NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4376 8.2893 120.3260 54.1314 33.6933 174.9069 2 P 4.1530 0.0000 0.0000 62.8990 32.1420 174.5493 3 R 4.4875 8.9086 123.3038 55.9756 32.3508 176.4232 4 L 4.8303 9.0282 123.7088 53.2428 44.8421 175.1320 5 K 4.6946 9.0583 129.5027 55.4297 33.4307 175.3004 6 V 4.6199 9.0371 128.1146 61.0507 34.7534 174.5894 7 K 5.4438 8.3607 127.1515 53.6144 35.4346 174.9599 8 L 4.2554 8.6582 130.8570 55.7513 42.5062 177.2387 9 V 4.4498 9.2064 119.2027 60.7992 33.7965 175.8895 10 K 4.4950 7.7673 120.9897 53.8067 34.7846 175.4586 11 S 4.1816 8.8282 120.8197 58.2334 62.8043 172.4138 12 P 4.3311 0.0000 0.0000 64.8147 31.6527 173.5872 13 I 3.9077 7.7302 121.2142 61.6875 36.3440 173.7387 14 G 3.2828 8.1361 113.8945 44.9530 0.0000 170.9478 15 Y 4.5705 8.4542 119.3978 55.3222 40.1909 174.2199 16 P 4.2699 0.0000 0.0000 62.9972 33.1036 177.2287 17 K 3.8736 8.8276 122.0417 59.8778 31.9845 178.5968 18 D 4.4930 8.2154 118.3618 57.1529 39.1873 178.5008 19 Q 3.8543 8.3035 119.5282 58.3418 28.6468 179.4617 20 K 4.0492 8.0576 119.1803 59.3761 32.3534 179.0347 21 A 4.0206 8.7805 121.5108 55.6195 17.8812 178.8192 22 A 3.9046 8.4556 119.1944 55.3489 18.6866 179.0650 23 L 4.0085 7.7784 114.5438 57.7672 41.8320 179.7367 24 K 3.8052 7.9983 118.8921 59.7979 31.8356 178.5690 25 A 4.0123 7.8407 119.3935 54.4194 18.2392 178.5344 26 L 4.5220 8.0776 115.7945 53.2478 42.4280 176.6999 27 G 3.9928 7.9962 106.7749 46.6723 0.0000 174.0161 28 L 4.9336 7.8869 117.4315 52.8380 43.5406 175.1675 29 R 4.2198 8.8948 123.1674 57.1398 31.9762 178.0427 30 R 4.1590 8.0217 120.7115 56.1364 31.6973 176.2097 31 L 4.2673 8.1736 119.2918 54.6101 42.5666 177.0506 32 Q 3.5343 8.3825 114.9317 56.8825 27.1787 173.7668 33 Q 4.4072 7.6148 119.2506 55.5654 30.3795 174.5259 34 E 5.2191 8.3731 124.1903 55.0010 32.9735 175.3569 35 R 4.4931 8.8143 120.0182 55.6518 34.3048 173.6934 36 V 4.9695 8.5082 119.3975 59.7209 33.8987 175.0307 37 L 4.8674 8.8579 124.1241 52.4621 46.5366 175.6550 38 E 4.1844 8.8158 120.3535 56.7539 29.7946 176.0650 39 D 4.6651 8.5480 126.6525 54.8118 40.5409 175.5898 40 T 4.7126 7.9872 113.3829 58.0705 71.9476 172.8684 41 P 3.9343 0.0000 0.0000 65.6593 30.8863 178.1137 42 A 3.9774 7.9963 118.6646 55.7162 18.4655 179.7512 43 I 3.5689 7.2493 117.0559 64.6659 37.2931 178.3361 44 R 3.9499 8.7212 119.1533 60.5594 29.9495 178.8232 45 G 3.8356 8.6376 103.1835 48.5082 0.0000 175.1263 46 N 4.2806 8.1569 118.1445 55.6037 38.7511 177.5457 47 V 3.5590 7.8727 118.4395 66.5412 31.7734 177.6488 48 E 4.0864 8.9702 118.3266 59.2122 29.0714 178.4418 49 K 3.7232 7.7992 118.4018 59.7078 33.0628 178.6239 50 V 3.8002 7.7020 111.8936 60.6209 31.3175 178.1553 51 A 3.9081 7.7757 123.8491 55.6069 18.5337 179.1109 52 H 4.1465 8.0563 110.4896 57.9106 28.6208 175.4441 53 L 4.5375 7.6082 119.0108 54.6324 43.9130 176.2453 54 V 4.8852 7.6836 117.0326 60.9637 34.9768 174.8127 55 R 4.5733 8.3421 123.3323 54.5294 31.7518 176.1906 56 V 3.8901 8.3421 124.1521 62.7867 33.1473 175.7306 57 E 4.4727 8.3878 125.7544 55.3923 31.9640 174.0889 58 V 4.0947 8.3885 127.5766 62.9227 32.2061 175.3389 59 V 4.2450 8.4716 130.0492 61.7802 33.9863 176.1283 *60 E 4.1603 8.5040 118.6649 56.1690 30.3181 176.5339 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 8.29 4.44 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.15 0.00 2.19 2.20 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 3 R 8.91 4.49 0.00 1.79 1.88 0.00 3.06 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 4 L 9.03 4.83 0.00 1.69 1.51 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.06 4.69 0.00 1.85 1.84 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.37 7.81 6 V 9.04 4.62 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 0.93 0.00 0.00 0.91 0.00 0.00 7 K 8.36 5.44 0.00 1.79 1.58 0.00 1.94 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.28 7.81 8 L 8.66 4.26 0.00 1.70 1.52 0.96 0.97 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 9 V 9.21 4.45 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 0.77 0.00 0.00 0.94 0.00 0.00 10 K 7.77 4.49 0.00 1.65 1.58 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.42 7.81 11 S 8.83 4.18 0.00 3.89 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 