#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qp0 s LEU 3 N 0.00 2.41 0.74 -3.43 2.96 -1.26 -5.00 118.68 115.10 2qp0 s LEU 3 Ca 0.00 -0.83 -0.14 0.00 -0.22 0.00 0.00 54.13 52.94 2qp0 s LEU 3 Cb 0.00 -0.90 0.04 0.00 0.50 0.00 0.00 46.19 45.84 2qp0 s LEU 3 CO 0.00 0.01 1.16 -0.55 -1.32 0.00 0.00 176.35 175.65 2qp0 s SER 4 N -2.53 4.33 0.02 3.68 0.15 -1.26 -4.94 113.70 113.15 2qp0 s SER 4 Ca 0.15 2.19 -0.07 0.00 0.70 0.00 0.00 55.95 58.91 2qp0 s SER 4 Cb -0.07 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 2qp0 s SER 4 CO 0.07 -2.16 1.11 0.71 1.20 0.00 0.00 173.24 174.17 2qp0 h THR 5 N -0.46 0.00 -0.49 6.45 1.35 -2.01 -2.85 112.91 114.90 2qp0 h THR 5 Ca -0.46 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.38 2qp0 h THR 5 Cb 1.27 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 2qp0 h THR 5 CO 0.50 0.00 0.27 1.05 -0.25 0.00 0.00 175.52 177.09 2qp0 h GLU 6 N -0.23 0.69 -1.43 4.72 -0.00 -2.00 -2.44 114.58 113.90 2qp0 h GLU 6 Ca -0.02 -0.08 0.48 0.00 -0.00 0.00 0.00 59.36 59.74 2qp0 h GLU 6 Cb 0.19 -0.13 -0.13 0.00 -0.00 0.00 0.00 28.75 28.68 2qp0 h GLU 6 CO 0.01 0.54 0.93 0.00 -0.00 0.00 0.00 179.01 180.49 2qp0 n ALA 7 N -2.28 1.41 -0.57 1.06 0.00 -1.21 0.94 120.51 119.85 2qp0 n ALA 7 Ca 0.02 0.83 0.00 0.00 0.00 0.00 0.00 53.44 54.29 2qp0 n ALA 7 Cb 0.09 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2qp0 n ALA 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2qp0 n THR 8 N -4.59 0.00 -0.31 0.00 -1.04 -0.92 -2.42 114.28 105.00 2qp0 n THR 8 Ca 0.40 0.67 0.14 0.00 -2.04 0.00 0.00 64.05 63.22 2qp0 n THR 8 Cb 1.60 -1.35 0.29 0.00 -1.82 0.00 0.00 70.33 69.05 2qp0 n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qp0 h ALA 9 N -2.00 1.25 -0.03 2.41 0.00 -1.34 -1.60 119.26 117.94 2qp0 h ALA 9 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2qp0 h ALA 9 Cb 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2qp0 h ALA 9 CO 0.00 -0.52 -0.07 -0.22 0.00 0.00 0.00 179.25 178.45 2qp0 h LYS 10 N 0.13 -0.06 0.00 0.00 1.63 0.45 0.05 116.57 118.78 2qp0 h LYS 10 Ca 0.57 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.37 2qp0 h LYS 10 Cb 1.17 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2qp0 h LYS 10 CO -0.73 -0.04 0.32 -0.84 -3.45 0.00 0.00 179.45 174.71 2qp0 h ILE 11 N -0.06 0.00 -0.12 2.00 -0.00 -0.96 -0.04 117.51 118.34 2qp0 h ILE 11 Ca 0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 64.86 64.64 2qp0 h ILE 11 Cb 0.08 0.54 0.01 0.00 -0.00 0.00 0.00 36.82 37.46 2qp0 h ILE 11 CO -0.06 0.00 -0.80 0.58 -0.00 0.00 0.00 178.15 177.86 2qp0 h VAL 12 N 0.00 1.29 0.00 0.16 2.07 -0.48 -3.23 116.25 116.06 2qp0 h VAL 12 Ca 0.00 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.51 2qp0 h VAL 12 Cb 0.63 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2qp0 h VAL 12 CO 0.00 0.63 0.00 -1.20 0.02 0.00 0.00 177.57 177.02 2qp0 n SER 13 N -3.96 4.39 0.00 0.57 7.64 -0.03 -1.91 113.62 120.32 2qp0 n SER 13 Ca -0.08 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.63 2qp0 n SER 