#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 0.25 -0.52 -0.78 1.57 -2.05 0.22 116.57 115.26 1gqm h LYS 2 Ca 0.00 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1gqm h LYS 2 Cb 0.00 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 1gqm h LYS 2 CO 0.00 0.17 0.22 1.25 -0.57 0.00 0.00 179.45 180.52 1gqm h LEU 3 N 0.26 0.27 -0.73 2.94 7.12 -2.05 0.73 115.31 123.84 1gqm h LEU 3 Ca 0.09 0.05 0.04 0.00 0.13 0.00 0.00 57.88 58.19 1gqm h LEU 3 Cb 0.00 0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.09 1gqm h LEU 3 CO -0.05 0.18 0.45 -0.33 -0.13 0.00 0.00 178.44 178.57 1gqm h GLU 4 N 0.42 0.83 -0.54 1.25 5.08 -1.92 -0.32 114.58 119.39 1gqm h GLU 4 Ca 0.25 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1gqm h GLU 4 Cb 0.23 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1gqm h GLU 4 CO -0.22 0.55 0.22 0.93 -1.00 0.00 0.00 179.01 179.49 1gqm h GLU 5 N 0.86 0.82 -0.68 2.33 5.08 0.28 0.17 114.58 123.43 1gqm h GLU 5 Ca 0.30 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1gqm h GLU 5 Cb 0.07 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1gqm h GLU 5 CO -0.13 0.71 0.35 0.45 -1.00 0.00 0.00 179.01 179.39 1gqm h HIS 6 N 0.74 0.95 -0.15 4.33 3.86 0.73 0.42 115.15 126.02 1gqm h HIS 6 Ca 0.18 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 1gqm h HIS 6 Cb 0.20 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 1gqm h HIS 6 CO 0.01 0.68 0.03 -0.07 0.86 0.00 0.00 177.93 179.44 1gqm h LEU 7 N 0.96 0.23 -1.46 2.43 3.38 0.13 -1.44 115.31 119.54 1gqm h LEU 7 Ca 0.24 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1gqm h LEU 7 Cb 0.07 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1gqm h LEU 7 CO -0.03 0.41 0.05 -0.08 0.09 0.00 0.00 178.44 178.88 1gqm h GLU 8 N 0.04 0.41 -0.13 1.13 4.81 -0.60 -1.75 114.58 118.49 1gqm h GLU 8 Ca 0.05 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1gqm h GLU 8 Cb 0.27 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1gqm h GLU 8 CO 0.00 0.39 -0.14 0.78 -0.73 0.00 0.00 179.01 179.32 1gqm h GLY 9 N 0.65 -0.06 1.36 1.92 0.00 -0.31 0.30 103.07 106.92 1gqm h GLY 9 Ca 0.10 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 1gqm h GLY 9 CO -0.00 -0.14 0.26 -2.22 0.00 0.00 0.00 176.54 174.43 1gqm h ILE 10 N -0.17 1.20 -0.20 2.60 2.04 -0.48 0.12 117.51 122.63 1gqm h ILE 10 Ca 0.09 -0.60 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 1gqm h ILE 10 Cb 0.30 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1gqm h ILE 10 CO -0.23 0.24 -0.09 0.58 0.00 0.00 0.00 178.15 178.66 1gqm h VAL 11 N 0.83 1.30 -0.77 1.67 2.07 -0.49 -1.92 116.25 118.93 1gqm h VAL 11 Ca 0.20 -1.13 0.09 0.00 0.82 0.00 0.00 66.70 66.69 1gqm h VAL 11 Cb 0.12 1.