NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2896 8.3293 119.6861 55.0414 30.1147 174.8424 2 P 4.3152 0.0000 0.0000 61.8535 32.1885 174.1925 3 L 4.3507 8.7987 120.6543 53.5063 43.7581 178.0765 4 R 4.2638 7.7056 119.4237 55.8726 30.7701 178.5863 5 K 4.0534 8.5833 118.6800 59.4814 32.1711 179.4369 6 L 4.0147 8.1135 120.1682 57.6400 42.0426 178.4357 7 C 5.0335 7.9800 114.0687 56.8094 38.7459 174.1077 8 I 4.6419 8.0553 110.7936 60.6843 38.9253 176.2840 9 L 4.0822 8.0309 119.7528 55.3979 41.7315 173.0372 10 H 4.2141 7.8216 125.6320 55.2886 31.4277 175.3135 11 R 3.9511 8.0365 122.5893 56.2801 27.7716 174.4549 12 N 4.7870 8.3565 123.0829 51.4005 39.0128 174.4765 13 P 3.9983 0.0000 0.0000 66.2835 31.7104 176.2119 14 G 3.7294 7.6414 102.0866 44.4225 0.0000 174.5065 15 R 4.1611 7.8598 119.3011 54.4037 28.4038 177.3935 16 C 4.6152 7.9580 115.0574 55.9300 47.9420 169.3067 17 Y 3.1056 6.9397 124.4753 59.4345 36.0573 170.2338 18 Q 3.2004 8.1884 122.3355 54.4261 27.9904 174.2611 19 K 4.6202 8.8189 126.4207 56.8269 39.1285 175.7409 20 I 4.5269 7.4546 119.9791 59.0876 37.3609 172.4387 21 P 4.2842 0.0000 0.0000 61.8957 32.2445 176.1965 22 A 4.3986 8.6463 128.7040 51.4854 25.7880 175.8584 23 F 5.9388 10.3492 116.4121 58.0812 44.2330 172.8068 24 Y 5.4743 9.3586 117.1021 54.9162 41.7328 173.8403 25 Y 4.4579 8.4597 123.1835 57.2481 39.4067 174.6177 26 N 4.1034 8.1706 127.5021 51.9524 39.9027 175.4972 27 Q 4.0245 7.9970 129.0543 55.7296 29.1378 176.9825 28 K 4.4854 7.4419 115.6428 57.9962 37.6613 178.4449 29 K 3.9077 8.1889 118.0453 57.9503 32.8779 176.1572 30 K 3.7301 7.9724 115.5044 55.2569 28.9954 173.9945 31 Q 4.5740 6.8795 120.5825 55.7371 33.0646 173.6364 32 C 4.9146 8.8132 123.2415 56.2049 40.8592 172.5041 33 E 4.7476 8.7412 128.2010 54.9528 31.3411 175.5500 34 G 3.9624 8.7170 111.0700 46.2008 0.0000 172.9136 35 F 5.1731 9.2206 116.5484 55.4489 41.9509 173.3018 36 T 4.4894 8.1884 117.5053 61.6454 69.6832 174.3494 37 W 3.7797 7.8878 135.0000 57.6587 31.8194 175.6706 38 S 4.2934 8.6793 121.1509 58.5034 62.6298 174.5319 39 G 4.2087 7.1407 115.9609 45.8218 0.0000 173.1018 40 C 4.7598 6.6502 110.7840 52.4265 42.5791 172.5613 41 G 3.4072 7.1572 108.4812 46.7011 0.0000 170.4936 42 G 3.9579 8.6889 105.6986 45.2909 0.0000 173.8492 43 N 4.9245 8.3470 118.9803 53.4186 37.8927 177.6713 44 S 4.6542 8.9138 123.5165 58.6159 62.3916 174.8027 45 N 3.9582 7.1119 114.8493 54.0711 37.6829 172.4387 46 R 4.6014 7.1346 117.3090 54.7267 30.5979 175.4520 47 F 4.8941 9.1645 124.1944 55.7334 42.5535 175.9508 48 K 4.2040 9.3288 125.9632 59.2264 32.4497 177.8354 49 T 4.4773 7.5460 108.6889 59.6559 72.4969 175.1362 50 I 3.4411 7.6059 123.2224 64.0919 36.9984 178.7973 51 E 3.8043 7.8212 119.2301 59.4982 29.3216 178.5935 52 E 3.8854 8.0981 116.6028 59.7252 29.6680 179.8063 53 C 2.7555 7.8693 118.0639 59.3753 44.2184 175.9296 54 R 3.2965 7.7032 119.3898 58.9434 28.1822 179.0773 55 R 3.7737 8.0144 118.4628 59.1592 29.3696 178.4749 56 T 4.2352 7.3684 113.7351 65.2571 69.4140 177.0768 57 C 4.0293 7.6805 115.3974 57.4977 40.5614 174.1535 58 I 3.7727 7.2870 118.7107 59.6694 39.0397 175.6803 59 R 4.1890 7.1575 116.0213 56.1878 31.1918 175.9005 60 K 4.1241 8.3328 120.7334 56.7750 32.1454 177.0003 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 Q 8.33 4.29 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 2 P 0.00 4.32 0.00 2.27 2.07 0.00 3.76 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 1.99 2.05 0.00 3 L 8.80 4.35 0.00 1.67 1.75 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.71 4.26 0.00 2.07 1.89 0.00 3.30 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 5 K 8.58 4.05 0.00 1.82 1.89 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.40 7.81 6 L 8.11 4.01 0.00 1.71 1.82 0.90 0.98 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 C 7.98 5.03 0.00 3.14 3.16 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 8 I 8.06 4.64 1.94 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 1.59 1.01 1.07 0.00 0.00 9 L 8.03 4.08 0.00 1.72 1.80 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 10 H 7.82 4.21 0.00 3.43 3.36 0.00 5.95 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.04 3.95 0.00 1.37 1.62 0.00 2.21 0.00 0.00 2.59 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.50 0.00 12 N 8.36 4.79 0.00 2.86 2.80 0.00 0.00 7.10 8.07 