NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6654 8.2833 119.1988 53.1546 39.6704 174.4516 7 I 3.4339 8.4848 128.0281 63.7983 37.0195 176.5639 8 Q 3.7767 8.7051 121.1218 59.3855 29.3749 177.5792 9 D 4.1797 7.9234 119.6630 56.8979 40.9111 178.6924 10 K 3.8221 8.1351 119.4007 59.7970 32.4371 179.2250 11 A 3.3577 7.5787 121.9643 54.6626 18.2394 179.7002 12 L 3.3870 7.3063 117.4673 57.4188 41.3035 179.4763 13 E 4.1073 7.9520 121.0025 58.5972 29.6012 178.3822 14 N 4.2103 7.8977 117.0214 56.7052 39.0409 176.7673 15 F 4.5511 7.7887 120.7863 59.9254 38.8871 177.6463 16 K 4.2529 8.6653 120.3367 59.1653 31.9050 178.8460 17 A 4.1239 8.2383 119.7093 54.2577 18.3179 178.2702 18 N 4.7476 8.0560 112.2798 51.9032 39.5637 174.6515 19 Q 3.4680 7.8343 118.1605 57.0560 27.3455 174.3219 20 T 4.0776 7.7651 113.4529 63.5564 70.0598 174.8307 21 E 4.3086 8.7484 125.3713 56.3575 29.9913 176.0697 22 V 4.2473 8.9672 125.8730 61.1792 34.3841 174.3976 23 T 4.7147 8.7919 124.8574 61.9861 70.5323 173.5589 24 V 4.3472 8.5728 127.7850 61.4750 33.2707 174.4837 25 F 4.6806 8.9399 127.2582 56.0793 41.1520 175.6082 26 F 4.9635 9.0916 121.9191 55.7157 41.0655 177.0103 27 L 4.0120 8.8553 120.5173 58.0085 41.3981 178.5067 28 N 4.6193 8.3149 113.0755 53.0784 37.6719 175.8223 29 G 4.1260 8.5408 108.7768 45.1973 0.0000 173.8353 30 F 4.8198 8.7039 122.5885 58.2559 40.6934 173.8436 31 Q 4.4624 6.4994 119.4629 54.3382 31.9514 174.2054 32 M 4.3717 8.2817 119.8192 53.9308 35.7482 173.3419 33 K 4.6647 8.4592 127.9097 55.4771 33.6912 175.6644 34 G 4.0880 8.8429 114.4610 45.9639 0.0000 171.0385 35 V 4.8903 8.1378 120.2470 60.9117 34.4855 176.3454 36 I 4.2989 8.4205 128.7840 61.6677 37.4153 175.9178 37 E 4.3987 9.2414 129.2934 58.0767 30.7256 175.7751 38 E 4.7473 7.9760 116.2084 56.0494 33.6552 173.1270 39 Y 5.1967 7.5465 117.1094 56.8615 40.4548 173.3006 40 D 4.6240 8.8618 118.4583 52.5813 41.8449 175.2355 41 K 3.7411 8.7361 118.8603 59.4498 32.1345 177.6257 42 Y 4.9886 8.5898 114.6820 57.9178 40.2239 175.2925 43 V 5.1768 7.7576 108.7439 59.5864 36.9204 174.5671 44 V 4.8775 8.8958 121.3795 61.3500 35.0582 173.9756 45 S 5.2080 9.5837 123.1959 56.6978 64.3848 172.2429 46 L 5.2127 9.1493 129.9055 53.3070 44.7648 174.7969 47 N 5.2135 9.1231 124.9841 52.9040 40.1351 174.4658 48 S 4.6855 9.2958 118.8133 57.3786 66.1846 174.0112 49 Q 3.1637 9.9731 127.1900 56.9963 26.2489 174.0317 50 G 4.1433 8.4867 105.9678 45.2394 0.0000 174.3372 51 K 4.4196 7.7486 118.1773 55.3258 33.5960 175.1566 52 Q 4.8887 8.2080 119.6023 54.9104 30.7269 174.9252 53 H 4.8851 8.8987 119.5472 53.8997 32.6353 172.1146 54 L 4.9910 8.7039 125.3713 53.6695 43.2477 175.1859 55 I 4.6407 8.8149 128.0451 59.6002 40.1694 175.0016 56 Y 4.7007 8.5034 124.2257 57.3383 38.8220 177.0172 57 K 4.1067 9.3152 124.8311 59.5614 32.3955 179.0107 58 H 4.2996 8.4244 113.0251 57.6815 28.6608 175.6752 59 A 4.6522 8.2755 122.2142 52.0997 19.4965 176.3298 60 I 4.3972 7.5742 117.8167 60.2558 38.4431 175.5312 61 S 4.6182 8.8928 119.8649 60.2830 64.2279 174.5580 62 T 4.6842 7.4440 115.5494 61.6754 73.1774 172.0152 63 Y 5.1166 8.6365 121.7774 56.5312 40.0398 175.2615 64 T 4.8103 9.3132 114.5691 59.9880 71.9304 173.4409 65 V 4.7186 8.2159 116.1525 59.1314 36.0142 175.4885 66 E 4.1210 8.6785 120.6715 56.8947 29.3341 177.1429 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 6 N 8.28 4.67 0.00 2.79 2.77 0.00 0.00 7.06 6.99 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 7 I 8.48 3.43 1.84 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 1.50 0.02 0.86 0.00 0.00 8 Q 8.71 3.78 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 9 D 7.92 4.18 0.00 2.76 2.69 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 0.00 0.00 0.00 0.00 10 K 8.14 3.82 0.00 1.88 2.11 0.00 1.22 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.28 7.81 11 A 7.58 3.36 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.31 3.39 0.00 0.72 0.13 0.18 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.95 4.11 0.00 2.16 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 0.00 2.29 2.21 0.00 14 N 7.90 4.21 0.00 2.76 2.61 0.00 0.00 7.24 7.04 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 15 F 7.79 4.55 0.00 3.08 2.90 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 16 K 8.67 4.25 0.00 2.07 2.15 0.00 1.79 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.40 7.81 17 A 8.24 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.06 4.75 0.00 2.84 2.87 0.00 0.00 7.14 