#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qe6 n LYS 3 N 0.00 0.48 -0.03 0.00 4.81 -1.26 -4.78 118.16 117.37 1qe6 n LYS 3 Ca 0.00 0.20 -0.21 0.00 -0.87 0.00 0.00 58.31 57.43 1qe6 n LYS 3 Cb 0.00 -1.31 -0.13 0.00 0.02 0.00 0.00 35.03 33.61 1qe6 n LYS 3 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1qe6 h GLU 4 N -0.84 0.16 -5.66 1.64 5.08 -2.02 -3.42 114.58 109.53 1qe6 h GLU 4 Ca -0.38 -0.27 -0.67 0.00 -1.00 0.00 0.00 59.36 57.04 1qe6 h GLU 4 Cb 1.27 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 30.51 1qe6 h GLU 4 CO -0.23 1.13 1.79 0.00 -1.00 0.00 0.00 179.01 180.70 1qe6 s ARG 6 N 3.81 0.81 0.46 0.00 1.70 -1.12 -4.49 118.95 120.12 1qe6 s ARG 6 Ca 0.49 -0.41 -0.24 0.00 -0.47 0.00 0.00 55.73 55.10 1qe6 s ARG 6 Cb 0.01 0.30 -0.07 0.00 -0.57 0.00 0.00 34.95 34.62 1qe6 s ARG 6 CO 0.01 -0.37 1.30 0.00 -1.08 0.00 0.00 175.30 175.16 1qe6 n GLN 8 N -0.34 0.40 -4.65 0.00 1.13 -1.26 -4.93 117.38 107.73 1qe6 n GLN 8 Ca 0.06 -0.01 -0.33 0.00 -1.94 0.00 0.00 57.00 54.78 1qe6 n GLN 8 Cb 0.45 -1.62 -0.13 0.00 0.11 0.00 0.00 30.24 29.05 1qe6 n GLN 8 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1qe6 n ILE 10 N 2.99 0.10 -3.50 0.00 0.13 -1.26 -4.99 119.36 112.82 1qe6 n ILE 10 Ca -0.18 -0.38 -0.11 0.00 -1.10 0.00 0.00 62.75 60.99 1qe6 n ILE 10 Cb 0.53 0.16 -0.03 0.00 -0.84 0.00 0.00 39.64 39.46 1qe6 n ILE 10 CO 0.00 0.00 0.00 -1.59 2.80 0.00 0.00 176.55 177.76 1qe6 s LYS 11 N -3.36 0.90 0.21 9.51 0.00 -1.26 -5.18 119.74 120.55 1qe6 s LYS 11 Ca -0.03 -0.19 0.10 0.00 0.00 0.00 0.00 55.97 55.85 1qe6 s LYS 11 Cb 0.14 0.42 -0.04 0.00 0.00 0.00 0.00 37.83 38.34 1qe6 s LYS 11 CO 0.87 -0.36 -0.13 0.95 0.00 0.00 0.00 175.35 176.67 1qe6 s THR 12 N -2.67 2.92 -0.28 3.79 -4.23 -1.26 -4.55 115.64 109.35 1qe6 s THR 12 Ca 0.01 -1.89 -0.24 0.00 -1.18 0.00 0.00 61.69 58.39 1qe6 s THR 12 Cb -0.01 -2.47 -0.00 0.00 1.34 0.00 0.00 72.50 71.36 1qe6 s THR 12 CO -0.06 -0.19 0.80 -0.47 -0.54 0.00 0.00 174.62 174.17 1qe6 s TYR 13 N -1.89 3.24 -1.75 3.99 5.04 0.49 -4.95 117.35 121.51 1qe6 s TYR 13 Ca 0.25 0.93 0.24 0.00 -2.44 0.00 0.00 57.07 56.06 1qe6 s TYR 13 Cb -0.08 -3.16 0.34 0.00 0.35 0.00 0.00 41.96 39.41 1qe6 s TYR 13 CO 0.14 -0.51 1.30 0.43 -1.34 0.00 0.00 175.55 175.58 1qe6 n SER 14 N 6.14 1.40 -4.62 4.32 7.64 -1.26 -4.63 113.62 122.60 1qe6 n SER 14 Ca 0.04 -1.11 -0.41 0.00 1.01 0.00 0.00 58.87 58.40 1qe6 n SER 14 Cb 0.48 0.36 -0.05 0.00 -1.01 0.00 0.00 64.21 63.99 1qe6 n SER 14 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1qe6 s