NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5135 8.2893 120.3261 54.3447 33.6807 176.4259 2 P 4.5078 0.0000 0.0000 61.4317 30.8185 173.3086 3 R 4.6897 9.0335 117.6323 54.8198 34.7544 176.3869 4 L 4.9764 9.1301 125.4934 52.9074 44.9252 175.6231 5 K 4.9430 8.9123 123.5007 54.9454 34.7484 174.6547 6 V 4.7438 8.5914 121.2645 59.2194 34.5891 174.9823 7 K 5.3387 8.3790 125.2855 53.2253 35.1428 174.6921 8 L 4.1774 8.6520 129.7050 55.7678 42.0568 176.9313 9 V 4.1596 8.4945 120.1846 61.1789 32.9189 176.5132 10 K 4.5589 7.7273 120.4878 53.7707 34.7869 175.3212 11 S 4.2400 8.5499 119.8844 57.6835 63.0905 172.5240 12 P 4.3328 0.0000 0.0000 65.2226 31.4772 176.7175 13 I 3.7580 7.1827 117.9446 63.1412 37.3254 176.3587 14 G 3.8653 8.9130 111.5744 45.9320 0.0000 172.7614 15 Y 4.3252 7.5688 116.9106 55.3629 39.9446 174.2812 16 P 4.4208 0.0000 0.0000 63.1741 33.2287 176.7395 17 K 3.7778 8.9895 119.1697 60.2411 31.9319 178.5106 18 D 4.4454 8.1483 118.1224 57.3840 39.0219 179.2200 19 Q 4.0393 7.6801 118.0508 58.5203 29.0946 178.6846 20 K 4.1191 8.5107 119.7874 59.4007 32.1241 179.0847 21 A 4.0427 8.0690 120.3485 55.1858 18.1598 178.9198 22 A 3.8858 8.0117 119.0682 55.7461 18.2477 179.7778 23 L 4.0971 7.5913 115.8286 57.4903 41.5673 180.0396 24 K 3.9100 7.9886 119.6544 59.3659 32.0303 178.2377 25 A 3.9713 7.9700 119.1671 55.6015 18.3431 178.8676 26 L 4.0823 8.0191 116.3135 56.1522 41.7194 178.7735 27 G 3.7775 8.2330 105.4560 45.5317 0.0000 173.2340 28 L 4.5142 9.3921 119.5539 52.5807 40.5327 177.0422 29 R 4.1237 8.2097 124.4248 56.9773 31.1749 176.8581 30 R 4.7345 7.3314 115.1458 53.7087 34.0135 175.2731 31 L 4.2570 8.2597 119.3280 57.0270 42.1062 177.0525 32 Q 4.1532 9.0315 120.9858 55.7677 28.4656 174.1840 33 Q 3.9339 7.5365 118.2952 57.0451 29.9239 175.7388 34 E 4.7756 8.7905 125.4492 54.7482 31.5336 175.1945 35 R 4.7941 9.2362 124.2184 54.5366 34.4009 174.1713 36 V 5.0461 8.2520 114.5445 59.8858 35.2646 174.8640 37 L 4.8730 8.9306 124.5783 52.6807 46.2994 174.5259 38 E 4.5552 8.5836 120.9129 55.2477 30.1386 175.3764 39 D 4.5458 8.7504 127.8382 55.1601 41.7516 175.2936 40 T 4.6332 8.4175 114.8291 58.4025 71.2503 171.4031 41 P 3.9203 0.0000 0.0000 66.3229 30.6641 178.0337 42 A 3.9777 8.0338 118.5778 55.8061 18.6057 179.6789 43 I 3.6558 7.2588 117.4106 64.8022 37.1689 178.7365 44 R 4.0334 8.4110 119.2949 60.0178 29.6431 178.1674 45 G 3.7538 8.2089 102.4250 48.7928 0.0000 174.6868 46 N 4.4204 8.1202 115.4290 55.7928 39.1980 177.2453 47 V 3.4945 7.6076 119.0602 66.5518 31.5954 177.5360 48 E 3.9163 9.0512 118.8964 59.6900 29.2201 179.5960 49 K 4.1481 8.1228 117.8941 58.2320 32.3954 177.4872 50 V 4.0822 7.6667 112.3563 60.6900 32.8746 177.4883 51 A 3.9094 7.8836 125.1060 55.8036 18.0272 180.5281 52 H 4.4483 7.8646 107.4744 57.3154 28.8206 175.4814 53 L 4.7395 8.2395 120.4040 54.1333 43.3748 175.7704 54 V 5.3372 7.5258 117.3473 62.4553 35.2500 173.4212 55 R 4.3906 8.6293 126.7178 55.4056 31.4524 175.3277 56 V 4.7436 8.3446 123.7986 61.3116 33.8577 174.0793 57 E 4.7864 8.9925 126.2796 54.7640 33.8039 173.6254 58 V 4.8734 8.3116 122.2626 61.2739 33.8075 174.4417 59 V 4.4224 8.7155 128.2616 61.6986 35.9838 175.9860 *60 E 4.1603 8.6150 116.6468 56.1167 30.3181 172.4015 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 4.51 0.00 2.18 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 4.51 0.00 2.25 2.02 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 3 R 9.03 4.69 0.00 1.90 1.72 0.00 3.05 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 4 L 9.13 4.98 0.00 1.56 1.52 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.91 4.94 0.00 1.79 1.64 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.37 7.81 6 V 8.59 4.74 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 0.59 0.00 0.00 0.91 0.00 0.00 7 K 8.38 5.34 0.00 1.81 1.60 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.46 7.81 8 L 8.65 4.18 0.00 1.71 1.55 0.92 1.04 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 9 V 8.49 4.16 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 0.74 0.00 0.00 0.90 0.00 0.00 10 K 7.73 4.56 0.00 1.64 1.55 0.00 1.81 0.00 0.00 1.61 0.00 0.00 3.28 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 1.39 7.81 11 S 8.55 4.24 0.00 3.89 3.80 