NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3664 8.1744 110.9440 61.2013 70.5976 173.5057 6 N 4.8387 7.9086 120.5383 53.0774 39.4747 173.0879 7 S 4.4974 8.8510 112.9941 57.4547 65.0500 173.3770 8 D 4.7460 8.6112 122.7172 55.2535 41.9639 175.3697 9 F 5.2998 7.7529 113.5894 55.9704 41.6096 173.6906 10 V 4.5024 9.2838 112.4627 59.4989 35.2863 175.0711 11 V 4.8577 8.4792 123.1928 61.3325 33.8063 174.3977 12 I 4.9812 8.9350 129.1892 59.5257 40.1545 174.2505 13 K 4.9821 9.0691 129.3998 54.6370 34.2427 175.0588 14 A 4.5817 8.6979 129.6915 51.6459 19.7066 177.4578 15 L 4.8354 8.7395 121.6601 54.3942 42.5863 175.8323 16 E 4.6542 7.6569 115.6333 55.0951 32.1036 174.4713 17 D 4.4525 8.4690 119.3064 55.2901 41.3562 176.1181 18 G 3.8495 8.5258 107.2780 46.6830 0.0000 174.0518 19 V 3.9547 7.7663 120.0990 62.4661 33.0392 174.2520 20 N 5.2211 8.7861 125.5363 51.7506 40.8047 174.0415 21 V 4.5435 8.5982 124.5826 61.4461 33.4564 174.1572 22 I 4.4864 8.6650 130.5881 59.3502 39.2859 175.3565 23 G 4.1123 8.5599 115.6741 45.2624 0.0000 172.9710 24 L 5.0735 9.1394 127.4431 54.2345 43.3465 176.7214 25 T 4.6434 8.6118 113.4577 61.4163 69.4575 174.4683 26 R 4.0785 7.9357 126.5209 57.2464 31.0515 174.8276 27 G 3.7611 8.8930 109.4323 44.1879 0.0000 173.8212 28 A 4.1527 8.6780 121.0866 53.8784 18.6211 177.2551 29 D 4.9941 7.5135 114.0025 52.7559 43.3634 176.6111 30 T 4.5289 8.3289 123.1118 61.5098 68.1791 172.7477 31 R 4.6772 8.6112 122.7158 53.9272 33.4702 175.6580 32 F 5.2008 8.6258 118.0668 57.7438 39.0581 175.6782 33 H 5.0122 9.0527 118.3146 56.1227 30.3749 173.5500 34 H 4.7215 7.5546 117.2790 55.4132 33.3823 172.5941 35 S 4.5910 7.5986 117.3146 56.8457 64.4201 172.2343 36 E 4.4621 8.7730 129.3041 54.9163 31.2286 174.7085 37 K 4.9590 8.5807 125.9169 54.8456 34.0871 175.4276 38 L 4.8964 9.0695 125.5748 53.1499 44.2516 176.2365 39 D 4.9253 9.3200 123.8762 52.5955 43.1528 175.9438 40 K 4.1285 8.9106 122.2137 58.5431 32.2709 176.8842 41 G 4.0516 8.9161 115.5267 45.1393 0.0000 173.5450 42 E 4.2339 8.0960 119.7536 56.2643 30.8035 176.0660 43 V 4.8766 8.3071 122.4293 61.0084 34.2089 174.1217 44 L 4.6701 8.9721 130.0590 53.3157 44.5861 174.9366 45 I 4.9247 8.4910 126.7456 59.7508 38.6195 174.3801 46 A 4.7651 8.7536 129.1617 50.0254 21.7681 175.2297 47 Q 4.9335 8.4579 119.8377 54.5267 30.8470 175.6342 48 F 4.5606 8.4275 121.1534 57.9039 39.5192 175.1139 49 T 4.7581 9.0129 112.2664 59.7655 71.9456 173.9214 50 E 3.9700 8.9516 120.9320 59.3290 29.6925 177.3271 51 H 4.5853 8.2341 114.1429 56.1599 29.8764 174.3092 52 T 5.6267 7.9615 115.6059 60.6889 70.8874 174.4245 53 S 5.0559 8.7736 119.0185 57.7133 65.0842 173.1028 54 A 4.9042 7.8308 120.0470 51.4922 22.3154 175.4637 55 I 5.0018 8.6601 121.5149 59.3397 40.7319 174.6669 56 K 4.5427 9.0499 128.3480 54.6020 34.4546 174.7267 57 V 4.7641 8.3911 126.9235 61.2446 33.5641 174.5408 58 R 4.4857 9.0087 127.3308 55.6871 32.3851 176.8845 59 G 4.0641 8.9643 109.3127 44.1361 0.0000 172.3435 60 K 4.9502 9.0640 119.7214 56.0648 32.8033 175.5730 61 A 5.1099 8.7078 128.5257 50.7852 23.4438 173.6054 62 Y 4.9005 9.3406 121.4034 56.1655 40.9492 174.5111 63 I 4.8387 8.0831 127.0764 59.4676 40.8331 174.3323 64 Q 4.9051 9.1097 126.3938 54.2844 31.7357 174.9389 65 T 4.6453 8.6783 114.1546 59.0838 72.1022 174.7440 66 R 3.7379 8.5105 120.8384 59.3213 29.7336 176.2924 67 H 4.8392 9.8501 112.6643 55.3853 30.2779 175.4189 68 G 3.7908 6.3171 108.0913 44.9594 0.0000 172.5040 69 V 4.8431 7.6224 116.4543 59.9113 35.5119 175.0949 70 I 4.4175 8.0729 121.1291 60.2360 41.7869 172.8242 71 E 5.2832 8.8021 126.8738 54.6882 31.9867 175.5064 72 S 4.8012 8.8226 118.0002 57.1622 65.6589 172.6583 73 E 4.9552 8.6838 120.8188 54.5091 32.0589 176.3674 74 G 3.7302 8.6663 111.7181 45.7969 0.0000 173.4043 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 5 T 8.17 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 1.22 0.00 0.00 6 N 7.91 4.84 0.00 2.76 2.83 0.00 0.00 7.13 6.75 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 7 S 8.85 4.50 0.00 4.08 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 8 D 8.61 4.75 0.00 2.70 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 7.75 5.30 0.00 2.94 2.96 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 10 V 9.28 4.50 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 0.67 0.00 0.00 0.82 0.00 0.00 11 V 8.48 4.86 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 1.06 0.00 0.00 1.15 0.00 0.00 12 I 8.94 4.98 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.67 0.91 0.00 0.00 13 K 9.07 4.98 0.00 1.94 1.83 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 14 A 8.70 4.58 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.74 4.84 0.00 1.63 1.70 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.66 4.65 0.00 2.03 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 2.19 2.32 0.00 17 D 8.47 4.45 0.00 