#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 0.80 0.26 -0.78 1.57 -2.05 -1.76 116.57 114.60 1gqm h LYS 2 Ca 0.00 -0.47 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1gqm h LYS 2 Cb 0.00 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1gqm h LYS 2 CO 0.00 1.10 -0.23 1.25 -0.57 0.00 0.00 179.45 181.00 1gqm h LEU 3 N 0.56 -0.62 -0.85 2.94 6.46 -2.05 -0.62 115.31 121.13 1gqm h LEU 3 Ca 0.03 0.05 0.19 0.00 -0.12 0.00 0.00 57.88 58.04 1gqm h LEU 3 Cb 1.01 0.21 -0.12 0.00 -0.73 0.00 0.00 40.66 41.04 1gqm h LEU 3 CO 0.10 -0.35 0.35 -0.33 -0.62 0.00 0.00 178.44 177.59 1gqm h GLU 4 N -0.52 0.40 -0.64 1.25 5.08 -2.00 -0.77 114.58 117.38 1gqm h GLU 4 Ca -0.01 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1gqm h GLU 4 Cb 0.47 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1gqm h GLU 4 CO -0.04 0.26 0.14 0.93 -1.00 0.00 0.00 179.01 179.31 1gqm h GLU 5 N 0.41 1.03 -0.60 2.33 5.08 -0.32 0.31 114.58 122.82 1gqm h GLU 5 Ca 0.51 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1gqm h GLU 5 Cb 0.91 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1gqm h GLU 5 CO -0.50 0.94 0.13 0.45 -1.00 0.00 0.00 179.01 179.03 1gqm h HIS 6 N 0.95 0.99 -0.25 4.33 3.86 0.24 0.53 115.15 125.80 1gqm h HIS 6 Ca 0.20 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1gqm h HIS 6 Cb 0.38 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1gqm h HIS 6 CO 0.03 0.83 0.07 -0.07 0.86 0.00 0.00 177.93 179.65 1gqm h LEU 7 N 0.90 0.37 -1.40 2.43 3.38 -0.83 -0.69 115.31 119.47 1gqm h LEU 7 Ca 0.19 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1gqm h LEU 7 Cb 0.35 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1gqm h LEU 7 CO 0.00 0.48 0.47 -0.08 0.09 0.00 0.00 178.44 179.41 1gqm h GLU 8 N 0.24 0.69 -0.36 1.13 4.81 -0.50 0.21 114.58 120.80 1gqm h GLU 8 Ca 0.08 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1gqm h GLU 8 Cb 0.25 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1gqm h GLU 8 CO -0.00 0.46 0.22 0.78 -0.73 0.00 0.00 179.01 179.74 1gqm h GLY 9 N 0.71 0.50 1.22 1.92 0.00 0.12 -0.41 103.07 107.13 1gqm h GLY 9 Ca 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 1gqm h GLY 9 CO -0.11 0.16 0.29 -2.22 0.00 0.00 0.00 176.54 174.66 1gqm h ILE 10 N 0.45 1.23 -0.33 2.60 2.04 0.42 -1.24 117.51 122.67 1gqm h ILE 10 Ca 0.14 -0.70 -0.13 0.00 1.00 0.00 0.00 64.86 65.17 1gqm h ILE 10 Cb -0.02 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1gqm h ILE 10 CO -0.05 0.29 -0.28 0.58 0.00 0.00 0.00 178.15 178.68 1gqm h VAL 11 N 0.99 1.29 -0.89 1.67 2.07 -0.80 -1.65 116.25 118.93 1gqm h VAL 11 Ca 0.23 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.32 1gqm h VAL 11 Cb 0.16 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1gqm h VAL 11 CO -0.02 0.47 0.59 0.78 0.02 0.00 0.00 177.57 179.41 1gqm h ASN 12 N 0.56 1.02 -0.39 0.57 2.35 -0.68 -0.94 115.58 118.06 1gqm h ASN 12 Ca 0.06 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 