13 Cb 0.76 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2qp0 n SER 13 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2qp0 n GLU 14 N 1.37 0.61 0.00 1.43 1.02 -1.22 -4.92 120.64 118.94 2qp0 n GLU 14 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2qp0 n GLU 14 Cb 0.45 -0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 2qp0 n GLU 14 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2qp0 n PHE 15 N 0.00 0.00 -1.58 -0.32 3.01 -1.13 -5.10 117.46 112.34 2qp0 n PHE 15 Ca 0.00 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 57.97 2qp0 n PHE 15 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 2qp0 n PHE 15 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qp0 n GLY 16 N 0.00 0.15 0.37 1.37 0.00 -0.80 -4.56 105.19 101.72 2qp0 n GLY 16 Ca 0.00 0.57 0.18 0.00 0.00 0.00 0.00 46.02 46.77 2qp0 n GLY 16 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qp0 h ARG 17 N 3.63 0.00 0.00 1.61 2.47 -1.91 -3.39 114.38 116.79 2qp0 h ARG 17 Ca -0.44 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 2qp0 h ARG 17 Cb 1.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.66 2qp0 h ARG 17 CO 0.72 0.00 0.00 -0.25 0.56 0.00 0.00 179.97 181.00 2qp0 n ASP 18 N -3.34 0.00 0.00 7.04 10.43 -1.26 -5.17 116.55 124.25 2qp0 n ASP 18 Ca 0.03 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.39 2qp0 n ASP 18 Cb 0.53 0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.51 2qp0 n ASP 18 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qp0 n ALA 19 N -1.32 0.00 0.00 2.24 0.00 -1.26 -4.97 120.51 115.21 2qp0 n ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qp0 n ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qp0 n ALA 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qp0 n ASN 20 N 0.00 0.00 -4.67 0.00 5.15 -1.26 -4.93 115.26 109.55 2qp0 n ASN 20 Ca 0.00 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.57 2qp0 n ASN 20 Cb 0.00 -0.59 -0.04 0.00 -0.53 0.00 0.00 39.78 38.62 2qp0 n ASN 20 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2qp0 s ASP 21 N -2.12 6.94 -0.02 1.20 -4.77 -1.26 -4.91 116.67 111.73 2qp0 s ASP 21 Ca 0.00 1.16 0.17 0.00 -3.30 0.00 0.00 52.55 50.58 2qp0 s ASP 21 Cb 0.00 -2.45 -0.24 0.00 -1.09 0.00 0.00 42.92 39.14 2qp0 s ASP 21 CO 0.00 -0.39 0.50 0.35 0.70 0.00 0.00 175.17 176.33 2qp0 n THR 22 N 4.72 0.00 0.28 2.11 -2.24 -1.26 -4.36 114.28 113.54 2qp0 n THR 22 Ca 0.04 -0.30 0.18 0.00 -2.27 0.00 0.00 64.05 61.70 2qp0 n THR 22 Cb 0.49 0.41 0.71 0.00 -2.10 0.00 0.00 70.33 69.84 2qp0 n THR 22 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2qp0 h GLY 23 N 3.49 0.00 -6.16 3.38 0.00 -2.01 -3.40 103.07 98.37 2qp0 h GLY 23 Ca 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 47.33 46.55 2qp0 h GLY 23 CO 0.00 0.00 0.42 -1.26 0.00 0.00 0.00 176.54 175.70 2qp0 n SER 24 N -3.07 1.00 -0.05 0.19 2.88 -1.26 -4.78 113.62 108.53 2qp0 n SER 24 Ca 0.00 1.15 -0.13 0.00 -1.33 0.00 0.00 58.87 58.56 2qp0 n SER 24 Cb 0.29 -1.00 -0.09 0.00 -0.75 0.00 0.00 64.21 62.66 2qp0 