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 1gqm h VAL 11 CO -0.02 0.34 0.42 0.78 0.02 0.00 0.00 177.57 179.11 1gqm h ASN 12 N 0.11 0.58 0.05 0.57 2.35 0.38 -1.77 115.58 117.85 1gqm h ASN 12 Ca 0.05 0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 1gqm h ASN 12 Cb 0.56 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1gqm h ASN 12 CO 0.03 0.33 -0.33 0.40 -1.65 0.00 0.00 177.43 176.21 1gqm h ILE 13 N 0.70 1.28 0.24 2.81 2.04 -0.42 -0.06 117.51 124.11 1gqm h ILE 13 Ca 0.38 -1.39 0.01 0.00 1.00 0.00 0.00 64.86 64.85 1gqm h ILE 13 Cb 0.37 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1gqm h ILE 13 CO -0.26 0.43 -0.35 0.15 0.00 0.00 0.00 178.15 178.12 1gqm h PHE 14 N 0.35 -0.95 -0.17 1.37 3.57 -0.55 -2.32 116.94 118.25 1gqm h PHE 14 Ca 0.04 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1gqm h PHE 14 Cb 0.75 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1gqm h PHE 14 CO 0.02 -0.48 -0.19 0.45 -2.23 0.00 0.00 178.31 175.89 1gqm h HIS 15 N -0.66 0.30 -0.98 0.41 3.86 -1.07 -0.99 115.15 116.02 1gqm h HIS 15 Ca 0.00 -0.04 0.21 0.00 -1.16 0.00 0.00 60.37 59.37 1gqm h HIS 15 Cb 0.63 -0.08 -0.09 0.00 1.06 0.00 0.00 27.41 28.93 1gqm h HIS 15 CO -0.25 0.46 0.62 0.37 0.86 0.00 0.00 177.93 179.99 1gqm h GLN 16 N 0.26 0.59 0.00 2.45 4.15 -0.45 -2.13 115.11 119.98 1gqm h GLN 16 Ca 0.05 -0.04 -0.20 0.00 0.77 0.00 0.00 58.65 59.23 1gqm h GLN 16 Cb 0.49 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.01 1gqm h GLN 16 CO 0.03 0.39 -1.82 0.66 -1.93 0.00 0.00 178.83 176.17 1gqm n TYR 17 N -4.68 0.53 0.31 3.99 4.01 -0.72 -4.37 117.16 116.22 1gqm n TYR 17 Ca 0.23 0.18 0.14 0.00 -0.16 0.00 0.00 57.90 58.28 1gqm n TYR 17 Cb 0.66 -0.97 0.36 0.00 -0.31 0.00 0.00 39.34 39.08 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 1.33 7.72 4.64 -0.54 -3.19 113.55 123.51 1gqm h SER 18 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1gqm h SER 18 Cb 1.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 1gqm h SER 18 CO 0.03 0.00 -0.36 -0.37 -0.87 0.00 0.00 176.83 175.27 1gqm h VAL 19 N 0.00 0.00 -0.37 0.95 -1.51 -1.51 -3.37 116.25 110.43 1gqm h VAL 19 Ca 0.00 -0.69 0.08 0.00 -1.23 0.00 0.00 66.70 64.86 1gqm h VAL 19 Cb 0.79 1.48 -0.08 0.00 -2.13 0.00 0.00 31.29 31.35 1gqm h VAL 19 CO 0.00 0.00 -0.13 0.03 -1.23 0.00 0.00 177.57 176.24 1gqm h ARG 20 N 0.00 -0.05 -4.38 5.19 3.08 -1.79 -3.45 114.38 112.99 1gqm h ARG 20 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.85 1gqm h ARG 20 Cb 0.84 0.01 -0.18 0.00 0.08 0.00 0.00 29.97 30.72 1gqm h ARG 20 CO 0.00 -0.03 -0.71 0.15 -1.07 0.00 0.00 179.97 178.31 1gqm s LYS 21 N -6.19 0.56 4.73 0.04 1.02 -1.26 -5.10 119.74 113.54 1gqm s LYS 21 Ca -0.14 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 54.91 1gqm s LYS 21 Cb 0.14 -0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 1gqm s LYS 21 CO 0.70 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.52 1gqm n GLY 22 N 0.89 2.49 3.74 -3.33 0.00 -1.26 -4.63 105.19 103.09 1gqm n GLY 22 Ca -0.19 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1gqm n GLY 22 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1gqm n HIS 23 N 12.28 2.73 0.09 1.61 -0.00 -1.26 -4.91 115.22 