1gqm h ASN 12 Cb 0.85 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1gqm h ASN 12 CO 0.07 0.73 -0.09 0.40 -1.65 0.00 0.00 177.43 176.89 1gqm h ILE 13 N 1.20 1.28 0.32 2.81 5.03 -0.81 0.22 117.51 127.55 1gqm h ILE 13 Ca 0.33 -1.18 -0.00 0.00 -0.12 0.00 0.00 64.86 63.89 1gqm h ILE 13 Cb -0.13 1.23 -0.02 0.00 -3.03 0.00 0.00 36.82 34.87 1gqm h ILE 13 CO -0.07 0.39 -0.30 0.15 -0.68 0.00 0.00 178.15 177.64 1gqm h PHE 14 N 0.57 -0.81 -0.99 1.37 3.57 -1.05 0.14 116.94 119.73 1gqm h PHE 14 Ca 0.10 0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.81 1gqm h PHE 14 Cb 0.61 0.31 -0.10 0.00 2.79 0.00 0.00 35.95 39.57 1gqm h PHE 14 CO 0.05 -0.44 0.62 1.25 -2.23 0.00 0.00 178.31 177.56 1gqm h HIS 15 N -0.65 0.91 -0.04 0.41 2.76 -0.85 0.18 115.15 117.88 1gqm h HIS 15 Ca -0.02 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1gqm h HIS 15 Cb 0.58 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 1gqm h HIS 15 CO -0.18 0.19 0.05 0.37 -1.30 0.00 0.00 177.93 177.07 1gqm h GLN 16 N 0.64 0.00 0.00 5.26 4.15 0.15 -2.58 115.11 122.73 1gqm h GLN 16 Ca 0.56 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.98 1gqm h GLN 16 Cb 1.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.72 1gqm h GLN 16 CO -0.33 0.00 -1.21 0.66 -1.93 0.00 0.00 178.83 176.02 1gqm n TYR 17 N -3.72 0.00 0.12 3.99 4.01 0.54 -4.52 117.16 117.59 1gqm n TYR 17 Ca -0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.71 1gqm n TYR 17 Cb 0.14 -0.18 0.07 0.00 -0.31 0.00 0.00 39.34 39.05 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 1.20 7.72 4.64 -0.87 -3.30 113.55 122.94 1gqm h SER 18 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gqm h SER 18 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1gqm h SER 18 CO 0.00 0.66 0.00 1.33 -0.87 0.00 0.00 176.83 177.95 1gqm n VAL 19 N -3.42 0.66 -0.30 0.95 0.24 -1.11 -4.17 118.33 111.18 1gqm n VAL 19 Ca 0.00 -0.10 -0.02 0.00 -2.04 0.00 0.00 64.34 62.19 1gqm n VAL 19 Cb 0.74 -0.78 0.11 0.00 -1.47 0.00 0.00 33.84 32.43 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 1.01 -3.64 7.34 3.08 -1.83 -3.45 114.38 116.89 1gqm h ARG 20 Ca 0.00 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 1gqm h ARG 20 Cb 0.60 -0.23 -0.18 0.00 0.08 0.00 0.00 29.97 30.24 1gqm h ARG 20 CO 0.00 0.67 -0.46 0.15 -1.07 0.00 0.00 179.97 179.25 1gqm s LYS 21 N -6.10 0.61 6.05 0.04 1.02 -1.26 -5.11 119.74 115.00 1gqm s LYS 21 Ca -0.13 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.23 1gqm s LYS 21 Cb 0.17 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.73 1gqm s LYS 21 CO 0.79 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.47 1gqm n GLY 22 N 0.87 3.00 3.75 -3.33 0.00 -1.26 -4.60 105.19 103.63 1gqm n GLY 22 Ca -0.20 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1gqm n GLY 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gqm s HIS 23 N 0.00 3.30 0.23 1.61 5.65 -1.26 -4.96 115.29 