NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.3704 0.0000 0.0000 61.8145 32.5520 174.9451 5 I 4.0351 8.0928 117.0957 60.6171 38.9148 172.0263 6 E 4.5092 9.2844 124.7798 54.3617 31.7588 173.3204 7 L 4.4660 8.2948 124.6517 53.0616 42.7517 177.7171 8 S 4.3842 8.9096 118.1991 57.9629 64.9296 175.4182 9 L 4.0990 8.5718 122.2526 58.4212 41.3322 179.7585 10 E 4.0811 8.2312 117.6193 59.5636 29.5848 179.3007 11 Q 4.0118 8.1209 118.0113 59.0720 28.9149 178.8664 12 Q 3.8957 8.2329 119.0702 59.0363 28.7204 178.8014 13 F 4.2545 8.4623 118.3001 59.5707 38.8936 178.0153 14 S 4.2649 8.1175 114.8254 61.3467 62.8795 176.5346 15 I 3.7470 7.6680 123.0227 64.1299 36.8132 178.4101 16 R 3.8835 7.8750 119.1987 59.3471 29.9738 178.4382 17 S 4.1042 8.5523 113.3908 61.4098 62.3753 175.6202 18 F 4.0633 8.6151 123.4408 61.5332 39.0286 176.8654 19 A 3.9015 8.3310 120.3937 55.4160 17.9029 179.7098 20 T 3.7893 7.5286 107.0001 65.0074 69.1502 176.5794 21 Q 3.9578 7.7494 120.4226 58.5199 28.4737 178.7286 22 V 3.2892 7.1821 118.3743 65.9591 31.6264 177.5468 23 Q 4.0483 7.8664 118.0041 58.2025 30.1623 177.3529 24 N 4.5648 7.3060 119.0009 50.7159 35.7850 173.5189 *26 S 4.2491 7.2220 117.8799 57.8002 65.2606 175.2634 27 H 4.1744 8.8111 118.7914 59.8821 29.3839 176.6740 28 D 4.3321 8.0653 119.8943 57.4247 40.6027 178.7151 29 Q 4.0294 8.0809 118.0249 58.7781 28.7093 178.6524 30 A 4.0512 8.2846 121.9408 55.1831 18.2023 179.7621 31 K 3.9496 8.0364 117.0030 59.7774 32.1747 179.3838 32 D 4.4331 8.3066 119.0669 57.4529 40.8296 178.6851 33 F 4.0794 8.6280 121.3742 60.9719 39.3420 176.9409 34 L 4.1244 8.1616 120.3856 57.9638 41.8539 179.1308 35 V 3.6057 7.4841 116.9565 65.9594 31.4943 178.1827 36 K 3.8663 7.7366 117.7707 59.2285 31.5728 179.1204 37 L 3.7099 7.7509 120.0921 58.0507 42.0810 177.8848 38 Y 4.1536 7.8140 118.4254 60.7978 39.0178 177.4436 39 E 4.0640 8.1756 120.0120 59.2209 29.7784 179.3291 40 Q 4.2733 7.8616 118.5160 55.9089 28.9703 178.5569 *42 V 3.8135 7.8145 121.1046 62.9369 33.7499 177.3784 43 V 3.5147 7.8160 118.8274 66.1133 31.3481 178.2939 44 R 3.8644 8.2607 118.1900 59.2358 29.8872 178.8697 45 E 4.0595 8.1840 117.7371 59.3864 29.5225 179.1479 46 A 4.0089 7.9868 120.7929 55.2856 18.4490 179.7703 47 T 3.6782 7.7792 114.2192 67.1396 68.6002 176.5275 48 Y 4.1829 7.9091 118.4603 61.2217 37.6279 178.6655 49 Q 4.1036 8.0982 118.1747 58.7699 28.8480 178.1186 50 E 4.1188 8.2400 120.5723 59.2672 29.7268 178.8669 51 L 4.0530 8.0224 118.9797 57.6544 41.3676 179.4946 52 L 4.0215 7.7575 118.4474 57.6263 41.6448 179.3089 53 K 4.4579 7.8787 117.0425 58.4661 32.2800 177.3856 54 H 5.0518 7.7536 116.0419 55.6942 29.1038 176.1186 55 Q 3.9177 7.8556 119.2843 57.2009 28.6062 176.7662 56 W 4.6668 7.9938 115.7836 56.0440 30.2289 176.0128 57 G 3.8697 7.8186 112.1056 45.8892 0.0000 173.5700 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 4 P 0.00 4.37 0.00 2.11 1.92 0.00 3.70 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 1.84 1.59 0.00 5 I 8.09 4.04 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.11 0.88 0.00 0.00 6 E 9.28 4.51 0.00 2.02 1.72 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 2.17 1.88 0.00 7 L 8.29 4.47 0.00 1.60 1.60 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.91 4.38 0.00 4.07 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 9 L 8.57 4.10 0.00 1.79 1.94 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.23 4.08 0.00 2.05 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 2.44 2.45 0.00 11 Q 8.12 4.01 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 12 Q 8.23 3.90 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 13 F 8.46 4.25 0.00 3.23 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.12 4.26 0.00 4.12 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.67 