125.76 1gqm n HIS 23 Ca 0.00 0.33 -0.06 0.00 -0.00 0.00 0.00 57.72 57.99 1gqm n HIS 23 Cb 0.00 -2.55 0.03 0.00 -0.00 0.00 0.00 29.99 27.47 1gqm n HIS 23 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 1gqm h PHE 24 N 4.25 0.19 -0.46 1.57 0.04 -1.82 -3.10 116.94 117.59 1gqm h PHE 24 Ca -0.47 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.20 1gqm h PHE 24 Cb 1.24 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.37 1gqm h PHE 24 CO 0.57 0.88 0.00 -3.47 -0.60 0.00 0.00 178.31 175.68 1gqm n ASP 25 N -3.67 2.63 -4.00 2.17 -0.08 -1.26 -3.41 116.55 108.93 1gqm n ASP 25 Ca -0.02 -2.04 -0.11 0.00 -1.51 0.00 0.00 54.79 51.11 1gqm n ASP 25 Cb 0.76 -0.34 -0.11 0.00 2.34 0.00 0.00 41.12 43.77 1gqm n ASP 25 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1gqm s THR 26 N -1.43 0.25 -0.17 5.18 -4.23 -1.17 -4.36 115.64 109.72 1gqm s THR 26 Ca 0.32 -0.92 -0.13 0.00 -1.18 0.00 0.00 61.69 59.78 1gqm s THR 26 Cb 0.17 -0.37 -0.05 0.00 1.34 0.00 0.00 72.50 73.60 1gqm s THR 26 CO 0.21 -0.43 0.26 -0.76 -0.54 0.00 0.00 174.62 173.35 1gqm s LEU 27 N -1.42 4.24 0.54 4.79 1.43 -0.87 -4.57 118.68 122.82 1gqm s LEU 27 Ca -0.13 0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1gqm s LEU 27 Cb -0.10 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 1gqm s LEU 27 CO -0.00 0.12 0.85 -0.94 0.23 0.00 0.00 176.35 176.60 1gqm s SER 28 N 0.43 5.95 0.29 2.29 1.04 -1.26 0.07 113.70 122.51 1gqm s SER 28 Ca 0.15 0.85 0.02 0.00 0.48 0.00 0.00 55.95 57.44 1gqm s SER 28 Cb -0.13 -2.00 0.71 0.00 0.10 0.00 0.00 66.02 64.70 1gqm s SER 28 CO 0.03 -0.82 1.65 0.50 0.98 0.00 0.00 173.24 175.58 1gqm h LYS 29 N 0.02 0.20 -0.36 4.02 3.64 -1.99 0.32 116.57 122.41 1gqm h LYS 29 Ca -0.46 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.88 1gqm h LYS 29 Cb 1.23 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1gqm h LYS 29 CO 0.61 0.13 0.10 0.78 -2.27 0.00 0.00 179.45 178.80 1gqm h GLY 30 N 0.20 0.61 1.21 5.01 0.00 -1.98 -0.56 103.07 107.56 1gqm h GLY 30 Ca 0.55 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 47.39 1gqm h GLY 30 CO -0.66 0.35 -0.17 0.83 0.00 0.00 0.00 176.54 176.89 1gqm h GLU 31 N 0.43 0.92 -0.55 4.80 5.08 -1.13 -2.60 114.58 121.52 1gqm h GLU 31 Ca 0.11 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 1gqm h GLU 31 Cb 0.28 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1gqm h GLU 31 CO -0.00 1.01 -0.02 1.25 -1.00 0.00 0.00 179.01 180.25 1gqm h LEU 32 N 0.81 0.93 -0.82 1.33 5.85 -0.30 -1.53 115.31 121.57 1gqm h LEU 32 Ca 0.12 -0.26 0.13 0.00 0.84 0.00 0.00 57.88 58.71 1gqm h LEU 32 Cb 0.71 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.41 1gqm h LEU 32 CO 0.05 1.00 0.42 0.50 -0.34 0.00 0.00 178.44 180.07 1gqm h LYS 33 N 0.87 0.62 0.19 1.25 3.64 -0.88 0.46 116.57 122.73 1gqm h LYS 33 Ca 0.16 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1gqm h LYS 33 Cb 0.54 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1gqm h LYS 33 