LYS 15 N -2.57 4.06 0.33 1.43 -0.14 -1.26 -5.04 119.74 116.56 1qe6 s LYS 15 Ca 0.20 0.64 -0.29 0.00 -1.36 0.00 0.00 55.97 55.16 1qe6 s LYS 15 Cb 0.18 -3.68 -0.11 0.00 -1.68 0.00 0.00 37.83 32.55 1qe6 s LYS 15 CO 0.59 -0.54 1.41 -2.14 -0.76 0.00 0.00 175.35 173.91 1qe6 s PRO 16 N 2.75 4.24 0.10 -1.68 0.02 -1.26 -5.04 135.00 134.12 1qe6 s PRO 16 Ca 0.30 2.39 -0.05 0.00 0.02 0.00 0.00 61.00 63.66 1qe6 s PRO 16 Cb -0.15 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 1qe6 s PRO 16 CO 0.10 -0.38 0.13 -0.59 -0.33 0.00 0.00 177.00 175.93 1qe6 s PHE 17 N -0.89 0.45 0.12 6.54 -0.12 -1.26 -5.15 117.98 117.67 1qe6 s PHE 17 Ca 0.53 -0.88 -0.30 0.00 -0.05 0.00 0.00 56.93 56.23 1qe6 s PHE 17 Cb -0.43 -0.23 -0.06 0.00 -0.63 0.00 0.00 43.02 41.67 1qe6 s PHE 17 CO 0.55 -0.54 1.09 -1.58 -0.05 0.00 0.00 175.22 174.69 1qe6 s HIS 18 N -3.94 3.60 -0.50 3.49 5.65 -1.26 -4.93 115.29 117.40 1qe6 s HIS 18 Ca 0.12 1.57 0.05 0.00 0.25 0.00 0.00 55.06 57.05 1qe6 s HIS 18 Cb 0.06 -3.26 0.25 0.00 -1.18 0.00 0.00 32.58 28.45 1qe6 s HIS 18 CO -0.06 -0.58 1.02 -0.35 -0.65 0.00 0.00 174.74 174.12 1qe6 n PRO 19 N 2.95 0.03 0.26 2.88 -0.04 -1.26 -2.31 135.00 137.52 1qe6 n PRO 19 Ca 0.04 0.42 0.17 0.00 -0.04 0.00 0.00 63.50 64.10 1qe6 n PRO 19 Cb 0.47 -1.77 0.81 0.00 -0.04 0.00 0.00 33.50 32.97 1qe6 n PRO 19 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1qe6 h LYS 20 N 0.00 0.00 -0.01 0.54 2.10 -1.96 -2.03 116.57 115.21 1qe6 h LYS 20 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1qe6 h LYS 20 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1qe6 h LYS 20 CO 0.00 0.00 -0.12 1.19 -2.00 0.00 0.00 179.45 178.52 1qe6 n PHE 21 N -2.83 0.00 -3.43 0.07 3.72 -0.98 -4.87 117.46 109.15 1qe6 n PHE 21 Ca -0.01 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.02 1qe6 n PHE 21 Cb 0.18 -0.07 -0.06 0.00 -0.94 0.00 0.00 39.48 38.59 1qe6 n PHE 21 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1qe6 s ILE 22 N -2.26 5.18 -0.01 4.37 1.01 -0.77 -1.16 121.20 127.57 1qe6 s ILE 22 Ca 0.31 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.77 1qe6 s ILE 22 Cb 0.20 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 1qe6 s ILE 22 CO 0.43 0.41 0.01 2.29 0.00 0.00 0.00 174.94 178.08 1qe6 n LYS 23 N 3.17 1.58 -3.78 2.79 2.85 -0.47 -4.93 118.16 119.36 1qe6 n LYS 23 Ca -0.10 -0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.03 1qe6 n LYS 23 Cb 0.52 -0.90 -0.10 0.00 -0.65 0.00 0.00 35.03 33.90 1qe6 n LYS 23 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1qe6 