n SER 24 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2qp0 h THR 25 N 3.88 0.00 -0.81 2.46 2.02 -1.96 -0.73 112.91 117.76 2qp0 h THR 25 Ca -0.48 0.00 0.19 0.00 0.77 0.00 0.00 66.41 66.89 2qp0 h THR 25 Cb 1.38 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.65 2qp0 h THR 25 CO 0.80 0.00 0.03 -0.33 0.37 0.00 0.00 175.52 176.40 2qp0 h GLU 26 N -0.46 0.10 -0.05 6.66 5.08 -1.89 -0.51 114.58 123.52 2qp0 h GLU 26 Ca 0.04 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2qp0 h GLU 26 Cb 0.59 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 2qp0 h GLU 26 CO -0.45 0.07 -0.35 0.28 -1.00 0.00 0.00 179.01 177.56 2qp0 h VAL 27 N 0.10 0.26 -0.62 3.13 2.07 -1.40 -1.92 116.25 117.87 2qp0 h VAL 27 Ca 0.46 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.10 2qp0 h VAL 27 Cb 0.84 0.26 -0.11 0.00 -1.52 0.00 0.00 31.29 30.75 2qp0 h VAL 27 CO -0.71 0.00 -0.08 1.56 0.02 0.00 0.00 177.57 178.36 2qp0 h GLN 28 N -0.47 0.05 0.00 1.57 4.20 -0.33 0.58 115.11 120.70 2qp0 h GLN 28 Ca 0.07 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2qp0 h GLN 28 Cb 0.58 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2qp0 h GLN 28 CO -0.31 0.03 0.00 0.28 -0.67 0.00 0.00 178.83 178.16 2qp0 n VAL 29 N -5.36 0.00 -0.34 -0.54 0.31 -0.88 -0.18 118.33 111.34 2qp0 n VAL 29 Ca 0.08 1.39 0.17 0.00 -0.01 0.00 0.00 64.34 65.97 2qp0 n VAL 29 Cb 0.34 -2.30 0.38 0.00 -0.91 0.00 0.00 33.84 31.35 2qp0 n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qp0 h ALA 30 N -1.86 1.75 0.07 3.52 0.00 -1.19 0.29 119.26 121.83 2qp0 h ALA 30 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qp0 h ALA 30 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qp0 h ALA 30 CO 0.00 -0.27 -0.03 1.25 0.00 0.00 0.00 179.25 180.20 2qp0 h LEU 31 N 0.57 -0.08 -0.97 0.00 7.12 0.31 -2.90 115.31 119.37 2qp0 h LEU 31 Ca 0.64 -0.11 -0.02 0.00 0.13 0.00 0.00 57.88 58.51 2qp0 h LEU 31 Cb 1.20 0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 41.31 2qp0 h LEU 31 CO -0.48 0.06 0.41 -0.07 -0.13 0.00 0.00 178.44 178.23 2qp0 h LEU 32 N -0.22 1.03 -1.96 2.25 3.38 0.82 -1.87 115.31 118.73 2qp0 h LEU 32 Ca -0.01 -0.11 0.18 0.00 0.09 0.00 0.00 57.88 58.03 2qp0 h LEU 32 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2qp0 h LEU 32 CO 0.02 0.85 0.53 0.74 0.09 0.00 0.00 178.44 180.66 2qp0 h THR 33 N 1.13 0.47 0.52 0.22 2.02 -0.80 0.57 112.91 117.05 2qp0 h THR 33 Ca 0.28 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.43 2qp0 h THR 33 Cb 0.08 0.61 0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2qp0 h THR 33 CO -0.04 0.00 -0.25 0.00 0.37 0.00 0.00 175.52 175.60 2qp0 h ALA 34 N 1.52 -0.99 -0.87 6.16 0.00 -1.23 0.17 119.26 124.02 2qp0 h ALA 34 Ca 0.29 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2qp0 h ALA 34 Cb 1.34 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 19.34 2qp0 h ALA 34 CO -0.00 -0.94 0.55 1.96 0.00 0.00 0.00 179.25 180.83 2qp0 h GLN 35 N -0.84 1.02 0.71 0.00 7.50 -1.46 -0.28 115.11 121.75 2qp0 h GLN 35 Ca -0.07 -0.06 -0.03 