NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2145 0.0000 0.0000 62.4187 32.7570 175.5427 3 K 4.4095 8.1639 121.8745 54.7127 33.6176 173.5256 4 H 5.0672 9.5025 126.6824 55.4685 30.7991 173.7686 5 E 5.1151 8.8518 123.5544 54.4324 32.2046 174.6409 6 F 5.2816 9.5290 124.9803 55.7246 43.5564 173.7798 7 S 5.0337 9.2754 117.2485 57.1065 63.8484 172.9829 8 V 4.7416 8.4252 127.0033 61.0770 33.8313 175.4199 9 D 4.6529 9.0716 128.6595 54.3400 39.6724 174.1190 10 M 4.7230 8.3372 123.0014 53.4041 34.3670 176.0528 11 T 4.6159 8.2057 111.0238 60.8920 70.1221 172.6593 12 C 4.6608 7.5614 115.5915 56.3283 32.0683 174.8849 13 G 3.7809 8.6677 107.0215 47.8952 0.0000 176.1237 14 G 3.6078 8.0592 107.4506 47.7530 0.0000 175.5054 15 C 4.1543 7.9753 118.6202 62.6611 28.1092 176.0583 16 A 3.9986 7.9124 121.9136 55.0550 18.0436 179.0348 17 E 3.8645 8.5012 117.8742 59.3708 29.7927 178.9415 18 A 3.9561 8.0669 120.8149 55.1113 18.5087 179.7977 19 V 3.4275 7.5821 116.3872 66.1028 31.6094 178.1546 20 S 3.8155 8.1818 113.0046 61.2437 62.1969 176.1530 21 R 3.8817 8.1165 121.3959 59.6483 29.9052 179.0266 22 V 3.6474 7.6266 111.8068 64.2049 31.4890 178.6345 23 L 3.9056 7.6936 118.8305 57.6528 41.1322 179.2062 24 N 4.4881 8.0108 115.8674 56.0314 38.5146 177.0737 25 K 4.0799 7.8393 120.5506 59.2474 32.3464 178.3163 26 L 4.0315 7.6041 119.9131 56.1314 42.2566 178.2173 27 G 4.0332 7.6561 102.7251 45.9060 0.0000 172.3721 28 G 4.0074 8.6283 104.1334 46.6928 0.0000 174.0937 29 V 4.8505 7.8271 110.0251 59.0304 36.0716 175.5875 30 K 4.6479 9.0631 125.1033 54.8231 34.5177 174.5062 31 Y 5.6106 7.8348 124.3161 55.8101 41.7667 173.6682 32 D 4.9685 9.1923 118.1900 51.8577 43.2316 174.2253 33 I 4.9755 8.5573 121.1454 59.6302 40.3072 174.4159 34 D 4.7094 9.0377 127.2806 52.5500 42.4291 176.6025 35 L 3.9228 8.6599 128.5259 57.7676 42.5702 177.2021 36 P 4.2500 0.0000 0.0000 65.4704 31.2425 176.8755 37 N 4.6270 8.6460 112.3587 52.2167 39.4074 174.8905 38 K 3.8778 7.9394 118.0118 57.6339 30.4035 174.4359 39 K 5.2946 8.1121 116.2977 54.6641 37.1221 177.2977 40 V 4.8821 9.0288 122.8008 61.5066 34.8606 173.7578 41 C 5.5146 9.0270 125.5083 58.2420 30.7932 173.0229 42 I 5.2967 9.5093 123.3908 59.6611 41.5181 174.1443 43 E 5.2542 9.1553 125.3875 54.9434 32.5744 175.2354 44 S 4.8202 8.4417 117.4841 57.9727 65.4089 174.9812 45 E 4.2068 8.8506 119.4727 57.3148 29.7732 176.2055 46 H 4.5173 7.5815 115.5559 55.9668 29.6224 176.0122 47 S 4.4126 8.3846 117.3417 58.2273 65.1011 174.9844 48 M 3.9049 8.4669 122.0341 59.0409 31.8270 178.2464 49 D 4.3539 7.9594 118.4676 57.5812 41.0511 178.7381 50 T 3.8269 7.8043 116.2429 66.5604 68.4550 176.7845 51 L 3.8652 7.9963 120.8846 57.5520 41.6098 179.2912 52 L 3.8326 8.3408 120.4510 58.1365 42.0624 178.8805 53 A 3.9773 8.1495 120.8108 55.3956 18.0605 179.7027 54 T 3.7157 7.6058 113.1731 66.8491 68.6976 176.6062 55 L 4.0043 7.8211 120.8129 57.6465 41.7131 179.7254 56 K 4.0486 8.4647 118.6769 58.9589 31.7264 179.4123 57 K 4.1090 7.8204 118.2655 58.9063 31.9733 178.8000 58 T 4.0504 7.4360 109.3715 62.8501 68.8544 175.5615 59 G 3.9076 7.9647 109.5715 45.1551 0.0000 173.5610 60 K 4.3836 7.2955 118.1124 55.2840 33.6112 176.4146 61 T 4.2354 8.2220 117.9831 63.5588 69.3581 173.9383 62 V 5.1959 8.4006 125.9644 61.2546 34.9975 174.5931 63 S 4.8470 8.9404 119.8651 57.0796 66.7634 172.1692 64 Y 4.5112 8.7349 123.5670 57.3632 38.8306 174.7760 65 L 4.1301 9.4865 126.2131 54.8921 43.5429 177.3593 66 G 3.3066 5.3800 105.5882 44.4626 0.0000 171.6075 67 L 5.0062 7.6290 120.5835 54.5329 43.7402 175.5630 68 E 4.2266 8.8306 118.6026 56.7035 30.1983 175.9090 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 P 0.00 4.21 0.00 2.05 2.09 0.00 3.71 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 1.86 1.97 0.00 3 K 8.16 4.41 0.00 1.85 1.85 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.54 7.81 4 H 9.50 5.07 0.00 3.45 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.85 5.12 0.00 1.90 1.53 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 0.00 2.09 2.24 0.00 6 F 9.53 5.28 0.00 3.00 2.95 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 7 S 9.28 5.03 0.00 3.87 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 8 V 8.43 4.74 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 0.78 0.00 0.00 0.95 0.00 0.00 9 D 9.07 4.65 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.34 4.72 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.48 0.00 11 T 8.21 4.62 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 12 C 7.56 4.66 0.00 3.07 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.67 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 14 G 8.06 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.98 