NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 E 4.1349 8.4444 121.4536 56.1643 30.3028 174.7186 12 V 3.7517 8.5870 127.9461 64.2778 32.4017 174.3570 13 Y 4.8856 7.7746 119.6232 56.4190 42.9977 173.4475 14 S 5.0654 7.6373 119.1908 57.3783 65.4380 172.7909 15 E 4.6445 9.3728 127.9225 54.2695 33.1073 174.0628 16 K 4.6129 8.6307 124.8057 54.3106 34.8768 175.2392 17 L 4.6245 8.8393 126.9392 53.3864 44.0045 175.4460 18 F 4.9591 8.8373 125.4018 57.1585 40.2964 174.9802 19 T 4.8628 7.9408 107.6810 59.7962 72.0703 173.5848 20 E 4.2990 8.9328 118.8973 56.9307 29.1462 176.4571 21 S 4.8312 7.7383 115.8568 56.5454 65.9090 174.1625 22 E 4.4417 8.6169 117.2360 57.4521 29.7528 176.5107 23 R 5.0135 7.8232 119.9476 54.6828 32.5978 175.2611 24 T 4.7106 8.6193 120.2450 61.7868 72.1913 172.6277 25 Y 5.0627 8.4078 122.4853 56.1127 41.5631 174.6768 26 F 5.0395 8.7697 120.4031 55.6477 43.1393 174.3099 27 F 5.0304 9.6117 121.7983 56.0453 41.3923 173.7770 28 N 5.6399 9.3409 121.8123 51.2367 42.3163 174.0929 29 V 4.6126 9.0132 122.3135 61.1614 34.2587 174.5759 30 K 4.5571 8.1367 126.4941 54.2538 36.1282 174.4603 31 E 5.1275 8.1702 122.1934 54.6446 32.4775 175.7548 32 N 5.1086 9.0825 124.7245 51.6676 39.9523 175.4054 33 R 3.9637 8.8754 116.3923 59.9144 29.9666 178.7220 34 K 4.0182 8.0477 114.5417 58.0848 32.1716 178.1484 35 G 4.1713 8.1085 106.2421 44.5471 0.0000 172.9348 36 D 4.8917 8.7984 120.7612 54.1930 42.0419 175.6788 37 Y 5.2626 9.6258 121.3922 57.7053 39.9846 174.5066 38 F 5.3020 8.6579 115.8105 55.5062 41.9794 173.0633 39 L 5.0395 9.1648 123.1955 54.0335 44.3171 174.8535 40 N 4.9339 9.0502 122.9672 52.0001 42.2234 172.7573 41 I 4.6475 8.4308 127.8339 59.5549 39.5586 174.9255 42 V 4.8086 8.5131 126.8572 60.9029 34.8266 173.5682 43 E 4.7862 9.4945 128.3753 54.3861 32.2413 174.2270 44 S 5.2230 9.3787 122.8717 56.6793 64.5985 172.2768 45 K 4.8809 9.2893 130.0658 54.8928 34.0119 175.1026 46 R 4.2015 8.9227 127.7063 54.9548 30.7495 176.9267 47 S 4.3750 8.7774 121.2232 57.0887 63.8676 173.5757 48 P 4.1811 0.0000 0.0000 65.8704 31.1594 178.3177 49 S 4.0702 7.8901 111.3660 59.9562 62.9334 175.0377 50 G 3.9521 7.9996 108.1931 44.8958 0.0000 173.0744 51 D 4.6841 7.5666 119.5964 53.5525 42.6131 175.3095 52 F 5.2035 8.6439 120.2802 55.9703 41.0254 174.9674 53 E 4.3565 9.4041 124.5991 55.3502 30.9498 175.2883 54 R 4.8847 8.5555 125.5192 55.1127 31.7963 174.5984 55 H 4.9179 9.2288 125.3841 54.1256 30.9285 173.8116 56 S 5.0354 8.7291 117.9053 56.3806 65.0945 172.9075 57 I 4.6085 8.6222 127.5161 59.4682 40.2119 174.3541 58 F 5.0986 8.7831 124.6794 55.6275 41.6931 175.2588 59 V 4.1620 8.5304 121.9453 61.1184 34.3961 174.6804 60 Y 4.6667 8.4467 125.6477 57.6191 39.0510 176.2400 61 E 4.0295 8.9828 124.6155 59.9056 29.4644 179.6485 62 E 4.1767 8.3754 114.7036 58.4136 29.9493 177.3950 63 N 5.0491 8.3562 116.3227 53.0336 39.2755 176.1591 64 I 3.7775 7.6800 121.5578 64.2557 38.0698 177.5084 65 N 4.3816 8.1535 116.7624 56.5119 38.5143 177.1896 66 E 4.0480 8.1964 119.5370 59.0794 29.5659 179.0053 67 F 3.9967 8.5630 120.9840 61.1587 39.4293 176.7292 68 E 3.9502 8.6039 119.3237 59.4496 29.5136 178.9407 69 S 4.0935 8.1622 114.2235 61.6118 63.1120 176.1958 70 N 4.2856 8.1179 120.1187 55.7114 38.1367 177.2289 71 L 3.7416 7.8060 122.0074 58.0803 42.0866 179.0575 72 L 3.9413 8.1277 119.2591 57.6614 41.2684 179.6805 73 K 3.9264 7.9720 117.5629 59.2611 32.1246 179.0090 74 A 4.1027 7.8501 120.7085 55.1872 18.2469 179.7545 75 I 3.6099 8.0079 118.4150 64.4900 37.1089 178.4000 76 A 3.9445 8.2803 121.8712 