#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbh s LEU 3 N 0.00 2.50 0.11 -3.43 2.96 -1.26 -4.99 118.68 114.58 2qbh s LEU 3 Ca 0.00 -1.04 -0.30 0.00 -0.22 0.00 0.00 54.13 52.57 2qbh s LEU 3 Cb 0.00 -0.45 -0.06 0.00 0.50 0.00 0.00 46.19 46.17 2qbh s LEU 3 CO 0.00 -0.30 1.15 -0.94 -1.32 0.00 0.00 176.35 174.94 2qbh s SER 4 N -3.24 7.17 0.27 3.68 1.04 -1.26 -4.92 113.70 116.43 2qbh s SER 4 Ca 0.20 2.04 -0.01 0.00 0.48 0.00 0.00 55.95 58.66 2qbh s SER 4 Cb 0.02 -2.59 0.60 0.00 0.10 0.00 0.00 66.02 64.15 2qbh s SER 4 CO 0.04 -0.36 1.68 0.71 0.98 0.00 0.00 173.24 176.29 2qbh h THR 5 N 4.17 0.45 0.28 2.02 1.35 -2.00 0.11 112.91 119.29 2qbh h THR 5 Ca -0.43 -0.10 -0.01 0.00 -0.55 0.00 0.00 66.41 65.32 2qbh h THR 5 Cb 1.21 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 2qbh h THR 5 CO 0.77 0.05 -0.22 -0.08 -0.25 0.00 0.00 175.52 175.79 2qbh h GLU 6 N 0.30 -0.47 -0.64 4.72 4.81 -2.00 -1.17 114.58 120.12 2qbh h GLU 6 Ca 0.49 0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.94 2qbh h GLU 6 Cb 0.91 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 2qbh h GLU 6 CO -0.55 -0.31 0.52 0.00 -0.73 0.00 0.00 179.01 177.93 2qbh h ALA 7 N -1.46 2.51 -1.50 2.92 0.00 -1.83 -0.96 119.26 118.95 2qbh h ALA 7 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qbh h ALA 7 Cb 0.41 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2qbh h ALA 7 CO 0.00 -0.85 0.00 2.41 0.00 0.00 0.00 179.25 180.81 2qbh n THR 8 N -4.08 0.00 -0.32 0.00 -1.04 0.33 -1.39 114.28 107.79 2qbh n THR 8 Ca 0.13 1.07 0.16 0.00 -2.04 0.00 0.00 64.05 63.36 2qbh n THR 8 Cb 0.77 -1.98 0.35 0.00 -1.82 0.00 0.00 70.33 67.65 2qbh n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qbh h ALA 9 N -2.00 1.56 0.11 2.41 0.00 -1.02 -0.05 119.26 120.27 2qbh h ALA 9 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qbh h ALA 9 Cb 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2qbh h ALA 9 CO 0.00 -0.41 -0.29 -0.22 0.00 0.00 0.00 179.25 178.33 2qbh h LYS 10 N 0.37 -0.43 -0.08 0.00 1.63 -1.20 -1.26 116.57 115.59 2qbh h LYS 10 Ca 0.61 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.43 2qbh h LYS 10 Cb 1.22 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.95 2qbh h LYS 10 CO -0.57 -0.29 0.03 0.97 -3.45 0.00 0.00 179.45 176.15 2qbh h ILE 11 N -0.45 1.04 -0.72 2.00 6.09 -0.33 -1.94 117.51 123.20 2qbh h ILE 11 Ca -0.01 -0.11 -0.02 0.00 -1.37 0.00 0.00 64.86 63.35 2qbh h ILE 11 Cb 0.43 0.94 -0.03 0.00 0.47 0.00 0.00 36.82 38.63 2qbh h ILE 11 CO -0.13 0.04 0.38 0.58 -3.07 0.00 0.00 178.15 175.95 2qbh h VAL 12 N 0.11 1.23 -0.15 2.19 2.07 -0.52 -2.65 116.25 118.53 2qbh h VAL 12 Ca 0.03 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 66.83 2qbh h VAL 12 Cb 0.03 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 2qbh h VAL 12 CO -0.00 0.26 -0.45 -1.28 0.02 0.00 0.00 177.57 176.11 2qbh h SER 13 N 1.00 0.39 -0.32 0.57 0.87 -0.47 0.92 113.55 116.51 2qbh h SER 13 Ca 0.25 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 