4.15 0.00 3.26 2.99 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 0.00 0.00 0.00 0.00 16 A 7.91 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 17 E 8.50 3.86 0.00 2.11 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 2.31 2.35 0.00 18 A 8.07 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 19 V 7.58 3.43 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 0.82 0.00 0.00 0.95 0.00 0.00 20 S 8.18 3.82 0.00 4.03 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 21 R 8.12 3.88 0.00 2.00 2.05 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 22 V 7.63 3.65 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 0.78 0.00 0.00 0.87 0.00 0.00 23 L 7.69 3.91 0.00 1.26 1.34 0.25 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.01 4.49 0.00 2.91 2.93 0.00 0.00 6.99 7.22 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 25 K 7.84 4.08 0.00 1.86 1.97 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.43 7.81 26 L 7.60 4.03 0.00 1.60 1.85 0.72 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.66 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.63 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 0.00 0.00 0.00 29 V 7.83 4.85 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.18 0.00 0.00 30 K 9.06 4.65 0.00 1.81 1.66 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.28 7.81 31 Y 7.83 5.61 0.00 3.09 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 32 D 9.19 4.97 0.00 2.74 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 33 I 8.56 4.98 1.96 0.00 0.00 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 1.30 0.91 0.95 0.00 0.00 34 D 9.04 4.71 0.00 2.70 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 35 L 8.66 3.92 0.00 1.78 1.65 1.04 1.01 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 36 P 0.00 4.25 0.00 2.08 2.12 0.00 3.97 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 2.04 2.13 0.00 37 N 8.65 4.63 0.00 2.95 2.85 0.00 0.00 7.21 7.18 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 38 K 7.94 3.88 0.00 1.96 2.04 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.40 7.81 39 K 8.11 5.29 0.00 1.70 1.67 0.00 1.61 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.65 7.81 40 V 9.03 4.88 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 1.01 0.00 0.00 0.94 0.00 0.00 41 C 9.03 5.51 0.00 3.33 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 9.51 5.30 2.15 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 1.34 1.04 1.06 0.00 0.00 43 E 9.16 5.25 0.00 1.91 1.86 0.00 0.00 0.00 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 2.27 0.00 44 S 8.44 4.82 0.00 4.09 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 45 E 8.85 4.21 0.00 1.89 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 2.25 2.37 0.00 46 H 7.58 4.52 0.00 3.20 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.38 4.41 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.47 3.90 0.00 1.84 1.80 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 1.51 2.13 0.00 49 D 7.96 4.35 0.00 2.70 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 50 T 7.80 3.83 4.40 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 1.12 0.00 0.00 51 L 8.00 3.87 0.00 1.94 1.52 1.12 0.33 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 52 L 8.34 3.83 0.00 1.95 1.83 1.12 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.15 3.98 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 54 T 7.61 3.72 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 1.09 0.00 0.00 55 L 7.82 4.00 0.00 1.60 1.54 0.04 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.46 4.05 0.00 1.79 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.61 7.81 57 K 7.82 4.11 0.00 1.86 1.84 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.70 7.81 58 T 7.44 4.05 4.20 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 1.19 0.00 0.00 59 G 7.96 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.30 4.38 0.00 1.74 1.73 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.37 7.81 61 T 8.22 4.24 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 1.23 0.00 0.00 62 V 8.40 5.20 2.12 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 0.96 0.00 0.00 0.95 0.00 0.00 63 S 8.94 4.85 0.00 3.96 3.94 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 64 Y 8.73 4.51 0.00 2.88 2.87 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 0.00 0.00 0.00 65 L 9.49 4.13 0.00 1.36 1.50 0.87 0.99 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 66 G 5.38 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.63 5.01 0.00 1.75 1.59 0.96 0.58 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 68 E 8.83 4.23 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00