#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qzg s SER 3 N 0.00 -0.48 -0.08 -2.13 0.15 -1.26 -5.00 113.70 104.90 2qzg s SER 3 Ca 0.00 0.96 0.20 0.00 0.70 0.00 0.00 55.95 57.81 2qzg s SER 3 Cb 0.00 0.97 0.71 0.00 -1.71 0.00 0.00 66.02 65.99 2qzg s SER 3 CO 0.00 -0.21 1.61 0.00 1.20 0.00 0.00 173.24 175.84 2qzg n ALA 4 N 4.57 2.88 -1.77 5.45 0.00 -1.26 -5.00 120.51 125.39 2qzg n ALA 4 Ca -0.19 -1.50 -0.40 0.00 0.00 0.00 0.00 53.44 51.35 2qzg n ALA 4 Cb 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2qzg n ALA 4 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qzg s LYS 5 N -1.59 4.01 0.79 0.00 1.02 -1.26 -4.99 119.74 117.72 2qzg s LYS 5 Ca 0.51 2.45 -0.11 0.00 0.02 0.00 0.00 55.97 58.85 2qzg s LYS 5 Cb 0.31 -2.87 0.07 0.00 -0.52 0.00 0.00 37.83 34.81 2qzg s LYS 5 CO 0.28 -0.57 1.09 0.15 -0.92 0.00 0.00 175.35 175.38 2qzg s LYS 6 N -2.17 2.13 -0.17 1.68 1.02 -1.26 -4.95 119.74 116.01 2qzg s LYS 6 Ca 0.55 1.10 -0.29 0.00 0.02 0.00 0.00 55.97 57.35 2qzg s LYS 6 Cb -0.44 -1.89 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 2qzg s LYS 6 CO 0.59 -1.71 1.39 -0.51 -0.92 0.00 0.00 175.35 174.19 2qzg s LEU 7 N -5.95 4.13 0.71 3.17 1.43 -1.26 -5.03 118.68 115.88 2qzg s LEU 7 Ca 0.61 1.72 -0.11 0.00 -1.03 0.00 0.00 54.13 55.32 2qzg s LEU 7 Cb -0.17 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.53 2qzg s LEU 7 CO 0.56 -0.90 1.07 -0.94 0.23 0.00 0.00 176.35 176.37 2qzg s SER 8 N 2.66 5.31 0.29 2.29 1.04 -1.26 -4.88 113.70 119.15 2qzg s SER 8 Ca 0.61 1.41 0.04 0.00 0.48 0.00 0.00 55.95 58.48 2qzg s SER 8 Cb -0.24 -2.26 0.65 0.00 0.10 0.00 0.00 66.02 64.27 2qzg s SER 8 CO 0.21 -1.46 1.80 -0.65 0.98 0.00 0.00 173.24 174.12 2qzg h PRO 9 N -0.73 0.83 -0.58 4.02 0.11 -1.96 -1.05 132.00 132.64 2qzg h PRO 9 Ca -0.45 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 2qzg h PRO 9 Cb 1.23 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2qzg h PRO 9 CO 0.60 0.55 0.01 0.00 -0.21 0.00 0.00 178.00 178.94 2qzg h ALA 10 N 1.60 0.92 -0.61 -0.75 0.00 -1.99 0.30 119.26 118.73 2qzg h ALA 10 Ca 0.54 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 2qzg h ALA 10 Cb 0.72 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2qzg h ALA 10 CO -0.33 0.65 0.12 -0.44 0.00 0.00 0.00 179.25 179.24 2qzg h ASP 11 N 0.92 0.95 -0.37 0.00 3.32 -1.84 -1.70 116.42 117.70 2qzg h ASP 11 Ca 0.17 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2qzg h ASP 11 Cb 0.52 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2qzg h ASP 11 CO 0.03 0.96 0.17 0.11 -1.72 0.00 0.00 179.24 178.79 2qzg h LYS 12 N 0.90 0.53 -0.47 3.56 1.57 -0.85 -1.24 116.57 120.58 2qzg h LYS 12 Ca 0.19 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 2qzg h LYS 12 Cb 0.40 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2qzg h LYS 12 CO 0.01 0.48 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.25 2qzg h LEU 13 N 0.46 0.79 -0.41 2.94 3.38 -0.94 -1.42 115.31 120.12 2qzg h LEU 13 Ca 0.13 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.91 2qzg h LEU 13 Cb 