s GLU 24 N -1.81 0.45 0.02 -1.58 2.12 -1.20 -5.00 118.70 111.70 1qe6 s GLU 24 Ca -0.00 0.12 0.04 0.00 0.36 0.00 0.00 54.97 55.49 1qe6 s GLU 24 Cb 0.00 0.21 -0.02 0.00 0.26 0.00 0.00 34.13 34.58 1qe6 s GLU 24 CO 0.02 -0.09 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.35 1qe6 s LEU 25 N -0.48 2.12 -0.05 2.70 2.96 -1.26 -1.50 118.68 123.17 1qe6 s LEU 25 Ca -0.06 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1qe6 s LEU 25 Cb -0.04 -0.61 0.02 0.00 0.50 0.00 0.00 46.19 46.07 1qe6 s LEU 25 CO 0.02 0.07 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.96 1qe6 s ARG 26 N -0.82 0.76 -0.18 1.98 0.52 -0.05 -5.01 118.95 116.14 1qe6 s ARG 26 Ca 0.03 -0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.19 1qe6 s ARG 26 Cb -0.07 -0.85 0.04 0.00 0.52 0.00 0.00 34.95 34.59 1qe6 s ARG 26 CO 0.01 -0.13 -0.09 0.08 0.02 0.00 0.00 175.30 175.18 1qe6 s VAL 27 N 1.14 1.47 -0.30 3.52 1.01 -1.26 -1.27 120.40 124.71 1qe6 s VAL 27 Ca -0.08 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 1qe6 s VAL 27 Cb -0.14 -1.55 0.05 0.00 0.00 0.00 0.00 36.38 34.73 1qe6 s VAL 27 CO -0.01 0.19 -0.00 -0.63 0.00 0.00 0.00 175.10 174.65 1qe6 s ILE 28 N 1.48 3.03 0.55 2.22 1.01 -0.21 -4.99 121.20 124.30 1qe6 s ILE 28 Ca 0.00 -1.32 -0.20 0.00 0.00 0.00 0.00 60.65 59.13 1qe6 s ILE 28 Cb -0.16 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 1qe6 s ILE 28 CO -0.08 -0.08 1.19 -0.70 0.00 0.00 0.00 174.94 175.28 1qe6 s GLU 29 N 1.27 3.22 0.69 2.79 2.12 -1.26 -0.71 118.70 126.82 1qe6 s GLU 29 Ca -0.04 1.80 -0.17 0.00 0.36 0.00 0.00 54.97 56.92 1qe6 s GLU 29 Cb -0.19 -2.06 0.01 0.00 0.26 0.00 0.00 34.13 32.14 1qe6 s GLU 29 CO -0.01 -1.00 1.28 -1.54 -0.54 0.00 0.00 175.26 173.45 1qe6 s SER 30 N -1.54 4.35 0.00 -1.70 1.04 -1.26 -4.78 113.70 109.82 1qe6 s SER 30 Ca 0.73 2.57 0.00 0.00 0.48 0.00 0.00 55.95 59.73 1qe6 s SER 30 Cb -0.29 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.21 1qe6 s SER 30 CO 0.33 -2.17 0.00 0.61 0.98 0.00 0.00 173.24 172.99 1qe6 n GLY 31 N 0.81 -0.62 0.44 7.32 0.00 -0.06 -4.96 105.19 108.13 1qe6 n GLY 31 Ca 0.15 -0.59 0.26 0.00 0.00 0.00 0.00 46.02 45.85 1qe6 n GLY 31 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qe6 h PRO 32 N 0.00 0.26 -0.01 1.61 0.11 -2.00 -2.56 132.00 129.41 1qe6 h PRO 32 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1qe6 h PRO 32 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1qe6 h PRO 32 CO 0.00 0.17 -0.65 0.00 -0.21 0.00 0.00 178.00 177.31 1qe6 h ALA 35 N 7.14 1.44 -2.55 0.00 0.00 -1.91 -0.13 119.26 123.25 1qe6 h ALA 35 Ca -0.24 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.13 1qe6 h ALA 35 Cb 1.17 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 1qe6 h ALA 35 CO 0.14 0.00 -0.77 -0.80 0.00 0.00 0.00 179.25 177.83 1qe6 s ASN 36 N -6.01 2.96 0.30 0.00 -0.87 -1.26 -4.68 114.94 105.39 1qe6 s ASN 36 Ca -0.05 -0.95 -0.29 0.00 -1.57 0.00 0.00 52.86 50.00 1qe6 s ASN 36 Cb 0.15 -0.20 -0.10 0.00 -0.02 0.00 0.00 41.25 41.08 1qe6 s ASN 36 CO 0.53 -0.04 1.15 -0.89 -2.57 0.00 0.00 177.10 175.28 1qe6 s THR 37 N -2.41 3.29 -0.00 1.60 2.01 -1.26 -4.10 115.64 114.77 1qe6 s THR 37 Ca 0.22 1.27 0.08 0.00 0.31 0.00 0.00 61.69 63.57 1qe6 s THR 37 Cb -0.04 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1qe6 s THR 37 CO 0.09 0.28 -0.25 -1.61 -0.69 0.00 0.00 174.62 172.44 1qe6 s GLU 38 N -1.63 1.97 -0.15 4.92 2.02 0.11 -4.70 118.70 121.24 1qe6 s GLU 38 Ca 0.47 -0.95 -0.00 0.00 0.02 0.00 0.00 54.97 54.51 1qe6 s GLU 38 Cb -0.33 -1.96 0.03 0.00 0.10 0.00 0.00 34.13 31.97 1qe6 s GLU 38 CO 0.43 0.53 -0.09 0.42 0.02 0.00 0.00 175.26 176.57 1qe6 s ILE 39 N -0.65 1.30 -0.14 -1.63 1.01 -1.25 -1.04 121.20 118.81 1qe6 s ILE 39 Ca 0.10 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1qe6 s ILE 39 Cb -0.10 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.04 1qe6 s ILE 39 CO -0.00 0.30 -0.21 -0.63 0.00 0.00 0.00 174.94 174.41 1qe6 s ILE 40 N 1.58 2.21 0.07 2.92 1.01 -0.40 0.06 121.20 128.65 1qe6 s ILE 40 Ca 0.03 -0.93 0.08 0.00 0.00 0.00 0.00 60.65 59.83 1qe6 s ILE 40 Cb -0.14 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1qe6 s ILE 40 CO -0.09 0.54 -0.21 0.68 0.00 0.00 0.00 174.94 175.87 1qe6 s VAL 41 N 0.77 2.62 -0.21 2.92 -7.23 0.86 -0.87 120.40 119.25 1qe6 s VAL 41 Ca -0.08 -1.39 -0.07 0.00 -1.81 0.00 0.00 61.98 58.64 1qe6 s VAL 41 Cb -0.16 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 1qe6 s VAL 41 CO -0.00 0.25 0.06 -0.75 -0.31 0.00 0.00 175.10 174.34 1qe6 s LYS 42 N -1.67 3.82 0.46 4.82 2.20 -0.56 -0.15 119.74 128.65 1qe6 s LYS 42 Ca 0.15 -0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.36 1qe6 s LYS 42 Cb -0.10 -3.24 0.01 0.00 -1.51 0.00 0.00 37.83 32.98 1qe6 s LYS 42 CO 0.06 0.08 0.67 -0.51 -0.36 0.00 0.00 175.35 175.28 1qe6 s LEU 43 N 0.90 3.60 0.53 5.43 1.43 0.12 -1.37 118.68 129.32 1qe6 s LEU 43 Ca 0.03 0.12 0.32 0.00 -1.03 0.00 0.00 54.13 53.57 1qe6 s LEU 43 Cb -0.14 -3.01 1.29 0.00 0.03 0.00 0.00 46.19 44.36 1qe6 s LEU 43 CO 0.03 -0.78 1.96 0.77 0.23 0.00 0.00 176.35 178.56 1qe6 h SER 44 