#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qan s LEU 3 N 0.00 2.48 0.09 -3.43 2.96 -1.26 -5.00 118.68 114.52 2qan s LEU 3 Ca 0.00 -0.92 -0.30 0.00 -0.22 0.00 0.00 54.13 52.69 2qan s LEU 3 Cb 0.00 -1.00 -0.06 0.00 0.50 0.00 0.00 46.19 45.63 2qan s LEU 3 CO 0.00 0.03 1.19 -0.94 -1.32 0.00 0.00 176.35 175.30 2qan s SER 4 N -2.91 7.10 0.28 3.68 1.04 -1.26 -4.91 113.70 116.72 2qan s SER 4 Ca 0.21 2.05 0.02 0.00 0.48 0.00 0.00 55.95 58.71 2qan s SER 4 Cb -0.06 -2.59 0.66 0.00 0.10 0.00 0.00 66.02 64.13 2qan s SER 4 CO 0.10 -0.43 1.70 0.71 0.98 0.00 0.00 173.24 176.30 2qan h THR 5 N 4.31 0.51 0.02 2.02 1.35 -1.99 0.35 112.91 119.48 2qan h THR 5 Ca -0.42 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2qan h THR 5 Cb 1.21 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2qan h THR 5 CO 0.79 0.07 -0.02 -0.08 -0.25 0.00 0.00 175.52 176.04 2qan h GLU 6 N 0.41 -0.04 -0.96 4.72 4.57 -2.00 0.07 114.58 121.36 2qan h GLU 6 Ca 0.52 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.91 2qan h GLU 6 Cb 0.95 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.47 2qan h GLU 6 CO -0.51 -0.02 0.61 0.00 -1.18 0.00 0.00 179.01 177.91 2qan h ALA 7 N -1.75 2.02 0.43 2.92 0.00 -1.85 0.63 119.26 121.66 2qan h ALA 7 Ca -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2qan h ALA 7 Cb 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qan h ALA 7 CO -0.00 -0.35 -0.28 1.15 0.00 0.00 0.00 179.25 179.77 2qan h THR 8 N 0.54 0.00 -0.66 0.00 2.02 0.02 -0.18 112.91 114.65 2qan h THR 8 Ca 0.52 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.78 2qan h THR 8 Cb 1.10 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 2qan h THR 8 CO -0.26 0.00 0.32 0.00 0.37 0.00 0.00 175.52 175.96 2qan h ALA 9 N -1.47 0.89 -0.21 6.16 0.00 -0.45 -1.34 119.26 122.84 2qan h ALA 9 Ca -0.06 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2qan h ALA 9 Cb 0.54 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2qan h ALA 9 CO 0.05 -0.06 -0.39 -0.22 0.00 0.00 0.00 179.25 178.63 2qan h LYS 10 N 0.57 -0.40 0.00 0.00 1.63 -0.73 0.36 116.57 118.00 2qan h LYS 10 Ca 0.32 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 2qan h LYS 10 Cb 0.30 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2qan h LYS 10 CO -0.24 -0.27 0.00 1.51 -3.45 0.00 0.00 179.45 177.00 2qan n ILE 11 N -5.42 0.82 -0.12 2.00 3.06 -0.09 -2.68 119.36 116.92 2qan n ILE 11 Ca -0.03 0.23 -0.07 0.00 -2.50 0.00 0.00 62.75 60.39 2qan n ILE 11 Cb 0.35 -1.17 0.10 0.00 0.54 0.00 0.00 39.64 39.45 2qan n ILE 11 CO 0.00 0.00 0.00 0.58 -2.50 0.00 0.00 176.55 174.63 2qan h VAL 12 N 0.00 1.26 0.15 9.51 2.07 0.22 -3.20 116.25 126.26 2qan h VAL 12 Ca 0.00 -1.19 -0.24 0.00 0.82 0.00 0.00 66.70 66.09 2qan h VAL 12 Cb 0.36 1.01 0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2qan h VAL 12 CO 0.00 0.41 -1.12 0.28 0.02 0.00 0.00 177.57 177.17 2qan h SER 13 N 0.77 0.51 0.00 0.57 0.02 -1.35 0.47 113.55 114.54 2qan h SER 13 Ca 0.13 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 2qan h SER 13 