CO 0.03 0.41 -0.09 1.96 -2.27 0.00 0.00 179.45 179.49 1gqm h GLN 34 N 0.64 -0.25 -0.06 1.90 4.20 -0.94 0.45 115.11 121.06 1gqm h GLN 34 Ca 0.43 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.20 1gqm h GLN 34 Cb 0.56 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.35 1gqm h GLN 34 CO -0.33 0.04 -0.23 1.25 -0.67 0.00 0.00 178.83 178.89 1gqm h LEU 35 N -0.52 -0.69 0.30 1.46 6.46 -0.90 0.34 115.31 121.75 1gqm h LEU 35 Ca -0.03 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1gqm h LEU 35 Cb 0.40 0.30 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 1gqm h LEU 35 CO 0.04 -0.29 -0.28 -0.07 -0.62 0.00 0.00 178.44 177.23 1gqm h LEU 36 N -0.33 -0.74 -1.23 2.25 3.38 -0.03 0.49 115.31 119.11 1gqm h LEU 36 Ca 0.08 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1gqm h LEU 36 Cb 0.44 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1gqm h LEU 36 CO -0.25 -0.40 -0.37 0.71 0.09 0.00 0.00 178.44 178.22 1gqm h THR 37 N -0.60 1.13 0.02 0.22 1.35 -0.34 -2.20 112.91 112.49 1gqm h THR 37 Ca -0.02 -1.32 -0.35 0.00 -0.55 0.00 0.00 66.41 64.18 1gqm h THR 37 Cb 0.54 1.74 -0.06 0.00 -1.73 0.00 0.00 68.15 68.64 1gqm h THR 37 CO -0.04 0.36 -2.17 1.17 -0.25 0.00 0.00 175.52 174.59 1gqm n LYS 38 N -3.91 0.68 0.01 4.72 4.81 0.11 -4.25 118.16 120.32 1gqm n LYS 38 Ca -0.02 0.14 0.11 0.00 -0.87 0.00 0.00 58.31 57.67 1gqm n LYS 38 Cb 0.43 -1.62 -0.09 0.00 0.02 0.00 0.00 35.03 33.76 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 -3.02 0.31 -0.95 1.64 -0.58 0.16 -4.30 120.64 113.89 1gqm n GLU 39 Ca -0.31 -0.07 0.05 0.00 -0.42 0.00 0.00 57.16 56.41 1gqm n GLU 39 Cb 1.08 -1.54 0.10 0.00 -0.57 0.00 0.00 31.44 30.52 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 -1.91 1.71 0.27 -4.62 4.77 -0.83 -4.80 117.00 111.60 1gqm n LEU 40 Ca 0.01 -2.78 0.14 0.00 -0.03 0.00 0.00 56.01 53.34 1gqm n LEU 40 Cb 0.44 -0.25 0.76 0.00 -2.33 0.00 0.00 43.42 42.05 1gqm n LEU 40 CO 0.43 0.87 1.00 0.00 -1.33 0.00 0.00 177.39 178.36 1gqm h ALA 41 N 0.85 1.29 -0.43 -1.18 0.00 -1.74 -0.82 119.26 117.23 1gqm h ALA 41 Ca -0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1gqm h ALA 41 Cb 1.43 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1gqm h ALA 41 CO 0.04 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.51 1gqm n ASN 42 N -3.62 4.90 0.00 0.00 3.02 -1.26 -4.58 115.26 113.73 1gqm n ASN 42 Ca -0.02 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.55 1gqm n ASN 42 Cb 0.22 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 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 0.10 0.00 -3.79 3.41 -1.04 -0.33 -5.00 114.28 107.62 1gqm n THR 43 Ca 0.25 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.90 1gqm n THR 43 Cb 1.06 -0.91 -0.13 0.00 -1.82 0.00 0.00 70.33 68.54 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 -1.97 4.09 0.43 12.58 1.01 -1.07 -4.86 121.20 131.40 1gqm s ILE 44 Ca 0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 