2qbh h SER 13 Cb 0.07 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2qbh h SER 13 CO -0.04 0.79 0.02 -0.33 -0.53 0.00 0.00 176.83 176.74 2qbh h GLU 14 N 0.30 0.66 0.00 2.24 5.08 -1.12 -3.26 114.58 118.47 2qbh h GLU 14 Ca 0.02 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2qbh h GLU 14 Cb 0.91 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2qbh h GLU 14 CO 0.08 0.66 -0.30 1.19 -1.00 0.00 0.00 179.01 179.63 2qbh n PHE 15 N -4.26 0.00 -1.69 4.33 3.01 -1.11 -5.02 117.46 112.72 2qbh n PHE 15 Ca 0.02 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.04 2qbh n PHE 15 Cb 0.26 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.68 2qbh n PHE 15 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qbh n GLY 16 N 1.19 1.32 0.31 1.37 0.00 0.32 -4.41 105.19 105.28 2qbh n GLY 16 Ca 0.01 0.65 0.15 0.00 0.00 0.00 0.00 46.02 46.83 2qbh n GLY 16 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qbh h ARG 17 N 6.47 0.00 0.00 1.61 2.47 -1.85 -3.44 114.38 119.64 2qbh h ARG 17 Ca -0.44 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 2qbh h ARG 17 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 2qbh h ARG 17 CO 0.92 0.00 0.00 -0.40 0.56 0.00 0.00 179.97 181.05 2qbh n ASP 18 N -2.80 1.76 -4.46 7.04 5.68 -1.26 -5.12 116.55 117.39 2qbh n ASP 18 Ca -0.02 0.00 -0.43 0.00 -0.50 0.00 0.00 54.79 53.84 2qbh n ASP 18 Cb 0.32 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.22 2qbh n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qbh s ALA 19 N -1.08 3.45 -0.23 2.12 0.00 -1.26 -4.68 121.76 120.08 2qbh s ALA 19 Ca 0.00 -1.68 -0.02 0.00 0.00 0.00 0.00 51.96 50.26 2qbh s ALA 19 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2qbh s ALA 19 CO 0.00 -1.63 0.09 -1.71 0.00 0.00 0.00 175.76 172.50 2qbh n ASN 20 N 5.52 -6.19 -2.75 0.00 5.15 -1.26 -5.05 115.26 110.68 2qbh n ASN 20 Ca -0.09 0.87 -0.09 0.00 -0.60 0.00 0.00 54.58 54.68 2qbh n ASN 20 Cb 0.46 -4.03 0.06 0.00 -0.53 0.00 0.00 39.78 35.75 2qbh n ASN 20 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2qbh n ASP 21 N 0.32 -2.62 -0.72 1.20 5.75 -1.26 -5.00 116.55 114.21 2qbh n ASP 21 Ca 0.02 -3.46 0.00 0.00 -0.01 0.00 0.00 54.79 51.34 2qbh n ASP 21 Cb 0.07 1.83 0.00 0.00 -1.03 0.00 0.00 41.12 41.98 2qbh n ASP 21 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2qbh n THR 22 N 1.13 0.05 -0.07 2.12 -2.24 -1.26 -2.26 114.28 111.75 2qbh n THR 22 Ca 0.08 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.79 2qbh n THR 22 Cb 0.66 -0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.51 2qbh n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbh n GLY 23 N 0.67 -0.57 3.52 3.38 0.00 -1.26 -4.77 105.19 106.17 2qbh n GLY 23 Ca 0.00 -0.20 -0.53 0.00 0.00 0.00 0.00 46.02 45.29 2qbh n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qbh n SER 24 N -2.58 0.50 -0.25 1.61 2.88 -0.96 -4.76 113.62 110.07 2qbh n SER 24 Ca -0.23 1.14 0.05 0.00 -1.33 0.00 0.00 58.87 58.50 2qbh n SER 24 Cb 0.91 -1.06 0.18 0.00 -0.75 0.00 