NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 4.4678 8.2893 120.3245 54.3153 33.4375 175.1202 8 P 4.2631 0.0000 0.0000 60.9095 32.1536 174.0995 9 Q 4.6199 8.5404 118.2193 54.3471 31.7569 176.0855 10 V 4.1562 8.0156 118.9325 60.9754 33.4147 174.8845 11 N 4.4914 8.6270 126.2947 52.7007 37.9548 174.0465 12 L 4.1443 7.8644 125.4102 54.0590 42.6844 177.9315 13 R 4.3416 7.8786 120.3015 54.8201 31.8524 174.3155 14 W 5.2088 8.1331 121.3750 53.5306 33.0266 173.9488 15 P 4.4220 0.0000 0.0000 63.4141 31.3602 178.3179 16 R 3.8434 8.6351 123.2751 59.1441 30.1707 178.0340 17 E 4.0029 8.3899 118.1364 59.8454 29.4046 179.7625 18 V 3.6448 8.0669 117.9106 66.0199 31.4997 177.5836 19 L 4.1117 8.0480 118.2589 58.0623 41.5373 178.7026 20 D 4.4130 9.0264 118.8545 57.6116 40.8499 178.9464 21 L 3.9333 7.9364 120.3890 58.2641 42.1089 179.0452 22 V 3.5937 8.0980 118.1595 66.2442 31.6402 177.6581 23 R 3.9347 8.2988 118.6057 59.5212 29.7882 178.3351 24 K 3.9327 8.2054 119.0877 59.5976 32.0051 178.9958 25 V 3.6044 8.0724 118.4731 65.8989 31.4051 177.7367 26 A 4.3584 8.4722 122.2837 54.5409 18.2885 179.4193 27 E 3.9044 7.9868 116.8343 59.5342 29.5018 179.1290 28 E 4.2585 7.9906 114.4127 57.8444 29.8271 177.3206 29 N 4.8847 7.6576 115.0217 52.2639 39.5875 175.2259 30 G 3.8806 7.9102 108.0980 45.9449 0.0000 173.5186 31 R 4.6421 7.6381 117.7998 53.8970 33.0063 176.1916 32 S 4.5853 8.1108 113.9340 57.3288 65.7170 174.9888 33 V 3.5434 8.3546 123.6364 66.5246 31.0891 177.4871 34 N 4.1789 8.2668 115.8509 57.4054 38.5699 176.7740 35 S 4.1582 8.0591 115.7815 61.1987 62.4783 176.5146 36 E 3.9503 8.5893 122.7146 59.4867 29.4642 178.8850 37 I 3.8585 8.2614 120.3017 64.4199 37.0632 177.7327 38 Y 4.0548 8.3293 120.5259 60.8502 38.5769 178.0378 39 Q 4.0055 8.4869 119.1368 59.2294 28.9094 178.8478 40 R 3.8563 8.1829 118.9214 59.6511 30.2208 179.0762 41 V 3.3332 7.6991 118.7346 65.6710 31.4464 178.0279 42 M 4.0120 7.8581 118.2826 58.2571 31.6545 178.6319 43 E 3.9574 8.2834 119.1627 59.4004 29.2095 179.4871 44 S 4.1105 7.9426 114.2669 61.5159 62.8426 176.5964 45 F 4.6784 7.9949 121.3437 60.4180 38.7088 177.6544 46 K 4.1956 8.4237 117.4013 58.3384 31.5485 178.3391 47 K 4.6355 7.5359 117.7054 56.3159 32.1172 176.6516 48 E 4.6286 8.3469 117.8806 59.2656 35.6137 175.6879 49 G 3.7680 8.0149 110.8655 45.4705 0.0000 173.4516 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 7 M 8.29 4.47 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 8 P 0.00 4.26 0.00 2.24 2.05 0.00 3.48 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 9 Q 8.54 4.62 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 10 V 8.02 4.16 2.06 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 0.81 0.00 0.00 0.94 0.00 0.00 11 N 8.63 4.49 0.00 2.69 2.72 0.00 0.00 7.23 7.78 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 12 L 7.86 4.14 0.00 1.25 0.86 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.88 4.34 0.00 1.77 1.85 0.00 3.15 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 14 W 8.13 5.21 0.00 3.30 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 15 P 0.00 4.42 0.00 2.21 2.02 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 16 R 8.64 3.84 0.00 1.89 1.99 0.00 3.17 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 17 E 8.39 4.00 0.00 2.06 2.03 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 2.41 2.46 0.00 18 V 8.07 3.64 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.88 0.00 0.00 19 L 8.05 4.11 0.00 1.99 1.73 0.98 1.18 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 20 D 9.03 4.41 0.00 2.76 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 21 L 7.94 3.93 0.00 1.98 1.92 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.10 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 0.92 0.00 0.00 1.14 0.00 0.00 23 R 8.30 3.93 0.00 1.91 2.11 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 24 K 8.21 3.93 0.00 1.89 1.98 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 V 8.07 3.60 2.22 0.00 0.00 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 0.98 0.00 0.00 26 A 8.47 4.36 1.46 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 0.00 0.00 27 E 7.99 3.90 0.00 2.29 2.01 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 2.34 2.42 0.00 28 E 7.99 4.26 0.00 2.15 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 0.00 2.55 2.35 0.00 29 N 7.66 4.88 0.00 2.94 2.88 0.00 0.00 6.96 7.53 0.00 0.00 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 G 7.91 3.88 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 0.00 0.00 0.00 31 R 7.64 4.64 0.00 1.98 1.86 0.00 3.19 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 32 S 8.11 4.59 0.00 4.03 3.96 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 33 V 8.35 3.54 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 1.00 0.00 0.00 0.93 0.00 0.00 34 N 8.27 4.18 0.00 2.84 2.80 0.00 0.00 7.14 7.63 0.00 0.00 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 S 8.06 4.16 0.00 4.06 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 36 E 8.59 3.95 0.00 2.18 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 0.00 2.34 2.43 0.00 37 I 8.26 3.86 2.06 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.62 1.03 0.00 0.00 38 Y 8.33 4.05 0.00 3.15 3.11 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 0.00 0.00 0.00 0.00 39 Q 8.49 4.01 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.49 0.00 0.00 0.00 0.00 0.00 2.80 2.62 0.00 40 R 8.18 3.86 0.00 2.01 1.96 0.00 3.35 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 41 V 7.70 3.33 1.84 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 0.57 0.00 0.00 0.93 0.00 0.00 42 M 7.86 4.01 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 43 E 8.28 3.96 0.00 2.09 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 2.56 2.45 0.00 44 S 7.94 4.11 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.99 4.68 0.00 3.21 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 46 K 8.42 4.20 0.00 1.80 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.74 1.65 7.81 47 K 7.54 4.64 0.00 1.88 1.82 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.72 7.81 48 E 8.35 4.63 0.00 2.08 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 2.27 2.30 0.00 49 G 8.01 3.77 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 0.00