Cb 0.61 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2qan h SER 13 CO 0.04 1.52 0.16 -0.62 -1.14 0.00 0.00 176.83 176.79 2qan n GLU 14 N -3.99 0.02 0.00 3.45 1.02 -1.16 -2.86 120.64 117.12 2qan n GLU 14 Ca -0.18 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 2qan n GLU 14 Cb 0.90 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 2qan n GLU 14 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2qan n PHE 15 N -1.46 0.00 -1.64 -0.32 3.01 -1.21 -5.10 117.46 110.74 2qan n PHE 15 Ca -0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 2qan n PHE 15 Cb 0.16 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.64 2qan n PHE 15 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qan n GLY 16 N 0.23 0.04 0.16 1.37 0.00 0.17 -4.54 105.19 102.63 2qan n GLY 16 Ca 0.00 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.29 2qan n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qan n ARG 17 N 0.22 0.10 0.00 1.61 5.12 -1.26 -4.73 116.66 117.72 2qan n ARG 17 Ca 0.08 0.58 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 2qan n ARG 17 Cb 0.38 -2.06 0.00 0.00 -1.16 0.00 0.00 32.46 29.62 2qan n ARG 17 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2qan n ASP 18 N -2.10 0.00 -3.83 0.55 5.68 -1.26 -5.13 116.55 110.46 2qan n ASP 18 Ca -0.01 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.13 2qan n ASP 18 Cb 0.26 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.08 2qan n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qan s ALA 19 N -1.00 0.15 -1.43 2.12 0.00 -1.26 -4.70 121.76 115.64 2qan s ALA 19 Ca 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 51.96 52.00 2qan s ALA 19 Cb 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2qan s ALA 19 CO 0.00 -0.04 1.02 -1.71 0.00 0.00 0.00 175.76 175.02 2qan n ASN 20 N 3.72 -6.04 -2.10 0.00 5.15 -1.26 -4.90 115.26 109.83 2qan n ASN 20 Ca -0.22 -0.52 -0.25 0.00 -0.60 0.00 0.00 54.58 52.99 2qan n ASN 20 Cb 0.54 -4.79 0.02 0.00 -0.53 0.00 0.00 39.78 35.02 2qan n ASN 20 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2qan n ASP 21 N -2.87 5.15 -4.54 1.20 5.75 -1.26 -5.03 116.55 114.95 2qan n ASP 21 Ca -0.01 -3.75 -0.42 0.00 -0.01 0.00 0.00 54.79 50.60 2qan n ASP 21 Cb 0.57 -0.41 -0.05 0.00 -1.03 0.00 0.00 41.12 40.20 2qan n ASP 21 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2qan n THR 22 N -0.70 0.10 0.00 2.12 -2.24 -1.26 -3.44 114.28 108.86 2qan n THR 22 Ca 0.45 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2qan n THR 22 Cb 0.91 -2.28 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 2qan n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qan n GLY 23 N 6.11 0.00 3.72 3.38 0.00 -1.26 -5.08 105.19 112.06 2qan n GLY 23 Ca 0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 2qan n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qan n SER 24 N 0.00 3.25 -0.33 1.61 2.88 -1.22 -4.69 113.62 115.11 2qan n SER 24 Ca 0.00 1.19 0.24 0.00 -1.33 0.00 0.00 58.87 58.97 2qan n SER 24 Cb 0.00 -1.53 0.47 0.00 -0.75 0.00 0.00 64.21 62.41 