NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3329 8.3344 115.2869 58.0242 63.5693 172.5303 3 I 4.1956 8.0762 126.8435 58.3266 39.1142 174.5917 4 T 4.3722 9.5210 119.8573 61.0030 72.1221 175.6548 5 S 4.1793 8.5240 117.6156 61.9314 62.8173 176.7025 6 D 4.4200 8.1048 121.0036 57.3738 40.5684 178.5617 7 E 4.0401 8.0244 119.2946 59.5191 29.4674 179.8717 8 V 3.7126 7.9160 119.1909 64.8319 31.4298 178.0391 9 N 4.7094 8.7519 117.6194 56.2107 38.3489 177.0974 10 F 3.9890 8.8520 122.3652 61.2140 39.4887 176.9314 11 L 4.1437 8.3987 118.7930 58.0292 41.4276 179.8339 12 V 3.6094 8.2793 118.2205 66.0864 31.5157 177.1038 13 Y 4.4525 8.7515 119.7582 61.2770 38.5013 178.6562 14 R 3.7245 8.2734 118.9264 59.1011 30.1177 178.3677 15 Y 4.0557 8.2647 119.5260 60.8181 38.7243 178.3324 16 L 4.1088 8.2326 119.9458 57.7204 41.7116 179.5016 17 Q 3.7894 7.8605 117.9130 59.1503 28.5584 178.8861 18 E 3.9253 8.2601 119.4674 58.7962 29.1991 178.5717 19 S 4.3163 7.3291 112.8733 57.1601 63.0455 174.2130 20 G 3.7012 7.3945 109.4612 46.9799 0.0000 176.0108 21 F 4.7690 7.6124 120.3136 55.6303 36.3279 175.6788 22 S 4.0866 7.8968 116.9384 61.6885 62.8782 174.9673 23 H 4.4280 8.0511 118.3600 58.9515 28.5581 177.9083 24 S 4.2391 8.2049 116.3584 61.4019 62.7611 176.1026 25 A 4.2050 8.5439 124.0221 55.3489 17.9412 179.2678 26 F 4.1735 8.2524 118.3361 62.0161 39.4421 177.4348 27 T 3.7639 8.0830 114.6705 66.6177 68.2008 176.5513 28 F 4.3322 8.9357 123.1677 61.1531 39.4364 177.1990 29 G 3.2609 8.6246 105.8740 47.8332 0.0000 175.7059 30 I 3.5424 7.1303 121.6738 64.2078 37.0220 178.3689 31 E 3.8731 7.9360 118.2423 59.2004 29.3505 178.2496 32 S 4.1269 7.7016 110.7412 57.6689 63.8093 173.1499 33 H 3.9686 7.8770 120.6885 56.9533 28.7251 175.8962 34 I 3.5354 7.5476 120.6903 63.9608 38.1562 177.6498 35 S 4.1353 7.8164 113.4122 60.3879 62.8902 174.3469 36 Q 4.2167 7.5760 120.5513 55.6829 29.0606 175.2468 37 S 4.5675 7.4974 111.9053 58.4942 64.2362 172.9344 38 N 4.9580 8.3422 116.4443 53.2858 39.3727 173.3018 39 I 4.0623 7.5331 116.6360 58.8906 38.9118 175.4375 40 N 4.4944 8.3162 124.0723 52.0493 38.0702 175.2234 41 G 3.9464 8.5826 116.3818 48.7015 0.0000 174.0655 42 T 3.9742 7.7113 108.6881 63.8310 68.8197 175.0609 43 L 4.2686 7.6696 120.4002 54.7761 42.1260 176.4109 44 V 4.0663 7.5533 120.3096 60.5990 31.6905 173.9637 45 P 4.5790 0.0000 0.0000 61.6296 30.8932 174.3044 46 P 4.6390 0.0000 0.0000 62.8962 32.0112 176.4520 47 A 4.0082 9.7217 121.8510 53.3402 17.0005 179.9125 48 A 4.0276 7.6225 123.0099 56.7112 18.3016 180.3103 49 L 3.8796 7.9538 118.1950 58.4970 42.3573 178.8134 50 I 3.6780 7.9050 119.1786 64.7339 37.0288 178.4876 51 S 4.1476 8.2826 115.6638 61.7698 62.9176 176.8874 52 I 3.7935 8.0271 122.4358 63.7518 36.7083 178.0783 53 L 3.9275 8.3497 121.2088 59.2817 42.1030 180.5750 54 Q 3.0186 7.9997 115.9760 57.4870 30.7927 178.7255 55 K 4.3126 8.6246 119.0423 59.0570 32.3017 180.0012 56 G 3.5880 7.9334 106.1519 47.5893 0.0000 175.7823 57 L 3.9918 8.0219 121.6367 57.7339 41.7439 179.4888 58 Q 4.2763 8.2130 119.2907 58.5797 28.6961 178.5979 59 Y 3.9579 8.2479 120.3460 60.7142 38.8561 178.3692 60 V 3.8148 7.9905 119.1685 66.0557 31.3438 177.6609 61 E 3.9418 8.3809 118.1838 59.5793 29.1571 179.3599 62 A 4.0256 8.0443 120.5917 54.9972 18.1876 179.4577 63 E 3.7850 7.7854 116.3667 59.4743 29.8672 179.5517 64 I 3.8577 7.7907 119.9884 64.4831 37.2006 178.7049 65 S 4.1886 8.2476 115.2869 61.2761 62.4168 176.4436 66 I 3.7572 7.3574 116.2639 63.2597 36.9368 176.4481 67 N 4.8060 7.8064 115.7893 52.7615 38.7761 176.3748 68 E 4.1616 7.8507 121.7771 59.0575 29.8254 177.6937 69 D 4.4442 8.1341 116.9323 54.1410 41.8802 177.8427 70 G 3.9132 7.3792 107.9396 44.9006 0.0000 172.2583 71 T 4.7346 8.4491 107.8557 59.6059 71.6178 175.0011 72 V 3.7720 8.2408 113.7114 62.7558 31.5312 176.9927 73 F 4.7183 7.8330 117.9611 57.0601 39.4531 175.9741 74 D 4.5381 7.9189 121.3062 54.5829 41.2363 176.7378 75 G 3.7880 8.3893 110.2080 46.5447 0.0000 173.2837 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 4.33 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 3 I 8.08 4.20 1.86 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 1.49 1.24 0.91 0.00 0.00 4 T 9.52 4.37 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 5 S 8.52 4.18 0.00 3.91 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 6 D 8.10 4.42 0.00 2.70 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 7 E 8.02 4.04 0.00 2.18 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 0.00 2.34 2.33 0.00 8 V 7.92 3.71 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 1.04 0.00 0.00 0.99 0.00 0.00 9 N 8.75 4.71 0.00 3.03 2.95 0.00 0.00 6.63 7.67 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 10 F 8.85 3.99 0.00 3.35 3.15 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 11 L 8.40 4.14 0.00 2.19 1.81 1.05 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.28 3.61 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.92 0.00 0.00 13 Y 8.75 4.45 0.00 3.24 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 14 R 8.27 3.72 0.00 2.13 2.15 0.00 3.42 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.99 0.00 15 Y 8.26 4.06 0.00 3.10 