NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5980 8.0433 122.7584 54.8794 44.1198 175.1331 2 K 4.9817 9.1149 123.6913 54.4439 35.6372 173.3324 3 C 5.4152 9.9423 122.5868 55.0210 44.7308 173.0790 4 N 5.3867 9.4357 119.1994 53.4941 39.2196 174.3604 5 Q 4.7920 8.6017 117.9939 54.2769 32.2303 175.8757 6 L 4.1356 8.6363 119.4359 57.2311 42.2755 178.0002 7 I 4.2521 7.4462 118.6198 59.1282 38.4376 173.5533 8 P 2.9700 0.0000 0.0000 61.5906 31.5103 174.8105 9 P 3.9693 0.0000 0.0000 63.0597 31.0378 177.4907 10 F 4.5031 9.0628 115.8955 58.6278 36.9554 173.5607 11 Y 5.4850 6.7738 117.4481 56.2660 41.1328 174.1451 12 K 4.6616 9.1098 118.2432 56.1718 36.4183 174.8007 13 T 4.6431 8.5954 120.3371 63.3872 69.1013 175.2661 14 C 4.6089 9.0529 125.0850 56.6805 35.9814 173.9554 15 A 4.2624 8.6125 125.2368 51.1719 19.0069 176.6911 16 A 4.2259 8.2291 122.7429 53.6870 18.9422 176.9055 17 G 4.0888 9.0010 110.5865 45.6513 0.0000 173.9582 18 K 4.4634 7.6503 119.5400 55.0275 31.0313 175.5976 19 N 5.0543 8.4104 122.2561 52.0181 38.0938 174.7820 20 L 5.0213 7.7203 117.1570 54.2967 46.6238 174.7714 21 C 5.6458 9.3287 119.5709 55.7641 38.0755 172.4243 22 Y 5.5112 8.7780 118.7027 55.8538 42.0362 173.7391 23 K 4.6237 9.1137 118.2016 54.7234 36.6560 175.1211 24 M 4.9033 8.7146 124.2146 53.6683 34.8954 174.3955 25 F 5.3338 9.0215 124.1646 55.8405 43.3884 173.6559 26 M 5.0474 8.4799 120.7093 53.3595 34.5986 175.4083 27 V 3.6376 8.2980 125.6305 64.5787 32.1369 175.1165 28 A 3.6930 8.9157 125.3014 52.7706 15.6806 177.5751 29 A 4.6214 7.0148 115.9056 52.7641 21.6623 178.1414 30 P 4.0628 0.0000 0.0000 66.1375 31.9869 177.7731 31 K 3.7800 8.0302 117.2617 58.8099 32.2555 176.7334 32 V 4.3435 7.2630 118.5825 60.0948 32.7447 173.4068 33 P 4.6082 0.0000 0.0000 62.5716 32.3531 175.7009 34 V 4.2170 8.2158 119.9570 64.0044 33.3478 175.8591 35 K 4.6446 7.4828 119.5779 55.1916 35.8033 174.9424 36 R 4.4128 8.3425 123.9962 53.8842 34.8214 175.4488 37 G 4.0481 6.9273 108.1326 46.6401 0.0000 171.0264 38 C 5.2269 8.5134 117.4794 56.4547 38.6633 172.5212 39 I 4.4295 8.2240 120.3936 60.2838 40.9398 175.2459 40 D 4.5427 8.6203 124.2331 55.3551 39.9601 177.2022 41 V 4.3327 7.1152 110.3933 58.7780 35.2186 175.7649 42 C 4.2966 8.5571 122.9533 55.1137 43.2806 171.7017 43 P 4.1226 0.0000 0.0000 62.2937 31.3230 176.5880 44 K 4.1859 8.1814 121.3829 56.3603 32.6596 177.5063 45 S 4.8280 8.5826 119.5579 58.4808 63.7944 173.6505 46 S 4.7329 8.7843 116.0729 57.1533 65.4751 173.6734 47 L 4.1824 8.6295 118.4723 57.1321 41.8308 177.7674 48 L 4.5729 7.9191 117.2700 54.4717 43.9285 175.9663 49 V 4.8750 7.7973 118.1995 60.7761 34.6904 174.5881 50 K 4.9688 9.0348 126.8254 54.7828 35.3409 174.6535 51 Y 5.3165 8.8840 121.0545 56.2331 41.3840 175.2737 52 V 4.6179 8.8629 122.5334 61.4321 34.6584 173.6298 53 C 5.8637 9.0211 124.1687 55.5245 42.3996 171.8004 54 C 5.1728 9.1979 115.4082 53.7098 45.6681 173.3749 55 N 5.2587 8.6534 114.5546 52.7405 37.5593 174.0892 56 T 4.7147 7.6688 106.9931 60.1388 72.0171 172.5429 57 D 4.5698 8.7973 121.8700 56.6745 41.1049 176.9044 58 R 3.8748 9.1361 123.2791 57.2717 28.3378 174.9557 59 C 4.4961 7.9380 112.4707 56.4949 42.5033 173.1961 60 N 4.5265 8.0015 122.6379 52.9519 37.1983 174.6396 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 L 8.04 4.60 0.00 1.81 1.62 1.04 0.55 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 2 K 9.11 4.98 0.00 1.70 1.69 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.50 7.81 3 C 9.94 5.42 0.00 2.87 3.07 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 0.00 0.00 0.00 0.00 4 N 9.44 5.39 0.00 2.78 2.79 0.00 0.00 6.71 7.54 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 5 Q 8.60 4.79 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 6 L 8.64 4.14 0.00 1.68 1.81 0.90 0.81 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 7 I 7.45 4.25 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.57 0.79 0.00 0.00 8 P 0.00 2.97 0.00 1.65 1.34 0.00 3.44 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.39 0.00 9 P 0.00 3.97 0.00 1.60 1.96 0.00 3.41 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.45 0.00 10 F 9.06 4.50 0.00 3.37 3.22 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 11 Y 6.77 5.49 0.00 2.85 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 12 K 9.11 4.66 0.00 1.84 1.94 0.00 1.23 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.50 7.81 13 T 8.60 4.64 4.29 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 1.28 0.00 0.00 14 C 9.05 4.61 0.00 2.88 3.12 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 0.00 0.00 0.00 0.00 15 A 8.61 4.26 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 16 A 8.23 4.23 1.25 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 0.00 0.00 0.00 17 G 9.