119.86 1gqm s HIS 23 Ca 0.00 1.44 -0.07 0.00 0.25 0.00 0.00 55.06 56.68 1gqm s HIS 23 Cb 0.00 -3.52 0.21 0.00 -1.18 0.00 0.00 32.58 28.09 1gqm s HIS 23 CO 0.00 -1.42 1.85 0.74 -0.65 0.00 0.00 174.74 175.25 1gqm h PHE 24 N 4.29 1.23 -0.59 3.88 0.04 -1.81 -3.16 116.94 120.82 1gqm h PHE 24 Ca -0.47 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.26 1gqm h PHE 24 Cb 1.22 -0.39 0.00 0.00 2.20 0.00 0.00 35.95 38.98 1gqm h PHE 24 CO 0.59 0.87 0.00 -3.47 -0.60 0.00 0.00 178.31 175.70 1gqm n ASP 25 N -4.32 5.38 -4.21 2.17 2.03 -1.26 -3.13 116.55 113.21 1gqm n ASP 25 Ca 0.09 -2.77 -0.14 0.00 0.52 0.00 0.00 54.79 52.50 1gqm n ASP 25 Cb 0.11 -0.65 -0.10 0.00 -0.72 0.00 0.00 41.12 39.76 1gqm n ASP 25 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1gqm s THR 26 N -2.46 1.01 -0.24 5.18 -4.23 -1.19 -4.33 115.64 109.38 1gqm s THR 26 Ca 0.53 -1.89 -0.10 0.00 -1.18 0.00 0.00 61.69 59.05 1gqm s THR 26 Cb 0.38 -1.65 -0.05 0.00 1.34 0.00 0.00 72.50 72.53 1gqm s THR 26 CO 0.18 -0.70 0.14 -0.76 -0.54 0.00 0.00 174.62 172.95 1gqm s LEU 27 N -2.89 3.99 0.69 4.79 1.43 0.78 -4.54 118.68 122.93 1gqm s LEU 27 Ca 0.12 0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.21 1gqm s LEU 27 Cb 0.01 -2.07 0.06 0.00 0.03 0.00 0.00 46.19 44.22 1gqm s LEU 27 CO -0.01 0.05 0.99 -0.94 0.23 0.00 0.00 176.35 176.67 1gqm s SER 28 N 1.14 4.86 0.17 2.29 1.04 -1.26 0.12 113.70 122.07 1gqm s SER 28 Ca 0.07 0.40 -0.15 0.00 0.48 0.00 0.00 55.95 56.75 1gqm s SER 28 Cb -0.14 -1.08 0.13 0.00 0.10 0.00 0.00 66.02 65.03 1gqm s SER 28 CO 0.05 -1.55 1.72 0.50 0.98 0.00 0.00 173.24 174.94 1gqm h LYS 29 N -0.53 0.19 -0.06 4.02 3.64 -1.99 0.52 116.57 122.36 1gqm h LYS 29 Ca -0.44 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1gqm h LYS 29 Cb 1.31 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1gqm h LYS 29 CO 0.59 0.12 0.03 0.78 -2.27 0.00 0.00 179.45 178.71 1gqm h GLY 30 N 0.19 0.10 1.01 5.01 0.00 -1.97 0.23 103.07 107.64 1gqm h GLY 30 Ca 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1gqm h GLY 30 CO -0.29 0.05 0.51 0.83 0.00 0.00 0.00 176.54 177.64 1gqm h GLU 31 N -0.04 1.16 -0.44 4.80 5.08 -1.66 -1.41 114.58 122.07 1gqm h GLU 31 Ca 0.02 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1gqm h GLU 31 Cb 0.14 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1gqm h GLU 31 CO -0.00 0.82 -0.04 1.25 -1.00 0.00 0.00 179.01 180.04 1gqm h LEU 32 N 1.17 0.72 -0.65 1.33 5.85 0.38 -1.04 115.31 123.08 1gqm h LEU 32 Ca 0.30 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1gqm h LEU 32 Cb -0.04 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 1gqm h LEU 32 CO -0.06 0.81 0.39 0.50 -0.34 0.00 0.00 178.44 179.75 1gqm h LYS 33 N 0.69 0.74 0.02 1.25 3.64 0.15 0.37 116.57 123.43 1gqm h LYS 33 Ca 0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1gqm h LYS 33 Cb 0.48 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1gqm h LYS 33 CO 0.02 0.49 -0.04 1.96 -2.27 0.00 0.00 179.45 179.62 1gqm h GLN 34 N 0.77 -0.08 -0.30 1.90 4.20 -0.53 -2.17 115.11 118.90 1gqm h GLN 34 Ca 0.26 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1gqm h GLN 34 Cb 0.04 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1gqm h GLN 34 CO -0.12 -0.05 0.16 1.25 -0.67 0.00 0.00 178.83 179.40 1gqm h LEU 35 N -0.08 0.39 0.67 1.46 6.46 -0.24 -2.96 115.31 121.01 1gqm h LEU 35 Ca 0.01 -0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.63 1gqm h LEU 35 Cb 0.09 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1gqm h LEU 35 CO -0.02 0.39 -0.35 -0.07 -0.62 0.00 0.00 178.44 177.76 1gqm h LEU 36 N 0.36 -0.86 -2.05 2.25 3.38 -0.16 0.26 115.31 118.51 1gqm h LEU 36 Ca 0.11 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.22 1gqm h LEU 36 Cb 0.09 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1gqm h LEU 36 CO -0.02 -0.58 0.30 0.71 0.09 0.00 0.00 178.44 178.94 1gqm h THR 37 N -0.94 0.68 0.00 0.22 1.35 -1.41 0.31 112.91 113.13 1gqm h THR 37 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1gqm h THR 37 Cb 0.74 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1gqm h THR 37 CO 0.13 0.00 -0.53 1.17 -0.25 0.00 0.00 175.52 176.04 1gqm n LYS 38 N -4.22 3.84 -0.02 4.72 4.81 -1.12 -4.07 118.16 122.10 1gqm n LYS 38 Ca 0.06 -0.01 0.02 0.00 -0.87 0.00 0.00 58.31 57.51 1gqm n LYS 38 Cb 0.48 -0.88 -0.09 0.00 0.02 0.00 0.00 35.03 34.56 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 -1.28 1.00 -0.15 1.64 -0.58 0.08 -4.68 120.64 116.66 1gqm n GLU 39 Ca 0.01 -0.07 0.08 0.00 -0.42 0.00 0.00 57.16 56.75 1gqm n GLU 39 Cb 0.11 -1.28 0.11 0.00 -0.57 0.00 0.00 31.44 29.81 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 -2.08 1.90 -0.39 -4.62 4.77 0.11 -4.75 117.00 111.94 1gqm n LEU 40 Ca -0.08 -2.68 0.31 0.00 -0.03 0.00 0.00 56.01 53.54 1gqm n LEU 40 Cb 0.50 -0.34 0.59 0.00 -2.33 0.00 0.00 43.42 41.83 1gqm n LEU 40 CO 0.24 0.62 1.21 0.00 -1.33 0.00 0.00 177.39 178.13 1gqm h ALA 41 N 0.00 2.48 -0.63 -1.18 0.00 -1.69 -0.22 119.26 118.01 1gqm h ALA 41 Ca 0.00 0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.68 1gqm h ALA 41 Cb 1.07 0.16 -0.20 0.00 0.00 0.00 0.00 17.79 18.81 1gqm h ALA 41 CO 0.00 -1.05 0.21 0.09 0.00 0.00 0.00 179.25 178.50 1gqm n ASN 42 N -4.74 3.24 0.00 0.00 3.02 -1.26 -4.56 115.26 110.95 1gqm n ASN 42 Ca 0.33 -3.73 0.00 0.00 -0.03 0.00 0.00 54.58 51.15 1gqm n ASN 42 Cb 1.22 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 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 -1.11 0.00 -4.77 3.41 -1.04 -0.11 -5.04 114.28 105.62 1gqm n THR 43 Ca 0.45 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 62.13 1gqm n THR 43 Cb 1.25 -0.24 -0.14 0.00 -1.82 0.00 0.00 70.33 69.38 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 -1.47 3.09 0.43 12.58 1.01 -1.13 -4.85 121.20 130.86 1gqm s ILE 44 Ca 0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 60.65 59.74 1gqm s ILE 44 Cb 