NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0946 8.0544 120.4155 62.7185 32.5748 174.1201 7 D 4.8019 8.7816 126.6572 52.4808 43.3450 174.6941 8 C 4.9932 8.4946 123.1373 56.7867 41.6723 175.4993 9 S 4.0198 8.1502 117.7995 61.3870 62.5887 174.7540 10 E 4.2306 8.3490 118.8189 56.4300 29.2478 175.0802 11 Y 4.3961 7.8458 115.4137 55.5043 40.3202 173.3901 12 P 5.1094 0.0000 0.0000 62.0609 32.8046 175.3323 13 K 4.5798 8.9247 117.9591 53.7288 34.6364 176.1175 14 P 4.2802 0.0000 0.0000 64.8424 31.6636 175.9891 15 A 4.7283 7.2317 120.4709 51.1494 22.2562 174.6460 16 C 5.1284 8.3925 116.7480 54.9621 43.9079 174.6032 17 T 4.3170 8.4673 113.1891 62.0142 69.2261 173.9205 18 T 4.6832 8.1061 110.5051 61.1092 69.2626 174.3415 19 E 4.2865 8.2259 118.8344 57.0153 30.9900 175.0153 20 Y 4.8645 8.4112 121.1865 56.4771 39.6250 176.1289 21 R 4.6176 8.5661 127.6689 53.7545 32.4272 172.6549 22 P 4.5796 0.0000 0.0000 62.6711 33.0799 175.7698 23 L 5.0021 8.9478 120.8922 53.0931 46.2798 174.5625 24 C 4.9269 8.7232 122.7349 54.9338 44.9746 173.7619 25 G 4.6237 8.9959 114.4246 45.2636 0.0000 174.3145 26 S 4.4663 9.0935 114.7940 59.8309 63.0865 174.6335 27 D 4.6510 8.1108 119.9587 52.9861 39.3976 176.3262 28 N 4.2556 8.1700 114.9317 54.0730 36.9284 173.3291 29 K 4.4295 8.1197 120.6031 55.1261 34.1370 175.5653 30 T 4.6417 8.3250 124.2431 63.5392 69.2740 173.5009 31 Y 4.2975 9.3610 125.5054 56.3551 39.3292 177.4323 32 G 3.7237 9.0676 113.3018 48.6428 0.0000 172.4141 33 N 5.2189 7.6482 116.8407 51.5539 40.8976 175.0930 34 K 3.9328 8.4972 120.9402 59.8015 32.1379 178.9797 35 C 4.6256 8.2014 119.5413 59.2918 39.7458 175.1398 36 N 4.3575 8.8679 118.3509 56.2179 38.1010 177.1262 37 F 3.3603 8.3101 121.9356 61.4649 39.4960 176.6096 38 C 3.7123 8.2640 116.3778 59.7631 39.4050 175.9430 39 N 4.2636 8.0092 118.0141 56.0578 38.1083 177.3541 40 A 3.8516 7.6478 122.3082 54.9307 18.3693 179.7606 41 V 3.1724 7.1823 116.8691 65.9583 31.3960 178.4791 42 V 3.4936 7.5153 117.8993 66.0194 31.2103 177.6853 43 E 3.9271 8.2401 118.1865 58.5663 29.6082 177.8280 44 S 4.4327 7.8863 112.8391 57.1838 63.3545 173.5372 45 N 4.2932 9.0373 119.8484 55.1237 37.5120 174.7816 46 G 3.8975 8.3288 102.4142 45.7900 0.0000 175.3111 47 T 4.1119 7.4829 110.8284 62.9678 69.4918 175.3179 48 L 4.1830 7.7785 124.3914 54.6901 42.7494 175.3943 49 T 4.8722 8.6657 114.8407 59.5696 73.0051 172.1757 50 L 4.1903 8.4565 124.0239 54.9865 42.1776 176.0099 51 S 4.4489 9.0039 122.7580 60.4262 62.9223 173.3247 52 H 4.4435 7.1751 112.1792 54.9016 31.1529 172.7996 53 F 4.3416 8.7869 117.9541 57.9592 39.6551 176.4654 54 G 3.9109 8.4664 110.2289 44.3246 0.0000 173.3573 55 K 4.1909 8.0723 117.2294 56.3223 32.6518 178.2259 56 C 4.5110 8.8011 118.2400 57.4690 41.0900 173.8434 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 6 V 8.05 4.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.05 0.00 0.00 7 D 8.78 4.80 0.00 2.75 2.57 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 8 C 8.49 4.99 0.00 2.95 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 9 S 8.15 4.02 0.00 4.00 4.12 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 10 E 8.35 4.23 0.00 1.96 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 2.08 2.25 0.00 11 Y 7.85 4.40 0.00 3.33 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 12 P 0.00 5.11 0.00 2.22 2.12 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 13 K 8.92 4.58 0.00 1.77 1.62 0.00 0.98 0.00 0.00 1.52 0.00 0.00 2.63 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.01 0.56 7.81 14 P 0.00 4.28 0.00 2.17 2.17 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 15 A 7.23 4.73 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 