NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3341 8.2893 120.3489 55.3109 34.0452 175.4642 2 E 3.7473 8.0773 117.9041 56.9217 29.5167 175.7024 3 M 4.2838 8.7881 123.7582 56.0181 33.3637 179.7536 4 G 3.6121 7.8951 106.6052 47.9716 0.0000 175.7688 5 Q 4.0241 8.0008 120.0651 58.2001 28.7327 178.3372 6 L 3.9598 7.3652 121.7421 58.1360 42.2063 179.1778 7 K 3.9614 8.5221 118.8350 59.3905 31.9725 178.7781 8 N 4.4003 8.3341 117.5688 56.5822 38.7712 177.1723 9 K 3.9884 7.9164 119.6033 59.3029 32.1699 179.2553 10 I 3.6736 7.8372 120.2132 64.4749 36.9997 178.1530 11 E 3.9270 8.6341 119.4516 59.4891 29.3146 178.9583 12 N 4.2600 8.0217 116.7123 56.6665 39.0104 176.7793 13 K 4.3029 8.4183 122.7225 58.7483 32.2470 178.4606 14 K 3.8661 8.4112 120.3773 59.7875 32.0323 178.9515 15 K 4.1369 8.3379 118.6464 59.2541 31.3904 179.2236 16 E 3.9694 8.5510 119.5822 59.2411 29.3290 179.1972 17 L 3.9841 8.1557 120.2917 58.2594 42.2532 178.8120 18 I 3.9837 8.2272 120.2085 64.9329 37.2207 178.4534 19 Q 4.1943 8.5049 118.7514 58.6426 28.1886 179.0882 20 L 3.9799 7.2841 118.7192 57.7461 41.7518 179.1057 21 V 3.5552 8.1285 118.3641 65.6981 31.3679 177.9228 22 A 3.9484 8.5442 121.0898 55.1265 18.1479 179.7203 23 R 4.0180 7.6559 112.1524 58.8047 29.6036 177.9843 24 H 4.3554 7.8931 118.4712 57.0378 29.9001 176.2110 25 G 4.7973 7.3330 121.1180 46.2249 0.0000 172.8927 26 L 3.9113 7.4522 120.7223 55.3321 42.1903 177.4641 27 D 4.6814 8.3575 122.6960 53.4032 43.6171 177.2930 28 H 4.1488 8.5497 116.7121 59.3832 28.5005 177.6081 29 D 4.3807 8.1014 119.3199 57.1053 41.1096 178.1850 30 K 3.9687 8.0292 118.6733 59.4842 32.0544 179.2607 31 V 3.7035 7.9623 118.4246 65.9252 31.5125 178.0264 32 L 4.0160 8.0018 118.7061 57.7785 41.5137 179.5161 33 L 3.9566 8.2278 119.0599 57.7883 41.5569 179.2937 34 F 4.1917 8.6940 121.1658 61.3377 39.2884 177.2517 35 S 3.9710 8.5479 114.4934 61.4835 62.8114 176.6793 36 R 3.9637 7.9297 119.9410 58.8379 29.3965 178.2000 37 D 4.3506 8.2184 118.6468 56.4454 41.2113 178.0966 38 L 3.7092 7.8263 121.3765 57.8586 41.9543 178.1275 39 D 4.2732 8.0583 118.1513 57.3862 41.1372 178.0820 40 K 3.8248 7.8965 119.8174 59.6685 32.1025 178.3772 41 L 4.0820 7.7665 120.1349 58.0812 41.9539 179.0013 42 I 3.7072 7.9070 119.7369 64.6273 37.1694 177.8624 43 N 4.3945 8.3895 117.5236 56.4037 38.1362 177.1771 44 K 3.8335 7.9580 119.7573 59.8406 32.4184 178.6017 45 F 4.1235 8.0179 115.8620 60.4549 38.8959 177.5849 46 M 4.1520 8.6209 119.0282 56.3273 31.5322 177.7426 47 N 4.4144 8.1589 114.7305 53.5170 38.8446 174.5714 48 V 4.0727 7.0865 116.1050 62.2032 30.0886 174.9825 49 K 4.4017 7.9965 126.5962 55.9990 33.1133 177.0768 50 D 4.6362 8.1194 117.9960 54.6849 40.7046 173.7296 51 K 4.5357 8.3434 116.7574 56.5814 32.5920 176.1422 52 V 4.6035 7.2775 110.7581 60.3496 35.4052 175.5937 53 H 4.7632 8.0700 115.9761 53.0796 27.9761 171.4118 54 K 4.0095 8.1179 127.6541 56.4193 32.8131 176.4570 55 L 4.3439 8.4026 127.3868 55.8378 41.1942 175.5609 56 E 4.4390 9.5642 122.3805 57.3953 31.6734 175.0847 57 H 4.7209 7.6410 114.1457 56.8801 33.0885 173.4858 58 H 4.5299 8.6729 115.3592 57.9314 29.5568 175.6297 59 H 4.6142 7.1055 117.5540 54.9273 32.6939 173.6029 60 H 5.1693 7.5575 120.3425 54.7521 33.0953 172.7906 61 H 4.4227 7.5518 115.9000 55.9666 32.1685 172.9698 62 H 4.2919 8.4482 124.6460 56.6534 29.6291 172.8535 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 4.33 0.00 1.99 2.16 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 E 8.08 3.75 0.00 2.23 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 0.00 2.37 2.34 0.00 3 M 8.79 4.28 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.59 0.00 4 G 7.90 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.00 4.02 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 6 L 7.37 3.96 0.00 1.67 1.75 0.92 0.72 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 7 K 8.52 3.96 0.00 1.95 1.84 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.59 7.81 8 N 8.33 4.40 0.00 2.95 2.97 0.00 0.00 7.20 5.92 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 9 K 7.92 3.99 0.00 2.07 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.72 7.81 10 I 7.84 3.67 2.01 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 1.52 0.87 0.90 0.00 0.00 11 E 8.63 3.93 0.00 2.07 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 2.54 2.47 0.00 12 N 8.02 4.26 0.00 2.95 2.95 0.00 0.00 6.94 6.75 0.00 0.00 