0.00 -2.29 -0.09 0.00 0.01 0.00 0.00 42.46 40.09 1gqm s ILE 44 CO 0.00 0.53 1.45 1.17 0.00 0.00 0.00 174.94 178.09 1gqm n LYS 45 N 3.41 2.38 -1.76 2.79 4.81 -1.26 -2.66 118.16 125.87 1gqm n LYS 45 Ca -0.18 0.84 -0.15 0.00 -0.87 0.00 0.00 58.31 57.95 1gqm n LYS 45 Cb 0.53 -2.65 -0.05 0.00 0.02 0.00 0.00 35.03 32.88 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 -0.03 -4.20 0.04 3.14 5.03 -1.26 -4.75 115.26 113.23 1gqm n ASN 46 Ca 0.04 0.30 0.03 0.00 0.87 0.00 0.00 54.58 55.81 1gqm n ASN 46 Cb 0.41 -3.74 0.14 0.00 -1.02 0.00 0.00 39.78 35.56 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 -2.52 1.46 0.51 2.41 0.13 -1.09 -0.35 119.36 119.92 1gqm n ILE 47 Ca -0.16 0.57 0.13 0.00 -1.10 0.00 0.00 62.75 62.18 1gqm n ILE 47 Cb 0.54 -1.57 0.37 0.00 -0.84 0.00 0.00 39.64 38.15 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 -6.32 9.51 1.57 -1.88 -3.43 116.57 116.02 1gqm h LYS 48 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1gqm h LYS 48 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1gqm h LYS 48 CO 0.00 0.00 0.56 -0.51 -0.57 0.00 0.00 179.45 178.93 1gqm s ASP 49 N -4.90 7.21 0.28 0.86 1.01 0.53 -4.91 116.67 116.74 1gqm s ASP 49 Ca 0.09 1.67 -0.01 0.00 0.71 0.00 0.00 52.55 55.01 1gqm s ASP 49 Cb 0.10 -2.56 0.63 0.00 1.01 0.00 0.00 42.92 42.10 1gqm s ASP 49 CO 0.59 -0.44 1.62 0.50 0.21 0.00 0.00 175.17 177.65 1gqm h LYS 50 N 7.10 0.12 -0.48 8.23 3.11 -1.88 -0.34 116.57 132.42 1gqm h LYS 50 Ca -0.35 -0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.41 1gqm h LYS 50 Cb 1.17 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.35 1gqm h LYS 50 CO 0.84 0.08 -0.00 0.00 -2.81 0.00 0.00 179.45 177.55 1gqm h ALA 51 N 1.81 1.09 0.29 5.00 0.00 -1.95 -2.51 119.26 122.99 1gqm h ALA 51 Ca 0.52 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1gqm h ALA 51 Cb 1.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1gqm h ALA 51 CO -0.73 0.58 -0.14 0.28 0.00 0.00 0.00 179.25 179.24 1gqm h VAL 52 N 0.75 0.75 -0.88 0.00 2.07 -1.38 -2.48 116.25 115.08 1gqm h VAL 52 Ca 0.14 -0.45 0.20 0.00 0.82 0.00 0.00 66.70 67.42 1gqm h VAL 52 Cb 0.46 0.99 -0.12 0.00 -1.52 0.00 0.00 31.29 31.10 1gqm h VAL 52 CO 0.02 0.09 0.40 0.40 0.02 0.00 0.00 177.57 178.50 1gqm h ILE 53 N -0.63 0.54 -0.05 4.57 2.04 -1.30 -0.82 117.51 121.86 1gqm h ILE 53 Ca -0.04 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1gqm h ILE 53 Cb 0.45 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1gqm h ILE 53 CO 0.07 0.08 0.00 0.44 0.00 0.00 0.00 178.15 178.74 1gqm h ASP 54 N 0.45 0.08 -0.49 1.72 3.32 -1.40 -1.71 116.42 118.39 1gqm h ASP 54 Ca 0.53 -0.30 0.02 0.00 0.02 0.00 0.00 57.03 57.30 1gqm h ASP 54 Cb 0.96 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 1gqm h ASP 54 CO -0.49 0.36 0.31 -0.08 -1.72 0.00 0.00 179.24 177.62 1gqm h GLU 55 N -0.20 0.60 -0.19 3.56 4.81 -0.85 0.37 114.58 122.68 1gqm h GLU 55 Ca 0.01 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1gqm