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2qzg h LEU 13 CO -0.02 0.89 0.20 0.50 0.09 0.00 0.00 178.44 180.11 2qzg h LYS 14 N 0.75 0.40 -0.11 1.13 3.64 -1.00 -0.65 116.57 120.71 2qzg h LYS 14 Ca 0.14 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 2qzg h LYS 14 Cb 0.53 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2qzg h LYS 14 CO 0.03 0.26 -0.40 -0.91 -2.27 0.00 0.00 179.45 176.17 2qzg h ASN 15 N 0.41 0.26 -0.18 4.20 4.21 -0.89 -1.99 115.58 121.60 2qzg h ASN 15 Ca 0.17 -0.11 -0.06 0.00 1.21 0.00 0.00 56.30 57.52 2qzg h ASN 15 Cb 0.08 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2qzg h ASN 15 CO -0.12 0.64 -0.13 0.40 -1.29 0.00 0.00 177.43 176.93 2qzg h ILE 16 N 0.21 1.32 -0.95 2.81 2.04 -0.99 -3.15 117.51 118.80 2qzg h ILE 16 Ca 0.02 -1.23 0.04 0.00 1.00 0.00 0.00 64.86 64.69 2qzg h ILE 16 Cb 0.80 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 38.55 2qzg h ILE 16 CO 0.06 0.37 0.61 0.28 0.00 0.00 0.00 178.15 179.48 2qzg h SER 17 N 0.08 1.01 0.00 1.72 0.02 -1.05 -0.01 113.55 115.32 2qzg h SER 17 Ca 0.04 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2qzg h SER 17 Cb 0.64 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2qzg h SER 17 CO 0.03 0.68 0.00 -0.24 -1.14 0.00 0.00 176.83 176.16 2qzg n SER 18 N -4.50 0.34 0.00 3.07 2.88 -0.76 0.00 113.62 114.65 2qzg n SER 18 Ca 0.13 -0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 2qzg n SER 18 Cb 0.12 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 2qzg n SER 18 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2qzg n LEU 20 N 0.63 0.00 -0.06 2.46 4.77 -0.02 -2.20 117.00 122.59 2qzg n LEU 20 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2qzg n LEU 20 Cb 0.06 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.60 2qzg n LEU 20 CO 0.00 0.00 1.18 -0.08 -1.33 0.00 0.00 177.39 177.16 2qzg h GLU 21 N 0.00 0.51 -0.68 3.23 4.57 -0.68 -1.58 114.58 119.95 2qzg h GLU 21 Ca 0.00 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2qzg h GLU 21 Cb 0.00 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 2qzg h GLU 21 CO 0.00 0.34 0.43 1.49 -1.18 0.00 0.00 179.01 180.09 2qzg h GLU 22 N 0.52 0.82 -0.14 1.92 4.81 -1.69 -1.14 114.58 119.68 2qzg h GLU 22 Ca 0.22 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2qzg h GLU 22 Cb 0.22 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2qzg h GLU 22 CO -0.06 0.54 0.01 0.82 -0.73 0.00 0.00 179.01 179.60 2qzg h ILE 23 N 0.85 1.24 -0.73 2.32 2.04 -1.68 -2.52 117.51 119.03 2qzg h ILE 23 Ca 0.27 -0.78 0.14 0.00 1.00 0.00 0.00 64.86 65.49 2qzg h ILE 23 Cb -0.00 1.48 -0.10 0.00 -0.74 0.00 0.00 36.82 37.46 2qzg h ILE 23 CO -0.10 0.23 0.26 0.58 0.00 0.00 0.00 178.15 179.13 2qzg h VAL 24 N 0.00 0.63 -0.01 1.67 2.07 -1.07 -0.92 116.25 118.63 2qzg h VAL 24 Ca 0.04 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2qzg h VAL 24 Cb 0.34 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2qzg h VAL 24 CO 0.01 0.07 0.00 -0.62 0.02 0.00 0.00 177.57 177.05 2qzg n GLU 25 N -5.04 1.43 -2.65 1.57 1.02 -0.45 -4.71 120.64 111.81 