NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1667 0.0000 0.0000 62.9579 31.3835 172.7606 3 K 3.5121 8.6273 130.0352 55.3809 29.5281 173.6931 4 M 4.2100 9.0920 125.5877 55.1732 33.6199 175.8921 5 K 4.5397 8.2428 120.9131 54.9943 33.9911 176.5660 6 T 4.0704 8.2067 112.6561 61.3044 69.7799 174.7229 7 H 4.2260 8.7705 124.9632 55.7800 29.6857 175.8398 8 K 3.9944 8.5779 128.7610 59.6273 31.8527 178.9751 9 G 3.5125 8.1783 103.5859 47.9457 0.0000 175.1155 10 A 4.1257 8.1870 122.1254 54.9276 18.5002 179.0590 11 K 3.8190 7.8479 116.7447 59.8907 32.2786 178.5340 12 K 4.3329 8.6436 115.1857 57.1937 31.6620 178.0711 13 R 4.5708 8.1320 114.2403 55.8420 30.6745 174.7462 14 V 4.4489 7.6680 116.0045 61.4520 34.1544 173.0721 15 K 4.5856 8.7076 123.5518 54.9579 35.2668 175.2763 16 I 4.7729 8.0154 120.7488 59.4069 40.4041 174.9194 17 T 4.1679 8.9615 120.6449 60.9944 69.6591 175.4291 18 A 3.9793 8.5972 123.9647 55.6306 18.2565 179.3197 19 S 4.1910 7.9431 109.1450 59.7492 63.1021 174.3355 20 G 3.7255 7.9288 108.2209 46.3149 0.0000 173.4507 21 K 4.5631 8.4016 117.9045 54.3684 35.5424 176.1921 22 V 4.7005 8.3026 122.2953 61.4053 33.8336 174.2707 23 V 5.4764 8.7673 127.7262 60.7552 33.6949 174.3984 24 A 5.2136 8.3912 128.7090 50.4570 23.1334 173.3974 25 M 4.6868 8.3467 116.8657 53.5937 33.5788 176.6698 26 K 3.9689 7.9577 122.5752 57.0928 32.6076 177.0077 27 T 4.1487 8.6059 114.8102 62.1078 70.1554 173.0197 28 G 3.6824 9.5062 111.4386 45.0582 0.0000 172.5916 29 K 4.5176 7.7473 119.1636 57.3923 38.1106 175.4623 30 R 4.7411 7.8809 118.1066 56.2132 31.6256 175.0275 31 H 4.7842 7.7837 125.1751 54.7148 34.7067 176.9422 32 L 3.7185 8.6035 119.3020 57.3790 39.9711 176.5665 33 N 4.2979 7.7733 118.3186 53.7649 39.0060 172.9639 34 W 4.2876 7.3564 135.0000 57.7031 32.6952 174.8362 35 Q 3.9040 6.7058 124.7636 53.0297 28.3599 173.7128 36 K 4.4511 7.5445 120.0321 53.2872 35.8505 176.3126 37 S 4.0886 8.5468 117.7179 57.6420 63.9717 175.8820 38 G 3.5902 8.7145 110.0025 48.7345 0.0000 175.6314 39 K 3.7755 8.3568 121.1035 60.0884 31.7903 177.4027 40 E 3.6368 8.1640 113.5735 61.2076 29.3307 179.1904 41 I 3.8361 7.1477 115.7447 64.4499 38.4668 178.3883 42 R 3.9531 8.1259 119.4547 57.6631 31.1082 177.0530 43 Q 4.5831 7.5760 120.7407 54.4744 26.9681 176.6937 44 K 4.5614 7.4067 119.8272 54.2501 33.0016 176.7684 45 G 4.1791 7.8703 110.8969 43.4361 0.0000 169.6348 46 R 5.0781 8.5642 119.1981 56.3595 30.9471 175.5398 47 K 4.1800 8.0302 117.3890 56.5142 36.0086 174.0495 48 F 5.4876 8.3851 119.2387 56.1660 39.9964 176.2995 49 V 4.2283 8.4500 124.3305 62.1572 32.7287 175.0533 50 L 4.5463 7.9611 125.2225 54.4418 45.0822 176.3907 51 A 3.8430 8.8257 125.0030 52.6183 16.8785 177.6777 52 K 4.4795 7.6816 117.1835 56.3908 34.5649 176.5258 53 P 4.5267 0.0000 0.0000 65.5980 30.5840 177.9700 54 E 3.5148 8.3696 117.7511 58.8265 29.3009 178.5381 55 A 4.0606 7.6682 119.8525 54.2408 19.5291 178.4477 56 E 3.8143 8.2967 116.9190 59.6926 29.5511 179.4523 57 R 4.0272 8.7239 118.3685 59.5525 30.0284 178.9183 58 I 3.7197 6.9371 118.4688 64.5301 37.4010 177.7176 59 K 4.2818 7.9167 117.0724 57.0230 32.9537 176.5191 60 L 4.9125 8.7391 119.2582 52.8233 42.6395 176.0644 61 L 3.9809 7.8122 119.3071 58.0187 40.4919 179.7173 62 L 4.0718 8.9464 118.3420 56.7724 42.4940 177.1061 63 P 4.2109 0.0000 0.0000 64.0454 31.0152 176.3516 64 Y 3.2338 8.2393 118.8408 58.7963 37.6734 171.0998 *65 E 4.1515 8.4690 114.0122 56.4797 30.5285 172.8637 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 P 0.00 4.17 0.00 2.20 2.19 0.00 3.84 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 1.89 1.96 0.00 3 K 8.63 3.51 0.00 2.00 1.92 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.53 7.81 4 M 9.09 4.21 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 5 K 8.24 4.54 0.00 1.74 1.73 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.41 7.81 6 T 8.21 4.07 4.28 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 1.27 0.00 0.00 7 H 8.77 4.23 0.00 3.27 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.58 3.99 0.00 1.77 1.85 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.45 7.81 9 G 8.18 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 4.13 1.39 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 11 K 7.85 3.82 0.00 1.81 2.07 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.54 7.81 12 K 8.64 4.33 0.00 1.95 1.85 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.54 7.81 13 R 8.13 4.57 0.00 1.82 1.94 0.00 3.11 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.54 0.00 14 V 7.67 4.45 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 