NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2477 8.2649 123.5816 49.3814 19.9183 176.6303 3 K 3.7256 8.9226 115.1905 54.5212 30.9776 171.6169 4 E 4.8635 7.8856 119.7786 56.9184 37.1967 174.4818 5 P 4.2201 0.0000 0.0000 65.3940 31.7448 176.5559 6 C 4.7614 7.5556 114.1939 55.7437 29.0691 172.1329 7 V 4.4449 7.0440 122.0433 63.5462 37.5585 175.6793 8 E 4.0717 8.1082 119.4986 58.2508 29.1866 177.9890 9 S 4.4563 7.5437 109.7866 59.8346 64.0758 176.2864 10 L 4.3933 7.8344 121.1825 57.4066 41.5661 179.2528 11 V 3.7822 7.6898 112.7956 64.3171 31.2906 178.7295 12 S 4.2936 8.0648 113.7434 61.3770 62.9509 176.5406 13 Q 4.0221 7.7231 122.0688 59.1204 28.5790 178.0711 14 Y 4.0560 8.1756 120.5466 60.5144 38.2944 177.6236 15 F 4.2746 8.5587 121.8509 61.4073 39.4033 177.0096 16 Q 3.6556 8.0390 117.5123 58.4812 28.6373 178.4953 17 T 3.7948 7.8266 117.3262 66.6184 68.3825 177.0712 18 V 3.5399 7.3244 120.8455 64.8285 31.1878 178.5982 19 T 3.8051 7.1016 116.3306 66.4981 68.2664 176.6016 20 D 4.3232 8.4050 121.2627 57.2702 40.5107 178.1073 21 Y 4.3363 8.1346 120.4878 60.6994 38.7910 178.4409 22 G 3.4036 7.8030 106.6027 47.3087 0.0000 175.9641 23 K 4.0004 7.6235 121.0512 59.4002 31.8243 179.1596 24 D 4.1573 7.8135 118.5035 57.0165 40.9920 178.2126 25 L 4.1199 7.3882 118.6921 56.7668 41.6700 178.6887 26 M 4.0002 7.7907 118.5664 58.5854 31.6061 178.0530 27 E 3.9546 7.7417 118.5913 58.9319 29.4351 178.7293 28 K 4.4300 7.6188 117.1271 57.0071 32.5700 178.6887 29 V 3.7693 7.4496 118.7650 65.1002 31.5806 177.1030 30 K 4.4904 7.7109 116.4102 56.7560 32.3614 178.6915 31 S 4.3737 7.6014 116.1137 60.5852 62.9656 174.4290 32 P 4.3703 0.0000 0.0000 65.0725 30.9277 177.1224 33 E 4.4198 7.3278 117.2913 55.9029 29.5615 176.3384 34 L 4.3355 7.6560 117.3175 55.2256 41.8512 174.2818 35 Q 4.2134 8.4007 121.5587 55.8778 29.9781 174.7326 36 A 3.5266 8.3703 130.2134 53.0943 15.6632 176.4746 *38 A 4.4931 7.4282 124.7053 51.5074 21.3952 179.5399 39 K 4.0335 8.1063 116.5969 59.9078 32.4172 179.1583 40 S 4.6645 8.0527 115.2739 60.9998 62.9235 175.4197 41 Y 4.2276 8.1101 122.8107 60.2393 38.4223 177.0008 42 F 4.2015 8.2851 121.0675 60.8740 39.3518 176.5881 43 E 4.0068 7.9142 118.6139 58.8907 29.3263 179.0533 44 K 4.3985 8.1674 120.0395 58.4308 32.0763 179.5569 45 S 3.8594 7.8545 115.1151 61.1676 62.8065 176.7157 46 K 3.9140 7.4135 120.7113 58.7319 31.6335 178.2395 47 E 4.3624 7.6628 116.6546 56.9730 28.8546 177.8474 48 Q 4.3129 7.5192 118.6795 56.7908 30.7786 177.5815 49 L 3.8856 7.8596 119.6725 57.7949 41.8647 179.4580 50 T 3.8504 7.8569 115.5454 66.3191 68.4990 175.1460 51 P 4.2737 0.0000 0.0000 64.8355 31.0748 178.4187 52 L 3.9731 7.0715 118.9113 58.0385 42.2671 178.5829 53 I 3.9172 7.3999 119.6489 64.0476 37.1654 178.0947 54 K 4.1762 8.1646 118.2595 57.9591 32.0797 178.8708 55 K 4.0429 7.9764 120.1430 58.6042 32.1137 178.2055 56 A 4.1217 7.8982 120.5711 54.4958 17.9700 179.6319 57 G 3.4865 7.7789 104.0954 47.1946 0.0000 174.8546 58 T 4.5127 7.3312 113.4222 62.0480 68.0842 174.4454 59 E 3.7942 7.5708 117.6862 57.8907 31.2154 177.4674 60 L 3.7940 7.2857 118.6529 58.2225 42.4704 179.7976 61 V 3.5194 7.6818 117.9822 66.0044 31.5306 177.8387 62 N 4.3795 7.7338 115.7270 55.9609 38.6075 177.3145 63 F 3.9260 7.7490 119.6325 60.2010 38.7756 177.3141 64 L 4.1334 7.5876 116.9427 56.4422 41.9169 179.0973 65 S 4.2186 7.5600 113.8690 61.5105 62.4957 175.4283 66 Y 4.6665 7.5365 120.3173 58.5241 37.8928 177.3123 67 F 4.0586 7.6022 122.2306 60.9704 39.4745 177.0046 68 V 3.9707 7.8049 117.7888 65.1697 30.8817 176.6744 69 E 4.6153 7.6339 116.6863 56.0785 29.2008 176.5451 70 L 4.3036 7.1981 116.5490 54.3785 45.7483 175.7008 71 G 3.9826 8.4235 115.5904 45.2794 0.0000 177.5813 72 T 4.4707 8.6566 121.6245 62.2883 72.1577 174.1299 73 Q 4.7250 8.0379 125.5051 55.1463 30.4644 172.5024 74 P 4.3714 0.0000 0.0000 64.9365 32.2765 178.6075 75 A 4.0797 8.0652 120.9938 54.0229 17.7857 176.5567 76 T 4.4191 6.7151 102.8446 61.7181 71.4153 174.5852 77 Q 4.0686 7.5906 125.7801 55.5318 28.5627 174.7241 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 4.25 1.22 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 0.00 0.00 3 K 8.92 3.73 0.00 1.93 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.54 7.81 4 E 7.89 4.86 0.00 1.95 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 2.28 0.00 5 P 0.00 4.22 0.00 2.25 2.31 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 6 C 7.56 4.76 0.00 3.09 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 7 V 7.04 4.44 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 8 E 8.11 4.07 0.00 1.96 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 2.47 2.38 0.00 9 S 7.54 4.46 0.00 4.03 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 4.39 0.00 1.72 1.77 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.69 3.78 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 0.99 0.00 0.00 0.96 0.00 0.00 12 S 8.06 4.29 0.00 4.11 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 13 Q 7.72 4.02 0.00 2.56 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 14 Y 8.18 4.06 0.00 3.12 3.04 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 0.00 0.00 0.00 15 F 8.56 4.27 0.00 3.35 3.30 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 16 Q 8.04 3.66 