NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 L 4.1908 8.0433 122.4780 55.0004 43.9266 178.6432 20 K 3.8837 7.9188 117.1724 58.0662 32.0663 177.0467 21 G 3.7029 8.7823 108.4504 47.3753 0.0000 173.8551 22 L 4.2957 8.1561 119.4570 54.3557 42.5560 176.6828 23 V 3.8090 7.0380 118.3692 64.6001 31.7285 175.1346 24 N 4.1551 8.9367 121.1971 54.3688 37.0094 173.7030 25 H 4.7967 8.0488 115.8999 54.1479 32.1227 174.0449 26 R 4.7748 8.4006 120.2003 55.9025 30.8949 175.4170 27 V 4.8968 9.0397 119.9145 59.3790 36.3149 174.9179 28 G 4.3276 9.1853 108.5870 44.6055 0.0000 171.8398 29 V 4.7552 9.0026 126.2994 61.1685 33.5490 174.2596 30 K 4.6473 8.2755 129.1936 54.6079 34.4997 175.3761 31 L 5.1867 7.4602 126.2407 52.6019 43.2218 177.1730 32 K 4.1534 8.2894 119.6490 59.2143 32.3432 178.0947 33 F 4.7868 6.9847 112.6415 55.7151 40.6360 176.9887 34 N 3.9434 8.7196 117.8942 54.5356 37.1571 177.4561 35 S 4.6789 8.1071 109.6640 58.7015 62.8221 173.4827 36 T 4.8920 7.4960 118.7884 62.3569 71.4045 174.6293 37 E 4.6845 9.0037 126.2770 54.5317 33.5479 173.6299 38 Y 5.5431 8.6327 124.2179 56.7159 40.0152 174.7473 39 R 5.0798 8.9523 123.9755 54.5164 33.3838 176.4760 40 G 3.7027 7.9984 108.7190 46.3557 0.0000 171.1496 41 T 4.9205 7.9809 116.7112 61.9133 70.8846 174.3494 42 L 4.5845 8.6356 128.8835 54.7466 42.1658 177.4657 43 V 3.7377 8.6831 127.7886 65.4905 31.8402 175.9412 44 S 4.7050 7.5243 112.6035 57.9874 66.9115 172.0914 45 T 4.8721 8.0452 114.9001 65.3020 72.3210 172.2680 46 D 4.5301 8.6646 118.0241 53.4231 41.4881 176.9468 47 N 4.0284 8.7203 118.7005 56.9674 37.4595 175.8489 48 Y 4.0242 8.4446 113.8326 58.6305 38.2005 176.5535 49 F 3.7419 8.7672 118.5768 58.4978 37.2957 173.7226 50 N 5.6274 7.7080 116.3921 51.7294 40.5590 174.4025 51 L 5.0587 8.8864 122.6998 54.1988 45.0169 174.5987 52 Q 4.4436 8.8343 121.1000 53.9951 31.4529 173.8290 53 L 5.0280 8.5662 128.3114 53.2228 45.3006 174.2430 54 N 5.2058 9.2253 125.0425 51.4387 41.1924 174.3357 55 E 3.8207 8.5557 123.4435 57.4611 27.1427 174.6433 56 A 4.6636 7.8338 120.3047 51.8377 20.5797 177.7341 57 E 5.0153 9.4845 121.7688 54.3965 33.4798 173.9967 58 E 4.8490 8.9786 128.2673 55.6716 31.2975 174.7633 59 F 4.9550 9.9497 126.4692 55.5471 42.3026 174.5095 60 V 4.4742 8.6994 123.5190 60.9990 33.5011 175.4334 61 A 3.8690 9.5933 133.2148 53.3743 16.5501 177.4998 62 G 4.0054 8.5394 104.5720 46.9487 0.0000 173.9279 63 V 4.4693 7.6853 119.3760 60.4229 33.7643 174.8353 64 S 3.7923 8.4183 121.5461 58.3577 62.7273 173.2721 65 H 4.7274 8.3255 124.2894 55.6272 29.3278 173.0579 66 G 4.0313 7.1485 105.8907 44.2731 0.0000 173.5075 67 T 4.8585 8.1922 115.9466 61.6791 70.3548 174.5442 68 L 4.6023 8.5102 126.1780 53.2377 44.8246 177.2724 69 G 4.0277 8.6908 111.4406 47.2451 0.0000 176.3086 70 E 5.1831 9.3601 124.0304 54.7984 31.6993 174.5603 71 I 4.9413 8.5937 116.5851 59.1213 41.6526 174.0475 72 F 4.9906 8.9910 121.5089 55.8534 41.5649 174.5414 73 I 4.6084 8.5577 124.5323 59.4377 39.7961 175.3707 74 R 4.8680 8.5764 125.1153 55.3637 30.7616 176.5689 75 C 4.3990 9.6066 118.0302 61.1732 29.7260 176.1218 76 N 4.2668 8.2775 117.8203 55.8125 38.4643 175.8132 77 N 4.6825 8.0996 112.2488 54.0465 39.0075 174.5929 78 V 4.4268 8.6276 120.0352 61.6094 32.8368 175.0085 79 L 4.3610 8.8093 130.3791 57.2311 42.8095 175.4945 80 Y 4.9068 6.8882 114.0685 56.5810 41.1983 172.5312 81 I 5.5102 8.7349 119.4029 59.7052 41.0396 175.1216 82 R 4.7898 9.1246 121.1705 54.5944 33.7180 173.1011 83 E 4.9066 8.5429 120.2911 54.4976 30.9050 175.2253 84 L 4.2541 9.0519 128.7907 53.4922 42.4133 174.7201 85 P 4.1175 0.0000 0.0000 64.1187 31.0819 175.8407 86 N 4.3180 8.1722 119.6398 52.0791 37.3468 174.3461 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 19 L 8.04 4.19 0.00 1.50 1.54 -0.11 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.92 3.88 0.00 1.91 1.84 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.46 7.81 21 G 8.78 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 22 L 8.16 4.30 0.00 1.77 1.68 0.90 0.64 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 23 V 7.04 3.81 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 0.81 0.00 0.00 0.94 0.00 0.00 24 N 8.94 4.16 0.00 2.85 2.82 0.00 0.00 6.89 7.70 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 25 H 8.05 4.80 0.00 3.33 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.40 4.77 0.00 1.90 1.83 0.00 3.12 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 27 V 9.04 4.90 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 0.75 0.00 0.00 1.00 0.00 0.00 28 G 9.19 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 0.00 0.00 0.00 0.00 29 V 9.00 4.76 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 1.04 0.00 0.00 1.03 0.00 0.00 30 K 8.28 4.65 0.00 1.28 0.74 0.00 1.36 0.00 0.00 1.45 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.82 1.07 7.81 31 L 7.46 5.19 0.00 0.90 0.93 0.68 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.29 