#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nqb n ARG 23 N 0.00 -1.04 -3.77 1.47 1.74 -1.26 -5.15 116.66 108.64 2nqb n ARG 23 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2nqb n ARG 23 Cb 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.32 2nqb n ARG 23 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2nqb s ASP 24 N 0.00 -0.27 0.14 0.55 1.01 -1.26 -5.10 116.67 111.74 2nqb s ASP 24 Ca 0.00 0.53 -0.22 0.00 0.71 0.00 0.00 52.55 53.57 2nqb s ASP 24 Cb 0.00 0.51 -0.01 0.00 1.01 0.00 0.00 42.92 44.44 2nqb s ASP 24 CO 0.00 -0.10 1.67 0.78 0.21 0.00 0.00 175.17 177.73 2nqb h ASN 25 N 5.97 -0.46 0.03 0.27 2.35 -2.01 -1.97 115.58 119.76 2nqb h ASN 25 Ca -0.28 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 2nqb h ASN 25 Cb 1.19 0.23 -0.00 0.00 0.05 0.00 0.00 38.32 39.79 2nqb h ASN 25 CO 0.35 -0.19 -0.02 -0.29 -1.65 0.00 0.00 177.43 175.63 2nqb h ILE 26 N -0.16 0.82 0.00 2.81 6.09 -1.99 0.39 117.51 125.48 2nqb h ILE 26 Ca 0.11 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.52 2nqb h ILE 26 Cb 0.32 1.04 0.00 0.00 0.47 0.00 0.00 36.82 38.65 2nqb h ILE 26 CO -0.27 0.02 0.00 0.00 -3.07 0.00 0.00 178.15 174.83 2nqb n GLN 27 N -4.23 0.27 0.24 2.19 1.13 -0.75 -2.07 117.38 114.16 2nqb n GLN 27 Ca -0.03 0.09 0.11 0.00 -1.94 0.00 0.00 57.00 55.23 2nqb n GLN 27 Cb 0.11 -1.50 0.55 0.00 0.11 0.00 0.00 30.24 29.51 2nqb n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2nqb h GLY 28 N 3.52 0.00 -7.27 1.08 0.00 -0.09 -3.35 103.07 96.97 2nqb h GLY 28 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 2nqb h GLY 28 CO 0.00 0.00 1.14 -0.42 0.00 0.00 0.00 176.54 177.26 2nqb s ILE 29 N -3.79 3.90 0.62 2.60 -1.09 -0.88 -4.96 121.20 117.60 2nqb s ILE 29 Ca -0.00 -0.17 -0.14 0.00 -2.23 0.00 0.00 60.65 58.11 2nqb s ILE 29 Cb 0.11 -4.94 -0.02 0.00 -1.58 0.00 0.00 42.46 36.03 2nqb s ILE 29 CO 0.61 -1.83 1.05 0.42 -1.23 0.00 0.00 174.94 173.96 2nqb s THR 30 N 5.15 4.04 0.23 2.92 -4.23 -1.26 -4.87 115.64 117.62 2nqb s THR 30 Ca 0.37 0.83 -0.08 0.00 -1.18 0.00 0.00 61.69 61.63 2nqb s THR 30 Cb -0.06 -3.46 0.21 0.00 1.34 0.00 0.00 72.50 70.53 2nqb s THR 30 CO 0.05 -0.70 1.68 0.50 -0.54 0.00 0.00 174.62 175.60 2nqb h LYS 31 N 0.00 0.21 -0.44 3.99 3.64 -1.93 -0.10 116.57 121.95 2nqb h LYS 31 Ca -0.45 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.88 2nqb h LYS 31 Cb 1.21 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 2nqb h LYS 31 CO 0.58 0.14 0.12 -1.35 -2.27 0.00 0.00 179.45 176.66 2nqb h PRO 32 N 0.22 0.65 -0.44 1.90 0.11 -1.99 0.49 132.00 132.94 2nqb h PRO 32 Ca 0.36 -0.11 -0.14 0.00 0.11 0.00 0.00 66.00 66.22 2nqb h PRO 32 Cb 0.59 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 2nqb h PRO 32 CO -0.49 0.59 -0.25 0.00 -0.21 0.00 0.00 178.00 177.63 2nqb h ALA 33 N 1.49 0.71 -0.51 -0.75 0.00 -1.46 -0.67 119.26 118.07 2nqb h ALA 33 Ca 0.15 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 2nqb h ALA 33 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2nqb h ALA 33 CO -0.00 0.67 -0.04 0.82 0.00 0.00 0.00 179.25 180.69 2nqb h ILE 34 N 0.80 1.27 -0.68 0.00 2.04 -0.67 -2.10 117.51 118.17 2nqb h ILE 34 Ca 