NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3079 8.2993 120.1405 56.1640 33.6029 175.5853 2 S 4.2932 8.5394 118.2649 56.8682 64.2743 172.7465 3 P 4.3187 0.0000 0.0000 66.2016 31.7904 179.7924 4 E 4.1687 8.2786 115.0947 59.2577 29.4784 179.1633 5 E 4.1632 8.3888 119.0416 59.5345 29.7336 179.1989 6 L 4.2220 8.0529 118.4268 57.5931 41.6159 179.2840 7 K 4.1019 8.8459 120.4537 59.7023 31.6569 179.0721 8 G 3.6547 8.0339 105.3071 47.6544 0.0000 175.4303 9 I 3.9315 8.2802 122.5469 64.1173 37.1923 177.8160 10 F 3.5171 8.7513 121.5813 61.3456 38.9521 176.9421 11 E 3.8584 7.7639 117.0807 59.1520 29.5896 178.2221 12 K 3.9320 7.6218 118.8227 60.0540 32.1851 178.3720 13 Y 3.9589 8.0770 116.5446 60.7819 37.5239 177.9707 14 A 3.8495 7.8906 121.1384 54.5291 18.2498 178.3238 15 A 4.7384 7.0521 118.8173 51.2559 19.1992 178.4955 16 K 3.9896 8.0491 122.7915 60.5399 33.1224 177.2552 17 E 4.5321 8.2195 122.8028 55.7740 29.9017 177.2114 18 G 3.7319 8.9034 104.8034 48.6314 0.0000 173.1224 19 D 4.6178 8.5783 120.8926 52.5850 41.8692 175.1931 20 P 4.4558 0.0000 0.0000 64.1968 32.0907 176.2489 21 N 4.8862 9.1294 116.6956 53.9167 40.8956 174.1203 22 Q 4.9936 8.9372 115.7421 54.2937 31.4618 176.1224 23 L 4.6157 8.9181 122.5903 53.6795 42.5178 176.8737 24 S 4.6464 9.7787 121.2903 58.1958 64.1371 175.8647 25 K 3.1182 8.7014 123.0053 59.7025 31.6973 178.5540 26 E 4.2476 7.9274 114.3137 57.5922 29.5118 177.6339 27 E 4.3079 7.9160 119.6822 58.1336 30.1582 177.0825 28 L 4.0530 8.4041 120.9255 58.6189 41.9797 178.3266 29 K 3.8095 7.7457 117.0842 60.0572 31.9481 177.9516 30 L 4.0019 7.9199 118.7186 59.0584 40.3469 178.4821 31 L 3.2102 7.5565 120.2243 57.8135 41.8140 178.9781 32 L 4.1705 8.3343 118.5445 57.9768 41.4476 179.4523 33 Q 4.0404 8.0564 116.5613 59.4448 28.7966 179.1459 34 T 4.0483 8.1402 115.1944 66.6240 68.7082 176.0023 35 E 4.3636 8.3026 117.9805 56.5735 30.6949 176.8830 36 F 4.9668 8.4378 117.3347 56.4299 40.3138 175.3834 37 P 4.3278 0.0000 0.0000 65.9478 31.1633 177.8369 38 S 4.3313 8.0052 112.4235 60.4054 63.4341 175.3487 39 L 4.1379 7.9712 120.1360 57.5399 42.1005 177.8865 40 L 4.3903 7.5518 119.3444 54.3885 40.3449 179.7821 41 K 4.4665 7.5492 119.7291 55.9040 30.6027 177.2331 42 G 3.9694 7.5039 109.3586 44.6298 0.0000 169.7730 43 G 3.9244 8.5138 106.0226 46.6903 0.0000 173.8924 44 S 4.0274 7.8996 114.0386 59.0268 63.1612 175.1243 45 T 4.3866 9.4059 122.4770 61.9649 70.8610 175.6546 46 L 3.9071 8.3889 123.6471 58.9432 41.8988 179.1519 47 D 4.3130 7.9854 117.7724 57.4193 40.8126 178.3802 48 E 3.9868 8.1765 118.6183 59.3898 29.4129 178.9965 49 L 3.9023 8.4263 120.6144 58.0325 42.2817 178.4820 50 F 3.9124 8.6657 121.0387 61.6022 39.1893 176.7087 51 E 4.3346 8.3800 114.6247 57.0764 29.4520 178.1762 52 E 4.0320 7.6763 120.4291 59.1698 29.9356 177.9800 53 L 4.0390 7.5337 117.5758 56.7066 41.8580 177.1828 54 D 4.3604 7.6464 118.8757 53.2957 41.4412 175.5377 55 K 3.8938 8.7374 128.4766 58.2744 32.6383 176.9211 56 N 4.5237 7.4828 110.1208 52.1059 40.6350 174.7868 57 G 4.1485 9.2086 101.8490 45.0579 0.0000 171.8640 58 D 5.0265 9.0344 117.4157 52.7938 37.8457 175.5384 59 G 4.0793 7.5334 104.4091 45.9853 0.0000 172.3396 60 E 5.2193 7.6686 119.5144 53.7290 34.0631 175.0901 61 V 4.1389 8.9933 122.9515 62.7581 33.6471 174.4494 62 S 5.1452 8.2555 116.8998 55.7915 66.6294 174.5202 63 F 2.6487 7.8943 120.9832 61.4305 38.3718 176.3536 64 E 3.7444 7.9996 116.4610 59.8587 29.7142 178.4804 65 E 4.0298 7.9240 117.6558 58.8541 29.7798 178.5593 66 F 3.8392 8.1907 120.8471 61.2532 39.1226 177.0683 67 Q 3.7324 7.5322 116.9258 58.4619 28.2478 178.8125 68 V 3.4082 7.6972 119.8604 