NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1836 8.1849 122.5269 54.7814 44.2185 176.8456 2 K 3.8412 7.1222 122.9301 54.5921 32.6012 175.1931 3 K 5.6385 7.8529 126.5464 53.5759 32.2701 177.2738 4 V 3.9576 7.7193 120.7917 62.2682 33.0363 177.2536 5 V 4.6228 8.8294 126.7382 60.2484 33.1275 176.0684 6 A 4.0147 8.5833 125.4708 52.7979 19.1701 176.7348 7 L 4.1917 8.2907 117.4349 56.0386 46.3036 175.0101 8 Y 4.8363 7.2035 114.5146 55.4333 41.0228 174.4482 9 D 4.6341 8.9650 121.9940 54.6305 41.9920 175.2110 10 Y 4.6540 8.6396 126.0390 56.0890 41.6408 174.5373 11 M 4.7406 8.3151 126.5080 53.8604 33.5356 174.4165 12 P 4.4042 0.0000 0.0000 62.9785 32.1703 176.2210 13 M 4.7504 8.2040 118.2674 55.0592 32.0916 174.5900 14 N 4.6663 7.8890 113.6238 54.5118 41.0107 173.9956 15 A 4.6104 7.3145 119.6782 52.7949 26.3000 177.1803 16 N 4.8867 6.7311 110.1253 52.5505 41.4221 173.0623 17 D 4.7566 8.1590 117.6884 55.3125 41.7211 176.2354 18 L 4.3381 9.1631 126.4372 54.0041 42.1542 176.5330 19 Q 4.2948 8.9473 125.9660 56.7387 29.4226 176.6454 20 L 4.9846 9.0127 126.6252 54.1600 43.1202 177.4786 21 R 4.3947 8.5728 120.1611 56.0760 30.8594 176.1737 22 K 3.6791 8.6913 108.9402 60.0318 28.0546 172.1331 23 G 3.6555 8.3540 116.7016 45.0584 0.0000 171.4510 24 D 4.4363 7.8166 120.2715 54.1594 42.4922 176.0063 25 E 4.6511 8.6675 121.9012 55.9336 32.1331 174.5018 26 Y 4.8810 9.1351 117.6030 56.3817 42.2332 174.5897 27 F 5.4762 8.5190 124.0837 56.1797 41.4668 175.0548 28 I 4.5277 8.0257 126.9817 60.5357 36.5635 176.1871 29 L 4.4563 9.0025 126.2876 55.9260 41.9875 176.7833 30 E 4.9315 7.4458 116.9194 56.4008 34.6889 175.8765 31 E 4.2779 7.8516 118.5243 57.0528 32.0489 173.3287 32 S 4.4358 7.0344 112.3221 59.5797 67.0228 175.8106 33 N 4.7363 8.9810 119.5487 53.4927 37.2657 174.1153 34 L 4.7169 7.6033 118.8978 52.3935 44.7615 174.2259 35 P 3.9327 0.0000 0.0000 65.2018 32.3973 176.6433 36 W 4.8402 7.4567 119.5601 56.0114 30.0505 176.2452 37 W 5.3442 9.0414 125.5512 55.5011 32.8343 174.2856 38 R 5.2297 8.9859 116.9218 55.0922 29.5159 175.7384 39 A 5.9400 8.9779 124.9376 48.9624 23.7651 175.1089 40 R 5.6104 8.7873 118.9203 53.8009 32.3124 175.0343 41 D 3.9784 8.8261 126.8327 53.0208 40.1179 177.0593 42 K 4.0224 7.4041 117.5458 58.1767 32.0972 176.7069 43 N 4.4938 7.9396 115.6521 53.9245 38.9007 174.3252 44 G 3.8289 7.7581 103.7355 47.3781 0.0000 173.8777 45 Q 4.5550 8.2677 119.5043 53.9745 32.6244 173.7503 46 E 4.9138 8.9517 126.1288 56.0406 30.8969 175.9715 47 G 4.6246 8.8626 110.2044 47.2420 0.0000 170.8225 48 Y 6.1589 8.1443 117.2348 56.8209 39.6205 174.9620 49 I 4.9945 8.6097 124.5889 58.6953 40.5178 173.0577 50 P 4.6927 0.0000 0.0000 63.0638 31.8243 176.1543 51 S 4.2934 7.9566 118.1167 59.1365 64.5830 176.0512 52 N 3.8957 7.7335 116.4106 55.2309 38.1006 175.1485 53 Y 4.3709 7.1783 110.0249 57.2768 38.6741 180.4272 54 V 2.9950 8.8164 121.9483 63.0020 31.7842 171.1946 55 T 4.2873 8.6545 121.6747 64.8924 73.7907 173.7105 56 E 3.9035 8.5030 121.5559 57.1020 27.5299 175.5792 57 A 4.1318 8.4163 129.4620 53.3952 18.9229 177.2586 58 E 4.7919 8.7305 116.2005 57.0430 28.9577 176.7782 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 L 8.18 4.18 0.00 1.65 1.78 0.92 0.32 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 2 K 7.12 3.84 0.00 1.34 1.58 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 1.40 7.81 3 K 7.85 5.64 0.00 1.51 1.72 0.00 1.98 0.00 0.00 2.50 0.00 0.00 3.18 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.31 7.81 4 V 7.72 3.96 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 1.06 0.00 0.00 0.88 0.00 0.00 5 V 8.83 4.62 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 0.87 0.00 0.00 1.09 0.00 0.00 6 A 8.58 4.01 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 7 L 8.29 4.19 0.00 1.43 0.48 0.