N 0.39 0.00 0.06 2.29 4.64 -1.46 -0.92 113.55 118.55 1qe6 h SER 44 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1qe6 h SER 44 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1qe6 h SER 44 CO 0.55 0.04 0.00 0.47 -0.87 0.00 0.00 176.83 177.02 1qe6 n ASP 45 N -3.16 0.00 0.00 4.97 8.00 -1.26 -4.85 116.55 120.25 1qe6 n ASP 45 Ca 0.00 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.77 1qe6 n ASP 45 Cb 0.32 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1qe6 n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qe6 n GLY 46 N 0.70 1.09 3.80 0.44 0.00 -0.35 -5.04 105.19 105.82 1qe6 n GLY 46 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1qe6 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qe6 s ARG 47 N -0.39 4.36 -0.34 1.61 0.52 -1.25 -4.77 118.95 118.68 1qe6 s ARG 47 Ca 0.00 1.24 -0.04 0.00 -0.52 0.00 0.00 55.73 56.41 1qe6 s ARG 47 Cb 0.00 -2.45 0.06 0.00 0.52 0.00 0.00 34.95 33.08 1qe6 s ARG 47 CO 0.00 0.08 0.09 -1.21 0.02 0.00 0.00 175.30 174.28 1qe6 s GLU 48 N -2.68 2.37 -0.04 3.54 2.02 -1.26 0.12 118.70 122.78 1qe6 s GLU 48 Ca 0.57 -1.40 -0.00 0.00 0.02 0.00 0.00 54.97 54.16 1qe6 s GLU 48 Cb -0.14 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.67 1qe6 s GLU 48 CO 0.19 -0.76 0.01 -0.51 0.02 0.00 0.00 175.26 174.20 1qe6 s LEU 49 N 1.27 3.58 -0.18 1.80 1.43 0.79 -4.91 118.68 122.46 1qe6 s LEU 49 Ca -0.00 0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 1qe6 s LEU 49 Cb -0.21 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 1qe6 s LEU 49 CO -0.01 0.32 0.20 0.00 0.23 0.00 0.00 176.35 177.10 1qe6 s LEU 51 N 0.34 2.51 -0.45 0.00 1.43 0.11 -0.38 118.68 122.25 1qe6 s LEU 51 Ca 0.12 -0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 52.18 1qe6 s LEU 51 Cb -0.12 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 44.82 1qe6 s LEU 51 CO 0.01 0.15 1.24 -0.62 0.23 0.00 0.00 176.35 177.35 1qe6 s ASP 52 N -2.43 6.54 0.25 2.29 -1.08 -1.26 -3.79 116.67 117.20 1qe6 s ASP 52 Ca 0.19 0.63 0.20 0.00 -0.52 0.00 0.00 52.55 53.05 1qe6 s ASP 52 Cb -0.09 -2.55 0.97 0.00 -1.46 0.00 0.00 42.92 39.79 1qe6 s ASP 52 CO 0.09 -1.30 1.61 -0.81 0.52 0.00 0.00 175.17 175.29 1qe6 n PRO 53 N 7.88 0.14 0.00 4.34 -0.04 -1.26 -2.03 135.00 144.03 1qe6 n PRO 53 Ca 0.14 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.24 1qe6 n PRO 53 Cb 0.49 -1.86 0.29 0.00 -0.04 0.00 0.00 33.50 32.37 1qe6 n PRO 53 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1qe6 n LYS 54 N -2.15 0.47 -3.02 0.54 4.76 -1.26 -4.73 118.16 112.77 