#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqm h LYS 2 N 0.00 -0.12 -0.62 -0.78 1.57 -2.05 -1.04 116.57 113.53 1gqm h LYS 2 Ca 0.00 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 1gqm h LYS 2 Cb 0.00 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.25 1gqm h LYS 2 CO 0.00 0.30 0.14 1.25 -0.57 0.00 0.00 179.45 180.57 1gqm h LEU 3 N -0.58 0.02 -1.18 2.94 6.46 -2.05 0.22 115.31 121.14 1gqm h LEU 3 Ca -0.01 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 1gqm h LEU 3 Cb 0.47 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 1gqm h LEU 3 CO 0.02 0.02 0.30 -0.33 -0.62 0.00 0.00 178.44 177.83 1gqm h GLU 4 N 0.27 0.87 -0.27 1.25 5.08 -1.98 -1.59 114.58 118.22 1gqm h GLU 4 Ca 0.33 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1gqm h GLU 4 Cb 0.49 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1gqm h GLU 4 CO -0.41 0.67 0.08 0.93 -1.00 0.00 0.00 179.01 179.29 1gqm h GLU 5 N 0.87 0.42 -0.79 2.33 5.08 0.73 -0.60 114.58 122.61 1gqm h GLU 5 Ca 0.22 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1gqm h GLU 5 Cb 0.08 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1gqm h GLU 5 CO -0.03 0.49 0.51 0.45 -1.00 0.00 0.00 179.01 179.43 1gqm h HIS 6 N 0.27 0.97 0.20 4.33 3.86 -0.42 0.54 115.15 124.89 1gqm h HIS 6 Ca 0.09 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1gqm h HIS 6 Cb 0.24 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1gqm h HIS 6 CO 0.01 0.57 -0.10 -0.07 0.86 0.00 0.00 177.93 179.20 1gqm h LEU 7 N 1.02 -0.23 -1.70 2.43 3.38 -1.08 -0.93 115.31 118.20 1gqm h LEU 7 Ca 0.31 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1gqm h LEU 7 Cb -0.04 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1gqm h LEU 7 CO -0.09 -0.11 0.04 -0.08 0.09 0.00 0.00 178.44 178.29 1gqm h GLU 8 N -0.33 0.23 -0.07 1.13 4.81 -0.54 -0.55 114.58 119.26 1gqm h GLU 8 Ca -0.03 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1gqm h GLU 8 Cb 0.25 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 1gqm h GLU 8 CO 0.04 0.22 -0.23 0.78 -0.73 0.00 0.00 179.01 179.09 1gqm h GLY 9 N 0.40 -0.29 1.01 1.92 0.00 0.88 0.30 103.07 107.28 1gqm h GLY 9 Ca 0.06 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1gqm h GLY 9 CO -0.00 -0.20 0.51 -2.22 0.00 0.00 0.00 176.54 174.63 1gqm h ILE 10 N -0.33 1.21 -0.22 2.60 2.04 0.16 0.02 117.51 123.00 1gqm h ILE 10 Ca 0.08 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1gqm h ILE 10 Cb 0.45 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1gqm h ILE 10 CO -0.26 0.20 0.13 0.58 0.00 0.00 0.00 178.15 178.80 1gqm h VAL 11 N 1.07 1.08 -0.50 1.67 2.07 -0.63 -1.51 116.25 119.50 1gqm h VAL 11 Ca 0.29 -0.19 0.10 0.00 0.82 0.00 0.00 66.70 67.72 1gqm h VAL 11 Cb -0.10 0.82 -0.10 0.00 -1.52 0.00 0.00 31.29 30.39 1gqm h VAL 11 CO -0.06 0.08 -0.16 0.78 0.02 0.00 0.00 177.57 178.23 1gqm h ASN 12 N 0.27 -0.57 -0.96 0.57 4.21 0.51 -0.64 115.58 118.96 1gqm h ASN 12 Ca 0.08 0.16 0.02 0.00 1.21 0.00 0.00 56.30 57.77 1gqm h ASN 12 Cb 0.01 0.35 -0.05 0.00 -1.12 0.00 0.00 38.32 37.51 1gqm h ASN 12 CO -0.01 -0.20 0.63 0.40 -1.29 0.00 0.00 177.43 176.96 1gqm h ILE 13 N -0.04 1.21 -0.25 2.81 2.04 -0.48 0.30 117.51 123.10 1gqm h ILE 13 Ca 0.24 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.73 1gqm h ILE 13 Cb 0.41 -0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 36.25 1gqm h ILE 13 CO -0.54 0.23 -0.28 0.15 0.00 0.00 0.00 178.15 177.71 1gqm h PHE 14 N 1.27 -0.76 -0.09 1.37 3.57 -0.17 -1.89 116.94 120.24 1gqm h PHE 14 Ca 0.37 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.83 1gqm h PHE 14 Cb -0.09 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1gqm h PHE 14 CO -0.01 -0.35 -0.30 0.45 -2.23 0.00 0.00 178.31 175.87 1gqm h HIS 15 N -0.29 0.18 -0.12 0.41 3.86 0.70 -0.41 115.15 119.48 1gqm h HIS 15 Ca 0.14 -0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.35 1gqm h HIS 15 Cb 0.50 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 1gqm h HIS 15 CO -0.43 0.45 0.09 0.37 0.86 0.00 0.00 177.93 179.26 1gqm h GLN 16 N 0.14 0.00 0.00 2.45 4.15 0.22 -1.94 115.11 120.13 1gqm h GLN 16 Ca 0.02 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.38 1gqm h GLN 16 Cb 0.60 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1gqm h GLN 16 CO 0.04 0.00 -2.04 0.66 -1.93 0.00 0.00 178.83 175.56 1gqm n TYR 17 N -4.46 0.00 0.14 3.99 4.01 -0.40 -4.45 117.16 115.99 1gqm n TYR 17 Ca -0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.76 1gqm n TYR 17 Cb 0.21 -0.57 0.10 0.00 -0.31 0.00 0.00 39.34 38.78 1gqm n TYR 17 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1gqm h SER 18 N 0.00 0.00 0.65 7.72 4.64 -0.36 -3.22 113.55 122.97 1gqm h SER 18 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1gqm h SER 18 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1gqm h SER 18 CO 0.00 0.53 0.00 1.33 -0.87 0.00 0.00 176.83 177.82 1gqm n VAL 19 N -3.34 0.18 -0.19 0.95 0.24 -0.97 -4.15 118.33 111.05 1gqm n VAL 19 Ca 0.01 0.04 -0.09 0.00 -2.04 0.00 0.00 64.34 62.26 1gqm n VAL 19 Cb 0.69 -0.60 0.01 0.00 -1.47 0.00 0.00 33.84 32.47 1gqm n VAL 19 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gqm h ARG 20 N 0.00 0.96 -3.71 7.34 3.08 -1.80 -3.46 114.38 116.79 1gqm h ARG 20 Ca 0.00 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.67 1gqm h ARG 20 Cb 0.32 -0.09 -0.14 0.00 0.08 0.00 0.00 29.97 30.14 1gqm h ARG 20 CO 0.00 0.96 -0.31 -1.59 -1.07 0.00 0.00 179.97 177.96 1gqm s LYS 21 N -5.04 0.88 3.94 0.04 -2.85 -1.26 -5.11 119.74 110.34 1gqm s LYS 21 Ca -0.12 -0.89 0.00 0.00 -1.00 0.00 0.00 55.97 53.96 1gqm s LYS 21 Cb 0.12 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 1gqm s LYS 21 CO 0.84 -0.29 0.00 0.41 0.10 0.00 0.00 175.35 176.40 1gqm n GLY 22 N -0.05 0.93 3.71 0.59 0.00 -1.26 -4.68 105.19 104.43 1gqm n GLY 22 Ca -0.15 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 1gqm n GLY 22 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1gqm n HIS 23 N 0.38 2.15 0.13 1.61 8.25 -1.26 -4.84 115.22 121.63 1gqm n HIS 23 Ca 0.00 0.48 -0.01 0.00 -0.26 0.00 0.00 57.72 57.93 1gqm n HIS 23 Cb 0.00 -2.37 0.11 0.00 1.12 0.00 0.00 29.99 28.85 1gqm n HIS 23 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1gqm h PHE 24 N 1.97 0.00 -0.01 4.41 0.04 -1.83 -3.25 116.94 118.27 1gqm h PHE 24 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1gqm h PHE 24 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1gqm h PHE 24 CO 0.47 0.66 -0.10 -0.40 -0.60 0.00 0.00 178.31 178.35 1gqm n ASP 25 N -3.58 0.79 -4.16 2.17 3.85 -1.26 -3.54 116.55 110.82 1gqm n ASP 25 Ca -0.00 -0.93 -0.10 0.00 -0.71 0.00 0.00 54.79 53.05 1gqm n ASP 25 Cb 0.69 -0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 40.36 1gqm n ASP 25 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1gqm s THR 26 N -2.30 0.10 -0.19 2.12 -4.23 -1.23 -4.45 115.64 105.46 1gqm s THR 26 Ca 0.32 -1.93 -0.05 0.00 -1.18 0.00 0.00 61.69 58.86 1gqm s THR 26 Cb 0.20 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.87 1gqm s THR 26 CO 0.44 -0.36 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.38 1gqm s LEU 27 N -3.08 3.25 0.76 4.79 1.43 -0.42 -4.54 118.68 120.87 1gqm s LEU 27 Ca 0.27 -0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 53.10 1gqm s LEU 27 Cb 0.07 -1.81 0.07 0.00 0.03 0.00 0.00 46.19 44.56 1gqm s LEU 27 CO 0.04 0.10 1.11 -0.94 0.23 0.00 0.00 176.35 176.88 1gqm s SER 28 N 0.79 4.61 0.19 2.29 1.04 -1.26 -1.19 113.70 120.17 1gqm s SER 28 Ca -0.00 0.61 -0.15 0.00 0.48 0.00 0.00 55.95 56.88 1gqm s SER 28 Cb -0.14 -1.16 0.18 0.00 0.10 0.00 0.00 66.02 65.00 1gqm s SER 28 CO 0.02 -1.79 1.64 0.50 0.98 0.00 0.00 173.24 174.59 1gqm h LYS 29 N -0.86 -0.01 -0.29 4.02 3.64 -1.99 0.38 116.57 121.47 1gqm h LYS 29 Ca -0.45 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1gqm h LYS 29 Cb 1.32 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1gqm h LYS 29 CO 0.62 -0.01 0.16 0.78 -2.27 0.00 0.00 179.45 178.74 1gqm h GLY 30 N -0.01 0.42 0.95 5.01 0.00 -1.97 -0.08 103.07 107.39 1gqm h GLY 30 Ca 0.26 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.43 1gqm h GLY 30 CO -0.57 0.18 0.64 0.83 0.00 0.00 0.00 176.54 177.62 1gqm h GLU 31 N 0.35 1.25 -0.31 4.80 5.08 -1.60 -2.04 114.58 122.11 1gqm h GLU 31 Ca 0.10 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1gqm h GLU 31 Cb 0.05 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1gqm h GLU 31 CO -0.02 0.83 -0.27 1.25 -1.00 0.00 0.00 179.01 179.80 1gqm h LEU 32 N 1.29 0.65 -0.31 1.33 5.85 0.56 -2.17 115.31 122.50 1gqm h LEU 32 Ca 0.37 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1gqm h LEU 32 Cb -0.08 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1gqm h LEU 32 CO -0.10 0.89 0.07 0.50 -0.34 0.00 0.00 178.44 179.47 1gqm h LYS 33 N 0.55 0.51 -0.13 1.25 3.64 -0.58 -0.45 116.57 121.35 1gqm h LYS 33 Ca 0.07 -0.13 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1gqm h LYS 33 Cb 0.75 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.44 1gqm h LYS 33 CO 0.06 0.58 -0.27 1.96 -2.27 0.00 0.00 179.45 179.51 1gqm h