NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7798 8.3027 117.8191 55.2175 30.9981 174.4657 3 L 3.5076 7.8772 123.2752 57.8192 41.8372 177.3849 4 K 3.9742 8.1662 118.1517 59.5197 32.3626 178.3723 5 E 3.9423 8.0996 119.0346 59.1108 29.5429 178.6564 6 K 3.7708 8.5350 118.9216 59.5476 31.9211 179.3884 7 I 3.8632 8.0117 120.2236 64.8130 37.0978 178.6297 8 T 3.8749 8.3211 116.7502 66.7914 67.9809 176.6104 9 T 4.1448 7.8278 118.3563 66.0940 68.8527 176.3284 10 I 3.9242 7.6102 121.2562 64.6718 37.0310 178.7017 11 I 3.7629 7.8826 119.4677 63.8257 37.2670 177.5710 12 Q 4.4248 8.5858 117.3527 57.9356 29.1869 175.9351 13 G 4.1588 7.9155 115.7457 45.1611 0.0000 173.7751 14 Q 4.1048 8.5964 124.9286 56.5255 29.6087 176.9489 15 R 4.2018 8.3540 121.4812 57.8506 30.8932 177.0567 16 T 4.3476 7.7384 115.8188 62.9068 69.4767 174.2369 17 G 4.1540 8.7477 115.0141 44.2170 0.0000 169.8283 18 V 4.8392 8.5308 119.0629 60.9672 34.5424 175.2942 19 L 5.1497 9.1032 130.5412 53.7163 43.9797 174.9771 20 S 5.5138 9.3113 123.1965 57.1029 65.9605 173.3690 21 T 4.9145 8.9953 113.0080 60.2163 72.9577 172.2097 22 V 4.6462 8.2905 121.1727 61.2233 33.5652 175.1259 23 R 4.3145 9.1000 127.5346 55.0850 31.3567 174.5904 24 N 4.3747 9.4380 125.3762 54.5396 35.9461 174.4471 25 D 4.5412 8.4463 111.1533 54.8744 40.0588 172.8037 26 K 4.7179 7.6585 115.0223 53.1945 36.0092 173.9764 27 P 4.9934 0.0000 0.0000 63.1292 32.6306 175.0139 28 H 4.9013 9.1773 120.8256 54.8095 33.3664 172.1790 29 S 5.2216 8.2674 119.8339 56.7845 66.7523 173.1638 30 A 4.5327 8.5434 123.4708 49.9669 22.6698 175.7495 31 F 5.2259 8.1898 119.2816 57.1593 39.9730 175.0018 *34 F 4.2279 8.4139 119.6701 57.5097 40.1332 174.4791 35 F 4.9186 8.6735 122.0408 56.3374 42.2424 173.6863 36 H 5.4627 8.2429 112.9266 55.3203 31.2447 173.4561 37 E 4.6621 9.3535 119.1873 55.4785 32.6352 176.4501 38 D 3.9171 8.3270 126.0708 55.9091 40.0354 175.1554 39 F 4.6945 8.7323 126.2343 58.3994 39.2112 175.0526 40 V 4.1479 7.9713 123.2763 62.3656 32.5175 175.0223 41 L 5.2429 8.3880 127.4244 53.7453 44.4458 175.1336 42 Y 5.3352 8.9928 118.2726 56.4261 42.7201 174.4833 43 V 4.7146 8.9011 121.9933 60.9975 34.9613 174.0282 44 A 5.2104 8.8862 129.2363 51.7663 20.1264 176.1070 45 T 4.5321 8.9552 115.9687 61.1093 72.0389 171.4516 46 D 5.4123 8.6320 122.5871 53.2376 42.1149 177.5540 47 R 4.0667 9.0606 122.2133 58.6608 29.6379 177.3276 48 Q 4.3871 8.3638 116.6542 55.7537 29.2815 176.1424 49 S 4.2556 8.0603 115.9635 58.6797 63.5939 175.8762 50 K 4.0335 8.6500 123.2024 59.3982 31.7453 179.8238 51 K 4.2606 7.9914 118.5529 59.3562 31.8615 179.2397 52 I 3.7386 7.5526 119.7585 64.6993 36.8261 178.5313 53 T 4.0549 7.8330 114.9193 66.5892 68.5176 175.8474 54 D 4.5166 8.5420 121.1820 57.6311 40.5266 179.0161 55 I 3.9258 7.7759 121.3244 63.9874 36.8949 178.0935 56 E 4.0108 8.2489 118.6630 59.5634 29.3642 178.6701 57 N 4.8187 8.0570 114.5919 53.4692 39.1229 175.1468 58 N 4.6575 7.4756 117.8684 52.0861 41.8481 172.5071 59 P 4.6253 0.0000 0.0000 63.8087 32.9001 175.4285 60 N 5.0619 8.4732 119.7060 53.4683 39.0378 174.9165 61 V 4.8140 9.0268 116.3244 59.8660 36.8356 173.9009 62 H 5.2359 9.0462 120.8600 54.5306 33.4666 172.1224 63 V 4.9058 8.6536 124.6469 61.0206 34.7532 173.8502 64 L 5.2155 8.4402 127.2429 52.9189 44.2230 175.2876 65 L 4.6268 9.1040 125.2018 54.1808 45.2943 175.4210 66 G 3.6426 8.9844 115.0344 45.5703 0.0000 174.1597 67 R 4.2948 7.5431 116.3407 54.7811 30.4079 175.6088 *71 K 4.1127 8.0910 116.2889 56.0783 33.0522 177.5657 72 L 4.2303 8.5719 121.9880 57.1982 41.7940 177.4588 73 D 5.0210 7.1904 118.7063 53.8778 41.3960 176.4948 74 E 4.3050 8.0551 117.7157 56.1254 