NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4608 0.0000 0.0000 62.9162 33.5276 177.8211 6 E 3.9078 8.0779 119.9856 57.7563 30.0817 175.7072 7 E 4.0875 8.3135 118.7774 59.4527 30.0027 178.0033 8 H 4.2070 8.2795 117.9922 59.1464 30.0290 176.8236 9 E 3.9956 8.0047 120.0498 59.2335 29.3786 178.5161 10 D 4.4196 7.8676 117.8605 57.2091 40.8206 178.7437 11 I 3.7539 7.5937 120.7094 64.1381 36.8561 178.3650 12 L 4.0504 7.5349 118.9292 57.2431 41.7467 178.7881 13 N 4.4149 8.1775 117.3285 56.6027 38.7747 176.7698 14 K 3.9308 7.9801 119.7726 59.5048 31.5043 177.9592 15 L 4.2592 7.9121 116.8449 55.5628 41.3945 178.4448 16 L 4.1893 7.6291 120.5129 56.5137 42.4592 176.2823 17 D 4.7454 6.9996 114.5363 52.0598 45.0160 173.3375 18 P 4.4694 0.0000 0.0000 62.2522 32.7446 175.7246 *22 Q 4.3591 8.4682 119.1826 56.3990 30.7475 177.5111 23 S 4.1587 7.9712 113.4026 61.6911 62.8409 176.4002 24 E 4.0282 8.1087 121.0993 59.1629 29.2036 179.3396 25 R 3.9827 7.8960 115.8797 59.4908 29.6596 178.9469 26 T 3.9339 7.7133 116.4311 66.2620 67.9859 176.5272 27 E 3.9552 8.0313 121.2246 59.1315 29.4678 178.7341 28 A 4.0979 8.0690 120.9929 54.8479 18.4449 179.6148 29 L 3.9813 7.7496 117.8372 57.8378 41.6930 179.3653 30 Q 4.0404 8.1672 119.5965 59.0530 28.8653 178.3924 31 Q 4.0165 7.7166 118.5235 59.0007 28.8662 178.6715 32 L 4.1463 7.7169 120.0076 57.4412 41.8040 179.4997 33 R 3.9705 8.4758 119.5407 59.1709 29.9300 178.7520 34 V 3.7058 7.8627 118.2115 66.1125 31.5751 177.6513 35 N 4.3669 8.4594 116.8596 56.5302 38.7316 176.3214 36 Y 4.1626 8.2304 121.1777 60.7648 38.9439 178.0134 37 G 3.7322 7.9535 105.6131 47.9848 0.0000 175.5020 38 S 4.0979 8.5580 115.7335 61.0365 62.3659 176.0381 39 F 4.0860 8.3861 123.7325 60.9367 39.0056 177.5142 40 V 3.5589 7.9082 118.1445 65.9570 31.3347 177.9401 41 S 4.0909 8.3919 113.2745 61.4412 61.9858 175.8006 42 E 3.9853 7.9507 120.6587 59.0841 29.5967 177.8489 43 Y 4.1812 8.2281 119.7507 60.8132 39.0424 177.5681 44 N 4.3547 8.6032 117.7168 56.5980 38.5234 177.0989 45 D 4.2035 8.0919 120.1620 57.0870 40.9046 178.2252 *256 L 4.1709 7.7064 119.8596 54.9120 43.9812 177.9534 257 E 3.7760 8.2091 119.1463 59.3634 29.3246 178.7301 258 E 3.9597 8.0226 118.0898 59.3102 29.4148 179.4646 259 K 3.9820 7.7419 118.7422 59.1811 31.9401 179.6580 260 V 3.4795 7.8300 118.3631 65.8804 31.4742 177.7215 261 A 3.9553 8.1973 120.8590 55.5325 18.2406 178.7834 262 H 4.0045 8.3547 116.3658 59.7212 29.8876 177.2881 263 A 3.9841 7.8418 121.9055 55.0101 18.1651 179.7534 264 K 4.0159 8.4483 117.4470 59.2303 32.1005 179.2629 265 E 3.9351 8.3339 120.2668 59.0331 29.3263 178.4033 266 E 3.8819 7.9727 118.5972 59.1556 29.7706 177.9745 267 N 4.4108 7.9015 116.1330 56.6155 39.2562 176.2871 268 L 4.1986 8.0807 121.7546 58.0724 41.9004 179.1136 269 N 4.5076 7.7806 111.7004 54.5753 38.5110 175.5030 *271 H 4.8333 8.1180 120.0020 56.2431 30.8679 176.3823 272 Q 4.2613 8.2108 116.2584 56.3276 28.0294 178.0600 *274 L 4.2080 8.1052 121.4204 55.3599 44.0425 178.1595 275 D 4.4014 8.7706 118.7197 57.7978 40.7642 178.9828 276 Q 3.9873 8.1547 119.6097 59.3099 28.9445 178.3218 277 T 3.8560 7.8385 116.3518 66.6904 68.7147 176.3092 278 L 4.0096 8.1193 120.9639 57.8612 41.3783 179.7053 279 L 4.0192 7.7097 117.9702 57.8158 41.7267 179.1100 280 E 4.0961 8.2483 118.5712 59.2743 29.1851 178.9028 281 L 3.9259 8.0496 119.7573 58.3418 42.1010 178.1439 282 N 4.3885 7.8002 115.4564 56.5710 38.9319 173.9830 283 N 4.4859 7.7871 122.1783 53.7477 39.0625 174.2070 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 5 P 0.00 4.46 0.00 2.26 2.23 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 6 E 8.08 3.91 0.00 2.16 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 2.39 2.48 0.00 7 E 8.31 4.09 0.00 2.08 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 2.41 2.37 0.00 8 H 8.28 4.21 0.00 3.24 3.49 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.00 4.00 0.00 2.21 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 2.32 2.40 0.00 10 D 7.87 4.42 0.00 2.92 2.70 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 11 I 7.59 3.75 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.72 0.90 0.00 0.00 12 L 7.53 4.05 0.00 1.71 1.70 0.