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 17 T 7.83 3.79 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 1.12 0.00 0.00 18 V 7.32 3.54 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.85 0.00 0.00 19 T 7.10 3.81 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 1.06 0.00 0.00 20 D 8.41 4.32 0.00 2.79 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 21 Y 8.13 4.34 0.00 2.99 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 22 G 7.80 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.62 4.00 0.00 1.89 1.81 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.66 7.81 24 D 7.81 4.16 0.00 2.68 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 25 L 7.39 4.12 0.00 1.39 1.52 0.45 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.79 4.00 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 27 E 7.74 3.95 0.00 2.06 1.95 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 2.30 2.48 0.00 28 K 7.62 4.43 0.00 1.79 1.82 0.00 1.77 0.00 0.00 2.25 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.30 7.81 29 V 7.45 3.77 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 0.80 0.00 0.00 0.90 0.00 0.00 30 K 7.71 4.49 0.00 1.77 1.79 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.51 7.81 31 S 7.60 4.37 0.00 4.00 4.33 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 32 P 0.00 4.37 0.00 2.23 2.22 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 33 E 7.33 4.42 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 2.31 2.29 0.00 34 L 7.66 4.34 0.00 1.66 1.67 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.40 4.21 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 36 A 8.37 3.53 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 *38 A 7.43 4.49 1.37 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 0.00 0.00 39 K 8.11 4.03 0.00 1.83 1.86 0.00 1.83 0.00 0.00 1.93 0.00 0.00 3.09 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.55 1.46 7.81 40 S 8.05 4.66 0.00 4.15 4.16 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 41 Y 8.11 4.23 0.00 3.09 3.24 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 0.00 42 F 8.29 4.20 0.00 3.22 3.34 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 43 E 7.91 4.01 0.00 2.18 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 2.35 2.65 0.00 44 K 8.17 4.40 0.00 1.81 1.74 0.00 1.80 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.50 7.81 45 S 7.85 3.86 0.00 3.80 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.41 3.91 0.00 1.85 1.73 0.00 1.39 0.00 0.00 1.45 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.17 7.81 47 E 7.66 4.36 0.00 2.07 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 2.26 2.49 0.00 48 Q 7.52 4.31 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 49 L 7.86 3.89 0.00 1.61 1.64 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.86 3.85 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 51 P 0.00 4.27 0.00 2.12 2.06 0.00 3.44 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 52 L 7.07 3.97 0.00 1.67 1.92 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.40 3.92 1.97 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 1.08 0.88 0.00 0.00 54 K 8.16 4.18 0.00 1.90 1.81 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 55 K 7.98 4.04 0.00 2.06 1.89 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.42 7.81 56 A 7.90 4.12 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 57 G 7.78 3.49 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 0.00 0.00 0.00 58 T 7.33 4.51 4.19 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 0.00 0.00 0.00 1.26 0.00 0.00 59 E 7.57 3.79 0.00 1.77 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 2.19 2.41 0.00 60 L 7.29 3.79 0.00 1.71 1.66 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.68 3.52 2.16 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 0.97 0.00 0.00 0.85 0.00 0.00 62 N 7.73 4.38 0.00 2.86 2.87 0.00 0.00 7.17 8.13 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 63 F 7.75 3.93 0.00 3.10 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 64 L 7.59 4.13 0.00 1.66 1.64 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.56 4.22 0.00 4.04 4.04 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 0.00 0.00 0.00 66 Y 7.54 4.67 0.00 3.29 3.28 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 67 F 7.60 4.06 0.00 3.39 3.15 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 68 V 7.80 3.97 2.28 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 1.02 0.00 0.00 1.04 0.00 0.00 69 E 7.63 4.62 0.00 2.31 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 2.36 2.50 0.00 70 L 7.20 4.30 0.00 1.68 1.55 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.42 3.98 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 0.00 72 T 8.66 4.47 4.25 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 1.21 0.00 0.00 73 Q 8.04 4.73 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 74 P 0.00 4.37 0.00 2.21 2.16 0.00 3.82 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 1.98 1.96 0.00 75 A 8.07 4.08 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 76 T 6.72 4.42 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 1.25 0.00 0.00 77 Q 7.59 4.07 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.