3.75 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.71 0.92 0.00 0.00 16 R 7.88 3.88 0.00 1.79 2.11 0.00 3.15 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 17 S 8.55 4.10 0.00 4.07 3.94 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 0.00 0.00 0.00 0.00 18 F 8.62 4.06 0.00 3.25 3.27 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 19 A 8.33 3.90 1.40 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 0.00 0.00 0.00 20 T 7.53 3.79 4.21 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 1.24 0.00 0.00 21 Q 7.75 3.96 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 22 V 7.18 3.29 1.81 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 0.70 0.00 0.00 0.17 0.00 0.00 23 Q 7.87 4.05 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.11 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 24 N 7.31 4.56 0.00 2.67 2.71 0.00 0.00 6.99 7.41 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 *26 S 7.22 4.25 0.00 4.04 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 27 H 8.81 4.17 0.00 3.21 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.07 4.33 0.00 2.73 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 29 Q 8.08 4.03 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 30 A 8.28 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 3.95 0.00 1.97 1.88 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.69 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.64 7.81 32 D 8.31 4.43 0.00 2.91 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 33 F 8.63 4.08 0.00 3.28 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.16 4.12 0.00 2.09 1.86 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.48 3.61 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 0.98 0.00 0.00 0.92 0.00 0.00 36 K 7.74 3.87 0.00 1.40 1.57 0.00 1.70 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.55 7.81 37 L 7.75 3.71 0.00 1.42 1.83 0.85 1.07 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 38 Y 7.81 4.15 0.00 2.97 3.12 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 0.00 0.00 0.00 0.00 39 E 8.18 4.06 0.00 2.11 2.11 0.00 0.00 0.00 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 2.34 0.00 40 Q 7.86 4.27 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.16 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 *42 V 7.81 3.81 2.02 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 0.88 0.00 0.00 0.43 0.00 0.00 43 V 7.82 3.51 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.91 0.00 0.00 44 R 8.26 3.86 0.00 1.94 2.07 0.00 3.18 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 45 E 8.18 4.06 0.00 2.11 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 2.37 2.28 0.00 46 A 7.99 4.01 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 47 T 7.78 3.68 4.12 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 0.00 0.00 0.00 0.88 0.00 0.00 48 Y 7.91 4.18 0.00 3.02 2.92 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 8.10 4.10 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 50 E 8.24 4.12 0.00 2.12 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 0.00 2.32 2.47 0.00 51 L 8.02 4.05 0.00 2.00 1.74 0.82 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.76 4.02 0.00 1.91 1.80 0.96 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 53 K 7.88 4.46 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.54 7.81 54 H 7.75 5.05 0.00 3.25 3.27 0.00 5.81 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 55 Q 7.86 3.92 0.00 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.97 6.86 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 56 W 7.99 4.67 0.00 3.40 3.10 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 0.00 0.00 0.00 57 G 7.82 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.