NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 K 4.2906 8.1727 120.1399 56.2938 34.7110 177.4232 10 K 3.9075 8.3136 119.7762 59.6823 31.8902 177.0938 11 T 3.8213 8.7662 116.7423 66.5971 68.6320 175.4253 12 N 4.3540 7.9130 117.3584 54.9955 38.5974 177.5489 13 W 4.1290 7.8043 120.4825 59.4754 29.3926 178.1709 14 L 3.6578 8.1047 119.0969 57.7448 41.0288 179.6393 15 K 3.8142 7.7288 119.1648 59.1441 32.1547 178.9930 16 R 3.7829 7.5970 119.2113 59.3979 29.6776 178.4655 17 I 3.6944 8.1998 113.3702 64.2567 37.1614 177.3791 18 Y 3.8857 7.9844 120.7116 60.4812 38.6734 178.0470 19 R 4.1223 8.0353 117.5322 58.2234 30.3484 178.3326 20 V 4.2989 7.5472 110.5436 60.7778 32.3019 176.5590 21 R 4.4178 7.1159 115.6517 53.1035 30.3598 174.0026 22 P 4.4972 0.0000 0.0000 61.5775 32.6727 175.9520 23 C 4.1551 8.8682 119.8893 59.9149 31.6961 175.1428 24 V 3.6486 8.0995 119.7897 64.0303 31.5698 177.8610 25 K 3.6232 7.9494 120.2236 58.6766 32.5191 177.1559 26 C 4.3234 7.8295 111.3034 57.2472 30.5180 174.9659 27 K 3.9773 8.1298 118.1466 57.0013 30.0084 175.4391 28 V 4.1051 7.1431 114.9637 64.1945 33.8495 175.6885 29 A 4.1899 7.5472 122.5075 51.1315 19.0544 175.2371 30 P 4.5599 0.0000 0.0000 62.2720 32.2050 176.4215 31 R 4.2382 7.7242 118.1509 55.9855 30.9997 175.7355 32 N 5.2355 8.5487 118.5500 53.2347 40.8566 173.3403 33 W 5.7195 8.1889 117.5894 55.6235 31.3479 173.6623 34 K 4.2799 8.8681 118.6003 55.4987 35.9403 175.6997 35 V 4.2550 8.4639 122.9036 61.7032 31.8750 174.5590 36 K 4.3462 8.5698 130.4235 55.8005 34.2297 176.9718 37 N 4.4644 9.1921 127.8174 54.8122 37.6418 174.5037 38 K 4.9259 9.1252 112.5645 56.3881 34.7518 174.4596 39 H 5.2978 9.2199 117.0381 53.9411 32.5491 172.6169 40 L 4.9058 9.7515 124.8073 53.5482 44.3978 174.8880 41 R 4.9055 8.7169 127.2652 55.1334 31.8444 174.7911 42 I 4.7077 8.7717 128.4123 59.9831 38.7475 175.4120 43 Y 4.8587 8.4927 125.3857 57.5775 38.5681 176.2700 44 N 4.6208 9.1992 118.4284 55.8251 39.1757 175.5031 45 M 5.0754 7.7907 116.3212 52.7875 35.7567 174.5864 46 C 4.5902 8.4937 115.9348 58.2124 30.3555 174.7520 47 K 4.0389 8.5895 119.9304 59.5555 31.6364 178.7051 48 T 4.0240 7.8463 109.9389 64.8820 69.0323 176.5393 49 C 4.2341 8.0551 119.0230 62.0453 28.2886 175.7349 50 F 4.2200 8.0576 122.6945 61.4903 39.0755 176.6732 51 N 4.1115 8.2270 116.1711 56.5376 38.3142 176.7606 52 N 4.2525 8.1483 118.3055 56.7294 38.9794 176.9059 53 S 4.1101 8.0835 115.6184 61.6154 62.9461 176.7450 54 I 3.5810 7.2848 122.9818 64.2460 36.6293 178.1411 55 D 4.4008 7.8296 118.8712 56.8140 40.7345 178.0842 56 I 4.1516 7.8792 111.5991 61.1502 38.1484 176.7783 57 G 3.8561 7.6292 108.1710 45.3011 0.0000 172.1995 58 D 4.8791 7.6396 118.6622 52.2967 42.6720 175.7160 59 D 4.6298 8.3256 124.4953 53.0456 39.9062 177.8524 60 T 3.6962 9.0515 112.8443 64.6521 68.6117 174.4465 61 Y 4.6800 7.7431 116.9195 57.6321 38.9072 175.4576 62 H 4.3726 7.9862 117.9097 56.3210 29.6686 175.2731 63 G 4.2189 8.3678 108.0224 44.6356 0.0000 171.2106 64 H 5.1021 7.2432 114.8059 55.3866 30.3444 173.0571 65 D 5.0461 8.6589 118.2268 51.6747 42.9016 174.1404 66 D 5.4956 8.3135 118.6005 52.4274 43.3505 175.7859 67 W 5.0715 9.6175 122.5290 54.7405 32.8346 174.7426 68 L 4.3896 8.7548 124.3631 54.5731 41.6023 176.8909 69 M 4.6794 8.0050 119.9459 54.9663 31.5505 174.8015 70 Y 4.5706 7.3151 114.3341 57.1562 42.8781 176.0490 71 A 4.0652 8.7329 122.7403 52.8391 18.5011 178.0421 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 9 K 8.17 4.29 0.00 1.93 2.16 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.46 7.81 10 K 8.31 3.91 0.00 1.98 1.87 0.00 1.93 0.00 0.00 1.89 0.00 0.00 3.31 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.69 7.81 11 T 8.77 3.82 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 1.12 0.00 0.00 12 N 7.91 4.35 0.00 2.69 2.48 0.00 0.00 6.94 8.26 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 13 W 7.80 4.13 0.00 3.64 3.19 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 0.00 14 L 8.10 3.66 0.00 1.71 1.50 0.90 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.73 3.81 0.00 1.66 1.86 0.00 1.42 0.00 0.00 1.45 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.36 7.81 16 R 7.60 3.78 0.00 1.92 2.03 0.00 2.33 0.00 0.00 2.89 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 17 I 8.20 3.69 1.81 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.28 0.91 0.00 0.00 18 Y 7.98 3.89 0.00 2.81 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 19 R 8.04 4.12 0.00 1.82 1.97 0.00 3.22 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 20 V 7.55 4.30 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 