K 8.23 4.71 0.00 1.90 1.86 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.52 7.81 30 I 7.55 3.68 2.15 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 1.52 0.98 0.91 0.00 0.00 31 Q 8.05 4.09 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 32 D 7.99 4.33 0.00 3.02 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 33 K 7.84 3.90 0.00 1.75 1.81 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.46 7.81 34 E 9.00 4.19 0.00 1.96 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 2.32 2.46 0.00 35 G 8.46 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.32 4.47 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.91 0.00 0.00 37 P 0.00 4.18 0.00 2.29 2.12 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 38 P 0.00 4.41 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 39 D 8.21 4.36 0.00 2.75 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 40 Q 8.19 4.18 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.76 0.00 0.00 0.00 0.00 0.00 2.54 2.31 0.00 41 Q 7.68 5.08 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 42 R 8.31 4.65 0.00 1.66 1.79 0.00 3.27 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 43 L 8.62 5.09 0.00 1.59 1.59 0.93 0.87 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 44 I 7.96 5.02 1.91 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 1.14 1.51 0.91 0.00 0.00 45 F 9.02 4.53 0.00 3.13 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.80 3.47 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 47 G 8.51 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 0.00 0.00 0.00 48 K 8.12 4.53 0.00 1.83 1.86 0.00 1.43 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.34 7.81 49 Q 8.45 4.26 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 50 L 8.36 3.82 0.00 1.46 1.47 0.84 0.17 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 51 E 8.84 4.46 0.00 2.10 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 0.00 2.59 2.46 0.00 52 D 9.26 4.47 0.00 2.68 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 53 G 7.35 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 0.00 0.00 0.00 54 R 7.79 3.99 0.00 1.90 1.73 0.00 3.12 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 55 T 8.53 4.78 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 1.19 0.00 0.00 56 L 8.51 3.99 0.00 1.71 1.70 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.98 4.19 0.00 3.96 4.28 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 58 D 7.68 4.15 0.00 2.46 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 59 Y 7.68 4.53 0.00 2.81 2.86 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 60 N 7.68 4.28 0.00 2.97 3.06 0.00 0.00 7.10 7.82 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 61 I 7.35 3.58 1.80 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.32 0.83 0.00 0.00 62 Q 8.18 4.77 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.57 0.00 63 K 8.42 4.00 0.00 1.85 1.71 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.58 7.81 64 E 9.05 4.11 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 65 S 7.81 4.43 0.00 4.13 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 0.00 66 T 8.62 4.81 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 1.18 0.00 0.00 67 L 8.91 4.96 0.00 1.91 1.63 0.91 1.26 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 68 H 8.71 5.13 0.00 3.11 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.39 4.95 0.00 1.59 1.52 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.64 4.46 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 0.92 0.00 0.00 0.93 0.00 0.00 71 L 8.49 4.75 0.00 1.55 1.57 0.92 0.95 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 72 R 8.70 4.35 0.00 1.75 1.89 0.00 3.15 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 73 L 8.48 4.20 0.00 1.62 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.69 4.72 0.00 1.78 1.84 0.00 3.20 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 75 G 8.45 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 0.00 0.00 0.00 76 G 7.64 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 M 7.47 4.64 0.00 2.21 1.91 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 78 Q 8.66 5.20 0.00 1.91 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.44 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 79 I 8.08 5.06 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.87 0.00 0.00 80 F 8.96 5.40 0.00 3.16 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 81 V 8.80 4.87 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 0.95 0.00 0.00 0.93 0.00 0.00 82 K 8.38 5.05 0.00 1.70 1.52 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.34 7.81 83 T 8.88 4.41 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 1.22 0.00 0.00 84 L 8.42 4.14 0.00 1.66 1.78 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.36 4.25 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 1.22 0.00 0.00 86 G 8.18 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.86 4.11 0.00 1.81 1.70 0.00 1.59 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.45 7.81 88 T 8.52 5.38 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 1.34 0.00 0.00 89 I 8.90 4.90 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.95 0.99 0.00 0.00 90 T 8.43 4.60 