0.71 0.00 0.00 1.02 0.00 0.00 15 K 8.71 4.59 0.00 1.76 1.78 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.37 7.81 16 I 8.02 4.77 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.88 0.92 0.00 0.00 17 T 8.96 4.17 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 1.40 0.00 0.00 18 A 8.60 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 19 S 7.94 4.19 0.00 3.83 3.88 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 20 G 7.93 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 0.00 0.00 0.00 0.00 21 K 8.40 4.56 0.00 1.78 1.52 0.00 1.56 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.99 1.21 7.81 22 V 8.30 4.70 2.13 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 1.00 0.00 0.00 0.95 0.00 0.00 23 V 8.77 5.48 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 0.85 0.00 0.00 1.03 0.00 0.00 24 A 8.39 5.21 1.23 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 0.00 0.00 25 M 8.35 4.69 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 26 K 7.96 3.97 0.00 1.64 1.79 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.57 7.81 27 T 8.61 4.15 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 28 G 9.51 3.68 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 0.00 0.00 0.00 29 K 7.75 4.52 0.00 1.69 1.78 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.41 7.81 30 R 7.88 4.74 0.00 1.82 1.90 0.00 3.50 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 31 H 7.78 4.78 0.00 3.17 2.28 0.00 5.79 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.60 3.72 0.00 1.76 1.68 0.82 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.77 4.30 0.00 2.73 2.95 0.00 0.00 6.96 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 7.36 4.29 0.00 3.20 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 6.71 3.90 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.47 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 36 K 7.54 4.45 0.00 1.67 1.74 0.00 1.90 0.00 0.00 1.77 0.00 0.00 3.32 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.40 7.81 37 S 8.55 4.09 0.00 3.95 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 38 G 8.71 3.59 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 0.00 0.00 0.00 39 K 8.36 3.78 0.00 1.81 1.81 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.54 7.81 40 E 8.16 3.64 0.00 2.13 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 2.34 2.47 0.00 41 I 7.15 3.84 1.87 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 1.50 0.51 0.97 0.00 0.00 42 R 8.13 3.95 0.00 1.81 2.13 0.00 3.39 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 43 Q 7.58 4.58 0.00 2.42 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 44 K 7.41 4.56 0.00 1.73 1.66 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.47 7.81 45 G 7.87 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 46 R 8.56 5.08 0.00 1.57 1.79 0.00 3.25 0.00 0.00 3.86 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.44 0.00 47 K 8.03 4.18 0.00 1.72 1.79 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.41 7.81 48 F 8.39 5.49 0.00 3.03 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 49 V 8.45 4.23 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 0.73 0.00 0.00 1.02 0.00 0.00 50 L 7.96 4.55 0.00 1.71 1.43 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.83 3.84 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 52 K 7.68 4.48 0.00 1.89 1.75 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.37 7.81 53 P 0.00 4.53 0.00 2.30 2.31 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 54 E 8.37 3.51 0.00 2.01 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 0.00 2.38 2.38 0.00 55 A 7.67 4.06 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 56 E 8.30 3.81 0.00 2.03 2.03 0.00 0.00 0.00 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 2.44 0.00 57 R 8.72 4.03 0.00 1.93 1.92 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 58 I 6.94 3.72 2.05 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 1.60 0.75 0.91 0.00 0.00 59 K 7.92 4.28 0.00 1.94 1.83 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.46 1.44 7.81 60 L 8.74 4.91 0.00 1.69 1.61 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.81 3.98 0.00 1.89 1.75 1.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.95 4.07 0.00 1.69 1.81 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.21 0.00 2.22 2.25 0.00 4.01 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.07 0.00 64 Y 8.24 3.23 0.00 3.05 3.02 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 0.00 0.00 0.00 *65 E 8.47 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.