NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8403 8.3501 109.7340 44.9606 0.0000 173.2986 3 A 4.1174 7.9575 122.0217 50.6336 19.2561 175.8033 4 Q 4.3629 9.2854 124.8324 54.4473 31.4313 172.6959 5 V 4.5487 8.3117 126.5463 61.3619 33.2367 174.6190 6 S 4.8982 8.2211 123.5936 56.5095 66.8566 173.4980 7 S 5.2235 8.5365 115.9789 57.7676 64.4941 173.6273 8 Q 4.4078 8.9641 121.3185 54.9553 30.0304 176.4668 9 K 4.0689 8.5196 124.0675 55.3122 31.1035 176.0861 10 V 3.6748 8.1316 126.1400 62.0516 31.3642 175.2484 11 G 3.4993 8.1962 119.2251 47.0074 0.0000 172.7410 12 A 4.3128 8.0147 122.3749 51.1795 20.2637 177.0819 13 H 4.9597 8.4342 118.9207 53.8281 31.4317 174.7214 14 E 3.8564 8.7951 124.1200 59.1096 29.7019 176.6946 *23 S 4.2409 7.5658 109.8783 57.8954 64.1257 172.2867 24 T 4.1029 8.2554 114.7667 61.8910 67.7170 173.3677 25 I 4.3602 8.3150 129.5324 60.4731 38.8145 174.8011 26 N 5.6629 8.8217 123.7732 51.7481 41.8021 173.1476 27 Y 5.0015 8.9561 117.3954 55.8772 41.9396 174.1345 28 T 5.0468 8.5931 116.5007 62.2258 71.3618 174.0057 29 T 4.6481 8.7539 121.2615 61.8377 72.5080 172.8475 30 I 4.6449 8.1198 126.3774 59.2855 39.9686 175.0406 31 N 4.2414 8.6025 124.8306 53.1871 39.0421 174.7193 32 Y 4.5291 8.0735 119.6156 58.3261 38.9127 175.0250 33 Y 4.9436 7.5344 116.4182 55.6679 41.2496 175.7684 34 R 4.0142 8.7963 122.3236 58.8443 30.6749 176.4493 35 D 4.7928 8.0334 118.8494 52.5629 41.8554 177.3574 36 S 4.2630 8.8169 119.2543 61.0043 63.1517 176.3526 37 A 4.0387 8.0348 123.1561 55.1688 18.1823 178.6915 38 S 4.1838 8.1325 111.3395 60.7622 63.1679 174.8711 39 N 4.4151 7.7473 117.5530 52.8393 38.6876 174.6592 40 A 4.2131 8.3138 124.1634 51.6754 19.3665 176.6975 41 A 4.3791 8.2409 122.7938 51.4295 19.2515 178.3409 42 S 4.1779 8.7767 117.9666 59.4036 63.3217 175.2290 43 K 4.0516 7.9477 116.1619 56.3767 29.7075 176.4340 44 Q 4.2412 7.8974 120.2159 54.4396 26.8660 174.6232 45 D 4.8423 7.4705 120.4219 52.3477 43.6863 175.9427 46 F 4.5723 8.4296 119.8603 56.3153 40.8045 175.8199 47 S 4.8660 8.4801 119.1193 57.3078 64.6799 173.3432 48 Q 4.6407 8.0597 118.6494 54.1691 31.5948 174.1806 49 D 4.4975 8.4694 118.5834 53.6265 41.8944 175.0719 50 P 4.6083 0.0000 0.0000 64.1505 31.5832 178.3396 51 S 4.1792 8.1237 117.5012 61.3081 62.5840 176.6891 52 K 3.8030 7.7964 119.3278 59.0512 32.1079 177.9488 53 F 4.8482 7.8687 118.2842 59.1965 40.6705 177.4748 54 T 4.3006 7.8831 108.5282 63.0231 70.0109 174.5487 55 E 4.8651 8.4100 120.8744 54.8952 30.0674 175.3532 56 P 4.6764 0.0000 0.0000 63.2263 31.3382 176.7446 57 I 4.1309 7.5392 112.3643 60.3933 38.6649 175.9622 58 K 3.9271 8.7140 123.9757 59.3309 32.2217 176.7334 59 D 4.6223 7.9912 119.6860 53.2741 40.8734 176.0478 60 V 3.2769 7.8554 123.1709 61.7997 31.9143 175.0360 61 L 4.2187 8.4515 128.3963 54.9714 41.4313 176.3262 62 I 4.2209 8.1243 125.0877 59.1310 36.7963 176.3475 63 K 3.9582 8.6358 126.2225 59.3889 32.3382 178.2085 64 T 4.0933 7.8177 108.0268 62.8162 69.4746 174.7949 65 A 4.3833 7.7321 125.2377 49.9889 18.6499 175.1916 66 P 4.2241 0.0000 0.0000 63.3926 31.3848 177.3291 67 M 4.1771 8.8030 122.4388 57.3370 32.4692 175.8447 68 L 4.7574 7.2766 115.6000 52.7356 44.2511 175.8892 69 N 4.5195 8.5763 121.0615 53.8359 39.1759 173.6361 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 G 8.35 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.96 4.12 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 4 Q 9.29 4.36 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 5 V 8.31 4.55 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 0.79 0.00 0.00 0.87 0.00 0.00 6 S 8.22 4.90 0.00 3.21 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.54 5.22 0.00 3.91 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 8 Q 8.96 4.41 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.16 0.00 0.00 0.00 0.00 0.00 2.30 2.60 0.00 9 K 8.52 4.07 0.00 1.71 1.74 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 10 V 8.13 3.67 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 0.62 0.00 0.00 0.92 0.00 0.00 11 G 8.20 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 4.31 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 13 H 8.43 4.96 0.00 3.10 