55.2299 17.5426 179.8874 77 V 3.5130 7.5650 116.8919 66.0869 31.5896 178.4638 78 I 3.7228 7.6035 119.0103 64.4484 37.0246 178.3192 79 K 3.9380 8.2696 119.6032 59.6148 31.6051 179.1969 80 Q 3.9586 8.1268 119.1889 58.7068 29.2009 177.9662 81 K 4.0617 7.7428 119.9619 59.6094 32.1626 179.1640 82 V 3.7448 7.6160 116.9774 65.0500 31.3384 176.7547 83 S 4.7671 7.4632 112.9593 58.4592 63.7672 174.2230 84 T 4.1959 7.7978 124.8983 64.5441 69.3069 173.7345 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 11 E 8.44 4.13 0.00 1.88 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 0.00 2.13 2.23 0.00 12 V 8.59 3.75 1.76 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 0.63 0.00 0.00 0.32 0.00 0.00 13 Y 7.77 4.89 0.00 3.01 2.59 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 14 S 7.64 5.07 0.00 4.00 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 15 E 9.37 4.64 0.00 1.71 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 2.20 2.31 0.00 16 K 8.63 4.61 0.00 1.22 0.80 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.35 7.81 17 L 8.84 4.62 0.00 1.89 1.86 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.84 4.96 0.00 2.96 2.89 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 19 T 7.94 4.86 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 20 E 8.93 4.30 0.00 2.02 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 2.33 2.36 0.00 21 S 7.74 4.83 0.00 3.95 3.80 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 22 E 8.62 4.44 0.00 1.92 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 2.38 2.35 0.00 23 R 7.82 5.01 0.00 1.73 1.39 0.00 3.16 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 24 T 8.62 4.71 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 0.51 0.00 0.00 25 Y 8.41 5.06 0.00 2.80 2.33 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 26 F 8.77 5.04 0.00 2.74 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.61 5.03 0.00 3.05 3.10 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 28 N 9.34 5.64 0.00 2.55 2.64 0.00 0.00 6.10 7.98 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 29 V 9.01 4.61 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 0.67 0.00 0.00 0.86 0.00 0.00 30 K 8.14 4.56 0.00 0.79 1.07 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.11 7.81 31 E 8.17 5.13 0.00 1.86 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 32 N 9.08 5.11 0.00 3.06 3.36 0.00 0.00 6.64 7.84 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 33 R 8.88 3.96 0.00 1.86 2.08 0.00 3.22 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 34 K 8.05 4.02 0.00 1.96 1.91 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.46 7.81 35 G 8.11 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.80 4.89 0.00 2.95 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.63 5.26 0.00 2.82 2.82 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 38 F 8.66 5.30 0.00 3.25 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 9.16 5.04 0.00 1.75 1.46 1.05 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 40 N 9.05 4.93 0.00 2.65 2.45 0.00 0.00 7.11 8.53 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 41 I 8.43 4.65 1.82 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.74 0.00 0.00 42 V 8.51 4.81 2.11 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 1.00 0.00 0.00 0.76 0.00 0.00 43 E 9.49 4.79 0.00 2.11 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 2.04 1.76 0.00 44 S 9.38 5.22 0.00 4.16 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 45 K 9.29 4.88 0.00 1.84 1.67 