NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4512 8.3044 120.3298 55.0471 33.2695 175.0419 1 K 3.9683 8.4669 122.8094 56.7958 32.9889 175.3733 2 S 4.7626 7.4585 112.5733 55.5737 67.0750 172.6328 3 P 4.2818 0.0000 0.0000 66.0859 30.9745 176.8380 4 E 4.4882 8.1124 117.0669 56.4439 29.1980 177.4491 5 E 4.2728 7.9410 119.0184 57.6873 30.1238 177.7880 6 L 4.5555 8.0022 118.4092 58.1924 42.1806 178.9131 7 K 3.4887 8.5668 118.3938 59.2186 32.2871 177.3295 8 G 3.8966 7.4598 108.2977 41.9944 0.0000 172.8815 9 I 4.2484 7.0819 131.0976 60.6028 39.5033 175.0489 10 F 3.6535 7.4789 119.7963 61.7863 39.1930 177.2755 11 E 3.9941 8.2282 119.0376 59.5780 29.6274 179.5746 12 K 4.0601 7.7340 117.4124 60.1943 33.1465 178.3934 13 Y 3.6933 7.9597 115.8371 58.7463 37.9056 175.7753 *15 D 5.2259 7.7770 119.0335 54.2553 42.3440 175.3385 16 K 4.5794 7.7879 112.6004 57.2063 32.5277 178.3860 17 E 4.3498 8.5471 119.8828 56.2151 31.9815 176.1913 18 G 4.0124 8.0554 105.4756 46.6147 0.0000 173.2052 19 D 4.7748 7.5575 115.0350 53.0039 43.3557 176.0943 20 G 4.1767 8.2454 109.4475 45.3322 0.0000 173.0555 *22 Q 5.5362 7.3334 114.6188 56.2267 30.1906 174.0511 23 L 4.8941 8.6266 117.7841 53.2952 44.7892 176.9037 24 S 4.5984 8.7078 117.8503 57.5591 63.7723 174.8656 25 K 3.2356 7.6658 122.7013 58.9934 31.2907 178.9992 26 E 3.9073 7.9411 117.9803 59.4659 29.4889 178.4154 27 E 4.3326 8.2012 116.5337 57.9529 30.0634 178.2867 28 L 4.1668 7.7651 120.6258 57.7159 42.4077 178.2423 29 K 3.8449 8.1787 119.6661 59.6275 31.7412 178.6112 30 L 4.0782 7.7457 117.9507 57.6465 41.9672 178.4240 31 L 2.8972 7.2908 120.1862 56.9237 41.9682 178.8237 32 L 4.3204 7.7554 118.8175 56.8812 41.7905 177.4369 33 Q 4.2740 6.9582 115.2766 57.1328 29.1957 174.7121 34 T 3.7476 8.3870 120.6984 63.4582 66.9154 172.9338 35 E 4.1504 7.7749 118.5544 57.5496 31.0944 176.6733 36 F 5.4525 7.5409 116.7262 55.7789 39.3310 174.3328 37 P 4.3144 0.0000 0.0000 66.2180 32.1996 179.6521 38 S 4.1355 8.3128 114.4953 61.0683 63.0475 176.0695 39 L 4.1628 8.0640 118.7565 58.4485 40.6561 178.0407 40 L 4.8507 7.3263 119.2173 54.3000 42.7937 176.5827 41 K 4.5693 8.2952 113.6277 53.3838 31.8764 173.1516 42 G 3.5987 7.6137 115.8867 45.4467 0.0000 172.2030 43 M 4.5623 7.6817 117.9069 53.1062 34.2222 174.2170 44 S 4.5943 8.6776 109.2465 58.4403 60.1531 170.4981 45 T 4.3227 7.2099 111.8602 61.3359 69.3471 179.7304 46 L 3.1292 7.6623 120.6349 56.0950 43.6747 174.4239 47 D 5.0785 7.9065 124.3231 55.0897 42.5151 177.4922 48 E 4.8065 8.3512 115.6798 53.1269 30.5597 175.8143 49 L 4.9787 7.3463 132.0338 56.9921 41.5167 176.9538 50 F 4.0054 7.5093 122.1575 60.5954 39.5380 177.1325 51 E 4.2294 8.2818 116.3764 58.5231 30.0787 177.5648 52 E 4.1007 8.3255 118.4382 58.6811 29.5917 177.1572 53 L 4.6461 7.4477 115.9156 54.0123 43.9713 175.7417 54 D 4.7095 7.9253 115.0737 54.0753 42.7944 175.6067 55 K 4.7656 7.5635 119.5535 56.6018 30.2148 176.9703 56 N 4.5768 7.7617 114.3903 53.4864 39.8001 175.8415 57 G 4.3636 7.9806 107.0332 45.9983 0.0000 174.3896 58 D 4.5221 8.1857 111.6687 55.3154 42.2445 175.3162 59 G 4.0933 8.5320 102.9649 44.9767 0.0000 174.0419 60 E 5.1701 8.0591 119.3007 55.0519 34.4897 175.9294 61 V 5.0579 8.9148 121.3676 60.6632 34.2330 175.1640 62 S 5.0785 8.3026 124.7767 57.8987 65.5023 174.2062 63 F 3.0161 8.3118 120.0387 61.2345 39.2473 178.3425 64 E 3.8339 7.9387 118.3128 58.6824 29.7872 177.9468 65 E 3.9786 8.0651 117.7835 59.2484 29.8250 177.8999 66 F 3.9041 7.9415 119.3785 59.3240 39.5756 175.8262 67 Q 3.1122 7.0421 118.6850 60.3529 29.0448 178.4824 68 V 3.4688 7.7173 113.3695 63.8839 