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.80 3.86 0.00 1.93 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 2.30 2.30 0.00 *23 S 7.57 4.24 0.00 4.05 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 24 T 8.26 4.10 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 1.28 0.00 0.00 25 I 8.31 4.36 2.00 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 1.36 0.46 0.99 0.00 0.00 26 N 8.82 5.66 0.00 2.59 2.82 0.00 0.00 6.86 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.96 5.00 0.00 2.95 2.96 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 0.00 0.00 0.00 28 T 8.59 5.05 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 1.18 0.00 0.00 29 T 8.75 4.65 4.15 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 1.17 0.00 0.00 30 I 8.12 4.64 1.77 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.57 0.86 0.00 0.00 31 N 8.60 4.24 0.00 2.63 2.71 0.00 0.00 7.07 7.46 0.00 0.00 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 Y 8.07 4.53 0.00 2.43 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.53 4.94 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.80 4.01 0.00 1.83 2.02 0.00 3.25 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 35 D 8.03 4.79 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.82 4.26 0.00 4.01 4.15 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 A 8.03 4.04 1.29 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 0.00 0.00 38 S 8.13 4.18 0.00 3.96 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.75 4.42 0.00 2.81 2.77 0.00 0.00 6.94 7.30 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 40 A 8.31 4.21 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 41 A 8.24 4.38 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 42 S 8.78 4.18 0.00 4.03 4.04 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 43 K 7.95 4.05 0.00 1.91 1.91 0.00 1.78 0.00 0.00 0.73 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.31 7.81 44 Q 7.90 4.24 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 45 D 7.47 4.84 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.43 4.57 0.00 3.13 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 47 S 8.48 4.87 0.00 3.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.06 4.64 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 49 D 8.47 4.50 0.00 2.65 2.60 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 50 P 0.00 4.61 0.00 2.40 2.40 0.00 3.82 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 2.11 2.10 0.00 51 S 8.12 4.18 0.00 3.93 3.96 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 0.00 0.00 0.00 52 K 7.80 3.80 0.00 1.49 1.64 0.00 0.83 0.00 0.00 1.22 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.67 0.21 7.81 53 F 7.87 4.85 0.00 3.11 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 54 T 7.88 4.30 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 1.29 0.00 0.00 55 E 8.41 4.87 0.00 1.96 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 2.21 2.21 0.00 56 P 0.00 4.68 0.00 2.18 2.23 0.00 3.78 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 2.01 2.10 0.00 57 I 7.54 4.13 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 1.31 0.69 0.91 0.00 0.00 58 K 8.71 3.93 0.00 1.73 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 59 D 7.99 4.62 0.00 2.70 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 60 V 7.86 3.28 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 0.80 0.00 0.00 0.92 0.00 0.00 61 L 8.45 4.22 0.00 1.77 1.66 0.95 0.71 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 62 I 8.12 4.22 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 1.47 0.68 0.91 0.00 0.00 63 K 8.64 3.96 0.00 1.86 1.97 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.45 7.81 64 T 7.82 4.09 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 1.21 0.00 0.00 65 A 7.73 4.38 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 66 P 0.00 4.22 0.00 2.38 2.23 0.00 3.71 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 2.08 1.98 0.00 67 M 8.80 4.18 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 68 L 7.28 4.76 0.00 1.60 1.54 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.58 4.52 0.00 2.61 2.60 0.00 0.00 7.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.