NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 D 4.5988 8.3649 120.1937 54.1916 42.0654 175.5243 12 H 4.2900 8.8323 124.4697 57.9947 29.0788 174.7880 13 R 4.2102 8.6592 119.3680 55.7503 31.4701 175.4207 14 L 4.8828 8.1775 121.7262 53.0543 43.7817 177.1774 15 T 4.1597 8.9872 114.2315 61.5585 70.7171 175.3039 16 D 4.5386 8.5886 120.4110 57.6419 40.6798 179.2916 17 R 4.0262 8.0447 118.0211 59.4633 30.2122 178.8074 18 E 4.0002 8.3871 118.3088 58.9316 29.3670 179.3444 19 W 4.2390 8.4533 128.3212 60.3792 30.9481 178.0400 20 A 4.0422 8.5345 120.8011 55.3725 17.7908 179.5093 21 E 3.9808 8.6580 117.3848 59.3033 29.3899 179.1854 22 E 3.8175 8.2214 119.5904 59.0135 29.5916 178.9062 23 W 4.0018 7.7458 119.0042 59.3335 28.9933 178.4073 24 K 3.9377 8.0977 119.7143 59.8016 31.6099 178.4174 25 H 4.1990 8.1983 118.4426 59.1524 29.8455 176.9659 26 L 3.8199 8.0154 121.0642 57.9328 41.4505 178.7353 27 D 4.3721 8.3195 118.0225 58.0407 40.9894 178.1991 28 H 4.1580 8.2911 118.3072 59.1878 29.8644 177.2429 29 L 3.8771 8.1373 121.2884 57.6946 41.1847 179.4959 30 L 4.0291 7.6300 118.0528 57.6033 41.6439 178.8677 31 N 4.4577 8.0842 115.7854 56.5591 38.5717 176.8385 32 C 4.2774 7.9112 117.0126 62.7295 28.1961 176.7411 33 I 3.7780 7.3140 116.6341 62.1209 36.6632 176.1718 *35 D 4.3648 7.8472 117.7125 54.1873 42.7190 176.8069 *37 V 4.0239 7.6118 118.7075 62.9762 33.2764 177.3547 38 E 4.0476 7.9954 118.7224 59.1259 29.2250 179.1785 39 K 3.9689 8.2623 118.7773 59.6522 31.9453 179.5491 40 T 3.8769 7.7078 115.7215 66.5022 68.3946 176.6042 41 R 3.8569 8.0419 120.7272 59.3627 30.0700 178.5258 42 R 3.8487 8.2982 118.8333 59.3516 30.0626 178.3139 43 S 4.0644 8.3391 113.2188 61.6277 62.3330 176.3268 44 L 4.0432 8.2488 121.6370 57.7397 41.1676 179.6037 45 T 3.8305 8.1904 116.3293 66.5259 68.3759 176.4405 46 V 3.5749 7.6977 120.0108 66.2832 31.4667 178.0353 47 L 3.9857 8.0255 118.4809 57.7715 41.3215 179.6508 48 R 3.8923 8.2120 118.8783 59.3572 30.0837 178.4889 49 R 3.9128 8.2337 118.2066 59.5936 30.0805 178.5462 50 C 4.1179 8.2979 118.3249 62.3411 31.5558 175.2910 51 Q 3.9482 8.2442 121.3819 59.3976 28.6755 178.3626 52 E 3.9708 8.5556 119.6211 59.3772 29.5032 179.2458 53 A 4.0442 8.0992 120.8795 55.1429 18.4271 179.3242 54 D 4.3547 8.6906 117.8841 57.6505 40.8143 179.1050 55 R 4.0148 8.1116 119.1601 59.2402 30.0406 178.4945 56 E 3.9510 8.2944 118.4895 59.4084 29.4970 178.6674 57 E 4.0498 8.3332 119.3855 59.3219 29.5561 178.5332 58 L 4.1046 8.6304 120.4125 58.6043 42.2227 178.8631 59 N 4.3753 8.5462 116.4627 56.1875 38.3365 176.9350 60 Y 3.9670 8.1041 121.1329 60.6417 38.9032 178.1247 61 W 4.2483 8.3679 119.8863 59.5564 29.0139 178.6337 62 I 3.7689 8.2043 120.1823 64.3741 36.5915 177.9883 63 R 3.8140 7.8374 119.4336 59.8116 29.7346 178.0871 64 R 3.6663 7.6681 117.7596 59.7156 29.8484 178.0545 65 Y 3.8513 8.2022 117.9459 60.9841 38.9251 178.0739 66 S 4.8675 8.1185 113.9523 60.9767 62.4807 175.5612 67 D 4.3992 8.0655 120.9566 56.4354 41.6698 177.6868 68 A 4.3023 7.7275 122.0336 51.0401 16.8097 176.8271 69 E 3.8862 7.6240 129.1729 56.1660 29.8662 175.6622 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 11 D 8.36 4.60 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.83 4.29 0.00 3.26 3.35 0.00 5.75 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.66 4.21 0.00 1.92 1.86 0.00 3.12 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 14 L 8.18 4.88 0.00 1.80 1.75 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.99 4.16 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 1.30 0.00 0.00 16 D 8.59 4.54 0.00 2.76 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.04 4.03 0.00 1.87 2.03 0.00 3.33 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 18 E 8.39 4.00 0.00 2.26 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 2.36 2.37 0.00 19 W 8.45 4.24 0.00 3.63 3.55 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 0.00 0.00 0.00 0.00 20 A 8.53 4.04 1.48 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 0.00 0.00 21 E 8.66 3.98 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 