30.4451 176.6989 75 D 4.8948 8.4477 121.7405 54.9221 42.2701 174.7300 76 Y 4.8829 7.8766 118.3410 56.5944 42.0413 172.7640 77 I 5.0323 9.0192 112.5023 59.1348 41.4207 174.2304 78 E 5.2599 9.0591 122.1027 54.6148 33.0403 175.1499 79 V 4.8218 8.7848 123.5867 61.0963 34.8968 173.7892 80 E 5.0745 8.6012 127.1808 54.8424 32.3141 175.6204 81 G 4.2693 8.1269 109.2657 46.7768 0.0000 171.4798 82 L 5.2899 8.1118 118.8122 53.2095 43.7358 176.0717 83 A 5.4308 8.8961 125.3137 50.6471 21.4950 175.8471 84 S 4.7182 8.7839 113.7249 57.1676 67.4922 172.3962 85 I 4.9220 8.2799 120.2284 59.7396 38.8222 175.1364 86 E 4.6674 9.5310 127.3062 54.3679 32.2371 175.7880 87 E 4.6460 8.7538 124.4477 55.6999 30.7365 175.7621 88 D 4.2726 8.2871 119.8888 54.9606 41.9311 177.3204 89 S 4.0076 8.6627 123.3193 61.8788 62.9018 176.8205 90 T 3.7378 7.7142 117.9271 66.6230 68.2907 176.6187 91 L 3.4194 8.2885 121.1956 57.3440 41.4229 179.6429 92 K 3.9339 7.8003 119.8125 59.0714 31.7249 179.2043 93 N 4.4553 8.1205 115.7037 55.8603 38.4693 177.1500 94 K 3.8976 7.5880 120.5519 59.2070 32.3530 178.2321 95 F 4.5348 7.3938 115.1216 56.8185 39.5717 176.1824 96 W 4.2298 7.2511 129.4236 57.8647 31.1977 174.3813 97 N 4.4994 6.3627 119.9778 50.7651 39.3918 174.8845 98 N 4.3501 8.3116 115.2484 55.4775 38.1653 177.7227 99 S 4.0777 8.0452 117.1279 61.1467 62.7925 175.8864 100 L 4.3897 7.3903 120.5524 56.1984 41.0757 178.7548 101 K 4.9912 7.3238 119.5163 57.9866 32.0013 178.7832 102 R 3.6194 6.8731 117.8655 57.7242 29.7558 177.1742 103 W 4.9019 7.8812 115.6463 56.1972 31.5775 175.3522 104 L 4.9715 7.5588 117.0578 53.0141 45.3481 177.0667 105 L 4.0800 9.4618 122.7626 57.1485 41.9627 177.6027 106 R 3.5870 7.0475 112.5980 54.4929 30.9424 173.2343 107 P 3.7992 0.0000 0.0000 65.4417 31.0771 177.0266 108 E 4.1551 7.6327 115.7998 56.1980 29.9277 175.8153 109 D 4.3583 8.0511 121.2321 53.7364 41.4025 175.4041 110 P 4.2853 0.0000 0.0000 65.7113 31.4690 176.8954 111 N 4.6434 8.8505 116.1143 54.9102 39.5453 174.2526 112 Y 5.0523 8.3647 122.6095 57.5250 39.9586 174.7742 113 V 4.4843 9.1718 118.9986 59.6738 36.9333 174.1543 114 L 5.3816 8.7292 121.5736 53.3303 44.4817 175.9250 115 I 4.6752 9.0952 124.5610 60.3172 38.8998 174.5147 116 K 4.5047 9.2241 129.5528 54.7926 34.3512 174.8918 117 I 4.7785 8.4785 128.7258 59.6684 39.8034 174.6210 118 N 4.8286 8.8575 126.6518 51.2132 39.3474 173.1506 119 P 4.5541 0.0000 0.0000 63.1302 32.0370 175.8379 120 D 4.9247 9.2644 122.2806 55.2840 43.0577 176.7924 121 T 4.8858 7.5955 113.7563 61.6442 72.9342 173.0330 122 I 4.8118 8.5855 126.7543 59.7215 40.2777 174.0490 123 Y 5.0646 9.0236 125.5683 56.7655 40.2429 173.9379 124 Y 4.7789 9.1675 125.4641 55.9298 41.3345 174.2178 125 I 3.9321 7.9896 128.2474 61.9450 39.2251 176.1945 126 D 4.9976 8.2019 129.9375 54.1489 37.6002 173.8030 *133 P 4.2505 0.0000 0.0000 62.3694 32.9854 176.7363 134 E 4.6492 8.2172 119.0543 56.1918 31.0323 175.5870 135 F 5.3533 7.7950 115.2312 55.3215 41.5949 173.1562 136 L 4.5870 8.8372 122.1223 53.3603 44.4096 175.0893 137 R 4.9516 8.5457 124.8997 54.7000 32.0408 176.3019 138 L 4.3803 8.6738 122.6981 54.8509 42.4453 176.4207 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 H 8.30 4.78 0.00 3.16 3.31 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.88 3.51 0.00 1.70 1.54 0.80 0.21 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 4 K 8.17 3.97 0.00 1.91 2.11 0.00 1.82 0.00 0.00 2.01 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.47 7.81 5 E 8.10 3.94 0.00 2.04 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 2.34 2.39 0.00 6 K 8.53 3.77 0.00 1.39 0.74 0.00 1.35 0.00 0.00 0.62 