0.00 0.50 0.00 0.00 58.65 58.99 2qp0 h GLN 35 Cb 0.54 -0.23 -0.01 0.00 0.05 0.00 0.00 27.48 27.83 2qp0 h GLN 35 CO 0.12 0.67 -0.48 0.82 -1.50 0.00 0.00 178.83 178.46 2qp0 h ILE 36 N 1.05 0.04 0.00 2.54 1.08 -0.90 0.12 117.51 121.43 2qp0 h ILE 36 Ca 0.36 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.83 2qp0 h ILE 36 Cb 0.09 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 33.87 2qp0 h ILE 36 CO -0.14 0.00 0.00 -3.20 -0.69 0.00 0.00 178.15 174.12 2qp0 n ASN 37 N -5.60 0.00 -0.11 1.72 2.85 0.59 -3.05 115.26 111.65 2qp0 n ASN 37 Ca -0.14 0.23 -0.25 0.00 -0.11 0.00 0.00 54.58 54.31 2qp0 n ASN 37 Cb 0.48 -0.34 -0.11 0.00 1.24 0.00 0.00 39.78 41.05 2qp0 n ASN 37 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2qp0 n HIS 38 N -1.34 0.60 -0.44 1.20 -0.00 -0.14 -4.26 115.22 110.84 2qp0 n HIS 38 Ca 0.05 0.23 0.41 0.00 0.46 0.00 0.00 57.72 58.86 2qp0 n HIS 38 Cb 0.10 -1.06 0.76 0.00 -0.12 0.00 0.00 29.99 29.67 2qp0 n HIS 38 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2qp0 h LEU 39 N -0.82 0.00 -0.88 0.27 -0.00 -0.72 -0.37 115.31 112.79 2qp0 h LEU 39 Ca -0.51 0.00 0.24 0.00 -0.00 0.00 0.00 57.88 57.61 2qp0 h LEU 39 Cb 1.54 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 42.03 2qp0 h LEU 39 CO -0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 178.44 178.18 2qp0 n GLN 40 N -4.02 -0.07 0.20 1.13 1.13 -1.25 0.05 117.38 114.55 2qp0 n GLN 40 Ca 0.31 1.32 -0.08 0.00 -1.94 0.00 0.00 57.00 56.62 2qp0 n GLN 40 Cb 1.51 -2.09 -0.04 0.00 0.11 0.00 0.00 30.24 29.73 2qp0 n GLN 40 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2qp0 h GLY 41 N 0.00 -0.54 -0.32 1.08 0.00 -1.35 1.56 103.07 103.50 2qp0 h GLY 41 Ca 0.52 0.20 0.30 0.00 0.00 0.00 0.00 47.33 48.35 2qp0 h GLY 41 CO -0.84 -0.20 0.70 0.84 0.00 0.00 0.00 176.54 177.05 2qp0 h HIS 42 N -0.54 0.64 0.00 5.60 -0.00 -1.19 0.42 115.15 120.08 2qp0 h HIS 42 Ca -0.05 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.30 2qp0 h HIS 42 Cb 0.40 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 2qp0 h HIS 42 CO 0.13 0.00 -0.81 0.74 -0.00 0.00 0.00 177.93 177.99 2qp0 h PHE 43 N 0.33 0.00 -1.00 5.26 0.05 -0.24 -3.30 116.94 118.05 2qp0 h PHE 43 Ca 0.64 0.00 0.13 0.00 3.82 0.00 0.00 57.97 62.56 2qp0 h PHE 43 Cb 1.71 0.00 -0.09 0.00 2.00 0.00 0.00 35.95 39.57 2qp0 h PHE 43 CO -0.00 0.14 0.62 0.00 -0.18 0.00 0.00 178.31 178.89 2qp0 h ALA 44 N 1.86 1.54 -5.27 2.45 0.00 0.69 -3.26 119.26 117.28 2qp0 h ALA 44 Ca -0.03 0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 2qp0 h ALA 44 Cb 1.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2qp0 h ALA 44 CO 0.01 0.16 -0.07 0.39 0.00 0.00 0.00 179.25 179.75 2qp0 n GLU 45 N -4.66 0.86 0.00 0.00 1.02 -1.13 -4.65 120.64 112.09 2qp0 n GLU 45 Ca 0.20 -1.70 0.00 0.00 -0.02 0.00 0.00 57.16 55.64 2qp0 n GLU 45 Cb 0.40 -0.