0.10 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.80 2nqb h ILE 34 Cb 0.82 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2nqb h ILE 34 CO 0.07 0.41 0.43 -0.09 0.00 0.00 0.00 178.15 178.97 2nqb h ARG 35 N 0.80 0.90 -0.62 2.37 2.43 -0.69 -1.39 114.38 118.19 2nqb h ARG 35 Ca 0.14 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2nqb h ARG 35 Cb 0.58 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2nqb h ARG 35 CO 0.04 0.62 0.41 0.00 -1.51 0.00 0.00 179.97 179.52 2nqb h ARG 36 N 0.92 0.80 -0.34 0.20 3.08 -0.83 0.15 114.38 118.36 2nqb h ARG 36 Ca 0.24 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2nqb h ARG 36 Cb -0.07 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 2nqb h ARG 36 CO -0.05 0.53 0.22 -0.07 -1.07 0.00 0.00 179.97 179.53 2nqb h LEU 37 N 0.82 0.39 -0.96 3.04 3.38 -0.82 -1.20 115.31 119.96 2nqb h LEU 37 Ca 0.23 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.21 2nqb h LEU 37 Cb -0.07 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 2nqb h LEU 37 CO -0.06 0.29 0.63 0.00 0.09 0.00 0.00 178.44 179.39 2nqb h ALA 38 N 1.11 1.25 -0.17 1.53 0.00 -0.92 -0.72 119.26 121.34 2nqb h ALA 38 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2nqb h ALA 38 Cb -0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 2nqb h ALA 38 CO -0.03 0.56 0.11 0.00 0.00 0.00 0.00 179.25 179.89 2nqb h ARG 39 N 1.26 0.23 0.00 0.00 2.47 -0.36 0.12 114.38 118.09 2nqb h ARG 39 Ca 0.37 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 59.06 2nqb h ARG 39 Cb -0.07 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.20 2nqb h ARG 39 CO -0.10 0.18 -0.04 -0.09 0.56 0.00 0.00 179.97 180.48 2nqb h ARG 40 N 0.21 0.00 -0.09 0.04 2.43 -0.72 0.26 114.38 116.51 2nqb h ARG 40 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2nqb h ARG 40 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2nqb h ARG 40 CO -0.01 0.04 0.00 0.41 -1.51 0.00 0.00 179.97 178.89 2nqb n GLY 41 N -1.09 -0.32 2.01 2.80 0.00 0.22 -4.91 105.19 103.89 2nqb n GLY 41 Ca -0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 46.02 45.73 2nqb n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nqb n GLY 42 N 0.95 0.46 3.73 -0.02 0.00 0.91 -5.03 105.19 106.19 2nqb n GLY 42 Ca 0.14 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 2nqb n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nqb s VAL 43 N -2.00 4.82 -0.22 1.61 1.01 -0.12 -4.99 120.40 120.51 2nqb s VAL 43 Ca 0.00 1.68 0.01 0.00 0.00 0.00 0.00 61.98 63.67 2nqb s VAL 43 Cb 0.00 -4.14 -0.19 0.00 0.00 0.00 0.00 36.38 32.04 2nqb s VAL 43 CO 0.00 0.30 -0.08 1.17 0.00 0.00 0.00 175.10 176.49 2nqb n LYS 44 N 3.25 0.68 -4.81 2.72 4.81 -1.26 -4.35 118.16 119.20 2nqb n LYS 44 Ca -0.00 0.17 -0.26 0.00 -0.87 0.00 0.00 58.31 57.35 2nqb n LYS 44 Cb 0.51 -1.57 -0.16 0.00 0.02 0.00 0.00 35.03 33.83 2nqb n LYS 44 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2nqb s ARG 45 N -2.53 1.76 -0.09 1.64 1.81 -1.26 -5.13 118.95 115.15 2nqb s ARG 45 Ca -0.31 -0.59 0.03 0.00 -1.72 0.00 0.00 55.73 53.13 2nqb s ARG 45 Cb 0.08 -1.53 0.01 0.00 -0.45 0.00 0.00 34.95 33.06 2nqb s ARG 45 CO 0.65 0.23 -0.16 