60.65 60.13 1gqm s ILE 44 Cb 0.00 -2.91 -0.09 0.00 0.01 0.00 0.00 42.46 39.47 1gqm s ILE 44 CO 0.00 0.35 1.46 2.29 0.00 0.00 0.00 174.94 179.04 1gqm n LYS 45 N 4.89 2.42 -1.57 2.79 0.00 -1.26 -1.80 118.16 123.63 1gqm n LYS 45 Ca -0.17 0.86 -0.19 0.00 -0.00 0.00 0.00 58.31 58.81 1gqm n LYS 45 Cb 0.51 -2.66 -0.08 0.00 -0.00 0.00 0.00 35.03 32.80 1gqm n LYS 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1gqm n ASN 46 N 0.01 -5.36 0.00 -5.58 5.03 -1.26 -4.76 115.26 103.33 1gqm n ASN 46 Ca 0.04 0.48 0.00 0.00 0.87 0.00 0.00 54.58 55.97 1gqm n ASN 46 Cb 0.41 -4.58 0.00 0.00 -1.02 0.00 0.00 39.78 34.59 1gqm n ASN 46 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1gqm n ILE 47 N -2.43 1.53 0.25 2.41 0.13 -0.75 0.10 119.36 120.60 1gqm n ILE 47 Ca -0.19 0.47 0.13 0.00 -1.10 0.00 0.00 62.75 62.06 1gqm n ILE 47 Cb 0.64 -1.47 0.30 0.00 -0.84 0.00 0.00 39.64 38.27 1gqm n ILE 47 CO 0.00 0.00 0.00 0.11 2.80 0.00 0.00 176.55 179.46 1gqm h LYS 48 N 0.00 0.00 -6.21 9.51 1.57 -1.86 -3.43 116.57 116.15 1gqm h LYS 48 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1gqm h LYS 48 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1gqm h LYS 48 CO 0.00 0.00 0.86 -0.51 -0.57 0.00 0.00 179.45 179.23 1gqm s ASP 49 N -6.03 6.95 0.26 0.86 1.01 0.12 -4.93 116.67 114.91 1gqm s ASP 49 Ca 0.06 1.78 -0.07 0.00 0.71 0.00 0.00 52.55 55.03 1gqm s ASP 49 Cb 0.06 -2.54 0.45 0.00 1.01 0.00 0.00 42.92 41.89 1gqm s ASP 49 CO 0.64 -0.72 1.45 1.17 0.21 0.00 0.00 175.17 177.92 1gqm n LYS 50 N 6.19 -0.08 -0.22 8.23 4.81 -1.26 0.96 118.16 136.78 1gqm n LYS 50 Ca 0.13 1.45 -0.05 0.00 -0.87 0.00 0.00 58.31 58.97 1gqm n LYS 50 Cb 0.45 -2.17 0.11 0.00 0.02 0.00 0.00 35.03 33.44 1gqm n LYS 50 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1gqm h ALA 51 N 1.86 1.08 -0.67 3.14 0.00 -1.95 -1.65 119.26 121.06 1gqm h ALA 51 Ca 0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1gqm h ALA 51 Cb 0.71 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1gqm h ALA 51 CO -0.95 0.63 0.32 0.28 0.00 0.00 0.00 179.25 179.52 1gqm h VAL 52 N 1.01 1.23 -0.30 0.00 2.07 0.31 -0.94 116.25 119.61 1gqm h VAL 52 Ca 0.22 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1gqm h VAL 52 Cb 0.30 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1gqm h VAL 52 CO -0.01 0.27 0.13 0.40 0.02 0.00 0.00 177.57 178.38 1gqm h ILE 53 N 0.93 1.17 -0.41 4.57 2.04 -0.93 -1.05 117.51 123.83 1gqm h ILE 53 Ca 0.23 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1gqm h ILE 53 Cb 0.13 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1gqm h ILE 53 CO -0.03 0.17 0.21 -0.78 0.00 0.00 0.00 178.15 177.73 1gqm h ASP 54 N 0.35 0.50 -0.11 1.72 3.58 -1.06 0.66 116.42 122.06 1gqm h ASP 54 Ca 0.10 -0.04 -0.22 0.00 0.42 0.00 0.00 57.03 57.30 1gqm h ASP 54 Cb 0.15 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.08 1gqm h ASP 54 CO -0.01 0.42 -0.77 -0.08 -2.88 0.00 0.00 179.24 175.92 1gqm h GLU 55 N 0.57 0.71 -0.38 0.28 4.81 -0.74 -1.18 114.58 118.65 1gqm h GLU 55 Ca 0.15 -0.63 -0.03 0.00 -0.13 0.00 0.00 59.36 58.72 1gqm h GLU 55 Cb 0.04 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1gqm h GLU 55 CO -0.02 1.23 0.11 0.82 -0.73 0.00 0.00 179.01 180.41 1gqm h ILE 56 N 0.41 1.22 0.09 2.32 2.04 -0.68 -2.51 117.51 120.40 1gqm h ILE 56 Ca -0.07 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.07 1gqm h ILE 56 Cb 1.42 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 1gqm h ILE 56 CO 0.16 0.25 -0.15 0.15 0.00 0.00 0.00 178.15 178.57 1gqm h PHE 57 N 0.47 -0.38 -0.03 1.37 3.57 -0.79 -1.90 116.94 119.25 1gqm h PHE 57 Ca 0.12 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1gqm h PHE 57 Cb 0.28 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1gqm h PHE 57 CO 0.01 -0.22 0.05 1.96 -2.23 0.00 0.00 178.31 177.88 1gqm h GLN 58 N -0.29 0.00 0.03 1.11 1.08 -1.01 -1.17 115.11 114.85 1gqm h GLN 58 Ca 0.02 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.95 1gqm h GLN 58 Cb 0.31 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.70 1gqm h GLN 58 CO -0.08 0.00 -1.47 0.78 -0.95 0.00 0.00 178.83 177.11 1gqm h GLY 59 N 0.00 0.06 1.93 3.46 0.00 -0.93 -3.29 103.07 104.30 1gqm h GLY 59 Ca 0.02 -0.16 -0.19 0.00 0.00 0.00 0.00 47.33 47.00 1gqm h GLY 59 CO -0.00 0.14 -0.89 1.41 0.00 0.00 0.00 176.54 177.20 1gqm h LEU 60 N 0.01 0.09 -4.89 3.11 3.38 -0.59 -3.37 115.31 113.05 1gqm h LEU 60 Ca -0.20 -0.08 -0.53 0.00 0.09 0.00 0.00 57.88 57.17 1gqm h LEU 60 Cb 1.94 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 42.67 1gqm h LEU 60 CO 0.11 0.93 2.85 -0.67 0.09 0.00 0.00 178.44 181.74 1gqm n ASP 61 N -3.55 7.38 -0.33 -0.43 2.03 -0.54 -4.69 116.55 116.43 1gqm n ASP 61 Ca -0.02 -2.50 0.25 0.00 0.52 0.00 0.00 54.79 53.05 1gqm n ASP 61 Cb 0.83 -1.43 0.47 0.00 -0.72 0.00 0.00 41.12 40.26 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 4.87 1.77 -0.55 -1.67 0.00 -1.82 0.27 119.26 122.13 1gqm h ALA 62 Ca 0.68 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.88 1gqm h ALA 62 Cb 0.48 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1gqm h ALA 62 CO 1.43 -0.79 0.00 0.27 0.00 0.00 0.00 179.25 180.16 1gqm n ASN 63 N -5.34 3.22 -2.48 0.00 0.23 -1.26 -4.95 115.26 104.67 1gqm n ASN 63 Ca 0.32 -2.09 -0.15 0.00 -0.53 0.00 0.00 54.58 52.13 1gqm n ASN 63 Cb 1.07 -0.41 -0.01 0.00 -2.08 0.00 0.00 39.78 38.35 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 1.07 -2.24 -0.21 -3.83 1.13 0.96 -4.79 117.38 109.47 1gqm n GLN 64 Ca 0.19 0.68 0.09 0.00 -1.94 0.00 0.00 57.00 56.03 1gqm n GLN 64 Cb 0.54 -5.30 0.26 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 -1.88 2.66 -0.52 1.08 5.68 -1.26 -4.89 116.55 117.41 1gqm n ASP 65 Ca -0.16 -1.94 -0.07 0.00 -0.50 0.00 0.00 54.79 52.13 1gqm n ASP 65 Cb 0.62 -0.28 -0.03 0.00 -1.14 0.00 0.00 41.12 40.30 1gqm n ASP 65 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1gqm n GLU 66 N 0.95 -0.77 -4.17 0.11 -0.58 -1.26 -4.99 120.64 109.94 1gqm n GLU 66 Ca 0.17 0.66 -0.17 0.00 -0.42 0.00 0.00 57.16 57.40 1gqm n GLU 66 Cb 0.44 -4.51 -0.12 0.00 -0.57 0.00 0.00 31.44 26.69 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 -2.24 0.71 -0.44 3.49 -1.52 -1.26 -4.50 119.66 113.90 1gqm s GLN 67 Ca 0.00 -0.80 -0.11 0.00 -1.95 0.00 0.00 55.36 52.50 1gqm s GLN 67 Cb 0.00 -0.64 0.08 0.00 -0.22 0.00 0.00 33.01 32.23 1gqm s GLN 67 CO 0.00 0.14 0.31 0.08 -0.25 0.00 0.00 175.29 175.57 1gqm s VAL 68 N -1.16 4.57 0.88 1.09 1.01 0.11 -4.72 120.40 122.18 1gqm s VAL 68 Ca -0.04 -1.29 -0.11 0.00 0.00 0.00 0.00 61.98 60.55 1gqm s VAL 68 Cb -0.09 -3.77 0.18 0.00 0.00 0.00 0.00 36.38 32.70 1gqm s VAL 68 CO 0.01 -0.53 1.21 1.51 0.00 0.00 0.00 175.10 177.30 1gqm s ASP 69 N 2.28 3.51 0.16 3.32 1.47 -1.26 -2.04 116.67 124.10 1gqm s ASP 69 Ca 0.03 0.01 -0.13 0.00 1.18 0.00 0.00 52.55 53.64 1gqm s ASP 69 Cb -0.23 -0.15 0.05 0.00 -0.34 0.00 0.00 42.92 42.24 1gqm s ASP 69 CO 0.04 -2.46 1.71 0.15 0.68 0.00 0.00 175.17 175.29 1gqm h PHE 70 N -1.27 0.81 -0.32 2.11 3.57 -1.99 0.16 116.94 120.01 1gqm h PHE 70 Ca -0.41 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 60.97 1gqm h PHE 70 Cb 1.24 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1gqm h PHE 70 CO -0.86 0.67 -0.02 0.37 -2.23 0.00 0.00 178.31 176.24 1gqm h GLN 71 N 0.71 0.50 0.00 1.11 5.75 -1.97 -0.78 115.11 120.43 1gqm h GLN 71 Ca 0.17 -0.11 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 1gqm h GLN 71 Cb 0.21 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 1gqm h GLN 71 CO -0.01 0.54 -0.40 0.93 -2.65 0.00 0.00 178.83 177.23 1gqm h GLU 72 N 0.47 0.00 -0.72 1.69 5.08 -1.62 -2.92 114.58 116.56 1gqm h GLU 72 Ca 0.10 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1gqm h GLU 72 Cb 0.34 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1gqm h GLU 72 CO 0.01 0.40 0.30 0.35 -1.00 0.00 0.00 179.01 179.08 1gqm h PHE 73 N 0.00 1.07 -0.92 4.33 -0.00 0.76 -2.89 116.94 119.29 1gqm h PHE 73 Ca -0.00 -0.07 0.21 0.00 -0.00 0.00 0.00 57.97 58.12 1gqm h PHE 73 Cb 0.93 -0.33 -0.07 0.00 -0.00 0.00 0.00 35.95 36.49 1gqm h PHE 73 CO 0.00 0.81 0.61 0.82 -0.00 0.00 0.00 178.31 180.55 1gqm h ILE 74 N 1.04 0.65 -1.00 1.41 2.04 -1.23 0.83 117.51 121.25 1gqm h ILE 74 Ca 0.25 -0.13 0.10 0.00 1.00 0.00 0.00 64.86 66.08 1gqm h ILE 74 Cb 0.17 0.24 -0.08 0.00 -0.74 0.00 0.00 36.82 36.42 1gqm h ILE 74 CO -0.02 0.07 0.64 0.28 0.00 0.00 0.00 178.15 179.11 1gqm h SER 75 N 0.38 0.96 0.65 1.72 0.02 -1.67 0.80 113.55 116.41 1gqm h SER 75 Ca 0.48 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.35 1gqm h SER 75 Cb 1.25 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1gqm h SER 75 CO -0.18 0.54 -0.57 0.25 -1.14 0.00 0.00 176.83 175.73 1gqm h LEU 76 N 1.05 0.00 -0.64 5.07 5.85 0.54 -2.37 115.31 124.81 1gqm h LEU 76 Ca 0.48 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.07 1gqm h LEU 76 Cb 0.39 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1gqm