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.78 2qp0 n GLU 45 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2qp0 n HIS 46 N -1.54 0.00 0.00 -0.32 8.25 -1.26 -4.77 115.22 115.58 2qp0 n HIS 46 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2qp0 n HIS 46 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 2qp0 n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qp0 n LYS 47 N 0.00 0.00 0.00 -0.41 5.02 -1.23 -4.13 118.16 117.41 2qp0 n LYS 47 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 2qp0 n LYS 47 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.08 2qp0 n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qp0 n LYS 48 N 0.00 0.08 -2.21 1.97 4.76 -1.26 -4.41 118.16 117.08 2qp0 n LYS 48 Ca 0.00 0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.13 2qp0 n LYS 48 Cb 0.00 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.65 2qp0 n LYS 48 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2qp0 s ASP 49 N -2.03 5.55 0.02 4.39 -1.08 -1.26 -4.74 116.67 117.52 2qp0 s ASP 49 Ca 0.04 -1.64 -0.19 0.00 -0.52 0.00 0.00 52.55 50.23 2qp0 s ASP 49 Cb 0.02 -2.58 -0.22 0.00 -1.46 0.00 0.00 42.92 38.67 2qp0 s ASP 49 CO 0.03 -2.50 1.13 0.45 0.52 0.00 0.00 175.17 174.80 2qp0 h HIS 50 N 9.55 0.65 -0.36 -5.34 3.86 -1.98 -2.88 115.15 118.64 2qp0 h HIS 50 Ca 0.24 -0.34 0.08 0.00 -1.16 0.00 0.00 60.37 59.20 2qp0 h HIS 50 Cb 0.94 -0.08 -0.08 0.00 1.06 0.00 0.00 27.41 29.25 2qp0 h HIS 50 CO 1.26 1.15 -0.20 0.45 0.86 0.00 0.00 177.93 181.44 2qp0 h HIS 51 N -0.03 -0.52 0.00 2.45 3.86 -1.98 0.92 115.15 119.84 2qp0 h HIS 51 Ca -0.07 0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.12 2qp0 h HIS 51 Cb 1.29 0.29 -0.01 0.00 1.06 0.00 0.00 27.41 30.04 2qp0 h HIS 51 CO 0.14 -0.28 -0.29 0.77 0.86 0.00 0.00 177.93 179.12 2qp0 h SER 52 N -0.15 0.00 -0.19 2.45 0.02 -1.98 -3.00 113.55 110.70 2qp0 h SER 52 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2qp0 h SER 52 Cb 0.43 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2qp0 h SER 52 CO -0.46 0.29 0.12 -0.09 -1.14 0.00 0.00 176.83 175.56 2qp0 h ARG 53 N 0.00 0.26 -1.21 3.45 9.65 -0.66 -1.89 114.38 123.99 2qp0 h ARG 53 Ca -0.00 -0.02 0.35 0.00 -1.10 0.00 0.00 59.98 59.21 2qp0 h ARG 53 Cb 0.79 -0.06 -0.09 0.00 -1.39 0.00 0.00 29.97 29.22 2qp0 h ARG 53 CO 0.04 0.19 0.81 -0.09 2.80 0.00 0.00 179.97 183.72 2qp0 h ARG 54 N 0.25 0.19 0.32 0.20 2.43 -0.96 0.31 114.38 117.12 2qp0 h ARG 54 Ca 0.07 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2qp0 h ARG 54 Cb -0.00 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2qp0 h ARG 54 CO -0.01 0.12 -0.15 0.78 -1.51 0.00 0.00 179.97 179.20 2qp0 h GLY 55 N 0.19 -0.44 0.01 2.80 0.00 -1.45 -2.47 103.07 101.71 2qp0 h GLY 55 Ca 0.68 0.16 0.18 0.00 0.00 0.00 0.00 47.33 48.35 2qp0 h GLY 55 CO -0.26 -0.16 0.36 -2.00 0.00 0.00 0.00 176.54 174.48 2qp0 h LEU 56 N -0.72 0.33 -0.08 3.11 5.85 -0.90 -1.05 115.31 121.85 2qp0 h LEU 56 Ca -0.04 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2qp0 h LEU 56 Cb 0.49 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2qp0 h LEU 56 CO 0.07 0.08 0.05 -0.07 -0.34 0.00 0.00 178.44 178.23 2qp0 h LEU 57 N 0.45 0.08 -0.33 2.25 4.07 -1.36 0.73 115.31 121.20 