NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5468 0.0000 0.0000 62.6086 33.6300 174.7798 2 M 5.3256 8.6479 121.0236 53.3293 35.2222 173.4063 3 I 4.8771 9.3461 124.9216 59.4624 41.0927 174.4783 4 S 5.4576 8.9047 119.7724 56.7511 66.3904 172.9273 5 C 4.8468 9.0361 121.4707 58.0286 34.4527 172.1770 6 D 5.6240 8.9225 126.8988 53.3519 41.8381 175.8169 7 M 4.6519 9.3146 119.7913 53.4290 35.1546 173.9918 8 A 3.9971 7.7889 121.7809 52.1829 18.9328 176.9897 9 Y 4.2418 9.0067 124.3092 58.3071 39.0534 175.0668 10 G 3.1092 7.8351 116.8768 45.3272 0.0000 174.3497 11 R 4.1685 7.2602 120.4540 55.7869 30.9695 177.1013 12 T 4.1025 8.4325 112.5794 61.4558 70.9315 175.5509 13 D 4.3539 8.5231 121.5964 57.6323 40.8330 178.9272 14 E 3.9835 8.1108 118.5647 59.6078 29.4555 179.3004 15 Q 4.0270 8.0354 117.8382 58.8332 28.6810 178.9707 16 K 4.0332 8.1302 119.6947 59.4535 32.0596 179.6716 17 R 3.9516 8.2334 118.2775 58.9235 29.8563 179.0176 18 A 3.9375 8.0169 120.7416 54.9437 18.3626 179.1211 19 L 3.8795 8.0846 119.3329 58.5968 42.0674 179.4902 20 S 3.8997 8.4038 113.7982 61.3058 63.0066 176.2290 21 A 4.0440 8.1538 124.5837 54.7000 18.1143 179.9120 22 G 3.4416 8.2254 104.3112 47.9904 0.0000 176.0095 23 L 3.8712 7.8943 122.2422 57.2453 41.5678 179.6223 24 L 3.8937 8.0479 119.3073 57.6153 41.4295 179.6181 25 R 3.8386 7.8249 118.3618 59.6140 30.1112 179.0922 26 V 3.5998 7.8218 112.2122 64.3724 31.4414 178.7488 27 I 3.6803 7.8412 119.6397 64.3248 36.9612 178.3197 28 S 4.2580 8.0537 115.3361 60.9264 61.9811 175.9446 29 E 3.9619 8.3148 120.8500 58.9679 29.4126 178.3128 30 A 4.1437 7.8924 120.5953 55.0595 18.6527 179.1772 31 T 4.1726 8.1298 106.9965 62.1341 69.3885 176.2993 32 G 3.8944 7.9876 108.6425 45.2430 0.0000 172.9895 33 E 4.2640 8.0995 121.4886 54.2894 30.6727 174.2766 34 P 4.4574 0.0000 0.0000 62.5474 32.3669 177.2833 35 R 3.9630 8.7914 119.3851 59.7524 30.1047 178.7932 36 E 4.0938 8.1832 115.4835 58.7738 29.5108 177.1693 37 N 4.6743 8.5342 114.9101 53.1900 38.9027 174.5787 38 I 4.6515 7.4926 120.2111 59.4348 38.9070 175.1591 39 F 4.6062 9.0983 130.7778 57.6928 40.7475 174.0911 40 F 5.6026 7.6850 126.8268 56.3082 42.4254 173.9198 41 V 4.0171 8.2999 124.6851 59.7324 34.3516 174.2768 42 I 4.5616 7.8098 124.9282 59.8032 38.7105 175.0268 43 R 4.6876 9.1148 126.4803 54.4553 32.5200 174.9893 44 E 5.8638 8.2269 122.5357 54.3235 33.1340 175.0451 45 G 4.4535 8.4507 106.9277 45.6265 0.0000 172.9641 46 S 4.9318 8.6741 115.5580 57.0307 64.5712 175.5776 47 G 3.6960 8.6948 109.1925 48.6640 0.0000 175.6624 48 I 3.7283 7.9038 118.8536 63.3723 37.9239 175.7684 49 N 4.6981 8.2165 115.3904 53.2558 38.8641 174.7706 50 F 4.7256 8.1696 117.1620 55.4307 42.1255 174.9865 51 V 4.3209 8.4272 123.0893 61.2459 32.8786 174.2750 52 E 4.8855 8.5825 125.8842 54.8776 32.7991 176.1270 53 H 4.4891 8.5489 117.4912 56.2303 29.8958 173.4139 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 P 0.00 4.55 0.00 2.12 2.06 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 2 M 8.65 5.33 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 3 I 9.35 4.88 1.96 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.13 0.87 0.00 0.00 4 S 8.90 5.46 0.00 3.90 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 5 C 9.04 4.85 0.00 3.31 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 6 D 8.92 5.62 0.00 2.74 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 7 M 9.31 4.65 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 8 A 7.79 4.00 0.95 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 0.00 0.00 0.00 0.00 0.00 9 Y 9.01 4.24 0.00 2.97 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 10 G 7.84 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 0.00 0.00 0.00 11 R 7.26 4.17 0.00 