2qan n SER 24 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2qan h THR 25 N 2.92 0.25 0.02 2.46 2.02 -1.98 0.36 112.91 118.96 2qan h THR 25 Ca -0.47 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 2qan h THR 25 Cb 1.26 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2qan h THR 25 CO 0.69 0.05 -0.01 -0.33 0.37 0.00 0.00 175.52 176.29 2qan h GLU 26 N 0.26 -0.02 -0.36 6.66 5.08 -1.91 -2.75 114.58 121.55 2qan h GLU 26 Ca 0.74 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 59.18 2qan h GLU 26 Cb 1.71 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.88 2qan h GLU 26 CO -0.64 0.44 -0.21 0.28 -1.00 0.00 0.00 179.01 177.88 2qan h VAL 27 N -0.49 0.41 0.28 3.13 2.07 -0.66 -1.95 116.25 119.04 2qan h VAL 27 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2qan h VAL 27 Cb 0.47 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2qan h VAL 27 CO 0.00 0.00 -0.51 1.56 0.02 0.00 0.00 177.57 178.64 2qan h GLN 28 N -0.16 -0.81 -0.87 1.57 4.20 -0.88 -0.74 115.11 117.42 2qan h GLN 28 Ca 0.18 0.06 0.19 0.00 0.06 0.00 0.00 58.65 59.13 2qan h GLN 28 Cb 0.43 0.19 -0.16 0.00 0.30 0.00 0.00 27.48 28.24 2qan h GLN 28 CO -0.45 -0.54 -0.15 0.28 -0.67 0.00 0.00 178.83 177.30 2qan h VAL 29 N -0.85 0.15 0.74 -0.54 2.07 -1.15 0.23 116.25 116.90 2qan h VAL 29 Ca -0.03 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2qan h VAL 29 Cb 0.79 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2qan h VAL 29 CO -0.19 0.00 -0.46 0.00 0.02 0.00 0.00 177.57 176.95 2qan h ALA 30 N 1.86 -1.25 -0.81 1.67 0.00 -0.79 0.53 119.26 120.47 2qan h ALA 30 Ca 0.44 -0.23 0.23 0.00 0.00 0.00 0.00 54.91 55.35 2qan h ALA 30 Cb 0.73 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2qan h ALA 30 CO -0.86 -1.21 0.60 -0.07 0.00 0.00 0.00 179.25 177.71 2qan h LEU 31 N -1.12 0.00 0.12 0.00 3.38 0.28 -1.63 115.31 116.34 2qan h LEU 31 Ca -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2qan h LEU 31 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2qan h LEU 31 CO 0.10 0.00 -0.06 -0.07 0.09 0.00 0.00 178.44 178.50 2qan h LEU 32 N 0.00 -0.13 -1.98 1.67 -0.00 -0.01 -3.27 115.31 111.59 2qan h LEU 32 Ca 0.38 -0.42 0.21 0.00 -0.00 0.00 0.00 57.88 58.06 2qan h LEU 32 Cb 1.58 0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 42.24 2qan h LEU 32 CO -0.00 0.48 0.53 0.74 -0.00 0.00 0.00 178.44 180.19 2qan h THR 33 N -0.89 0.63 0.00 0.22 2.02 -0.00 -1.00 112.91 113.90 2qan h THR 33 Ca -0.02 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2qan h THR 33 Cb 0.54 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 2qan h THR 33 CO 0.03 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.92 2qan n ALA 34 N -2.68 -0.17 -0.08 6.16 0.00 -0.78 -0.33 120.51 122.64 2qan n ALA 34 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.70 2qan n ALA 34 Cb 0.80 0.12 0.49 0.00 0.00 0.00 0.00 19.45 20.86 2qan n ALA 34 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2qan h GLN 35 N 0.00 0.42 -0.86 0.00 4.20 -1.64 0.24 115.11 117.47 2qan h GLN 35 Ca 0.00 