NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1697 7.9133 120.6698 62.9785 33.2029 174.1727 3 D 5.4771 8.6825 127.1104 52.6197 44.1054 173.4971 4 Y 5.0563 9.1319 117.5797 56.3746 43.0154 173.9459 5 I 4.7276 8.6331 122.8870 59.4576 40.5389 174.6312 6 V 4.2762 8.6468 129.4998 62.8933 31.9137 176.0243 7 E 4.3312 9.5427 126.9857 56.8364 31.3329 175.8762 8 Y 4.9601 7.8551 115.0513 55.8454 42.1543 175.0164 9 D 4.8104 9.1163 122.6564 55.0178 41.8215 175.2192 10 Y 4.5881 8.9399 122.9510 55.7970 42.5506 173.3526 11 D 4.9357 7.5377 124.7156 51.7722 43.1098 176.1125 12 A 3.9526 8.4841 127.4081 52.6557 18.8167 177.2640 13 V 4.0693 9.3271 121.6871 63.1414 33.0283 174.7655 14 H 5.0642 7.9891 115.0286 53.8848 32.8489 173.6964 15 D 4.4192 8.8017 120.1488 57.5215 40.7964 177.5974 16 D 4.6372 8.1008 116.2348 53.8582 40.0801 175.2664 17 E 5.2388 7.9645 119.7706 55.3671 31.5434 175.2851 18 L 4.7041 8.9744 122.9143 53.8820 43.2134 176.5060 19 T 4.5913 8.5239 120.8317 63.0693 69.4488 174.1646 20 I 4.7598 8.8271 118.9436 59.2526 41.7721 174.3945 21 R 5.1040 8.5803 121.1181 54.0925 34.4361 174.8523 22 V 3.7160 8.6737 122.2768 64.8894 31.6406 176.0919 23 G 4.0175 9.0421 116.7385 45.1501 0.0000 173.4913 24 E 4.2169 8.0797 119.4365 56.3678 30.8754 175.9255 25 I 4.6709 8.1596 123.5408 60.1662 38.8454 175.1824 26 I 4.4546 8.7360 129.1427 60.3885 38.5768 175.1256 27 R 4.9281 9.1444 124.3828 54.7530 31.8524 175.5211 28 N 4.3804 8.5981 117.7438 54.7599 37.4560 174.5302 29 V 4.2993 8.0877 118.1704 62.7775 32.9749 176.1918 30 K 4.8887 9.2527 126.6513 54.2597 36.0599 175.8026 31 K 4.5215 8.6571 122.0550 56.7134 33.8431 175.9653 32 L 4.7157 7.6226 121.0390 52.9665 43.7122 176.8133 33 Q 4.0778 8.8050 120.0222 59.0831 28.8063 177.7974 34 E 4.2003 7.9740 117.9186 55.6292 30.1476 176.0103 35 E 4.1036 8.6738 124.0350 57.8285 30.1836 177.3700 36 G 4.2778 9.3809 111.2122 44.6488 0.0000 172.3912 37 W 5.0137 7.8633 118.1852 54.6626 32.8505 174.5974 38 L 4.9367 8.6118 122.9524 52.6759 45.5572 174.7559 39 E 4.8655 8.3157 120.2663 54.8831 33.1764 174.9374 40 G 4.3372 8.9389 111.7132 46.1380 0.0000 170.7206 41 E 5.3342 8.8563 120.7903 54.2799 32.0791 174.9505 42 L 4.7902 8.8544 128.5864 53.5331 45.4317 175.7276 43 N 4.0349 9.6988 125.4536 54.8270 37.0279 174.4880 44 G 3.9606 8.2105 102.7526 45.7166 0.0000 172.6030 45 R 4.7399 7.8270 119.7565 54.3931 33.5317 174.2144 46 R 5.1552 8.2958 123.3489 54.8368 32.7275 175.3330 47 G 4.2205 8.7351 108.0826 46.2484 0.0000 172.2165 48 M 5.2732 8.7893 118.7890 54.3231 34.0538 174.9315 49 F 4.9588 8.1856 112.5312 55.4183 41.5707 172.0388 50 P 3.9762 0.0000 0.0000 62.1332 31.9891 177.2892 51 D 4.4690 8.5656 121.0577 54.9950 39.7994 177.7876 52 N 4.5622 7.8472 116.2424 54.4072 37.9118 175.5873 53 F 4.5934 8.0484 117.7080 58.5098 39.5701 175.0776 54 V 5.1938 7.4741 111.4647 59.4681 36.0155 174.8218 55 K 4.7056 9.0615 122.0970 54.4554 35.5752 174.9496 56 E 2.6516 8.6431 128.5462 55.9877 30.0928 175.9799 57 I 3.9617 7.9981 128.8713 60.7458 37.9299 176.4407 58 K 4.1091 8.4792 125.5932 56.4767 32.3799 176.0005 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 2 V 7.91 4.17 2.25 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 1.01 0.00 0.00 0.99 0.00 0.00 3 D 8.68 5.48 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 9.13 5.06 0.00 2.88 2.90 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 5 I 8.63 4.73 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.42 0.95 0.00 0.00 6 V 8.65 4.28 2.24 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 1.05 0.00 0.00 0.87 0.00 0.00 7 E 9.54 4.33 0.00 1.86 1.42 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 2.15 2.24 0.00 8 Y 7.86 4.96 0.00 3.06 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 9 D 9.12 4.81 0.00 2.67 2.65 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 10 Y 8.94 4.59 0.00 1.43 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 0.00 0.00 0.00 0.00 11 D 7.54 4.94 0.00 2.28 2.33 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 12 A 8.48 3.95 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 