NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4508 8.3344 115.4104 57.8683 64.6738 172.8306 5 S 4.4580 8.0148 113.8712 57.2827 65.0448 172.5985 6 D 4.6833 8.4823 124.3851 53.6541 41.2380 175.6691 7 T 4.3691 7.4400 107.8146 62.3688 69.7210 174.1022 8 T 4.6019 8.0668 118.2619 60.9072 71.5301 172.1736 9 P 4.5192 0.0000 0.0000 62.6117 32.1391 176.2209 10 C 5.0219 8.5974 119.0928 55.0324 43.8595 173.6167 11 C 4.8877 8.0359 117.7991 55.3739 42.0987 174.2170 12 F 4.5947 8.3616 119.7810 56.8951 40.2140 174.6147 13 A 4.3852 7.3488 121.4664 51.2405 21.7085 175.1909 14 Y 5.1149 7.9740 117.5829 55.6882 40.4824 176.0294 15 I 3.8434 8.7129 124.4402 61.0508 38.7098 176.0042 16 A 4.1809 9.0219 133.1062 55.1012 18.5638 178.3269 17 R 4.5627 7.4419 111.3690 53.0352 32.8884 175.6575 18 P 2.0000 0.0000 0.0000 62.2356 31.5480 176.5796 19 L 4.0961 6.9770 124.2058 53.7180 42.8874 174.5529 20 P 4.3652 0.0000 0.0000 62.3249 32.0734 177.7497 21 R 3.4813 8.6725 123.3574 59.0328 30.2435 178.2027 22 A 3.9059 7.8984 119.5550 54.8137 18.4915 177.5132 23 H 4.8753 7.8375 110.2925 55.5751 29.1012 173.5699 24 I 4.7680 7.4245 121.0964 59.8419 38.1024 175.7011 25 K 4.5385 8.6238 124.9059 58.0577 34.1932 175.6050 26 E 5.0529 7.9598 117.3291 56.4888 32.5034 173.6022 27 Y 5.4067 8.3049 116.8361 56.3453 41.2066 173.7713 28 F 4.4466 8.1245 113.1869 56.1178 41.5829 172.4588 29 Y 4.9630 8.6578 118.1972 56.9072 38.9814 175.8747 30 T 4.3190 8.4368 114.3542 61.3582 69.9707 174.2707 31 S 4.1974 8.9740 117.4390 58.7234 62.8014 175.7237 32 G 3.7653 8.6007 114.6543 47.9185 0.0000 175.0184 33 K 4.1127 7.9341 119.2986 59.3018 32.2627 177.3418 34 C 4.5310 7.8087 115.6580 56.7734 40.6571 174.1641 35 S 4.1578 8.7168 119.1878 60.8557 62.7904 174.5334 36 N 4.9833 7.6868 116.5807 50.4725 40.2454 172.8916 37 P 4.4784 0.0000 0.0000 62.9840 32.5954 175.1811 38 A 4.5852 8.0495 119.0262 51.4031 22.6030 174.9430 39 V 4.1863 8.1452 119.8784 60.8570 34.3055 174.6422 40 V 4.3811 8.1179 127.6442 61.0598 33.5696 174.0242 41 F 5.1743 9.0035 127.7459 56.1352 40.9542 174.9290 42 V 4.8466 8.8647 124.9668 61.7579 33.0944 175.5942 43 T 4.9673 8.7379 118.6095 60.6287 70.4009 176.2040 44 R 4.2318 8.8347 121.4715 58.9103 30.1377 178.0326 45 K 4.4070 8.0468 115.6084 55.7768 32.0237 175.9097 46 N 4.3314 8.4079 114.7278 54.3640 36.7464 174.4388 47 R 4.2551 7.9319 117.0372 56.1743 31.6638 176.1183 48 Q 4.8470 8.7696 122.7880 54.5146 29.6167 174.4084 49 V 4.2763 8.6856 125.1755 61.6012 33.4359 174.1879 50 C 5.1222 8.8605 125.2329 56.7055 41.1406 172.4435 51 A 5.1761 8.9995 124.2114 49.9663 23.0559 174.9207 52 N 3.4252 8.1689 118.7802 52.0134 38.9750 174.2115 53 P 3.9846 0.0000 0.0000 66.0297 31.5192 178.0195 54 E 4.0919 8.1293 114.8812 57.5427 30.2877 182.7344 55 K 4.2549 7.8652 125.8009 57.3220 33.5033 184.0021 56 K 4.0818 8.5749 128.8441 59.2672 31.7141 178.4056 57 W 4.6360 8.1703 119.1755 58.6553 27.7385 178.3887 58 V 2.7716 6.3750 118.3334 65.6190 30.9669 178.0908 59 R 3.8247 7.6062 117.7389 59.1883 29.6605 178.9954 60 E 4.0293 8.3638 118.5085 59.6197 29.5204 178.9572 61 Y 4.2595 8.4946 117.1300 61.1863 37.9123 178.7103 62 I 3.3466 8.0006 120.7572 64.2566 37.2001 178.1468 63 N 4.3542 8.2931 117.5384 56.4738 37.9617 177.6359 64 S 4.1875 8.2400 115.5216 61.4406 62.8372 176.3928 65 L 3.8894 7.8769 121.3650 57.0266 41.4865 178.6038 66 E 4.3269 8.0377 117.8359 58.7912 29.6716 178.1434 67 M 4.1885 7.9603 116.7573 55.5697 32.2892 176.4689 68 S 4.0690 7.4549 119.6379 59.0134 63.8862 171.8943 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 4 S 8.33 4.45 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.01 4.46 0.00 3.87 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 6 D 8.48 4.68 0.00 2.73 2.54 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 7 T 7.44 4.37 4.27 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 1.23 0.00 0.00 8 T 8.07 4.60 4.27 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 1.23 0.00 0.00 9 P 0.00 4.52 0.00 2.32 2.15 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 10 C 8.60 5.02 0.00 2.79 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.04 4.89 0.00 2.73 2.76 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 0.00 0.00 0.00 0.00 12 F 8.36 4.59 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 13 A 7.35 4.39 1.19 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 0.00 0.00 14 Y 7.97 5.11 0.00 3.04 2.83 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 15 I 8.71 3.84 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 1.31 0.00 0.00 16 A 9.02 4.