NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5432 8.1633 118.3409 55.4404 33.6980 173.7267 2 E 4.8932 7.9707 117.3949 55.4949 33.0270 173.2845 3 C 5.3595 8.9959 118.4709 55.4496 45.3103 171.7284 4 Y 5.0517 8.5687 120.6170 56.4729 40.3834 175.6784 5 R 4.4634 8.5061 124.3639 55.0460 32.6575 174.2471 6 C 5.1207 8.4228 118.5709 54.6877 44.3041 174.1266 7 G 3.8516 9.5476 117.6466 44.6321 0.0000 173.9401 8 V 3.8552 8.1611 117.8256 63.8853 31.2700 176.7046 9 S 4.5703 7.8060 109.6575 57.6963 65.9260 173.5278 10 G 4.2859 7.8794 108.6862 44.5241 0.0000 173.9820 11 C 5.1651 8.6505 117.7741 56.7614 41.9148 174.0086 12 H 5.0647 8.0324 113.4821 55.1878 28.4874 173.5475 13 L 4.4172 7.3981 118.4142 52.9165 44.0504 177.2107 14 K 4.7235 8.3054 123.2246 55.5809 33.9293 175.5616 15 I 4.4875 8.4573 125.1747 59.3141 41.5682 173.9865 16 T 4.8989 8.2225 120.9256 61.8299 70.2957 175.0287 17 C 4.6361 8.9217 124.8222 56.4754 38.9381 174.0555 18 S 4.4400 8.5997 116.3134 57.0673 63.0973 174.5451 19 A 4.0476 8.6358 125.8586 55.3456 18.1920 179.0123 20 E 4.0227 8.1392 116.2049 58.6122 29.8130 176.6156 21 E 4.6441 7.9611 116.3600 55.0220 30.8558 175.1383 22 T 4.7381 8.6767 115.8257 61.4583 69.2518 172.8760 23 F 4.9853 8.6874 119.0649 56.4978 42.2497 174.4299 24 C 5.4951 9.0189 119.1376 55.6037 38.0040 172.2081 25 Y 5.4269 8.8164 123.4846 55.0846 40.2624 175.0405 26 K 4.2831 9.0806 122.3155 54.9437 35.0183 174.5033 27 W 5.1810 8.9378 135.0000 55.7558 33.2765 174.5015 28 L 4.1084 7.4224 126.8662 52.7878 45.4072 174.2879 29 N 4.5841 7.3190 124.3356 51.5333 40.7360 174.6150 30 K 4.0833 8.6554 125.2116 57.2963 32.2475 177.3456 31 I 4.1243 7.5989 119.6279 62.8406 38.2808 176.6896 32 S 4.3606 7.8034 111.9511 57.3610 62.5490 173.7406 33 N 4.7643 7.8228 114.3494 53.9756 37.5184 172.9881 34 E 4.2423 7.3926 114.8495 55.6129 30.9569 175.8023 35 R 4.5915 8.4044 122.3423 54.2875 32.9374 176.5341 36 W 5.1610 9.6704 126.4901 55.3958 28.0532 174.1782 37 L 4.6520 8.4666 121.4930 51.9415 43.6270 176.7399 38 G 3.8441 6.6169 107.7483 46.9130 0.0000 169.8825 39 C 5.7428 8.5869 116.6628 55.7184 39.2805 173.4196 40 A 5.0259 9.0129 123.3224 50.2254 22.4136 177.0864 41 K 4.1505 8.7241 117.5704 58.3788 33.8650 177.0709 42 T 3.8687 7.1194 109.7171 60.4354 70.3336 172.8257 43 C 5.1205 8.4625 120.0828 55.6610 46.3963 174.5370 44 T 4.5541 8.1435 119.9516 62.0336 67.7803 172.7356 45 E 3.9986 8.1824 118.4494 55.8297 30.4946 177.3392 46 I 4.6770 8.6090 126.0508 59.8474 38.3926 172.8503 47 D 5.4833 8.3306 124.0745 51.6868 39.1859 178.3798 48 T 4.7833 8.5718 124.0004 62.2218 68.9539 176.7832 49 W 4.7146 8.7151 114.3819 57.1177 29.5432 176.7731 50 N 4.7386 6.9713 114.3692 52.1848 39.6877 174.4561 51 V 4.4910 7.7206 120.3091 61.5590 33.9873 174.5545 52 Y 5.2262 8.7091 128.1170 56.2734 41.3636 172.4148 53 N 5.4696 9.2249 125.6344 51.4532 42.0568 173.0544 54 K 4.9904 8.7174 126.4117 55.0150 35.5837 174.1255 55 C 5.6100 9.0547 124.1816 55.9149 43.6620 173.5791 56 C 5.2034 8.9354 118.2768 55.6380 44.3905 174.8053 57 T 3.6814 8.4239 108.9849 61.2769 69.5013 174.1698 58 T 4.4660 7.3297 112.2697 59.4318 70.8132 173.7276 59 N 3.9988 9.0329 121.9514 55.2226 39.8887 175.1096 60 L 3.6147 7.8775 120.9162 56.3498 38.8796 174.4553 61 C 4.6509 7.6541 114.9374 56.0930 44.4502 173.2815 62 N 4.6938 7.8459 118.0940 52.2997 39.5403 173.7845 63 T 3.9547 8.2023 114.5861 61.4494 68.9547 174.3081 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 4.54 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 2 E 7.97 4.89 0.00 2.14 1.94 0.00 0.00 0.00 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 2.56 0.00 3 C 9.00 5.36 0.00 2.86 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 4 Y 8.57 5.05 0.00 2.86 2.84 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 5 R 8.51 4.46 0.00 1.89 2.00 0.00 2.72 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 6 C 8.42 5.12 0.00 2.93 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 7 G 9.55 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 0.00 0.00 0.00 8 V 8.16 3.86 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 0.71 0.00 0.00 0.93 0.00 0.00 9 S 7.81 4.57 0.00 3.83 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 10 G 7.88 4.29 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 0.00 11 C 8.65 5.17 0.00 2.92 3.02 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 12 H 8.03 5.06 0.00 2.98 3.33 0.00 5.88 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.40 4.42 0.00 1.55 1.40 