NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.2722 8.4293 121.4405 55.8536 31.7497 176.3177 10 K 4.6536 7.5387 113.7774 55.9816 35.3170 173.9288 11 K 4.7702 8.5020 122.5063 55.8647 34.2992 176.4295 12 Y 5.4015 9.0760 121.3919 56.4618 43.1512 173.9630 13 I 5.0441 9.2458 122.0320 59.7187 40.2271 174.9049 14 V 4.3371 9.1100 127.7626 61.1135 33.1064 174.8389 15 G 3.2118 7.7326 116.1577 45.0746 0.0000 171.9657 16 F 5.1136 8.8132 121.3723 55.1857 42.0394 176.1508 17 K 4.5961 8.7244 121.9866 55.5372 33.6374 176.7762 18 Q 4.1138 8.6649 118.7976 58.1995 28.8927 176.2483 19 G 3.7231 9.2664 107.8325 46.0850 0.0000 173.2899 20 F 4.6363 7.7266 115.6229 56.5106 40.3992 176.5843 21 K 4.0482 8.4175 123.8711 59.3729 32.5125 178.1004 22 S 4.2582 7.7149 113.4656 58.0629 64.9834 175.3316 23 C 4.0672 8.6983 123.2670 59.8847 38.7890 175.6563 24 A 3.9150 7.9882 121.7265 55.3734 17.7961 179.6537 25 K 3.9567 7.9148 116.5631 59.4677 32.1244 179.8657 26 K 3.2653 7.6598 118.3145 59.1533 31.8341 179.0934 27 E 3.9632 8.6157 119.9498 59.3334 29.4749 178.6249 28 D 4.4295 8.0436 120.3288 56.6138 40.3960 178.9282 29 V 3.8421 7.4229 118.7672 65.6196 31.5510 178.2391 30 I 3.7707 7.7183 119.3987 64.3540 36.9365 178.6525 31 S 4.3984 8.6317 116.9499 60.7439 62.4765 176.1806 32 E 4.0915 8.4434 121.3370 58.6942 28.8352 178.3292 33 K 4.5844 7.5710 116.1936 55.8632 32.4628 177.3628 34 G 3.8815 8.3734 108.4948 44.9690 0.0000 173.9658 35 G 4.0179 8.0792 107.6436 45.1746 0.0000 173.2841 36 K 4.7682 8.6050 119.0139 53.8717 34.8258 176.0056 37 L 4.2598 8.7087 127.8740 56.0505 42.1937 175.6258 38 Q 4.5205 9.0475 124.9507 56.8846 30.2195 175.7298 39 K 4.5370 7.9369 118.8298 55.2338 36.1738 173.4225 40 C 4.7544 8.5624 124.2713 55.6528 41.4993 173.7752 41 F 4.8943 8.2747 122.1302 57.2230 39.5337 175.4845 42 K 4.0878 8.6039 123.0608 57.7605 32.9366 176.5441 43 Y 4.6039 7.6996 113.2905 59.3713 39.7103 176.5174 44 V 3.8097 7.8332 118.1090 63.1787 32.7851 176.4831 45 D 4.7745 8.7600 128.2681 52.3647 39.4655 173.8651 46 A 5.3021 7.5680 121.9217 51.7002 23.6404 175.8934 47 A 4.5055 8.8859 119.9068 50.3123 23.0501 176.2319 48 S 4.9155 8.2735 115.4397 58.4640 64.9461 173.0440 49 A 5.1047 8.8411 121.6467 51.3283 23.2299 175.0851 50 T 5.0165 8.8958 111.4635 60.4236 70.8714 173.8583 51 L 5.2087 8.6916 125.1459 52.8554 45.8546 176.4404 52 N 4.7821 8.6945 120.4650 51.7832 39.1437 175.7616 53 E 3.9429 8.7091 117.1590 59.3051 29.2898 179.4720 54 K 3.8686 8.0853 118.9510 59.5004 32.2729 178.5265 55 A 4.0338 8.3086 120.9955 54.9820 18.2439 179.6650 56 V 3.2192 7.5940 116.6727 66.1299 31.6612 177.9030 57 E 3.8997 8.0240 118.0922 59.7100 29.1359 179.4632 58 E 3.9608 8.0165 116.9904 59.1903 29.7407 179.1589 59 L 4.0004 8.1360 119.3787 57.6993 41.4838 179.3480 60 K 3.7467 7.6896 117.0453 59.7453 32.1765 178.9991 61 K 4.1763 7.6187 115.2635 56.8392 32.5163 176.8035 62 D 4.4716 7.6582 121.0673 52.9234 41.6012 175.1864 63 P 4.2950 0.0000 0.0000 65.7642 31.7218 177.7077 64 S 3.9759 8.7458 114.6095 60.3402 63.7567 174.2501 65 V 3.9814 7.4097 119.9857 61.3292 31.6463 175.8453 66 A 4.3955 8.4140 130.8763 54.6674 19.3574 176.7761 67 Y 4.7560 6.7422 110.4922 56.1335 41.3645 173.8858 68 V 4.9443 8.4950 120.3681 61.1813 33.9723 174.3481 69 E 5.0532 9.4504 125.3459 54.1622 33.3168 175.0473 70 E 4.0883 8.9383 120.4879 56.7936 30.2410 177.3840 71 D 4.8368 8.4819 125.6009 53.0651 39.2798 175.8979 72 K 4.3705 8.0921 121.5312 55.2216 34.5657 177.1404 73 L 4.5237 8.0796 119.5388 54.1722 42.6020 176.1358 74 Y 4.7490 8.5372 119.5372 56.2554 41.0851 175.2815 75 R 4.6940 8.2477 119.4600 53.9029 34.1975 175.2803 76 A 4.0723 8.5874 123.9008 52.7526 19.3626 178.5734 77 L 4.5446 8.2285 124.4188 53.6929 41.1163 176.6723 78 S 4.5762 7.4293 111.1206 56.5118 66.1918 173.0914 79 A 4.2970 8.5591 127.6250 52.3726 18.8379 177.0705 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 9 E 8.43 4.27 0.00 1.90 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 2.18 2.24 0.00 10 K 7.54 4.65 0.00 2.05 2.13 0.00 1.56 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.54 7.81 11 K 8.50 4.77 0.00 1.61 1.72 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.42 7.81 12 Y 9.08 5.40 0.00 2.94 2.90 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 13 I 9.25 5.04 2.15 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.90 1.31 0.00 0.00 14 V 9.11 4.34 1.99 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 0.37 0.00 0.00 0.86 0.00 0.00 15 G 7.73 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 0.00 0.00 0.00 16 F 8.81 5.11 0.00 2.87 2.92 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 17 K 8.72 4.60 0.00 1.75 1.90 0.00 1.96 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.36 7.81 18 Q 8.66 4.11 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.25 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 19 G 9.27 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 20 F 7.73 4.64 0.00 2.98 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.05 0.00 1.68 1.79 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.38 7.81 22 S 7.71 4.26 0.00 4.03 