2.69 2.64 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 18 G 8.53 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 19 V 7.77 3.95 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 0.91 0.00 0.00 1.03 0.00 0.00 20 N 8.79 5.22 0.00 2.65 2.61 0.00 0.00 6.11 7.69 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 21 V 8.60 4.54 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 0.90 0.00 0.00 0.89 0.00 0.00 22 I 8.67 4.49 1.43 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.35 -0.30 0.00 0.00 23 G 8.56 4.11 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 0.00 24 L 9.14 5.07 0.00 1.85 1.70 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.61 4.64 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 26 R 7.94 4.08 0.00 1.88 1.98 0.00 3.15 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 27 G 8.89 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 0.00 0.00 0.00 28 A 8.68 4.15 1.29 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 0.00 0.00 29 D 7.51 4.99 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.33 4.53 4.27 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 1.28 0.00 0.00 31 R 8.61 4.68 0.00 1.86 2.05 0.00 2.79 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 32 F 8.63 5.20 0.00 2.85 2.95 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 33 H 9.05 5.01 0.00 3.16 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.55 4.72 0.00 3.21 2.99 0.00 5.82 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.60 4.59 0.00 3.69 3.57 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 0.00 0.00 0.00 0.00 36 E 8.77 4.46 0.00 2.20 1.76 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 2.25 2.32 0.00 37 K 8.58 4.96 0.00 1.63 1.70 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.48 7.81 38 L 9.07 4.90 0.00 1.52 1.55 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.32 4.93 0.00 2.57 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 40 K 8.91 4.13 0.00 1.60 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.40 7.81 41 G 8.92 4.05 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 0.00 0.00 0.00 42 E 8.10 4.23 0.00 2.15 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 2.32 2.25 0.00 43 V 8.31 4.88 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 8.97 4.67 0.00 1.75 1.46 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 4.92 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.58 0.00 0.00 46 A 8.75 4.77 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.46 4.93 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 48 F 8.43 4.56 0.00 3.08 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 49 T 9.01 4.76 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 50 E 8.95 3.97 0.00 1.94 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 2.09 2.28 0.00 51 H 8.23 4.59 0.00 3.26 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.96 5.63 4.35 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 1.41 0.00 0.00 53 S 8.77 5.06 0.00 3.84 4.07 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 54 A 7.83 4.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.66 5.00 1.86 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.89 0.00 0.00 56 K 9.05 4.54 0.00 1.78 1.52 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.37 7.81 57 V 8.39 4.76 2.06 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 9.01 4.49 0.00 1.76 1.79 0.00 3.17 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 59 G 8.96 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 60 K 9.06 4.95 0.00 1.89 1.74 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.35 7.81 61 A 8.71 5.11 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 62 Y 9.34 4.90 0.00 3.02 2.85 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 63 I 8.08 4.84 1.88 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 1.17 0.46 0.83 0.00 0.00 64 Q 9.11 4.91 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.04 0.00 65 T 8.68 4.65 4.16 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 1.17 0.00 0.00 66 R 8.51 3.74 0.00 1.57 1.70 0.00 3.16 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 1.52 1.59 0.00 67 H 9.85 4.84 0.00 3.12 3.26 0.00 5.72 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 68 G 6.32 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 69 V 7.62 4.84 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 0.71 0.00 0.00 0.99 0.00 0.00 70 I 8.07 4.42 1.83 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 1.21 1.31 0.85 0.00 0.00 71 E 8.80 5.28 0.00 1.92 1.88 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 2.55 2.46 0.00 72 S 8.82 4.80 0.00 3.89 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 73 E 8.68 4.96 0.00 1.84 1.88 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 2.21 2.28 0.00 74 G 8.67 3.73 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 0.00 0.00 0.00