0.00 64.21 63.49 2qbh n SER 24 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2qbh h THR 25 N 2.70 0.63 -0.53 2.46 2.02 -1.95 0.30 112.91 118.53 2qbh h THR 25 Ca -0.45 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 66.64 2qbh h THR 25 Cb 1.39 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 2qbh h THR 25 CO 0.68 0.07 0.28 -0.33 0.37 0.00 0.00 175.52 176.59 2qbh h GLU 26 N 0.38 0.53 -0.35 6.66 3.07 -1.88 -2.28 114.58 120.72 2qbh h GLU 26 Ca 0.40 -0.03 0.07 0.00 -0.50 0.00 0.00 59.36 59.30 2qbh h GLU 26 Cb 0.62 -0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 28.35 2qbh h GLU 26 CO -0.42 0.35 -0.10 0.28 -1.40 0.00 0.00 179.01 177.72 2qbh h VAL 27 N 0.55 0.62 0.27 3.13 2.07 -1.17 -2.12 116.25 119.59 2qbh h VAL 27 Ca 0.23 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 2qbh h VAL 27 Cb 0.12 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2qbh h VAL 27 CO -0.15 0.00 -0.23 1.56 0.02 0.00 0.00 177.57 178.77 2qbh h GLN 28 N -0.02 -0.47 -0.89 1.57 4.20 -0.91 -0.58 115.11 118.01 2qbh h GLN 28 Ca 0.17 0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.01 2qbh h GLN 28 Cb 0.28 0.11 -0.12 0.00 0.30 0.00 0.00 27.48 28.05 2qbh h GLN 28 CO -0.37 -0.32 -0.47 0.28 -0.67 0.00 0.00 178.83 177.29 2qbh n VAL 29 N -3.75 -0.56 0.16 -0.54 0.31 -0.90 -0.78 118.33 112.26 2qbh n VAL 29 Ca -0.06 2.13 -0.14 0.00 -0.01 0.00 0.00 64.34 66.26 2qbh n VAL 29 Cb 0.22 -2.69 -0.08 0.00 -0.91 0.00 0.00 33.84 30.38 2qbh n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbh h ALA 30 N 0.70 -0.98 -0.87 3.52 0.00 -1.27 -0.54 119.26 119.81 2qbh h ALA 30 Ca 0.20 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.10 2qbh h ALA 30 Cb 0.42 0.72 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 2qbh h ALA 30 CO -0.85 -1.05 -0.47 -0.07 0.00 0.00 0.00 179.25 176.81 2qbh h LEU 31 N -0.69 -1.69 0.42 0.00 3.38 0.61 -1.43 115.31 115.91 2qbh h LEU 31 Ca -0.03 0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2qbh h LEU 31 Cb 0.64 0.80 -0.03 0.00 0.09 0.00 0.00 40.66 42.16 2qbh h LEU 31 CO -0.14 -0.29 -0.51 -0.07 0.09 0.00 0.00 178.44 177.53 2qbh h LEU 32 N -0.07 -1.43 -1.04 1.67 -0.00 -0.71 -2.18 115.31 111.55 2qbh h LEU 32 Ca 0.24 0.12 0.40 0.00 -0.00 0.00 0.00 57.88 58.64 2qbh h LEU 32 Cb 0.53 0.48 -0.17 0.00 -0.00 0.00 0.00 40.66 41.50 2qbh h LEU 32 CO -0.88 -0.64 0.58 0.74 -0.00 0.00 0.00 178.44 178.23 2qbh h THR 33 N -0.95 0.07 0.00 0.22 2.02 -0.09 0.80 112.91 114.98 2qbh h THR 33 Ca -0.05 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2qbh h THR 33 Cb 0.85 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2qbh h THR 33 CO -0.11 0.01 0.00 0.00 0.37 0.00 0.00 175.52 175.79 2qbh n ALA 34 N -2.29 -0.30 -0.34 6.16 0.00 -0.70 -0.05 120.51 122.98 2qbh n ALA 34 Ca 0.37 0.00 0.32 0.00 0.00 0.00 0.00 53.44 54.13 2qbh n ALA 34 Cb 1.25 0.08 0.67 0.00 0.00 0.00 0.00 19.45 21.45 2qbh n ALA 34 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2qbh h GLN 35 N 0.00 0.12 0.00 0.00 4.20 -1.18 