NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5243 8.3649 120.5332 53.3097 42.1707 173.8135 4 P 4.2382 0.0000 0.0000 62.0411 30.5089 169.9865 5 V 4.4940 8.5073 120.6814 63.2931 37.4744 176.9410 6 G 3.8180 8.1614 105.6499 46.8721 0.0000 175.5752 7 F 4.3103 8.2464 122.4170 61.4960 39.8078 176.9015 8 A 3.7369 8.2208 119.7191 54.9584 17.8698 179.1526 9 E 3.9527 7.7366 116.3468 59.4280 29.8651 178.9226 10 A 3.9629 8.0725 120.6671 55.2583 18.2578 178.9323 11 W 4.0085 8.3316 127.4898 60.3145 30.8188 178.0975 12 K 4.4462 8.9276 119.4304 58.3666 31.3750 178.7234 13 A 4.0881 7.9178 121.6098 54.4123 18.6716 178.9477 14 Q 3.8664 8.0476 116.2502 57.7559 29.8205 179.1773 15 F 4.5891 7.3265 124.4231 54.7386 38.5557 174.4592 16 P 5.1379 0.0000 0.0000 64.3891 32.2237 177.6902 17 D 4.8208 7.8354 120.7502 51.6496 38.5997 174.2396 18 S 4.5162 7.3437 112.0020 58.2112 65.8570 173.6337 19 E 4.5384 8.6852 120.0509 54.1330 30.9273 173.0789 20 P 2.9700 0.0000 0.0000 61.2941 31.7024 174.5285 21 P 4.0797 0.0000 0.0000 62.0534 30.7183 176.3802 22 R 3.8805 7.9566 122.4513 55.6937 30.7436 176.7998 *24 E 4.1046 8.3463 118.1356 56.7302 29.4524 176.0863 25 L 4.8064 8.0005 126.8688 54.0917 42.6541 179.1332 26 R 3.9257 8.1959 118.1255 58.5359 30.6103 177.4961 27 S 4.7993 7.4355 109.6236 55.7482 66.2054 175.0177 28 V 3.6947 8.3109 119.0599 66.0750 31.0464 177.9631 29 G 3.3930 7.7487 104.5987 47.6215 0.0000 175.1096 30 D 4.4100 8.0762 120.2039 56.8346 41.2242 178.5398 31 I 3.7127 7.4699 120.1188 64.3834 37.3527 177.9836 32 E 4.0706 8.9076 120.0595 59.3560 29.1037 179.2711 33 Q 3.9604 8.1486 119.7746 59.0709 29.1124 177.8836 34 E 3.9287 8.0052 120.2784 59.1261 29.6933 178.5126 35 L 3.9853 8.5109 120.8108 58.1530 42.0918 178.8380 36 E 4.0008 8.3164 118.6673 59.4543 29.2941 179.5311 37 R 3.9699 7.9596 117.7460 58.7448 30.0959 179.0041 38 A 3.9934 8.0145 120.8708 55.1927 18.4510 179.8692 39 K 3.9867 8.0660 116.8541 59.5143 32.2143 179.5425 40 A 4.0075 8.2183 121.1989 55.0195 18.2687 179.6555 41 S 4.0265 8.3805 111.9474 61.6841 62.5491 176.3846 42 I 3.7157 8.2424 122.8795 64.4832 36.9677 178.4447 43 R 3.9347 8.1163 119.7978 59.1891 30.0305 178.6257 44 R 4.1565 7.9811 115.5896 58.9237 29.8274 178.7593 45 L 4.0353 8.5927 120.0202 57.4308 41.6329 179.0543 46 E 3.9803 8.2908 119.5308 59.3391 29.5793 178.9247 47 Q 4.0482 7.7874 116.9513 58.8807 28.8595 178.4436 48 E 4.0309 8.1766 119.5110 59.2525 29.4969 179.5181 49 V 3.6706 7.9336 118.5140 65.8435 31.5481 177.8672 50 N 4.3631 8.1318 116.1795 56.5415 38.4486 177.3545 51 Q 4.1344 8.2617 119.3517 58.9583 28.5249 178.5061 52 E 4.1100 7.8744 119.0678 58.8972 29.7489 178.6372 53 R 4.1232 7.8822 117.7780 58.8680 30.4562 178.3506 54 F 4.4504 8.3156 120.5731 61.2504 39.3590 177.5596 55 R 3.6444 7.8851 115.3882 57.5853 30.0804 177.6999 *57 I 4.0302 7.6885 119.6213 61.1653 39.3682 177.3855 58 Y 3.9485 7.9172 120.5721 60.6433 38.4680 178.0429 59 L 3.6606 7.9806 120.0019 57.7104 41.8503 179.3134 60 Q 3.8664 7.8624 118.9566 59.4122 28.6477 178.3093 61 T 3.7963 7.7507 116.7540 66.5340 68.6435 176.4890 62 L 3.7564 7.8203 122.6438 58.0006 41.9998 178.8088 63 L 3.9247 8.1034 120.2874 57.8472 41.7539 178.7538 64 A 4.0197 7.6572 119.7403 54.4138 18.3468 178.8754 65 K 4.0868 7.4349 116.7699 58.5457 32.4895 178.0366 66 E 4.2835 7.9480 117.4547 56.8665 29.8699 176.3063 67 K 4.1619 7.8076 122.3847 56.7515 32.8423 175.9112 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 3 D 8.36 4.52 0.00 2.69 2.71 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 4 P 0.00 4.24 0.00 2.19 2.28 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 5 V 8.51 4.49 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 1.00 0.00 0.00 0.99 0.00 0.00 6 G 8.16 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 7 F 8.25 4.31 0.00 3.13 3.13 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 8 A 8.22 3.74 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 9 E 7.74 3.95 0.00 2.38 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 2.34 2.63 0.00 10 A 8.07 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.33 4.01 0.00 3.11 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 12 K 8.93 4.45 0.00 1.96 1.94 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.71 7.81 13 A 7.92 4.09 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 14 Q 8.05 3.87 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.96 0.00 0.00 0.00 0.00 0.00 2.05 2.32 0.00 15 F 7.33 4.59 0.00 2.73 