1qe6 n LYS 54 Ca 0.00 -0.29 -0.40 0.00 -2.87 0.00 0.00 58.31 54.75 1qe6 n LYS 54 Cb 0.11 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.76 1qe6 n LYS 54 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1qe6 s GLU 55 N -2.73 4.37 0.20 1.97 2.02 -0.86 -4.98 118.70 118.70 1qe6 s GLU 55 Ca 0.18 0.87 -0.10 0.00 0.02 0.00 0.00 54.97 55.94 1qe6 s GLU 55 Cb 0.18 -3.50 0.26 0.00 0.10 0.00 0.00 34.13 31.18 1qe6 s GLU 55 CO 0.61 -0.07 1.73 -0.91 0.02 0.00 0.00 175.26 176.65 1qe6 h ASN 56 N 7.00 0.16 -0.16 -0.19 -0.26 -1.89 -1.34 115.58 118.90 1qe6 h ASN 56 Ca -0.37 0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.44 1qe6 h ASN 56 Cb 1.17 0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 38.50 1qe6 h ASN 56 CO 0.77 0.10 0.06 4.11 -1.06 0.00 0.00 177.43 181.41 1qe6 h TRP 57 N 0.36 0.31 -0.31 1.19 5.08 -1.95 -1.44 115.95 119.19 1qe6 h TRP 57 Ca 0.30 -0.01 -0.07 0.00 1.08 0.00 0.00 58.89 60.19 1qe6 h TRP 57 Cb 0.38 -0.10 -0.01 0.00 -3.00 0.00 0.00 29.16 26.43 1qe6 h TRP 57 CO -0.19 0.28 -0.08 0.28 -1.28 0.00 0.00 178.44 177.45 1qe6 h VAL 58 N 0.32 1.28 -0.58 0.12 2.07 -1.55 -0.86 116.25 117.04 1qe6 h VAL 58 Ca 0.08 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 1qe6 h VAL 58 Cb 0.12 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1qe6 h VAL 58 CO -0.00 0.36 0.12 1.56 0.02 0.00 0.00 177.57 179.63 1qe6 h GLN 59 N 0.37 0.92 -0.33 1.57 4.20 -0.68 -0.80 115.11 120.36 1qe6 h GLN 59 Ca 0.08 -0.21 -0.18 0.00 0.06 0.00 0.00 58.65 58.40 1qe6 h GLN 59 Cb 0.57 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1qe6 h GLN 59 CO 0.03 0.84 -0.48 0.00 -0.67 0.00 0.00 178.83 178.55 1qe6 h ARG 60 N 0.88 0.91 -0.68 1.46 3.08 -1.19 -1.94 114.38 116.91 1qe6 h ARG 60 Ca 0.19 -0.54 -0.07 0.00 0.07 0.00 0.00 59.98 59.63 1qe6 h ARG 60 Cb 0.35 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1qe6 h ARG 60 CO 0.00 1.18 0.17 0.28 -1.07 0.00 0.00 179.97 180.53 1qe6 h VAL 61 N 0.72 1.26 -0.06 2.04 2.07 -0.82 -1.19 116.25 120.27 1qe6 h VAL 61 Ca 0.03 -0.96 -0.14 0.00 0.82 0.00 0.00 66.70 66.46 1qe6 h VAL 61 Cb 1.08 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1qe6 h VAL 61 CO 0.11 0.36 -0.59 0.58 0.02 0.00 0.00 177.57 178.05 1qe6 h VAL 62 N 1.02 1.39 -0.29 2.57 2.07 -1.14 -2.48 116.25 119.39 1qe6 h VAL 62 Ca 0.21 -1.97 -0.10 0.00 0.82 0.00 0.00 66.70 65.66 1qe6 h VAL 62 Cb 0.37 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1qe6 h VAL 62 CO 0.00 0.58 -0.21 -0.08 0.02 0.00 0.00 177.57 177.88 1qe6 h GLU 63 N 0.14 0.66 -0.53 1.57 