NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4473 8.1633 120.3519 56.0358 34.2092 177.3674 2 T 3.8581 7.7129 115.2054 66.3306 68.5334 175.1174 3 I 3.7675 7.9583 121.2250 64.4705 37.5510 177.7352 4 L 4.0149 8.0358 120.6268 58.1025 41.7196 178.8312 5 F 4.2918 8.4205 120.6483 61.4664 39.4509 177.4564 6 Q 3.6412 8.7419 117.7225 58.4199 28.2693 178.7389 7 L 3.8896 8.2868 120.7236 57.5834 41.7313 178.9490 8 A 3.9308 7.6832 120.2261 55.2596 18.1315 179.4834 9 L 3.6641 7.5614 117.3054 58.1652 42.5279 178.7494 10 A 4.0505 7.9928 120.5950 54.9681 18.2206 179.5094 11 A 3.9202 8.7352 120.0714 55.1908 17.9711 179.4925 12 L 3.8713 8.0587 118.7805 57.9434 41.8315 179.5684 13 V 3.7359 7.5211 117.8186 66.0842 31.5944 178.1071 14 I 3.7511 7.7224 119.0122 64.1073 36.4470 178.0909 15 L 4.0059 8.3782 121.7797 58.1319 41.8607 179.1271 16 S 4.2509 7.9469 114.1981 61.6187 62.9963 176.2398 17 F 4.0230 8.5292 123.5009 61.4871 39.0820 177.3924 18 V 3.7452 8.2706 117.7805 66.3048 31.3531 177.8455 19 M 3.9716 9.2533 119.1259 58.3669 31.5598 178.9137 20 V 3.4361 8.2848 118.2626 66.1177 31.7130 177.8999 21 I 3.9971 7.7428 118.7701 64.2774 36.9570 177.3084 22 G 3.6857 8.3709 108.2292 45.5253 0.0000 176.1405 23 V 3.0562 7.8198 118.9925 65.1972 32.1544 176.0716 24 P 4.1180 0.0000 0.0000 65.1364 30.8919 178.2399 25 V 3.5999 7.6769 113.4159 65.1787 31.6628 177.7171 26 A 4.0859 7.7098 120.6394 55.0100 18.1762 178.7458 27 Y 3.7395 7.5320 116.8186 60.4699 38.2024 177.2211 28 A 3.8410 8.1108 123.1222 54.6092 18.9685 177.4394 29 S 4.4983 7.8966 115.0918 56.3203 63.5896 174.5541 30 P 4.9959 0.0000 0.0000 63.1221 30.3340 178.1598 31 Q 4.1927 8.7198 115.3299 56.0016 28.8248 177.1107 32 D 4.8183 8.8514 125.9234 50.9410 40.9138 176.7401 33 W 4.1273 9.0448 111.6537 56.4273 28.6337 175.2086 34 D 4.8249 8.0348 117.9949 55.4466 40.6541 178.2353 35 R 4.0588 7.9221 116.0887 58.1147 30.3383 177.9421 36 S 4.3365 8.1206 112.1723 59.6753 62.5697 175.4790 37 K 4.4050 8.0989 121.6392 58.7313 31.9208 177.9577 38 Q 4.1808 7.7298 119.8658 59.1923 29.2427 177.1842 39 L 3.9954 7.8470 119.3947 57.9903 41.7826 179.1168 40 I 3.6418 8.3317 119.7961 64.6619 37.0675 178.0693 41 F 4.0737 7.8877 120.2601 61.5202 39.1025 177.2496 42 L 3.9078 8.2134 118.5493 57.3927 41.3146 179.7912 43 G 3.5447 8.1883 105.9498 47.8522 0.0000 175.8650 44 S 4.1465 8.4874 118.4852 61.1056 62.3739 176.7796 45 G 3.5146 7.7745 108.4346 47.8046 0.0000 174.8021 46 L 3.9438 8.0066 123.7333 57.6746 41.9571 178.4946 47 W 4.3439 8.5021 128.2425 60.9530 30.5107 177.6061 48 I 3.5870 7.8521 119.1250 64.4670 36.6097 178.1482 49 A 3.9521 7.6187 120.0986 55.1651 18.2385 179.3361 50 L 3.8244 7.7492 117.4459 58.1798 41.7547 180.0035 51 V 3.3411 7.4972 117.7889 66.0618 31.3751 178.0991 52 L 4.1305 7.9359 118.6532 57.4743 41.3544 179.6749 53 V 3.5930 8.2066 118.7646 66.1386 31.6026 178.2554 54 V 4.0402 8.3901 118.5115 66.4496 31.0801 177.4273 55 G 3.7274 8.4964 104.9727 48.0983 0.0000 175.2009 56 V 3.7983 8.4047 119.9532 65.1995 31.7318 178.3890 57 L 4.4310 8.6694 120.0125 57.5558 41.9003 178.4157 58 N 3.6008 8.0738 117.5271 56.4674 38.6988 176.3159 59 F 3.9175 7.4239 115.0599 58.9110 38.9052 176.2420 60 F 4.8300 7.4250 116.5114 57.9750 40.0210 177.5947 61 V 3.8506 7.3586 116.6115 64.7165 31.9074 175.8612 62 V 3.8896 7.1953 114.8275 61.3158 31.7214 175.5790 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 8.16 4.45 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 2 T 7.71 3.86 4.30 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 1.30 0.00 0.00 3 I 7.96 3.77 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.66 0.92 0.00 0.00 4 L 8.04 4.01 0.00 1.78 1.81 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.42 4.29 0.00 3.26 3.25 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 6 Q 8.74 3.64 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 7 L 8.29 3.89 0.00 1.79 1.68 0.92 0.64 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 8 A 7.68 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.56 3.66 0.00 0.94 1.22 0.80 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.99 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.74 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 3.87 0.00 1.73 1.82 0.58 0.55 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 13 V 7.52 3.74 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 