NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 K 4.0567 8.2993 121.7701 56.6268 33.2572 175.1229 22 T 4.2098 7.8231 113.7640 60.3193 70.2464 170.0282 23 E 5.1292 7.7508 121.8427 54.7682 34.9607 176.6111 24 W 5.3461 9.1417 119.9134 53.1258 29.7838 174.5098 25 P 4.3832 0.0000 0.0000 65.3810 31.5414 179.2470 26 E 4.1637 8.3084 116.2457 58.1507 29.9198 177.7985 27 L 4.4254 8.1409 119.1536 54.8034 42.3899 176.6732 28 V 3.8394 7.4096 119.5893 64.3730 31.6865 176.0583 29 G 4.0170 9.1674 116.6008 45.2152 0.0000 173.8785 30 K 4.2862 7.9313 119.4574 55.5003 33.1529 176.7251 31 S 4.7362 8.8555 116.5895 57.9451 64.9735 175.6265 32 V 3.5234 8.1873 121.3993 66.1283 31.3575 177.5769 33 E 3.8675 8.1036 118.4840 59.3225 29.5729 178.5246 34 E 3.9157 8.1258 118.1795 59.3317 29.5182 179.2017 35 A 3.9021 8.0103 120.7241 55.0948 18.4239 179.7798 36 K 3.7213 8.1579 117.2046 59.2610 32.1941 179.3539 37 K 3.8193 7.8299 119.5374 59.5665 32.1274 178.9915 38 V 3.7546 7.4926 117.7965 66.0995 31.4724 177.9864 39 I 3.1780 7.5230 119.5360 64.2908 36.3377 178.5264 40 L 4.3191 7.9707 119.6726 57.6535 41.1222 179.6342 41 Q 4.0642 7.7722 117.3781 59.0162 28.7378 177.9626 42 D 4.8349 8.1073 118.8654 55.5865 42.3149 176.8451 43 K 4.6303 8.7435 120.5530 53.4628 32.6791 174.0538 44 P 4.2851 0.0000 0.0000 64.0014 31.6639 177.1132 45 A 4.4694 7.8550 117.8641 51.6842 18.9341 176.5547 46 A 4.2104 7.9043 120.2773 53.6398 19.2463 178.8076 47 Q 4.3716 9.2715 122.0777 54.5110 29.3810 173.9548 48 I 5.0540 7.8716 123.9323 59.3612 38.7778 175.0883 49 I 4.5386 8.0334 125.6251 59.1400 41.6368 173.5333 50 V 4.7016 8.3055 128.2820 61.3056 33.0109 174.6307 51 L 4.9056 8.5855 126.5983 52.1039 46.4440 174.0483 52 P 4.9315 0.0000 0.0000 62.3321 31.8700 177.0426 53 V 3.7702 8.6272 124.5428 62.8056 32.0596 176.5149 54 G 3.8309 8.8794 110.3569 45.8795 0.0000 173.2377 55 T 4.5075 7.5028 108.8667 59.9504 70.9137 173.6293 56 I 4.4391 7.9807 122.2378 59.9422 38.7250 175.7750 57 V 4.6577 7.9404 116.2242 59.1347 35.5779 175.5476 58 T 4.0606 8.4315 111.3709 62.6713 68.9101 173.9201 59 M 4.6563 8.4000 122.3006 55.2018 32.7040 176.1678 60 E 4.3016 8.1167 115.9700 55.8289 30.9918 175.0282 61 Y 4.4977 8.4705 121.4706 56.1162 39.7839 175.3381 62 R 4.3092 7.6800 127.1946 54.0657 31.2590 176.8142 63 I 3.4524 8.0059 124.0960 63.2958 38.4052 176.2962 64 D 4.5906 7.8701 118.4380 54.8368 41.6270 175.6558 65 R 4.7123 7.5641 121.0088 55.4876 32.1967 175.5402 66 V 4.6332 8.4960 124.3896 61.1583 34.2738 174.4851 67 R 4.4578 8.6432 127.4035 55.6971 31.2476 176.1645 68 L 4.5841 8.6429 123.7032 53.0727 44.2241 175.3463 69 F 5.1040 8.7842 123.2706 56.2882 40.8070 175.4777 70 V 5.0236 8.8455 117.1230 59.7386 35.3041 176.0762 71 D 4.7555 8.4302 122.7760 52.4264 41.6197 176.9060 72 K 4.2237 8.5904 117.1244 58.3993 32.1043 177.4404 73 L 4.4076 8.1870 118.1464 53.9212 42.0778 176.0876 74 D 4.4936 8.0825 117.0837 55.1411 40.2431 173.0629 75 N 5.0067 7.9773 113.5364 50.6839 40.6106 174.5931 76 I 4.1158 8.5971 122.1192 62.1355 37.4172 176.9334 77 A 4.4776 9.0546 128.5187 52.7192 20.0036 176.6163 78 Q 4.6040 7.7046 112.4945 53.5421 32.8585 174.7816 79 V 3.7815 8.4089 119.9359 62.8804 32.0744 174.1055 80 P 4.7018 0.0000 0.0000 63.0376 32.5029 175.3766 81 R 5.4203 8.4711 121.9713 55.0151 33.1400 174.9639 82 V 4.0971 8.5752 118.7388 61.3050 32.5600 176.7435 83 G 3.1898 8.0951 111.6017 45.2920 0.0000 173.1512 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 21 K 8.30 4.06 0.00 1.59 1.70 0.00 1.42 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.62 0.57 7.81 22 T 7.82 4.21 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 23 E 7.75 5.13 0.00 1.74 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 0.00 2.22 2.23 0.00 24 W 9.14 5.35 0.00 3.40 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 25 P 0.00 4.38 0.00 2.24 2.34 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 26 E 8.31 4.16 0.00 2.19 2.30 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 2.48 2.37 0.00 27 L 8.14 4.43 0.00 1.95 1.75 0.75 0.63 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 28 V 7.41 3.84 2.12 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 0.80 0.00 0.00 0.99 0.00 0.00 29 G 9.17 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 30 K 7.93 4.29 0.00 1.93 1.73 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.53 7.81 31 S 8.86 4.74 0.00 4.03 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 32 V 8.19 3.52 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 