NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4070 8.2644 123.5829 51.2830 20.3761 174.8902 3 K 4.1242 7.2981 125.4893 55.1966 36.0792 172.4643 4 H 4.4214 9.3380 116.8514 56.3872 28.5689 174.8150 5 P 4.3300 0.0000 0.0000 64.1639 32.1884 176.6550 6 V 4.4416 7.8358 118.4447 60.6658 34.4305 171.9073 7 P 4.3442 0.0000 0.0000 62.7501 31.5356 176.5588 8 K 4.1500 8.6202 123.5975 58.4478 32.6111 176.5995 9 K 4.5526 7.4537 115.7348 54.2751 35.9877 175.6385 10 K 4.0227 8.5091 122.9315 56.2438 31.8329 176.9382 11 T 3.8845 8.5203 124.1554 63.7698 68.8888 175.2286 12 S 4.3182 8.5504 121.6143 57.9225 65.1566 175.1156 13 K 3.8111 8.7013 123.1991 59.8769 31.9987 178.9998 14 A 3.9638 8.0828 120.2102 55.5845 18.1904 179.5641 15 R 3.9156 7.9931 116.8263 59.1345 29.9018 178.6185 16 R 3.8786 8.4050 118.4568 59.6163 30.4541 178.0179 17 D 4.4730 8.7473 118.8092 57.1729 40.9201 178.5132 18 A 3.9778 7.9054 120.9922 55.2079 18.1227 179.6542 19 R 3.8611 7.6334 115.8485 59.4464 30.3787 178.4586 20 R 3.8267 8.0745 117.1213 57.4626 29.9527 178.3647 21 S 3.9784 7.3525 113.8383 61.5749 62.5621 174.8750 22 H 4.7885 7.5575 116.4774 56.0459 28.4842 175.4599 23 H 4.5727 8.6520 118.2342 56.5850 29.0943 175.6362 24 A 3.8603 8.0190 121.3234 52.4236 18.3748 176.8832 25 L 4.2696 8.4443 125.1119 54.7494 43.0797 175.8410 26 T 4.6106 8.0752 114.6773 58.7766 70.7055 172.6968 27 P 4.3492 0.0000 0.0000 61.8652 31.8877 174.4344 28 P 4.3192 0.0000 0.0000 63.0607 31.7412 175.6142 29 T 4.3396 8.3083 111.3474 60.8538 69.7463 173.8179 30 L 5.1644 8.2298 124.7006 53.1067 46.0583 175.7029 31 V 4.6083 8.9826 112.5250 59.2808 36.4853 173.2611 32 P 5.0564 0.0000 0.0000 62.6358 32.2282 176.7250 33 C 4.5602 9.1582 123.2609 55.5385 44.4576 173.0716 34 P 4.0529 0.0000 0.0000 64.6927 31.2393 176.9995 35 E 4.6367 8.5383 116.6095 54.3257 30.0845 175.2289 36 C 5.2853 7.1525 118.3517 57.4832 32.0264 174.7983 37 K 3.8930 8.8472 119.9578 60.1034 32.4497 176.6800 38 A 3.6696 7.0090 119.9034 47.8507 20.0008 176.6692 39 M 4.8762 8.6005 122.3545 54.0536 32.1298 175.9571 40 K 4.4330 9.0563 124.1271 54.6599 34.8633 174.0816 41 P 5.0092 0.0000 0.0000 60.7932 32.4694 173.6837 42 P 4.1005 0.0000 0.0000 64.2841 31.5816 175.3901 43 H 4.1966 9.2251 117.2038 56.8664 25.5190 174.5174 44 T 4.7833 7.3790 107.4141 60.2293 71.8614 172.8029 45 V 4.4388 8.2524 121.6562 61.4490 33.2909 174.6727 46 C 4.7664 8.2024 125.6409 57.0252 34.6889 170.8426 47 P 4.3416 0.0000 0.0000 61.9644 32.8424 173.8936 48 E 4.6441 9.3535 129.8583 57.3702 37.4300 177.0547 49 C 4.1693 10.2520 117.3561 58.5490 40.9598 180.0847 50 G 2.8927 8.9263 104.9694 44.7255 0.0000 177.4113 51 Y 4.3074 6.9650 124.3189 57.1273 42.0332 171.1909 52 Y 4.6101 7.6713 118.9124 56.3536 39.5790 175.3027 53 A 3.7438 8.8001 126.6843 53.3275 16.3282 175.7598 54 G 3.8969 7.7208 106.4020 44.7357 0.0000 172.4854 55 R 4.4082 7.9255 119.4327 54.1691 31.7951 175.6209 56 K 4.1738 7.6307 115.7561 57.5070 36.4101 173.8787 57 V 3.8255 8.1180 112.2612 61.8225 32.1194 175.0194 58 L 4.6234 8.1283 122.1418 55.1465 44.1170 176.9101 59 E 4.3439 7.9426 123.8294 55.0654 32.3800 175.7863 60 V 3.8482 8.5875 126.1992 64.4104 32.0853 170.1999 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 A 8.26 4.41 1.29 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 3 K 7.30 4.12 0.00 1.74 1.59 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.58 7.81 4 H 9.34 4.42 0.00 3.16 3.05 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.33 0.00 2.17 2.07 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 6 V 7.84 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 0.79 0.00 0.00 0.97 0.00 0.00 7 P 0.00 4.34 0.00 2.22 2.06 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 8 K 8.62 4.15 0.00 1.72 1.88 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.45 4.55 0.00 1.72 1.63 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.36 7.81 10 K 8.51 4.02 0.00 1.71 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.46 7.81 11 T 8.52 3.88 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 1.24 0.00 0.00 12 S 8.55 4.32 0.00 4.04 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 13 K 8.70 3.81 0.00 1.82 1.92 