0.77 0.00 0.00 1.03 0.00 0.00 21 R 7.12 4.42 0.00 1.94 1.96 0.00 3.11 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 22 P 0.00 4.50 0.00 2.03 2.02 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 23 C 8.87 4.16 0.00 2.99 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 24 V 8.10 3.65 2.15 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 0.77 0.00 0.00 1.00 0.00 0.00 25 K 7.95 3.62 0.00 1.35 1.67 0.00 1.35 0.00 0.00 1.03 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.35 7.81 26 C 7.83 4.32 0.00 3.11 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 27 K 8.13 3.98 0.00 1.92 1.97 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.32 7.81 28 V 7.14 4.11 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 0.77 0.00 0.00 0.98 0.00 0.00 29 A 7.55 4.19 1.29 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 0.00 0.00 30 P 0.00 4.56 0.00 2.31 2.07 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 31 R 7.72 4.24 0.00 1.70 2.19 0.00 3.37 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.62 0.00 32 N 8.55 5.24 0.00 2.99 2.84 0.00 0.00 7.13 8.88 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 33 W 8.19 5.72 0.00 3.60 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 34 K 8.87 4.28 0.00 1.77 1.88 0.00 1.33 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.40 7.81 35 V 8.46 4.25 2.28 0.00 0.00 0.00 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 1.19 0.00 0.00 36 K 8.57 4.35 0.00 1.80 1.70 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.37 7.81 37 N 9.19 4.46 0.00 2.92 2.29 0.00 0.00 7.00 6.68 0.00 0.00 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 9.13 4.93 0.00 1.80 1.93 0.00 1.81 0.00 0.00 2.00 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.50 7.81 39 H 9.22 5.30 0.00 3.15 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.75 4.91 0.00 1.69 1.78 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.72 4.91 0.00 1.88 1.56 0.00 2.84 0.00 0.00 2.66 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.47 0.00 42 I 8.77 4.71 2.36 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 1.51 0.74 1.10 0.00 0.00 43 Y 8.49 4.86 0.00 3.09 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 44 N 9.20 4.62 0.00 3.10 3.02 0.00 0.00 7.15 7.53 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 45 M 7.79 5.08 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.50 0.00 46 C 8.49 4.59 0.00 3.16 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 4.04 0.00 1.90 1.87 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.33 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.60 7.81 48 T 7.85 4.02 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 1.23 0.00 0.00 49 C 8.06 4.23 0.00 3.03 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 50 F 8.06 4.22 0.00 3.06 3.15 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 0.00 51 N 8.23 4.11 0.00 2.94 2.85 0.00 0.00 6.75 7.07 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 52 N 8.15 4.25 0.00 2.91 2.96 0.00 0.00 6.98 7.67 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 53 S 8.08 4.11 0.00 4.25 4.34 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 54 I 7.28 3.58 1.78 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.17 0.81 0.00 0.00 55 D 7.83 4.40 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.88 4.15 1.87 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 1.71 0.62 0.93 0.00 0.00 57 G 7.63 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.64 4.88 0.00 2.63 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 59 D 8.33 4.63 0.00 2.48 2.58 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 60 T 9.05 3.70 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 1.11 0.00 0.00 61 Y 7.74 4.68 0.00 3.08 3.10 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 0.00 0.00 0.00 0.00 62 H 7.99 4.37 0.00 3.28 3.44 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.37 4.22 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 0.00 0.00 0.00 64 H 7.24 5.10 0.00 3.03 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.66 5.05 0.00 2.38 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.31 5.50 0.00 2.51 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 67 W 9.62 5.07 0.00 3.19 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 68 L 8.75 4.39 0.00 1.55 1.45 1.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 69 M 8.00 4.68 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 70 Y 7.32 4.57 0.00 2.82 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 71 A 8.73 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00