NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3627 8.2644 123.5845 52.1937 18.8749 175.6523 3 R 4.3635 7.8471 117.6582 53.5609 31.7647 174.6924 4 K 4.1266 7.9935 120.8518 58.5872 33.1218 177.2973 5 A 4.0266 8.0148 121.0897 55.3706 18.2287 179.6450 6 L 3.9751 7.9197 117.2312 57.9965 41.9103 179.0018 7 I 3.5284 7.5370 112.8043 64.5093 37.1431 177.8631 8 E 3.8692 8.0562 119.3117 59.1439 29.3537 178.7596 9 K 3.8484 8.0615 118.1858 59.6919 32.1335 178.2290 10 A 3.9285 8.6399 121.0593 54.7485 18.3247 179.3485 11 K 3.9217 7.4136 115.5775 58.9006 32.5650 178.1684 12 R 4.1161 7.0908 116.5457 57.2986 30.6389 176.8533 13 T 4.6738 8.2438 112.8112 63.1841 71.7647 175.6588 14 P 3.9824 0.0000 0.0000 65.2470 32.4119 176.6644 15 K 3.8119 8.0667 117.2807 55.7730 33.0610 176.9903 16 F 3.7042 6.3618 117.9111 55.4750 37.8081 177.3247 17 K 4.0042 8.9252 124.5173 59.4569 32.5577 178.9846 18 V 3.5850 8.1354 118.9679 66.2967 31.2898 177.3177 19 R 4.0269 7.8505 115.4865 57.7080 29.9570 176.6217 20 A 4.0898 7.8751 121.4141 52.6307 17.7116 176.1735 21 Y 4.9082 8.0396 119.2224 55.6845 41.0034 176.1037 22 T 4.2131 8.3551 110.6773 61.5872 70.6452 173.4144 23 R 5.0561 8.3275 126.8584 56.2203 32.1292 173.3352 24 C 3.8880 8.9305 125.9155 60.0869 32.2191 174.1257 25 V 3.7323 8.5882 126.3342 66.1354 30.8665 177.5722 26 R 4.0169 7.5497 117.7502 57.9319 30.4856 175.8794 27 C 4.5771 7.6167 114.4094 56.8172 31.7954 175.2262 28 G 3.9210 8.4205 111.9577 45.1677 0.0000 171.9945 29 R 4.5522 7.7314 120.5937 54.7328 32.6497 176.1273 30 A 4.0801 8.6924 127.7210 53.8651 19.5513 177.6348 31 R 4.2833 7.9150 113.8490 56.1222 31.5258 176.3316 32 S 3.5478 8.2554 112.6331 59.4769 61.5814 170.4725 33 V 4.5911 7.2327 120.2103 62.2163 33.9121 173.5665 34 Y 4.8438 8.1346 117.5779 56.1026 40.9609 177.2904 35 R 4.0769 8.7974 120.8438 57.8594 31.7884 177.3712 36 F 4.7610 8.0202 119.6858 58.8061 38.3057 179.4456 37 F 3.3308 8.1333 113.8604 59.4284 39.1602 177.0094 38 G 3.9389 8.8785 106.7340 45.5808 0.0000 172.5785 39 L 5.0359 7.7282 119.0236 52.7631 44.6952 175.1018 40 C 5.1672 8.0762 115.0502 56.5569 32.9818 174.6001 41 R 3.8817 8.1072 118.3370 60.4499 28.5007 178.3322 42 I 3.6092 7.8915 118.4302 64.5256 37.2178 177.3868 43 C 3.9647 8.1480 116.1417 63.5132 28.1457 175.8250 44 L 3.3974 8.6502 120.7702 58.6474 41.4997 179.0657 45 R 3.7105 7.7613 118.8547 60.0595 30.2899 177.9754 46 E 4.0211 8.3418 118.3504 59.1128 29.3254 178.9042 47 L 3.8929 7.8275 117.7019 58.1468 40.3419 179.2721 48 A 3.8810 8.3199 120.6491 56.0043 17.9742 179.5454 49 H 4.5274 7.8035 112.8810 58.5847 28.7601 178.0613 50 K 4.1769 7.9685 120.3849 60.3724 32.3840 177.5128 51 G 3.8214 7.4940 105.0815 45.7712 0.0000 175.4665 52 Q 4.1088 8.2017 116.4331 56.9319 28.3223 176.4166 53 L 4.6521 7.6220 119.4735 51.6496 42.1039 173.8108 54 P 4.0828 0.0000 0.0000 64.0932 31.7031 178.1624 55 G 4.0028 8.8781 108.8307 46.0867 0.0000 173.6719 56 V 3.9416 7.6869 120.2943 62.4384 32.0892 175.1984 57 R 4.5631 8.2313 125.9614 53.8241 33.0964 173.7411 58 K 3.8132 8.8029 124.7699 56.2048 31.3809 175.7121 59 A 4.1443 8.1926 127.8061 52.8507 18.9098 177.3885 60 S 4.5201 8.5130 115.7466 57.4531 66.8496 174.8861 61 W 4.8102 8.3277 121.9337 56.8714 27.6963 174.4637 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 4.36 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 3 R 7.85 4.36 0.00 1.82 1.89 0.00 3.42 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 4 K 7.99 4.13 0.00 1.92 1.69 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.76 7.81 5 A 8.01 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.92 3.98 0.00 1.91 1.82 1.