65.6026 31.3866 177.7171 69 L 3.5005 7.3590 120.0702 58.0920 41.5987 179.1129 70 V 3.4924 7.1867 116.0481 65.7313 31.5198 177.5603 71 K 4.0161 8.1844 119.7633 59.4715 32.1644 179.0320 72 K 4.0958 8.2389 118.7467 58.3853 31.7229 179.0390 73 I 3.8409 7.7647 113.0818 62.9663 37.3808 176.4951 74 S 4.7469 8.0601 116.7004 58.1445 63.0719 173.9046 75 Q 4.0300 8.1649 127.9466 56.4656 29.0755 174.2168 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 K 8.30 4.31 0.00 1.81 1.86 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.43 7.81 2 S 8.54 4.29 0.00 4.13 4.03 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 3 P 0.00 4.32 0.00 2.25 2.27 0.00 3.66 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 2.18 2.30 0.00 4 E 8.28 4.17 0.00 1.95 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 2.34 2.50 0.00 5 E 8.39 4.16 0.00 2.20 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 2.37 2.52 0.00 6 L 8.05 4.22 0.00 1.95 2.14 1.12 1.23 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 7 K 8.85 4.10 0.00 2.05 1.84 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.74 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.30 1.33 7.81 8 G 8.03 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.28 3.93 2.19 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.95 1.01 0.00 0.00 10 F 8.75 3.52 0.00 2.43 3.13 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 0.00 0.00 0.00 0.00 11 E 7.76 3.86 0.00 2.20 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 2.41 2.49 0.00 12 K 7.62 3.93 0.00 1.93 1.87 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.10 1.35 7.81 13 Y 8.08 3.96 0.00 2.90 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 14 A 7.89 3.85 0.72 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 15 A 7.05 4.74 1.30 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 0.00 0.00 0.00 16 K 8.05 3.99 0.00 1.91 1.85 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.46 1.37 7.81 17 E 8.22 4.53 0.00 2.10 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 2.28 2.47 0.00 18 G 8.90 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.58 4.62 0.00 2.80 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 20 P 0.00 4.46 0.00 2.23 2.16 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 21 N 9.13 4.89 0.00 2.65 3.02 0.00 0.00 7.16 7.10 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 22 Q 8.94 4.99 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.31 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 23 L 8.92 4.62 0.00 1.84 1.82 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 24 S 9.78 4.65 0.00 3.75 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 25 K 8.70 3.12 0.00 0.79 1.32 0.00 1.35 0.00 0.00 1.72 0.00 0.00 2.49 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.12 0.63 7.81 26 E 7.93 4.25 0.00 1.96 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 2.26 2.21 0.00 27 E 7.92 4.31 0.00 2.07 2.20 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 2.46 2.38 0.00 28 L 8.40 4.05 0.00 1.99 1.97 1.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.75 3.81 0.00 1.97 1.97 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.57 7.81 30 L 7.92 4.00 0.00 2.11 2.01 1.14 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.56 3.21 0.00 1.69 1.80 0.90 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.33 4.17 0.00 1.89 1.76 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.06 4.04 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.99 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 34 T 8.14 4.05 4.38 0.00 0.00 0.00 0.00 0.00 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 