2qzg n GLU 25 Ca 0.14 -0.62 -0.42 0.00 -0.02 0.00 0.00 57.16 56.24 2qzg n GLU 25 Cb 0.41 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 2qzg n GLU 25 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2qzg s ASP 26 N -1.99 6.52 0.00 1.62 -1.08 -0.35 -4.84 116.67 116.56 2qzg s ASP 26 Ca 0.41 -1.58 0.10 0.00 -0.52 0.00 0.00 52.55 50.96 2qzg s ASP 26 Cb 0.21 -2.53 0.57 0.00 -1.46 0.00 0.00 42.92 39.72 2qzg s ASP 26 CO 0.34 -1.41 1.01 0.35 0.52 0.00 0.00 175.17 175.99 2qzg n THR 27 N 6.54 0.00 0.93 1.71 -2.24 -1.26 -0.72 114.28 119.23 2qzg n THR 27 Ca 0.30 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.21 2qzg n THR 27 Cb 0.50 -0.81 0.33 0.00 -2.10 0.00 0.00 70.33 68.25 2qzg n THR 27 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2qzg n THR 28 N -0.97 0.07 -4.22 4.28 -1.04 -1.26 -4.90 114.28 106.25 2qzg n THR 28 Ca 0.07 -0.05 -0.35 0.00 -2.04 0.00 0.00 64.05 61.69 2qzg n THR 28 Cb 0.03 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.45 2qzg n THR 28 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2qzg s VAL 29 N -3.03 4.50 0.11 12.58 1.01 0.10 -5.03 120.40 130.64 2qzg s VAL 29 Ca 0.11 -0.16 -0.35 0.00 0.00 0.00 0.00 61.98 61.59 2qzg s VAL 29 Cb 0.17 -2.96 -0.17 0.00 0.00 0.00 0.00 36.38 33.42 2qzg s VAL 29 CO 0.66 0.54 1.03 -2.65 0.00 0.00 0.00 175.10 174.69 2qzg n PRO 30 N 2.80 0.56 0.16 2.72 -0.02 -1.26 -4.74 135.00 135.22 2qzg n PRO 30 Ca -0.18 0.20 0.14 0.00 -2.02 0.00 0.00 63.50 61.64 2qzg n PRO 30 Cb 0.53 -1.62 0.69 0.00 -0.02 0.00 0.00 33.50 33.08 2qzg n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qzg h ARG 31 N 2.93 0.00 0.00 -0.52 3.08 -1.97 -1.38 114.38 116.53 2qzg h ARG 31 Ca -0.43 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.53 2qzg h ARG 31 Cb 1.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 2qzg h ARG 31 CO 0.67 0.00 -0.39 -2.95 -1.07 0.00 0.00 179.97 176.23 2qzg h ASN 32 N 0.00 0.00 0.44 7.04 -1.07 -1.99 -2.23 115.58 117.77 2qzg h ASN 32 Ca 0.10 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.16 2qzg h ASN 32 Cb 0.42 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.68 2qzg h ASN 32 CO -0.00 0.39 -1.42 0.40 0.07 0.00 0.00 177.43 176.87 2qzg h ILE 33 N 0.00 1.32 -0.91 6.14 2.04 -1.62 -2.56 117.51 121.93 2qzg h ILE 33 Ca -0.00 -2.85 0.01 0.00 1.00 0.00 0.00 64.86 63.02 2qzg h ILE 33 Cb 0.96 2.94 -0.05 0.00 -0.74 0.00 0.00 36.82 39.94 2qzg h ILE 33 CO 0.05 0.85 0.60 0.03 0.00 0.00 0.00 178.15 179.68 2qzg h ARG 34 N 0.10 1.19 -0.07 2.37 3.08 -1.40 -1.63 114.38 118.03 2qzg h ARG 34 Ca -0.21 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.66 2qzg h ARG 34 Cb 2.06 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 31.83 2qzg h ARG 34 CO 0.22 0.79 -0.42 0.00 -1.07 0.00 0.00 179.97 179.49 2qzg h ALA 35 N 1.34 1.16 -0.37 0.04 0.00 -1.44 -1.38 119.26 118.61 2qzg h ALA 35 Ca 0.34 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2qzg h ALA 35 Cb -0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2qzg h ALA 35 CO -0.07 0.58 -0.38 0.00 0.00 0.00 0.00 179.25 179.38 