GLN 34 N 0.35 -0.33 -0.45 1.90 4.20 -1.06 0.44 115.11 120.16 1gqm h GLN 34 Ca 0.10 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1gqm h GLN 34 Cb 0.31 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1gqm h GLN 34 CO 0.00 -0.22 0.23 1.25 -0.67 0.00 0.00 178.83 179.42 1gqm h LEU 35 N -0.34 0.57 0.52 1.46 6.46 -1.20 -2.12 115.31 120.66 1gqm h LEU 35 Ca 0.10 -0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 1gqm h LEU 35 Cb 0.49 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 1gqm h LEU 35 CO -0.33 0.52 -0.44 -0.07 -0.62 0.00 0.00 178.44 177.50 1gqm h LEU 36 N 0.58 -1.19 -1.64 2.25 3.38 -0.55 0.55 115.31 118.70 1gqm h LEU 36 Ca 0.16 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1gqm h LEU 36 Cb 0.09 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1gqm h LEU 36 CO -0.02 -0.62 -0.20 0.71 0.09 0.00 0.00 178.44 178.39 1gqm h THR 37 N -0.95 1.01 0.00 0.22 1.35 -0.62 -1.18 112.91 112.73 1gqm h THR 37 Ca -0.06 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1gqm h THR 37 Cb 0.82 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1gqm h THR 37 CO -0.02 0.20 -0.77 1.17 -0.25 0.00 0.00 175.52 175.84 1gqm n LYS 38 N -4.10 1.75 -0.05 4.72 4.81 -0.82 -4.10 118.16 120.37 1gqm n LYS 38 Ca -0.02 -0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.40 1gqm n LYS 38 Cb 0.27 -1.25 -0.11 0.00 0.02 0.00 0.00 35.03 33.97 1gqm n LYS 38 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1gqm n GLU 39 N -1.39 1.37 -0.25 1.64 -0.58 0.18 -4.59 120.64 117.02 1gqm n GLU 39 Ca 0.03 -0.05 0.09 0.00 -0.42 0.00 0.00 57.16 56.81 1gqm n GLU 39 Cb 0.25 -1.34 0.18 0.00 -0.57 0.00 0.00 31.44 29.97 1gqm n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1gqm n LEU 40 N -2.32 2.92 0.25 -4.62 4.32 -0.46 -4.78 117.00 112.32 1gqm n LEU 40 Ca -0.15 -3.16 0.07 0.00 -0.02 0.00 0.00 56.01 52.76 1gqm n LEU 40 Cb 0.74 -0.48 0.60 0.00 -1.62 0.00 0.00 43.42 42.66 1gqm n LEU 40 CO 0.29 0.77 1.01 0.00 -1.22 0.00 0.00 177.39 178.24 1gqm h ALA 41 N 0.66 1.88 -0.60 -1.18 0.00 -1.71 -1.69 119.26 116.61 1gqm h ALA 41 Ca 0.01 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 1gqm h ALA 41 Cb 1.17 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 1gqm h ALA 41 CO 0.09 0.08 0.20 0.09 0.00 0.00 0.00 179.25 179.70 1gqm n ASN 42 N -4.44 4.08 0.00 0.00 3.02 -1.26 -4.56 115.26 112.10 1gqm n ASN 42 Ca -0.03 -3.34 0.00 0.00 -0.03 0.00 0.00 54.58 51.18 1gqm n ASN 42 Cb 0.14 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 1gqm n ASN 42 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1gqm n THR 43 N -0.52 0.00 -3.97 3.41 -1.04 -0.64 -5.05 114.28 106.47 1gqm n THR 43 Ca 0.38 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 62.04 1gqm n THR 43 Cb 1.26 -1.24 -0.10 0.00 -1.82 0.00 0.00 70.33 68.43 1gqm n THR 43 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1gqm s ILE 44 N -1.99 4.81 0.30 12.58 1.01 -1.20 -4.86 121.20 131.86 1gqm s ILE 44 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.33 1gqm s ILE 