h GLU 55 Cb 0.32 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1gqm h GLU 55 CO 0.00 0.40 -0.03 0.82 -0.73 0.00 0.00 179.01 179.47 1gqm h ILE 56 N 0.62 0.84 -0.19 2.32 2.04 -1.03 -0.77 117.51 121.32 1gqm h ILE 56 Ca 0.19 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 66.08 1gqm h ILE 56 Cb -0.01 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1gqm h ILE 56 CO -0.07 0.01 -0.02 0.15 0.00 0.00 0.00 178.15 178.21 1gqm h PHE 57 N 0.03 -0.06 0.00 1.37 3.57 -0.22 -0.44 116.94 121.19 1gqm h PHE 57 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1gqm h PHE 57 Cb 0.13 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 1gqm h PHE 57 CO -0.19 -0.06 -0.03 1.96 -2.23 0.00 0.00 178.31 177.76 1gqm h GLN 58 N 0.03 0.00 0.01 1.11 1.08 0.35 -1.94 115.11 115.76 1gqm h GLN 58 Ca 0.09 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.14 1gqm h GLN 58 Cb 0.13 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1gqm h GLN 58 CO -0.18 0.03 -0.61 0.78 -0.95 0.00 0.00 178.83 177.90 1gqm h GLY 59 N 0.21 0.44 1.85 3.46 0.00 0.34 -3.30 103.07 106.07 1gqm h GLY 59 Ca -0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 47.33 46.44 1gqm h GLY 59 CO 0.00 0.70 -0.40 1.41 0.00 0.00 0.00 176.54 178.25 1gqm h LEU 60 N -0.14 0.18 -6.00 3.11 3.38 -0.93 -3.34 115.31 111.56 1gqm h LEU 60 Ca -0.08 -0.07 -0.73 0.00 0.09 0.00 0.00 57.88 57.09 1gqm h LEU 60 Cb 1.34 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.96 1gqm h LEU 60 CO 0.12 0.57 2.76 -0.67 0.09 0.00 0.00 178.44 181.31 1gqm n ASP 61 N -4.04 5.28 -0.16 -0.43 2.03 -0.77 -4.73 116.55 113.74 1gqm n ASP 61 Ca -0.01 -2.93 0.19 0.00 0.52 0.00 0.00 54.79 52.55 1gqm n ASP 61 Cb 0.46 -1.55 0.57 0.00 -0.72 0.00 0.00 41.12 39.88 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 5.65 2.31 -0.72 -1.67 0.00 -1.83 -0.89 119.26 122.11 1gqm h ALA 62 Ca 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1gqm h ALA 62 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1gqm h ALA 62 CO 1.75 -0.53 0.00 0.27 0.00 0.00 0.00 179.25 180.73 1gqm n ASN 63 N -4.44 4.21 -3.64 0.00 0.23 -1.26 -4.96 115.26 105.40 1gqm n ASN 63 Ca 0.15 -2.12 -0.27 0.00 -0.53 0.00 0.00 54.58 51.81 1gqm n ASN 63 Cb 0.65 -0.52 -0.01 0.00 -2.08 0.00 0.00 39.78 37.82 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 1.54 -3.42 -0.37 -3.83 1.13 -0.34 -4.80 117.38 107.29 1gqm n GLN 64 Ca 0.25 0.44 0.09 0.00 -1.94 0.00 0.00 57.00 55.84 1gqm n GLN 64 Cb 0.70 -5.16 0.28 0.00 0.11 0.00 0.00 30.24 26.17 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 -2.41 3.52 -0.82 1.08 5.75 -1.26 -4.92 116.55 117.49 1gqm n ASP 65 Ca 0.02 -2.10 -0.11 0.00 -0.01 0.00 0.00 54.79 52.60 1gqm n ASP 65 Cb 0.52 -0.44 -0.05 0.00 -1.03 0.00 0.00 41.12 40.12 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 1.21 -0.80 -4.15 0.11 -0.58 -1.26 -4.99 120.64 110.18 1gqm n GLU 66 Ca 0.21 0.86 -0.16 0.00 -0.42 0.00 0.00 