2qzg h ALA 36 N 1.43 0.64 -0.45 0.00 0.00 -0.97 0.82 119.26 120.73 2qzg h ALA 36 Ca 0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 2qzg h ALA 36 Cb 0.81 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2qzg h ALA 36 CO 0.06 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.98 2qzg h ALA 37 N 0.85 1.15 -0.47 0.00 0.00 -1.25 -0.95 119.26 118.60 2qzg h ALA 37 Ca 0.06 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2qzg h ALA 37 Cb 0.95 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2qzg h ALA 37 CO 0.09 0.55 -0.07 0.22 0.00 0.00 0.00 179.25 180.04 2qzg h ASP 38 N 0.69 0.81 -0.11 0.00 3.58 -0.77 -1.15 116.42 119.47 2qzg h ASP 38 Ca 0.14 -0.23 -0.19 0.00 0.42 0.00 0.00 57.03 57.17 2qzg h ASP 38 Cb 0.43 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2qzg h ASP 38 CO 0.02 0.91 -0.63 0.78 -2.88 0.00 0.00 179.24 177.44 2qzg h ASN 39 N 0.75 0.83 -0.59 2.28 2.35 -0.61 -0.31 115.58 120.28 2qzg h ASN 39 Ca 0.13 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 2qzg h ASN 39 Cb 0.55 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 2qzg h ASN 39 CO 0.03 1.26 0.39 0.00 -1.65 0.00 0.00 177.43 177.45 2qzg h ALA 40 N 0.75 0.75 -0.01 -0.83 0.00 -1.09 0.34 119.26 119.17 2qzg h ALA 40 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qzg h ALA 40 Cb 1.23 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2qzg h ALA 40 CO 0.13 0.19 0.01 -0.22 0.00 0.00 0.00 179.25 179.36 2qzg h LYS 41 N 0.80 0.02 -0.21 0.00 3.64 -1.01 -2.63 116.57 117.17 2qzg h LYS 41 Ca 0.22 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2qzg h LYS 41 Cb -0.08 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2qzg h LYS 41 CO -0.05 0.07 0.02 -0.91 -2.27 0.00 0.00 179.45 176.32 2qzg h ASN 42 N -0.04 0.27 0.10 4.20 2.35 -0.89 -2.20 115.58 119.38 2qzg h ASN 42 Ca 0.00 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2qzg h ASN 42 Cb 0.06 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 2qzg h ASN 42 CO -0.00 0.31 -0.09 0.00 -1.65 0.00 0.00 177.43 176.00 2qzg h ALA 43 N 1.73 1.78 0.00 -0.83 0.00 -0.57 -2.82 119.26 118.55 2qzg h ALA 43 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qzg h ALA 43 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2qzg h ALA 43 CO 0.00 0.11 0.00 -0.07 0.00 0.00 0.00 179.25 179.29 2qzg h LEU 44 N 0.00 0.00 -4.74 0.00 3.38 -1.15 -3.21 115.31 109.59 2qzg h LEU 44 Ca -0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 2qzg h LEU 44 Cb 0.16 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.51 2qzg h LEU 44 CO 0.01 0.00 -0.44 1.41 0.09 0.00 0.00 178.44 179.51 2qzg n HIS 45 N -2.56 3.44 -3.55 1.13 8.25 -1.06 -4.95 115.22 115.91 2qzg n HIS 45 Ca 0.03 -3.13 -0.41 0.00 -0.26 0.00 0.00 57.72 53.95 2qzg n HIS 45 Cb 0.34 -0.31 -0.08 0.00 1.12 0.00 0.00 29.99 31.05 2qzg n HIS 45 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2qzg s ASN 46 N -3.16 5.72 0.00 0.41 3.84 -1.21 -4.94 114.94 115.60 2qzg s ASN 46 Ca 0.48 -1.98 0.20 0.00 0.21 0.00 0.00 52.86 51.77 2qzg s ASN 46 Cb 0.38 -2.01 1.06 0.00 -0.55 0.00 0.00 