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.15 1.38 7.81 7 I 8.01 3.86 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.74 1.09 0.00 0.00 8 T 8.32 3.87 4.39 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 1.16 0.00 0.00 9 T 7.83 4.14 4.49 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 1.25 0.00 0.00 10 I 7.61 3.92 2.11 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 1.95 1.32 0.99 0.00 0.00 11 I 7.88 3.76 1.81 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.58 0.67 0.00 0.00 12 Q 8.59 4.42 0.00 2.26 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 13 G 7.92 4.16 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 0.00 14 Q 8.60 4.10 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 15 R 8.35 4.20 0.00 1.77 1.79 0.00 3.17 0.00 0.00 2.61 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 16 T 7.74 4.35 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 1.29 0.00 0.00 17 G 8.75 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.53 4.84 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.85 0.00 0.00 19 L 9.10 5.15 0.00 1.96 1.53 1.05 0.61 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 20 S 9.31 5.51 0.00 3.78 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 21 T 9.00 4.91 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 1.23 0.00 0.00 22 V 8.29 4.65 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 0.78 0.00 0.00 0.93 0.00 0.00 23 R 9.10 4.31 0.00 1.97 1.75 0.00 3.24 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 24 N 9.44 4.37 0.00 2.89 2.86 0.00 0.00 7.14 8.06 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 25 D 8.45 4.54 0.00 2.79 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 26 K 7.66 4.72 0.00 1.97 1.61 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.54 7.81 27 P 0.00 4.99 0.00 2.04 2.02 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 28 H 9.18 4.90 0.00 3.15 3.10 0.00 5.52 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.27 5.22 0.00 3.53 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 30 A 8.54 4.53 1.14 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 0.00 0.00 31 F 8.19 5.23 0.00 2.99 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 *34 F 8.41 4.23 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.67 4.92 0.00 1.89 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 0.00 0.00 0.00 36 H 8.24 5.46 0.00 3.36 3.33 0.00 5.47 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 37 E 9.35 4.66 0.00 2.43 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 38 D 8.33 3.92 0.00 2.80 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 0.00 0.00 0.00 39 F 8.73 4.69 0.00 3.10 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 40 V 7.97 4.15 2.35 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 0.74 0.00 0.00 1.00 0.00 0.00 41 L 8.39 5.24 0.00 1.77 1.83 0.83 0.63 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 42 Y 8.99 5.34 0.00 2.69 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 43 V 8.90 4.71 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 0.68 0.00 0.00 0.12 0.00 0.00 44 A 8.89 5.21 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 45 T 8.96 4.53 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 46 D 8.63 5.41 0.00 2.97 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 47 R 9.06 4.07 0.00 1.98 2.11 0.00 3.14 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 48 Q 8.36 4.39 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 49 S 8.06 4.26 0.00 3.99 3.78 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 50 K 8.65 4.03 0.00 1.73 1.79 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.52 7.81 