NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4752 8.1633 118.3249 55.3924 33.6692 173.3668 2 Q 4.9014 8.2123 117.3054 52.2817 31.5735 173.5303 3 I 4.5094 8.9601 116.8652 59.0112 42.1286 173.6571 4 F 5.4864 8.8758 120.8727 55.7402 42.4580 174.9791 5 V 4.8123 8.8089 121.3076 60.9186 34.5839 174.3680 6 K 4.6119 9.1020 130.9912 56.4509 33.2240 176.8982 7 T 4.8076 8.7128 119.8216 60.4298 70.9122 175.1323 8 L 4.1764 8.3753 120.1201 57.2782 41.7216 178.1031 9 T 4.1532 7.4823 107.0201 61.8686 69.3020 175.8775 10 G 3.9504 8.0483 111.1521 44.7020 0.0000 173.6536 11 K 4.3774 7.7882 119.1789 56.9741 34.4768 175.8777 12 T 5.2006 8.3262 116.6360 61.7153 71.1238 173.8422 13 I 4.6468 8.8425 119.3996 59.5321 41.0906 174.2415 14 T 5.0954 8.4692 119.1172 61.9356 70.6016 173.8847 15 L 4.8009 8.7418 125.6899 52.9395 45.1712 175.2059 16 E 4.8586 8.6071 121.6755 55.5438 30.4635 175.9257 17 V 4.6975 8.6058 117.0361 59.8594 36.4110 174.4283 18 E 4.8247 9.4478 121.2944 53.7507 32.1733 175.9872 19 P 4.2891 0.0000 0.0000 65.6240 31.3408 177.7832 20 S 4.5291 7.8142 112.3826 57.9715 63.1841 173.7138 21 D 4.4329 8.2247 122.7643 54.7072 41.2370 176.5819 22 T 4.6536 8.2487 113.6181 61.3717 71.1470 175.7819 23 I 3.7203 8.6437 123.7747 64.6695 37.1244 178.5047 24 E 3.9630 8.4136 119.4679 59.6917 29.3607 179.2794 25 N 4.3467 8.0612 116.2931 56.2486 38.5995 177.6657 26 V 3.5694 7.7898 119.6548 65.9492 31.6191 178.1794 27 K 4.1934 8.5508 119.4628 58.7902 31.9605 178.9715 28 A 3.9931 8.0946 120.9841 55.3629 18.1618 179.9222 29 K 3.9862 8.0237 116.6991 59.6259 32.0775 179.7573 30 I 3.7673 7.8667 120.2577 64.1291 36.8991 178.2634 31 Q 4.0767 8.1181 120.7045 59.3299 28.6859 177.9669 32 D 4.3890 7.7561 118.4205 56.9697 40.8521 178.4261 33 K 4.1147 7.5870 119.3544 58.9859 32.5496 177.9782 34 E 4.5066 8.7047 116.2385 55.3356 30.3079 177.0550 35 G 3.8422 8.1134 106.6725 46.0428 0.0000 173.0720 36 I 4.2574 7.5303 120.2441 58.5745 38.1140 174.1695 37 P 4.4156 0.0000 0.0000 61.9592 32.0460 175.9112 38 P 4.2635 0.0000 0.0000 65.6185 31.5342 178.6089 39 D 4.4137 8.1614 117.0030 56.9262 40.9918 176.8035 40 Q 4.7760 8.1996 116.4659 54.9445 29.7821 174.9422 41 Q 4.9257 8.0558 119.8604 54.0751 31.3619 174.5230 42 R 4.7146 8.9425 123.8562 54.4510 33.2886 174.2936 43 L 5.2645 8.4304 124.2041 52.9847 45.4591 175.2070 44 I 4.9965 8.9198 123.9347 59.4602 40.6521 174.3571 45 F 5.1045 9.0341 128.3544 56.6700 42.5998 174.5245 46 A 3.4114 9.2611 129.0511 53.1508 15.6839 178.1355 47 G 3.9348 8.4677 108.7316 46.2802 0.0000 174.2860 48 K 4.5837 7.7015 119.0058 54.6984 34.9640 174.9474 49 Q 4.6349 8.4087 121.8131 55.9254 29.8300 174.7605 50 L 4.4258 8.4916 126.7933 53.1285 43.4415 175.6629 51 E 4.5939 9.3702 122.1461 54.7938 31.3914 176.7794 52 D 4.3698 9.1370 123.0168 57.5138 41.0640 178.6975 53 G 3.7800 7.9563 105.0536 46.5996 0.0000 173.7442 54 R 4.5490 8.1281 120.0513 55.8781 31.5648 175.7393 55 T 4.9003 9.0923 111.2650 60.1296 71.4054 175.5054 56 L 3.9816 8.8434 122.8195 58.4264 42.2889 180.1004 57 S 4.0480 8.3125 113.2043 61.3785 62.6114 175.5462 58 D 4.2617 7.9449 119.1569 57.4893 40.5271 177.3411 59 Y 4.6160 7.4328 112.1756 56.8970 37.9796 174.8109 60 N 4.0926 7.9379 117.0246 54.4422 37.9608 174.6403 61 I 3.5652 7.6436 118.0229 60.4747 36.7718 175.9971 62 Q 4.5086 8.1530 125.3019 53.2396 30.8849 175.4710 63 K 4.1722 8.2943 117.7532 58.7354 32.6278 176.6196 64 E 3.6121 8.9735 119.3211 57.0170 28.0243 175.0158 65 S 4.5245 7.8289 115.7785 59.3373 64.1752 173.2707 66 T 5.2127 8.7583 119.3765 62.1082 70.1957 173.9206 67 L 5.0161 