1.15 0.00 0.00 0.99 0.00 0.00 14 I 7.72 3.75 1.87 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 1.51 0.77 0.82 0.00 0.00 15 L 8.38 4.01 0.00 1.82 1.81 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.95 4.25 0.00 4.29 4.02 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 0.00 0.00 0.00 0.00 17 F 8.53 4.02 0.00 3.25 3.14 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 0.00 18 V 8.27 3.75 2.32 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 1.00 0.00 0.00 0.99 0.00 0.00 19 M 9.25 3.97 0.00 1.88 2.19 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.75 0.00 20 V 8.28 3.44 2.10 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 0.67 0.00 0.00 0.82 0.00 0.00 21 I 7.74 4.00 1.92 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 0.92 0.00 0.00 22 G 8.37 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.82 3.06 1.85 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 0.52 0.00 0.00 0.74 0.00 0.00 24 P 0.00 4.12 0.00 2.11 1.89 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 25 V 7.68 3.60 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 1.02 0.00 0.00 0.95 0.00 0.00 26 A 7.71 4.09 1.05 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 27 Y 7.53 3.74 0.00 2.71 2.29 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 28 A 8.11 3.84 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 29 S 7.90 4.50 0.00 4.05 4.10 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 30 P 0.00 5.00 0.00 2.23 1.98 0.00 3.73 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.76 0.00 31 Q 8.72 4.19 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.07 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 32 D 8.85 4.82 0.00 3.15 2.68 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 0.00 0.00 0.00 0.00 33 W 9.04 4.13 0.00 3.46 3.42 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 34 D 8.03 4.82 0.00 2.70 2.86 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 35 R 7.92 4.06 0.00 2.04 2.23 0.00 2.98 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 36 S 8.12 4.34 0.00 4.12 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 37 K 8.10 4.40 0.00 2.34 2.11 0.00 2.00 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.69 7.81 38 Q 7.73 4.18 0.00 2.18 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 39 L 7.85 4.00 0.00 1.84 1.73 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.33 3.64 2.03 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 1.29 0.50 0.92 0.00 0.00 41 F 7.89 4.07 0.00 3.46 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 3.91 0.00 1.97 1.74 1.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.19 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.49 4.15 0.00 3.79 3.85 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 45 G 7.77 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 3.94 0.00 1.85 2.00 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 W 8.50 4.34 0.00 3.52 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.59 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.81 0.93 0.00 0.00 49 A 7.62 3.95 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 50 L 7.75 3.82 0.00 1.74 1.56 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.50 3.34 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 0.81 0.00 0.00 -0.13 0.00 0.00 52 L 7.94 4.13 0.00 1.89 1.70 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.21 3.59 2.27 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 1.02 0.00 0.00 0.98 0.00 0.00 54 V 8.39 4.04 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 1.08 0.00 0.00 0.89 0.00 0.00 55 G 8.50 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 56 V 8.40 3.80 2.17 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 1.10 0.00 0.00 1.01 0.00 0.00 57 L 8.67 4.43 0.00 2.11 1.98 1.17 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.07 3.60 0.00 2.68 2.85 0.00 0.00 7.03 7.50 0.00 0.00 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 F 7.42 3.92 0.00 2.73 2.78 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 0.00 60 F 7.43 4.83 0.00 3.09 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 61 V 7.36 3.85 1.52 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 0.85 0.00 0.00 0.38 0.00 0.00 62 V 7.20 3.89 1.92 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 0.64 0.00 0.00 0.74 0.00 0.00