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 13 P 0.00 4.00 0.00 2.04 2.21 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 14 G 7.64 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 0.00 0.00 0.00 15 R 7.86 4.16 0.00 1.73 1.83 0.00 3.19 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 16 C 7.96 4.62 0.00 2.74 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 17 Y 6.94 3.11 0.00 3.18 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 18 Q 8.19 3.20 0.00 2.11 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 19 K 8.82 4.62 0.00 2.02 2.29 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.58 1.56 7.81 20 I 7.45 4.53 0.59 0.00 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.36 0.46 0.00 0.00 21 P 0.00 4.28 0.00 1.84 1.88 0.00 3.61 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 22 A 8.65 4.40 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 10.35 5.94 0.00 3.27 3.16 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 24 Y 9.36 5.47 0.00 2.65 2.16 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 25 Y 8.46 4.46 0.00 2.67 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 26 N 8.17 4.10 0.00 2.28 2.52 0.00 0.00 6.85 6.90 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 27 Q 8.00 4.02 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.64 0.00 0.00 0.00 0.00 0.00 1.78 2.22 0.00 28 K 7.44 4.49 0.00 1.72 1.74 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.32 7.81 29 K 8.19 3.91 0.00 1.67 1.86 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.44 7.81 30 K 7.97 3.73 0.00 1.95 1.94 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.30 7.81 31 Q 6.88 4.57 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.10 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 32 C 8.81 4.91 0.00 2.91 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 33 E 8.74 4.75 0.00 1.99 1.78 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 2.36 2.49 0.00 34 G 8.72 3.96 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 0.00 0.00 0.00 35 F 9.22 5.17 0.00 2.97 3.20 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 36 T 8.19 4.49 4.14 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 0.00 0.00 1.15 0.00 0.00 37 W 7.89 3.78 0.00 2.97 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 38 S 8.68 4.29 0.00 3.92 3.67 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 39 G 7.14 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 0.00 0.00 0.00 0.00 40 C 6.65 4.76 0.00 2.99 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 41 G 7.16 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.69 3.96 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 0.00 0.00 0.00 43 N 8.35 4.92 0.00 2.81 2.19 0.00 0.00 6.79 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.91 4.65 0.00 3.93 3.21 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 0.00 45 N 7.11 3.96 0.00 3.11 2.90 0.00 0.00 7.30 7.80 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 46 R 7.13 4.60 0.00 2.22 1.78 0.00 3.33 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.71 0.00 47 F 9.16 4.89 0.00 3.37 2.89 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 48 K 9.33 4.20 0.00 1.83 1.95 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.48 7.81 49 T 7.55 4.48 4.15 0.00 0.00 0.00 0.00 0.00 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 50 I 7.61 3.44 1.61 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.17 0.76 0.00 0.00 51 E 7.82 3.80 0.00 1.93 1.90 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 2.31 2.30 0.00 52 E 8.10 3.89 0.00 2.06 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 2.35 2.48 0.00 53 C 7.87 2.76 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 54 R 7.70 3.30 0.00 1.90 1.78 0.00 3.09 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.68 0.00 55 R 8.01 3.77 0.00 1.91 1.93 0.00 3.07 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 56 T 7.37 4.24 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 1.30 0.00 0.00 57 C 7.68 4.03 0.00 2.24 1.83 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 58 I 7.29 3.77 1.81 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.70 0.82 0.00 0.00 59 R 7.16 4.19 0.00 1.85 1.96 0.00 3.36 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 60 K 8.33 4.12 0.00 1.75 1.67 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.49 1.34 7.81