h LEU 76 CO -0.23 0.57 -0.24 0.58 -0.34 0.00 0.00 178.44 178.78 1gqm h VAL 77 N 0.00 1.27 -0.49 1.05 2.07 -0.58 -1.03 116.25 118.56 1gqm h VAL 77 Ca -0.01 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 1gqm h VAL 77 Cb 1.06 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1gqm h VAL 77 CO 0.07 0.46 0.11 0.00 0.02 0.00 0.00 177.57 178.24 1gqm h ALA 78 N 1.03 0.64 0.17 1.67 0.00 -0.86 0.23 119.26 122.15 1gqm h ALA 78 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1gqm h ALA 78 Cb 0.77 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1gqm h ALA 78 CO 0.06 0.34 -0.08 0.82 0.00 0.00 0.00 179.25 180.39 1gqm h ILE 79 N 0.66 0.86 -0.64 0.00 2.04 -1.01 -1.70 117.51 117.73 1gqm h ILE 79 Ca 0.15 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.94 1gqm h ILE 79 Cb 0.34 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 1gqm h ILE 79 CO 0.00 0.03 0.33 0.00 0.00 0.00 0.00 178.15 178.51 1gqm h ALA 80 N 0.52 0.86 0.00 1.87 0.00 -1.07 0.21 119.26 121.66 1gqm h ALA 80 Ca -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1gqm h ALA 80 Cb 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1gqm h ALA 80 CO 0.04 -0.04 -0.11 1.25 0.00 0.00 0.00 179.25 180.40 1gqm h LEU 81 N 0.59 0.00 -0.32 0.00 6.46 -0.27 0.28 115.31 122.05 1gqm h LEU 81 Ca 0.30 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.87 1gqm h LEU 81 Cb 0.26 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1gqm h LEU 81 CO -0.22 0.11 -0.61 0.50 -0.62 0.00 0.00 178.44 177.60 1gqm h LYS 82 N 0.00 0.76 -0.03 1.25 3.64 0.33 -2.76 116.57 119.77 1gqm h LYS 82 Ca -0.00 -0.52 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1gqm h LYS 82 Cb 0.27 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1gqm h LYS 82 CO 0.01 1.14 -0.04 0.00 -2.27 0.00 0.00 179.45 178.30 1gqm h ALA 83 N 0.74 0.05 -0.85 5.00 0.00 0.24 -2.72 119.26 121.72 1gqm h ALA 83 Ca -0.00 -0.28 0.15 0.00 0.00 0.00 0.00 54.91 54.78 1gqm h ALA 83 Cb 1.21 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1gqm h ALA 83 CO 0.13 -0.16 0.55 0.00 0.00 0.00 0.00 179.25 179.77 1gqm h ALA 84 N 0.51 1.96 -0.15 0.00 0.00 -1.23 0.39 119.26 120.74 1gqm h ALA 84 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1gqm h ALA 84 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1gqm h ALA 84 CO 0.01 -0.19 -0.40 1.25 0.00 0.00 0.00 179.25 179.92 1gqm h HIS 85 N 0.58 0.38 0.20 0.00 6.17 -1.37 -3.30 115.15 117.80 1gqm h HIS 85 Ca 0.42 -0.10 -0.01 0.00 0.71 0.00 0.00 60.37 61.39 1gqm h HIS 85 Cb 0.80 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 30.64 1gqm h HIS 85 CO -0.00 0.68 -0.09 -0.92 0.71 0.00 0.00 177.93 178.30 1gqm h TYR 86 N 0.27 -0.24 0.00 5.26 3.20 0.11 -3.52 116.97 122.05 1gqm h TYR 86 Ca 0.03 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1gqm h TYR 86 Cb 0.83 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1gqm h TYR 86 CO 0.02 -0.04 0.00 0.72 -1.64 0.00 0.00 178.16 177.22