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.54 3.53 1.87 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 1.83 0.70 0.98 0.00 0.00 8 E 8.06 3.87 0.00 2.20 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 2.39 2.36 0.00 9 K 8.06 3.85 0.00 1.91 2.08 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.53 7.81 10 A 8.64 3.93 0.98 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 0.00 0.00 0.00 0.00 0.00 11 K 7.41 3.92 0.00 1.89 1.86 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.70 7.81 12 R 7.09 4.12 0.00 1.95 1.88 0.00 3.11 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 1.66 1.73 0.00 13 T 8.24 4.67 4.22 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 1.21 0.00 0.00 14 P 0.00 3.98 0.00 2.13 2.09 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 15 K 8.07 3.81 0.00 1.75 1.81 0.00 1.31 0.00 0.00 1.30 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.56 7.81 16 F 6.36 3.70 0.00 3.15 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 17 K 8.93 4.00 0.00 1.97 2.13 0.00 1.55 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.51 7.81 18 V 8.14 3.58 2.14 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 0.83 0.00 0.00 0.98 0.00 0.00 19 R 7.85 4.03 0.00 2.01 2.12 0.00 3.42 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 20 A 7.88 4.09 1.38 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 0.00 0.00 0.00 21 Y 8.04 4.91 0.00 3.09 2.91 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 22 T 8.36 4.21 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 1.25 0.00 0.00 23 R 8.33 5.06 0.00 1.84 1.82 0.00 3.50 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.00 24 C 8.93 3.89 0.00 3.05 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 25 V 8.59 3.73 2.19 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 0.81 0.00 0.00 0.96 0.00 0.00 26 R 7.55 4.02 0.00 1.84 1.89 0.00 3.23 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 27 C 7.62 4.58 0.00 3.08 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 28 G 8.42 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 29 R 7.73 4.55 0.00 1.85 1.81 0.00 3.20 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 30 A 8.69 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.92 4.28 0.00 1.85 1.89 0.00 3.37 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 32 S 8.26 3.55 0.00 4.15 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 33 V 7.23 4.59 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 1.01 0.00 0.00 1.03 0.00 0.00 34 Y 8.13 4.84 0.00 3.14 3.05 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 35 R 8.80 4.08 0.00 1.89 2.05 0.00 3.20 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 36 F 8.02 4.76 0.00 2.74 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.13 3.33 0.00 3.22 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.88 3.94 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 0.00 0.00 0.00 39 L 7.73 5.04 0.00 1.56 1.50 0.81 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.08 5.17 0.00 3.20 3.09 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 0.00 0.00 0.00 0.00 41 R 8.11 3.88 0.00 2.15 2.42 0.00 2.82 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 42 I 7.89 3.61 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.82 0.91 0.00 0.00 43 C 8.15 3.96 0.00 3.12 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 44 L 8.65 3.40 0.00 1.21 1.51 0.13 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.76 3.71 0.00 1.78 2.04 0.00 3.36 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 46 E 8.34 4.02 0.00 2.22 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 2.33 2.63 0.00 47 L 7.83 3.89 0.00 1.67 1.69 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.32 3.88 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.80 4.53 0.00 3.31 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.97 4.18 0.00 1.87 1.86 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.45 7.81 51 G 7.49 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 52 Q 8.20 4.11 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 53 L 7.62 4.65 0.00 1.63 1.78 0.66 0.96 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 54 P 0.00 4.08 0.00 2.23 2.06 0.00 3.84 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 55 G 8.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 3.94 2.32 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 0.83 0.00 0.00 1.42 0.00 0.00 57 R 8.23 4.56 0.00 1.78 1.76 0.00 3.34 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 58 K 8.80 3.81 0.00 1.77 1.79 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.42 7.81 59 A 8.19 4.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.51 4.52 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.33 4.81 0.00 3.22 3.09 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 0.00 0.00 0.00 0.00