NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3157 8.1114 123.5810 51.5071 20.7365 178.4010 3 G 3.2541 8.3070 106.1993 48.1199 0.0000 174.0470 4 F 4.7389 8.0813 117.2361 56.9918 40.7351 176.5846 5 C 4.1834 7.9104 122.7258 59.8784 41.5310 175.3606 6 E 3.8291 8.1016 120.6632 59.1449 29.3005 178.8969 7 V 3.4629 7.6951 118.8025 64.5911 31.6161 178.4700 8 C 3.6503 7.8540 119.3813 59.2207 44.1879 175.2953 9 K 3.7831 8.1291 119.8075 59.7227 31.8620 179.5058 10 K 3.8772 7.8250 118.3313 59.3368 31.9176 179.2844 11 L 4.0294 8.2666 121.0653 58.2643 42.1072 179.1902 12 V 3.8705 8.5344 118.7869 65.5387 31.3972 178.1819 13 G 3.6862 8.2766 106.0717 48.1189 0.0000 175.0876 14 Y 4.1311 7.8238 120.6341 60.2174 38.9999 177.4474 15 L 3.7166 8.0533 119.8097 57.5867 41.5469 178.7381 16 D 4.3041 7.9264 117.8686 57.5204 41.2890 178.3931 17 R 4.0717 7.4674 116.7081 57.9347 30.2143 176.2418 18 N 4.8117 7.8749 112.1508 52.3100 40.0140 173.7178 19 L 4.6998 7.3938 119.4138 52.8788 45.2245 175.5462 20 E 4.2877 8.3830 124.0030 55.6557 30.3340 177.8090 21 K 4.3119 8.6101 119.0169 57.9651 31.7862 177.0477 22 N 5.0129 8.1623 114.6262 52.6676 39.8960 174.8650 23 S 4.3476 8.0655 114.5402 58.9977 63.5893 174.2996 24 T 4.3276 9.7088 114.2286 60.8726 70.0350 176.0856 25 K 3.9718 8.6906 122.4873 60.2289 31.9279 179.1527 26 Q 4.0478 8.0886 117.2676 58.4187 28.6916 177.9298 27 E 4.1494 8.4526 119.8975 58.5466 29.7609 178.8174 28 I 3.8101 7.6445 119.7333 63.9829 37.1587 177.5963 29 L 3.8770 8.1504 121.1573 58.0603 41.6497 178.5414 30 A 3.9984 7.8157 120.1991 55.3480 18.2627 179.3743 31 A 4.1214 7.9722 118.7699 55.5241 18.3005 179.6781 32 L 4.0340 8.1465 116.3523 58.0805 41.8455 178.9911 33 E 4.3355 8.3554 115.2987 56.9345 29.9454 177.1731 34 K 4.5923 7.7738 116.7914 56.1265 34.5811 178.5208 35 G 3.7095 8.4601 108.6770 48.5358 0.0000 175.3083 36 C 4.2900 8.1545 117.4990 59.6270 40.4380 175.2674 37 S 4.0412 7.4020 110.7335 59.4318 62.5760 174.5494 38 F 4.6140 7.2458 119.0485 57.6270 39.6754 176.0653 39 L 4.3726 7.3070 120.5069 52.8856 42.6303 174.8707 40 P 4.4010 0.0000 0.0000 63.1220 32.4407 177.0319 41 D 4.4174 9.0388 121.0426 57.6620 40.5141 177.9497 42 P 4.1876 0.0000 0.0000 65.4693 31.4989 177.3755 43 Y 4.3899 8.0060 113.9763 58.8554 38.1942 177.0582 44 Q 3.9914 7.9945 121.2046 59.6534 29.2161 178.7032 45 K 4.1862 8.0019 118.6131 59.3988 32.0906 179.1431 46 Q 4.2084 8.1274 119.6246 59.1727 29.1235 178.4544 47 C 4.4804 8.7044 120.2253 59.8196 40.7081 174.8694 48 D 4.4229 8.2324 118.8194 54.7371 39.0845 177.6905 49 Q 4.0074 7.7777 121.3867 58.8715 29.0683 177.1144 50 F 3.4491 8.0540 120.8371 61.1449 39.4618 176.8718 51 V 3.2107 7.9484 116.4950 65.8892 31.3652 177.6207 52 A 4.0772 7.3989 119.1469 54.6360 18.1859 178.3963 53 E 4.1373 7.1831 115.0618 56.9762 29.7272 177.1297 *55 E 4.2323 8.0125 119.1673 55.7415 31.9535 176.1118 56 P 4.1826 0.0000 0.0000 65.8765 31.3351 178.8375 57 V 3.7000 7.6315 110.3315 63.9072 31.5072 178.2778 58 L 3.9498 7.8330 118.4391 58.0492 41.6754 179.3704 59 I 3.6674 7.9272 119.5319 64.5202 36.8772 177.9678 60 E 3.9987 7.9145 118.6943 59.2407 29.5577 178.1497 61 I 4.0812 7.9367 118.0165 63.2686 38.2174 177.2403 62 L 4.8120 8.0543 119.5556 56.1359 41.5394 179.1457 63 V 3.8077 7.3025 111.1179 63.6779 31.5106 177.6312 64 E 4.2877 8.2034 118.5681 56.9909 30.5482 176.6155 65 V 4.5796 7.0374 117.0517 60.3742 34.5942 175.4270 66 M 4.6404 8.4734 119.2247 54.6592 33.3453 175.6792 67 D 4.4141 8.1239 119.9094 53.7838 42.1163 174.7078 68 P 4.3068 0.0000 0.0000 66.0194 31.5792 178.1938 69 S 4.0645 8.1223 112.6017 61.2185 62.2803 175.8557 70 F 4.3000 8.7857 123.2653 60.9769 39.1887 177.4277 71 V 3.4269 8.4176 118.3986 66.2778 