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.53 7.81 14 A 8.08 3.96 1.32 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 0.00 0.00 0.00 15 R 7.99 3.92 0.00 1.91 2.04 0.00 3.10 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 16 R 8.40 3.88 0.00 1.81 2.19 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 17 D 8.75 4.47 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 3.98 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 19 R 7.63 3.86 0.00 1.81 2.25 0.00 3.29 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 20 R 8.07 3.83 0.00 2.08 2.05 0.00 3.34 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 21 S 7.35 3.98 0.00 3.93 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 22 H 7.56 4.79 0.00 3.13 3.31 0.00 5.69 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.65 4.57 0.00 3.18 3.32 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.02 3.86 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 25 L 8.44 4.27 0.00 1.63 1.58 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.08 4.61 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 1.22 0.00 0.00 27 P 0.00 4.35 0.00 2.20 2.10 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 28 P 0.00 4.32 0.00 2.20 2.10 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 29 T 8.31 4.34 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 1.22 0.00 0.00 30 L 8.23 5.16 0.00 1.49 1.63 0.92 0.95 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 31 V 8.98 4.61 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 0.72 0.00 0.00 0.96 0.00 0.00 32 P 0.00 5.06 0.00 1.92 1.96 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 33 C 9.16 4.56 0.00 2.92 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 34 P 0.00 4.05 0.00 2.07 2.06 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 35 E 8.54 4.64 0.00 1.93 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 2.26 0.00 36 C 7.15 5.29 0.00 3.15 3.09 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 0.00 0.00 0.00 37 K 8.85 3.89 0.00 1.88 2.00 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 A 7.01 3.67 1.28 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 39 M 8.60 4.88 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 40 K 9.06 4.43 0.00 1.64 1.70 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.69 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.39 7.81 41 P 0.00 5.01 0.00 2.08 2.00 0.00 3.64 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 2.07 2.07 0.00 42 P 0.00 4.10 0.00 2.31 2.09 0.00 4.01 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 43 H 9.23 4.20 0.00 3.39 3.56 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.38 4.78 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 1.31 0.00 0.00 45 V 8.25 4.44 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 1.01 0.00 0.00 1.04 0.00 0.00 46 C 8.20 4.77 0.00 2.94 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.22 2.12 0.00 3.87 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 48 E 9.35 4.64 0.00 1.98 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 2.16 2.21 0.00 49 C 10.25 4.17 0.00 3.06 3.33 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 50 G 8.93 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 0.00 0.00 0.00 51 Y 6.96 4.31 0.00 2.77 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 0.00 0.00 0.00 0.00 52 Y 7.67 4.61 0.00 3.20 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 53 A 8.80 3.74 1.40 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 0.00 0.00 54 G 7.72 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 0.00 0.00 0.00 55 R 7.93 4.41 0.00 1.67 1.76 0.00 3.36 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 56 K 7.63 4.17 0.00 1.95 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.16 1.25 7.81 57 V 8.12 3.83 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 0.69 0.00 0.00 0.94 0.00 0.00 58 L 8.13 4.62 0.00 1.60 1.56 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.94 4.34 0.00 1.94 1.51 0.00 0.00 0.00 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 2.42 0.00 60 V 8.59 3.85 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 0.68 0.00 0.00 0.93 0.00 0.00