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.56 7.81 46 R 8.92 4.20 0.00 1.65 1.56 0.00 3.30 0.00 0.00 3.76 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.03 0.00 47 S 8.78 4.37 0.00 3.78 3.70 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 48 P 0.00 4.18 0.00 2.00 2.11 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 49 S 7.89 4.07 0.00 3.94 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.00 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.57 4.68 0.00 2.60 2.56 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 0.00 0.00 0.00 0.00 52 F 8.64 5.20 0.00 2.92 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.40 4.36 0.00 2.04 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 2.27 2.24 0.00 54 R 8.56 4.88 0.00 1.76 1.77 0.00 3.07 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 55 H 9.23 4.92 0.00 3.09 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.73 5.04 0.00 3.76 3.71 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 0.00 0.00 0.00 57 I 8.62 4.61 1.82 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.67 0.86 0.00 0.00 58 F 8.78 5.10 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.53 4.16 1.73 0.00 0.00 0.00 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 -0.16 0.00 0.00 60 Y 8.45 4.67 0.00 3.09 2.98 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 61 E 8.98 4.03 0.00 2.36 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 0.00 2.37 2.45 0.00 62 E 8.38 4.18 0.00 2.19 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 2.35 2.35 0.00 63 N 8.36 5.05 0.00 2.99 2.99 0.00 0.00 6.45 7.81 0.00 0.00 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 I 7.68 3.78 2.04 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 1.59 1.55 1.00 0.00 0.00 65 N 8.15 4.38 0.00 2.82 2.88 0.00 0.00 7.15 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 66 E 8.20 4.05 0.00 2.13 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 2.44 2.46 0.00 67 F 8.56 4.00 0.00 3.27 3.26 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 0.00 68 E 8.60 3.95 0.00 2.27 2.13 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 2.32 2.37 0.00 69 S 8.16 4.09 0.00 4.09 4.11 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 70 N 8.12 4.29 0.00 2.88 2.77 0.00 0.00 6.63 6.85 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 71 L 7.81 3.74 0.00 1.25 1.59 0.82 0.78 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 72 L 8.13 3.94 0.00 1.82 1.67 0.91 1.27 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 73 K 7.97 3.93 0.00 1.84 1.84 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.60 7.81 74 A 7.85 4.10 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 75 I 8.01 3.61 1.83 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 1.42 0.79 0.88 0.00 0.00 76 A 8.28 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.56 3.51 2.25 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 1.01 0.00 0.00 0.98 0.00 0.00 78 I 7.60 3.72 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.74 0.90 0.00 0.00 79 K 8.27 3.94 0.00 1.77 1.85 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.57 7.81 80 Q 8.13 3.96 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 81 K 7.74 4.06 0.00 1.86 1.97 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.58 7.81 82 V 7.62 3.74 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 0.91 0.00 0.00 0.96 0.00 0.00 83 S 7.46 4.77 0.00 4.00 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 84 T 7.80 4.20 4.38 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 1.21 0.00 0.00