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.74 2qan h GLN 35 Cb 0.00 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.62 2qan h GLN 35 CO 0.00 0.28 0.54 0.82 -0.67 0.00 0.00 178.83 179.79 2qan h ILE 36 N 0.43 1.05 0.17 2.54 1.08 -0.93 0.46 117.51 122.32 2qan h ILE 36 Ca 0.27 -0.34 -0.34 0.00 -0.39 0.00 0.00 64.86 64.06 2qan h ILE 36 Cb 0.48 -0.02 0.01 0.00 -3.07 0.00 0.00 36.82 34.21 2qan h ILE 36 CO -0.07 0.18 -1.69 0.78 -0.69 0.00 0.00 178.15 176.66 2qan h ASN 37 N 0.99 0.57 -0.63 1.72 -0.26 0.79 -3.31 115.58 115.44 2qan h ASN 37 Ca 0.37 -0.82 -0.08 0.00 -0.56 0.00 0.00 56.30 55.21 2qan h ASN 37 Cb 0.16 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.21 2qan h ASN 37 CO -0.17 1.69 0.10 -0.74 -1.06 0.00 0.00 177.43 177.26 2qan h HIS 38 N 0.10 1.12 -0.84 1.19 2.76 -0.36 -3.00 115.15 116.11 2qan h HIS 38 Ca -0.32 -0.15 -0.00 0.00 -2.20 0.00 0.00 60.37 57.70 2qan h HIS 38 Cb 2.08 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 30.69 2qan h HIS 38 CO 0.09 0.94 0.52 -0.07 -1.30 0.00 0.00 177.93 178.11 2qan h LEU 39 N 0.99 1.00 -0.87 0.26 4.07 -0.22 -2.50 115.31 118.05 2qan h LEU 39 Ca 0.20 -0.06 0.23 0.00 0.08 0.00 0.00 57.88 58.33 2qan h LEU 39 Cb 0.43 -0.25 -0.14 0.00 1.08 0.00 0.00 40.66 41.78 2qan h LEU 39 CO 0.01 0.76 0.23 1.56 -1.08 0.00 0.00 178.44 179.93 2qan h GLN 40 N 1.15 0.21 -0.76 1.13 4.20 -1.61 0.92 115.11 120.34 2qan h GLN 40 Ca 0.30 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.07 2qan h GLN 40 Cb -0.06 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.60 2qan h GLN 40 CO -0.06 0.14 0.44 0.78 -0.67 0.00 0.00 178.83 179.46 2qan h GLY 41 N 0.22 1.15 1.38 3.46 0.00 -1.54 1.09 103.07 108.83 2qan h GLY 41 Ca 0.54 -0.30 -0.19 0.00 0.00 0.00 0.00 47.33 47.37 2qan h GLY 41 CO -0.64 0.16 -0.70 0.84 0.00 0.00 0.00 176.54 176.21 2qan h HIS 42 N 0.77 0.82 0.00 5.60 -0.00 0.44 -3.22 115.15 119.56 2qan h HIS 42 Ca 0.35 -0.34 -0.13 0.00 -0.00 0.00 0.00 60.37 60.25 2qan h HIS 42 Cb 0.26 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 2qan h HIS 42 CO -0.07 1.13 -0.63 0.74 -0.00 0.00 0.00 177.93 179.10 2qan h PHE 43 N 0.44 0.00 -0.70 5.26 -1.00 0.14 -2.83 116.94 118.25 2qan h PHE 43 Ca -0.03 0.00 0.14 0.00 2.81 0.00 0.00 57.97 60.89 2qan h PHE 43 Cb 1.29 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.80 2qan h PHE 43 CO 0.06 0.63 0.47 0.00 -1.61 0.00 0.00 178.31 177.86 2qan h ALA 44 N 1.37 2.12 -1.64 2.45 0.00 0.12 -3.19 119.26 120.49 2qan h ALA 44 Ca -0.01 -0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.47 2qan h ALA 44 Cb 1.25 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.01 2qan h ALA 44 CO 0.08 -0.30 -0.21 -2.00 0.00 0.00 0.00 179.25 176.82 2qan s GLU 45 N -5.37 2.83 0.00 0.00 2.12 -1.07 -4.61 118.70 112.60 2qan s GLU 45 Ca -0.08 -1.04 0.00 0.00 0.36 0.00 0.00 54.97 54.21 2qan s GLU 45 Cb 0.21 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.90 2qan s GLU 45 CO 0.76 -0.32 0.00 0.72 -0.54 0.00 0.00 175.26 175.88 2qan n HIS 46 N -1.95 0.00 0.00 5.30 8.25 -1.26 -4.75 