0.42 -0.68 0.00 0.00 175.30 175.75 2nqb s ILE 46 N 0.07 1.51 0.48 1.52 1.01 -1.26 -5.13 121.20 119.39 2nqb s ILE 46 Ca -0.04 -0.68 -0.19 0.00 0.00 0.00 0.00 60.65 59.74 2nqb s ILE 46 Cb -0.12 -1.35 -0.09 0.00 0.01 0.00 0.00 42.46 40.91 2nqb s ILE 46 CO 0.02 0.44 0.98 -0.94 0.00 0.00 0.00 174.94 175.44 2nqb s SER 47 N 0.69 6.68 0.52 3.58 1.04 -1.26 -4.95 113.70 120.01 2nqb s SER 47 Ca -0.13 1.67 0.20 0.00 0.48 0.00 0.00 55.95 58.17 2nqb s SER 47 Cb -0.16 -2.53 1.32 0.00 0.10 0.00 0.00 66.02 64.75 2nqb s SER 47 CO 0.03 -0.54 2.08 1.23 0.98 0.00 0.00 173.24 177.02 2nqb h GLY 48 N 1.37 0.01 2.00 7.32 0.00 -2.05 -2.01 103.07 109.70 2nqb h GLY 48 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2nqb h GLY 48 CO 0.61 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.19 2nqb n LEU 49 N -4.47 0.17 -0.23 3.11 4.77 -1.26 -3.60 117.00 115.49 2nqb n LEU 49 Ca 0.03 0.53 -0.06 0.00 -0.03 0.00 0.00 56.01 56.47 2nqb n LEU 49 Cb 0.31 -0.49 0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2nqb n LEU 49 CO 0.35 -0.19 1.10 0.40 -1.33 0.00 0.00 177.39 177.72 2nqb h ILE 50 N 0.00 1.19 -0.47 -0.08 1.08 -1.75 -2.89 117.51 114.58 2nqb h ILE 50 Ca 0.00 -0.42 0.09 0.00 -0.39 0.00 0.00 64.86 64.13 2nqb h ILE 50 Cb 0.41 0.32 -0.07 0.00 -3.07 0.00 0.00 36.82 34.40 2nqb h ILE 50 CO 0.00 0.20 0.05 1.88 -0.69 0.00 0.00 178.15 179.59 2nqb h TYR 51 N 0.86 0.07 -0.07 1.37 0.05 -1.77 0.30 116.97 117.79 2nqb h TYR 51 Ca 0.23 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.89 2nqb h TYR 51 Cb -0.02 0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2nqb h TYR 51 CO -0.02 -0.05 -0.64 0.93 -1.05 0.00 0.00 178.16 177.34 2nqb h GLU 52 N 0.18 0.25 -0.50 4.88 4.39 -1.80 -2.13 114.58 119.84 2nqb h GLU 52 Ca 0.24 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 2nqb h GLU 52 Cb 0.33 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 2nqb h GLU 52 CO -0.35 0.80 0.07 1.49 -1.16 0.00 0.00 179.01 179.87 2nqb h GLU 53 N 0.18 0.84 -0.37 2.33 4.57 -1.11 -2.44 114.58 118.59 2nqb h GLU 53 Ca -0.01 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 57.91 2nqb h GLU 53 Cb 1.16 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.64 2nqb h GLU 53 CO 0.10 0.84 0.12 1.15 -1.18 0.00 0.00 179.01 180.04 2nqb h THR 54 N 0.72 1.21 -0.76 0.32 2.02 -0.32 -1.76 112.91 114.33 2nqb h THR 54 Ca 0.15 -0.66 0.04 0.00 0.77 0.00 0.00 66.41 66.71 2nqb h THR 54 Cb 0.41 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 2nqb h THR 54 CO 0.01 0.23 0.48 0.03 0.37 0.00 0.00 175.52 176.64 2nqb h ARG 55 N 0.45 0.89 -0.58 6.66 3.08 -1.31 0.29 114.38 123.86 2nqb h ARG 55 Ca 0.12 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 2nqb h ARG 55 Cb 0.24 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2nqb h ARG 55 CO -0.01 0.59 0.11 0.78 -1.07 0.00 0.00 179.97 180.37 2nqb h GLY 56 N 0.91 0.98 0.96 0.04 0.00 -1.20 0.58 103.07 105.34 2nqb h GLY 56 Ca 0.31 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 2nqb h GLY 56 CO -0.13 0.57 -0.18 -2.08 0.00 0.00 0.00 176.54 174.72 2nqb h VAL 57 N 0.87 1.29 -0.65 4.60 2.07 -0.37 -2.23 116.25 121.83 2nqb h VAL 57 Ca 0.18 