0.47 115.11 118.72 2qbh h GLN 35 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2qbh h GLN 35 Cb 0.00 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2qbh h GLN 35 CO 0.00 0.08 0.00 -0.89 -0.67 0.00 0.00 178.83 177.35 2qbh n ILE 36 N -4.34 0.00 -0.24 2.54 2.08 0.17 -0.97 119.36 118.59 2qbh n ILE 36 Ca 0.27 1.05 0.04 0.00 0.56 0.00 0.00 62.75 64.67 2qbh n ILE 36 Cb 1.17 -1.96 0.16 0.00 -0.75 0.00 0.00 39.64 38.25 2qbh n ILE 36 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 2qbh h ASN 37 N 0.00 -0.15 -0.19 4.38 -0.26 -0.01 -1.44 115.58 117.91 2qbh h ASN 37 Ca 0.00 0.16 -0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2qbh h ASN 37 Cb 0.00 0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 2qbh h ASN 37 CO 0.00 -0.10 0.10 -0.74 -1.06 0.00 0.00 177.43 175.64 2qbh h HIS 38 N 0.18 0.25 -0.86 1.19 2.76 -1.02 -2.82 115.15 114.83 2qbh h HIS 38 Ca 0.39 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.69 2qbh h HIS 38 Cb 0.67 -0.08 -0.07 0.00 1.55 0.00 0.00 27.41 29.48 2qbh h HIS 38 CO -0.33 0.24 0.56 1.25 -1.30 0.00 0.00 177.93 178.35 2qbh h LEU 39 N 0.20 0.62 -0.94 0.26 5.85 0.01 -0.59 115.31 120.72 2qbh h LEU 39 Ca 0.07 0.03 0.24 0.00 0.84 0.00 0.00 57.88 59.06 2qbh h LEU 39 Cb 0.07 -0.09 -0.13 0.00 0.37 0.00 0.00 40.66 40.88 2qbh h LEU 39 CO -0.01 0.32 0.46 1.56 -0.34 0.00 0.00 178.44 180.43 2qbh h GLN 40 N 0.66 0.42 -0.96 1.25 4.20 -1.16 0.68 115.11 120.20 2qbh h GLN 40 Ca 0.43 -0.03 0.17 0.00 0.06 0.00 0.00 58.65 59.28 2qbh h GLN 40 Cb 0.71 -0.10 -0.10 0.00 0.30 0.00 0.00 27.48 28.29 2qbh h GLN 40 CO -0.19 0.28 0.56 0.78 -0.67 0.00 0.00 178.83 179.59 2qbh h GLY 41 N 0.44 1.65 0.53 3.46 0.00 -1.21 0.78 103.07 108.71 2qbh h GLY 41 Ca 0.60 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.54 2qbh h GLY 41 CO -0.53 -0.04 -0.20 0.84 0.00 0.00 0.00 176.54 176.62 2qbh h HIS 42 N 0.74 0.27 -0.45 5.60 -0.00 0.16 -3.28 115.15 118.19 2qbh h HIS 42 Ca 0.53 -0.12 -0.03 0.00 -0.00 0.00 0.00 60.37 60.76 2qbh h HIS 42 Cb 0.78 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 28.13 2qbh h HIS 42 CO -0.03 0.85 0.17 0.74 -0.00 0.00 0.00 177.93 179.65 2qbh h PHE 43 N -0.39 0.64 -0.83 5.26 -1.00 -0.03 0.31 116.94 120.90 2qbh h PHE 43 Ca -0.02 -0.03 0.21 0.00 2.81 0.00 0.00 57.97 60.94 2qbh h PHE 43 Cb 0.88 -0.20 -0.05 0.00 3.61 0.00 0.00 35.95 40.19 2qbh h PHE 43 CO 0.15 0.51 0.57 0.00 -1.61 0.00 0.00 178.31 177.93 2qbh h ALA 44 N 1.55 2.43 -2.19 2.45 0.00 0.48 -2.87 119.26 121.10 2qbh h ALA 44 Ca 0.15 -0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.60 2qbh h ALA 44 Cb 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2qbh h ALA 44 CO -0.01 -0.68 -0.36 -2.00 0.00 0.00 0.00 179.25 176.20 2qbh s GLU 45 N -5.24 3.44 0.00 0.00 2.12 0.10 -4.50 118.70 114.62 2qbh s GLU 45 Ca -0.07 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.61 2qbh s GLU 45 Cb 0.22 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.78 2qbh s GLU 45 CO 0.77 0.34 0.00 0.72 -0.54 0.00 0.00 