31.3450 177.4721 72 C 4.3702 8.2014 116.2163 59.6723 34.8672 175.7623 73 L 3.9499 7.3885 120.8347 58.1196 41.5354 178.8490 74 K 3.7114 7.3483 118.8088 59.2676 32.1221 178.1829 75 I 4.0144 7.4208 111.5827 61.6570 37.9767 176.7585 76 G 4.0043 7.7268 108.0075 45.1368 0.0000 174.4439 77 A 4.0967 8.0203 123.1751 54.2737 18.5141 177.0412 78 C 4.7194 8.0034 113.6419 54.8591 40.3596 172.0501 79 P 4.4645 0.0000 0.0000 62.6458 31.2092 175.9047 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 A 8.11 4.32 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 3 G 8.31 3.25 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 0.00 4 F 8.08 4.74 0.00 3.10 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 5 C 7.91 4.18 0.00 3.16 3.20 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 0.00 0.00 0.00 0.00 6 E 8.10 3.83 0.00 2.08 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 2.38 2.36 0.00 7 V 7.70 3.46 2.44 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 0.90 0.00 0.00 1.02 0.00 0.00 8 C 7.85 3.65 0.00 2.48 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 9 K 8.13 3.78 0.00 1.92 1.85 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.61 7.81 10 K 7.83 3.88 0.00 1.75 1.62 0.00 0.69 0.00 0.00 1.19 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.44 7.81 11 L 8.27 4.03 0.00 1.83 1.91 0.99 1.06 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 12 V 8.53 3.87 2.14 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 1.02 0.00 0.00 1.12 0.00 0.00 13 G 8.28 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 0.00 0.00 0.00 14 Y 7.82 4.13 0.00 3.03 3.10 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 0.00 0.00 0.00 15 L 8.05 3.72 0.00 1.93 1.66 1.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.93 4.30 0.00 2.86 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 17 R 7.47 4.07 0.00 1.99 1.98 0.00 3.25 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 18 N 7.87 4.81 0.00 2.14 2.42 0.00 0.00 6.68 7.73 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 19 L 7.39 4.70 0.00 1.69 1.41 0.82 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.38 4.29 0.00 2.01 1.81 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 0.00 2.35 2.24 0.00 21 K 8.61 4.31 0.00 1.72 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.43 1.40 7.81 22 N 8.16 5.01 0.00 2.64 2.75 0.00 0.00 6.91 7.32 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 23 S 8.07 4.35 0.00 3.84 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 24 T 9.71 4.33 4.41 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 1.21 0.00 0.00 25 K 8.69 3.97 0.00 1.86 1.93 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.64 7.81 26 Q 8.09 4.05 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 27 E 8.45 4.15 0.00 2.06 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 2.29 2.34 0.00 28 I 7.64 3.81 1.87 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 1.52 0.69 0.92 0.00 0.00 29 L 8.15 3.88 0.00 1.87 1.83 0.91 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 30 A 7.82 4.00 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.97 4.12 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 32 L 8.15 4.03 0.00 1.84 1.77 0.90 0.95 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 33 E 8.36 4.34 0.00 1.95 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 2.34 2.51 0.00 34 K 7.77 4.59 0.00 2.13 2.06 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.60 7.81 35 G 8.46 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.15 4.29 0.00 2.98 3.15 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 0.00 0.00 0.00 0.00 37 S 7.40 4.04 0.00 3.76 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.25 