7.07 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 19 Q 7.83 3.47 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 20 T 7.77 4.08 4.26 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 1.16 0.00 0.00 21 E 8.75 4.31 0.00 1.81 1.87 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 2.29 2.22 0.00 22 V 8.97 4.25 1.90 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 0.80 0.00 0.00 0.11 0.00 0.00 23 T 8.79 4.71 4.28 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 0.83 0.00 0.00 24 V 8.57 4.35 1.71 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 0.21 0.00 0.00 0.85 0.00 0.00 25 F 8.94 4.68 0.00 2.86 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 26 F 9.09 4.96 0.00 3.20 3.06 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 27 L 8.86 4.01 0.00 1.75 1.82 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.31 4.62 0.00 2.89 2.99 0.00 0.00 6.26 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 29 G 8.54 4.13 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 0.00 0.00 0.00 30 F 8.70 4.82 0.00 3.15 3.08 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 31 Q 6.50 4.46 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.48 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 32 M 8.28 4.37 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 33 K 8.46 4.66 0.00 1.68 1.60 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.69 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.35 7.81 34 G 8.84 4.09 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 0.00 0.00 0.00 35 V 8.14 4.89 2.09 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 1.07 0.00 0.00 1.06 0.00 0.00 36 I 8.42 4.30 1.99 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 1.25 1.35 1.08 0.00 0.00 37 E 9.24 4.40 0.00 1.97 1.99 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 2.28 2.34 0.00 38 E 7.98 4.75 0.00 2.01 1.71 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 2.31 2.30 0.00 39 Y 7.55 5.20 0.00 3.28 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 40 D 8.86 4.62 0.00 2.84 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 41 K 8.74 3.74 0.00 1.47 1.35 0.00 1.47 0.00 0.00 1.13 0.00 0.00 2.65 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 1.06 7.81 42 Y 8.59 4.99 0.00 3.18 3.08 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 43 V 7.76 5.18 2.09 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 0.57 0.00 0.00 1.06 0.00 0.00 44 V 8.90 4.88 2.22 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 0.99 0.00 0.00 1.14 0.00 0.00 45 S 9.58 5.21 0.00 3.92 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 46 L 9.15 5.21 0.00 1.78 1.54 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.12 5.21 0.00 2.74 2.75 0.00 0.00 5.95 8.00 0.00 0.00 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 S 9.30 4.69 0.00 3.82 3.69 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 0.00 0.00 0.00 0.00 49 Q 9.97 3.16 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 50 G 8.49 4.14 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 0.00 0.00 0.00 51 K 7.75 4.42 0.00 1.80 1.60 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.40 7.81 52 Q 8.21 4.89 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 53 H 8.90 4.89 0.00 3.19 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.70 4.99 0.00 1.59 1.51 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.81 4.64 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 1.09 0.00 0.00 56 Y 8.50 4.70 0.00 2.91 2.41 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 57 K 9.32 4.11 0.00 1.98 2.00 0.00 1.96 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.65 1.54 7.81 58 H 8.42 4.30 0.00 3.25 3.52 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.28 4.65 1.59 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 0.00 0.00 60 I 7.57 4.40 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.73 0.32 0.00 0.00 61 S 8.89 4.62 0.00 3.80 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 62 T 7.44 4.68 4.18 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 0.00 0.00 0.00 1.19 0.00 0.00 63 Y 8.64 5.12 0.00 2.99 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 64 T 9.31 4.81 4.28 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 1.17 0.00 0.00 65 V 8.22 4.72 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 0.33 0.00 0.00 1.03 0.00 0.00 66 E 8.68 4.12 0.00 1.95 1.87 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 2.30 2.24 0.00