175.26 176.55 2qbh n HIS 46 N -1.52 0.00 0.00 5.30 8.25 -1.26 -4.76 115.22 121.23 2qbh n HIS 46 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2qbh n HIS 46 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 2qbh n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qbh n LYS 47 N 0.00 0.00 0.00 -0.41 5.02 -1.08 -4.29 118.16 117.40 2qbh n LYS 47 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2qbh n LYS 47 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2qbh n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qbh n LYS 48 N 0.00 0.55 -0.87 1.97 5.02 -1.26 -4.15 118.16 119.43 2qbh n LYS 48 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 2qbh n LYS 48 Cb 0.00 -1.18 -0.09 0.00 -0.02 0.00 0.00 35.03 33.73 2qbh n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qbh n ASP 49 N -0.02 5.43 -0.35 4.39 2.03 -1.26 -4.69 116.55 122.08 2qbh n ASP 49 Ca 0.00 -2.54 -0.09 0.00 0.52 0.00 0.00 54.79 52.68 2qbh n ASP 49 Cb 0.09 -1.29 -0.08 0.00 -0.72 0.00 0.00 41.12 39.12 2qbh n ASP 49 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2qbh n HIS 50 N 1.93 -0.37 -0.32 -0.67 8.25 -1.26 -0.60 115.22 122.18 2qbh n HIS 50 Ca 0.28 1.04 0.13 0.00 -0.26 0.00 0.00 57.72 58.92 2qbh n HIS 50 Cb 0.73 -0.57 0.27 0.00 1.12 0.00 0.00 29.99 31.55 2qbh n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2qbh h HIS 51 N 0.00 0.03 -0.07 4.41 3.86 -1.97 1.09 115.15 122.49 2qbh h HIS 51 Ca 0.13 0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 59.27 2qbh h HIS 51 Cb 0.34 0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 2qbh h HIS 51 CO -0.87 -0.37 -0.59 0.77 0.86 0.00 0.00 177.93 177.73 2qbh h SER 52 N 0.05 0.26 -0.03 2.45 0.02 -1.25 -3.14 113.55 111.92 2qbh h SER 52 Ca 0.57 -0.15 0.03 0.00 -0.84 0.00 0.00 61.79 61.40 2qbh h SER 52 Cb 1.15 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 2qbh h SER 52 CO -0.84 0.79 -0.21 -0.09 -1.14 0.00 0.00 176.83 175.34 2qbh h ARG 53 N 0.18 -0.31 -1.00 3.45 9.65 0.23 -0.48 114.38 126.09 2qbh h ARG 53 Ca -0.00 0.02 0.30 0.00 -1.10 0.00 0.00 59.98 59.19 2qbh h ARG 53 Cb 1.08 0.07 -0.14 0.00 -1.39 0.00 0.00 29.97 29.59 2qbh h ARG 53 CO 0.09 -0.21 0.57 -0.09 2.80 0.00 0.00 179.97 183.13 2qbh h ARG 54 N -0.33 0.39 0.15 0.20 1.12 -1.14 0.22 114.38 115.01 2qbh h ARG 54 Ca 0.07 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.91 2qbh h ARG 54 Cb 0.42 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.29 2qbh h ARG 54 CO -0.22 0.26 -0.07 0.78 -3.11 0.00 0.00 179.97 177.61 2qbh h GLY 55 N 0.41 -0.21 -0.34 2.80 0.00 -1.18 -2.78 103.07 101.76 2qbh h GLY 55 Ca 0.70 0.08 0.07 0.00 0.00 0.00 0.00 47.33 48.18 2qbh h GLY 55 CO -0.56 -0.08 -0.46 -2.00 0.00 0.00 0.00 176.54 173.44 2qbh h LEU 56 N -0.51 -1.53 -0.62 3.11 5.85 0.51 -1.32 115.31 120.80 2qbh h LEU 56 Ca -0.02 0.23 0.12 0.00 0.84 0.00 0.00 57.88 59.05 2qbh h LEU 56 Cb 0.40 0.66 -0.10 0.00 0.37 0.00 0.00 40.66 41.99 2qbh h LEU 56 CO 0.03 -0.37 0.08 -0.07 -0.34 0.00 0.00 178.44 177.77 2qbh h