41.25 40.13 2qzg s ASN 46 CO -0.21 -0.68 1.60 1.21 -2.79 0.00 0.00 177.10 176.23 2qzg n GLU 47 N 4.82 0.40 0.00 0.43 2.13 -1.26 -1.77 120.64 125.40 2qzg n GLU 47 Ca -0.07 0.07 0.13 0.00 0.66 0.00 0.00 57.16 57.95 2qzg n GLU 47 Cb 0.41 -1.50 0.58 0.00 0.27 0.00 0.00 31.44 31.20 2qzg n GLU 47 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2qzg n GLU 48 N -1.18 0.01 -4.24 5.31 -0.58 -1.26 -4.86 120.64 113.83 2qzg n GLU 48 Ca 0.11 0.04 -0.21 0.00 -0.42 0.00 0.00 57.16 56.68 2qzg n GLU 48 Cb 0.12 -1.51 -0.12 0.00 -0.57 0.00 0.00 31.44 29.36 2qzg n GLU 48 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2qzg s GLN 49 N -3.00 0.99 0.44 3.49 -0.21 -0.73 -5.13 119.66 115.50 2qzg s GLN 49 Ca 0.13 -1.06 -0.24 0.00 0.02 0.00 0.00 55.36 54.21 2qzg s GLN 49 Cb 0.18 -1.13 -0.10 0.00 1.00 0.00 0.00 33.01 32.96 2qzg s GLN 49 CO 0.50 0.26 1.04 0.39 -2.12 0.00 0.00 175.29 175.36 2qzg n GLU 50 N 1.20 1.39 -0.13 2.91 -0.58 -1.26 -4.76 120.64 119.40 2qzg n GLU 50 Ca -0.20 0.50 -0.04 0.00 -0.42 0.00 0.00 57.16 57.00 2qzg n GLU 50 Cb 0.54 -2.10 0.04 0.00 -0.57 0.00 0.00 31.44 29.34 2qzg n GLU 50 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2qzg h LEU 51 N 1.52 -0.14 -1.50 -4.62 6.46 -1.99 0.23 115.31 115.28 2qzg h LEU 51 Ca -0.45 0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.36 2qzg h LEU 51 Cb 1.33 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 41.42 2qzg h LEU 51 CO 0.57 -0.03 -0.20 0.16 -0.62 0.00 0.00 178.44 178.31 2qzg h ILE 52 N 0.13 0.64 0.01 4.05 3.07 -1.91 -1.42 117.51 122.07 2qzg h ILE 52 Ca 0.21 -0.88 -0.18 0.00 1.55 0.00 0.00 64.86 65.55 2qzg h ILE 52 Cb 0.29 1.57 0.02 0.00 -0.27 0.00 0.00 36.82 38.43 2qzg h ILE 52 CO -0.33 0.20 -0.72 0.58 -1.05 0.00 0.00 178.15 176.82 2qzg h VAL 53 N 0.00 1.39 -0.82 0.16 2.07 -1.66 -1.19 116.25 116.20 2qzg h VAL 53 Ca -0.00 -2.14 0.07 0.00 0.82 0.00 0.00 66.70 65.45 2qzg h VAL 53 Cb 0.55 2.57 -0.06 0.00 -1.52 0.00 0.00 31.29 32.83 2qzg h VAL 53 CO 0.03 0.63 0.50 0.03 0.02 0.00 0.00 177.57 178.77 2qzg h ARG 54 N 0.01 0.86 -0.17 1.57 3.08 -0.79 -0.58 114.38 118.36 2qzg h ARG 54 Ca -0.09 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 2qzg h ARG 54 Cb 1.42 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 2qzg h ARG 54 CO 0.14 0.57 0.09 0.77 -1.07 0.00 0.00 179.97 180.47 2qzg h SER 55 N 0.89 0.21 -0.94 7.04 0.02 -1.25 -1.16 113.55 118.36 2qzg h SER 55 Ca 0.37 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.27 2qzg h SER 55 Cb 0.22 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.65 2qzg h SER 55 CO -0.19 0.24 0.61 0.00 -1.14 0.00 0.00 176.83 176.35 2qzg h ALA 56 N 0.99 1.25 -0.55 3.77 0.00 -1.00 -0.77 119.26 122.95 2qzg h ALA 56 Ca 0.06 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2qzg h ALA 56 Cb 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2qzg h ALA 56 CO -0.01 0.48 0.08 1.15 0.00 0.00 0.00 179.25 180.95 2qzg h THR 57 N 1.18 1.26 -0.37 0.00 2.02 -0.90 0.14 112.91 116.23 2qzg h THR 57 Ca 0.38 -0.97 -0.12 0.00 0.77 0.00 0.00 66.41 66.46 2qzg h THR 57 Cb 