NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4547 8.1633 118.3252 55.2413 33.5296 173.6441 2 Q 4.7223 8.2346 119.0333 52.9199 30.6911 173.3468 3 I 4.5052 8.8063 117.2327 58.9075 41.9904 173.8107 4 F 5.4886 8.6201 121.0775 55.7301 42.5686 174.7478 5 V 4.7199 9.1053 122.1651 61.1532 33.8147 174.1429 6 K 5.0265 8.9451 130.2466 55.3829 34.0844 175.4820 7 T 4.9410 8.5860 116.8271 59.6959 71.5620 175.3905 8 L 4.1376 8.7331 121.5713 56.8089 41.6369 177.9948 9 T 4.3384 7.7722 108.0483 61.1396 69.1761 175.4611 10 G 3.9712 8.2722 111.8978 45.0053 0.0000 174.1558 11 K 4.0913 7.5219 121.8591 56.8809 33.4081 175.6302 12 T 4.9768 8.4767 123.4053 62.0212 70.6385 173.4708 13 I 4.4933 8.9879 128.1435 60.1026 39.6206 174.8108 14 T 5.1721 8.5321 122.3655 61.9980 70.3671 173.8333 15 L 4.8376 8.9986 125.9313 52.7801 45.8213 175.0162 16 E 4.9069 8.6552 121.8734 54.8061 31.0865 175.1926 17 V 4.7399 8.7037 119.5139 59.9223 36.5593 174.3977 18 E 4.7888 9.1149 120.3091 53.9143 32.7973 176.2268 19 P 4.2906 0.0000 0.0000 65.2082 31.6091 178.6356 20 S 4.3790 7.8709 111.1161 59.3939 63.8742 174.3543 21 D 4.3457 7.8164 122.2555 54.9789 41.0393 176.7319 22 T 4.7547 8.2348 113.9064 61.1658 71.2191 175.8969 23 I 3.7144 8.3312 121.6419 64.4078 37.0304 178.1563 24 E 3.8896 8.0180 119.7661 59.6025 29.0845 178.5217 25 N 4.3238 8.2713 116.8401 56.5776 38.9552 177.0911 26 V 3.5967 7.5184 119.9431 65.7432 31.5594 178.0550 27 K 4.2754 8.6311 119.7309 58.7868 31.7654 179.0917 28 A 3.9668 8.0395 120.9364 55.2142 18.3402 179.8182 29 K 3.8907 7.7653 116.7353 59.7296 31.9698 179.6774 30 I 3.7987 7.8827 120.1781 64.1904 36.9754 178.2190 31 Q 4.1260 8.2921 120.8258 59.2444 28.6256 178.0097 32 D 4.3729 8.1709 119.6713 57.0162 40.8823 178.4590 33 K 4.2171 7.9471 118.2698 58.2990 32.4414 177.6418 34 E 4.5243 8.2610 115.0568 54.9313 31.1087 175.9995 35 G 3.8216 8.0652 106.7537 46.6799 0.0000 173.7571 36 I 4.3183 7.6980 120.4191 58.2122 38.5827 174.3139 37 P 4.3351 0.0000 0.0000 62.1886 32.0343 175.7500 38 P 4.2592 0.0000 0.0000 65.6459 31.4215 178.1511 39 D 4.5066 8.0250 115.7779 55.3068 39.7548 176.6835 40 Q 4.4684 8.2043 118.5976 56.1612 29.3749 174.5112 41 Q 4.9469 7.8508 118.6821 54.1087 31.4312 174.6686 42 R 4.6875 9.1168 122.9938 54.3262 33.2121 174.6305 43 L 5.1913 8.5109 123.4885 53.0623 44.3712 175.2364 44 I 5.0113 9.0297 124.9897 59.5556 40.1960 174.6321 45 F 4.9962 9.2314 128.0617 57.0991 43.0228 174.2046 46 A 3.4306 9.0227 128.7629 53.1174 15.8030 177.8227 47 G 3.9854 8.2955 108.5821 45.8343 0.0000 173.9646 48 K 4.5857 7.8922 119.4242 54.5023 34.3365 174.7118 49 Q 4.7570 8.4289 123.4422 55.2948 29.9473 174.8785 50 L 4.2258 8.5853 127.2801 53.9980 43.0698 176.0557 51 E 4.4564 9.6006 123.5189 55.2437 30.7364 177.1667 52 D 4.5050 9.2387 124.5230 57.6546 41.3549 179.5179 53 G 3.5432 8.1924 106.8122 48.4852 0.0000 174.2544 54 R 4.1879 7.8291 118.9736 56.2580 30.6227 175.7344 55 T 4.9185 8.4500 109.4778 59.5640 71.3388 175.6513 56 L 3.9553 8.6246 122.0476 57.8624 42.1004 180.4131 57 S 4.1515 8.1971 113.2361 61.2639 63.2175 176.0143 58 D 4.4324 7.7555 119.9730 56.8496 40.5468 177.0606 59 Y 4.5343 7.3924 113.2896 56.8867 38.4236 175.0405 60 N 4.1442 8.3062 116.9217 54.1274 36.8446 174.9361 61 I 3.8774 7.7535 118.2374 60.5873 37.8329 175.8208 62 Q 4.6859 8.1678 124.3895 52.8075 32.1874 174.7549 63 K 3.9635 8.4124 117.1310 59.1216 32.3289 176.9279 64 E 3.5764 9.2449 119.7842 56.4656 28.2257 174.9355 65 S 4.3426 7.8375 116.1297 59.5832 64.1266 173.5489 66 T 5.0474 8.7192 120.5218 62.1780 69.5991 174.3224 67 L 4.8021 8.8601 127.3247 54.3909 43.9833 175.5033 68 H 5.2582 9.5676 118.8895 54.0787 31.4497 173.2533 69 L 5.0202 8.8356 125.8358 53.5470 43.3855 175.4786 70 V 4.4427 8.8773 127.1950 61.0588 33.8834 174.4422 71 L 4.8754 8.7156 130.1956 54.7986 42.8992 177.6124 72 R 4.3293 8.5214 122.4404 56.9549 29.6815 174.2085 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 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 2 Q 8.23 4.72 0.00 1.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 3 I 8.81 4.51 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.16 0.72 0.00 0.00 4 F 8.62 5.49 0.00 2.98 2.88 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 0.00 0.00 0.00 0.00 5 V 9.11 4.72 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 0.86 0.00 0.00 0.93 0.00 0.00 6 K 8.95 5.03 0.00 1.82 1.53 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.37 7.81 7 T 8.59 4.94 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 1.27 0.00 0.00 8 L 8.73 4.14 0.00 1.65 1.78 0.93 0.83 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 9 T 7.77 4.34 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 8.27 3.97 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 0.00 0.00 0.00 11 K 7.52 4.09 0.00 1.81 1.70 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 T 8.48 4.98 4.18 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 0.00 0.00 0.00 1.13 0.00 0.00 13 I 8.99 4.49 1.90 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 0.65 0.93 0.00 0.00 14 T 8.53 5.17 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 