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 K 8.42 4.30 0.00 1.98 1.92 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.35 7.81 14 K 8.41 3.87 0.00 1.98 2.05 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 15 K 8.34 4.14 0.00 1.99 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.66 7.81 16 E 8.55 3.97 0.00 2.20 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 0.00 2.34 2.61 0.00 17 L 8.16 3.98 0.00 1.80 1.98 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.23 3.98 2.11 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 1.77 0.91 1.11 0.00 0.00 19 Q 8.50 4.19 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 20 L 7.28 3.98 0.00 1.82 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.13 3.56 1.63 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 0.35 0.00 0.00 0.86 0.00 0.00 22 A 8.54 3.95 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 23 R 7.66 4.02 0.00 2.00 2.12 0.00 3.07 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 24 H 7.89 4.36 0.00 3.09 3.56 0.00 6.08 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.33 4.80 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 0.00 26 L 7.45 3.91 0.00 1.73 1.59 0.92 0.83 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 27 D 8.36 4.68 0.00 2.68 2.62 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 28 H 8.55 4.15 0.00 3.25 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.10 4.38 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.03 3.97 0.00 2.11 1.84 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.50 7.81 31 V 7.96 3.70 2.25 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 1.26 0.00 0.00 1.00 0.00 0.00 32 L 8.00 4.02 0.00 1.94 1.72 0.94 0.65 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 33 L 8.23 3.96 0.00 1.90 1.76 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.69 4.19 0.00 3.13 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.55 3.97 0.00 4.07 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 3.96 0.00 1.98 2.17 0.00 2.80 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 37 D 8.22 4.35 0.00 2.96 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 38 L 7.83 3.71 0.00 1.05 1.46 0.77 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.06 4.27 0.00 2.91 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 40 K 7.90 3.82 0.00 2.07 1.97 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.50 7.81 41 L 7.77 4.08 0.00 1.96 1.83 1.13 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.91 3.71 2.01 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 1.49 0.63 0.92 0.00 0.00 43 N 8.39 4.39 0.00 2.88 2.88 0.00 0.00 6.97 8.23 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 44 K 7.96 3.83 0.00 1.92 2.15 0.00 1.84 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.08 1.36 7.81 45 F 8.02 4.12 0.00 3.01 3.12 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 46 M 8.62 4.15 0.00 2.04 2.24 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 2.86 2.58 0.00 47 N 8.16 4.41 0.00 2.83 2.97 0.00 0.00 7.09 7.00 0.00 0.00 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 V 7.09 4.07 2.08 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 0.93 0.00 0.00 0.97 0.00 0.00 49 K 8.00 4.40 0.00 1.78 1.78 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.35 7.81 50 D 8.12 4.64 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.34 4.54 0.00 1.90 1.87 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.44 7.81 52 V 7.28 4.60 2.03 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 0.82 0.00 0.00 0.98 0.00 0.00 53 H 8.07 4.76 0.00 3.17 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.12 4.01 0.00 1.74 1.82 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.42 7.81 55 L 8.40 4.34 0.00 1.76 1.63 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.56 4.44 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.24 0.00 57 H 7.64 4.72 0.00 2.93 2.95 0.00 5.97 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.67 4.53 0.00 3.34 3.47 0.00 5.53 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 7.11 4.61 0.00 3.23 3.11 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 H 7.56 5.17 0.00 3.16 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 7.55 4.42 0.00 2.98 3.01 0.00 5.98 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.45 4.29 0.00 3.01 3.05 0.00 6.01 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00