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 2nqb h VAL 57 Cb 0.36 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2nqb h VAL 57 CO 0.01 0.42 0.15 0.25 0.02 0.00 0.00 177.57 178.42 2nqb h LEU 58 N 0.48 0.97 -0.61 2.57 5.85 -0.13 -1.63 115.31 122.81 2nqb h LEU 58 Ca 0.07 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2nqb h LEU 58 Cb 0.72 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2nqb h LEU 58 CO 0.05 0.94 0.34 0.50 -0.34 0.00 0.00 178.44 179.93 2nqb h LYS 59 N 0.98 0.84 -0.49 1.25 3.64 -0.76 -0.75 116.57 121.27 2nqb h LYS 59 Ca 0.21 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2nqb h LYS 59 Cb 0.35 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2nqb h LYS 59 CO 0.00 0.63 0.09 0.28 -2.27 0.00 0.00 179.45 178.18 2nqb h VAL 60 N 0.82 1.25 -0.17 2.00 2.07 -1.12 -0.42 116.25 120.67 2nqb h VAL 60 Ca 0.21 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.85 2nqb h VAL 60 Cb 0.02 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2nqb h VAL 60 CO -0.04 0.32 0.07 0.15 0.02 0.00 0.00 177.57 178.10 2nqb h PHE 61 N 0.69 0.14 -0.43 1.57 3.57 -0.99 -2.09 116.94 119.39 2nqb h PHE 61 Ca 0.15 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 2nqb h PHE 61 Cb 0.37 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2nqb h PHE 61 CO 0.03 0.08 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.07 2nqb h LEU 62 N 0.17 0.79 -0.35 0.59 3.38 -1.00 -2.32 115.31 116.56 2nqb h LEU 62 Ca 0.07 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.77 2nqb h LEU 62 Cb 0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 2nqb h LEU 62 CO -0.06 0.93 0.03 -0.33 0.09 0.00 0.00 178.44 179.10 2nqb h GLU 63 N 0.63 0.13 -0.61 1.13 5.08 -0.95 0.26 114.58 120.25 2nqb h GLU 63 Ca 0.12 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2nqb h GLU 63 Cb 0.55 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2nqb h GLU 63 CO 0.03 0.09 0.34 -0.91 -1.00 0.00 0.00 179.01 177.56 2nqb h ASN 64 N 0.14 0.76 -0.07 1.42 2.35 -1.25 0.23 115.58 119.16 2nqb h ASN 64 Ca 0.17 -0.09 -0.17 0.00 -0.55 0.00 0.00 56.30 55.66 2nqb h ASN 64 Cb 0.22 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.41 2nqb h ASN 64 CO -0.26 0.62 -0.64 0.58 -1.65 0.00 0.00 177.43 176.09 2nqb h VAL 65 N 0.83 1.36 -0.66 2.81 2.07 -1.11 -3.09 116.25 118.46 2nqb h VAL 65 Ca 0.22 -1.97 -0.08 0.00 0.82 0.00 0.00 66.70 65.68 2nqb h VAL 65 Cb 0.03 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2nqb h VAL 65 CO -0.04 0.59 0.08 0.40 0.02 0.00 0.00 177.57 178.63 2nqb h ILE 66 N 0.16 1.27 -0.28 4.57 2.04 -0.44 0.16 117.51 124.99 2nqb h ILE 66 Ca -0.06 -1.08 0.05 0.00 1.00 0.00 0.00 64.86 64.77 2nqb h ILE 66 Cb 1.30 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 2nqb h ILE 66 CO 0.13 0.40 -0.01 -0.09 0.00 0.00 0.00 178.15 178.58 2nqb h ARG 67 N 1.02 0.06 -0.53 2.37 2.43 -1.02 0.27 114.38 118.99 2nqb h ARG 67 Ca 0.20 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 2nqb h ARG 67 Cb 0.48 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2nqb h ARG 67 CO 0.02 0.04 0.01 -0.44 -1.51 0.00 0.00 179.97 178.08 2nqb h ASP 68 N 0.06 0.91 -0.34 -3.80 5.19 -1.37 -1.34 116.42 115.73 2nqb h ASP 68 Ca 0.13 -0.30 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 2nqb h ASP 68 Cb 0.18 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 2nqb h ASP 68 CO -0.23 0.99 0.23 0.00 -3.12 0.00 0.00 179.24 177.10 2nqb h ALA 69 N 0.95 0.43 -0.41 3.45 0.00 -0.03 -1.95 119.26 121.71 2nqb h ALA 69 Ca 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2nqb h ALA 69 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2nqb h ALA 69 CO 0.03 -0.10 0.03 0.28 0.00 0.00 0.00 179.25 179.49 2nqb h VAL 70 N 0.46 1.21 -0.39 0.00 2.07 -0.40 -1.27 116.25 117.94 2nqb h VAL 70 Ca 0.13 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 2nqb h VAL 70 Cb -0.05 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2nqb h VAL 70 CO -0.03 0.29 0.04 0.74 0.02 0.00 0.00 177.57 178.63 2nqb h THR 71 N 0.61 1.20 -0.16 2.57 2.02 -0.73 0.14 112.91 118.57 2nqb h THR 71 Ca 0.13 -0.77 -0.17 0.00 0.77 0.00 0.00 66.41 66.37 2nqb h THR 71 Cb 0.34 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2nqb h THR 71 CO 0.01 0.27 -0.61 1.88 0.37 0.00 0.00 175.52 177.44 2nqb h TYR 72 N 0.57 0.68 0.66 3.16 -1.99 -0.64 -2.01 116.97 117.41 2nqb h TYR 72 Ca 0.13 -0.26 -0.03 0.00 2.00 0.00 0.00 58.73 60.56 2nqb h TYR 72 Cb 0.31 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.92 2nqb h TYR 72 CO 0.01 1.00 -0.34 1.15 -0.00 0.00 0.00 178.16 179.99 2nqb h THR 73 N 0.40 0.31 -0.81 -2.88 2.02 -0.34 -2.17 112.91 109.43 2nqb h THR 73 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 2nqb h THR 73 Cb 1.17 0.31 -0.07 0.00 -1.74 0.00 0.00 68.15 67.82 2nqb h THR 73 CO 0.11 0.00 0.47 -0.33 0.37 0.00 0.00 175.52 176.15 2nqb h GLU 74 N -0.91 0.79 -0.53 6.66 5.08 -1.02 -0.59 114.58 124.06 2nqb h GLU 74 Ca -0.09 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2nqb h GLU 74 Cb 0.71 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2nqb h GLU 74 CO 0.13 0.53 0.35 1.25 -1.00 0.00 0.00 179.01 180.27 2nqb h HIS 75 N 0.82 0.62 -0.21 4.33 2.76 -1.14 0.87 115.15 123.19 2nqb h HIS 75 Ca 0.38 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 2nqb h HIS 75 Cb 0.30 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.05 2nqb h HIS 75 CO -0.06 0.37 0.00 0.00 -1.30 0.00 0.00 177.93 176.95 2nqb n ALA 76 N -2.47 2.49 -3.63 5.26 0.00 -0.28 -4.91 120.51 116.97 2nqb n ALA 76 Ca 0.06 -0.44 -0.26 0.00 0.00 0.00 0.00 53.44 52.80 2nqb n ALA 76 Cb 0.10 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.57 2nqb n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2nqb n LYS 77 N 0.18 -7.02 -3.90 0.00 5.02 0.30 -5.00 118.16 107.74 2nqb n LYS 77 Ca 0.11 0.77 -0.23 0.00 -2.02 0.00 0.00 58.31 56.94 2nqb n LYS 77 Cb 0.23 -5.76 -0.05 0.00 -0.02 0.00 0.00 35.03 29.42 2nqb n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2nqb s ARG 78 N -6.35 2.37 0.00 1.97 0.52 -0.97 -5.02 118.95 111.48 2nqb s ARG 78 Ca 0.58 -1.