NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3270 8.3049 120.3208 55.1075 33.4065 174.4840 2 Q 4.4991 8.1550 120.9481 53.6919 31.7795 173.2168 3 Y 4.7540 9.3891 120.2302 56.0266 41.7463 174.9468 4 K 4.8049 8.6938 122.7370 54.5537 35.1950 175.8149 5 V 4.3547 8.2590 120.9987 61.1148 34.2606 174.3889 6 I 4.4163 8.2608 127.3833 59.6500 39.3178 174.7769 7 L 4.3555 8.4986 123.9895 55.8742 43.0002 176.8155 8 N 4.7685 7.7208 116.7874 51.1152 38.4544 174.3161 9 G 3.8707 8.0314 111.8119 44.3908 0.0000 170.1180 10 K 5.1036 8.0332 119.4606 54.2690 34.7768 174.1802 *17 T 4.4490 7.8840 120.8500 62.8301 69.7953 176.8481 18 T 4.1638 7.9266 118.9480 62.5194 70.2620 171.3261 19 E 4.9107 8.5118 120.4624 55.1342 33.5748 173.1015 20 A 4.8314 8.1754 121.3257 50.8736 22.1325 175.2127 21 V 4.2743 7.8787 116.3241 60.2277 34.6756 174.1092 22 D 4.2915 8.8866 125.6083 54.5603 41.7956 176.5940 23 A 3.9367 8.6162 129.4974 55.3903 18.6711 178.8085 24 A 3.9201 7.9859 118.5697 55.5768 18.3342 179.8705 25 T 3.9261 7.7508 113.0921 66.5145 68.5340 176.8484 26 F 4.1650 8.0720 122.3736 61.2481 39.3451 176.9285 27 E 3.6037 8.1879 118.1385 59.3737 29.2702 179.5584 28 K 4.0182 7.8986 117.9326 59.4614 32.1345 179.4890 29 V 3.6218 7.9631 118.6086 66.0474 31.4046 178.3330 30 V 3.6502 7.7442 117.8942 65.8744 31.3471 177.9037 31 K 4.0319 8.4960 119.6388 59.6722 31.9697 178.5642 32 Q 3.9786 8.8268 120.2476 58.8926 28.8611 177.8548 33 F 4.0680 8.3162 121.8126 61.4599 39.3653 177.1910 34 F 3.7625 8.3447 117.3163 60.3149 38.5809 177.0767 35 N 4.2784 8.5475 117.0238 56.9402 38.5376 176.6059 36 D 4.3397 8.1977 118.9795 56.2674 40.8098 177.3478 37 N 4.7276 7.0092 114.2686 52.0591 38.8400 175.0563 38 G 3.8684 7.9476 107.5687 46.2267 0.0000 173.7977 39 V 4.2881 7.9781 119.3903 60.5830 33.1632 174.7783 40 D 4.6561 8.4114 126.5758 53.3369 42.3034 174.9756 41 G 3.8148 7.7493 111.5765 45.6848 0.0000 172.1841 42 E 4.5818 8.0463 117.2750 54.2473 33.4266 175.4870 43 W 4.3114 8.7184 122.2031 56.2699 29.4411 176.0650 44 T 4.7809 8.2477 113.4261 59.5970 70.8550 173.3950 45 Y 4.2413 8.5729 121.2204 57.7163 38.5662 175.6808 46 D 4.6724 8.6296 124.3033 53.6933 41.8056 175.4746 47 D 4.4176 8.4505 120.0683 53.7829 41.7804 175.7439 48 A 4.1747 8.5473 128.4701 53.2397 18.8933 176.9735 49 T 4.7694 8.1726 115.6094 61.7088 72.5608 173.7935 50 K 4.6783 8.5867 123.5258 54.8456 35.3337 175.6529 51 T 4.5345 8.2873 119.1466 61.5388 70.6100 174.3964 52 F 4.2843 8.7247 127.9338 57.9226 38.4737 174.6644 53 T 4.0962 7.7329 125.5549 61.7033 68.5625 175.4440 54 V 3.3209 8.1081 127.2705 62.9408 31.7609 175.5787 55 T 3.8129 8.3320 124.3073 64.0423 67.8885 174.3158 56 E 4.0992 8.6787 125.3109 56.8269 29.6022 174.8385 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 1 M 8.30 4.33 0.00 1.50 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 2 Q 8.16 4.50 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 3 Y 9.39 4.75 0.00 3.01 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 4 K 8.69 4.80 0.00 1.75 1.72 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 5 V 8.26 4.35 1.93 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 0.18 0.00 0.00 1.04 0.00 0.00 6 I 8.26 4.42 1.82 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 1.39 0.73 0.87 0.00 0.00 7 L 8.50 4.36 0.00 1.46 1.55 0.59 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.72 4.77 0.00 2.63 2.70 0.00 0.00 6.86 7.65 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 9 G 8.03 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 10 K 8.03 5.10 0.00 1.70 1.69 0.00 1.63 0.00 0.00 2.35 