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 16 L 8.23 4.11 0.00 1.85 1.81 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.86 3.79 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.00 1.77 0.00 18 E 8.26 3.93 0.00 1.91 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 2.27 2.39 0.00 19 S 7.33 4.32 0.00 2.93 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.39 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 21 F 7.61 4.77 0.00 3.15 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 22 S 7.90 4.09 0.00 3.79 3.63 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 23 H 8.05 4.43 0.00 3.30 3.37 0.00 5.67 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 24 S 8.20 4.24 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 25 A 8.54 4.21 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.25 4.17 0.00 3.26 3.37 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 27 T 8.08 3.76 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 1.29 0.00 0.00 28 F 8.94 4.33 0.00 3.19 3.29 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 29 G 8.62 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 0.00 0.00 0.00 30 I 7.13 3.54 1.71 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 1.16 0.59 0.77 0.00 0.00 31 E 7.94 3.87 0.00 2.06 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 0.00 2.32 2.23 0.00 32 S 7.70 4.13 0.00 3.50 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 33 H 7.88 3.97 0.00 3.24 3.22 0.00 5.79 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.55 3.54 1.24 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.93 0.35 0.00 0.00 35 S 7.82 4.14 0.00 3.96 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 36 Q 7.58 4.22 0.00 1.53 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.93 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 37 S 7.50 4.57 0.00 4.06 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 38 N 8.34 4.96 0.00 2.59 2.72 0.00 0.00 6.89 7.94 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 39 I 7.53 4.06 1.30 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 1.13 0.60 0.02 0.00 0.00 40 N 8.32 4.49 0.00 2.65 2.65 0.00 0.00 7.08 7.90 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 41 G 8.58 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 0.00 0.00 0.00 42 T 7.71 3.97 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 1.25 0.00 0.00 43 L 7.67 4.27 0.00 1.79 1.72 0.90 0.65 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 44 V 7.55 4.07 2.40 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 0.96 0.00 0.00 0.90 0.00 0.00 45 P 0.00 4.58 0.00 2.25 2.07 0.00 3.86 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 46 P 0.00 4.64 0.00 2.22 2.01 0.00 4.05 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 47 A 9.72 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.62 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.95 3.88 0.00 1.96 1.73 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.90 3.68 2.08 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.89 0.95 0.00 0.00 51 S 8.28 4.15 0.00 4.01 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 52 I 8.03 3.79 1.88 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 1.42 1.25 0.90 0.00 0.00 53 L 8.35 3.93 0.00 2.03 1.73 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.00 3.02 0.00 2.38 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 55 K 8.62 4.31 0.00 2.01 1.88 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.64 7.81 56 G 7.93 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.02 3.99 0.00 2.00 1.75 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.21 4.28 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 59 Y 8.25 3.96 0.00 3.25 3.11 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 60 V 7.99 3.81 2.24 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 1.00 0.00 0.00 1.06 0.00 0.00 61 E 8.38 3.94 0.00 2.24 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 0.00 2.33 2.34 0.00 62 A 8.04 4.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.79 3.79 0.00 2.09 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 0.00 2.16 2.03 0.00 64 I 7.79 3.86 2.00 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 1.57 1.23 0.90 0.00 0.00 65 S 8.25 4.19 0.00 4.02 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 0.00 66 I 7.36 3.76 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.65 0.87 0.00 0.00 67 N 7.81 4.81 0.00 2.83 2.85 0.00 0.00 6.58 7.19 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 68 E 7.85 4.16 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 69 D 8.13 4.44 0.00 2.70 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 70 G 7.38 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 0.00 0.00 0.00 71 T 8.45 4.73 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 1.27 0.00 0.00 72 V 8.24 3.77 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 0.62 0.00 0.00 0.43 0.00 0.00 73 F 7.83 4.72 0.00 3.07 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 74 D 7.92 4.54 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 75 G 8.39 3.79 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 0.00 0.00 0.00