NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4761 8.2893 120.3260 54.5648 33.4699 176.5246 2 P 4.4845 0.0000 0.0000 61.7257 28.6648 173.9632 3 R 4.2784 8.2176 128.0336 57.0320 32.8067 176.1217 4 L 4.7543 8.7057 121.1090 53.7057 45.5818 174.3500 5 K 4.9573 8.3004 128.0378 54.2110 33.1381 175.7274 6 V 4.6444 8.3119 120.2410 59.3517 35.5981 174.2572 7 K 5.5280 8.9031 126.8015 53.3890 34.1218 174.9454 8 L 4.2344 8.6215 129.9999 55.9751 42.5026 176.7843 9 V 4.2003 8.6444 118.1504 62.0541 34.2837 175.9698 10 K 4.5088 8.1204 120.7846 53.9326 33.8443 175.7479 11 S 4.3376 8.6791 120.7432 58.1215 63.0133 171.8536 12 P 4.9322 0.0000 0.0000 63.3958 32.0360 173.3425 13 I 3.8704 7.0901 121.1320 63.4058 36.5274 173.4279 14 G 3.2822 8.4278 117.8795 45.5683 0.0000 172.0982 15 Y 4.3495 8.1124 118.3089 56.3683 38.9438 174.1530 16 P 4.3896 0.0000 0.0000 63.4757 33.3294 176.6917 17 K 3.7382 9.2167 118.1886 60.0788 31.9541 179.4514 18 D 4.3827 7.5802 118.1484 56.5834 39.6518 179.1482 19 Q 3.9285 8.0682 119.9005 58.4412 28.6977 178.7430 20 K 3.9272 7.9525 117.8896 59.2100 31.8069 178.9524 21 A 4.1177 7.9303 121.0156 55.1030 18.6214 179.1018 22 A 4.2003 7.9279 119.2713 55.8124 18.1754 179.8888 23 L 3.9928 7.6887 115.7719 57.4160 41.3565 179.4670 24 K 3.9974 9.1138 119.4443 58.7007 32.2725 178.0813 25 A 4.3630 7.9333 120.3214 53.7394 19.0321 177.7461 26 L 4.2427 7.5138 120.1703 53.9328 39.7560 176.1717 27 G 3.8550 7.2455 112.3553 46.1386 0.0000 172.8922 28 L 5.5987 7.8155 126.0985 52.9521 44.0158 177.5125 29 R 4.6215 7.7626 132.8875 55.5755 29.5347 178.1854 30 R 3.7023 8.5308 124.5883 56.6073 30.4897 175.6388 31 L 3.8224 8.6396 122.7954 55.8538 42.7027 176.1581 32 Q 3.3811 8.1004 114.1053 56.1444 26.2063 174.0036 33 Q 4.7058 7.5168 119.0802 54.4092 32.2449 174.8580 34 E 4.9923 8.5227 124.6671 54.6937 32.0589 176.1215 35 R 4.2776 7.9977 120.9112 55.7179 32.6951 174.1106 36 V 3.9923 8.4275 121.4238 61.3254 32.4878 176.1356 37 L 4.6325 9.5134 126.2672 52.7525 45.8690 175.3074 38 E 4.0970 9.1451 123.6197 56.8025 30.0034 176.7742 39 D 4.4068 8.3397 124.9844 55.0660 41.7184 175.7626 40 T 4.2708 8.7339 116.0076 59.9378 70.2825 172.2514 41 P 4.1665 0.0000 0.0000 65.3653 31.0409 178.3976 42 A 4.2817 7.9723 119.1425 55.5016 18.4776 179.6804 43 I 3.5475 7.5966 117.7056 64.1467 37.1561 178.8648 44 R 4.0642 9.9104 119.1080 59.3670 30.1185 179.0109 45 G 3.9030 8.9855 106.5162 48.2769 0.0000 175.2490 46 N 4.4886 7.7561 117.8871 55.8198 38.7615 177.6893 47 V 3.5196 7.3489 118.2353 66.1386 31.3932 177.6656 48 E 3.9946 8.1677 117.3110 59.7340 29.3346 179.1024 49 K 4.0441 7.3606 117.3409 59.4322 32.6038 179.1486 50 V 3.3036 8.6696 112.6227 62.2966 31.5592 181.2933 51 A 3.0874 9.2199 115.9034 51.5377 19.9759 178.1631 52 H 3.9099 8.8615 121.0273 56.7263 29.7464 176.4004 53 L 4.3996 8.5525 120.7475 54.9494 42.5852 175.8353 54 V 4.8913 8.2497 117.5565 60.9298 35.3968 174.5216 55 R 4.4741 8.8083 125.0950 53.8666 31.5265 175.1496 56 V 4.6994 8.2098 133.8746 63.4602 33.4343 174.7221 57 E 4.8488 8.6944 116.6315 54.1113 30.1523 174.8589 58 V 4.4145 7.9251 122.1095 61.3456 34.5532 174.6933 59 V 4.1696 7.6632 125.3680 62.7794 34.6102 174.6518 *60 E 4.1630 8.5999 115.7849 56.2157 30.2635 171.5916 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 8.29 4.48 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.48 0.00 2.19 2.21 0.00 3.73 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 2.07 2.06 0.00 3 R 8.22 4.28 0.00 1.93 1.95 0.00 3.09 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.83 0.00 4 L 8.71 4.75 0.00 1.71 1.45 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.30 4.96 0.00 1.78 1.68 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.71 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.23 7.81 6 V 8.31 4.64 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 0.84 0.00 0.00 0.92 0.00 0.00 7 K 8.90 5.53 0.00 1.76 1.64 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.18 7.81 8 L 8.62 4.23 0.00 1.76 1.53 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.64 4.20 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 0.82 0.00 0.00 0.92 0.00 0.00 10 K 8.12 4.51 0.00 1.66 1.68 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.40 7.81 11 S 8.68 4.34 0.00 3.91 