44 Cb 0.00 -3.18 -0.12 0.00 0.01 0.00 0.00 42.46 39.17 1gqm s ILE 44 CO 0.00 0.45 1.52 1.17 0.00 0.00 0.00 174.94 178.08 1gqm n LYS 45 N 3.62 2.54 -2.06 2.79 4.81 -1.26 -2.04 118.16 126.57 1gqm n LYS 45 Ca -0.16 0.90 -0.12 0.00 -0.87 0.00 0.00 58.31 58.06 1gqm n LYS 45 Cb 0.52 -2.64 -0.02 0.00 0.02 0.00 0.00 35.03 32.91 1gqm n LYS 45 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1gqm n ASN 46 N 1.79 -3.63 0.00 3.14 4.13 -1.26 -4.74 115.26 114.69 1gqm n ASN 46 Ca 0.08 0.24 0.00 0.00 1.68 0.00 0.00 54.58 56.57 1gqm n ASN 46 Cb 0.36 -3.20 0.00 0.00 -1.54 0.00 0.00 39.78 35.40 1gqm n ASN 46 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gqm n ILE 47 N -2.82 0.00 -0.44 2.41 3.06 -0.86 -1.03 119.36 119.68 1gqm n ILE 47 Ca -0.14 0.00 0.11 0.00 -2.50 0.00 0.00 62.75 60.22 1gqm n ILE 47 Cb 0.54 -0.96 0.32 0.00 0.54 0.00 0.00 39.64 40.08 1gqm n ILE 47 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1gqm n LYS 48 N -0.95 3.03 -3.54 9.51 5.02 -1.26 -4.64 118.16 125.34 1gqm n LYS 48 Ca 0.00 -2.69 -0.37 0.00 -2.02 0.00 0.00 58.31 53.23 1gqm n LYS 48 Cb 0.00 -1.64 -0.07 0.00 -0.02 0.00 0.00 35.03 33.30 1gqm n LYS 48 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1gqm s ASP 49 N -0.99 6.55 0.26 4.39 1.01 -0.20 -4.98 116.67 122.71 1gqm s ASP 49 Ca 0.48 0.65 -0.03 0.00 0.71 0.00 0.00 52.55 54.36 1gqm s ASP 49 Cb 0.27 -2.20 0.53 0.00 1.01 0.00 0.00 42.92 42.53 1gqm s ASP 49 CO 0.29 0.18 1.70 0.50 0.21 0.00 0.00 175.17 178.05 1gqm h LYS 50 N 5.99 0.33 -0.36 8.23 3.64 -1.91 -0.81 116.57 131.67 1gqm h LYS 50 Ca -0.45 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 58.97 1gqm h LYS 50 Cb 1.19 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 1gqm h LYS 50 CO 0.70 0.22 0.04 0.00 -2.27 0.00 0.00 179.45 178.13 1gqm h ALA 51 N 1.63 0.35 -0.70 5.00 0.00 -1.95 -1.18 119.26 122.41 1gqm h ALA 51 Ca 0.45 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.38 1gqm h ALA 51 Cb 0.78 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1gqm h ALA 51 CO -0.50 -0.37 0.17 0.28 0.00 0.00 0.00 179.25 178.83 1gqm h VAL 52 N 0.14 1.26 -0.72 0.00 2.07 -1.46 -1.61 116.25 115.93 1gqm h VAL 52 Ca 0.17 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1gqm h VAL 52 Cb 0.22 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1gqm h VAL 52 CO -0.26 0.37 0.32 0.40 0.02 0.00 0.00 177.57 178.42 1gqm h ILE 53 N 1.05 1.24 -0.04 4.57 2.04 -0.92 -0.69 117.51 124.76 1gqm h ILE 53 Ca 0.22 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.37 1gqm h ILE 53 Cb 0.37 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1gqm h ILE 53 CO 0.00 0.30 -0.03 -0.78 0.00 0.00 0.00 178.15 177.64 1gqm h ASP 54 N 1.02 -0.10 -0.84 1.72 3.58 -0.89 0.21 116.42 121.11 1gqm h ASP 54 Ca 0.24 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.75 1gqm h ASP 54 Cb 0.16 0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.22 1gqm h ASP 54 CO -0.03 -0.05 0.54 -0.08 -2.88 0.00 0.00 179.24 176.75 1gqm h GLU 55 N -0.04 1.01 -0.20 0.28 4.81 -1.08 