2qp0 h LEU 57 Ca 0.48 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.50 2qp0 h LEU 57 Cb 0.81 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.49 2qp0 h LEU 57 CO -0.45 0.06 0.01 -0.09 -1.08 0.00 0.00 178.44 176.88 2qp0 h ARG 58 N 0.10 0.10 -0.18 1.13 1.12 -0.74 -0.06 114.38 115.86 2qp0 h ARG 58 Ca 0.03 -0.01 -0.18 0.00 -1.11 0.00 0.00 59.98 58.72 2qp0 h ARG 58 Cb -0.00 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 29.93 2qp0 h ARG 58 CO -0.02 0.07 -0.61 0.00 -3.11 0.00 0.00 179.97 176.31 2qp0 h MET 59 N 0.11 0.60 0.38 0.20 -0.00 -1.15 -0.91 114.93 114.16 2qp0 h MET 59 Ca 0.16 -0.41 -0.01 0.00 -0.00 0.00 0.00 59.70 59.44 2qp0 h MET 59 Cb 0.21 0.06 -0.02 0.00 -0.00 0.00 0.00 31.60 31.85 2qp0 h MET 59 CO -0.26 1.03 -0.34 0.28 -0.00 0.00 0.00 176.91 177.62 2qp0 h VAL 60 N 0.45 0.30 -0.61 -0.10 2.07 0.10 -1.10 116.25 117.36 2qp0 h VAL 60 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2qp0 h VAL 60 Cb 1.17 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2qp0 h VAL 60 CO 0.12 0.00 0.27 0.77 0.02 0.00 0.00 177.57 178.74 2qp0 h SER 61 N -0.74 0.78 -0.61 0.57 4.64 -1.06 -2.41 113.55 114.73 2qp0 h SER 61 Ca -0.03 -0.09 0.10 0.00 -0.47 0.00 0.00 61.79 61.30 2qp0 h SER 61 Cb 0.65 -0.20 -0.08 0.00 -0.31 0.00 0.00 62.40 62.46 2qp0 h SER 61 CO -0.04 0.69 0.19 -0.61 -0.87 0.00 0.00 176.83 176.19 2qp0 h GLN 62 N 0.86 0.34 -0.26 4.77 5.75 -0.58 0.19 115.11 126.18 2qp0 h GLN 62 Ca 0.21 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 2qp0 h GLN 62 Cb 0.13 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 2qp0 h GLN 62 CO -0.02 0.23 0.16 -0.09 -2.65 0.00 0.00 178.83 176.45 2qp0 h ARG 63 N 0.35 0.35 0.64 1.69 2.43 -0.72 -2.40 114.38 116.72 2qp0 h ARG 63 Ca 0.31 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2qp0 h ARG 63 Cb 0.43 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2qp0 h ARG 63 CO -0.35 0.27 -0.50 -0.09 -1.51 0.00 0.00 179.97 177.79 2qp0 h ARG 64 N 0.33 -1.06 -0.38 0.20 9.65 -1.00 -0.42 114.38 121.70 2qp0 h ARG 64 Ca 0.09 0.07 0.11 0.00 -1.10 0.00 0.00 59.98 59.16 2qp0 h ARG 64 Cb 0.00 0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 2qp0 h ARG 64 CO -0.02 -0.71 0.68 0.87 2.80 0.00 0.00 179.97 183.60 2qp0 h LYS 65 N -1.10 0.00 0.00 0.20 1.57 -0.59 -1.30 116.57 115.35 2qp0 h LYS 65 Ca -0.08 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2qp0 h LYS 65 Cb 0.92 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 2qp0 h LYS 65 CO 0.01 0.00 -0.32 -0.07 -0.57 0.00 0.00 179.45 178.50 2qp0 h LEU 66 N 0.00 0.00 -0.48 2.94 3.38 -0.70 -3.32 115.31 117.13 2qp0 h LEU 66 Ca 0.18 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.98 2qp0 h LEU 66 Cb 1.54 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.20 2qp0 h LEU 66 CO -0.00 0.80 -0.49 -0.07 0.09 0.00 0.00 178.44 178.76 2qp0 h LEU 67 N -1.00 -1.66 -1.18 1.67 3.38 0.02 0.72 115.31 117.26 2qp0 h LEU 67 Ca -0.05 0.24 0.39 0.00 0.09 0.00 0.00 57.88 58.56 2qp0 h LEU 67 Cb 0.50 0.71 -0.15 0.00 0.09 0.00 0.00 40.66 