115.22 120.81 2qan n HIS 46 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2qan n HIS 46 Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 2qan n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qan n LYS 47 N 0.00 0.00 -0.00 -0.41 5.02 -1.20 -4.47 118.16 117.09 2qan n LYS 47 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 2qan n LYS 47 Cb 0.00 -0.21 0.27 0.00 -0.02 0.00 0.00 35.03 35.07 2qan n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qan n LYS 48 N 0.00 1.02 -1.58 1.97 5.02 -1.26 -4.36 118.16 118.96 2qan n LYS 48 Ca 0.00 -0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.87 2qan n LYS 48 Cb 0.00 -1.14 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 2qan n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qan n ASP 49 N -0.62 7.62 -0.18 4.39 2.03 -1.26 -4.70 116.55 123.83 2qan n ASP 49 Ca 0.07 -2.77 -0.04 0.00 0.52 0.00 0.00 54.79 52.57 2qan n ASP 49 Cb 0.04 -1.53 0.06 0.00 -0.72 0.00 0.00 41.12 38.97 2qan n ASP 49 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2qan h HIS 50 N 5.12 0.51 -0.92 -0.67 3.86 -1.99 -2.47 115.15 118.59 2qan h HIS 50 Ca 0.76 0.02 0.14 0.00 -1.16 0.00 0.00 60.37 60.14 2qan h HIS 50 Cb 0.36 -0.15 -0.08 0.00 1.06 0.00 0.00 27.41 28.61 2qan h HIS 50 CO 1.72 0.25 0.59 0.45 0.86 0.00 0.00 177.93 181.80 2qan h HIS 51 N 0.54 0.90 0.00 2.45 3.86 -1.98 0.23 115.15 121.15 2qan h HIS 51 Ca 0.24 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.41 2qan h HIS 51 Cb 0.14 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 2qan h HIS 51 CO -0.10 0.33 -0.29 0.77 0.86 0.00 0.00 177.93 179.51 2qan h SER 52 N 0.76 0.00 -0.56 2.45 0.02 -1.87 -3.12 113.55 111.23 2qan h SER 52 Ca 0.46 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.39 2qan h SER 52 Cb 0.67 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 2qan h SER 52 CO -0.23 0.29 0.27 -0.09 -1.14 0.00 0.00 176.83 175.93 2qan h ARG 53 N 0.00 0.81 -0.84 3.45 9.65 -0.13 -2.53 114.38 124.80 2qan h ARG 53 Ca -0.00 -0.12 0.21 0.00 -1.10 0.00 0.00 59.98 58.97 2qan h ARG 53 Cb 1.08 -0.15 -0.14 0.00 -1.39 0.00 0.00 29.97 29.37 2qan h ARG 53 CO 0.04 0.66 0.07 0.00 2.80 0.00 0.00 179.97 183.54 2qan h ARG 54 N 0.76 0.11 -0.02 0.20 2.47 -1.36 0.33 114.38 116.88 2qan h ARG 54 Ca 0.19 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.91 2qan h ARG 54 Cb 0.12 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2qan h ARG 54 CO -0.02 0.07 0.01 0.78 0.56 0.00 0.00 179.97 181.37 2qan h GLY 55 N 0.12 0.02 0.16 0.04 0.00 -1.60 -1.49 103.07 100.32 2qan h GLY 55 Ca 0.49 -0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.88 2qan h GLY 55 CO -0.72 0.01 -0.16 -2.00 0.00 0.00 0.00 176.54 173.67 2qan h LEU 56 N -0.11 -0.55 -0.99 3.11 5.85 -0.26 -1.71 115.31 120.64 2qan h LEU 56 Ca 0.01 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2qan h LEU 56 Cb 0.14 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 2qan h LEU 56 CO -0.00 -0.20 0.57 -0.07 -0.34 0.00 0.00 178.44 178.40 2qan h LEU 57 N -0.11 1.12 0.36 2.25 4.07 -0.45 -1.58 115.31 120.97 2qan h LEU 57 Ca 0.17 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 2qan h LEU 57 Cb 0.37 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 2qan h LEU 57 CO -0.41 0.85 -0.23 -0.09 -1.08 0.00 0.00 178.44 177.48 2qan h ARG 58 N 1.29 -0.55 -0.50 1.13 2.43 -0.40 0.18 114.38 117.95 2qan h ARG 58 Ca 0.34 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.59 2qan h ARG 58 Cb -0.07 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2qan h ARG 58 CO -0.06 -0.37 0.33 0.00 -1.51 0.00 0.00 179.97 178.36 2qan h MET 59 N -0.57 0.51 0.87 0.20 -0.00 -1.26 0.38 114.93 115.05 2qan h MET 59 Ca -0.04 -0.03 -0.04 0.00 -0.00 0.00 0.00 59.70 59.59 2qan h MET 59 Cb 0.48 -0.11 0.01 0.00 -0.00 0.00 0.00 31.60 31.97 2qan h MET 59 CO 0.03 0.34 -0.42 0.28 -0.00 0.00 0.00 176.91 177.14 2qan h VAL 60 N 0.52 0.10 -0.84 -0.10 2.07 -0.52 0.04 116.25 117.52 2qan h VAL 60 Ca 0.21 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 2qan h VAL 60 Cb 0.17 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 2qan h VAL 60 CO -0.05 0.00 0.52 0.77 0.02 0.00 0.00 177.57 178.83 2qan h SER 61 N -1.22 1.00 -0.90 0.57 4.64 -0.56 -2.10 113.55 114.98 2qan h SER 61 Ca -0.12 -0.06 0.05 0.00 -0.47 0.00 0.00 61.79 61.20 2qan h SER 61 Cb 0.90 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 62.68 2qan h SER 61 CO 0.20 0.76 0.57 -0.61 -0.87 0.00 0.00 176.83 176.88 2qan h GLN 62 N 1.15 1.04 -0.18 4.77 4.15 -0.14 -0.83 115.11 125.07 2qan h GLN 62 Ca 0.30 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.66 2qan h GLN 62 Cb -0.07 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.38 2qan h GLN 62 CO -0.06 0.69 0.12 -0.09 -1.93 0.00 0.00 178.83 177.56 2qan h ARG 63 N 1.07 0.23 -0.73 1.69 2.43 -0.32 -0.65 114.38 118.10 2qan h ARG 63 Ca 0.38 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.60 2qan h ARG 63 Cb 0.10 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 2qan h ARG 63 CO -0.15 0.15 0.41 -0.09 -1.51 0.00 0.00 179.97 178.79 2qan h ARG 64 N 0.24 0.73 0.00 0.20 9.65 -0.91 0.12 114.38 124.41 2qan h ARG 64 Ca 0.07 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.88 2qan h ARG 64 Cb -0.02 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.39 2qan h ARG 64 CO -0.02 0.48 -0.09 0.87 2.80 0.00 0.00 179.97 184.01 2qan h LYS 65 N 0.75 0.00 0.01 0.20 1.57 -0.66 0.22 116.57 118.66 2qan h LYS 65 Ca 0.33 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2qan h LYS 65 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2qan h LYS 65 CO -0.20 0.09 -0.00 -0.07 -0.57 0.00 0.00 179.45 178.70 2qan h LEU 66 N 0.00 -0.01 0.14 2.94 -0.00 0.69 -3.12 115.31 115.96 2qan h LEU 66 Ca -0.00 -0.78 -0.01 0.00 -0.00 0.00 0.00 57.88 57.09 2qan h LEU 66 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 2qan h LEU 66 CO 0.01 0.87 -0.07 -0.07 -0.00 0.00 0.00 178.44 179.18 2qan h LEU 67 N -0.98 -0.17 -0.95 1.67 3.38 -0.82 -0.73 115.31 116.71 2qan h LEU 67 Ca -0.00 0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.23 2qan h LEU 67 Cb 0.79 