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 12 P 0.00 4.93 0.00 2.36 2.33 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 13 I 7.09 3.87 1.88 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 1.27 0.82 0.91 0.00 0.00 14 G 8.43 3.28 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 15 Y 8.11 4.35 0.00 2.99 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.41 2.02 0.00 3.84 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 17 K 9.22 3.74 0.00 1.77 1.82 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.50 7.81 18 D 7.58 4.38 0.00 2.89 2.91 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 0.00 0.00 0.00 19 Q 8.07 3.93 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 20 K 7.95 3.93 0.00 1.87 1.94 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.74 7.81 21 A 7.93 4.12 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 22 A 7.93 4.20 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 23 L 7.69 3.99 0.00 1.96 1.72 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 K 9.11 4.00 0.00 1.76 2.01 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 A 7.93 4.36 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 26 L 7.51 4.24 0.00 1.74 1.68 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.25 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.82 5.60 0.00 1.69 1.55 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.76 4.62 0.00 1.80 1.50 0.00 3.25 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 30 R 8.53 3.70 0.00 1.80 1.89 0.00 3.25 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 31 L 8.64 3.82 0.00 1.60 1.67 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.10 3.38 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 33 Q 7.52 4.71 0.00 2.42 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 34 E 8.52 4.99 0.00 1.86 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 0.00 2.24 2.18 0.00 35 R 8.00 4.28 0.00 1.84 1.74 0.00 3.40 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 36 V 8.43 3.99 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 0.73 0.00 0.00 0.93 0.00 0.00 37 L 9.51 4.63 0.00 1.48 1.50 0.91 0.12 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 38 E 9.15 4.10 0.00 1.82 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 2.32 2.40 0.00 39 D 8.34 4.41 0.00 2.78 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.73 4.27 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 1.27 0.00 0.00 41 P 0.00 4.17 0.00 2.20 2.06 0.00 3.65 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 2.11 2.20 0.00 42 A 7.97 4.28 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 0.00 0.00 0.00 0.00 0.00 43 I 7.60 3.55 1.95 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 1.63 1.39 0.90 0.00 0.00 44 R 9.91 4.06 0.00 1.99 1.96 0.00 3.21 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 45 G 8.99 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 46 N 7.76 4.49 0.00 2.65 2.84 0.00 0.00 6.60 7.56 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 47 V 7.35 3.52 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.97 0.00 0.00 48 E 8.17 3.99 0.00 2.14 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 2.41 2.47 0.00 49 K 7.36 4.04 0.00 1.93 1.88 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.47 7.81 50 V 8.67 3.30 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 0.74 0.00 0.00 0.94 0.00 0.00 51 A 9.22 3.09 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 0.00 0.00 0.00 0.00 0.00 52 H 8.86 3.91 0.00 3.20 3.46 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.55 4.40 0.00 1.52 1.75 0.56 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.25 4.89 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 0.75 0.00 0.00 0.89 0.00 0.00 55 R 8.81 4.47 0.00 1.85 1.75 0.00 3.14 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 56 V 8.21 4.70 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 0.78 0.00 0.00 0.91 0.00 0.00 57 E 8.69 4.85 0.00 2.11 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 0.00 2.18 2.10 0.00 58 V 7.93 4.41 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 0.90 0.00 0.00 0.92 0.00 0.00 59 V 7.66 4.17 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 0.72 0.00 0.00 0.93 0.00 0.00 *60 E 8.60 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.