51 K 7.99 4.26 0.00 1.73 1.84 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.43 7.81 52 I 7.55 3.74 2.02 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 1.53 1.01 0.95 0.00 0.00 53 T 7.83 4.05 4.37 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 1.21 0.00 0.00 54 D 8.54 4.52 0.00 2.82 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 55 I 7.78 3.93 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 1.55 2.00 0.92 0.00 0.00 56 E 8.25 4.01 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 57 N 8.06 4.82 0.00 2.81 2.86 0.00 0.00 6.76 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 58 N 7.48 4.66 0.00 2.72 2.63 0.00 0.00 6.80 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 59 P 0.00 4.63 0.00 2.16 2.28 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 60 N 8.47 5.06 0.00 2.74 2.82 0.00 0.00 6.70 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 9.03 4.81 2.20 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 0.97 0.00 0.00 1.03 0.00 0.00 62 H 9.05 5.24 0.00 3.18 3.08 0.00 5.52 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.65 4.91 1.91 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 0.28 0.00 0.00 0.99 0.00 0.00 64 L 8.44 5.22 0.00 1.59 1.49 0.89 0.53 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 65 L 9.10 4.63 0.00 1.30 1.26 0.78 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.98 3.64 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 0.00 0.00 0.00 67 R 7.54 4.29 0.00 1.77 1.65 0.00 2.73 0.00 0.00 2.97 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 *71 K 8.09 4.11 0.00 1.87 1.81 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 72 L 8.57 4.23 0.00 1.64 1.74 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.19 5.02 0.00 2.85 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 74 E 8.06 4.30 0.00 1.99 1.91 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 2.33 2.44 0.00 75 D 8.45 4.89 0.00 2.63 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.88 4.88 0.00 3.24 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 77 I 9.02 5.03 1.98 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 1.40 0.80 1.06 0.00 0.00 78 E 9.06 5.26 0.00 2.13 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 0.00 2.35 2.27 0.00 79 V 8.78 4.82 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 1.04 0.00 0.00 0.88 0.00 0.00 80 E 8.60 5.07 0.00 1.96 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 2.36 2.39 0.00 81 G 8.13 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.11 5.29 0.00 1.65 1.58 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.90 5.43 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.78 4.72 0.00 3.88 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.28 4.92 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 1.25 0.91 0.95 0.00 0.00 86 E 9.53 4.67 0.00 2.17 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 2.37 2.33 0.00 87 E 8.75 4.65 0.00 1.93 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 2.18 2.24 0.00 88 D 8.29 4.27 0.00 2.95 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 89 S 8.66 4.01 0.00 3.83 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 90 T 7.71 3.74 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 1.09 0.00 0.00 91 L 8.29 3.42 0.00 1.40 1.24 0.67 0.29 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 92 K 7.80 3.93 0.00 1.64 1.35 0.00 1.24 0.00 0.00 1.62 0.00 0.00 2.50 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.30 1.04 7.81 93 N 8.12 4.46 0.00 2.65 2.85 0.00 0.00 7.03 8.36 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 94 K 7.59 3.90 0.00 1.49 1.14 0.00 1.51 0.00 0.00 