NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 A 4.2214 8.2644 123.5740 52.2964 20.2976 177.7113 1 M 4.1370 7.8293 120.9379 55.3675 30.6468 172.6494 2 R 4.3660 8.2023 120.6288 56.3997 35.6310 176.4095 3 Y 4.6384 7.1807 113.9818 59.7139 38.3384 178.0251 4 V 3.7984 7.8417 119.0681 65.6054 31.6187 177.5019 5 A 4.0138 8.0601 120.5004 55.4072 18.2802 179.6823 6 S 4.1655 8.1142 112.1113 61.4770 63.2641 175.6046 7 Y 4.0666 8.7763 123.5288 60.5890 38.5467 178.0982 8 L 3.9053 8.6798 119.9489 57.8170 41.7913 179.1382 9 L 3.9302 7.9703 118.4970 58.1997 41.5027 179.7007 10 A 3.9315 8.3655 120.3646 55.1335 17.8612 179.5351 11 A 4.4651 7.6301 120.5581 54.7367 18.1823 179.6771 12 L 3.8972 7.7612 116.4263 57.1219 41.9119 179.4046 13 G 3.7472 7.8927 105.1322 46.3894 0.0000 173.1947 14 G 3.4294 6.3173 113.5197 45.1338 0.0000 173.4089 15 N 4.7356 7.4232 121.2132 51.4270 37.9603 174.8947 16 S 4.0620 8.3462 119.8632 60.2059 63.3930 174.9197 17 S 4.5790 7.5620 114.9855 55.8553 61.1566 170.9777 18 P 4.4832 0.0000 0.0000 61.4981 32.5587 176.8341 19 S 4.6948 8.9117 116.7417 57.1778 65.9891 175.5001 20 A 4.0352 8.4193 124.3065 55.0075 18.0617 180.3983 21 K 3.8996 7.9500 116.9794 59.6165 32.1989 178.7881 22 D 4.3482 7.6753 117.8141 57.5545 40.7176 178.7543 23 I 3.7368 7.5853 119.8772 64.5714 37.1437 178.2696 24 K 3.9048 8.2794 119.2121 59.7963 31.9637 179.5690 25 K 4.3331 7.9894 119.7094 58.9715 32.0723 179.6218 26 I 3.7946 8.0323 120.3072 64.2128 36.9102 178.4176 27 L 4.1359 8.3519 120.2998 57.9381 40.9355 179.1556 28 D 4.2266 8.5031 119.2725 57.5456 40.5151 178.8465 29 S 4.1565 7.9223 112.6753 60.7633 62.4822 175.6908 30 V 4.2523 7.4821 111.2553 60.5820 32.4420 176.1887 31 G 3.9680 8.0011 106.0372 46.2527 0.0000 173.4508 32 I 4.5429 8.1665 119.2395 59.1420 40.0795 175.5640 33 E 4.6349 8.5303 122.0601 54.8997 31.5690 175.3266 34 A 4.9458 8.1573 121.7129 50.0418 22.1673 175.9054 35 D 4.7546 9.5102 123.4212 52.8624 42.1145 177.0521 36 D 4.2866 8.7095 125.2726 57.8767 40.8437 178.9525 37 D 4.2868 7.9595 118.0231 57.5056 41.0343 178.6038 38 R 3.8965 8.0058 118.5390 59.3962 29.9560 177.8916 39 L 3.3537 8.2116 120.1356 58.2868 42.0104 178.7352 40 N 4.2836 8.3525 116.5770 56.1136 38.3755 177.6674 41 K 3.9023 8.1460 120.0105 59.4867 32.1764 179.3939 42 V 3.8277 8.1603 120.0922 65.4989 31.4000 178.0064 43 I 3.2566 7.9917 119.7405 64.4753 37.1125 178.4402 44 S 4.1927 8.2978 114.2262 61.1981 61.7007 176.0970 45 E 3.9472 8.4899 121.9531 59.3055 29.3515 179.2076 46 L 3.9467 7.8913 119.1648 57.8164 41.4145 179.1472 47 N 4.5939 8.5459 116.2025 55.5636 38.9450 176.0943 48 G 4.0630 7.5133 104.3681 45.8567 0.0000 173.2286 49 K 4.5094 7.8468 118.8132 54.6796 35.8689 175.4813 50 N 4.8929 8.4565 116.0534 52.5945 41.2396 175.7649 51 I 3.6894 8.3137 125.2115 64.9110 37.3339 178.4462 52 E 3.9018 8.2734 118.5853 59.5766 29.2264 179.1803 53 D 4.2852 7.9749 118.1714 57.5629 41.0588 178.9045 54 V 3.6002 7.7821 118.5419 65.9046 31.3430 177.8677 55 I 3.6671 8.4849 120.2009 64.4219 36.8448 178.0315 56 A 4.1285 8.4307 120.6890 54.1617 18.3617 178.6116 57 Q 4.3841 8.1440 115.6135 57.0760 29.6078 177.5322 58 G 3.8180 7.8489 105.7839 46.7148 0.0000 175.9747 59 I 3.8868 8.5750 122.5903 63.4008 38.4270 175.8741 60 G 3.9645 8.5889 105.4371 46.8122 0.0000 173.4619 61 K 3.8598 7.9092 112.3528 57.1431 30.2238 177.0452 62 L 4.1036 7.5288 119.8183 55.9709 41.6054 177.4376 63 A 4.0399 7.2041 121.4030 53.8961 18.8432 178.7392 64 S 4.6015 7.2689 109.4577 57.2311 66.0319 174.2226 65 V 4.4656 7.8703 118.6039 59.0715 33.8152 173.6099 66 P 4.3183 0.0000 0.0000 63.5708 29.6594 176.3359 67 A 4.3123 8.1473 134.1068 51.7552 17.2123 175.8283 68 G 4.2269 7.6505 111.0800 43.1893 0.0000 172.2398 69 G 4.0056 8.7138 107.8438 45.7830 0.0000 173.4109 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 A 8.26 4.22 1.27 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 1 M 7.83 4.14 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 2 R 8.20 4.37 0.00 0.67 1.12 0.00 3.08 0.00 0.00 2.82 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.35 0.00 3 Y 7.18 4.64 0.00 3.07 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 4 V 7.84 3.80 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 0.88 0.00 0.00 0.88 0.00 0.00 5 A 8.06 4.01 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.11 4.17 0.00 4.14 4.20 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 7 Y 8.78 4.07 0.00 3.17 3.18 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 0.00 8 L 8.68 3.91 0.00 2.07 1.73 1.19 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.97 3.93 0.00 1.87 1.74 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.37 3.93 1.31 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 0.00 0.00 11 A 7.63 4.47 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 12 L 7.76 3.90 0.00 1.62 1.72 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.89 3.75 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 