35 E 8.30 4.36 0.00 1.75 1.49 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 2.28 2.27 0.00 36 F 8.44 4.97 0.00 3.13 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.33 0.00 2.20 2.22 0.00 3.72 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 38 S 8.01 4.33 0.00 4.02 4.05 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 0.00 0.00 0.00 0.00 39 L 7.97 4.14 0.00 2.07 1.97 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.55 4.39 0.00 1.71 1.66 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.55 4.47 0.00 1.75 1.79 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.39 7.81 42 G 7.50 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.51 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 0.00 0.00 0.00 44 S 7.90 4.03 0.00 3.85 3.84 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 45 T 9.41 4.39 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 46 L 8.39 3.91 0.00 1.75 1.69 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.99 4.31 0.00 2.80 2.67 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 0.00 0.00 0.00 0.00 48 E 8.18 3.99 0.00 2.16 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 2.41 2.38 0.00 49 L 8.43 3.90 0.00 1.75 1.93 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.67 3.91 0.00 3.19 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 51 E 8.38 4.33 0.00 2.10 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 0.00 2.53 2.69 0.00 52 E 7.68 4.03 0.00 1.85 2.11 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 2.23 2.30 0.00 53 L 7.53 4.04 0.00 1.57 1.45 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.65 4.36 0.00 1.89 2.37 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 55 K 8.74 3.89 0.00 1.67 1.79 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.47 7.81 56 N 7.48 4.52 0.00 2.64 2.66 0.00 0.00 6.76 7.98 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 57 G 9.21 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.03 5.03 0.00 2.89 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 59 G 7.53 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.67 5.22 0.00 1.89 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 2.29 2.46 0.00 61 V 8.99 4.14 2.17 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 1.07 0.00 0.00 0.28 0.00 0.00 62 S 8.26 5.15 0.00 3.91 4.06 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 0.00 0.00 0.00 63 F 7.89 2.65 0.00 1.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.00 3.74 0.00 1.97 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 2.28 2.47 0.00 65 E 7.92 4.03 0.00 2.00 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 2.32 2.45 0.00 66 F 8.19 3.84 0.00 2.98 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.53 3.73 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.90 5.11 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 68 V 7.70 3.41 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 0.89 0.00 0.00 0.84 0.00 0.00 69 L 7.36 3.50 0.00 0.81 0.27 0.25 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.19 3.49 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 0.89 0.00 0.00 1.08 0.00 0.00 71 K 8.18 4.02 0.00 1.76 1.84 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.43 7.81 72 K 8.24 4.10 0.00 1.76 1.74 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.45 7.81 73 I 7.76 3.84 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.56 1.05 0.00 0.00 74 S 8.06 4.75 0.00 3.98 3.90 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 75 Q 8.16 4.03 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.53 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00