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.45 2qan h LEU 67 CO 0.00 -0.12 0.48 0.44 0.09 0.00 0.00 178.44 179.33 2qan h ASP 68 N -0.19 0.44 0.26 -0.43 5.19 -1.10 0.40 116.42 120.98 2qan h ASP 68 Ca -0.02 0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 2qan h ASP 68 Cb 0.15 0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.79 2qan h ASP 68 CO 0.03 -0.03 -0.13 0.22 -3.12 0.00 0.00 179.24 176.21 2qan h TYR 69 N 0.41 -0.33 -0.44 4.55 3.20 -1.33 -2.82 116.97 120.21 2qan h TYR 69 Ca 0.63 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.58 2qan h TYR 69 Cb 1.28 0.11 -0.10 0.00 1.54 0.00 0.00 36.73 39.56 2qan h TYR 69 CO -0.08 0.01 -0.30 1.25 -1.64 0.00 0.00 178.16 177.39 2qan h LEU 70 N -0.70 -1.02 -1.70 2.82 7.12 0.45 0.30 115.31 122.58 2qan h LEU 70 Ca -0.04 0.19 0.13 0.00 0.13 0.00 0.00 57.88 58.30 2qan h LEU 70 Cb 0.48 0.49 -0.04 0.00 -0.53 0.00 0.00 40.66 41.07 2qan h LEU 70 CO 0.06 -0.30 0.44 0.50 -0.13 0.00 0.00 178.44 179.01 2qan h LYS 71 N -0.21 0.31 0.00 1.25 3.11 -1.05 0.39 116.57 120.36 2qan h LYS 71 Ca 0.19 -0.02 -0.17 0.00 -2.81 0.00 0.00 60.65 57.85 2qan h LYS 71 Cb 0.52 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.66 2qan h LYS 71 CO -0.56 0.20 -0.80 0.00 -2.81 0.00 0.00 179.45 175.49 2qan h ARG 72 N 0.32 0.00 -0.02 1.90 3.08 -0.22 -3.14 114.38 116.29 2qan h ARG 72 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2qan h ARG 72 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2qan h ARG 72 CO -0.08 0.80 -0.47 1.63 -1.07 0.00 0.00 179.97 180.78 2qan n LYS 73 N -3.59 1.21 0.00 0.04 4.76 -0.15 -4.85 118.16 115.58 2qan n LYS 73 Ca -0.01 -1.00 0.00 0.00 -2.87 0.00 0.00 58.31 54.43 2qan n LYS 73 Cb 0.77 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 2qan n LYS 73 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2qan n ASP 74 N -0.02 0.00 0.25 4.39 -0.08 0.12 -5.01 116.55 116.20 2qan n ASP 74 Ca 0.09 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.51 2qan n ASP 74 Cb 0.47 0.00 0.75 0.00 2.34 0.00 0.00 41.12 44.68 2qan n ASP 74 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2qan h VAL 75 N 0.00 0.00 0.02 5.18 2.07 -1.71 -3.03 116.25 118.78 2qan h VAL 75 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2qan h VAL 75 Cb 0.00 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2qan h VAL 75 CO 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.58 2qan h ALA 76 N 1.66 -0.58 -1.00 1.67 0.00 -1.90 -2.86 119.26 116.25 2qan h ALA 76 Ca 0.00 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.12 2qan h ALA 76 Cb 0.29 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 2qan h ALA 76 CO 0.00 -0.58 0.62 0.00 0.00 0.00 0.00 179.25 179.29 2qan h ARG 77 N -0.05 0.59 0.41 0.00 3.08 -1.90 -1.61 114.38 114.90 2qan h ARG 77 Ca -0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2qan h ARG 77 Cb 0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2qan h ARG 77 CO 0.01 0.39 -0.31 -0.92 -1.07 0.00 0.00 179.97 178.07 2qan h TYR 78 N 0.60 -0.82 -0.26 3.04 3.20 -1.63 0.76 