NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 Q 4.3371 8.3293 118.8287 54.9672 30.7266 175.0304 22 P 4.5207 0.0000 0.0000 61.4797 32.4598 173.6208 23 T 4.7571 8.1369 113.5441 60.3224 71.4361 173.7501 24 S 5.1825 8.4514 120.2977 56.8622 66.6159 172.7625 25 F 5.1798 8.0643 114.6646 54.9888 41.2769 171.9121 26 P 5.0143 0.0000 0.0000 62.9033 32.7052 174.6746 27 L 5.0190 8.4917 119.9739 53.2234 46.4063 175.8538 28 E 4.1504 8.7605 118.6897 57.0968 30.2801 176.1916 29 H 4.3879 9.2359 114.2116 57.8917 26.3623 174.9613 30 N 4.3856 8.2448 110.3389 54.6286 36.8364 174.3806 31 H 5.2456 8.3266 115.6859 55.7323 30.7455 174.0725 32 F 5.2476 8.5139 114.0823 56.0260 41.7262 173.2060 33 G 3.9888 8.6809 106.2588 44.5464 0.0000 172.3516 34 V 5.3014 8.3814 121.9175 60.0678 35.4793 173.3506 *36 E 4.3602 8.5980 117.9883 57.4694 31.3478 175.6855 37 D 4.2624 8.5320 124.9113 56.2030 39.3906 175.1082 38 G 3.8137 8.8128 115.8079 46.7712 0.0000 171.3772 39 Y 5.1471 7.9603 118.4295 56.4918 39.5436 175.2937 40 I 4.7289 8.6544 125.2320 60.2025 39.4566 174.9516 41 K 4.9973 9.2878 125.4648 54.6868 35.8868 175.0825 42 I 4.7428 8.7168 125.8890 59.7926 39.7474 174.4588 43 Y 4.9220 8.7317 123.2216 55.9095 42.2296 173.9756 44 E 4.7679 8.9139 121.0232 54.6042 33.0978 173.5013 45 Y 5.0917 8.9685 128.4356 56.3415 40.4083 174.5167 46 N 4.3600 9.1952 127.9777 51.7936 39.0080 174.8727 47 E 3.4282 8.3000 128.0116 58.9623 30.2123 178.2195 48 S 4.1619 8.0507 112.6862 61.3323 62.3692 175.0659 49 R 4.1189 8.0413 115.1139 55.5906 30.7869 175.5571 50 N 4.1027 7.7653 116.2509 53.4352 37.6400 172.4368 51 E 5.0594 7.0705 116.0143 55.3312 33.5680 175.9534 52 V 5.1230 8.5381 120.1316 60.1765 34.2947 174.8878 53 K 4.7146 8.9316 121.8766 54.3014 35.7127 175.1922 54 L 3.8819 8.6776 126.8813 55.2660 41.8546 176.2773 55 K 4.3151 8.8250 126.5846 58.0439 33.6200 177.0972 56 K 4.4562 7.2903 118.3838 55.2756 35.6850 174.3990 57 E 5.1722 8.3095 124.4990 54.9371 33.2814 174.4511 58 Y 4.8863 9.0587 121.0269 55.9459 42.5050 174.7560 59 A 4.0918 8.7365 126.8209 51.3569 19.3142 177.8716 60 D 4.3699 9.4028 124.7709 57.7877 40.9752 178.7310 61 D 4.3439 7.9248 119.2656 56.3618 39.3720 178.2865 62 E 3.9616 8.2909 119.0747 58.8751 29.6101 179.2013 63 L 3.9259 7.7081 119.6022 57.5596 41.6826 178.6961 64 E 3.7958 8.3535 119.6117 59.1758 29.3040 178.7653 65 L 3.9038 7.8781 117.9265 57.8772 41.8391 178.4578 66 E 4.0252 8.1143 118.1000 59.9855 29.5101 178.3282 67 H 4.3378 7.8548 116.5482 58.9000 31.3591 176.4938 68 H 4.3138 8.2121 118.6719 58.8140 25.0601 175.1710 69 H 4.4936 7.2460 120.7018 55.9872 28.5050 174.9605 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 21 Q 8.33 4.34 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 22 P 0.00 4.52 0.00 2.32 2.29 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 23 T 8.14 4.76 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 1.33 0.00 0.00 24 S 8.45 5.18 0.00 3.85 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 5.18 0.00 3.23 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.01 0.00 2.19 2.15 0.00 3.94 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 2.09 2.07 0.00 27 L 8.49 5.02 0.00 1.67 1.68 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.76 4.15 0.00 1.90 1.58 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 2.35 2.31 0.00 29 H 9.24 4.39 0.00 3.35 3.39 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.24 4.39 0.00 3.04 3.19 0.00 0.00 6.99 8.16 0.00 0.00 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 