NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3518 8.2649 123.5827 52.1249 18.8378 174.6244 3 K 4.2974 7.6171 118.8155 55.7132 35.3340 173.2804 4 E 4.6715 8.6352 118.0527 54.8206 34.2545 174.6912 5 L 4.7838 8.4139 122.8450 52.9931 45.2009 176.2756 6 R 4.5638 8.3503 121.7730 54.5209 31.9144 177.0531 7 C 4.4493 8.4119 117.4662 56.9959 40.8011 174.4336 8 Q 3.8940 8.8188 120.6497 58.2488 28.5173 177.3305 9 C 4.9313 8.5655 115.1040 55.2838 41.9014 173.5709 10 I 3.8957 8.4399 126.0915 62.0932 37.5378 175.5573 11 K 4.6619 7.8011 118.9670 54.4656 34.9918 173.4668 12 T 4.9245 8.0287 109.8440 60.2178 71.8506 171.8715 13 Y 4.6600 8.5716 122.5394 56.3596 39.3945 175.5466 14 S 4.8351 8.1557 123.8235 57.7749 63.8582 174.7256 15 K 4.0340 7.5473 122.5971 54.9966 33.3106 173.4421 16 P 2.9700 0.0000 0.0000 62.0745 31.7933 176.2759 17 F 4.9389 7.2308 115.0880 55.8900 40.8986 172.6344 18 H 5.0004 9.2008 118.4285 54.0352 32.0951 173.7808 19 P 4.6472 0.0000 0.0000 64.6018 31.4919 178.1090 20 K 3.9621 8.5587 118.8821 59.1620 32.2248 177.1170 21 F 4.5403 8.3034 115.8898 57.9739 39.4751 175.1430 22 I 4.4980 8.1112 122.8645 60.1793 37.8193 175.5020 23 K 4.7520 8.4029 122.9891 56.3209 35.0418 176.2530 24 E 4.7088 7.8735 120.0331 54.1751 32.9788 173.9945 25 L 4.8885 8.5682 127.8195 53.5146 44.9991 175.6654 26 R 4.6469 8.9355 122.9560 54.7429 34.5425 174.0836 27 V 4.7433 8.5676 123.6517 61.0665 34.2804 174.4026 28 I 4.4995 8.4570 128.7208 59.4128 39.5219 175.2791 29 E 4.6303 9.1581 128.2651 54.3535 30.9839 175.9113 30 S 4.0962 8.2180 117.0882 59.3497 63.3036 174.1907 31 G 4.3875 8.9785 114.1232 42.7862 0.0000 171.1242 32 P 4.5181 0.0000 0.0000 64.2175 31.1018 176.2034 33 H 4.8637 8.2077 112.9826 55.4495 30.7108 174.3552 34 C 4.7229 7.9546 119.8836 54.8472 46.1616 173.4964 35 A 4.8356 8.5710 128.8317 52.1332 19.7401 176.3641 36 N 4.8836 7.6322 118.2937 54.2194 43.4350 173.2326 37 T 5.1474 8.5432 117.5552 62.9094 73.1675 173.0760 38 E 4.5610 8.9065 123.7408 54.8126 34.1534 174.7161 39 I 4.5040 8.4136 125.3075 60.1317 38.2584 175.2160 40 I 4.6508 8.9761 129.1867 60.5730 39.4466 175.3866 41 V 4.7439 8.1851 121.6008 60.5228 35.5516 173.5410 42 K 4.9830 8.9964 120.6681 54.6897 35.7151 175.6114 43 L 5.1798 8.9620 125.0977 52.6056 42.9893 177.9615 44 S 4.1821 9.0329 117.3661 61.6444 62.6690 175.4745 45 D 4.3762 8.0115 118.2975 54.5186 38.9873 176.6120 46 G 3.8195 8.6934 108.4294 46.1345 0.0000 173.2575 47 R 4.8417 7.9714 117.6342 53.8387 33.8621 174.9109 48 E 4.9733 8.4407 117.4886 54.9948 32.5072 174.5320 49 L 4.9592 8.4402 122.4837 53.0484 46.8488 174.1425 50 C 5.2553 8.5962 115.0951 55.6699 43.8850 173.8089 51 L 5.1571 8.5735 123.0223 53.1396 44.2674 175.8022 52 D 4.6854 8.2664 120.4865 51.9873 41.5592 175.2480 53 P 4.2187 0.0000 0.0000 63.9692 31.3271 177.3616 54 K 4.0693 7.8415 118.8109 57.5449 32.5506 176.2064 55 E 4.5515 7.9135 119.2459 55.0628 31.1472 176.8252 56 N 4.2834 8.6462 120.8089 56.0502 38.7510 177.7509 57 W 4.2582 8.0274 117.4326 59.1659 28.1582 178.4077 58 V 3.0110 6.2137 119.4694 65.5520 30.7601 177.6462 59 Q 3.9698 7.6136 118.9707 58.2670 28.7041 177.7704 60 R 3.9871 7.6049 119.5804 59.2734 30.4038 178.3650 61 V 3.6166 7.8895 112.0976 64.4226 31.5528 178.9204 62 V 3.7105 7.7742 117.9828 65.7857 31.3946 177.6619 63 E 3.9823 7.9483 118.9493 59.2700 29.4580 178.9708 64 K 3.9787 8.4778 118.9172 59.3383 32.1248 178.8733 65 F 4.2005 8.0839 120.9567 61.4733 39.2583 177.2666 66 L 3.7998 7.8963 117.9142 57.6931 41.6035 179.4887 67 K 3.9776 8.2038 119.3851 58.9119 32.0207 178.8832 68 R 3.8731 8.2327 119.4848 59.0985 29.9673 178.2201 69 A 3.8640 7.8047 119.3437 54.3873 18.2615 178.8272 70 E 4.0078 7.7591 117.5792 59.1860 29.9397 177.9637 71 N 4.4082 7.8034 115.4955 56.1461 39.0537 175.0751 72 S 4.3489 7.7799 118.5862 58.6211 62.6161 173.4237 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 2 A 8.26 4.35 1.28 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 0.00 0.00 0.00 3 K 7.62 4.30 0.00 1.76 1.74 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.59 7.81 4 E 8.64 4.67 0.00 1.89 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 2.21 2.32 0.00 5 L 8.41 4.78 0.00 1.59 1.56 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.35 4.56 0.00 1.81 1.85 0.00 3.38 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 7 C 8.41 4.45 0.00 2.95 3.31 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 8 Q 8.82 3.89 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 9 C 8.57 4.93 0.00 3.22 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 10 I 8.44 3.90 1.89 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 1.31 0.52 0.92 0.00 0.00 11 K 7.80 4.66 0.00 1.70 1.72 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.40 7.81 12 T 8.03 4.92 4.37 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 1.32 0.00 0.00 13 Y 8.57 4.66 0.00 3.20 3.32 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 0.00 0.00 0.00 0.00 14 S 8.16 4.84 0.00 3.99 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 15 K 7.55 4.03 0.00 1.14 1.58 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.27 