57.16 57.65 1gqm n GLU 66 Cb 0.59 -4.83 -0.12 0.00 -0.57 0.00 0.00 31.44 26.51 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 -2.85 0.76 -0.26 3.49 -1.52 -1.26 -4.45 119.66 113.58 1gqm s GLN 67 Ca 0.00 -0.96 -0.04 0.00 -1.95 0.00 0.00 55.36 52.40 1gqm s GLN 67 Cb 0.00 -0.64 0.01 0.00 -0.22 0.00 0.00 33.01 32.16 1gqm s GLN 67 CO 0.00 0.13 -0.00 0.08 -0.25 0.00 0.00 175.29 175.24 1gqm s VAL 68 N -1.59 3.42 0.60 1.09 1.01 0.33 -4.65 120.40 120.61 1gqm s VAL 68 Ca -0.02 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1gqm s VAL 68 Cb -0.08 -2.69 0.05 0.00 0.00 0.00 0.00 36.38 33.65 1gqm s VAL 68 CO 0.01 0.23 0.84 1.51 0.00 0.00 0.00 175.10 177.69 1gqm s ASP 69 N 1.44 5.10 0.20 3.32 1.47 -1.26 -0.15 116.67 126.78 1gqm s ASP 69 Ca 0.03 0.05 -0.11 0.00 1.18 0.00 0.00 52.55 53.70 1gqm s ASP 69 Cb -0.16 -0.84 0.19 0.00 -0.34 0.00 0.00 42.92 41.77 1gqm s ASP 69 CO -0.02 -1.30 1.83 0.15 0.68 0.00 0.00 175.17 176.51 1gqm h PHE 70 N -0.12 0.73 -0.24 2.11 3.57 -1.99 0.52 116.94 121.53 1gqm h PHE 70 Ca -0.42 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.15 1gqm h PHE 70 Cb 1.30 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 1gqm h PHE 70 CO 0.31 0.40 -0.04 0.37 -2.23 0.00 0.00 178.31 177.12 1gqm h GLN 71 N 0.76 0.02 -0.99 1.11 4.15 -1.96 0.44 115.11 118.64 1gqm h GLN 71 Ca 0.27 -0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.73 1gqm h GLN 71 Cb 0.07 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.69 1gqm h GLN 71 CO -0.13 0.01 0.65 0.93 -1.93 0.00 0.00 178.83 178.37 1gqm h GLU 72 N 0.02 1.21 -0.75 1.69 5.08 -1.43 -2.43 114.58 117.97 1gqm h GLU 72 Ca 0.11 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1gqm h GLU 72 Cb 0.16 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 1gqm h GLU 72 CO -0.23 0.80 0.49 0.35 -1.00 0.00 0.00 179.01 179.42 1gqm h PHE 73 N 1.24 0.83 -0.95 4.33 3.04 0.45 -2.46 116.94 123.43 1gqm h PHE 73 Ca 0.40 0.02 0.21 0.00 3.98 0.00 0.00 57.97 62.58 1gqm h PHE 73 Cb 0.02 -0.27 -0.11 0.00 2.56 0.00 0.00 35.95 38.14 1gqm h PHE 73 CO -0.00 0.46 0.52 0.82 -2.02 0.00 0.00 178.31 178.08 1gqm h ILE 74 N 0.84 0.60 -0.95 1.41 2.04 -0.66 1.23 117.51 122.02 1gqm h ILE 74 Ca 0.31 -0.20 0.16 0.00 1.00 0.00 0.00 64.86 66.13 1gqm h ILE 74 Cb 0.17 -0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.13 1gqm h ILE 74 CO -0.10 0.11 0.60 0.28 0.00 0.00 0.00 178.15 179.04 1gqm h SER 75 N 0.60 0.71 -0.21 1.72 0.02 -1.60 0.75 113.55 115.53 1gqm h SER 75 Ca 0.57 0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 61.46 1gqm h SER 75 Cb 0.99 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 1gqm h SER 75 CO -0.44 0.32 -0.27 0.25 -1.14 0.00 0.00 176.83 175.55 1gqm h LEU 76 N 0.73 0.71 -0.80 5.07 5.85 0.14 -2.06 115.31 124.95 1gqm h LEU 76 Ca 0.50 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 1gqm h LEU 76 Cb 0.80 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1gqm h LEU 76 CO -0.26 