LEU 57 N -0.33 -0.11 -0.90 2.25 4.07 -1.24 -0.23 115.31 118.81 2qbh h LEU 57 Ca 0.13 0.13 0.19 0.00 0.08 0.00 0.00 57.88 58.41 2qbh h LEU 57 Cb 0.59 0.20 -0.11 0.00 1.08 0.00 0.00 40.66 42.42 2qbh h LEU 57 CO -0.59 -0.05 0.45 -0.09 -1.08 0.00 0.00 178.44 177.08 2qbh h ARG 58 N 0.20 0.52 -0.66 1.13 2.43 -0.95 0.43 114.38 117.48 2qbh h ARG 58 Ca 0.33 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.38 2qbh h ARG 58 Cb 0.51 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 2qbh h ARG 58 CO -0.46 0.34 0.08 0.52 -1.51 0.00 0.00 179.97 178.94 2qbh h MET 59 N 0.53 1.10 0.42 0.20 0.00 -0.77 -1.21 114.93 115.20 2qbh h MET 59 Ca 0.54 -0.31 -0.02 0.00 0.00 0.00 0.00 59.70 59.91 2qbh h MET 59 Cb 0.92 -0.12 0.00 0.00 0.00 0.00 0.00 31.60 32.40 2qbh h MET 59 CO -0.45 1.02 -0.20 0.28 0.00 0.00 0.00 176.91 177.56 2qbh h VAL 60 N 1.02 0.00 -0.73 -2.22 2.07 0.41 0.18 116.25 116.98 2qbh h VAL 60 Ca 0.20 -0.02 0.16 0.00 0.82 0.00 0.00 66.70 67.86 2qbh h VAL 60 Cb 0.47 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.12 2qbh h VAL 60 CO 0.02 0.00 0.07 0.77 0.02 0.00 0.00 177.57 178.45 2qbh h SER 61 N -0.59 -0.20 -0.48 0.57 4.64 -0.82 0.12 113.55 116.79 2qbh h SER 61 Ca -0.06 0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2qbh h SER 61 Cb 0.44 0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 2qbh h SER 61 CO 0.10 -0.12 0.29 -0.61 -0.87 0.00 0.00 176.83 175.61 2qbh h GLN 62 N 0.16 0.66 -0.49 4.77 4.15 -1.16 -1.52 115.11 121.67 2qbh h GLN 62 Ca 0.40 -0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.84 2qbh h GLN 62 Cb 0.70 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.19 2qbh h GLN 62 CO -0.59 0.49 0.13 -0.09 -1.93 0.00 0.00 178.83 176.84 2qbh h ARG 63 N 0.65 0.27 0.38 1.69 2.43 0.18 -0.75 114.38 119.23 2qbh h ARG 63 Ca 0.17 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2qbh h ARG 63 Cb 0.00 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2qbh h ARG 63 CO -0.03 0.18 -0.30 -0.09 -1.51 0.00 0.00 179.97 178.22 2qbh h ARG 64 N 0.28 -0.63 -1.29 0.20 9.65 -0.62 -1.28 114.38 120.68 2qbh h ARG 64 Ca 0.24 0.04 0.38 0.00 -1.10 0.00 0.00 59.98 59.55 2qbh h ARG 64 Cb 0.30 0.14 -0.09 0.00 -1.39 0.00 0.00 29.97 28.93 2qbh h ARG 64 CO -0.29 -0.42 0.87 0.87 2.80 0.00 0.00 179.97 183.80 2qbh h LYS 65 N -0.65 0.14 0.65 0.20 1.57 -1.01 0.13 116.57 117.59 2qbh h LYS 65 Ca -0.05 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2qbh h LYS 65 Cb 0.55 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.83 2qbh h LYS 65 CO 0.01 0.09 -0.31 -0.07 -0.57 0.00 0.00 179.45 178.60 2qbh h LEU 66 N 0.14 -0.74 -0.39 2.94 -0.00 -0.41 -2.03 115.31 114.82 2qbh h LEU 66 Ca 0.70 0.03 0.08 0.00 -0.00 0.00 0.00 57.88 58.69 2qbh h LEU 66 Cb 2.34 0.19 -0.09 0.00 -0.00 0.00 0.00 40.66 43.10 2qbh h LEU 66 CO -0.23 -0.43 -0.26 -0.07 -0.00 0.00 0.00 178.44 177.45 2qbh h LEU 67 N -1.07 -0.87 -0.67 1.67 3.38 0.25 -0.38 115.31 117.62 2qbh h LEU 67 Ca -0.09 0.17 0.13 0.00 0.09 0.00 0.00 57.88 58.18 2qbh h