2.78 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 16 P 0.00 5.14 0.00 2.18 2.16 0.00 3.32 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 17 D 7.84 4.82 0.00 2.83 2.78 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 18 S 7.34 4.52 0.00 4.33 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 19 E 8.69 4.54 0.00 1.97 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 2.21 2.29 0.00 20 P 0.00 2.97 0.00 1.90 1.83 0.00 3.77 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 1.90 1.96 0.00 21 P 0.00 4.08 0.00 1.97 1.45 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.74 0.00 22 R 7.96 3.88 0.00 1.77 1.86 0.00 3.20 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 *24 E 8.35 4.10 0.00 2.00 2.34 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 2.19 2.27 0.00 25 L 8.00 4.81 0.00 1.54 1.57 0.82 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.20 3.93 0.00 1.78 1.95 0.00 3.14 0.00 0.00 3.27 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 27 S 7.44 4.80 0.00 3.95 3.95 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 28 V 8.31 3.69 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 1.03 0.00 0.00 0.92 0.00 0.00 29 G 7.75 3.39 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 0.00 30 D 8.08 4.41 0.00 2.75 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 31 I 7.47 3.71 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.64 0.87 0.00 0.00 32 E 8.91 4.07 0.00 1.96 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 2.32 2.54 0.00 33 Q 8.15 3.96 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 34 E 8.01 3.93 0.00 2.24 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 2.27 2.35 0.00 35 L 8.51 3.99 0.00 1.82 1.85 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.32 4.00 0.00 2.23 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 37 R 7.96 3.97 0.00 1.82 1.98 0.00 3.12 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 38 A 8.01 3.99 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 39 K 8.07 3.99 0.00 1.84 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.72 7.81 40 A 8.22 4.01 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 41 S 8.38 4.03 0.00 4.00 4.06 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 42 I 8.24 3.72 1.89 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 1.43 0.78 0.93 0.00 0.00 43 R 8.12 3.93 0.00 2.03 1.92 0.00 3.08 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 44 R 7.98 4.16 0.00 2.12 2.16 0.00 2.83 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.67 0.00 45 L 8.59 4.04 0.00 1.69 1.77 0.93 0.81 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 46 E 8.29 3.98 0.00 2.28 1.95 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 2.31 2.40 0.00 47 Q 7.79 4.05 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 48 E 8.18 4.03 0.00 2.06 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 2.34 2.57 0.00 49 V 7.93 3.67 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 1.05 0.00 0.00 1.06 0.00 0.00 50 N 8.13 4.36 0.00 3.03 2.86 0.00 0.00 6.99 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 51 Q 8.26 4.13 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 52 E 7.87 4.11 0.00 2.15 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 2.34 2.41 0.00 53 R 7.88 4.12 0.00 1.93 2.03 0.00 3.26 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 54 F 8.32 4.45 0.00 3.15 3.28 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 55 R 7.89 3.64 0.00 2.20 2.10 0.00 3.22 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 *57 I 7.69 4.03 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.65 0.93 0.00 0.00 58 Y 7.92 3.95 0.00 2.61 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 59 L 7.98 3.66 0.00 1.66 1.62 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.86 3.87 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 61 T 7.75 3.80 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 1.17 0.00 0.00 62 L 7.82 3.76 0.00 1.10 1.49 0.79 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.10 3.92 0.00 1.81 1.75 0.88 1.47 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 64 A 7.66 4.02 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 65 K 7.43 4.09 0.00 1.73 1.92 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.45 7.81 66 E 7.95 4.28 0.00 1.97 1.95 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 2.41 2.39 0.00 67 K 7.81 4.16 0.00 1.84 1.73 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.