13 V 9.33 4.07 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 0.61 0.00 0.00 0.84 0.00 0.00 14 H 7.99 5.06 0.00 3.17 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.80 4.42 0.00 2.68 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.10 4.64 0.00 2.84 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 5.24 0.00 2.22 2.33 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 2.53 2.39 0.00 18 L 8.97 4.70 0.00 1.69 1.65 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.52 4.59 4.22 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 0.00 0.00 0.00 1.25 0.00 0.00 20 I 8.83 4.76 1.72 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 0.64 0.00 0.00 21 R 8.58 5.10 0.00 1.87 1.79 0.00 3.35 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 22 V 8.67 3.72 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 0.67 0.00 0.00 0.98 0.00 0.00 23 G 9.04 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 0.00 0.00 0.00 24 E 8.08 4.22 0.00 1.91 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 2.31 2.45 0.00 25 I 8.16 4.67 1.88 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 1.34 0.80 1.00 0.00 0.00 26 I 8.74 4.45 1.94 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.51 0.92 0.00 0.00 27 R 9.14 4.93 0.00 1.88 2.07 0.00 2.94 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 28 N 8.60 4.38 0.00 2.93 2.93 0.00 0.00 7.12 7.11 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 29 V 8.09 4.30 2.37 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 0.41 0.00 0.00 1.11 0.00 0.00 30 K 9.25 4.89 0.00 1.63 1.63 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.36 7.81 31 K 8.66 4.52 0.00 1.75 1.79 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.42 7.81 32 L 7.62 4.72 0.00 1.68 1.83 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.81 4.08 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 34 E 7.97 4.20 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 35 E 8.67 4.10 0.00 2.01 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 0.00 2.34 2.27 0.00 36 G 9.38 4.28 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 0.00 0.00 0.00 37 W 7.86 5.01 0.00 3.37 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 38 L 8.61 4.94 0.00 0.35 1.00 0.45 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.32 4.87 0.00 1.95 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 2.20 2.24 0.00 40 G 8.94 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.86 5.33 0.00 2.09 1.91 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 2.23 2.25 0.00 42 L 8.85 4.79 0.00 1.66 1.42 0.94 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.70 4.03 0.00 2.82 2.80 0.00 0.00 7.22 7.98 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 44 G 8.21 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 0.00 0.00 0.00 45 R 7.83 4.74 0.00 1.89 1.84 0.00 3.08 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 46 R 8.30 5.16 0.00 1.75 1.85 0.00 3.32 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 47 G 8.74 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 M 8.79 5.27 0.00 2.06 2.37 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.66 0.00 49 F 8.19 4.96 0.00 2.72 3.05 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 50 P 0.00 3.98 0.00 2.22 1.22 0.00 2.46 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.44 0.00 51 D 8.57 4.47 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.85 4.56 0.00 2.60 2.80 0.00 0.00 6.07 7.43 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 53 F 8.05 4.59 0.00 3.22 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 54 V 7.47 5.19 2.46 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 0.71 0.00 0.00 1.19 0.00 0.00 55 K 9.06 4.71 0.00 1.83 1.61 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.35 7.81 56 E 8.64 2.65 0.00 1.32 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.83 0.00 57 I 8.00 3.96 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 1.18 0.57 0.87 0.00 0.00 58 K 8.48 4.11 0.00 1.66 1.63 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.29 7.81