LEU 67 Cb 0.67 0.43 -0.13 0.00 0.09 0.00 0.00 40.66 41.73 2qbh h LEU 67 CO 0.15 -0.28 -0.26 0.44 0.09 0.00 0.00 178.44 178.58 2qbh h ASP 68 N -0.20 -0.91 -0.64 -0.43 5.19 -0.89 0.27 116.42 118.82 2qbh h ASP 68 Ca 0.18 0.22 0.08 0.00 -0.62 0.00 0.00 57.03 56.90 2qbh h ASP 68 Cb 0.49 0.51 -0.06 0.00 0.18 0.00 0.00 39.33 40.45 2qbh h ASP 68 CO -0.50 -0.27 0.30 0.22 -3.12 0.00 0.00 179.24 175.87 2qbh h TYR 69 N -0.08 0.54 0.05 4.55 3.20 -0.35 -1.32 116.97 123.57 2qbh h TYR 69 Ca 0.29 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.20 2qbh h TYR 69 Cb 0.54 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2qbh h TYR 69 CO -0.61 0.21 -0.23 1.25 -1.64 0.00 0.00 178.16 177.13 2qbh h LEU 70 N 0.54 -0.70 -0.50 2.82 7.12 0.82 -1.07 115.31 124.34 2qbh h LEU 70 Ca 0.31 0.07 0.10 0.00 0.13 0.00 0.00 57.88 58.49 2qbh h LEU 70 Cb 0.30 0.26 -0.09 0.00 -0.53 0.00 0.00 40.66 40.60 2qbh h LEU 70 CO -0.25 -0.25 -0.06 0.50 -0.13 0.00 0.00 178.44 178.26 2qbh h LYS 71 N -0.33 0.05 -0.20 1.25 3.11 -1.20 0.83 116.57 120.08 2qbh h LYS 71 Ca -0.00 -0.00 0.06 0.00 -2.81 0.00 0.00 60.65 57.89 2qbh h LYS 71 Cb 0.33 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 2qbh h LYS 71 CO -0.13 0.04 0.30 0.00 -2.81 0.00 0.00 179.45 176.85 2qbh h ARG 72 N 0.06 0.00 -0.00 1.90 3.08 -0.86 -1.92 114.38 116.63 2qbh h ARG 72 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2qbh h ARG 72 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2qbh h ARG 72 CO -0.46 0.00 -0.02 1.63 -1.07 0.00 0.00 179.97 180.05 2qbh n LYS 73 N -3.50 0.19 0.00 0.04 4.76 0.35 -4.92 118.16 115.09 2qbh n LYS 73 Ca 0.02 -0.62 0.00 0.00 -2.87 0.00 0.00 58.31 54.84 2qbh n LYS 73 Cb 0.41 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 2qbh n LYS 73 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2qbh n ASP 74 N 0.05 0.00 -0.25 4.39 -0.08 0.26 -5.02 116.55 115.90 2qbh n ASP 74 Ca 0.02 0.00 0.29 0.00 -1.51 0.00 0.00 54.79 53.59 2qbh n ASP 74 Cb 0.08 0.00 0.69 0.00 2.34 0.00 0.00 41.12 44.22 2qbh n ASP 74 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2qbh h VAL 75 N 0.00 0.52 0.00 5.18 2.07 -1.63 -3.01 116.25 119.38 2qbh h VAL 75 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2qbh h VAL 75 Cb 0.00 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2qbh h VAL 75 CO 0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 2qbh n ALA 76 N -2.68 -0.05 -0.40 1.67 0.00 -1.26 -1.41 120.51 116.38 2qbh n ALA 76 Ca 0.22 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.97 2qbh n ALA 76 Cb 1.01 0.09 0.60 0.00 0.00 0.00 0.00 19.45 21.15 2qbh n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbh h ARG 77 N 0.00 0.19 0.44 0.00 3.08 -1.92 -1.74 114.38 114.43 2qbh h ARG 77 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2qbh h ARG 77 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2qbh h ARG 77 CO 0.00 0.13 -0.23 -0.92 -1.07 0.00 0.00 179.97 177.88 2qbh h TYR 78 N 0.20 -0.60 -0.48 3.04 3.20 -1.39 0.19 116.97 121.12 2qbh h