0.23 114.58 119.59 1gqm h GLU 55 Ca 0.03 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1gqm h GLU 55 Cb 0.08 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 1gqm h GLU 55 CO -0.07 0.67 -0.22 0.82 -0.73 0.00 0.00 179.01 179.49 1gqm h ILE 56 N 1.04 1.33 -0.09 2.32 5.03 -0.16 -2.12 117.51 124.86 1gqm h ILE 56 Ca 0.34 -1.39 0.04 0.00 -0.12 0.00 0.00 64.86 63.73 1gqm h ILE 56 Cb 0.03 1.78 -0.05 0.00 -3.03 0.00 0.00 36.82 35.54 1gqm h ILE 56 CO -0.12 0.43 -0.25 0.15 -0.68 0.00 0.00 178.15 177.67 1gqm h PHE 57 N 0.17 -0.67 -1.00 1.37 3.57 0.22 -1.21 116.94 119.39 1gqm h PHE 57 Ca 0.03 0.03 0.20 0.00 3.53 0.00 0.00 57.97 61.76 1gqm h PHE 57 Cb 0.77 0.31 -0.11 0.00 2.79 0.00 0.00 35.95 39.71 1gqm h PHE 57 CO 0.08 -0.33 0.61 1.96 -2.23 0.00 0.00 178.31 178.40 1gqm h GLN 58 N -0.34 0.72 -0.08 1.11 1.08 -0.39 -0.98 115.11 116.22 1gqm h GLN 58 Ca 0.09 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.16 1gqm h GLN 58 Cb 0.47 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1gqm h GLN 58 CO -0.28 0.47 -0.29 0.78 -0.95 0.00 0.00 178.83 178.56 1gqm h GLY 59 N 0.74 0.37 2.00 3.46 0.00 -0.85 -3.21 103.07 105.58 1gqm h GLY 59 Ca 0.59 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1gqm h GLY 59 CO -0.39 0.44 -0.20 1.41 0.00 0.00 0.00 176.54 177.81 1gqm h LEU 60 N -0.14 0.00 -6.44 3.11 3.38 -0.35 -3.34 115.31 111.52 1gqm h LEU 60 Ca -0.01 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.19 1gqm h LEU 60 Cb 0.92 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.50 1gqm h LEU 60 CO 0.06 0.20 1.88 -0.67 0.09 0.00 0.00 178.44 180.00 1gqm n ASP 61 N -3.65 5.48 0.22 -0.43 2.03 -0.46 -4.78 116.55 114.95 1gqm n ASP 61 Ca -0.01 -3.16 0.12 0.00 0.52 0.00 0.00 54.79 52.26 1gqm n ASP 61 Cb 0.32 -1.44 0.71 0.00 -0.72 0.00 0.00 41.12 39.99 1gqm n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gqm h ALA 62 N 5.60 2.00 -0.08 -1.67 0.00 -1.80 -1.91 119.26 121.40 1gqm h ALA 62 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1gqm h ALA 62 Cb 0.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1gqm h ALA 62 CO 1.58 -0.14 0.00 0.27 0.00 0.00 0.00 179.25 180.96 1gqm n ASN 63 N -4.35 2.36 -2.52 0.00 0.23 -1.26 -4.96 115.26 104.76 1gqm n ASN 63 Ca -0.00 -1.79 -0.19 0.00 -0.53 0.00 0.00 54.58 52.07 1gqm n ASN 63 Cb 0.20 -0.04 0.02 0.00 -2.08 0.00 0.00 39.78 37.88 1gqm n ASN 63 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1gqm n GLN 64 N 0.83 -3.76 -0.80 -3.83 1.13 -0.72 -4.88 117.38 105.35 1gqm n GLN 64 Ca 0.17 0.80 0.08 0.00 -1.94 0.00 0.00 57.00 56.11 1gqm n GLN 64 Cb 0.48 -5.38 0.39 0.00 0.11 0.00 0.00 30.24 25.84 1gqm n GLN 64 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1gqm n ASP 65 N -1.83 5.40 -1.65 1.08 5.75 -1.26 -4.89 116.55 119.15 1gqm n ASP 65 Ca -0.12 -2.75 -0.17 0.00 -0.01 0.00 0.00 54.79 51.75 1gqm n ASP 65 Cb 0.61 -0.65 -0.06 0.00 -1.03 0.00 0.00 41.12 39.99 1gqm n ASP 65 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1gqm n GLU 66 N 0.84 -1.47 -4.16 0.11 -0.58 -1.26 -4.94 120.64 109.17 1gqm n GLU 66 Ca 0.27 0.95 -0.13 0.00 -0.42 0.00 0.00 57.16 57.83 1gqm n GLU 66 Cb 1.09 -5.31 -0.10 0.00 -0.57 0.00 0.00 31.44 26.54 1gqm n GLU 66 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1gqm s GLN 67 N -3.70 0.82 -0.30 3.49 -1.52 -1.26 -4.41 119.66 112.78 1gqm s GLN 67 Ca 0.00 -1.20 -0.01 0.00 -1.95 0.00 0.00 55.36 52.20 1gqm s GLN 67 Cb 0.00 -0.37 0.05 0.00 -0.22 0.00 0.00 33.01 32.47 1gqm s GLN 67 CO 0.00 0.04 -0.01 0.08 -0.25 0.00 0.00 175.29 175.14 1gqm s VAL 68 N -2.85 2.87 0.55 1.09 1.01 -0.33 -4.70 120.40 118.05 1gqm s VAL 68 Ca 0.07 -1.42 -0.03 0.00 0.00 0.00 0.00 61.98 60.59 1gqm s VAL 68 Cb -0.00 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.73 1gqm s VAL 68 CO -0.02 -0.10 0.82 1.51 0.00 0.00 0.00 175.10 177.31 1gqm s ASP 69 N 1.23 5.60 0.23 3.32 1.47 -1.26 -1.30 116.67 125.96 1gqm s ASP 69 Ca -0.06 0.49 -0.07 0.00 1.18 0.00 0.00 52.55 54.09 1gqm s ASP 69 Cb -0.20 -1.54 0.35 0.00 -0.34 0.00 0.00 42.92 41.19 1gqm s ASP 69 CO -0.02 -0.98 1.76 0.15 0.68 0.00 0.00 175.17 176.77 1gqm h PHE 70 N 0.02 0.56 0.00 2.11 3.57 -2.00 0.18 116.94 121.38 1gqm h PHE 70 Ca -0.45 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1gqm h PHE 70 Cb 1.26 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 1gqm h PHE 70 CO 0.45 0.17 -0.09 0.37 -2.23 0.00 0.00 178.31 176.98 1gqm h GLN 71 N 0.53 0.00 0.00 1.11 5.75 -1.98 0.28 115.11 120.80 1gqm h GLN 71 Ca 0.35 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.67 1gqm h GLN 71 Cb 0.42 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 1gqm h GLN 71 CO -0.30 0.09 -0.85 0.93 -2.65 0.00 0.00 178.83 176.05 1gqm h GLU 72 N 0.00 0.00 -0.02 1.69 5.08 -1.03 -3.17 114.58 117.12 1gqm h GLU 72 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1gqm h GLU 72 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1gqm h GLU 72 CO 0.01 0.85 -0.40 0.35 -1.00 0.00 0.00 179.01 178.82 1gqm h PHE 73 N 0.00 0.05 -0.98 4.33 3.04 0.65 -2.41 116.94 121.62 1gqm h PHE 73 Ca -0.01 -0.01 0.20 0.00 3.98 0.00 0.00 57.97 62.13 1gqm h PHE 73 Cb 1.55 -0.01 -0.09 0.00 2.56 0.00 0.00 35.95 39.95 1gqm h PHE 73 CO 0.00 0.44 0.62 0.82 -2.02 0.00 0.00 178.31 178.17 1gqm h ILE 74 N 0.04 0.68 -0.97 1.41 2.04 -1.35 0.49 117.51 119.85 1gqm h ILE 74 Ca 0.00 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1gqm h ILE 74 Cb 0.72 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 1gqm h ILE 74 CO 0.05 0.11 0.64 0.28 0.00 0.00 0.00 178.15 179.23 1gqm h SER 75 N 0.63 1.05 -0.99 1.72 0.02 -1.60 0.70 113.55 115.08 1gqm h SER 75 Ca 0.55 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.58 1gqm h SER 75 Cb 1.04 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 63.26 1gqm h SER 75 CO -0.31 0.72 0.63 0.25 -1.14 0.00 0.00 176.83 176.98 1gqm h LEU 76 N 1.22 0.96 -0.58 5.07 5.85 -0.16 -0.49 115.31 127.18 1gqm h LEU 76 Ca 0.39 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 59.01 1gqm h LEU 76 Cb 0.02 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1gqm