NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3397 8.2393 119.7093 55.5185 31.9827 174.5742 9 E 4.6303 8.0645 115.8324 54.0881 31.8815 174.4379 10 C 5.1202 8.6606 117.5884 55.2979 44.3339 175.4234 11 C 4.6671 8.5271 124.5720 55.2382 43.4800 173.3525 12 L 4.1169 8.6551 128.3180 57.4972 41.5197 177.2732 13 E 4.5695 7.5145 112.3604 54.8150 31.9269 174.2778 14 Y 4.7706 8.0181 118.1759 58.0687 38.6099 175.9758 15 F 4.6559 9.2130 125.3505 58.6281 40.4723 174.4254 16 K 4.3027 7.6799 122.4883 55.3305 34.7356 175.0446 17 G 3.3777 8.6879 109.4834 44.2047 0.0000 172.2931 18 A 4.5580 8.1548 121.0535 50.6700 20.2316 176.5920 19 I 4.4687 7.9326 120.1858 58.1481 40.1744 173.7466 20 P 4.3100 0.0000 0.0000 62.3381 32.0639 177.4511 21 L 3.7446 8.4473 122.4806 57.7567 41.6182 179.6812 22 R 4.0594 7.7611 113.3957 58.3206 29.6482 177.3366 23 K 4.2332 8.1344 117.6838 56.9355 32.6012 176.1562 24 L 4.7511 7.5597 120.0296 53.6966 42.8246 175.7393 25 K 4.4467 8.9181 124.6715 58.3044 33.7422 175.3896 26 T 4.8803 7.6464 112.0153 61.4970 70.8669 171.2378 27 W 5.9753 8.5396 118.6972 55.7019 31.5043 173.2243 28 Y 4.1768 8.4203 117.6312 55.9800 41.3992 173.1962 29 Q 4.8680 8.4204 120.2075 54.8747 32.0640 174.1768 30 T 4.7866 8.6530 122.1732 62.1517 71.1835 174.6789 31 S 5.2238 8.2442 114.7892 56.7257 64.5822 173.8519 32 E 4.2401 7.9569 121.2184 55.7227 30.0708 175.4166 33 D 4.4843 8.3465 119.6721 56.2801 41.6314 175.5885 34 C 4.0446 9.0376 118.8265 55.4806 35.6969 175.0234 35 S 3.9078 7.9845 115.5823 59.5433 62.9801 175.8523 36 R 3.7554 8.3287 116.7806 56.1112 27.3056 175.2491 37 D 4.8738 8.6814 115.4237 53.9613 39.1473 173.5255 38 A 4.5924 7.7541 118.8683 51.9805 19.5585 178.3339 39 I 3.9486 8.2211 121.9491 60.8715 38.6685 175.2019 40 V 4.3337 8.4549 128.1736 61.1748 33.0794 174.3482 41 F 5.3532 8.8519 127.8150 56.5244 40.8411 175.0123 42 V 4.8081 8.9607 124.5123 61.7259 33.0637 175.5986 43 T 4.7970 8.9200 119.0993 60.6160 70.3244 176.1973 44 V 3.6075 8.7387 122.4035 66.0413 31.5479 176.9444 45 Q 4.1576 8.0493 116.0137 56.1594 28.6635 176.1486 46 G 3.8505 8.2235 106.2811 46.3491 0.0000 173.7072 47 R 4.6094 7.8935 117.6902 53.9050 32.8219 174.5583 48 A 5.2979 8.3326 120.2510 50.3249 21.6463 175.9944 49 I 4.4001 8.8100 123.2645 59.4183 39.8966 172.4548 50 C 4.9939 8.7160 122.7803 55.1286 40.6940 172.9110 51 S 5.1636 8.9599 117.0346 56.5081 67.9375 173.0160 52 D 3.3700 8.2806 121.5234 53.0589 40.8027 175.3852 53 P 4.2535 0.0000 0.0000 64.9646 31.5349 176.7725 54 N 4.5627 7.9832 115.1378 53.6241 39.1346 175.1181 55 N 4.6052 7.8200 118.3787 52.6376 40.8217 175.6541 56 K 3.9421 8.5237 126.9017 59.7175 32.3072 179.7780 57 R 3.8792 8.0274 117.8695 59.1010 29.9745 179.1568 58 V 3.7299 8.0612 118.0763 66.0219 31.5678 178.1945 59 K 3.8629 8.2770 118.4899 59.6573 31.8229 179.0840 60 N 4.3238 8.5071 116.6899 56.1302 38.4053 177.4019 61 A 3.9802 8.0535 122.3997 55.0253 18.3580 179.8225 62 V 3.1910 7.8379 116.8291 65.9352 31.5028 178.3589 63 K 3.8842 8.0993 118.2629 59.4830 31.8692 178.3964 64 Y 4.2394 8.2185 119.8856 61.0312 38.6671 178.5129 65 L 3.7061 8.0485 119.5619 57.7913 41.5066 179.5453 66 Q 4.1508 8.2193 117.4620 59.1884 29.0739 178.7815 67 S 4.2775 8.2328 116.0664 61.0774 62.5987 176.4792 68 L 3.9313 7.4618 122.7690 57.9377 41.8359 178.3774 69 E 4.2059 7.8661 117.5888 57.9127 30.7456 177.8441 70 R 4.5432 6.7085 114.8946 52.3863 28.7403 175.9951 71 S 4.3428 7.7958 119.3471 59.9459 62.3179 177.4621 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 8 R 8.24 4.34 0.00 1.82 2.03 0.00 3.13 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 9 E 8.06 4.63 0.00 2.18 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 2.24 2.46 0.00 10 C 8.66 5.12 0.00 2.94 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 11 C 8.53 4.67 0.00 2.99 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 12 L 8.66 4.12 0.00 1.69 1.71 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.51 4.57 0.00 1.97 1.82 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 2.21 2.36 0.00 14 Y 8.02 4.77 0.00 2.96 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 15 F 9.21 4.66 0.00 3.09 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 16 K 7.68 4.30 0.00 1.38 1.51 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.36 7.81 17 G 8.69 3.38 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 0.00 18 A 8.15 4.56 1.23 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 0.00 0.00 0.00 19 I 7.93 4.47 1.78 0.00 0.00 0.77 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 0.63 0.65 0.00 0.00 20 P 0.00 4.31 0.00 2.16 1.90 0.00 3.63 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 