TYR 78 Ca 0.73 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.69 2qbh h TYR 78 Cb 2.17 0.21 -0.09 0.00 1.54 0.00 0.00 36.73 40.55 2qbh h TYR 78 CO -0.00 -0.36 -0.15 1.79 -1.64 0.00 0.00 178.16 177.80 2qbh h THR 79 N -0.61 0.47 -0.75 1.81 1.35 -0.36 -1.32 112.91 113.49 2qbh h THR 79 Ca -0.06 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.75 2qbh h THR 79 Cb 0.48 0.47 -0.03 0.00 -1.73 0.00 0.00 68.15 67.33 2qbh h THR 79 CO 0.09 0.00 0.26 1.56 -0.25 0.00 0.00 175.52 177.17 2qbh h GLN 80 N -0.03 1.16 -0.55 4.72 4.20 -1.46 -3.01 115.11 120.13 2qbh h GLN 80 Ca 0.23 -0.24 0.07 0.00 0.06 0.00 0.00 58.65 58.77 2qbh h GLN 80 Cb 0.39 -0.17 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 2qbh h GLN 80 CO -0.51 0.97 0.24 1.25 -0.67 0.00 0.00 178.83 180.10 2qbh h LEU 81 N 1.11 0.29 -1.13 1.46 6.46 0.48 -1.80 115.31 122.18 2qbh h LEU 81 Ca 0.25 0.05 0.17 0.00 -0.12 0.00 0.00 57.88 58.23 2qbh h LEU 81 Cb 0.28 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 40.13 2qbh h LEU 81 CO -0.01 0.19 0.61 0.40 -0.62 0.00 0.00 178.44 179.01 2qbh h ILE 82 N 0.45 0.78 0.30 4.05 2.04 -1.23 -2.89 117.51 121.00 2qbh h ILE 82 Ca 0.26 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2qbh h ILE 82 Cb 0.25 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 2qbh h ILE 82 CO -0.23 0.14 -0.46 -0.08 0.00 0.00 0.00 178.15 177.52 2qbh h GLU 83 N 0.76 -0.77 0.00 2.37 4.57 -1.37 1.70 114.58 121.85 2qbh h GLU 83 Ca 0.52 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.75 2qbh h GLU 83 Cb 0.81 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 2qbh h GLU 83 CO -0.29 -0.51 0.00 0.54 -1.18 0.00 0.00 179.01 177.57 2qbh n ARG 84 N -5.13 0.12 -0.01 1.92 1.74 -1.10 -1.37 116.66 112.83 2qbh n ARG 84 Ca -0.09 0.56 0.01 0.00 -0.77 0.00 0.00 57.85 57.57 2qbh n ARG 84 Cb 0.39 -1.84 0.02 0.00 -1.02 0.00 0.00 32.46 30.00 2qbh n ARG 84 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qbh n LEU 85 N -2.09 1.50 -4.14 0.55 4.32 -0.75 -5.01 117.00 111.39 2qbh n LEU 85 Ca -0.00 -1.25 -0.33 0.00 -0.02 0.00 0.00 56.01 54.40 2qbh n LEU 85 Cb 0.06 -0.02 -0.08 0.00 -1.62 0.00 0.00 43.42 41.77 2qbh n LEU 85 CO 0.10 0.35 -0.27 0.61 -1.22 0.00 0.00 177.39 176.96 2qbh n GLY 86 N 0.06 -0.24 0.00 -0.72 0.00 0.57 -4.91 105.19 99.96 2qbh n GLY 86 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2qbh n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbh n LEU 87 N -3.86 0.00 -3.57 0.99 4.77 -0.98 -4.59 117.00 109.76 2qbh n LEU 87 Ca -0.08 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.63 2qbh n LEU 87 Cb 0.49 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 2qbh n LEU 87 CO 0.80 -0.39 -0.15 -1.14 -1.33 0.00 0.00 177.39 175.18 2qbh n ARG 88 N -0.79 -0.84 -0.43 3.23 3.00 -1.26 -4.92 116.66 114.65 2qbh n ARG 88 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 2qbh n ARG 88 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 32.46 29.46 2qbh n ARG 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17