NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4228 8.2027 119.6403 55.6269 31.8814 174.6624 3 S 4.9305 7.8758 112.8856 55.0399 65.1853 171.6507 4 I 4.7973 8.8906 120.2837 59.0104 41.9828 173.4231 5 N 4.6610 9.3574 121.7243 54.1390 40.0825 177.5909 6 F 3.4845 9.0257 126.7653 60.3680 41.8080 178.2979 7 R 3.9126 8.2919 117.8602 59.7306 30.1180 179.0110 8 T 3.8724 8.0606 114.7831 66.5351 68.1507 176.3124 9 A 3.8953 7.7196 121.7442 55.1605 18.5571 178.9945 10 R 3.9473 7.3437 115.6190 59.8456 30.1095 178.4682 11 G 3.8173 7.8589 103.4732 46.0869 0.0000 173.5648 12 N 5.0868 8.1047 118.9630 52.5707 39.7251 176.8149 13 L 3.9279 8.2792 121.7363 58.1728 42.5128 178.0242 14 S 4.2546 8.0320 111.5229 61.2209 63.2785 175.3598 15 E 4.1044 8.2077 120.4987 59.2088 29.6866 180.0790 16 V 3.5065 7.5651 118.9429 62.7758 31.0372 177.4577 *18 N 4.7057 8.2960 117.3706 53.0134 40.8255 176.8311 19 N 4.3018 8.2510 115.6225 56.2708 38.7160 177.4252 20 V 4.0610 7.7091 120.8208 65.6231 31.4107 177.6441 21 E 3.9295 8.1532 116.7068 59.2448 29.5454 178.2001 22 A 4.1982 7.8433 120.0593 53.7586 18.4777 176.8109 23 G 3.3266 6.9267 105.6676 45.1543 0.0000 173.6940 24 E 4.3892 8.2818 121.2932 55.7794 31.4946 175.6940 25 E 4.8156 8.5914 120.6785 54.6324 31.3879 174.6272 26 V 4.0648 8.2891 124.7875 61.7527 33.2963 174.5841 27 E 4.6749 9.3082 129.4293 55.9200 31.6263 175.3994 28 I 5.0146 8.8410 127.0660 59.6453 39.5175 175.1602 29 T 4.5599 8.4958 117.6058 61.5436 70.5103 173.8080 30 R 4.7655 8.1777 121.9799 54.9655 32.6623 174.8676 31 R 3.9964 8.8291 126.5449 59.1821 31.0960 177.4943 32 G 3.4343 8.0481 105.8265 46.7730 0.0000 175.7901 33 R 4.4741 8.2767 123.2243 54.0799 33.4170 175.9928 34 E 4.0626 8.5244 116.2416 56.6217 29.8179 174.7377 35 P 4.7894 0.0000 0.0000 62.2539 33.6340 173.8260 36 A 4.9341 8.5453 120.0922 50.1363 22.9161 175.0760 37 V 4.8595 8.2235 117.3775 61.3763 34.8084 174.4565 38 I 4.6042 8.8792 127.7495 59.6722 39.4526 174.6150 39 A 5.0360 8.2925 126.8626 49.9922 22.8715 175.7690 40 S 4.2454 8.5406 113.2851 57.8790 64.1087 175.5107 41 K 3.9299 8.7068 122.6130 59.5798 32.0206 178.9014 42 A 3.9800 7.9856 120.8199 55.4364 18.2745 179.6265 43 T 3.4943 7.4463 106.9833 64.7208 68.9029 176.2469 44 F 3.9276 8.0401 123.8152 61.2871 39.4029 177.0305 45 E 4.0444 8.8667 117.9767 59.3072 29.1090 179.3943 46 A 4.0050 7.7448 120.8582 55.2183 18.4896 179.3439 47 Y 4.2487 7.8680 115.5644 61.0599 37.9521 178.2280 48 K 3.7201 8.1686 121.0373 59.2432 32.0694 178.6844 49 K 3.9168 7.9170 119.2860 58.9119 32.1315 178.6222 50 A 3.9206 7.8093 120.7969 54.9998 18.2310 179.5181 51 A 3.7680 7.7671 118.9007 55.1495 18.5235 179.4672 52 L 3.4406 7.6077 118.8089 58.3801 42.1087 178.8262 53 D 4.2066 8.1387 118.7475 57.3725 40.7839 178.8405 54 A 3.9388 7.7951 121.1936 54.8717 18.3535 179.1842 55 E 3.7673 8.0894 117.9780 59.5988 29.5990 179.1980 56 F 4.0658 7.8594 117.4592 60.2439 38.7598 177.4417 57 A 4.0645 7.9085 120.4198 55.3955 18.1391 179.9656 58 S 4.0507 7.9596 113.4256 61.4664 62.9393 176.4345 59 L 3.9373 7.7310 123.0379 58.4667 41.5769 179.1745 60 F 4.6025 7.9593 116.2910 60.6608 38.8751 177.1162 61 D 4.5834 8.3566 117.9842 57.8441 40.7595 178.6267 62 T 4.0977 8.2046 115.1934 65.7468 68.7655 175.8817 63 L 4.7765 7.9454 120.1853 54.4824 43.1719 178.5506 64 D 4.3773 8.1380 120.3078 57.5354 41.3068 177.3867 65 S 4.1021 7.9773 115.0539 62.1710 62.9292 176.7925 66 T 3.9234 7.8468 117.7624 66.4347 67.9803 176.4892 67 N 4.2586 8.0070 117.8101 56.3184 39.0416 177.1659 68 K 4.0439 8.0928 119.8062 59.3456 32.0857 179.0872 69 E 3.9695 8.2997 119.4856 59.3703 29.5387 178.8785 70 L 3.9938 8.1371 118.9383 57.5179 41.3242 179.5703 71 V 3.6054 7.1670 116.8906 65.3412 31.3699 176.2189 72 N 4.8273 7.9392 113.3795 52.9391 38.7056 175.1763 73 R 4.2140 7.5565 123.8920 56.3516 30.3359 176.0941 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 2 Q 8.20 4.42 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 3 S 7.88 4.93 0.00 3.91 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 4 I 8.89 4.80 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 0.92 0.00 0.00 5 N 9.36 4.66 0.00 2.92 2.77 0.00 0.00 6.64 7.71 0.00 0.00 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 F 9.03 3.48 0.00 3.20 3.04 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 7 R 8.29 3.91 0.00 1.99 2.03 0.00 3.27 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 8 T 8.06 3.87 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 9 A 7.72 3.90 1.28 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 10 R 7.34 3.95 0.00 1.74 1.95 0.00 3.05 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 11 G 7.86 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 0.00 0.00 0.00 12 N 8.10 5.09 0.00 2.81 2.89 0.00 0.00 6.52 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.28 3.93 0.00 1.68 1.66 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.03 4.25 0.00 4.00 3.98 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 15 E 8.21 4.10 0.00 2.22 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 0.00 