41.82 2qp0 h LEU 67 CO -0.03 -0.37 0.68 0.44 0.09 0.00 0.00 178.44 179.26 2qp0 h ASP 68 N -0.31 0.35 0.30 -0.43 5.19 -1.63 0.39 116.42 120.27 2qp0 h ASP 68 Ca 0.13 0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.70 2qp0 h ASP 68 Cb 0.58 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.25 2qp0 h ASP 68 CO -0.63 -0.22 -0.14 0.22 -3.12 0.00 0.00 179.24 175.34 2qp0 h TYR 69 N 0.14 -0.37 -0.60 4.55 3.20 0.25 -3.10 116.97 121.04 2qp0 h TYR 69 Ca 0.80 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.77 2qp0 h TYR 69 Cb 2.20 0.12 -0.09 0.00 1.54 0.00 0.00 36.73 40.50 2qp0 h TYR 69 CO -0.01 -0.02 0.08 1.25 -1.64 0.00 0.00 178.16 177.83 2qp0 h LEU 70 N -0.86 -0.09 -0.98 2.82 6.46 0.19 -0.13 115.31 122.72 2qp0 h LEU 70 Ca -0.04 0.12 0.15 0.00 -0.12 0.00 0.00 57.88 57.99 2qp0 h LEU 70 Cb 0.52 0.19 -0.09 0.00 -0.73 0.00 0.00 40.66 40.54 2qp0 h LEU 70 CO 0.07 -0.03 0.59 0.50 -0.62 0.00 0.00 178.44 178.94 2qp0 h LYS 71 N 0.21 0.82 0.20 1.25 3.11 -0.83 -0.59 116.57 120.74 2qp0 h LYS 71 Ca 0.31 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 58.09 2qp0 h LYS 71 Cb 0.48 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.53 2qp0 h LYS 71 CO -0.44 0.54 -0.10 0.00 -2.81 0.00 0.00 179.45 176.65 2qp0 h ARG 72 N 0.85 -0.26 0.00 1.90 3.08 -0.97 -0.48 114.38 118.51 2qp0 h ARG 72 Ca 0.52 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.58 2qp0 h ARG 72 Cb 0.66 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 2qp0 h ARG 72 CO -0.32 0.10 -0.04 0.87 -1.07 0.00 0.00 179.97 179.51 2qp0 h LYS 73 N -0.68 0.00 -0.30 0.04 1.79 -1.00 -3.39 116.57 113.02 2qp0 h LYS 73 Ca -0.03 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.54 2qp0 h LYS 73 Cb 0.48 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 30.96 2qp0 h LYS 73 CO 0.05 0.04 -0.15 0.34 -1.08 0.00 0.00 179.45 178.64 2qp0 s ASP 74 N -5.97 -0.46 0.53 0.86 -1.08 -0.26 -5.02 116.67 105.27 2qp0 s ASP 74 Ca -0.04 -0.25 0.32 0.00 -0.52 0.00 0.00 52.55 52.06 2qp0 s ASP 74 Cb 0.14 0.59 1.48 0.00 -1.46 0.00 0.00 42.92 43.67 2qp0 s ASP 74 CO 0.54 -0.05 1.87 0.58 0.52 0.00 0.00 175.17 178.63 2qp0 h VAL 75 N 3.55 0.52 0.34 1.11 2.07 -1.25 -2.55 116.25 120.05 2qp0 h VAL 75 Ca -0.03 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2qp0 h VAL 75 Cb 1.22 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2qp0 h VAL 75 CO -0.06 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.38 2qp0 h ALA 76 N 1.52 -0.98 -0.71 1.67 0.00 -1.91 -2.67 119.26 116.19 2qp0 h ALA 76 Ca 0.46 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.41 2qp0 h ALA 76 Cb 1.81 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 19.64 2qp0 h ALA 76 CO -0.02 -0.94 -0.17 0.00 0.00 0.00 0.00 179.25 178.12 2qp0 h ARG 77 N -0.51 0.00 0.12 0.00 3.08 -1.82 -0.82 114.38 114.44 2qp0 h ARG 77 Ca -0.05 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.01 2qp0 h ARG 77 Cb 0.35 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 2qp0 h ARG 77 CO 0.08 0.00 -0.41 -0.92 -1.07 0.00 0.00 179.97 177.65 