116.97 121.86 2qan h TYR 78 Ca 0.58 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.43 2qan h TYR 78 Cb 1.12 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.68 2qan h TYR 78 CO -0.00 -0.46 0.11 1.79 -1.64 0.00 0.00 178.16 177.96 2qan h THR 79 N -0.71 1.10 0.21 1.81 1.35 -1.11 -2.34 112.91 113.22 2qan h THR 79 Ca -0.04 -0.32 -0.32 0.00 -0.55 0.00 0.00 66.41 65.19 2qan h THR 79 Cb 0.61 0.78 0.02 0.00 -1.73 0.00 0.00 68.15 67.84 2qan h THR 79 CO 0.01 0.12 -1.41 1.56 -0.25 0.00 0.00 175.52 175.54 2qan h GLN 80 N 0.37 0.44 -0.21 4.72 4.20 -0.97 -3.34 115.11 120.32 2qan h GLN 80 Ca 0.09 -0.74 -0.00 0.00 0.06 0.00 0.00 58.65 58.06 2qan h GLN 80 Cb 0.07 0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2qan h GLN 80 CO -0.01 1.35 0.12 1.25 -0.67 0.00 0.00 178.83 180.87 2qan h LEU 81 N 0.12 0.26 -0.90 1.46 6.46 0.84 -2.85 115.31 120.70 2qan h LEU 81 Ca -0.22 -0.07 0.18 0.00 -0.12 0.00 0.00 57.88 57.65 2qan h LEU 81 Cb 2.10 -0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 41.86 2qan h LEU 81 CO 0.25 0.26 0.48 0.40 -0.62 0.00 0.00 178.44 179.20 2qan h ILE 82 N 0.25 0.66 0.51 4.05 2.04 -1.56 -2.71 117.51 120.75 2qan h ILE 82 Ca 0.08 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2qan h ILE 82 Cb 0.05 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 2qan h ILE 82 CO -0.01 0.11 -0.40 -0.08 0.00 0.00 0.00 178.15 177.77 2qan h GLU 83 N 0.61 -0.86 0.00 2.37 4.57 -1.62 1.32 114.58 120.98 2qan h GLU 83 Ca 0.52 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.76 2qan h GLU 83 Cb 0.82 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 2qan h GLU 83 CO -0.41 -0.57 0.05 0.54 -1.18 0.00 0.00 179.01 177.44 2qan n ARG 84 N -5.51 0.10 0.00 1.92 1.74 -1.04 -1.01 116.66 112.86 2qan n ARG 84 Ca -0.12 0.58 0.01 0.00 -0.77 0.00 0.00 57.85 57.56 2qan n ARG 84 Cb 0.41 -1.87 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 2qan n ARG 84 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qan n LEU 85 N -2.03 0.68 -2.14 0.55 4.32 -0.82 -5.00 117.00 112.56 2qan n LEU 85 Ca -0.01 -0.78 -0.15 0.00 -0.02 0.00 0.00 56.01 55.05 2qan n LEU 85 Cb 0.07 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.85 2qan n LEU 85 CO 0.07 0.16 -0.18 0.61 -1.22 0.00 0.00 177.39 176.83 2qan n GLY 86 N 0.51 0.05 0.00 -0.72 0.00 0.45 -4.95 105.19 100.52 2qan n GLY 86 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2qan n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qan n LEU 87 N -2.61 0.00 -3.77 0.99 4.77 -0.72 -4.60 117.00 111.06 2qan n LEU 87 Ca -0.17 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.55 2qan n LEU 87 Cb 0.59 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.70 2qan n LEU 87 CO 0.21 -0.33 -0.13 -1.14 -1.33 0.00 0.00 177.39 174.67 2qan n ARG 88 N -0.50 -2.94 -0.69 3.23 3.00 -1.26 -4.90 116.66 112.60 2qan n ARG 88 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 57.85 58.34 2qan n ARG 88 Cb 0.00 -4.59 0.00 0.00 0.00 0.00 0.00 32.46 27.87 2qan n ARG 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17