31.8330 177.6365 69 L 3.5110 6.7757 119.6624 58.3303 41.9673 178.9331 70 V 3.3508 6.3799 111.5140 64.4304 31.3270 178.8372 71 K 4.0090 7.5010 115.9164 58.6392 32.0068 178.6705 72 K 4.0377 7.7691 119.5117 58.1208 32.5939 176.5465 73 I 4.0485 7.0264 120.2847 60.8594 37.4326 175.2442 74 S 4.5672 7.2104 113.6360 58.8024 67.0250 176.2099 75 Q 4.1650 9.0221 117.8455 56.7776 28.4051 176.4003 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 0 M 8.30 4.45 0.00 2.05 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 2.52 2.55 0.00 1 K 8.47 3.97 0.00 1.80 1.84 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.57 7.81 2 S 7.46 4.76 0.00 4.00 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 3 P 0.00 4.28 0.00 2.23 2.25 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 4 E 8.11 4.49 0.00 2.10 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 2.45 2.36 0.00 5 E 7.94 4.27 0.00 2.30 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 0.00 2.38 2.48 0.00 6 L 8.00 4.56 0.00 2.08 2.09 1.08 0.82 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 7 K 8.57 3.49 0.00 1.65 2.07 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.29 1.35 7.81 8 G 7.46 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 9 I 7.08 4.25 2.03 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 1.75 1.33 1.28 0.00 0.00 10 F 7.48 3.65 0.00 2.41 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.23 3.99 0.00 1.90 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 2.01 2.28 0.00 12 K 7.73 4.06 0.00 1.80 1.94 0.00 0.61 0.00 0.00 1.37 0.00 0.00 2.94 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.33 1.66 7.81 13 Y 7.96 3.69 0.00 3.03 3.06 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 0.00 0.00 0.00 0.00 *15 D 7.78 5.23 0.00 2.54 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 16 K 7.79 4.58 0.00 1.79 1.72 0.00 1.38 0.00 0.00 1.48 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.55 1.51 7.81 17 E 8.55 4.35 0.00 1.94 1.90 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 2.17 2.25 0.00 18 G 8.06 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 0.00 0.00 0.00 19 D 7.56 4.77 0.00 2.90 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 20 G 8.25 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.33 5.54 0.00 2.43 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.60 0.00 23 L 8.63 4.89 0.00 1.92 1.67 0.78 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.71 4.60 0.00 3.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.67 3.24 0.00 1.18 1.56 0.00 1.65 0.00 0.00 2.00 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.88 0.70 7.81 26 E 7.94 3.91 0.00 1.89 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 2.28 2.34 0.00 27 E 8.20 4.33 0.00 1.93 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 2.31 2.30 0.00 28 L 7.77 4.17 0.00 2.18 1.91 1.26 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.18 3.84 0.00 1.86 1.91 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.54 7.81 30 L 7.75 4.08 0.00 1.95 1.91 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.29 2.90 0.00 0.80 1.58 0.95 1.29 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 32 L 7.76 4.32 0.00 1.83 1.76 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 6.96 4.27 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 5.64 0.00 0.00 0.00 0.00 0.00 2.69 2.44 0.00 34 T 8.39 3.75 4.31 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 1.25 0.00 0.00 35 E 7.77 4.15 0.00 1.51 1.64 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 2.40 2.39 0.00 36 F 7.54 5.45 0.00 3.30 