NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.2613 8.2393 120.8590 55.8397 31.1800 175.7147 4 P 4.3439 0.0000 0.0000 60.8450 30.0093 171.9462 5 R 4.0538 8.7238 124.4576 56.3538 30.8163 178.0961 6 T 3.7314 8.2666 119.8554 63.5442 68.9948 173.6351 7 A 4.5100 8.1043 127.0758 50.3103 20.9370 176.1176 8 F 5.2981 8.3463 122.0964 55.9533 40.8371 176.0517 9 S 4.4527 9.7316 119.8977 57.6529 62.3204 175.4536 10 S 3.9928 8.8104 117.4224 61.3817 62.4923 175.6850 11 E 3.9027 7.6701 117.2621 57.1562 30.0611 177.7689 12 Q 4.1057 8.6525 119.2920 58.3910 29.4553 177.7657 13 L 3.5237 7.8561 119.0127 57.5537 41.4218 179.6428 14 A 3.9194 7.2897 119.7701 55.1823 18.2885 179.6686 15 R 3.8911 7.7109 114.9684 59.1195 30.4638 178.0260 16 L 3.9078 7.8187 119.6106 57.1835 41.4202 178.9510 17 K 4.0960 7.8299 120.1092 60.8381 31.7654 180.0216 18 R 4.0352 8.3513 120.6229 61.6481 29.0427 180.3574 19 E 4.1302 8.6724 117.8015 58.8088 29.4262 178.5667 20 F 4.2630 8.0162 121.2582 59.7397 39.4599 177.1032 21 N 4.6106 8.1785 115.3868 56.4493 38.6561 176.4617 22 E 4.3657 7.5331 118.9465 57.9774 30.2062 176.2664 23 N 4.6458 7.9051 119.3525 52.4794 40.3864 174.3609 24 R 3.3810 8.2321 121.7849 56.4119 30.0090 175.8492 25 Y 4.8276 7.4733 116.4676 56.1325 40.0702 175.1715 26 L 4.0619 8.6205 125.5292 54.8226 42.5198 177.7157 27 T 4.4643 8.0248 119.3138 61.8027 71.6830 175.9588 28 E 3.9219 8.4078 121.5566 59.5719 29.7229 178.1174 29 R 3.9899 8.0616 118.3838 59.9385 29.8392 178.1314 30 R 3.9684 7.8940 117.4986 59.3058 29.9339 178.2333 31 R 3.8239 8.4008 118.6880 59.1987 30.2179 178.2236 32 Q 4.8122 8.7070 120.6636 58.0864 28.8146 178.0109 33 Q 3.9409 8.5046 119.2800 59.4531 28.9366 179.7642 34 L 3.9342 7.6151 119.5340 58.1778 41.6023 179.1395 35 S 4.5710 8.1055 114.0211 61.7492 62.0202 175.9904 36 S 3.8391 8.1400 114.2500 62.1483 62.6829 175.6327 37 E 4.0601 8.0777 123.5447 60.0184 29.7434 179.2175 38 L 4.0711 8.4918 115.9923 54.6951 42.4882 176.9371 39 G 3.9585 8.2291 107.3053 46.7282 0.0000 173.0770 40 L 4.9250 7.1842 116.4109 52.5911 46.3528 176.2364 41 N 4.8930 8.4667 117.8124 52.5175 39.2661 176.4526 42 E 3.9593 8.9051 121.2683 58.4494 30.1291 178.4460 43 A 4.1937 7.8437 120.9561 53.4021 20.2509 179.0171 44 Q 4.3403 8.4584 115.4935 58.5177 28.9817 178.3740 45 I 3.9615 7.7672 120.6309 64.1560 37.2278 177.4277 46 K 3.9889 7.6902 120.7796 59.5424 31.9477 178.7353 47 I 3.8629 8.2363 120.0251 64.0294 37.1570 178.2729 48 W 4.2872 8.4719 129.3759 60.7834 30.6725 177.8708 49 F 4.2946 8.8615 117.1295 60.7406 38.2514 177.7022 50 Q 4.0956 8.1272 117.0244 59.3507 28.4038 178.8543 51 N 4.2979 8.2644 116.1566 56.3114 38.7458 176.8546 52 K 3.3962 8.1844 121.6357 58.9411 32.2080 178.8780 53 R 3.9322 8.2827 117.6674 59.3889 30.0832 178.9499 54 A 3.9525 7.5910 120.5963 55.2169 18.2911 179.8228 55 K 3.9899 7.8520 114.9949 58.8415 32.3759 179.4854 56 I 3.8222 7.5308 120.3564 64.0334 36.8684 178.2272 57 K 3.9714 7.6708 118.1678 59.2813 32.0791 178.9889 58 K 4.3571 7.8036 114.9479 57.6458 32.5590 177.0306 59 S 4.1562 7.8004 121.9508 59.2031 64.0291 173.6458 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 3 R 8.24 4.26 0.00 1.78 1.89 0.00 3.19 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 4 P 0.00 4.34 0.00 2.27 2.05 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 5 R 8.72 4.05 0.00 1.79 1.90 0.00 3.21 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 6 T 8.27 3.73 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 0.22 0.00 0.00 7 A 8.10 4.51 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 8 F 8.35 5.30 0.00 3.07 2.79 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 0.00 0.00 0.00 9 S 9.73 4.45 0.00 3.98 4.10 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 0.00 0.00 0.00 10 S 8.81 3.99 0.00 4.02 4.21 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 3.90 0.00 1.98 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 2.29 2.40 0.00 12 Q 8.65 4.11 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 13 L 7.86 3.52 0.00 1.66 1.75 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.29 3.92 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 0.00 0.00 0.00 0.00 0.00 15 R 7.71 