22 E 8.22 3.82 0.00 2.09 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 23 W 7.75 4.00 0.00 3.18 3.01 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 0.00 0.00 0.00 24 K 8.10 3.94 0.00 2.17 1.86 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 25 H 8.20 4.20 0.00 3.29 3.47 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.02 3.82 0.00 1.88 1.71 0.60 1.14 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 27 D 8.32 4.37 0.00 2.91 2.92 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 28 H 8.29 4.16 0.00 3.31 3.45 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.14 3.88 0.00 1.76 1.61 0.68 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.63 4.03 0.00 1.75 1.71 0.96 1.05 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 31 N 8.08 4.46 0.00 2.80 2.85 0.00 0.00 7.07 7.20 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 32 C 7.91 4.28 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 33 I 7.31 3.78 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.60 0.89 0.00 0.00 *35 D 7.85 4.36 0.00 2.85 2.82 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 *37 V 7.61 4.02 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 0.94 0.00 0.00 0.96 0.00 0.00 38 E 8.00 4.05 0.00 2.01 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 2.39 2.33 0.00 39 K 8.26 3.97 0.00 1.80 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.46 1.68 7.81 40 T 7.71 3.88 4.44 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 1.21 0.00 0.00 41 R 8.04 3.86 0.00 1.88 2.07 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 42 R 8.30 3.85 0.00 2.02 2.03 0.00 3.20 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 43 S 8.34 4.06 0.00 3.91 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 44 L 8.25 4.04 0.00 1.85 1.70 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.19 3.83 4.46 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 1.21 0.00 0.00 46 V 7.70 3.57 2.20 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 1.03 0.00 0.00 1.00 0.00 0.00 47 L 8.03 3.99 0.00 1.74 1.71 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.21 3.89 0.00 1.94 2.12 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 49 R 8.23 3.91 0.00 2.00 1.98 0.00 3.35 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.80 0.00 50 C 8.30 4.12 0.00 3.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.24 3.95 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 52 E 8.56 3.97 0.00 2.04 1.98 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 2.33 2.42 0.00 53 A 8.10 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.69 4.35 0.00 2.90 2.77 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 55 R 8.11 4.01 0.00 2.04 2.12 0.00 3.17 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 56 E 8.29 3.95 0.00 2.25 1.98 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 2.34 2.50 0.00 57 E 8.33 4.05 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.57 0.00 58 L 8.63 4.10 0.00 1.88 1.99 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.55 4.38 0.00 2.82 2.89 0.00 0.00 6.74 8.33 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 60 Y 8.10 3.97 0.00 3.03 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 61 W 8.37 4.25 0.00 3.55 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.20 3.77 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.95 0.00 0.00 63 R 7.84 3.81 0.00 1.92 2.01 0.00 3.13 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 1.55 1.58 0.00 64 R 7.67 3.67 0.00 1.69 1.98 0.00 3.21 0.00 0.00 2.85 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 65 Y 8.20 3.85 0.00 3.04 3.07 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 0.00 0.00 0.00 66 S 8.12 4.87 0.00 3.95 4.01 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 0.00 0.00 0.00 67 D 8.07 4.40 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.73 4.30 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.62 3.89 0.00 2.34 1.73 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 0.00 2.33 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.