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.20 4.84 0.00 2.74 2.76 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 9 D 8.96 4.63 0.00 2.72 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 10 Y 8.64 4.65 0.00 3.20 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 11 M 8.32 4.74 0.00 1.81 1.80 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 12 P 0.00 4.40 0.00 2.07 2.17 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 13 M 8.20 4.75 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 14 N 7.89 4.67 0.00 2.57 2.84 0.00 0.00 6.11 5.23 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 15 A 7.31 4.61 1.11 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 16 N 6.73 4.89 0.00 2.01 2.50 0.00 0.00 6.46 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 17 D 8.16 4.76 0.00 2.55 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 18 L 9.16 4.34 0.00 1.74 1.94 1.13 1.25 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 19 Q 8.95 4.29 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 20 L 9.01 4.98 0.00 1.99 1.62 0.72 0.28 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 21 R 8.57 4.39 0.00 1.78 1.90 0.00 3.42 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 22 K 8.69 3.68 0.00 1.86 1.97 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.45 7.81 23 G 8.35 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 24 D 7.82 4.44 0.00 2.59 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 0.00 0.00 0.00 25 E 8.67 4.65 0.00 2.02 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 2.42 2.60 0.00 26 Y 9.14 4.88 0.00 3.12 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 27 F 8.52 5.48 0.00 3.26 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 28 I 8.03 4.53 1.87 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.72 1.00 0.00 0.00 29 L 9.00 4.46 0.00 1.95 1.82 1.05 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 30 E 7.45 4.93 0.00 1.97 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 2.05 2.08 0.00 31 E 7.85 4.28 0.00 1.16 1.12 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 0.00 1.70 1.87 0.00 32 S 7.03 4.44 0.00 3.94 3.86 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 33 N 8.98 4.74 0.00 2.84 2.92 0.00 0.00 5.78 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 34 L 7.60 4.72 0.00 1.74 1.68 1.07 1.12 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 35 P 0.00 3.93 0.00 1.13 1.69 0.00 3.24 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.12 0.00 36 W 7.46 4.84 0.00 3.46 3.12 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 0.00 0.00 0.00 0.00 37 W 9.04 5.34 0.00 3.32 3.31 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 0.00 0.00 0.00 0.00 38 R 8.99 5.23 0.00 1.95 1.90 0.00 3.18 0.00 0.00 3.45 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 39 A 8.98 5.94 1.54 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 0.00 0.00 40 R 8.79 5.61 0.00 1.96 1.89 0.00 3.25 0.00 0.00 3.37 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 41 D 8.83 3.98 0.00 2.09 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 42 K 7.40 4.02 0.00 1.80 2.01 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.32 7.81 43 N 7.94 4.49 0.00 2.78 2.89 0.00 0.00 7.12 7.72 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 44 G 7.76 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 0.00 45 Q 8.27 4.55 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 46 E 8.95 4.91 0.00 1.95 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 2.33 2.35 0.00 47 G 8.86 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.14 6.16 0.00 3.08 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 49 I 8.61 4.99 2.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.78 0.58 0.00 0.00 50 P 0.00 4.69 0.00 2.13 2.40 0.00 3.71 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.24 0.00 51 S 7.96 4.29 0.00 3.01 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 52 N 7.73 3.90 0.00 2.01 2.50 0.00 0.00 5.66 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 53 Y 7.18 4.37 0.00 2.90 2.34 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 0.00 54 V 8.82 3.00 2.02 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 0.73 0.00 0.00 0.84 0.00 0.00 55 T 8.65 4.29 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 1.20 0.00 0.00 56 E 8.50 3.90 0.00 2.16 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 0.00 2.22 2.28 0.00 57 A 8.42 4.13 1.42 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 58 E 8.73 4.79 0.00 1.84 1.72 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 0.00 2.18 1.99 0.00