2.09 2.08 0.00 21 L 8.45 3.74 0.00 1.27 0.76 0.29 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.76 4.06 0.00 1.91 2.04 0.00 3.01 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 23 K 8.13 4.23 0.00 1.92 1.85 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.38 7.81 24 L 7.56 4.75 0.00 1.87 1.69 0.60 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.92 4.45 0.00 1.79 2.05 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.40 7.81 26 T 7.65 4.88 4.31 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 1.29 0.00 0.00 27 W 8.54 5.98 0.00 3.21 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 28 Y 8.42 4.18 0.00 2.87 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 29 Q 8.42 4.87 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.62 0.00 30 T 8.65 4.79 4.44 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 1.29 0.00 0.00 31 S 8.24 5.22 0.00 4.04 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 32 E 7.96 4.24 0.00 2.12 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 0.00 2.41 2.36 0.00 33 D 8.35 4.48 0.00 2.64 2.59 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 34 C 9.04 4.04 0.00 3.33 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 35 S 7.98 3.91 0.00 4.19 4.22 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.33 3.76 0.00 1.99 1.98 0.00 3.08 0.00 0.00 2.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.51 0.00 37 D 8.68 4.87 0.00 2.89 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 38 A 7.75 4.59 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 39 I 8.22 3.95 1.50 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.59 0.06 0.00 0.00 40 V 8.45 4.33 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 0.00 0.00 0.81 0.00 0.00 0.61 0.00 0.00 41 F 8.85 5.35 0.00 3.09 2.87 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 0.00 0.00 0.00 42 V 8.96 4.81 2.22 0.00 0.00 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 0.00 0.00 1.14 0.00 0.00 43 T 8.92 4.80 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 1.19 0.00 0.00 44 V 8.74 3.61 2.10 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 0.80 0.00 0.00 1.04 0.00 0.00 45 Q 8.05 4.16 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.21 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 46 G 8.22 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.89 4.61 0.00 1.88 1.84 0.00 3.08 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 48 A 8.33 5.30 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 49 I 8.81 4.40 1.78 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.60 0.11 0.00 0.00 50 C 8.72 4.99 0.00 3.04 3.21 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 0.00 0.00 0.00 0.00 51 S 8.96 5.16 0.00 3.83 3.87 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 0.00 0.00 0.00 52 D 8.28 3.37 0.00 2.04 2.27 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 53 P 0.00 4.25 0.00 2.16 2.22 0.00 3.29 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.12 0.00 54 N 7.98 4.56 0.00 2.81 2.86 0.00 0.00 6.91 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 55 N 7.82 4.61 0.00 2.70 2.75 0.00 0.00 7.11 7.42 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 56 K 8.52 3.94 0.00 1.82 1.82 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.51 7.81 57 R 8.03 3.88 0.00 2.03 1.96 0.00 3.11 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 58 V 8.06 3.73 2.31 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 1.09 0.00 0.00 1.11 0.00 0.00 59 K 8.28 3.86 0.00 1.94 1.79 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.59 7.81 60 N 8.51 4.32 0.00 2.82 2.84 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 61 A 8.05 3.98 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 62 V 7.84 3.19 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 -0.10 0.00 0.00 0.36 0.00 0.00 63 K 8.10 3.88 0.00 1.97 1.85 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.51 7.81 64 Y 8.22 4.24 0.00 2.99 3.17 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 0.00 65 L 8.05 3.71 0.00 2.00 1.93 1.25 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.22 4.15 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 67 S 8.23 4.28 0.00 3.98 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 68 L 7.46 3.93 0.00 1.33 1.63 0.83 0.75 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 69 E 7.87 4.21 0.00 2.21 2.01 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 2.36 2.34 0.00 70 R 6.71 4.54 0.00 2.02 1.94 0.00 3.13 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 71 S 7.80 4.34 0.00 3.94 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00