0.02 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2qzg h THR 57 CO -0.13 0.35 -0.25 0.00 0.37 0.00 0.00 175.52 175.87 2qzg h ALA 58 N 0.99 0.86 -0.53 6.16 0.00 -0.93 -1.74 119.26 124.06 2qzg h ALA 58 Ca 0.17 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2qzg h ALA 58 Cb 0.42 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2qzg h ALA 58 CO 0.01 0.63 0.22 0.82 0.00 0.00 0.00 179.25 180.93 2qzg h ILE 59 N 0.66 1.21 -0.40 0.00 2.04 -0.89 -2.78 117.51 117.35 2qzg h ILE 59 Ca 0.09 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.32 2qzg h ILE 59 Cb 0.76 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 2qzg h ILE 59 CO 0.06 0.25 0.18 -0.61 0.00 0.00 0.00 178.15 178.04 2qzg h GLN 60 N 0.71 0.36 -0.86 2.37 5.75 -0.70 0.21 115.11 122.96 2qzg h GLN 60 Ca 0.18 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.71 2qzg h GLN 60 Cb 0.19 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.60 2qzg h GLN 60 CO -0.02 0.24 0.56 1.88 -2.65 0.00 0.00 178.83 178.84 2qzg h TYR 61 N 0.38 0.98 -0.08 3.99 0.05 -1.25 -1.56 116.97 119.49 2qzg h TYR 61 Ca 0.18 0.03 -0.18 0.00 0.05 0.00 0.00 58.73 58.80 2qzg h TYR 61 Cb 0.11 -0.32 0.01 0.00 1.01 0.00 0.00 36.73 37.53 2qzg h TYR 61 CO -0.11 0.53 -0.67 -0.07 -1.05 0.00 0.00 178.16 176.79 2qzg h LEU 62 N 0.98 0.73 -1.47 3.88 3.38 -1.13 -3.23 115.31 118.45 2qzg h LEU 62 Ca 0.36 -0.68 0.02 0.00 0.09 0.00 0.00 57.88 57.68 2qzg h LEU 62 Cb 0.17 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2qzg h LEU 62 CO -0.13 1.29 0.38 0.44 0.09 0.00 0.00 178.44 180.52 2qzg h ASP 63 N 0.22 0.61 0.02 -0.43 3.32 -0.40 -2.90 116.42 116.86 2qzg h ASP 63 Ca -0.06 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 2qzg h ASP 63 Cb 1.32 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 2qzg h ASP 63 CO 0.14 0.43 -0.13 0.44 -1.72 0.00 0.00 179.24 178.40 2qzg h ASP 64 N 0.71 0.23 0.07 6.45 3.32 -1.30 -2.84 116.42 123.06 2qzg h ASP 64 Ca 0.23 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2qzg h ASP 64 Cb 0.03 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2qzg h ASP 64 CO -0.06 0.38 -0.45 2.30 -1.72 0.00 0.00 179.24 179.69 2qzg n ILE 65 N -4.28 0.00 -0.31 0.35 -5.35 -1.11 -4.43 119.36 104.23 2qzg n ILE 65 Ca -0.01 -0.20 0.05 0.00 -0.27 0.00 0.00 62.75 62.32 2qzg n ILE 65 Cb 0.27 0.96 0.19 0.00 -1.74 0.00 0.00 39.64 39.32 2qzg n ILE 65 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2qzg h SER 66 N 1.86 0.74 0.00 7.28 4.64 -1.33 -0.66 113.55 126.09 2qzg h SER 66 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2qzg h SER 66 Cb 0.66 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2qzg h SER 66 CO 0.00 0.40 0.00 -0.62 -0.87 0.00 0.00 176.83 175.74 2qzg n GLU 67 N -4.72 0.97 -1.70 4.77 -0.58 -1.26 -4.84 120.64 113.28 2qzg n GLU 67 Ca 0.15 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.46 2qzg n GLU 67 Cb 0.31 -1.23 -0.03 0.00 -0.57 0.00 0.00 31.44 29.92 2qzg n GLU 67 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2qzg n ASP 68 N -0.73 3.56 -0.25 1.62 -0.08 -0.26 -4.91 116.55 