0.95 0.11 0.58 -0.34 0.00 0.00 178.44 179.47 1gqm h VAL 77 N 0.60 1.25 -0.59 1.05 2.07 0.11 -0.97 116.25 119.78 1gqm h VAL 77 Ca 0.08 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.53 1gqm h VAL 77 Cb 0.76 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1gqm h VAL 77 CO 0.06 0.37 0.03 0.00 0.02 0.00 0.00 177.57 178.04 1gqm h ALA 78 N 1.16 0.92 0.38 1.67 0.00 -0.32 0.42 119.26 123.49 1gqm h ALA 78 Ca 0.19 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1gqm h ALA 78 Cb 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1gqm h ALA 78 CO 0.01 0.65 -0.18 0.82 0.00 0.00 0.00 179.25 180.55 1gqm h ILE 79 N 0.94 0.63 -0.52 0.00 2.04 -0.68 -1.69 117.51 118.23 1gqm h ILE 79 Ca 0.17 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.98 1gqm h ILE 79 Cb 0.51 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1gqm h ILE 79 CO 0.02 0.02 0.23 0.00 0.00 0.00 0.00 178.15 178.42 1gqm h ALA 80 N 0.03 0.65 -0.80 1.87 0.00 -0.86 -1.61 119.26 118.55 1gqm h ALA 80 Ca -0.05 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1gqm h ALA 80 Cb 0.43 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 1gqm h ALA 80 CO 0.09 -0.15 0.43 -0.07 0.00 0.00 0.00 179.25 179.55 1gqm h LEU 81 N 0.44 0.58 0.15 0.00 3.38 -0.81 0.23 115.31 119.26 1gqm h LEU 81 Ca 0.24 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1gqm h LEU 81 Cb 0.21 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1gqm h LEU 81 CO -0.21 0.31 -0.10 0.50 0.09 0.00 0.00 178.44 179.04 1gqm h LYS 82 N 0.70 -0.24 -0.21 1.13 3.64 -0.35 -1.69 116.57 119.56 1gqm h LYS 82 Ca 0.40 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.72 1gqm h LYS 82 Cb 0.43 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1gqm h LYS 82 CO -0.28 -0.16 -0.19 0.00 -2.27 0.00 0.00 179.45 176.55 1gqm h ALA 83 N 0.60 1.30 -0.27 5.00 0.00 -0.80 -1.91 119.26 123.19 1gqm h ALA 83 Ca -0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1gqm h ALA 83 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1gqm h ALA 83 CO 0.00 0.47 -0.26 0.00 0.00 0.00 0.00 179.25 179.46 1gqm h ALA 84 N 1.48 1.06 0.00 0.00 0.00 -0.24 -1.86 119.26 119.70 1gqm h ALA 84 Ca 0.06 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1gqm h ALA 84 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1gqm h ALA 84 CO 0.03 0.57 -0.50 1.25 0.00 0.00 0.00 179.25 180.61 1gqm h HIS 85 N 0.45 0.00 0.00 0.00 6.17 -0.58 -3.07 115.15 118.12 1gqm h HIS 85 Ca 0.06 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.11 1gqm h HIS 85 Cb 0.69 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.61 1gqm h HIS 85 CO 0.02 0.50 -0.14 -0.92 0.71 0.00 0.00 177.93 178.10 1gqm h TYR 86 N 0.00 0.00 0.00 5.26 3.20 -0.61 -3.52 116.97 121.30 1gqm h TYR 86 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1gqm h TYR 86 Cb 0.96 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.23 1gqm h TYR 86 CO 0.00 0.14 0.00 0.72 -1.64 0.00 0.00 178.16 177.38