NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4832 8.2893 120.3490 54.6581 32.9379 177.2219 2 K 4.3959 9.0217 109.5442 53.4996 35.9521 174.2948 3 K 4.6268 9.2382 121.8085 55.1462 36.2478 175.9739 4 R 4.7365 7.9961 116.5181 54.7312 33.0682 175.0350 5 L 4.4928 7.9694 118.9122 54.4841 44.8471 174.2622 6 T 4.6093 8.3621 120.8693 61.7183 70.5354 173.6683 7 I 4.7532 8.0159 117.9811 59.2920 41.0026 174.1055 8 T 4.6607 8.2012 108.9313 59.9669 71.1561 173.1542 9 L 4.8502 8.1732 123.7542 51.8865 45.9173 176.9524 10 S 4.2337 8.4898 117.4836 58.2758 64.2918 175.0126 11 E 3.8574 8.9480 127.1738 59.6218 29.2288 179.3638 12 S 4.1690 8.0470 113.3887 61.6180 63.0403 176.4468 13 V 3.5285 7.7123 122.1338 65.0890 31.2399 177.2309 14 L 3.8697 8.5061 120.2751 58.5590 41.8986 178.2914 15 E 3.9614 8.7301 118.6759 59.9106 29.4104 178.9424 16 N 4.2250 8.5788 116.6499 56.7997 39.0651 176.3939 17 L 3.9210 8.3911 121.7453 58.3259 42.1768 178.2088 18 E 3.8841 8.8673 119.5633 59.4653 29.4640 178.8406 19 K 3.8737 8.4140 119.5063 59.9073 32.3197 178.4617 20 M 4.0267 8.7618 118.9749 58.5823 31.9023 178.3810 21 A 3.9500 8.5924 120.9948 55.0362 18.2353 179.2364 22 R 3.8118 8.0816 116.3506 60.0327 29.9431 178.6568 23 E 4.0352 8.1306 116.4149 59.0176 29.5675 178.2218 24 M 4.3977 8.0366 116.2293 54.2700 32.5649 176.1094 25 G 3.8775 7.7005 106.8225 46.9310 0.0000 173.6734 26 L 4.8168 7.6819 117.7700 51.9793 45.0810 177.4344 27 S 4.5177 8.1797 115.4362 57.6088 65.4781 175.3797 28 K 3.9197 8.4652 121.5539 59.7538 31.6892 179.6681 29 S 4.0961 8.0745 114.5966 61.6587 62.8313 176.1373 30 A 3.9518 8.4205 123.7089 55.2680 18.1447 178.9444 31 M 3.8139 8.3417 116.2788 59.0832 32.3054 178.6880 32 I 3.6697 7.8708 119.4723 64.4355 37.3170 178.2451 33 S 4.0596 8.2034 114.0761 61.3737 62.1413 176.2470 34 V 3.5201 8.3080 120.8550 66.0032 31.1839 177.5168 35 A 4.0262 8.3965 120.6782 55.5458 18.1462 179.1056 36 L 4.2592 8.4928 117.3451 58.2038 41.6696 179.3122 37 E 3.9647 8.8254 118.2585 59.8715 29.5897 179.1819 38 N 4.2684 8.8598 116.8553 56.8717 38.7788 175.9421 39 Y 4.0788 8.7126 120.9596 60.6393 39.1950 177.9987 40 K 3.8388 8.7132 119.8292 60.4407 32.7179 178.8862 41 K 4.1285 8.3845 122.0422 58.3436 33.1665 177.2836 42 G 4.0886 7.7556 105.6618 44.1249 0.0000 173.2271 43 Q 4.3080 8.0707 115.1483 56.1368 34.0531 175.8738 44 E 4.1879 7.6489 120.4790 56.3879 29.5883 175.7825 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 M 8.29 4.48 0.00 1.99 1.75 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 9.02 4.40 0.00 1.91 1.71 0.00 1.47 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.55 7.81 3 K 9.24 4.63 0.00 1.85 1.85 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.41 7.81 4 R 8.00 4.74 0.00 1.78 1.84 0.00 3.24 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 5 L 7.97 4.49 0.00 1.54 1.48 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.36 4.61 4.24 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 1.21 0.00 0.00 7 I 8.02 4.75 1.86 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 1.46 0.65 0.90 0.00 0.00 8 T 8.20 4.66 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 1.20 0.00 0.00 9 L 8.17 4.85 0.00 1.58 1.54 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.49 4.23 0.00 3.85 3.78 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 0.00 0.00 0.00 11 E 8.95 3.86 0.00 1.98 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 2.39 2.35 0.00 12 S 8.05 4.17 0.00 4.08 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 13 V 7.71 3.53 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 0.85 0.00 0.00 0.92 0.00 0.00 14 L 8.51 3.87 0.00 1.66 1.83 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.73 3.96 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.89 0.00 16 N 8.58 4.23 0.00 2.72 2.96 0.00 0.00 6.96 6.32 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 17 L 8.39 3.92 0.00 1.73 1.96 0.92 0.85 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 18 E 8.87 3.88 0.00 2.15 2.18 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 2.32 2.39 0.00 19 K 8.41 3.87 0.00 1.93 1.95 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.48 7.81 20 M 8.76 4.03 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.57 0.00 21 A 8.59 3.95 1.39 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 0.00 0.00 22 R 8.08 3.81 0.00 2.06 2.14 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 23 E 8.13 4.04 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 24 M 8.04 4.40 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 25 G 7.70 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 0.00 0.00 0.00 26 L 7.68 4.82 0.00 1.62 1.55 0.92 0.90 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 27 S 8.18 4.52 0.00 4.05 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 28 K 8.47 3.92 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.53 7.81 29 S 8.07 4.10 0.00 3.86 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 30 A 8.42 3.95 1.39 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 0.00 0.00 31 M 8.34 3.81 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 32 I 7.87 3.67 2.04 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 1.40 0.73 0.90 0.00 0.00 33 S 8.20 4.06 0.00 3.88 4.04 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 0.00 0.00 0.00 34 V 8.31 3.52 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 0.97 0.00 0.00 0.99 0.00 0.00 35 A 8.40 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.49 4.26 0.00 1.94 1.77 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.83 3.96 0.00 2.10 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 2.57 2.51 0.00 38 N 8.86 4.27 0.00 2.77 3.07 0.00 0.00 6.94 8.21 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 39 Y 8.71 4.08 0.00 2.92 3.26 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 40 K 8.71 3.84 0.00 2.00 2.14 0.00 1.43 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.66 1.47 7.81 41 K 8.38 4.13 0.00 1.94 2.04 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.53 7.81 42 G 7.76 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 0.00 0.00 0.00 43 Q 8.07 4.31 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.78 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 44 E 7.65 4.19 0.00 2.03 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 2.27 2.25 0.00