115.50 2qzg n ASP 68 Ca 0.11 1.08 -0.02 0.00 -1.51 0.00 0.00 54.79 54.45 2qzg n ASP 68 Cb 0.05 -1.51 0.17 0.00 2.34 0.00 0.00 41.12 42.17 2qzg n ASP 68 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2qzg h PRO 69 N 6.16 1.07 -5.38 -0.67 0.13 -1.89 -3.48 132.00 127.93 2qzg h PRO 69 Ca -0.44 -0.11 -0.62 0.00 -0.87 0.00 0.00 66.00 63.95 2qzg h PRO 69 Cb 1.23 -0.22 -0.13 0.00 0.13 0.00 0.00 31.00 32.01 2qzg h PRO 69 CO 0.91 0.78 0.04 -0.80 -0.23 0.00 0.00 178.00 178.69 2qzg s ASN 70 N -6.35 6.43 0.08 1.44 0.01 -1.26 -5.14 114.94 110.15 2qzg s ASN 70 Ca -0.11 0.37 0.04 0.00 -0.71 0.00 0.00 52.86 52.45 2qzg s ASN 70 Cb 0.17 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.50 2qzg s ASN 70 CO 0.80 -0.40 -0.12 -2.84 -1.51 0.00 0.00 177.10 173.03 2qzg s PRO 72 N 2.44 0.81 0.07 -0.60 0.02 -1.26 -4.77 135.00 131.71 2qzg s PRO 72 Ca 0.22 -1.00 -0.22 0.00 0.02 0.00 0.00 61.00 60.02 2qzg s PRO 72 Cb -0.15 -0.69 -0.12 0.00 0.02 0.00 0.00 34.50 33.55 2qzg s PRO 72 CO 0.11 0.14 1.56 0.82 -0.33 0.00 0.00 177.00 179.30 2qzg h ILE 73 N 4.07 1.19 -0.68 2.83 2.04 -2.00 -1.67 117.51 123.29 2qzg h ILE 73 Ca -0.39 -0.60 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 2qzg h ILE 73 Cb 1.19 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 2qzg h ILE 73 CO 0.44 0.18 0.25 1.12 0.00 0.00 0.00 178.15 180.14 2qzg h HIS 74 N 0.01 1.06 -0.52 1.37 2.07 -2.03 -2.60 115.15 114.50 2qzg h HIS 74 Ca 0.04 -0.09 -0.06 0.00 -2.85 0.00 0.00 60.37 57.41 2qzg h HIS 74 Cb 0.25 -0.31 -0.02 0.00 2.57 0.00 0.00 27.41 29.89 2qzg h HIS 74 CO 0.01 0.83 0.09 1.15 -3.07 0.00 0.00 177.93 176.94 2qzg h THR 75 N 0.97 1.23 -0.36 6.12 2.02 -1.98 -1.11 112.91 119.81 2qzg h THR 75 Ca 0.22 -0.88 -0.08 0.00 0.77 0.00 0.00 66.41 66.44 2qzg h THR 75 Cb 0.24 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2qzg h THR 75 CO -0.01 0.32 -0.12 -0.09 0.37 0.00 0.00 175.52 175.99 2qzg h ARG 76 N 0.79 0.63 -0.24 6.66 2.43 -1.12 0.25 114.38 123.78 2qzg h ARG 76 Ca 0.17 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2qzg h ARG 76 Cb 0.35 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2qzg h ARG 76 CO 0.01 0.74 0.07 1.15 -1.51 0.00 0.00 179.97 180.43 2qzg h THR 77 N 0.58 1.19 -0.80 0.20 2.02 -1.09 -1.18 112.91 113.83 2qzg h THR 77 Ca 0.10 -0.62 0.07 0.00 0.77 0.00 0.00 66.41 66.73 2qzg h THR 77 Cb 0.55 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 68.05 2qzg h THR 77 CO 0.03 0.20 0.48 1.56 0.37 0.00 0.00 175.52 178.16 2qzg h GLN 78 N 0.21 0.83 -0.31 6.66 4.20 -0.80 -2.28 115.11 123.63 2qzg h GLN 78 Ca 0.08 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 2qzg h GLN 78 Cb 0.24 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2qzg h GLN 78 CO -0.00 0.55 -0.13 0.82 -0.67 0.00 0.00 178.83 179.40 2qzg h ILE 79 N 0.86 1.29 -0.62 2.54 2.04 -0.86 -1.91 117.51 120.85 2qzg h ILE 79 Ca 0.36 -1.22 0.10 0.00 1.00 0.00 0.00 64.86 65.10 2qzg h ILE 79 Cb 0.21 1.44 -0.08 0.00 -0.74 0.00 0.00 36.82 37.65 2qzg h ILE 79 CO -0.19 0.39 0.21 -0.25 0.00 0.00 0.00 178.15 178.31 2qzg h TRP 80 