9.1337 126.7398 53.7428 44.5984 175.0242 68 H 5.0820 9.2297 119.2895 54.0718 31.1283 173.4181 69 L 4.9114 8.6638 126.0959 54.1137 43.0434 175.8865 70 V 4.5556 8.6887 125.4469 60.8064 35.2590 173.9753 71 L 4.5545 8.5556 128.5208 54.8101 42.6596 175.8227 72 R 4.4917 9.0786 127.4944 54.8885 31.5277 174.5018 73 L 4.8001 8.4647 126.5443 52.9965 43.7561 176.5909 74 R 4.5045 8.4472 121.3611 55.1684 32.7360 176.4962 75 G 3.9939 9.5546 107.1115 45.5839 0.0000 173.9532 76 G 3.7559 7.4255 112.5231 46.4239 0.0000 172.9953 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 4.48 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 2 Q 8.21 4.90 0.00 1.85 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 3 I 8.96 4.51 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.13 0.79 0.00 0.00 4 F 8.88 5.49 0.00 3.07 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.81 4.81 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 6 K 9.10 4.61 0.00 1.77 1.57 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.38 7.81 7 T 8.71 4.81 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 1.28 0.00 0.00 8 L 8.38 4.18 0.00 1.67 1.77 0.93 0.88 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 9 T 7.48 4.15 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 1.21 0.00 0.00 10 G 8.05 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 0.00 0.00 0.00 11 K 7.79 4.38 0.00 1.89 1.97 0.00 1.26 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.43 7.81 12 T 8.33 5.20 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 1.18 0.00 0.00 13 I 8.84 4.65 1.90 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 1.37 1.19 0.96 0.00 0.00 14 T 8.47 5.10 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 1.21 0.00 0.00 15 L 8.74 4.80 0.00 1.48 1.49 0.90 0.83 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 16 E 8.61 4.86 0.00 1.81 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 0.00 2.23 2.25 0.00 17 V 8.61 4.70 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 0.63 0.00 0.00 0.85 0.00 0.00 18 E 9.45 4.82 0.00 1.82 1.79 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 2.20 2.19 0.00 19 P 0.00 4.29 0.00 2.19 2.30 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 20 S 7.81 4.53 0.00 3.86 3.90 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 21 D 8.22 4.43 0.00 2.78 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 22 T 8.25 4.65 4.42 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 1.21 0.00 0.00 23 I 8.64 3.72 2.19 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 1.90 0.96 0.92 0.00 0.00 24 E 8.41 3.96 0.00 2.01 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 0.00 2.34 2.43 0.00 25 N 8.06 4.35 0.00 2.97 2.85 0.00 0.00 6.68 7.76 0.00 0.00 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 V 7.79 3.57 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 1.01 0.00 0.00 0.93 0.00 0.00 27 K 8.55 4.19 0.00 2.02 1.85 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.48 7.81 28 A 8.09 3.99 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 K 8.02 3.99 0.00 2.01 1.86 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.60 7.81 30 I 7.87 3.77 2.13 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.95 0.00 0.00 31 Q 8.12 4.08 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 32 D 7.76 4.39 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.59 4.11 0.00 1.68 1.83 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 34 E 8.70 4.51 0.00 2.05 1.98 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 2.35 2.45 0.00 35 G 8.11 