H 8.33 5.25 0.00 3.30 3.31 0.00 5.82 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.51 5.25 0.00 3.12 3.03 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 0.00 0.00 0.00 33 G 8.68 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.38 5.30 2.33 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 1.31 0.00 0.00 1.09 0.00 0.00 *36 E 8.60 4.36 0.00 2.16 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 2.34 2.40 0.00 37 D 8.53 4.26 0.00 3.15 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 3.81 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 0.00 0.00 0.00 39 Y 7.96 5.15 0.00 3.06 2.98 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 40 I 8.65 4.73 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.82 1.11 0.00 0.00 41 K 9.29 5.00 0.00 1.74 1.27 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.48 7.81 42 I 8.72 4.74 1.85 0.00 0.00 1.00 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 0.64 0.90 0.00 0.00 43 Y 8.73 4.92 0.00 1.43 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 0.00 0.00 0.00 44 E 8.91 4.77 0.00 1.68 1.63 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 2.10 1.90 0.00 45 Y 8.97 5.09 0.00 3.19 3.04 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 46 N 9.20 4.36 0.00 2.59 2.53 0.00 0.00 6.39 7.53 0.00 0.00 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 E 8.30 3.43 0.00 1.94 1.89 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 2.31 2.43 0.00 48 S 8.05 4.16 0.00 3.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 4.12 0.00 1.78 1.92 0.00 3.38 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 50 N 7.77 4.10 0.00 2.83 2.81 0.00 0.00 6.91 6.93 0.00 0.00 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 E 7.07 5.06 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 2.23 2.32 0.00 52 V 8.54 5.12 2.49 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 0.94 0.00 0.00 1.15 0.00 0.00 53 K 8.93 4.71 0.00 1.67 1.69 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.35 1.35 7.81 54 L 8.68 3.88 0.00 1.60 1.51 0.16 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.82 4.32 0.00 1.65 1.80 0.00 1.97 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.30 7.81 56 K 7.29 4.46 0.00 1.79 1.58 0.00 1.43 0.00 0.00 1.78 0.00 0.00 2.77 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.45 1.11 7.81 57 E 8.31 5.17 0.00 1.71 1.75 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 2.21 2.19 0.00 58 Y 9.06 4.89 0.00 2.87 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 59 A 8.74 4.09 1.06 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 60 D 9.40 4.37 0.00 2.74 2.66 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 0.00 0.00 0.00 0.00 61 D 7.92 4.34 0.00 2.87 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.29 3.96 0.00 2.27 2.27 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 2.56 2.48 0.00 63 L 7.71 3.93 0.00 1.82 1.61 0.72 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.35 3.80 0.00 2.20 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 2.33 2.33 0.00 65 L 7.88 3.90 0.00 1.81 1.71 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.11 4.03 0.00 1.92 2.22 0.00 0.00 0.00 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 2.46 0.00 67 H 7.85 4.34 0.00 3.07 3.31 0.00 5.82 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.21 4.31 0.00 3.13 3.20 0.00 5.72 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.25 4.49 0.00 3.24 3.60 0.00 5.73 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.