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 23 C 8.70 4.07 0.00 2.94 3.07 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 24 A 7.99 3.91 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 25 K 7.91 3.96 0.00 1.93 1.92 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.41 7.81 26 K 7.66 3.27 0.00 1.68 1.43 0.00 1.46 0.00 0.00 1.37 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 1.25 7.81 27 E 8.62 3.96 0.00 2.01 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 2.29 2.33 0.00 28 D 8.04 4.43 0.00 2.82 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 29 V 7.42 3.84 2.44 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 1.27 0.00 0.00 1.02 0.00 0.00 30 I 7.72 3.77 1.92 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.58 0.92 0.00 0.00 31 S 8.63 4.40 0.00 4.04 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 32 E 8.44 4.09 0.00 2.22 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 2.29 2.37 0.00 33 K 7.57 4.58 0.00 1.72 1.83 0.00 1.88 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.60 1.53 7.81 34 G 8.37 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 35 G 8.08 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.60 4.77 0.00 1.71 1.72 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.35 7.81 37 L 8.71 4.26 0.00 1.62 1.56 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 9.05 4.52 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.33 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 39 K 7.94 4.54 0.00 1.84 1.48 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.46 7.81 40 C 8.56 4.75 0.00 2.81 2.89 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 0.00 0.00 0.00 41 F 8.27 4.89 0.00 3.41 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 K 8.60 4.09 0.00 1.50 1.29 0.00 1.54 0.00 0.00 1.24 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.31 1.10 7.81 43 Y 7.70 4.60 0.00 3.05 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 44 V 7.83 3.81 2.13 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 0.97 0.00 0.00 0.91 0.00 0.00 45 D 8.76 4.77 0.00 2.90 2.78 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 46 A 7.57 5.30 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.89 4.51 1.18 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 0.00 0.00 48 S 8.27 4.92 0.00 3.94 4.02 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 0.00 0.00 0.00 49 A 8.84 5.10 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 50 T 8.90 5.02 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 1.24 0.00 0.00 51 L 8.69 5.21 0.00 1.39 1.44 1.07 0.67 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 52 N 8.69 4.78 0.00 2.96 2.99 0.00 0.00 6.26 7.66 0.00 0.00 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 E 8.71 3.94 0.00 2.04 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 2.43 2.41 0.00 54 K 8.09 3.87 0.00 1.80 1.93 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.49 7.81 55 A 8.31 4.03 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 56 V 7.59 3.22 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 0.74 0.00 0.00 0.11 0.00 0.00 57 E 8.02 3.90 0.00 2.15 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 2.30 2.62 0.00 58 E 8.02 3.96 0.00 2.07 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 2.31 2.46 0.00 59 L 8.14 4.00 0.00 1.59 1.52 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.69 3.75 0.00 1.85 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.60 7.81 61 K 7.62 4.18 0.00 1.71 1.83 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.48 7.81 62 D 7.66 4.47 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.10 2.13 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 64 S 8.75 3.98 0.00 3.50 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.41 3.98 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 0.46 0.00 0.00 0.53 0.00 0.00 66 A 8.41 4.40 1.18 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 0.00 0.00 67 Y 6.74 4.76 0.00 3.05 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 68 V 8.49 4.94 1.99 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 0.64 0.00 0.00 0.75 0.00 0.00 69 E 9.45 5.05 0.00 2.10 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 2.62 2.43 0.00 70 E 8.94 4.09 0.00 1.86 1.80 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 2.11 2.37 0.00 71 D 8.48 4.84 0.00 2.64 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 72 K 8.09 4.37 0.00 1.81 1.78 0.00 1.06 0.00 0.00 1.13 0.00 0.00 2.95 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.38 1.67 7.81 73 L 8.08 4.52 0.00 1.60 1.63 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.54 4.75 0.00 2.85 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 75 R 8.25 4.69 0.00 1.74 1.78 0.00 3.19 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 76 A 8.59 4.07 1.25 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 0.00 0.00 0.00 77 L 8.23 4.54 0.00 1.65 1.67 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.43 4.58 0.00 3.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.56 4.30 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