2qp0 h TYR 78 N 0.00 -1.19 -0.30 3.04 3.20 -1.56 0.30 116.97 120.47 2qp0 h TYR 78 Ca 0.34 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.30 2qp0 h TYR 78 Cb 0.53 0.50 -0.06 0.00 1.54 0.00 0.00 36.73 39.24 2qp0 h TYR 78 CO -0.56 -0.47 -0.08 1.79 -1.64 0.00 0.00 178.16 177.19 2qp0 h THR 79 N -0.61 0.70 0.00 1.81 1.35 -1.08 0.15 112.91 115.23 2qp0 h THR 79 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2qp0 h THR 79 Cb 0.60 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 2qp0 h THR 79 CO -0.21 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.06 2qp0 n GLN 80 N -5.25 0.16 0.03 4.72 1.13 -0.36 -2.27 117.38 115.54 2qp0 n GLN 80 Ca -0.00 0.52 -0.16 0.00 -1.94 0.00 0.00 57.00 55.42 2qp0 n GLN 80 Cb 0.17 -1.88 -0.14 0.00 0.11 0.00 0.00 30.24 28.50 2qp0 n GLN 80 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2qp0 h LEU 81 N 0.00 0.29 -0.29 1.08 6.46 0.24 -3.38 115.31 119.72 2qp0 h LEU 81 Ca 0.00 -0.50 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 2qp0 h LEU 81 Cb 0.18 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 2qp0 h LEU 81 CO 0.00 1.43 0.18 0.40 -0.62 0.00 0.00 178.44 179.83 2qp0 h ILE 82 N 0.05 1.09 -0.99 4.05 2.04 -0.84 -3.18 117.51 119.73 2qp0 h ILE 82 Ca -0.29 -0.19 0.18 0.00 1.00 0.00 0.00 64.86 65.55 2qp0 h ILE 82 Cb 2.01 0.70 -0.17 0.00 -0.74 0.00 0.00 36.82 38.62 2qp0 h ILE 82 CO 0.12 0.09 -0.32 1.21 0.00 0.00 0.00 178.15 179.25 2qp0 n GLU 83 N -4.87 -0.16 0.00 2.37 2.13 -1.23 0.32 120.64 119.19 2qp0 n GLU 83 Ca -0.02 1.53 0.11 0.00 0.66 0.00 0.00 57.16 59.44 2qp0 n GLU 83 Cb 0.04 -2.28 0.55 0.00 0.27 0.00 0.00 31.44 30.02 2qp0 n GLU 83 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2qp0 n ARG 84 N -5.53 0.33 -0.00 5.31 1.74 -1.20 -2.92 116.66 114.38 2qp0 n ARG 84 Ca 0.13 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 2qp0 n ARG 84 Cb 0.45 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.38 2qp0 n ARG 84 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qp0 n LEU 85 N -1.27 0.01 -3.30 0.55 4.77 0.42 -5.07 117.00 113.11 2qp0 n LEU 85 Ca 0.11 -0.12 -0.21 0.00 -0.03 0.00 0.00 56.01 55.75 2qp0 n LEU 85 Cb 0.16 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 2qp0 n LEU 85 CO 0.16 0.00 -0.08 0.61 -1.33 0.00 0.00 177.39 176.76 2qp0 n GLY 86 N 2.10 -0.77 2.43 -0.72 0.00 0.94 -5.02 105.19 104.16 2qp0 n GLY 86 Ca -0.00 0.99 -0.15 0.00 0.00 0.00 0.00 46.02 46.86 2qp0 n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qp0 n LEU 87 N -0.92 0.00 0.00 0.99 4.77 -1.25 -4.89 117.00 115.70 2qp0 n LEU 87 Ca -0.06 -2.40 0.00 0.00 -0.03 0.00 0.00 56.01 53.52 2qp0 n LEU 87 Cb 0.59 1.26 0.00 0.00 -2.33 0.00 0.00 43.42 42.95 2qp0 n LEU 87 CO 0.55 -0.40 0.00 -1.14 -1.33 0.00 0.00 177.39 175.07 2qp0 n ARG 88 N -0.48 0.00 -0.50 3.23 3.00 -1.26 -4.97 116.66 115.68 2qp0 n ARG 88 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 2qp0 n ARG 88 Cb 0.46 -0.28 0.00 0.00 0.00 0.00 0.00 32.46 32.64 2qp0 n ARG 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17