1.36 0.00 0.00 15 L 9.00 4.84 0.00 1.45 1.47 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.66 4.91 0.00 1.90 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 2.16 2.33 0.00 17 V 8.70 4.74 2.12 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 0.68 0.00 0.00 0.89 0.00 0.00 18 E 9.11 4.79 0.00 1.82 1.78 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 2.18 2.37 0.00 19 P 0.00 4.29 0.00 2.16 2.08 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 20 S 7.87 4.38 0.00 3.96 3.97 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 21 D 7.82 4.35 0.00 2.83 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 22 T 8.23 4.75 4.52 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 0.00 0.00 0.00 1.22 0.00 0.00 23 I 8.33 3.71 2.02 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 1.80 1.09 0.88 0.00 0.00 24 E 8.02 3.89 0.00 2.18 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 2.49 2.49 0.00 25 N 8.27 4.32 0.00 2.88 3.08 0.00 0.00 6.87 7.33 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 26 V 7.52 3.60 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 0.93 0.00 0.00 0.92 0.00 0.00 27 K 8.63 4.28 0.00 1.99 1.85 0.00 1.82 0.00 0.00 1.94 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.43 7.81 28 A 8.04 3.97 1.37 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 0.00 0.00 0.00 29 K 7.77 3.89 0.00 1.92 1.86 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.67 7.81 30 I 7.88 3.80 2.14 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 1.40 0.85 0.95 0.00 0.00 31 Q 8.29 4.13 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 32 D 8.17 4.37 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.22 0.00 1.90 1.86 0.00 1.53 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.52 7.81 34 E 8.26 4.52 0.00 1.98 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 2.22 2.36 0.00 35 G 8.07 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 0.00 0.00 0.00 36 I 7.70 4.32 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 0.94 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.17 1.98 0.00 3.61 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.12 0.00 38 P 0.00 4.26 0.00 2.17 2.20 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.02 4.51 0.00 2.78 2.80 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 0.00 0.00 0.00 40 Q 8.20 4.47 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 41 Q 7.85 4.95 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 42 R 9.12 4.69 0.00 1.91 1.81 0.00 3.04 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 43 L 8.51 5.19 0.00 1.52 1.52 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.03 5.01 1.91 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 1.27 1.21 0.99 0.00 0.00 45 F 9.23 5.00 0.00 2.93 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 9.02 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.30 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 48 K 7.89 4.59 0.00 1.89 1.78 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.60 7.81 49 Q 8.43 4.76 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 50 L 8.59 4.23 0.00 1.37 1.10 0.64 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.60 4.46 0.00 2.03 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 2.35 2.40 0.00 52 D 9.24 4.51 0.00 2.75 2.76 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 53 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 54 R 7.83 4.19 0.00 2.25 1.82 0.00 3.28 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 55 T 8.45 4.92 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 56 L 8.62 3.96 0.00 1.89 1.71 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.20 4.15 0.00 4.03 4.21 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 0.00 0.00 0.00 0.00 58 D 7.76 4.43 0.00 2.63 2.43 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 0.00 0.00 0.00 0.00 59 Y 7.39 4.53 0.00 3.02 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 60 N 8.31 4.14 0.00 2.84 2.93 0.00 0.00 6.91 7.36 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 61 I 7.75 3.88 1.80 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.24 0.51 0.00 0.00 62 Q 8.17 4.69 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 63 K 8.41 3.96 0.00 1.78 1.80 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.55 7.81 64 E 9.24 3.58 0.00 2.17 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 0.00 2.33 2.27 0.00 65 S 7.84 4.34 0.00 3.62 3.64 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 T 8.72 5.05 4.38 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 1.18 0.00 0.00 67 L 8.86 4.80 0.00 1.59 1.59 0.80 0.75 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 68 H 9.57 5.26 0.00 3.11 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.84 5.02 0.00 1.61 1.58 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.88 4.44 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 0.94 0.00 0.00 0.94 0.00 0.00 71 L 8.72 4.88 0.00 1.57 1.58 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.52 4.33 0.00 1.56 1.65 0.00 3.30 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00