NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3518 8.2649 123.5827 52.1252 18.8390 174.6232 3 K 4.2975 7.6177 118.8164 55.7138 35.3331 173.2816 4 E 4.6717 8.6345 118.0501 54.8226 34.2572 174.6894 5 L 4.7835 8.4137 122.8443 52.9938 45.2004 176.2752 6 R 4.5639 8.3507 121.7776 54.5198 31.9147 177.0525 7 C 4.4487 8.4124 117.4671 56.9969 40.8013 174.4326 8 Q 3.8949 8.8193 120.6508 58.2494 28.5174 177.3335 9 C 4.9317 8.5690 115.1141 55.2837 41.9047 173.5712 10 I 3.8967 8.4412 126.0897 62.0972 37.5380 175.5592 11 K 4.6614 7.8009 118.9615 54.4662 34.9891 173.4676 12 T 4.9248 8.0285 109.8493 60.2168 71.8507 171.8707 13 Y 4.6597 8.5713 122.5379 56.3595 39.3965 175.5476 14 S 4.8351 8.1550 123.8209 57.7735 63.8583 174.7253 15 K 4.0337 7.5470 122.5995 54.9983 33.3113 173.4420 16 P 2.9700 0.0000 0.0000 62.0773 31.7923 176.2742 17 F 4.9385 7.2290 115.0861 55.8889 40.8993 172.6348 18 H 5.0008 9.1999 118.4288 54.0345 32.0950 173.7814 19 P 4.6466 0.0000 0.0000 64.6072 31.4918 178.1096 20 K 3.9621 8.5596 118.8776 59.1620 32.2227 177.1150 21 F 4.5397 8.3020 115.8866 57.9704 39.4753 175.1434 22 I 4.4974 8.1109 122.8666 60.1804 37.8190 175.5019 23 K 4.7516 8.4026 122.9926 56.3223 35.0426 176.2539 24 E 4.7092 7.8743 120.0314 54.1740 32.9764 174.0008 25 L 4.8882 8.5685 127.8187 53.5166 45.0004 175.6669 26 R 4.6465 8.9331 122.9485 54.7464 34.5454 174.0830 27 V 4.7434 8.5675 123.6575 61.0662 34.2781 174.4029 28 I 4.4997 8.4566 128.7204 59.4127 39.5227 175.2796 29 E 4.6308 9.1573 128.2649 54.3539 30.9838 175.9126 30 S 4.0967 8.2177 117.0902 59.3530 63.3032 174.1915 31 G 4.3873 8.9789 114.1120 42.7872 0.0000 171.1248 32 P 4.5177 0.0000 0.0000 64.2177 31.1008 176.2031 33 H 4.8640 8.2067 112.9764 55.4460 30.7086 174.3508 34 C 4.7228 7.9559 119.8893 54.8486 46.1624 173.4961 35 A 4.8354 8.5711 128.8320 52.1338 19.7375 176.3641 36 N 4.8844 7.6324 118.2872 54.2187 43.4314 173.2301 37 T 5.1459 8.5429 117.5390 62.9094 73.1676 173.0768 38 E 4.5596 8.9063 123.7416 54.8140 34.1532 174.7164 39 I 4.5037 8.4140 125.3145 60.1320 38.2528 175.2166 40 I 4.6503 8.9759 129.1861 60.5753 39.4438 175.3866 41 V 4.7439 8.1852 121.6016 60.5228 35.5490 173.5410 42 K 4.9828 8.9962 120.6675 54.6898 35.7156 175.6107 43 L 5.1786 8.9607 125.0937 52.6045 42.9903 177.9593 44 S 4.1794 9.0337 117.3686 61.6467 62.6676 175.4758 45 D 4.3764 8.0112 118.2901 54.5168 38.9876 176.6109 46 G 3.8197 8.6951 108.4305 46.1343 0.0000 173.2576 47 R 4.8419 7.9721 117.6339 53.8383 33.8634 174.9102 48 E 4.9723 8.4409 117.4889 54.9949 32.5068 174.5322 49 L 4.9592 8.4397 122.4837 53.0491 46.8498 174.1427 50 C 5.2548 8.5954 115.0939 55.6713 43.8869 173.8113 51 L 5.1562 8.5729 123.0258 53.1421 44.2614 175.7996 52 D 4.6862 8.2657 120.4799 51.9862 41.5672 175.2463 53 P 4.2191 0.0000 0.0000 63.9677 31.3264 177.3580 54 K 4.0693 7.8396 118.8133 57.5431 32.5540 176.2064 55 E 4.5504 7.9128 119.2498 55.0629 31.1424 176.8255 56 N 4.2837 8.6466 120.8159 56.0493 38.7506 177.7483 57 W 4.2586 8.0275 117.4337 59.1661 28.1565 178.4084 58 V 3.0112 6.2165 119.4602 65.5525 30.7581 177.6483 59 Q 3.9693 7.6131 118.9741 58.2688 28.7032 177.7718 60 R 3.9880 7.6046 119.5779 59.2710 30.4052 178.3674 61 V 3.6161 7.8883 112.0972 64.4208 31.5520 178.9188 62 V 3.7111 7.7750 117.9879 65.7850 31.3945 177.6632 63 E 3.9831 7.9485 118.9598 59.2679 29.4570 178.9716 64 K 3.9795 8.4785 118.9205 59.3350 32.1237 178.8742 65 F 4.2018 8.0842 120.9637 61.4719 39.2593 177.2666 66 L 3.7995 7.8964 117.9141 57.6947 41.6038 179.4901 67 K 3.9771 8.2033 119.3843 58.9139 32.0201 178.8825 68 R 3.8728 8.2322 119.4853 59.0998 29.9670 178.2209 69 A 3.8638 7.8023 119.3466 54.3891 18.2616 178.8277 70 E 4.0075 7.7601 117.5790 59.1871 29.9388 177.9649 71 N 4.4083 7.8031 115.4963 56.1466 39.0539 175.0755 72 S 4.3489 7.7806 118.5858 58.6205 62.6161 173.4237 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 4.35 1.28 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 0.00 0.00 0.00 3 K 7.62 4.30 0.00 1.76 1.74 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.59 7.81 4 E 8.63 4.67 0.00 1.89 1.80 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 2.21 2.32 0.00 5 L 8.41 4.78 0.00 1.59 1.56 1.00 0.97 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 6 R 8.35 4.56 0.00 1.81 1.85 0.00 3.38 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 1.58 1.59 0.00 7 C 8.41 4.45 0.00 2.95 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 8 Q 8.82 3.89 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 9 C 8.57 4.93 0.00 3.22 3.01 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 0.00 0.00 0.00 10 I 8.44 3.90 1.89 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 1.31 0.52 0.92 0.00 0.00 11 K 7.80 4.66 0.00 1.70 1.72 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.40 7.81 12 T 8.03 4.92 4.37 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 1.32 0.00 0.00 13 Y 8.57 4.66 0.00 3.20 3.33 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 14 S 8.15 4.84 0.00 3.99 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 15 K 7.55 4.03 0.00 1.14 1.58 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.27 