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 0.89 0.00 0.00 91 L 8.27 4.69 0.00 1.52 1.48 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.66 4.40 0.00 1.80 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 2.21 2.23 0.00 93 V 8.13 4.73 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 0.64 0.00 0.00 0.87 0.00 0.00 94 E 8.49 4.74 0.00 2.10 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 2.28 2.31 0.00 95 P 0.00 4.22 0.00 2.17 2.09 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 96 S 8.15 4.03 0.00 3.97 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 97 D 7.63 4.24 0.00 3.15 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 98 T 8.32 4.40 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 1.21 0.00 0.00 99 I 8.22 3.82 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.90 0.91 0.00 0.00 100 E 8.05 3.89 0.00 2.00 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 0.00 2.34 2.51 0.00 101 N 8.12 4.25 0.00 2.83 2.87 0.00 0.00 6.55 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.60 3.56 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 1.00 0.00 0.00 0.93 0.00 0.00 103 K 8.48 4.35 0.00 2.05 1.94 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.86 1.40 7.81 104 A 7.77 4.08 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 0.00 105 K 8.64 3.83 0.00 1.83 1.85 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.75 7.81 106 I 7.77 3.54 2.10 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 1.56 0.76 0.90 0.00 0.00 107 Q 8.32 4.07 0.00 2.33 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 108 D 7.56 4.30 0.00 2.55 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 0.00 109 K 7.79 4.39 0.00 1.72 1.79 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.32 1.61 7.81 110 E 8.31 4.22 0.00 2.05 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 2.32 2.46 0.00 111 G 8.09 4.13 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 0.00 0.00 0.00 112 I 7.65 3.54 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.57 0.91 0.00 0.00 113 P 0.00 4.42 0.00 2.21 2.17 0.00 3.88 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.98 0.00 114 P 0.00 4.16 0.00 2.05 2.19 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 115 D 7.89 4.37 0.00 2.76 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 0.00 116 Q 7.66 4.43 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 117 Q 7.59 4.35 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 118 R 8.22 4.57 0.00 1.90 1.81 0.00 3.32 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 119 L 8.53 5.62 0.00 1.56 1.52 0.86 0.97 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 0.00 120 I 8.43 4.78 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.88 0.89 0.00 0.00 121 F 9.31 4.85 0.00 3.01 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 0.00 122 A 9.10 3.64 0.70 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 0.00 123 G 7.96 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 0.00 124 K 7.66 4.06 0.00 2.20 1.92 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.44 7.81 125 Q 8.43 4.81 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.03 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 126 L 8.56 3.90 0.00 1.30 0.83 0.66 0.63 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 0.00 127 E 9.37 4.74 0.00 2.10 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 2.24 2.36 0.00 128 D 10.61 4.46 0.00 2.73 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 0.00 129 G 7.63 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.84 4.22 0.00 2.08 1.90 0.00 3.12 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 131 T 8.32 4.88 4.47 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 1.26 0.00 0.00 132 L 8.44 4.11 0.00 1.93 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 133 S 7.93 4.10 0.00 3.92 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 0.00 134 D 7.76 4.36 0.00 2.78 2.44 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 0.00 135 Y 7.83 4.40 0.00 2.83 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 0.00 136 N 7.92 4.17 0.00 2.92 2.97 0.00 0.00 7.09 7.24 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 0.00 137 I 7.46 3.91 1.64 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.23 0.61 0.00 0.00 138 Q 7.94 4.49 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 139 K 8.37 3.83 0.00 1.85 1.80 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.48 7.81 140 E 9.04 4.10 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 141 S 7.68 4.63 0.00 3.85 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 0.00 142 T 8.42 4.86 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 1.20 0.00 0.00 143 L 9.49 4.52 0.00 1.66 1.63 0.86 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 0.00 144 H 8.77 5.05 0.00 3.23 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.10 5.85 0.00 1.84 1.50 0.97 0.88 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 0.00 146 V 8.40 4.60 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 0.82 0.00 0.00 0.94 0.00 0.00 147 L 8.27 4.55 0.00 1.71 1.68 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 148 R 7.77 4.17 0.00 1.75 1.79 0.00 3.44 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00