4.15 0.00 1.83 1.92 0.00 1.98 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.54 7.81 33 F 6.98 4.79 0.00 3.15 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 34 N 8.72 3.94 0.00 2.89 2.69 0.00 0.00 6.70 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 35 S 8.11 4.68 0.00 3.81 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 36 T 7.50 4.89 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 0.69 0.00 0.00 37 E 9.00 4.68 0.00 1.83 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 0.00 2.11 2.17 0.00 38 Y 8.63 5.54 0.00 3.02 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 39 R 8.95 5.08 0.00 1.82 1.79 0.00 2.45 0.00 0.00 2.82 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 40 G 8.00 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 41 T 7.98 4.92 4.23 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 0.00 0.00 0.00 1.24 0.00 0.00 42 L 8.64 4.58 0.00 1.77 1.71 0.94 0.63 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 43 V 8.68 3.74 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 0.86 0.00 0.00 0.87 0.00 0.00 44 S 7.52 4.70 0.00 3.88 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 45 T 8.05 4.87 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 46 D 8.66 4.53 0.00 2.81 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 47 N 8.72 4.03 0.00 2.88 2.99 0.00 0.00 6.98 7.46 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 48 Y 8.44 4.02 0.00 3.41 3.07 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 49 F 8.77 3.74 0.00 3.26 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 50 N 7.71 5.63 0.00 2.74 2.83 0.00 0.00 6.54 6.62 0.00 0.00 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 L 8.89 5.06 0.00 1.67 1.67 0.93 0.39 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 52 Q 8.83 4.44 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 1.65 1.16 0.00 53 L 8.57 5.03 0.00 1.63 1.36 0.90 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 54 N 9.23 5.21 0.00 2.72 2.70 0.00 0.00 7.12 7.62 0.00 0.00 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 E 8.56 3.82 0.00 2.15 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 2.23 2.29 0.00 56 A 7.83 4.66 1.26 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 57 E 9.48 5.02 0.00 2.10 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 1.97 2.30 0.00 58 E 8.98 4.85 0.00 2.39 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 2.19 2.12 0.00 59 F 9.95 4.96 0.00 2.90 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 60 V 8.70 4.47 1.61 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 0.89 0.00 0.00 0.69 0.00 0.00 61 A 9.59 3.87 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 62 G 8.54 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 63 V 7.69 4.47 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 0.98 0.00 0.00 64 S 8.42 3.79 0.00 3.19 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 65 H 8.33 4.73 0.00 3.04 3.20 0.00 5.71 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 66 G 7.15 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 67 T 8.19 4.86 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 1.27 0.00 0.00 68 L 8.51 4.60 0.00 1.50 1.60 0.96 1.09 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 69 G 8.69 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 70 E 9.36 5.18 0.00 1.99 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 2.35 2.28 0.00 71 I 8.59 4.94 1.76 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.17 0.84 0.00 0.00 72 F 8.99 4.99 0.00 2.88 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 73 I 8.56 4.61 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 1.08 0.95 0.96 0.00 0.00 74 R 8.58 4.87 0.00 1.92 1.92 0.00 3.61 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 75 C 9.61 4.40 0.00 3.06 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 76 N 8.28 4.27 0.00 2.80 3.00 0.00 0.00 6.93 8.00 0.00 0.00 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 N 8.10 4.68 0.00 2.88 3.00 0.00 0.00 6.60 7.56 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 78 V 8.63 4.43 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 0.83 0.00 0.00 1.10 0.00 0.00 79 L 8.81 4.36 0.00 1.47 1.44 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 6.89 4.91 0.00 3.01 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 81 I 8.73 5.51 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.95 0.98 0.00 0.00 82 R 9.12 4.79 0.00 1.84 2.03 0.00 2.77 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.61 0.00 83 E 8.54 4.91 0.00 1.97 1.87 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 0.00 2.21 2.32 0.00 84 L 9.05 4.25 0.00 1.61 1.56 0.89 1.15 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 85 P 0.00 4.12 0.00 2.15 2.11 0.00 3.76 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 1.96 1.95 0.00 86 N 8.17 4.32 0.00 2.87 2.80 0.00 0.00 6.14 7.56 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