h LEU 76 CO -0.12 0.57 -0.24 0.58 -0.34 0.00 0.00 178.44 178.88 1gqm h VAL 77 N 1.06 1.27 -0.33 1.05 2.07 -0.60 -0.26 116.25 120.51 1gqm h VAL 77 Ca 0.46 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1gqm h VAL 77 Cb 0.34 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1gqm h VAL 77 CO -0.21 0.47 0.20 0.00 0.02 0.00 0.00 177.57 178.05 1gqm h ALA 78 N 0.97 0.42 0.21 1.67 0.00 -0.09 0.23 119.26 122.67 1gqm h ALA 78 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1gqm h ALA 78 Cb 0.79 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1gqm h ALA 78 CO 0.07 -0.07 -0.10 0.82 0.00 0.00 0.00 179.25 179.96 1gqm h ILE 79 N 0.43 0.80 -0.19 0.00 2.04 -0.71 -0.93 117.51 118.94 1gqm h ILE 79 Ca 0.12 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.98 1gqm h ILE 79 Cb 0.01 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 1gqm h ILE 79 CO -0.02 0.01 -0.36 0.00 0.00 0.00 0.00 178.15 177.78 1gqm h ALA 80 N 0.48 -0.42 -0.77 1.87 0.00 -0.85 -1.05 119.26 118.52 1gqm h ALA 80 Ca -0.03 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.07 1gqm h ALA 80 Cb 0.24 0.70 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 1gqm h ALA 80 CO 0.05 -0.83 0.27 -0.07 0.00 0.00 0.00 179.25 178.67 1gqm h LEU 81 N -0.40 0.18 0.05 0.00 3.38 -0.24 0.52 115.31 118.79 1gqm h LEU 81 Ca 0.10 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1gqm h LEU 81 Cb 0.57 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 1gqm h LEU 81 CO -0.41 0.03 -0.40 0.50 0.09 0.00 0.00 178.44 178.26 1gqm h LYS 82 N 0.37 -0.56 0.11 1.13 3.64 0.12 -1.66 116.57 119.72 1gqm h LYS 82 Ca 0.44 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.88 1gqm h LYS 82 Cb 0.73 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 1gqm h LYS 82 CO -0.47 -0.37 -0.26 0.00 -2.27 0.00 0.00 179.45 176.08 1gqm h ALA 83 N -0.02 -0.44 -1.00 5.00 0.00 0.49 -2.49 119.26 120.80 1gqm h ALA 83 Ca 0.04 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.14 1gqm h ALA 83 Cb 0.64 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 1gqm h ALA 83 CO -0.28 -0.79 0.63 0.00 0.00 0.00 0.00 179.25 178.81 1gqm h ALA 84 N 0.28 1.99 0.00 0.00 0.00 -0.56 0.24 119.26 121.20 1gqm h ALA 84 Ca 0.03 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1gqm h ALA 84 Cb 0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1gqm h ALA 84 CO -0.16 -0.37 -0.25 1.25 0.00 0.00 0.00 179.25 179.72 1gqm h HIS 85 N 0.54 0.00 -0.54 0.00 6.17 -0.87 -3.27 115.15 117.19 1gqm h HIS 85 Ca 0.57 0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.57 1gqm h HIS 85 Cb 1.20 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 31.11 1gqm h HIS 85 CO -0.00 0.25 0.02 -0.92 0.71 0.00 0.00 177.93 177.99 1gqm h TYR 86 N 0.00 0.97 0.00 5.26 3.20 -0.20 -3.52 116.97 122.67 1gqm h TYR 86 Ca -0.00 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.73 1gqm h TYR 86 Cb 0.92 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1gqm h TYR 86 CO 0.00 0.86 0.00 -2.39 -1.64 0.00 0.00 178.16 174.99