16 C 8.39 5.13 0.00 2.99 3.03 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 17 T 8.47 4.32 4.28 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 1.24 0.00 0.00 18 T 8.11 4.68 4.29 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 1.26 0.00 0.00 19 E 8.23 4.29 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 20 Y 8.41 4.86 0.00 2.86 2.94 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 0.00 0.00 0.00 21 R 8.57 4.62 0.00 1.66 1.72 0.00 3.19 0.00 0.00 3.21 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 22 P 0.00 4.58 0.00 1.95 1.63 0.00 3.31 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.62 0.00 23 L 8.95 5.00 0.00 1.39 1.08 0.52 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.72 4.93 0.00 2.88 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.00 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 26 S 9.09 4.47 0.00 4.00 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 27 D 8.11 4.65 0.00 2.84 2.86 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 28 N 8.17 4.26 0.00 2.93 2.99 0.00 0.00 6.74 7.25 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 29 K 8.12 4.43 0.00 1.75 1.67 0.00 1.45 0.00 0.00 1.15 0.00 0.00 2.40 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.61 1.13 7.81 30 T 8.32 4.64 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 31 Y 9.36 4.30 0.00 3.07 3.03 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 32 G 9.07 3.72 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 0.00 0.00 0.00 33 N 7.65 5.22 0.00 2.99 3.07 0.00 0.00 6.36 7.07 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 34 K 8.50 3.93 0.00 1.88 1.91 0.00 1.80 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.51 1.54 7.81 35 C 8.20 4.63 0.00 3.20 3.34 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 36 N 8.87 4.36 0.00 3.07 3.09 0.00 0.00 6.69 8.98 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 37 F 8.31 3.36 0.00 2.99 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 38 C 8.26 3.71 0.00 1.50 1.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.01 4.26 0.00 2.86 2.88 0.00 0.00 6.84 7.58 0.00 0.00 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 A 7.65 3.85 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.18 3.17 1.77 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 0.79 0.00 0.00 -0.03 0.00 0.00 42 V 7.52 3.49 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 1.02 0.00 0.00 1.03 0.00 0.00 43 E 8.24 3.93 0.00 2.07 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 0.00 2.31 2.31 0.00 44 S 7.89 4.43 0.00 4.05 4.09 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 0.00 0.00 0.00 45 N 9.04 4.29 0.00 2.80 2.88 0.00 0.00 7.15 8.78 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 46 G 8.33 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 0.00 0.00 0.00 47 T 7.48 4.11 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 1.23 0.00 0.00 48 L 7.78 4.18 0.00 1.50 1.37 1.04 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.67 4.87 4.26 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 1.21 0.00 0.00 50 L 8.46 4.19 0.00 1.30 1.40 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.00 4.45 0.00 3.85 3.92 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 0.00 0.00 0.00 52 H 7.18 4.44 0.00 3.21 3.29 0.00 5.70 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 53 F 8.79 4.34 0.00 3.05 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 54 G 8.47 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 0.00 0.00 0.00 55 K 8.07 4.19 0.00 1.81 1.80 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.55 7.81 56 C 8.80 4.51 0.00 2.95 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