4.57 -1.07 -2.32 114.58 117.60 1qe6 h GLU 63 Ca -0.00 -0.32 -0.08 0.00 -1.18 0.00 0.00 59.36 57.77 1qe6 h GLU 63 Cb 1.08 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 1qe6 h GLU 63 CO 0.09 0.92 0.01 0.87 -1.18 0.00 0.00 179.01 179.72 1qe6 h LYS 64 N 0.41 0.93 -0.44 1.92 6.56 -1.18 -2.42 116.57 122.36 1qe6 h LYS 64 Ca 0.06 -0.29 -0.04 0.00 -1.06 0.00 0.00 60.65 59.31 1qe6 h LYS 64 Cb 0.76 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 32.32 1qe6 h LYS 64 CO 0.06 0.95 0.10 0.35 -2.06 0.00 0.00 179.45 178.84 1qe6 h PHE 65 N 0.81 0.74 -0.70 -1.35 3.57 -1.44 -2.35 116.94 116.22 1qe6 h PHE 65 Ca 0.15 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1qe6 h PHE 65 Cb 0.52 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1qe6 h PHE 65 CO 0.04 0.69 0.45 1.25 -2.23 0.00 0.00 178.31 178.51 1qe6 h LEU 66 N 0.57 0.76 -0.70 0.59 5.85 -1.31 0.34 115.31 121.42 1qe6 h LEU 66 Ca 0.14 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 1qe6 h LEU 66 Cb 0.33 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1qe6 h LEU 66 CO 0.00 0.54 -0.31 0.11 -0.34 0.00 0.00 178.44 178.44 1qe6 h LYS 67 N 0.90 0.66 -0.20 1.25 1.79 -1.38 -1.30 116.57 118.30 1qe6 h LYS 67 Ca 0.27 -0.29 -0.06 0.00 -2.18 0.00 0.00 60.65 58.38 1qe6 h LYS 67 Cb -0.05 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 1qe6 h LYS 67 CO -0.08 0.89 -0.12 -0.09 -1.08 0.00 0.00 179.45 178.97 1qe6 h ARG 68 N 0.56 0.44 -0.41 3.15 2.43 -1.02 -2.98 114.38 116.54 1qe6 h ARG 68 Ca 0.07 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 1qe6 h ARG 68 Cb 0.81 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 1qe6 h ARG 68 CO 0.07 0.74 0.11 0.00 -1.51 0.00 0.00 179.97 179.38 1qe6 h ALA 69 N 0.68 1.42 0.00 2.80 0.00 -0.87 -0.98 119.26 122.31 1qe6 h ALA 69 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1qe6 h ALA 69 Cb 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1qe6 h ALA 69 CO 0.03 0.43 0.00 0.39 0.00 0.00 0.00 179.25 180.10 1qe6 n GLU 70 N -4.33 0.11 0.00 0.00 1.02 -0.50 -1.55 120.64 115.40 1qe6 n GLU 70 Ca 0.03 0.38 0.12 0.00 -0.02 0.00 0.00 57.16 57.67 1qe6 n GLU 70 Cb 0.19 -1.72 0.17 0.00 -0.02 0.00 0.00 31.44 30.06 1qe6 n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1qe6 n ASN 71 N -1.93 2.29 -0.04 1.62 4.13 -0.38 -5.08 115.26 115.86 1qe6 n ASN 71 Ca 0.02 -1.68 0.01 0.00 1.68 0.00 0.00 54.58 54.61 1qe6 n ASN 71 Cb 0.18 0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.57 1qe6 n ASN 71 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34