1.05 0.00 0.00 0.96 0.00 0.00 33 E 8.10 3.87 0.00 2.04 1.91 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 2.35 2.38 0.00 34 E 8.13 3.92 0.00 2.21 1.97 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 2.32 2.31 0.00 35 A 8.01 3.90 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 36 K 8.16 3.72 0.00 1.73 1.78 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.51 7.81 37 K 7.83 3.82 0.00 1.92 1.94 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 38 V 7.49 3.75 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 1.09 0.00 0.00 1.00 0.00 0.00 39 I 7.52 3.18 1.44 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.29 0.25 0.00 0.00 40 L 7.97 4.32 0.00 1.70 1.68 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.77 4.06 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 42 D 8.11 4.83 0.00 3.23 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 43 K 8.74 4.63 0.00 1.94 1.89 0.00 1.94 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.50 7.81 44 P 0.00 4.29 0.00 2.09 2.12 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 45 A 7.85 4.47 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 46 A 7.90 4.21 1.22 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 0.00 0.00 0.00 47 Q 9.27 4.37 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 48 I 7.87 5.05 1.77 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.52 0.82 0.00 0.00 49 I 8.03 4.54 1.79 0.00 0.00 0.81 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 1.50 0.78 0.00 0.00 50 V 8.31 4.70 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 0.80 0.00 0.00 0.85 0.00 0.00 51 L 8.59 4.91 0.00 1.20 1.46 0.74 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.93 0.00 2.00 2.02 0.00 3.73 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 2.06 2.10 0.00 53 V 8.63 3.77 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 0.69 0.00 0.00 0.94 0.00 0.00 54 G 8.88 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.50 4.51 4.33 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 1.34 0.00 0.00 56 I 7.98 4.44 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.93 0.00 0.00 57 V 7.94 4.66 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 0.99 0.00 0.00 1.07 0.00 0.00 58 T 8.43 4.06 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 1.23 0.00 0.00 59 M 8.40 4.66 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 60 E 8.12 4.30 0.00 2.12 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 2.28 2.25 0.00 61 Y 8.47 4.50 0.00 2.90 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 62 R 7.68 4.31 0.00 1.75 1.72 0.00 3.14 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 63 I 8.01 3.45 1.83 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.76 0.89 0.00 0.00 64 D 7.87 4.59 0.00 2.70 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 65 R 7.56 4.71 0.00 1.85 1.94 0.00 2.98 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 66 V 8.50 4.63 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 0.82 0.00 0.00 0.97 0.00 0.00 67 R 8.64 4.46 0.00 1.66 1.20 0.00 3.32 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 68 L 8.64 4.58 0.00 1.40 1.49 0.80 0.77 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 69 F 8.78 5.10 0.00 2.98 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 70 V 8.85 5.02 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 0.78 0.00 0.00 1.04 0.00 0.00 71 D 8.43 4.76 0.00 2.93 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 72 K 8.59 4.22 0.00 1.78 1.91 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.47 7.81 73 L 8.19 4.41 0.00 1.79 1.69 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.08 4.49 0.00 2.80 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 75 N 7.98 5.01 0.00 3.07 2.71 0.00 0.00 7.02 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.60 4.12 2.08 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 1.46 0.96 0.99 0.00 0.00 77 A 9.05 4.48 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 78 Q 7.70 4.60 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 79 V 8.41 3.78 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.70 0.00 2.36 1.98 0.00 3.95 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 81 R 8.47 5.42 0.00 1.90 1.88 0.00 3.43 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 82 V 8.58 4.10 2.27 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 0.93 0.00 0.00 1.02 0.00 0.00 83 G 8.10 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00