1.70 1.79 0.00 3.20 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.91 0.00 12 T 8.43 4.10 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 1.16 0.00 0.00 13 D 8.52 4.35 0.00 2.73 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 14 E 8.11 3.98 0.00 1.96 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 2.39 2.34 0.00 15 Q 8.04 4.03 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 16 K 8.13 4.03 0.00 1.94 1.86 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.68 7.81 17 R 8.23 3.95 0.00 2.01 1.98 0.00 3.12 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 18 A 8.02 3.94 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 L 8.08 3.88 0.00 1.89 2.00 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.40 3.90 0.00 4.30 4.48 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.04 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 22 G 8.23 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.89 3.87 0.00 1.47 1.30 0.81 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.05 3.89 0.00 1.72 1.67 0.97 0.65 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 25 R 7.82 3.84 0.00 1.99 2.03 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 26 V 7.82 3.60 2.05 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 0.74 0.00 0.00 0.97 0.00 0.00 27 I 7.84 3.68 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.48 0.90 0.00 0.00 28 S 8.05 4.26 0.00 3.98 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 29 E 8.31 3.96 0.00 2.07 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 2.31 2.31 0.00 30 A 7.89 4.14 1.34 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 31 T 8.13 4.17 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 1.28 0.00 0.00 32 G 7.99 3.89 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 33 E 8.10 4.26 0.00 2.07 1.82 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 2.31 2.30 0.00 34 P 0.00 4.46 0.00 2.44 2.17 0.00 3.86 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.00 0.00 35 R 8.79 3.96 0.00 1.89 2.05 0.00 3.12 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 36 E 8.18 4.09 0.00 1.95 2.04 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 2.33 2.41 0.00 37 N 8.53 4.67 0.00 2.85 2.87 0.00 0.00 6.82 7.55 0.00 0.00 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 I 7.49 4.65 2.00 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 1.13 0.61 0.91 0.00 0.00 39 F 9.10 4.61 0.00 3.23 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 40 F 7.69 5.60 0.00 2.72 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 41 V 8.30 4.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.91 0.00 0.00 42 I 7.81 4.56 1.66 0.00 0.00 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 1.08 -0.34 0.86 0.00 0.00 43 R 9.11 4.69 0.00 1.89 1.85 0.00 3.26 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 44 E 8.23 5.86 0.00 1.99 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 0.00 2.26 2.18 0.00 45 G 8.45 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.67 4.93 0.00 4.06 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 0.00 47 G 8.69 3.70 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 0.00 0.00 0.00 48 I 7.90 3.73 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.93 0.00 0.00 49 N 8.22 4.70 0.00 2.96 2.65 0.00 0.00 6.76 6.73 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 50 F 8.17 4.73 0.00 2.96 2.94 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 0.00 51 V 8.43 4.32 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 0.88 0.00 0.00 0.95 0.00 0.00 52 E 8.58 4.89 0.00 1.95 1.82 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 2.32 2.42 0.00 53 H 8.55 4.49 0.00 3.07 3.13 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00