7.81 16 P 0.00 2.97 0.00 1.62 0.93 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 0.00 17 F 7.23 4.94 0.00 3.22 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 18 H 9.20 5.00 0.00 3.31 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.65 0.00 2.32 2.32 0.00 3.41 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 20 K 8.56 3.96 0.00 1.52 1.14 0.00 1.59 0.00 0.00 1.42 0.00 0.00 2.68 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.17 1.35 7.81 21 F 8.30 4.54 0.00 3.14 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 22 I 8.11 4.50 2.03 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.31 0.00 0.00 23 K 8.40 4.75 0.00 1.63 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.52 7.81 24 E 7.87 4.71 0.00 2.00 1.69 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 0.00 2.23 2.28 0.00 25 L 8.57 4.89 0.00 1.30 1.59 0.77 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.94 4.65 0.00 1.71 1.75 0.00 3.10 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 27 V 8.57 4.74 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 0.78 0.00 0.00 0.95 0.00 0.00 28 I 8.46 4.50 1.90 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 1.12 0.86 0.96 0.00 0.00 29 E 9.16 4.63 0.00 1.99 1.86 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 2.29 2.15 0.00 30 S 8.22 4.10 0.00 3.95 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 31 G 8.98 4.39 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 0.00 32 P 0.00 4.52 0.00 2.19 2.20 0.00 3.50 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 33 H 8.21 4.86 0.00 3.46 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 7.95 4.72 0.00 2.38 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 4.84 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 36 N 7.63 4.88 0.00 2.57 2.57 0.00 0.00 6.76 7.04 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 37 T 8.54 5.15 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 38 E 8.91 4.56 0.00 1.90 1.79 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 2.20 2.26 0.00 39 I 8.41 4.50 1.85 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 1.34 0.76 0.91 0.00 0.00 40 I 8.98 4.65 1.97 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 1.29 0.75 0.97 0.00 0.00 41 V 8.19 4.74 2.05 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 0.73 0.00 0.00 0.88 0.00 0.00 42 K 9.00 4.98 0.00 1.58 1.65 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.33 7.81 43 L 8.96 5.18 0.00 1.61 1.70 0.66 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.03 4.18 0.00 4.00 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 45 D 8.01 4.38 0.00 2.76 2.84 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 46 G 8.69 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 47 R 7.97 4.84 0.00 1.77 1.73 0.00 3.02 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 48 E 8.44 4.97 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 49 L 8.44 4.96 0.00 1.38 1.41 0.50 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.60 5.26 0.00 2.99 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 51 L 8.57 5.16 0.00 1.53 1.55 1.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.27 4.69 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.01 2.02 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 54 K 7.84 4.07 0.00 1.79 1.78 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.38 7.81 55 E 7.91 4.55 0.00 1.16 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 2.20 2.32 0.00 56 N 8.65 4.28 0.00 2.83 2.88 0.00 0.00 6.89 7.67 0.00 0.00 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 W 8.03 4.26 0.00 3.53 3.29 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 58 V 6.21 3.01 1.56 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 0.67 0.00 0.00 -0.77 0.00 0.00 59 Q 7.61 3.97 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 60 R 7.60 3.99 0.00 2.09 1.92 0.00 3.27 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 61 V 7.89 3.62 1.92 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 0.88 0.00 0.00 0.90 0.00 0.00 62 V 7.77 3.71 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 1.00 0.00 0.00 0.93 0.00 0.00 63 E 7.95 3.98 0.00 2.15 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 0.00 2.31 2.36 0.00 64 K 8.48 3.98 0.00 2.06 1.87 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.46 7.81 65 F 8.08 4.20 0.00 3.11 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.90 3.80 0.00 1.92 1.68 0.98 0.76 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 67 K 8.20 3.98 0.00 1.95 1.78 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 68 R 8.23 3.87 0.00 1.88 1.92 0.00 3.15 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 69 A 7.80 3.86 0.80 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 0.00 0.00 0.00 0.00 0.00 70 E 7.76 4.01 0.00 1.99 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 2.27 2.27 0.00 71 N 7.80 4.41 0.00 2.78 2.85 0.00 0.00 7.19 6.94 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 72 S 7.78 4.35 0.00 4.04 3.69 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 0.00 0.00 0.00 0.00