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.18 4.41 0.00 2.96 2.97 0.00 0.00 6.72 5.89 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 14 K 7.98 3.93 0.00 1.93 1.98 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 15 L 7.91 4.26 0.00 1.79 1.67 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.63 4.19 0.00 1.91 1.69 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.00 4.75 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.17 2.04 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 *22 Q 8.47 4.36 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 23 S 7.97 4.16 0.00 3.90 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 24 E 8.11 4.03 0.00 2.05 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 2.40 2.42 0.00 25 R 7.90 3.98 0.00 2.03 2.18 0.00 2.96 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 26 T 7.71 3.93 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 27 E 8.03 3.96 0.00 2.18 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 2.31 2.33 0.00 28 A 8.07 4.10 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 29 L 7.75 3.98 0.00 1.67 1.72 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.17 4.04 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 31 Q 7.72 4.02 0.00 2.45 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 32 L 7.72 4.15 0.00 1.83 1.77 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.48 3.97 0.00 2.01 1.94 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 34 V 7.86 3.71 2.32 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 1.05 0.00 0.00 0.99 0.00 0.00 35 N 8.46 4.37 0.00 3.01 2.92 0.00 0.00 6.91 7.09 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 36 Y 8.23 4.16 0.00 3.29 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 37 G 7.95 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 38 S 8.56 4.10 0.00 4.01 4.01 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 0.00 0.00 0.00 39 F 8.39 4.09 0.00 3.31 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 40 V 7.91 3.56 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 1.02 0.00 0.00 0.57 0.00 0.00 41 S 8.39 4.09 0.00 3.93 4.05 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 42 E 7.95 3.99 0.00 2.15 1.96 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 2.20 2.32 0.00 43 Y 8.23 4.18 0.00 3.34 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 44 N 8.60 4.35 0.00 3.04 2.89 0.00 0.00 7.10 8.66 0.00 0.00 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 D 8.09 4.20 0.00 2.88 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 *256 L 7.71 4.17 0.00 1.80 1.55 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 257 E 8.21 3.78 0.00 1.74 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 2.28 2.36 0.00 258 E 8.02 3.96 0.00 2.24 1.96 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 2.31 2.48 0.00 259 K 7.74 3.98 0.00 1.89 1.83 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 260 V 7.83 3.48 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.93 0.00 0.00 261 A 8.20 3.96 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 0.00 262 H 8.35 4.00 0.00 3.32 3.33 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 263 A 7.84 3.98 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 0.00 264 K 8.45 4.02 0.00 1.92 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.56 7.81 265 E 8.33 3.94 0.00 2.14 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 0.00 2.30 2.33 0.00 266 E 7.97 3.88 0.00 1.89 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 2.28 2.32 0.00 267 N 7.90 4.41 0.00 2.87 2.98 0.00 0.00 7.21 7.94 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 0.00 268 L 8.08 4.20 0.00 1.91 1.79 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 269 N 7.78 4.51 0.00 2.90 2.81 0.00 0.00 7.06 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 *271 H 8.12 4.83 0.00 3.34 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 272 Q 8.21 4.26 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.39 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 *274 L 8.11 4.21 0.00 1.73 1.85 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 275 D 8.77 4.40 0.00 2.84 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 0.00 276 Q 8.15 3.99 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 277 T 7.84 3.86 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 278 L 8.12 4.01 0.00 1.84 1.73 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 279 L 7.71 4.02 0.00 1.83 1.73 0.92 0.97 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 0.00 280 E 8.25 4.10 0.00 2.19 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 2.33 2.42 0.00 281 L 8.05 3.93 0.00 1.76 1.95 0.92 0.89 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 0.00 282 N 7.80 4.39 0.00 2.78 3.02 0.00 0.00 7.21 7.39 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 0.00 283 N 7.79 4.49 0.00 2.65 2.67 0.00 0.00 7.10 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 * Residues marked with a * may have inaccurate shift predictions.