12 P 0.00 4.33 0.00 2.29 2.24 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 13 I 7.73 3.91 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.83 0.94 0.00 0.00 14 G 8.14 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 0.00 0.00 0.00 15 Y 8.45 4.57 0.00 2.97 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 16 P 0.00 4.27 0.00 2.25 2.06 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 17 K 8.83 3.87 0.00 1.77 1.91 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.50 7.81 18 D 8.22 4.49 0.00 2.88 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 Q 8.30 3.85 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.97 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 20 K 8.06 4.05 0.00 2.06 1.86 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.31 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.73 7.81 21 A 8.78 4.02 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 22 A 8.46 3.90 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 23 L 7.78 4.01 0.00 1.91 1.73 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.00 3.81 0.00 1.85 2.02 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 25 A 7.84 4.01 1.41 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 26 L 8.08 4.52 0.00 1.65 1.67 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.00 3.99 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 0.00 0.00 0.00 28 L 7.89 4.93 0.00 1.60 1.57 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.89 4.22 0.00 1.71 1.73 0.00 3.16 0.00 0.00 3.22 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 30 R 8.02 4.16 0.00 1.79 1.88 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 31 L 8.17 4.27 0.00 1.71 1.59 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.38 3.53 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 33 Q 7.61 4.41 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 34 E 8.37 5.22 0.00 1.85 1.80 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 0.00 2.19 2.25 0.00 35 R 8.81 4.49 0.00 1.81 1.70 0.00 3.20 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 36 V 8.51 4.97 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 0.77 0.00 0.00 0.93 0.00 0.00 37 L 8.86 4.87 0.00 1.51 1.48 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.82 4.18 0.00 1.83 1.93 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 2.31 2.37 0.00 39 D 8.55 4.67 0.00 2.65 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 40 T 7.99 4.71 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 41 P 0.00 3.93 0.00 2.18 2.06 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 42 A 8.00 3.98 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 43 I 7.25 3.57 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.99 0.90 0.00 0.00 44 R 8.72 3.95 0.00 1.94 2.01 0.00 3.16 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 45 G 8.64 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.16 4.28 0.00 2.92 2.87 0.00 0.00 6.77 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 47 V 7.87 3.56 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 0.81 0.00 0.00 0.96 0.00 0.00 48 E 8.97 4.09 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 49 K 7.80 3.72 0.00 1.94 1.87 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.53 7.81 50 V 7.70 3.80 1.87 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 0.72 0.00 0.00 0.84 0.00 0.00 51 A 7.78 3.91 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 52 H 8.06 4.15 0.00 3.24 3.50 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.61 4.54 0.00 1.52 1.69 0.54 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.68 4.89 2.02 0.00 0.00 0.00 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 0.86 0.00 0.00 55 R 8.34 4.57 0.00 1.81 1.81 0.00 3.16 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 56 V 8.34 3.89 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 0.73 0.00 0.00 0.91 0.00 0.00 57 E 8.39 4.47 0.00 2.01 1.93 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 2.20 2.23 0.00 58 V 8.39 4.09 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 0.93 0.00 0.00 59 V 8.47 4.25 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 0.93 0.00 0.00 *60 E 8.50 4.16 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.