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 36 I 7.53 4.26 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.91 0.91 0.00 0.00 37 P 0.00 4.42 0.00 2.17 1.97 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.26 0.00 2.18 2.10 0.00 3.60 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 2.11 2.11 0.00 39 D 8.16 4.41 0.00 2.67 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 40 Q 8.20 4.78 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 41 Q 8.06 4.93 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 42 R 8.94 4.71 0.00 1.85 1.91 0.00 3.03 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 43 L 8.43 5.26 0.00 1.57 1.48 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.92 5.00 1.91 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 1.13 0.99 0.93 0.00 0.00 45 F 9.03 5.10 0.00 2.89 2.73 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 46 A 9.26 3.41 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 3.93 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 0.00 0.00 0.00 48 K 7.70 4.58 0.00 1.92 1.90 0.00 1.47 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.61 1.31 7.81 49 Q 8.41 4.63 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.49 4.43 0.00 1.43 1.27 0.74 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.37 4.59 0.00 2.08 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 2.41 2.51 0.00 52 D 9.14 4.37 0.00 2.78 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 53 G 7.96 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 0.00 0.00 0.00 0.00 54 R 8.13 4.55 0.00 2.00 1.70 0.00 3.19 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 55 T 9.09 4.90 4.32 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 1.23 0.00 0.00 56 L 8.84 3.98 0.00 1.76 1.71 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.31 4.05 0.00 4.05 3.82 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 58 D 7.94 4.26 0.00 2.51 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 0.00 0.00 0.00 0.00 59 Y 7.43 4.62 0.00 2.94 2.97 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 0.00 0.00 0.00 60 N 7.94 4.09 0.00 2.91 2.99 0.00 0.00 7.12 7.26 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 61 I 7.64 3.57 1.65 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 -0.30 0.02 0.56 0.00 0.00 62 Q 8.15 4.51 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 63 K 8.29 4.17 0.00 1.80 1.79 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.48 7.81 64 E 8.97 3.61 0.00 2.20 2.39 0.00 0.00 0.00 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 2.28 0.00 65 S 7.83 4.52 0.00 3.67 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 0.00 66 T 8.76 5.21 4.37 0.00 0.00 0.00 0.00 0.00 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 67 L 9.13 5.02 0.00 1.57 1.60 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.23 5.08 0.00 3.04 3.22 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 69 L 8.66 4.91 0.00 1.64 1.75 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.69 4.56 2.09 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 0.98 0.00 0.00 0.95 0.00 0.00 71 L 8.56 4.55 0.00 1.70 1.55 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.08 4.49 0.00 1.88 1.79 0.00 3.29 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 73 L 8.46 4.80 0.00 1.65 1.56 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.45 4.50 0.00 1.85 1.83 0.00 3.15 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 75 G 9.55 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 76 G 7.43 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00