1.04 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.91 1.25 7.81 95 F 7.39 4.53 0.00 2.76 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 96 W 7.25 4.23 0.00 3.58 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 97 N 6.36 4.50 0.00 2.85 2.80 0.00 0.00 6.27 6.96 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 98 N 8.31 4.35 0.00 2.70 2.85 0.00 0.00 6.81 7.57 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 99 S 8.05 4.08 0.00 4.00 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 0.00 100 L 7.39 4.39 0.00 0.66 1.50 0.57 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.32 4.99 0.00 1.80 1.85 0.00 1.86 0.00 0.00 1.60 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.75 1.43 7.81 102 R 6.87 3.62 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.52 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.13 0.00 103 W 7.88 4.90 0.00 3.48 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 0.00 104 L 7.56 4.97 0.00 2.05 1.70 0.86 0.88 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 0.00 105 L 9.46 4.08 0.00 1.67 1.72 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.05 3.59 0.00 1.68 1.81 0.00 2.89 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.37 0.00 107 P 0.00 3.80 0.00 2.05 1.94 0.00 3.03 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 108 E 7.63 4.16 0.00 1.86 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 2.21 2.25 0.00 109 D 8.05 4.36 0.00 2.74 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 0.00 110 P 0.00 4.29 0.00 2.23 2.19 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 111 N 8.85 4.64 0.00 2.87 3.18 0.00 0.00 6.48 8.31 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 0.00 112 Y 8.36 5.05 0.00 3.08 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 9.17 4.48 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 0.73 0.00 0.00 1.02 0.00 0.00 114 L 8.73 5.38 0.00 1.87 1.87 0.99 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 115 I 9.10 4.68 1.89 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 1.14 0.65 0.93 0.00 0.00 116 K 9.22 4.50 0.00 1.93 1.80 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.24 0.94 7.81 117 I 8.48 4.78 1.87 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.12 0.92 0.00 0.00 118 N 8.86 4.83 0.00 2.85 2.77 0.00 0.00 6.36 7.45 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 0.00 119 P 0.00 4.55 0.00 2.04 2.05 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.28 0.00 120 D 9.26 4.92 0.00 2.65 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 0.00 121 T 7.60 4.89 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 0.43 0.00 0.00 122 I 8.59 4.81 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.91 0.00 0.00 123 Y 9.02 5.06 0.00 2.88 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 0.00 124 Y 9.17 4.78 0.00 3.06 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 0.00 125 I 7.99 3.93 0.56 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.48 0.43 0.00 0.00 126 D 8.20 5.00 0.00 2.60 3.16 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 *133 P 0.00 4.25 0.00 2.28 2.17 0.00 3.70 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 1.80 2.04 0.00 134 E 8.22 4.65 0.00 2.04 1.78 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 2.30 2.32 0.00 135 F 7.80 5.35 0.00 2.62 2.82 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 0.00 136 L 8.84 4.59 0.00 1.54 1.31 0.73 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.55 4.95 0.00 1.74 1.84 0.00 3.22 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 138 L 8.67 4.38 0.00 1.67 1.48 0.72 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.