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.31 4.72 0.00 1.76 1.88 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.35 7.81 15 I 8.46 4.49 1.84 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 1.24 1.44 0.91 0.00 0.00 16 T 8.22 4.90 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 1.23 0.00 0.00 17 C 8.92 4.64 0.00 3.14 3.06 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 0.00 18 S 8.60 4.44 0.00 3.87 3.92 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 0.00 0.00 0.00 0.00 19 A 8.64 4.05 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 20 E 8.14 4.02 0.00 1.90 1.99 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 2.31 2.24 0.00 21 E 7.96 4.64 0.00 2.20 1.96 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 2.47 2.27 0.00 22 T 8.68 4.74 4.33 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 1.34 0.00 0.00 23 F 8.69 4.99 0.00 3.29 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.02 5.50 0.00 2.84 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 5.43 0.00 3.12 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 26 K 9.08 4.28 0.00 1.69 2.02 0.00 1.27 0.00 0.00 1.36 0.00 0.00 2.67 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.27 1.58 7.81 27 W 8.94 5.18 0.00 3.91 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 28 L 7.42 4.11 0.00 1.39 1.08 0.57 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.32 4.58 0.00 1.77 2.32 0.00 0.00 7.05 6.43 0.00 0.00 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 K 8.66 4.08 0.00 1.69 1.74 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.32 7.81 31 I 7.60 4.12 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.61 0.93 0.00 0.00 32 S 7.80 4.36 0.00 3.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 4.76 0.00 2.76 2.75 0.00 0.00 7.34 7.59 0.00 0.00 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 E 7.39 4.24 0.00 2.01 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 0.00 2.23 2.23 0.00 35 R 8.40 4.59 0.00 1.61 1.78 0.00 3.12 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.57 0.00 36 W 9.67 5.16 0.00 3.91 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.47 4.65 0.00 1.47 1.69 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 G 6.62 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 39 C 8.59 5.74 0.00 2.95 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 40 A 9.01 5.03 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.72 4.15 0.00 1.75 2.02 0.00 1.46 0.00 0.00 1.88 0.00 0.00 2.83 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.31 1.32 7.81 42 T 7.12 3.87 4.04 0.00 0.00 0.00 0.00 0.00 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 43 C 8.46 5.12 0.00 3.16 3.02 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 44 T 8.14 4.55 4.03 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 1.06 0.00 0.00 45 E 8.18 4.00 0.00 2.06 1.95 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 2.57 2.45 0.00 46 I 8.61 4.68 2.22 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.24 1.08 0.00 0.00 47 D 8.33 5.48 0.00 2.86 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 48 T 8.57 4.78 4.40 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 1.31 0.00 0.00 49 W 8.72 4.71 0.00 3.64 3.24 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 0.00 50 N 6.97 4.74 0.00 2.25 2.58 0.00 0.00 5.19 5.54 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 51 V 7.72 4.49 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 1.57 0.00 0.00 1.17 0.00 0.00 52 Y 8.71 5.23 0.00 2.92 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 53 N 9.22 5.47 0.00 3.42 2.95 0.00 0.00 6.64 5.46 0.00 0.00 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 K 8.72 4.99 0.00 2.10 1.61 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.68 7.81 55 C 9.05 5.61 0.00 3.06 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 56 C 8.94 5.20 0.00 2.86 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 57 T 8.42 3.68 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 58 T 7.33 4.47 4.20 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 1.15 0.00 0.00 59 N 9.03 4.00 0.00 2.68 2.80 0.00 0.00 7.26 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 60 L 7.88 3.61 0.00 1.75 1.95 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 61 C 7.65 4.65 0.00 3.20 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 62 N 7.85 4.69 0.00 2.62 2.66 0.00 0.00 6.98 7.79 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 63 T 8.20 3.95 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00