NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2042 8.1701 117.3740 63.1008 69.8013 173.2904 3 A 4.1246 8.3687 127.5925 51.5854 19.2451 175.0811 4 L 4.7128 8.4611 120.4475 52.8863 45.2402 175.2887 5 A 4.3019 8.3312 125.6061 50.7957 19.5957 177.0524 6 K 3.8754 8.5305 122.2536 56.1605 32.4273 175.2342 7 P 4.6584 0.0000 0.0000 60.9360 33.2297 174.7699 8 Q 4.1174 8.3813 119.7502 56.4132 29.1910 175.2035 9 M 4.6622 8.6368 122.7981 54.8509 34.2948 175.6853 10 R 4.6126 7.8347 116.9406 55.0372 33.0233 175.2710 11 G 4.0608 8.5984 106.4559 46.6484 0.0000 176.1572 12 L 4.0001 7.9642 120.9190 57.2077 41.7520 178.6037 13 L 3.9368 7.8568 119.6546 58.1370 42.1289 178.6694 14 A 4.0048 7.9591 120.2953 55.0617 18.3453 179.3793 15 R 3.8334 8.1454 117.2336 59.6570 30.2824 178.7345 16 R 4.0231 8.0916 118.5173 59.2815 29.9791 178.2891 17 L 4.0025 8.1072 120.2179 58.2348 42.2789 179.0308 18 R 3.9199 8.3175 118.3712 59.2564 30.0140 178.8180 19 F 4.1416 8.2942 120.2733 61.8016 39.3944 176.9382 20 H 4.1258 8.2619 115.2875 58.2854 28.4909 177.9760 21 I 3.7125 7.9752 122.2891 64.2963 36.9445 178.5076 22 V 3.6732 7.6970 118.9908 65.8297 31.3309 178.3168 23 G 3.3838 7.7177 105.2926 47.6444 0.0000 175.5222 24 A 4.0017 8.1875 123.5181 54.7745 18.3673 179.4856 25 F 4.0505 8.4083 119.1683 61.6635 39.4285 177.2239 26 M 3.9883 8.2211 118.3303 58.5585 31.7341 179.0008 27 V 3.5896 7.8728 118.1880 65.9599 31.5792 178.3076 28 S 4.1034 7.8628 115.1864 61.2805 62.6107 176.3245 29 L 3.8806 7.6693 123.2331 58.0813 41.8178 179.2910 30 G 3.6201 8.2290 105.8097 47.6492 0.0000 175.5508 31 F 4.2380 8.5443 122.9609 60.9511 39.4071 176.8909 32 A 3.9506 8.6493 120.8544 55.8330 17.9338 179.7222 33 T 3.8104 7.8248 112.4821 66.7132 68.7141 176.3839 34 F 4.3215 8.1653 122.5480 61.3997 39.4794 176.6157 35 Y 3.4516 8.2400 119.5189 60.1580 38.5838 178.3884 36 K 4.6539 8.1837 119.1347 55.5919 32.8594 177.1406 37 F 4.8393 7.4442 120.6270 59.6232 46.7972 175.5363 38 A 3.6373 7.7176 121.6016 53.5497 18.4762 177.2684 39 V 3.8064 7.2047 113.4164 63.6568 33.5512 177.2343 40 A 3.9044 7.4871 120.5664 55.3993 18.2567 179.2695 41 E 3.8679 7.9097 115.9527 59.1902 29.5547 179.2927 42 K 3.6633 7.3074 118.5082 59.4368 32.1566 178.7200 43 R 3.9129 7.8454 118.6956 59.4712 30.0177 178.5511 44 K 3.9686 7.8769 117.9870 59.3879 31.9624 179.2927 45 K 3.9354 8.3787 119.8296 59.3135 32.1461 178.5850 46 A 3.9868 8.2968 121.4146 55.6197 18.3305 179.3309 47 Y 3.8124 8.2603 114.9243 60.9620 37.8002 178.3954 48 A 4.1634 8.4257 121.8718 55.3339 18.3125 179.4330 49 D 4.3387 8.6535 116.9949 57.3699 40.9783 178.4508 50 F 3.9477 8.0135 119.8197 61.4934 39.5435 176.2759 51 Y 4.5353 7.9238 112.6452 58.6451 37.9720 177.1488 52 R 4.2066 7.6273 120.5924 58.7867 30.5366 177.6062 53 N 5.0757 7.8554 113.8022 52.8087 39.7496 173.8721 54 Y 4.0752 8.1499 119.0448 57.1874 39.8292 174.3969 55 D 4.5183 7.6812 126.1699 52.1700 42.7166 176.5089 56 S 3.8505 7.9562 123.6663 61.4875 63.1088 176.1993 57 M 4.1199 7.9196 121.8332 58.0461 31.8311 178.3963 58 K 3.9313 8.3737 119.8266 59.4736 32.3417 178.2961 59 D 4.3524 8.1592 118.3646 57.2879 41.1481 177.9962 60 F 4.3451 8.5962 121.3751 61.3866 39.3947 176.5202 61 E 3.6653 8.6554 119.3302 59.3901 29.4886 178.7096 62 E 3.8961 8.1606 118.4435 59.7177 29.3846 179.3088 63 M 3.9163 7.8895 118.7673 58.0313 31.8663 178.8707 64 R 3.8290 8.0109 119.3050 59.4655 30.0864 178.8203 65 K 3.9361 7.8690 116.6369 59.1834 32.0797 178.6473 66 A 4.1683 7.6617 119.0177 52.3336 18.4219 177.6814 67 G 3.7814 8.0368 105.7947 46.4194 0.0000 175.3199 68 I 3.7738 7.0673 115.4272 62.4471 38.0588 176.4129 69 F 4.8673 7.4528 119.1802 57.1020 39.6930 175.0711 70 Q 4.3184 8.9323 124.5632 57.4481 29.4765 176.4673 71 S 4.5151 8.1541 109.4172 57.9686 64.0810 173.6723 72 A 4.5406 7.8474 122.9410 50.6262 20.3259 175.8945 73 K 4.2474 8.6992 120.1075 57.4803 32.3240 177.2937 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 T 8.17 4.20 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 1.21 0.00 0.00 3 A 8.37 4.12 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.46 4.71 0.00 1.60 1.55 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.33 4.30 1.23 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 0.00 0.00 0.00 6 K 8.53 3.88 0.00 1.72 1.75 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 P 0.00 4.66 0.00 2.20 2.04 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 8 Q 8.38 4.12 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.64 4.66 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 10 R 7.83 4.61 0.00 1.77 1.81 0.00 3.36 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 1.53 1.58 0.00 11 G 8.60 4.06 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 0.00 0.00 0.00 12 L 7.96 4.00 0.00 1.70 1.73 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.86 3.94 0.00 1.76 1.66 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.96 4.00 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 15 R 8.15 3.83 0.00 2.05 2.14 