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.38 7.81 *17 T 7.88 4.45 4.23 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 1.20 0.00 0.00 18 T 7.93 4.16 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 1.21 0.00 0.00 19 E 8.51 4.91 0.00 1.89 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 2.19 2.22 0.00 20 A 8.18 4.83 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.88 4.27 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 0.78 0.00 0.00 0.90 0.00 0.00 22 D 8.89 4.29 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.62 3.94 1.24 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 0.00 0.00 0.00 24 A 7.99 3.92 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.75 3.93 4.44 0.00 0.00 0.00 0.00 0.00 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 26 F 8.07 4.16 0.00 3.09 3.15 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 27 E 8.19 3.60 0.00 2.09 1.77 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 1.47 2.19 0.00 28 K 7.90 4.02 0.00 2.01 1.89 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.48 7.81 29 V 7.96 3.62 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 30 V 7.74 3.65 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.51 0.00 0.00 31 K 8.50 4.03 0.00 2.06 2.03 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.45 7.81 32 Q 8.83 3.98 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 33 F 8.32 4.07 0.00 3.17 3.19 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 34 F 8.34 3.76 0.00 3.26 3.26 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 0.00 35 N 8.55 4.28 0.00 2.97 2.92 0.00 0.00 7.22 9.28 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 36 D 8.20 4.34 0.00 2.61 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 37 N 7.01 4.73 0.00 2.52 2.61 0.00 0.00 6.95 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 38 G 7.95 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 39 V 7.98 4.29 2.40 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 0.85 0.00 0.00 1.05 0.00 0.00 40 D 8.41 4.66 0.00 2.63 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 0.00 0.00 0.00 0.00 41 G 7.75 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 42 E 8.05 4.58 0.00 1.86 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 0.00 2.16 2.26 0.00 43 W 8.72 4.31 0.00 3.24 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 44 T 8.25 4.78 4.32 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 0.00 0.00 0.00 1.23 0.00 0.00 45 Y 8.57 4.24 0.00 3.00 2.94 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 46 D 8.63 4.67 0.00 2.76 2.68 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 47 D 8.45 4.42 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 48 A 8.55 4.17 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 49 T 8.17 4.77 4.27 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 1.24 0.00 0.00 50 K 8.59 4.68 0.00 1.73 1.71 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.44 7.81 51 T 8.29 4.53 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 1.24 0.00 0.00 52 F 8.72 4.28 0.00 2.98 3.07 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 0.00 0.00 0.00 0.00 53 T 7.73 4.10 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 54 V 8.11 3.32 2.04 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 0.78 0.00 0.00 0.96 0.00 0.00 55 T 8.33 3.81 4.20 0.00 0.00 0.00 0.00 0.00 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 56 E 8.68 4.10 0.00 2.09 1.91 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 2.20 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.