NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4201 8.3349 115.4173 58.4319 64.3224 172.1551 3 S 4.6052 8.3251 116.5325 56.9029 65.1046 172.1573 4 D 5.0266 9.1165 121.9029 53.2811 43.4151 175.3204 5 Y 5.0432 8.4967 118.2756 56.7466 42.0358 175.2783 6 V 4.7516 8.4194 119.8849 61.3746 35.5995 172.7416 *8 A 4.5641 8.5878 120.5259 52.3973 19.8713 177.2513 9 T 4.5378 8.2812 113.0439 60.8291 70.8443 176.3732 10 K 4.1589 8.4051 121.4965 59.5917 31.9830 178.9173 11 D 4.4021 8.2151 117.6423 53.9942 39.6251 176.0769 12 G 4.0632 7.9261 109.7885 46.1901 0.0000 174.9299 13 R 4.2478 8.5092 116.4097 55.3025 29.5769 174.9514 *15 I 4.1226 8.2347 120.2880 62.2306 38.2961 174.2476 16 L 4.7877 8.3858 125.0403 53.6502 43.3399 175.5947 17 T 4.9597 8.1326 110.3704 60.2105 72.5059 173.1128 18 D 4.6421 9.9890 123.1787 55.1420 41.5403 175.4777 19 G 3.7566 8.7779 112.4058 43.7328 0.0000 169.8499 20 K 3.0312 7.9794 120.3891 54.0945 32.4539 175.4317 21 P 4.4674 0.0000 0.0000 62.7173 32.3598 175.4202 22 E 4.4203 9.4278 125.0945 54.7691 31.2346 174.7542 23 I 4.3244 8.3325 128.7644 60.5672 38.2795 175.2862 24 D 4.7191 8.8452 128.9070 52.6571 41.2504 176.7240 25 D 4.4925 8.7492 126.1231 56.2966 41.1720 177.5103 26 D 4.6294 8.4107 118.5331 55.3436 41.3280 177.1751 27 T 4.3439 8.1907 107.3045 60.6981 70.9229 175.1118 28 G 3.9135 8.9152 110.0779 45.1932 0.0000 172.1334 29 L 5.1771 7.7231 118.2374 52.4938 45.5783 175.6169 30 V 4.7715 8.9171 122.3281 61.4962 33.7214 174.4207 31 S 5.1962 8.9646 124.8239 57.3833 65.0677 173.1626 32 Y 4.8689 7.8557 120.4092 56.3671 41.9751 172.7752 33 H 5.1031 8.8075 115.3203 54.0687 31.4068 174.0709 34 D 5.2069 8.2780 124.2166 52.5627 41.3575 176.9328 35 Q 4.3518 8.2933 117.7718 53.7056 27.1802 175.5456 36 Q 4.6096 8.0136 115.0760 55.7072 31.4484 176.0060 37 G 3.9626 8.6707 107.5741 45.8359 0.0000 174.8513 38 N 4.1162 8.0243 117.4248 53.7606 38.9794 174.5278 39 A 4.8595 8.0529 124.6833 50.8779 19.9359 176.3636 *41 Q 4.4589 8.1470 117.5956 56.1755 30.3390 174.8900 42 I 4.6341 8.3992 121.0014 59.4741 42.2489 173.7067 43 N 4.6962 9.0229 126.1784 53.8204 39.2095 176.0302 44 R 3.8718 9.0666 124.0062 59.5012 30.3357 177.8313 45 D 4.5674 8.0625 113.7680 54.5979 39.6507 176.0427 46 D 4.6999 8.1722 119.8719 54.3245 41.7042 175.8585 47 V 4.6149 8.0054 120.0420 60.8662 33.5916 175.0262 48 S 4.6819 8.6504 120.3136 58.8300 64.9193 174.4525 49 Q 4.5575 7.7861 117.4085 54.0844 32.6724 175.1495 50 I 4.5557 8.4242 123.4609 59.6192 39.2636 174.4957 51 I 4.1344 8.6794 128.9195 60.3406 38.6325 174.6315 52 E 4.0240 8.6120 127.8958 54.2124 31.4534 175.2401 53 R 4.2456 8.5616 129.4885 54.6855 30.7912 175.3082 54 L 4.2255 8.2431 127.0644 54.7625 42.1391 176.9975 55 E 4.2010 8.5651 124.3243 55.8263 30.6138 175.3450 56 H 4.8686 8.4825 121.0889 54.2730 32.2106 172.5912 57 H 4.8867 8.6103 119.2748 54.0168 30.9737 172.7911 58 H 4.5031 8.9920 122.6133 56.1032 29.7567 173.9721 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 S 8.33 4.42 0.00 4.06 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 3 S 8.33 4.61 0.00 3.64 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 4 D 9.12 5.03 0.00 2.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.50 5.04 0.00 3.06 2.81 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 0.00 0.00 0.00 6 V 8.42 4.75 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 1.22 0.00 0.00 0.92 0.00 0.00 *8 A 8.59 4.56 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.54 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 1.18 0.00 0.00 10 K 8.41 4.16 0.00 1.67 1.91 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.39 7.81 11 D 8.22 4.40 0.00 2.78 2.80 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 12 G 7.93 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 0.00 0.00 0.00 13 R 8.51 4.25 0.00 2.00 1.86 0.00 3.22 0.00 0.00 3.29 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 *15 I 8.23 4.12 1.66 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 1.41 0.74 0.66 0.00 0.00 16 L 8.39 4.79 0.00 1.53 1.62 0.92 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 17 T 8.13 4.96 4.51 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 1.09 0.00 0.00 18 D 9.99 4.64 0.00 2.66 2.80 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 19 G 8.78 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.98 3.03 0.00 1.34 1.51 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.09 0.92 7.81 21 P 0.00 4.47 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 22 E 9.43 4.42 0.00 1.95 1.79 0.00 0.00 0.00 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 2.23 0.00 23 I 8.33 4.32 1.86 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 1.22 0.66 0.96 0.00 0.00 24 D 8.85 4.72 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.75 4.49 0.00 2.71 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 26 D 8.41 4.63 0.00 2.87 2.72 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 27 T 8.19 4.34 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 1.29 0.00 0.00 28 G 8.92 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.72 5.18 0.00 1.56 1.55 1.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.92 4.77 2.24 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 1.05 0.00 0.00 0.94 0.00 0.00 31 S 8.96 5.20 0.00 3.80 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 32 Y 7.86 4.87 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 33 H 8.81 5.10 0.00 3.42 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.28 5.21 0.00 2.90 2.83 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 35 Q 8.29 4.35 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 7.59 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 36 Q 8.01 4.61 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.87 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 37 G 8.67 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 0.00 0.00 0.00 38 N 8.02 4.12 0.00 3.19 2.72 0.00 0.00 6.72 8.24 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 39 A 8.05 4.86 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.15 4.46 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.59 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 42 I 8.40 4.63 2.08 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 1.27 1.15 1.08 0.00 0.00 43 N 9.02 4.70 0.00 2.92 3.01 0.00 0.00 6.77 7.66 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 44 R 9.07 3.87 0.00 1.94 1.93 0.00 3.09 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 45 D 8.06 4.57 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.70 0.00 2.93 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 47 V 8.01 4.61 2.19 0.00 0.00 0.00 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 0.95 0.00 0.00 48 S 8.65 4.68 0.00 3.99 3.92 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 49 Q 7.79 4.56 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 50 I 8.42 4.56 1.92 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 1.33 0.47 1.06 0.00 0.00 51 I 8.68 4.13 1.85 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 1.10 0.68 0.86 0.00 0.00 52 E 8.61 4.02 0.00 1.58 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.47 0.00 53 R 8.56 4.25 0.00 1.79 1.81 0.00 3.11 0.00 0.00 3.12 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 54 L 8.24 4.23 0.00 1.45 1.42 0.91 0.90 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 55 E 8.57 4.20 0.00 1.92 1.85 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 2.27 2.33 0.00 56 H 8.48 4.87 0.00 3.13 3.11 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.61 4.89 0.00 3.15 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.99 4.50 0.00 3.14 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.91 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.