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 16 R 8.09 4.02 0.00 2.05 2.17 0.00 3.19 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 17 L 8.11 4.00 0.00 1.83 1.85 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.32 3.92 0.00 2.16 2.02 0.00 3.19 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 19 F 8.29 4.14 0.00 3.05 3.18 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 0.00 20 H 8.26 4.13 0.00 3.35 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.98 3.71 1.92 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 1.65 1.01 0.90 0.00 0.00 22 V 7.70 3.67 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 0.96 0.00 0.00 0.90 0.00 0.00 23 G 7.72 3.38 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 0.00 0.00 0.00 0.00 24 A 8.19 4.00 1.38 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 0.00 0.00 0.00 25 F 8.41 4.05 0.00 3.15 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.22 3.99 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 3.01 0.00 27 V 7.87 3.59 2.17 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 1.07 0.00 0.00 0.96 0.00 0.00 28 S 7.86 4.10 0.00 3.89 3.81 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 29 L 7.67 3.88 0.00 1.69 1.53 0.40 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.23 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.54 4.24 0.00 3.12 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 32 A 8.65 3.95 1.40 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 33 T 7.82 3.81 4.48 0.00 0.00 0.00 0.00 0.00 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 34 F 8.17 4.32 0.00 3.14 3.21 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 35 Y 8.24 3.45 0.00 2.49 2.71 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 36 K 8.18 4.65 0.00 1.87 1.85 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.60 7.81 37 F 7.44 4.84 0.00 2.90 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 38 A 7.72 3.64 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.20 3.81 0.90 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 0.63 0.00 0.00 0.20 0.00 0.00 40 A 7.49 3.90 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 41 E 7.91 3.87 0.00 1.88 1.94 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 2.54 2.35 0.00 42 K 7.31 3.66 0.00 1.72 1.74 0.00 1.52 0.00 0.00 1.41 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.26 7.81 43 R 7.85 3.91 0.00 2.04 2.09 0.00 3.23 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 44 K 7.88 3.97 0.00 2.02 1.86 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 45 K 8.38 3.94 0.00 1.90 1.90 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.46 7.81 46 A 8.30 3.99 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 47 Y 8.26 3.81 0.00 3.14 3.19 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 0.00 48 A 8.43 4.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.65 4.34 0.00 2.83 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 50 F 8.01 3.95 0.00 2.87 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 51 Y 7.92 4.54 0.00 3.14 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 52 R 7.63 4.21 0.00 2.01 2.12 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 53 N 7.86 5.08 0.00 2.67 2.73 0.00 0.00 6.85 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.15 4.08 0.00 2.86 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 55 D 7.68 4.52 0.00 2.55 2.30 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 56 S 7.96 3.85 0.00 4.18 4.22 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 57 M 7.92 4.12 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 58 K 8.37 3.93 0.00 1.89 1.85 0.00 1.59 0.00 0.00 1.51 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 D 8.16 4.35 0.00 2.93 2.93 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 0.00 0.00 0.00 60 F 8.60 4.35 0.00 3.18 3.36 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 61 E 8.66 3.67 0.00 2.31 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 2.33 2.38 0.00 62 E 8.16 3.90 0.00 2.22 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 2.60 0.00 63 M 7.89 3.92 0.00 1.58 2.26 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.47 0.00 64 R 8.01 3.83 0.00 1.22 1.74 0.00 3.33 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.96 0.00 65 K 7.87 3.94 0.00 1.69 1.81 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.46 7.81 66 A 7.66 4.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.04 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 0.00 0.00 0.00 68 I 7.07 3.77 1.60 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.36 0.72 0.00 0.00 69 F 7.45 4.87 0.00 3.38 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.93 4.32 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 71 S 8.15 4.52 0.00 4.00 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 72 A 7.85 4.54 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.70 4.25 0.00 1.79 1.75 0.00 1.98 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.40 7.81