4.61 0.00 2.62 2.94 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 0.00 0.00 0.00 39 L 7.31 4.37 0.00 1.75 1.62 0.87 1.40 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 40 P 0.00 4.40 0.00 2.42 2.10 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 41 D 9.04 4.42 0.00 2.76 2.75 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 42 P 0.00 4.19 0.00 1.68 1.92 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 43 Y 8.01 4.39 0.00 3.26 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 44 Q 7.99 3.99 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 45 K 8.00 4.19 0.00 1.82 1.88 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.45 7.81 46 Q 8.13 4.21 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.84 2.58 0.00 47 C 8.70 4.48 0.00 3.19 3.41 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 48 D 8.23 4.42 0.00 3.01 2.90 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 49 Q 7.78 4.01 0.00 2.36 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 50 F 8.05 3.45 0.00 2.41 3.26 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 51 V 7.95 3.21 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 0.83 0.00 0.00 0.96 0.00 0.00 52 A 7.40 4.08 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 53 E 7.18 4.14 0.00 1.92 1.82 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 2.30 2.30 0.00 *55 E 8.01 4.23 0.00 2.08 2.28 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 2.20 2.27 0.00 56 P 0.00 4.18 0.00 2.13 2.12 0.00 3.49 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 57 V 7.63 3.70 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 0.80 0.00 0.00 0.88 0.00 0.00 58 L 7.83 3.95 0.00 1.74 1.69 0.51 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.93 3.67 1.91 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 1.40 0.98 0.90 0.00 0.00 60 E 7.91 4.00 0.00 2.01 2.23 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 2.33 2.33 0.00 61 I 7.94 4.08 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 1.02 0.00 0.00 62 L 8.05 4.81 0.00 1.70 1.73 0.98 0.89 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 63 V 7.30 3.81 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 0.74 0.00 0.00 1.02 0.00 0.00 64 E 8.20 4.29 0.00 2.15 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 2.33 2.33 0.00 65 V 7.04 4.58 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 1.01 0.00 0.00 1.01 0.00 0.00 66 M 8.47 4.64 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 67 D 8.12 4.41 0.00 2.74 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 68 P 0.00 4.31 0.00 2.32 2.30 0.00 3.80 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 69 S 8.12 4.06 0.00 3.94 4.14 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 70 F 8.79 4.30 0.00 3.23 3.15 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 0.00 0.00 0.00 0.00 71 V 8.42 3.43 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 1.01 0.00 0.00 1.14 0.00 0.00 72 C 8.20 4.37 0.00 3.01 3.10 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 0.00 0.00 0.00 73 L 7.39 3.95 0.00 1.87 1.61 0.98 0.29 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 74 K 7.35 3.71 0.00 0.93 1.44 0.00 1.93 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.37 7.81 75 I 7.42 4.01 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.78 0.92 0.00 0.00 76 G 7.73 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.02 4.10 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 78 C 8.00 4.72 0.00 2.93 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 79 P 0.00 4.46 0.00 2.15 2.02 0.00 3.53 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 1.97 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.