NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3937 8.1476 120.5910 54.2548 34.0234 175.1576 2 Y 4.7595 7.7839 112.2025 55.1017 41.3863 172.5279 3 K 4.6772 8.7528 119.1169 56.9238 36.5114 174.5848 4 F 5.8002 9.4070 119.3066 55.5550 40.1191 175.8576 5 E 4.5551 8.9826 123.5290 55.2858 31.0996 175.2167 6 I 5.1476 8.5962 126.7253 60.0095 38.3962 174.6440 7 Y 5.1543 8.8038 124.9821 55.2318 42.0829 174.0990 8 Q 4.6120 8.4829 116.9979 54.0240 30.8386 175.1052 9 D 4.7265 8.3872 120.7663 53.1442 42.1378 176.9460 10 K 3.7086 8.7869 121.4878 60.1912 32.1320 177.6439 11 A 4.1154 8.1190 118.6263 52.1818 17.9444 177.5108 12 G 3.7207 8.0965 104.4713 46.7472 0.0000 174.7519 13 E 4.3344 7.6505 120.7578 54.2552 28.7877 174.4378 14 Y 4.5325 8.1999 121.6299 58.6855 39.2203 175.8518 15 R 4.9473 8.9255 119.3677 55.4997 33.8433 173.5007 16 F 5.4932 7.8928 113.0641 55.6153 41.4361 173.8957 17 R 4.5597 9.0988 120.4307 54.4728 33.4940 174.5911 18 F 5.1987 7.8613 121.8871 56.6404 42.7907 174.6995 19 K 4.7487 7.5378 123.9588 54.9725 34.5204 174.9839 20 A 4.5014 8.1046 120.8243 49.9962 22.2656 177.6890 21 S 4.5222 9.1369 113.0562 60.7854 62.9364 174.8595 22 N 4.5813 8.2373 117.5100 52.8886 38.7863 174.5391 23 G 3.9263 8.1103 103.3103 46.0610 0.0000 174.2975 24 E 4.6460 7.4093 114.8123 54.3766 33.0749 175.1595 25 T 4.4895 8.3716 118.8103 63.5745 69.2874 174.3073 26 M 4.7095 8.3946 121.2804 55.2268 33.3241 175.3121 27 F 5.0820 7.6442 112.8458 55.6863 41.6003 173.0006 28 S 4.5535 8.6396 113.3959 56.6406 65.3287 173.0568 29 S 4.8534 7.9960 121.1247 56.4822 63.9367 173.6378 30 E 4.0103 8.7228 118.3587 56.8320 29.7779 178.6850 31 G 4.6121 8.0933 106.3410 46.0142 0.0000 173.0842 32 Y 4.5235 9.4103 123.1247 57.0999 38.9787 168.2618 33 K 4.4291 7.7589 118.9306 56.6914 39.7649 174.2973 34 A 4.3670 7.2532 118.9133 49.8433 22.2955 175.9584 35 K 3.8323 7.8491 116.2496 59.8874 32.2125 179.0915 36 A 3.9922 7.8432 120.5162 55.5353 18.2755 179.6510 37 S 4.2903 8.0403 112.7355 61.2589 62.9957 176.6410 38 A 4.1723 8.0193 123.7626 55.2916 18.1868 179.5705 39 I 3.4357 7.7842 118.1707 64.9586 37.0021 178.3387 40 H 3.9407 7.9228 115.1833 58.6808 28.8668 177.4399 41 A 3.9431 7.9733 122.3711 55.3689 18.3729 179.8245 42 I 2.9298 7.0902 117.9071 64.0858 36.3677 178.5513 43 E 3.8112 7.9749 119.8334 59.3735 28.6985 179.2341 44 S 4.0921 7.7980 114.9351 61.8252 62.7111 177.0124 45 I 3.6966 7.3660 122.1926 64.2183 36.6280 178.6264 46 K 4.0346 7.3668 117.0930 59.0467 31.7907 179.4140 47 R 4.1116 7.3688 117.4542 57.9298 30.3491 177.8183 48 N 4.6589 7.3549 112.1053 54.5453 40.8431 176.0167 49 S 4.0464 8.0507 114.9063 60.8478 62.5754 176.2638 50 A 4.0910 8.1697 122.1753 54.1722 18.2179 177.9039 51 G 3.9296 7.8440 102.4924 45.2826 0.0000 174.1095 52 A 4.0905 7.3223 122.8198 51.9793 18.9295 176.9908 53 D 4.5003 8.3469 119.5923 54.2375 42.0202 176.4425 54 T 4.3580 8.1719 119.6161 61.7826 69.2899 173.3329 55 V 4.0530 8.1174 126.0849 61.0238 32.7190 174.6586 56 D 4.7223 8.4787 127.0937 52.6921 41.3473 175.7769 57 L 4.1403 8.4213 127.7841 57.7071 42.0179 177.9360 58 T 4.2961 7.8798 110.8120 62.4781 67.3999 175.6525 59 T 4.3209 7.3858 111.8271 61.0448 66.9144 173.1511 60 M 4.6963 7.5231 123.7366 53.8690 35.4703 175.8563 61 T 3.9681 8.5796 114.0515 61.6512 69.3348 174.2083 62 A 4.1923 8.3197 128.5230 52.2937 19.3099 175.2351 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 M 8.15 4.39 0.00 1.73 1.64 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.06 0.00 2 Y 7.78 4.76 0.00 2.50 2.66 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 0.00 0.00 0.00 0.00 3 K 8.75 4.68 0.00 2.03 2.08 0.00 1.45 0.00 0.00 1.94 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.54 7.81 4 F 9.41 5.80 0.00 2.98 3.13 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 5 E 8.98 4.56 0.00 2.13 2.18 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 2.38 2.50 0.00 6 I 8.60 5.15 2.01 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 1.53 0.76 1.12 0.00 0.00 7 Y 8.80 5.15 0.00 2.98 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 8 Q 8.48 4.61 0.00 1.40 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.86 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 9 D 8.39 4.73 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.79 3.71 0.00 1.88 1.97 0.00 1.52 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.55 7.81 11 A 8.12 4.12 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 12 G 8.10 