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 12 P 0.00 4.33 0.00 2.24 2.09 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 13 I 7.18 3.76 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.94 0.00 0.00 14 G 8.91 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 4.33 0.00 3.32 2.95 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 16 P 0.00 4.42 0.00 2.32 2.01 0.00 3.91 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 17 K 8.99 3.78 0.00 1.85 1.81 0.00 1.61 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.61 7.81 18 D 8.15 4.45 0.00 2.95 2.98 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 0.00 0.00 0.00 19 Q 7.68 4.04 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 20 K 8.51 4.12 0.00 2.01 1.87 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.64 7.81 21 A 8.07 4.04 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 8.01 3.89 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 23 L 7.59 4.10 0.00 1.85 1.74 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.99 3.91 0.00 1.88 1.94 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.49 7.81 25 A 7.97 3.97 1.33 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 0.00 0.00 26 L 8.02 4.08 0.00 1.64 1.75 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.23 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.39 4.51 0.00 1.63 1.63 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.21 4.12 0.00 1.80 1.87 0.00 3.14 0.00 0.00 3.22 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 30 R 7.33 4.73 0.00 1.86 1.77 0.00 3.20 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 31 L 8.26 4.26 0.00 1.62 1.63 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.03 4.15 0.00 2.16 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 33 Q 7.54 3.93 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 34 E 8.79 4.78 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 2.21 2.27 0.00 35 R 9.24 4.79 0.00 1.78 1.70 0.00 3.10 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 36 V 8.25 5.05 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 0.78 0.00 0.00 0.93 0.00 0.00 37 L 8.93 4.87 0.00 1.49 1.55 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.58 4.56 0.00 1.95 1.86 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 2.25 2.35 0.00 39 D 8.75 4.55 0.00 2.70 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 40 T 8.42 4.63 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 41 P 0.00 3.92 0.00 2.17 2.05 0.00 3.63 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 2.12 2.19 0.00 42 A 8.03 3.98 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 43 I 7.26 3.66 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 1.52 1.00 0.90 0.00 0.00 44 R 8.41 4.03 0.00 2.00 1.99 0.00 3.15 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 45 G 8.21 3.75 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 0.00 0.00 0.00 46 N 8.12 4.42 0.00 2.85 2.88 0.00 0.00 6.80 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 7.61 3.49 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 48 E 9.05 3.92 0.00 2.03 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 2.70 2.41 0.00 49 K 8.12 4.15 0.00 1.73 1.99 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 50 V 7.67 4.08 1.93 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 0.67 0.00 0.00 0.97 0.00 0.00 51 A 7.88 3.91 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 52 H 7.86 4.45 0.00 3.22 3.47 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.24 4.74 0.00 1.46 1.50 0.67 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.53 5.34 2.02 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 0.85 0.00 0.00 0.94 0.00 0.00 55 R 8.63 4.39 0.00 1.79 1.82 0.00 3.14 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 56 V 8.34 4.74 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 0.75 0.00 0.00 0.95 0.00 0.00 57 E 8.99 4.79 0.00 2.03 1.69 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 2.19 2.23 0.00 58 V 8.31 4.87 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 0.89 0.00 0.00 0.93 0.00 0.00 59 V 8.72 4.42 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 0.87 0.00 0.00 0.93 0.00 0.00 *60 E 8.61 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.