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 2nqb s ARG 78 Cb -0.27 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.03 2nqb s ARG 78 CO 0.72 -0.12 0.68 1.63 0.02 0.00 0.00 175.30 178.24 2nqb n LYS 79 N -1.35 0.57 -4.60 3.54 5.02 -1.26 -4.48 118.16 115.59 2nqb n LYS 79 Ca 0.00 -0.87 -0.32 0.00 -2.02 0.00 0.00 58.31 55.10 2nqb n LYS 79 Cb 0.63 -0.98 -0.16 0.00 -0.02 0.00 0.00 35.03 34.49 2nqb n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2nqb s THR 80 N -0.38 1.99 -0.29 -0.18 2.01 -1.26 -5.10 115.64 112.43 2nqb s THR 80 Ca 0.00 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 60.78 2nqb s THR 80 Cb 0.00 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.75 2nqb s THR 80 CO 0.00 0.54 1.16 -0.69 -0.69 0.00 0.00 174.62 174.94 2nqb s VAL 81 N 0.87 4.38 0.52 3.82 1.01 -1.26 -4.94 120.40 124.80 2nqb s VAL 81 Ca -0.06 1.60 -0.02 0.00 0.00 0.00 0.00 61.98 63.50 2nqb s VAL 81 Cb -0.15 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.95 2nqb s VAL 81 CO -0.03 -0.42 0.78 0.42 0.00 0.00 0.00 175.10 175.85 2nqb s THR 82 N 3.82 3.79 0.26 3.92 -4.23 -1.26 -4.98 115.64 116.95 2nqb s THR 82 Ca 0.50 -0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.69 2nqb s THR 82 Cb -0.15 -3.45 0.22 0.00 1.34 0.00 0.00 72.50 70.46 2nqb s THR 82 CO 0.17 -0.38 1.89 0.00 -0.54 0.00 0.00 174.62 175.75 2nqb h ALA 83 N 0.12 1.25 -0.68 3.99 0.00 -1.96 -2.01 119.26 119.98 2nqb h ALA 83 Ca -0.46 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 2nqb h ALA 83 Cb 1.26 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2nqb h ALA 83 CO 0.59 0.61 0.29 0.52 0.00 0.00 0.00 179.25 181.26 2nqb h MET 84 N 1.15 0.98 -0.69 0.00 2.86 -1.94 0.16 114.93 117.44 2nqb h MET 84 Ca 0.29 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.82 2nqb h MET 84 Cb 0.02 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.46 2nqb h MET 84 CO -0.05 0.78 0.43 -0.44 1.06 0.00 0.00 176.91 178.69 2nqb h ASP 85 N 0.97 0.69 -0.29 1.22 3.32 -1.72 0.22 116.42 120.83 2nqb h ASP 85 Ca 0.23 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 2nqb h ASP 85 Cb 0.15 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2nqb h ASP 85 CO -0.02 0.47 -0.02 0.58 -1.72 0.00 0.00 179.24 178.53 2nqb h VAL 86 N 0.83 1.27 -0.57 -1.35 2.07 -0.96 -1.56 116.25 115.98 2nqb h VAL 86 Ca 0.28 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.82 2nqb h VAL 86 Cb 0.05 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2nqb h VAL 86 CO -0.12 0.32 0.37 0.58 0.02 0.00 0.00 177.57 178.74 2nqb h VAL 87 N 0.31 1.13 -0.47 2.57 2.07 -0.31 0.88 116.25 122.43 2nqb h VAL 87 Ca 0.08 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 2nqb h VAL 87 Cb 0.47 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2nqb h VAL 87 CO 0.02 0.14 -0.09 1.88 0.02 0.00 0.00 177.57 179.54 2nqb h TYR 88 N 0.75 0.92 -0.47 1.57 0.99 -0.51 -0.90 116.97 119.32 2nqb h TYR 88 Ca 0.21 -0.16 -0.13 0.00 2.00 0.00 0.00 58.73 60.65 2nqb h TYR 88 Cb -0.06 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 37.42 2nqb h TYR 88 CO -0.04 0.88 -0.21 0.00 -0.00 0.00 0.00 178.16 178.79 2nqb h ALA 89 N 1.14 0.73 -0.40 3.88 0.00 -0.75 -2.12 119.26 121.72 2nqb h ALA 89 Ca 0.13 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 2nqb h ALA 89 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2nqb h ALA 89 CO 0.04 0.67 -0.26 -0.07 0.00 0.00 0.00 179.25 179.63 2nqb h LEU 