NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8476 8.3549 109.7359 45.2863 0.0000 173.6302 2 K 4.2157 8.2508 119.1308 52.2644 33.2833 174.8672 3 K 4.3204 8.2543 123.5656 56.1067 34.8868 176.8114 4 S 4.7690 8.0800 114.6565 56.4590 66.7938 174.7152 5 K 3.4209 8.6364 122.5944 59.8076 31.5544 178.7137 6 A 3.9582 7.8537 120.2767 55.4497 18.5400 179.4893 7 T 3.7780 7.5202 113.7383 66.5695 68.4598 176.5099 8 K 3.8138 8.8933 122.6647 59.6591 32.2439 178.5299 9 K 3.8755 7.8396 117.9729 59.7711 32.0362 179.5045 10 R 3.9175 8.1888 118.0237 59.2688 30.0425 178.9684 11 L 3.9839 8.3545 118.9940 57.8599 41.4742 179.3011 12 A 4.0085 8.3469 120.9408 55.2200 18.2213 179.6723 13 K 3.9179 7.9158 117.7447 59.6955 32.0943 179.1782 14 L 4.2840 7.8292 118.2280 57.7199 41.9079 178.6608 15 D 4.4734 8.2461 118.2285 57.0034 41.2108 177.8468 16 N 4.3725 7.9118 117.9574 56.5847 38.8479 176.5839 17 Q 4.2718 8.3732 117.7451 57.4933 28.7354 176.7349 18 N 4.8113 7.5122 117.8036 52.8241 39.2367 174.4626 19 S 4.5104 7.4844 113.9994 57.2121 64.6949 173.0709 20 R 4.3912 7.9500 120.3472 54.2272 31.4152 175.5739 21 V 3.5837 8.0482 121.6313 61.6779 31.9331 174.0041 22 P 4.1873 0.0000 0.0000 63.0987 31.7059 176.6306 23 A 3.9604 8.9747 123.4542 55.3877 18.2098 180.0395 24 W 4.3088 8.2299 113.9316 59.1912 28.1670 178.0961 25 V 3.1075 7.2468 119.4191 64.9665 30.8184 177.9249 26 M 3.9375 7.6403 118.8794 58.2657 31.8347 178.5338 27 L 3.9703 7.7888 118.5676 57.8269 41.7372 179.3969 28 K 4.0944 8.0240 118.2184 58.7635 32.1500 177.7290 29 T 4.3837 7.4859 107.1230 60.1916 69.6371 173.7018 30 D 4.2662 8.6923 120.2781 55.5532 39.2022 170.1599 31 E 3.5586 7.8808 123.3448 55.6085 30.3812 174.9645 *35 R 3.8160 8.3256 119.9331 56.0703 30.7710 174.6534 36 N 4.5976 8.2696 121.7530 52.1891 38.7487 174.5936 37 H 4.5322 8.5116 122.4182 57.0279 29.0859 176.4033 38 K 4.5295 7.8896 118.0295 55.8495 32.2743 176.5086 39 R 3.8977 7.4378 117.9547 56.6334 30.2879 176.2643 40 R 4.4473 8.3502 121.6634 54.5982 32.3773 174.0791 41 H 4.6684 8.5881 125.6208 54.9043 30.9002 175.9793 42 W 4.2208 8.4146 122.5195 59.2774 28.3178 177.2714 43 R 3.8269 6.2247 117.6256 58.1757 29.8239 177.5234 44 R 3.9439 7.6972 115.2963 58.1320 30.3927 175.6365 45 N 5.0052 7.5303 114.1455 51.6381 41.1366 173.0665 46 D 4.5479 8.1826 117.8998 53.6227 43.7516 175.6973 47 T 4.2445 8.3700 117.2823 61.1674 70.3918 172.9993 48 D 4.6357 8.2706 121.7223 53.8379 42.5753 176.7138 49 E 4.1709 8.6527 118.4035 56.9398 28.8595 175.0414 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 1 G 8.35 3.85 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 0.00 0.00 0.00 2 K 8.25 4.22 0.00 1.78 1.74 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.43 7.81 3 K 8.25 4.32 0.00 1.86 1.80 0.00 1.54 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.42 7.81 4 S 8.08 4.77 0.00 4.05 4.01 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 5 K 8.64 3.42 0.00 1.84 1.87 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.53 7.81 6 A 7.85 3.96 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 7 T 7.52 3.78 4.46 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 1.24 0.00 0.00 8 K 8.89 3.81 0.00 1.77 1.95 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 9 K 7.84 3.88 0.00 2.14 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.84 7.81 10 R 8.19 3.92 0.00 1.98 1.98 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 11 L 8.35 3.98 0.00 1.81 1.73 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.35 4.01 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 13 K 7.92 3.92 0.00 1.88 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 14 L 7.83 4.28 0.00 1.87 1.74 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.25 4.47 0.00 2.82 2.80 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 16 N 7.91 4.37 0.00 2.89 2.96 0.00 0.00 7.13 6.99 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 17 Q 8.37 4.27 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 18 N 7.51 4.81 0.00 3.03 2.92 0.00 0.00 7.13 6.94 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 19 S 7.48 4.51 0.00 4.06 3.89 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 20 R 7.95 4.39 0.00 1.78 1.85 0.00 3.22 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 21 V 8.05 3.58 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 0.68 0.00 0.00 0.84 0.00 0.00 22 P 0.00 4.19 0.00 1.82 2.31 0.00 3.60 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 2.01 0.00 23 A 8.97 3.96 1.39 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 24 W 8.23 4.31 0.00 3.62 3.37 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 25 V 7.25 3.11 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 -0.77 0.00 0.00 26 M 7.64 3.94 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 27 L 7.79 3.97 0.00 1.76 1.76 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.02 4.09 0.00 2.11 2.01 0.00 2.20 0.00 0.00 2.10 0.00 0.00 3.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.57 7.81 29 T 7.49 4.38 4.21 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 1.21 0.00 0.00 30 D 8.69 4.27 0.00 2.82 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 31 E 7.88 3.56 0.00 2.12 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 2.22 2.24 0.00 *35 R 8.33 3.82 0.00 1.74 1.68 0.00 3.23 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 36 N 8.27 4.60 0.00 2.64 2.66 0.00 0.00 7.22 7.89 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 37 H 8.51 4.53 0.00 3.16 3.33 0.00 5.91 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.89 4.53 0.00 1.77 1.80 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.39 7.81 39 R 7.44 3.90 0.00 1.83 1.89 0.00 3.13 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 40 R 8.35 4.45 0.00 1.73 1.81 0.00 3.26 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 41 H 8.59 4.67 0.00 3.18 3.04 0.00 5.92 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 42 W 8.41 4.22 0.00 3.50 3.11 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 43 R 6.22 3.83 0.00 0.67 1.11 0.00 2.53 0.00 0.00 2.90 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.19 0.00 44 R 7.70 3.94 0.00 1.77 1.91 0.00 3.32 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 45 N 7.53 5.01 0.00 2.91 2.77 0.00 0.00 6.72 7.37 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 46 D 8.18 4.55 0.00 2.58 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 47 T 8.37 4.24 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 1.24 0.00 0.00 48 D 8.27 4.64 0.00 2.69 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 49 E 8.65 4.17 0.00 2.09 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 0.00 2.17 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.