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.65 4.33 0.00 1.98 1.88 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 2.34 2.30 0.00 14 Y 8.20 4.53 0.00 2.99 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 15 R 8.93 4.95 0.00 1.67 1.80 0.00 2.63 0.00 0.00 2.76 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 16 F 7.89 5.49 0.00 3.21 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 17 R 9.10 4.56 0.00 1.83 1.82 0.00 3.06 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 18 F 7.86 5.20 0.00 2.61 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 19 K 7.54 4.75 0.00 1.51 1.62 0.00 1.61 0.00 0.00 1.88 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.48 7.81 20 A 8.10 4.50 1.11 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 0.00 0.00 21 S 9.14 4.52 0.00 4.03 4.18 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 22 N 8.24 4.58 0.00 2.68 2.93 0.00 0.00 7.09 7.96 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 23 G 8.11 3.93 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 0.00 0.00 0.00 24 E 7.41 4.65 0.00 2.05 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 2.20 2.24 0.00 25 T 8.37 4.49 4.19 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 1.22 0.00 0.00 26 M 8.39 4.71 0.00 2.05 2.19 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 2.38 2.38 0.00 27 F 7.64 5.08 0.00 3.03 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 28 S 8.64 4.55 0.00 3.84 3.73 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 0.00 0.00 0.00 0.00 29 S 8.00 4.85 0.00 3.57 2.79 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 0.00 0.00 0.00 30 E 8.72 4.01 0.00 2.22 2.20 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 2.39 2.49 0.00 31 G 8.09 4.61 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 32 Y 9.41 4.52 0.00 3.13 3.29 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 0.00 0.00 0.00 0.00 33 K 7.76 4.43 0.00 1.43 1.58 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.15 1.36 7.81 34 A 7.25 4.37 1.03 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 35 K 7.85 3.83 0.00 1.46 1.55 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.55 7.81 36 A 7.84 3.99 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 37 S 8.04 4.29 0.00 4.18 4.16 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 0.00 0.00 0.00 0.00 38 A 8.02 4.17 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.78 3.44 1.81 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.39 0.79 0.00 0.00 40 H 7.92 3.94 0.00 3.29 3.37 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.97 3.94 1.37 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 0.00 0.00 42 I 7.09 2.93 1.47 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.36 -0.07 0.00 0.00 43 E 7.97 3.81 0.00 2.07 1.88 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 2.30 2.30 0.00 44 S 7.80 4.09 0.00 4.00 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 I 7.37 3.70 1.61 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.96 0.97 0.00 0.00 46 K 7.37 4.03 0.00 1.80 1.84 0.00 1.59 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.53 7.81 47 R 7.37 4.11 0.00 1.87 1.95 0.00 3.33 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.73 0.00 48 N 7.35 4.66 0.00 2.65 2.66 0.00 0.00 6.67 7.63 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 49 S 8.05 4.05 0.00 3.83 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 50 A 8.17 4.09 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 51 G 7.84 3.93 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 0.00 0.00 0.00 52 A 7.32 4.09 1.26 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 0.00 0.00 53 D 8.35 4.50 0.00 2.62 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 54 T 8.17 4.36 4.23 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 1.20 0.00 0.00 55 V 8.12 4.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 56 D 8.48 4.72 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 4.14 0.00 1.67 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.88 4.30 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 1.27 0.00 0.00 59 T 7.39 4.32 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 1.29 0.00 0.00 60 M 7.52 4.70 0.00 1.97 1.97 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 2.64 2.48 0.00 61 T 8.58 3.97 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 62 A 8.32 4.19 1.20 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 0.00 0.00