0.00 0.00 0.00 14 G 6.32 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.42 4.74 0.00 2.73 2.65 0.00 0.00 7.10 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 16 S 8.35 4.06 0.00 3.87 3.88 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 17 S 7.56 4.58 0.00 3.80 3.76 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 18 P 0.00 4.48 0.00 2.02 1.84 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.91 0.00 19 S 8.91 4.69 0.00 4.02 3.97 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 20 A 8.42 4.04 1.31 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 0.00 0.00 21 K 7.95 3.90 0.00 1.77 1.86 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.46 7.81 22 D 7.68 4.35 0.00 2.91 2.72 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 0.00 0.00 0.00 23 I 7.59 3.74 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.07 1.02 0.00 0.00 24 K 8.28 3.90 0.00 1.95 1.88 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.78 7.81 25 K 7.99 4.33 0.00 1.92 1.86 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.48 7.81 26 I 8.03 3.79 1.91 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 1.53 1.16 0.93 0.00 0.00 27 L 8.35 4.14 0.00 1.94 1.85 1.24 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.50 4.23 0.00 2.83 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 29 S 7.92 4.16 0.00 3.89 4.10 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 30 V 7.48 4.25 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 0.90 0.00 0.00 1.06 0.00 0.00 31 G 8.00 3.97 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 0.00 0.00 0.00 32 I 8.17 4.54 1.92 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 1.30 0.73 0.92 0.00 0.00 33 E 8.53 4.63 0.00 1.98 1.93 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 2.26 2.37 0.00 34 A 8.16 4.95 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 35 D 9.51 4.75 0.00 2.83 2.65 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 0.00 0.00 0.00 36 D 8.71 4.29 0.00 2.64 2.71 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 37 D 7.96 4.29 0.00 2.68 2.71 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 38 R 8.01 3.90 0.00 1.99 2.21 0.00 3.31 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.12 0.00 39 L 8.21 3.35 0.00 0.57 1.56 0.58 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.35 4.28 0.00 2.85 2.83 0.00 0.00 7.10 7.22 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 41 K 8.15 3.90 0.00 1.99 1.85 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.59 7.81 42 V 8.16 3.83 2.36 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 1.33 0.00 0.00 1.16 0.00 0.00 43 I 7.99 3.26 2.07 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 1.36 0.63 1.01 0.00 0.00 44 S 8.30 4.19 0.00 3.94 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 45 E 8.49 3.95 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 2.31 2.61 0.00 46 L 7.89 3.95 0.00 1.31 1.38 0.13 0.47 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 47 N 8.55 4.59 0.00 2.79 3.00 0.00 0.00 7.15 7.75 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 48 G 7.51 4.06 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 0.00 0.00 0.00 49 K 7.85 4.51 0.00 1.80 1.71 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.48 7.81 50 N 8.46 4.89 0.00 2.90 2.91 0.00 0.00 7.19 7.44 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 51 I 8.31 3.69 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.96 0.98 0.00 0.00 52 E 8.27 3.90 0.00 2.06 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 0.00 2.42 2.50 0.00 53 D 7.97 4.29 0.00 2.89 2.71 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 54 V 7.78 3.60 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 1.00 0.00 0.00 0.98 0.00 0.00 55 I 8.48 3.67 2.02 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 1.57 0.92 0.92 0.00 0.00 56 A 8.43 4.13 1.34 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 0.00 0.00 57 Q 8.14 4.38 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 58 G 7.85 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 0.00 0.00 0.00 59 I 8.58 3.89 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.52 0.93 0.00 0.00 60 G 8.59 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.91 3.86 0.00 1.92 1.94 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.35 7.81 62 L 7.53 4.10 0.00 1.82 1.65 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.20 4.04 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.27 4.60 0.00 3.94 3.84 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 65 V 7.87 4.47 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 0.73 0.00 0.00 0.93 0.00 0.00 66 P 0.00 4.32 0.00 2.19 2.15 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 67 A 8.15 4.31 1.27 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 68 G 7.65 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 0.00 0.00 0.00 0.00 69 G 8.71 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