90 N 0.83 0.86 -0.59 0.00 3.38 -0.66 -2.27 115.31 116.87 2nqb h LEU 90 Ca 0.11 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2nqb h LEU 90 Cb 0.78 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2nqb h LEU 90 CO 0.07 1.07 0.20 0.50 0.09 0.00 0.00 178.44 180.36 2nqb h LYS 91 N 0.72 0.91 0.00 1.13 3.64 -0.98 0.78 116.57 122.77 2nqb h LYS 91 Ca 0.09 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2nqb h LYS 91 Cb 0.79 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2nqb h LYS 91 CO 0.07 0.81 0.00 0.07 -2.27 0.00 0.00 179.45 178.12 2nqb h ARG 92 N 0.83 0.00 -0.07 1.90 0.11 -1.30 -1.65 114.38 114.20 2nqb h ARG 92 Ca 0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 2nqb h ARG 92 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 2nqb h ARG 92 CO -0.01 0.00 0.00 1.04 0.10 0.00 0.00 179.97 181.10 2nqb n GLN 93 N -2.56 1.58 -1.25 0.08 1.13 -0.86 -4.90 117.38 110.60 2nqb n GLN 93 Ca 0.03 -0.86 -0.03 0.00 -1.94 0.00 0.00 57.00 54.20 2nqb n GLN 93 Cb 0.37 -1.44 -0.01 0.00 0.11 0.00 0.00 30.24 29.28 2nqb n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nqb n GLY 94 N 1.11 0.56 2.64 1.08 0.00 -0.62 -4.97 105.19 104.99 2nqb n GLY 94 Ca 0.18 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 2nqb n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nqb n ARG 95 N -2.64 3.39 -1.62 1.61 5.12 0.27 -4.99 116.66 117.80 2nqb n ARG 95 Ca -0.03 -4.51 -0.59 0.00 -1.93 0.00 0.00 57.85 50.79 2nqb n ARG 95 Cb 0.17 -2.26 -0.08 0.00 -1.16 0.00 0.00 32.46 29.14 2nqb n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2nqb n THR 96 N -0.42 0.07 -4.55 0.55 -1.04 -1.24 -4.39 114.28 103.26 2nqb n THR 96 Ca 0.39 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 62.06 2nqb n THR 96 Cb 0.54 -0.60 -0.16 0.00 -1.82 0.00 0.00 70.33 68.30 2nqb n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2nqb s LEU 97 N 1.51 2.28 0.06 -4.42 2.96 -1.26 -5.00 118.68 114.80 2nqb s LEU 97 Ca 0.94 -0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 54.26 2nqb s LEU 97 Cb -1.19 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 43.96 2nqb s LEU 97 CO 0.61 0.07 0.27 -0.31 -1.32 0.00 0.00 176.35 175.67 2nqb s TYR 98 N 0.87 3.53 0.00 5.38 2.02 -1.26 -4.60 117.35 123.29 2nqb s TYR 98 Ca -0.05 0.45 0.00 0.00 -0.37 0.00 0.00 57.07 57.09 2nqb s TYR 98 Cb -0.15 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.50 2nqb s TYR 98 CO -0.02 0.56 0.00 0.41 -1.57 0.00 0.00 175.55 174.93 2nqb n GLY 99 N 0.58 0.97 1.09 0.71 0.00 -1.26 -4.99 105.19 102.30 2nqb n GLY 99 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.99 2nqb n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2nqb n PHE 100 N -1.30 0.00 0.00 1.61 3.01 -1.26 -5.12 117.46 114.40 2nqb n PHE 100 Ca 0.00 -0.54 0.00 0.00 1.01 0.00 0.00 57.45 57.92 2nqb n PHE 100 Cb 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 2nqb n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2nqb n GLY 101 N 0.09 2.28 3.87 1.37 0.00 -1.26 -4.48 105.19 107.06 2nqb n GLY 101 Ca 0.07 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.08 2nqb n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93