N 0.39 0.35 -0.55 1.37 7.01 -1.06 -0.13 115.95 123.33 2qzg h TRP 80 Ca 0.07 0.03 0.08 0.00 2.11 0.00 0.00 58.89 61.18 2qzg h TRP 80 Cb 0.65 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.59 2qzg h TRP 80 CO 0.06 0.06 0.21 0.78 -2.79 0.00 0.00 178.44 176.76 2qzg h GLY 81 N 0.37 0.76 0.81 2.65 0.00 -1.08 -0.61 103.07 105.96 2qzg h GLY 81 Ca 0.32 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.45 2qzg h GLY 81 CO -0.34 0.01 -0.18 -2.22 0.00 0.00 0.00 176.54 173.81 2qzg h ILE 82 N 0.40 1.33 -0.53 2.60 2.04 -0.79 -2.05 117.51 120.51 2qzg h ILE 82 Ca 0.27 -1.33 -0.08 0.00 1.00 0.00 0.00 64.86 64.71 2qzg h ILE 82 Cb 0.29 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2qzg h ILE 82 CO -0.26 0.40 0.03 0.58 0.00 0.00 0.00 178.15 178.90 2qzg h VAL 83 N 0.11 1.26 -0.43 1.67 2.07 -0.94 0.67 116.25 120.66 2qzg h VAL 83 Ca 0.03 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 2qzg h VAL 83 Cb 0.72 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2qzg h VAL 83 CO 0.04 0.38 -0.01 0.77 0.02 0.00 0.00 177.57 178.78 2qzg h SER 84 N 0.80 0.67 -0.24 0.57 4.64 -1.04 -1.32 113.55 117.64 2qzg h SER 84 Ca 0.15 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2qzg h SER 84 Cb 0.49 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2qzg h SER 84 CO 0.02 0.74 -0.25 -0.33 -0.87 0.00 0.00 176.83 176.15 2qzg h GLU 85 N 0.66 0.60 -0.61 4.77 5.08 -1.12 -3.07 114.58 120.89 2qzg h GLU 85 Ca 0.13 -0.32 0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2qzg h GLU 85 Cb 0.42 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 2qzg h GLU 85 CO 0.02 0.91 0.40 -0.07 -1.00 0.00 0.00 179.01 179.28 2qzg h LEU 86 N 0.30 0.52 -1.16 1.33 3.38 -0.58 -2.10 115.31 117.01 2qzg h LEU 86 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qzg h LEU 86 Cb 0.81 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2qzg h LEU 86 CO 0.06 0.34 0.00 -0.33 0.09 0.00 0.00 178.44 178.60 2qzg h GLU 87 N 0.59 0.00 -0.00 1.13 5.08 -1.15 -2.43 114.58 117.80 2qzg h GLU 87 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2qzg h GLU 87 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2qzg h GLU 87 CO -0.08 0.00 -0.42 0.25 -1.00 0.00 0.00 179.01 177.76 2qzg n THR 88 N -2.35 0.00 -2.42 1.13 -2.24 -0.79 -4.88 114.28 102.73 2qzg n THR 88 Ca 0.00 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2qzg n THR 88 Cb 0.15 0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 2qzg n THR 88 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2qzg s ILE 89 N -2.96 4.21 0.34 2.28 -1.09 -0.92 -4.96 121.20 118.10 2qzg s ILE 89 Ca 0.12 1.41 0.03 0.00 -2.23 0.00 0.00 60.65 59.99 2qzg s ILE 89 Cb 0.18 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 2qzg s ILE 89 CO 0.67 -0.32 0.12 -0.54 -1.23 0.00 0.00 174.94 173.64 2qzg s LYS 90 N 3.87 1.71 0.00 2.79 3.01 -1.26 -4.83 119.74 125.03 2qzg s LYS 90 Ca 0.55 -1.99 0.00 0.00 -1.01 0.00 0.00 55.97 53.52 2qzg s LYS 90 Cb -0.19 -0.44 0.00 0.00 -1.01 0.00 0.00 37.83 36.19 2qzg s LYS 90 CO 0.19 -0.40 0.00 0.09 0.51 0.00 0.00 175.35 175.75