7.81 16 P 0.00 2.97 0.00 1.62 0.93 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 0.00 17 F 7.23 4.94 0.00 3.22 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 18 H 9.20 5.00 0.00 3.31 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.65 0.00 2.32 2.32 0.00 3.41 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 20 K 8.56 3.96 0.00 1.52 1.14 0.00 1.59 0.00 0.00 1.42 0.00 0.00 2.68 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.17 1.35 7.81 21 F 8.30 4.54 0.00 3.14 2.94 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 22 I 8.11 4.50 2.03 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 0.31 0.00 0.00 23 K 8.40 4.75 0.00 1.63 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.52 7.81 24 E 7.87 4.71 0.00 2.00 1.69 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 2.23 2.28 0.00 25 L 8.57 4.89 0.00 1.30 1.59 0.77 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.93 4.65 0.00 1.71 1.75 0.00 3.10 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 27 V 8.57 4.74 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 0.78 0.00 0.00 0.95 0.00 0.00 28 I 8.46 4.50 1.90 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 1.12 0.86 0.96 0.00 0.00 29 E 9.16 4.63 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.15 0.00 30 S 8.22 4.10 0.00 3.95 3.99 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 0.00 0.00 0.00 31 G 8.98 4.39 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 0.00 32 P 0.00 4.52 0.00 2.19 2.20 0.00 3.50 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 33 H 8.21 4.86 0.00 3.46 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 7.96 4.72 0.00 2.38 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 4.84 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.63 4.88 0.00 2.57 2.57 0.00 0.00 6.76 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 37 T 8.54 5.15 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 1.20 0.00 0.00 38 E 8.91 4.56 0.00 1.90 1.79 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 2.20 2.26 0.00 39 I 8.41 4.50 1.85 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 1.34 0.77 0.91 0.00 0.00 40 I 8.98 4.65 1.97 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 1.29 0.74 0.97 0.00 0.00 41 V 8.19 4.74 2.05 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 0.73 0.00 0.00 0.88 0.00 0.00 42 K 9.00 4.98 0.00 1.58 1.65 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.33 7.81 43 L 8.96 5.18 0.00 1.61 1.70 0.66 0.64 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 44 S 9.03 4.18 0.00 4.00 4.07 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 45 D 8.01 4.38 0.00 2.76 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 46 G 8.70 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 47 R 7.97 4.84 0.00 1.77 1.73 0.00 3.02 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 48 E 8.44 4.97 0.00 1.86 1.83 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 2.13 2.29 0.00 49 L 8.44 4.96 0.00 1.38 1.41 0.50 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.60 5.25 0.00 2.99 2.96 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 51 L 8.57 5.16 0.00 1.53 1.55 1.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.27 4.69 0.00 2.68 2.49 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 0.00 0.00 0.00 53 P 0.00 4.22 0.00 2.01 2.02 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 54 K 7.84 4.07 0.00 1.79 1.78 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.38 7.81 55 E 7.91 4.55 0.00 1.16 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 2.20 2.32 0.00 56 N 8.65 4.28 0.00 2.83 2.88 0.00 0.00 6.89 7.67 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 57 W 8.03 4.26 0.00 3.53 3.29 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 0.00 58 V 6.22 3.01 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 -0.77 0.00 0.00 59 Q 7.61 3.97 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 60 R 7.60 3.99 0.00 2.09 1.92 0.00 3.27 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 61 V 7.89 3.62 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 0.87 0.00 0.00 0.90 0.00 0.00 62 V 7.78 3.71 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 1.00 0.00 0.00 0.93 0.00 0.00 63 E 7.95 3.98 0.00 2.15 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 0.00 2.31 2.36 0.00 64 K 8.48 3.98 0.00 2.06 1.87 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.46 7.81 65 F 8.08 4.20 0.00 3.11 3.33 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 66 L 7.90 3.80 0.00 1.92 1.68 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.20 3.98 0.00 1.95 1.78 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 68 R 8.23 3.87 0.00 1.88 1.92 0.00 3.15 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 69 A 7.80 3.86 0.80 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 70 E 7.76 4.01 0.00 1.99 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 2.27 2.27 0.00 71 N 7.80 4.41 0.00 2.78 2.85 0.00 0.00 7.19 6.95 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 72 S 7.78 4.35 0.00 4.04 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