3.89 0.00 1.76 1.88 0.00 3.22 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 16 L 7.82 3.91 0.00 0.84 0.13 -0.32 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.83 4.10 0.00 2.06 1.93 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.81 7.81 18 R 8.35 4.04 0.00 1.79 1.96 0.00 3.26 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 19 E 8.67 4.13 0.00 2.40 2.29 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 2.35 2.55 0.00 20 F 8.02 4.26 0.00 2.83 3.11 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 0.00 0.00 0.00 21 N 8.18 4.61 0.00 2.95 2.91 0.00 0.00 6.86 7.66 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 22 E 7.53 4.37 0.00 2.03 2.02 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 2.35 2.34 0.00 23 N 7.91 4.65 0.00 2.78 2.69 0.00 0.00 6.97 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.23 3.38 0.00 0.94 0.84 0.00 2.81 0.00 0.00 3.07 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.13 0.00 25 Y 7.47 4.83 0.00 3.00 2.85 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 0.00 0.00 0.00 26 L 8.62 4.06 0.00 1.46 1.44 0.34 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.02 4.46 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 1.21 0.00 0.00 28 E 8.41 3.92 0.00 2.01 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 0.00 2.36 2.38 0.00 29 R 8.06 3.99 0.00 1.90 1.93 0.00 3.23 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 30 R 7.89 3.97 0.00 1.94 1.94 0.00 3.47 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 31 R 8.40 3.82 0.00 1.79 2.00 0.00 3.37 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 32 Q 8.71 4.81 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.43 0.00 0.00 0.00 0.00 0.00 2.57 2.35 0.00 33 Q 8.50 3.94 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.72 0.00 34 L 7.62 3.93 0.00 1.56 1.67 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.11 4.57 0.00 4.01 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 36 S 8.14 3.84 0.00 4.14 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 37 E 8.08 4.06 0.00 2.06 2.02 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 2.34 2.30 0.00 38 L 8.49 4.07 0.00 1.51 1.63 0.75 0.85 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 39 G 8.23 3.96 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 0.00 0.00 0.00 40 L 7.18 4.93 0.00 1.63 1.54 0.68 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.47 4.89 0.00 2.79 2.75 0.00 0.00 6.85 7.66 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 42 E 8.91 3.96 0.00 2.03 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 2.40 2.33 0.00 43 A 7.84 4.19 1.33 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 0.00 0.00 44 Q 8.46 4.34 0.00 2.28 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 45 I 7.77 3.96 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.77 0.00 0.00 46 K 7.69 3.99 0.00 2.13 1.98 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.50 7.81 47 I 8.24 3.86 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.89 0.99 0.00 0.00 48 W 8.47 4.29 0.00 3.68 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.86 4.29 0.00 3.31 3.22 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 50 Q 8.13 4.10 0.00 2.46 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 51 N 8.26 4.30 0.00 2.86 2.74 0.00 0.00 7.07 7.69 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 52 K 8.18 3.40 0.00 0.79 1.35 0.00 0.68 0.00 0.00 0.61 0.00 0.00 2.42 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.53 7.81 53 R 8.28 3.93 0.00 2.12 2.02 0.00 3.22 0.00 0.00 2.82 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.90 0.00 54 A 7.59 3.95 1.32 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 0.00 0.00 55 K 7.85 3.99 0.00 1.63 1.78 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.41 7.81 56 I 7.53 3.82 2.00 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 1.56 0.41 0.92 0.00 0.00 57 K 7.67 3.97 0.00 1.88 1.87 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.46 7.81 58 K 7.80 4.36 0.00 1.89 1.90 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.46 7.81 59 S 7.80 4.16 0.00 4.09 3.68 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