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.44 4.56 0.00 1.80 1.67 0.00 3.29 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 18 P 0.00 2.00 0.00 1.41 0.75 0.00 3.22 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.57 0.00 19 L 6.98 4.10 0.00 1.63 1.63 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.37 0.00 2.26 1.96 0.00 3.67 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 2.12 2.04 0.00 21 R 8.67 3.48 0.00 1.13 1.65 0.00 2.57 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.40 0.00 22 A 7.90 3.91 1.08 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 0.00 0.00 23 H 7.84 4.88 0.00 3.25 3.28 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.42 4.77 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 1.14 0.00 0.00 25 K 8.62 4.54 0.00 1.79 1.97 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.27 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.44 7.81 26 E 7.96 5.05 0.00 2.01 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 2.30 2.25 0.00 27 Y 8.30 5.41 0.00 2.61 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 28 F 8.12 4.45 0.00 3.01 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 29 Y 8.66 4.96 0.00 2.94 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 30 T 8.44 4.32 4.27 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 1.23 0.00 0.00 31 S 8.97 4.20 0.00 3.90 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 32 G 8.60 3.77 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 0.00 0.00 0.00 33 K 7.93 4.11 0.00 1.79 1.90 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.42 7.81 34 C 7.81 4.53 0.00 3.04 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 35 S 8.72 4.16 0.00 3.94 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 36 N 7.69 4.98 0.00 2.67 2.69 0.00 0.00 6.92 8.02 0.00 0.00 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 P 0.00 4.48 0.00 2.20 2.06 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 38 A 8.05 4.59 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 39 V 8.15 4.19 1.54 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 -0.18 0.00 0.00 0.54 0.00 0.00 40 V 8.12 4.38 0.67 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 0.66 0.00 0.00 0.48 0.00 0.00 41 F 9.00 5.17 0.00 3.11 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 42 V 8.86 4.85 2.21 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 1.15 0.00 0.00 1.13 0.00 0.00 43 T 8.74 4.97 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 1.30 0.00 0.00 44 R 8.83 4.23 0.00 1.86 2.08 0.00 3.34 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.81 0.00 45 K 8.05 4.41 0.00 1.76 1.83 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 46 N 8.41 4.33 0.00 2.85 2.94 0.00 0.00 6.90 7.70 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 47 R 7.93 4.26 0.00 1.82 1.90 0.00 3.29 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 48 Q 8.77 4.85 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 49 V 8.69 4.28 2.29 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 1.18 0.00 0.00 1.03 0.00 0.00 50 C 8.86 5.12 0.00 3.09 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 51 A 9.00 5.18 1.13 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 52 N 8.17 3.43 0.00 1.74 2.27 0.00 0.00 7.03 7.71 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 53 P 0.00 3.98 0.00 2.00 2.13 0.00 3.45 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 54 E 8.13 4.09 0.00 2.01 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 2.25 2.12 0.00 55 K 7.87 4.25 0.00 1.75 1.71 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.32 7.81 56 K 8.57 4.08 0.00 1.75 1.85 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.07 7.81 57 W 8.17 4.64 0.00 3.21 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 58 V 6.37 2.77 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 -0.68 0.00 0.00 59 R 7.61 3.82 0.00 1.99 1.91 0.00 3.11 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 60 E 8.36 4.03 0.00 2.32 2.14 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 2.38 2.49 0.00 61 Y 8.49 4.26 0.00 3.08 2.85 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 0.00 0.00 0.00 62 I 8.00 3.35 1.83 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.52 0.61 0.00 0.00 63 N 8.29 4.35 0.00 2.99 2.89 0.00 0.00 6.80 6.71 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 64 S 8.24 4.19 0.00 4.02 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 65 L 7.88 3.89 0.00 1.99 2.05 1.30 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.04 4.33 0.00 2.25 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 2.70 2.61 0.00 67 M 7.96 4.19 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 3.01 0.00 68 S 7.45 4.07 0.00 3.81 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