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.65 4.46 0.00 1.90 1.90 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.52 7.81 19 N 8.41 5.05 0.00 2.79 2.87 0.00 0.00 6.05 7.79 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 20 L 7.72 5.02 0.00 1.76 1.57 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 21 C 9.33 5.65 0.00 2.87 3.12 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 0.00 0.00 0.00 0.00 22 Y 8.78 5.51 0.00 3.14 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 23 K 9.11 4.62 0.00 1.38 1.20 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.20 1.28 7.81 24 M 8.71 4.90 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.15 0.00 25 F 9.02 5.33 0.00 2.90 2.77 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 26 M 8.48 5.05 0.00 2.13 1.90 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 2.55 2.56 0.00 27 V 8.30 3.64 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 0.79 0.00 0.00 1.02 0.00 0.00 28 A 8.92 3.69 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 29 A 7.01 4.62 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 30 P 0.00 4.06 0.00 1.81 1.97 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 31 K 8.03 3.78 0.00 1.86 1.97 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.45 7.81 32 V 7.26 4.34 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 0.86 0.00 0.00 0.95 0.00 0.00 33 P 0.00 4.61 0.00 2.10 2.03 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 34 V 8.22 4.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.94 0.00 0.00 35 K 7.48 4.64 0.00 1.90 1.61 0.00 1.63 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.66 1.49 7.81 36 R 8.34 4.41 0.00 1.61 1.66 0.00 3.23 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 37 G 6.93 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.51 5.23 0.00 3.04 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 39 I 8.22 4.43 1.55 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.87 0.89 0.00 0.00 40 D 8.62 4.54 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.12 4.33 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 0.68 0.00 0.00 0.81 0.00 0.00 42 C 8.56 4.30 0.00 2.90 2.98 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 43 P 0.00 4.12 0.00 0.49 1.17 0.00 3.16 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.58 0.00 44 K 8.18 4.19 0.00 1.74 1.78 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.40 7.81 45 S 8.58 4.83 0.00 3.95 3.95 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 46 S 8.78 4.73 0.00 3.89 3.88 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 47 L 8.63 4.18 0.00 1.67 1.78 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.92 4.57 0.00 1.69 1.67 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.80 4.88 2.06 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 0.48 0.00 0.00 0.92 0.00 0.00 50 K 9.03 4.97 0.00 1.79 1.75 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.55 7.81 51 Y 8.88 5.32 0.00 2.96 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 52 V 8.86 4.62 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 1.08 0.00 0.00 1.17 0.00 0.00 53 C 9.02 5.86 0.00 2.90 3.07 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 0.00 0.00 0.00 0.00 54 C 9.20 5.17 0.00 2.97 3.17 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 0.00 0.00 0.00 55 N 8.65 5.26 0.00 2.81 2.89 0.00 0.00 5.80 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 56 T 7.67 4.71 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 1.22 0.00 0.00 57 D 8.80 4.57 0.00 2.68 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 58 R 9.14 3.87 0.00 1.86 2.08 0.00 3.44 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 59 C 7.94 4.50 0.00 3.06 3.27 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 60 N 8.00 4.53 0.00 2.78 2.83 0.00 0.00 5.92 7.56 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