2.39 2.28 0.00 16 V 7.57 3.51 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 0.94 0.00 0.00 0.98 0.00 0.00 *18 N 8.30 4.71 0.00 3.01 2.88 0.00 0.00 7.01 6.92 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 19 N 8.25 4.30 0.00 2.90 3.01 0.00 0.00 6.58 7.81 0.00 0.00 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 V 7.71 4.06 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 1.32 0.00 0.00 0.97 0.00 0.00 21 E 8.15 3.93 0.00 1.97 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 0.00 2.28 2.43 0.00 22 A 7.84 4.20 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.93 3.33 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 0.00 24 E 8.28 4.39 0.00 2.04 1.88 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 2.31 2.29 0.00 25 E 8.59 4.82 0.00 1.85 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 0.00 2.26 2.31 0.00 26 V 8.29 4.06 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 0.96 0.00 0.00 0.94 0.00 0.00 27 E 9.31 4.67 0.00 2.09 1.89 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 2.31 2.40 0.00 28 I 8.84 5.01 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.12 0.96 0.00 0.00 29 T 8.50 4.56 4.26 0.00 0.00 0.00 0.00 0.00 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 30 R 8.18 4.77 0.00 1.85 1.80 0.00 3.48 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 31 R 8.83 4.00 0.00 1.72 1.83 0.00 3.25 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 32 G 8.05 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.28 4.47 0.00 1.81 1.92 0.00 3.23 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 34 E 8.52 4.06 0.00 2.08 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 2.29 2.32 0.00 35 P 0.00 4.79 0.00 2.12 2.14 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 36 A 8.55 4.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.86 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.97 0.00 0.00 38 I 8.88 4.60 1.86 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 1.13 1.31 0.87 0.00 0.00 39 A 8.29 5.04 1.25 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 0.00 0.00 0.00 40 S 8.54 4.25 0.00 3.99 3.99 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 0.00 0.00 0.00 41 K 8.71 3.93 0.00 1.82 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.52 7.81 42 A 7.99 3.98 1.30 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 0.00 0.00 43 T 7.45 3.49 3.73 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 0.00 0.00 1.10 0.00 0.00 44 F 8.04 3.93 0.00 3.21 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.87 4.04 0.00 2.05 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 2.61 2.57 0.00 46 A 7.74 4.00 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 47 Y 7.87 4.25 0.00 2.88 2.73 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 0.00 0.00 0.00 48 K 8.17 3.72 0.00 1.38 1.78 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.30 7.81 49 K 7.92 3.92 0.00 1.89 1.89 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.42 7.81 50 A 7.81 3.92 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 51 A 7.77 3.77 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 3.44 0.00 1.68 1.39 0.62 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.14 4.21 0.00 2.85 2.69 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 54 A 7.80 3.94 1.30 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 0.00 0.00 55 E 8.09 3.77 0.00 2.00 1.79 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 2.27 2.29 0.00 56 F 7.86 4.07 0.00 3.01 2.25 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 0.00 57 A 7.91 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.96 4.05 0.00 3.89 3.91 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 59 L 7.73 3.94 0.00 1.82 1.58 0.94 1.00 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 60 F 7.96 4.60 0.00 3.22 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 61 D 8.36 4.58 0.00 2.82 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 62 T 8.20 4.10 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 63 L 7.95 4.78 0.00 1.78 1.68 0.98 0.77 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 64 D 8.14 4.38 0.00 3.08 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 65 S 7.98 4.10 0.00 3.91 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 66 T 7.85 3.92 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 1.21 0.00 0.00 67 N 8.01 4.26 0.00 2.90 2.75 0.00 0.00 7.06 6.91 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 68 K 8.09 4.04 0.00 1.96 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.51 7.81 69 E 8.30 3.97 0.00 2.15 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 2.29 2.34 0.00 70 L 8.14 3.99 0.00 1.68 1.69 0.93 0.98 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 71 V 7.17 3.61 2.19 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 0.80 0.00 0.00 0.97 0.00 0.00 72 N 7.94 4.83 0.00 2.73 2.79 0.00 0.00 6.95 7.24 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 73 R 7.56 4.21 0.00 1.73 1.80 0.00 3.35 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.