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.31 0.00 2.25 2.33 0.00 3.90 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 38 S 8.31 4.14 0.00 3.93 4.05 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 39 L 8.06 4.16 0.00 1.74 1.76 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.33 4.85 0.00 1.65 1.74 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.30 4.57 0.00 1.78 1.70 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.35 7.81 42 G 7.61 3.60 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 0.00 0.00 0.00 43 M 7.68 4.56 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 44 S 8.68 4.59 0.00 3.95 4.07 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 45 T 7.21 4.32 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 46 L 7.66 3.13 0.00 1.86 1.89 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.91 5.08 0.00 2.68 2.87 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 48 E 8.35 4.81 0.00 2.12 1.80 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 2.24 2.39 0.00 49 L 7.35 4.98 0.00 1.96 1.94 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.51 4.01 0.00 3.30 3.14 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 0.00 0.00 0.00 0.00 51 E 8.28 4.23 0.00 2.17 2.18 0.00 0.00 0.00 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 2.33 0.00 52 E 8.33 4.10 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 2.19 0.00 53 L 7.45 4.65 0.00 1.29 1.49 0.78 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.93 4.71 0.00 2.44 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 0.00 0.00 0.00 0.00 55 K 7.56 4.77 0.00 1.94 1.77 0.00 1.86 0.00 0.00 1.88 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.53 7.81 56 N 7.76 4.58 0.00 2.70 2.83 0.00 0.00 7.43 7.82 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 57 G 7.98 4.36 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 0.00 58 D 8.19 4.52 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.53 4.09 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 0.00 0.00 0.00 60 E 8.06 5.17 0.00 1.96 1.96 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 2.38 2.57 0.00 61 V 8.91 5.06 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 1.10 0.00 0.00 -0.62 0.00 0.00 62 S 8.30 5.08 0.00 4.02 4.08 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 0.00 0.00 0.00 0.00 63 F 8.31 3.02 0.00 2.64 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.94 3.83 0.00 1.95 1.91 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 2.30 2.37 0.00 65 E 8.07 3.98 0.00 2.04 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 0.00 2.26 2.28 0.00 66 F 7.94 3.90 0.00 3.06 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.04 3.11 0.00 2.08 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.21 0.00 0.00 0.00 0.00 0.00 2.06 2.37 0.00 68 V 7.72 3.47 1.91 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 0.72 0.00 0.00 0.74 0.00 0.00 69 L 6.78 3.51 0.00 0.84 0.13 0.70 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 70 V 6.38 3.35 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 1.06 0.00 0.00 0.74 0.00 0.00 71 K 7.50 4.01 0.00 1.66 1.78 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.45 7.81 72 K 7.77 4.04 0.00 1.70 1.67 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.33 1.41 7.81 73 I 7.03 4.05 1.65 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 0.80 0.41 0.66 0.00 0.00 74 S 7.21 4.57 0.00 3.77 3.69 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 75 Q 9.02 4.16 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.42 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.