#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gvn s THR 4 N 0.00 3.73 0.31 3.34 -4.23 -1.26 -5.02 115.64 112.51 1gvn s THR 4 Ca 0.00 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 58.82 1gvn s THR 4 Cb 0.00 -2.98 0.16 0.00 1.34 0.00 0.00 72.50 71.02 1gvn s THR 4 CO 0.00 -0.32 1.86 0.22 -0.54 0.00 0.00 174.62 175.84 1gvn h TYR 5 N 1.95 0.72 -0.37 3.99 3.20 -2.05 -0.62 116.97 123.79 1gvn h TYR 5 Ca -0.46 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.36 1gvn h TYR 5 Cb 1.24 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 1gvn h TYR 5 CO 0.64 0.63 0.22 1.49 -1.64 0.00 0.00 178.16 179.50 1gvn h GLU 6 N 0.68 0.44 -0.29 1.82 4.81 -1.99 0.17 114.58 120.22 1gvn h GLU 6 Ca 0.15 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.18 1gvn h GLU 6 Cb 0.29 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1gvn h GLU 6 CO 0.00 0.29 -0.52 0.87 -0.73 0.00 0.00 179.01 178.92 1gvn h LYS 7 N 0.45 0.84 -0.68 1.92 1.57 -1.89 -2.15 116.57 116.62 1gvn h LYS 7 Ca 0.15 -0.52 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1gvn h LYS 7 Cb 0.00 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1gvn h LYS 7 CO -0.07 1.15 0.42 1.15 -0.57 0.00 0.00 179.45 181.54 1gvn h THR 8 N 0.65 1.19 -0.45 -0.16 2.02 -0.82 -0.06 112.91 115.29 1gvn h THR 8 Ca 0.02 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 1gvn h THR 8 Cb 1.12 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1gvn h THR 8 CO 0.12 0.20 0.02 0.15 0.37 0.00 0.00 175.52 176.37 1gvn h PHE 9 N 0.93 0.85 -0.64 3.16 3.04 -0.60 -0.87 116.94 122.81 1gvn h PHE 9 Ca 0.25 -0.14 0.02 0.00 3.98 0.00 0.00 57.97 62.08 1gvn h PHE 9 Cb -0.05 -0.22 -0.04 0.00 2.56 0.00 0.00 35.95 38.20 1gvn h PHE 9 CO -0.02 0.82 0.40 1.49 -2.02 0.00 0.00 178.31 178.99 1gvn h GLU 10 N 0.64 0.77 -0.63 1.11 4.57 -0.99 -1.42 114.58 118.62 1gvn h GLU 10 Ca 0.13 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 1gvn h GLU 10 Cb 0.47 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1gvn h GLU 10 CO 0.02 0.51 0.15 0.82 -1.18 0.00 0.00 179.01 179.33 1gvn h ILE 11 N 0.79 1.25 -0.75 2.32 2.04 -0.72 -0.91 117.51 121.53 1gvn h ILE 11 Ca 0.25 -0.91 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 1gvn h ILE 11 Cb 0.00 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1gvn h ILE 11 CO -0.10 0.35 0.23 -0.08 0.00 0.00 0.00 178.15 178.55 1gvn h GLU 12 N 0.95 1.17 -0.21 2.37 4.22 -0.51 -0.76 114.58 121.80 1gvn h GLU 12 Ca 0.20 -0.25 -0.06 0.00 0.08 0.00 0.00 59.36 59.33 1gvn h GLU 12 Cb 0.34 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1gvn h GLU 12 CO 0.00 0.99 -0.09 0.82 -2.18 0.00 0.00 179.01 178.55 1gvn h ILE 13 N 1.12 1.30 -0.26 2.32 1.08 -0.98 -2.39 117.51 119.69 1gvn h ILE 13 Ca 0.24 -1.14 0.05 0.00 -0.39 0.00 0.00 64.86 63.62 1gvn h ILE 13 Cb 0.31 1.60 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 1gvn h ILE 13 CO -0.01 0.35 -0.01 0.40 -0.69 0.00 0.00 178.15 178.19 1gvn h ILE 14 N 0.15 0.79 -0.74 -0.67 2.04 -0.95 -0.07 117.51 118.06 1gvn h ILE 14 Ca 0.05 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1gvn h ILE 14 Cb 0.58 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1gvn h ILE 14 CO 0.03 0.01 0.49 0.78 0.00 0.00 0.00 178.15 179.46 1gvn h ASN 15 N 0.06 0.84 -0.10 1.72 2.35 -1.09 0.20 115.58 119.56 1gvn h ASN 15 Ca 0.13 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1gvn h ASN 15 Cb 0.17 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1gvn h ASN 15 CO -0.23 0.60 -0.15 -0.33 -1.65 0.00 0.00 177.43 175.68 1gvn h GLU 16 N 0.99 0.28 -0.38 0.81 5.08 -0.87 -2.76 114.58 117.73 1gvn h GLU 16 Ca 0.28 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1gvn h GLU 16 Cb -0.09 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1gvn h GLU 16 CO -0.06 0.74 0.05 1.25 -1.00 0.00 0.00 179.01 179.98 1gvn h LEU 17 N -0.16 0.61 -1.11 1.33 5.85 -0.70 -2.68 115.31 118.45 1gvn h LEU 17 Ca 0.01 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1gvn h LEU 17 Cb 0.71 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1gvn h LEU 17 CO 0.03 0.73 0.43 0.77 -0.34 0.00 0.00 178.44 180.07 1gvn h SER 18 N 0.47 0.93 -0.58 1.25 4.64 -0.68 -1.32 113.55 118.26 1gvn h SER 18 Ca 0.11 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1gvn h SER 18 Cb 0.39 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 1gvn h SER 18 CO 0.01 0.74 0.17 0.00 -0.87 0.00 0.00 176.83 176.87 1gvn h ALA 19 N 1.42 1.14 -0.18 5.18 0.00 -1.37 0.21 119.26 125.66 1gvn h ALA 19 Ca 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1gvn h ALA 19 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1gvn h ALA 19 CO -0.05 0.59 0.07 1.03 0.00 0.00 0.00 179.25 180.89 1gvn h SER 20 N 0.91 0.25 -0.16 0.00 0.87 -0.97 0.27 113.55 114.73 1gvn h SER 20 Ca 0.20 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 1gvn h SER 20 Cb 0.30 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1gvn h SER 20 CO -0.00 0.35 -0.11 0.58 -0.53 0.00 0.00 176.83 177.12 1gvn h VAL 21 N 0.13 1.33 -0.23 2.23 2.07 -1.02 -2.14 116.25 118.62 1gvn h VAL 21 Ca 0.06 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1gvn h VAL 21 Cb 0.18 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1gvn h VAL 21 CO -0.00 0.36 0.13 0.22 0.02 0.00 0.00 177.57 178.29 1gvn h TYR 22 N 0.00 0.31 -0.83 1.57 3.20 -0.59 -2.23 116.97 118.40 1gvn h TYR 22 Ca 0.03 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1gvn h TYR 22 Cb 0.61 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1gvn h TYR 22 CO 0.07 0.27 0.55 -0.91 -1.64 0.00 0.00 178.16 176.50 1gvn h ASN 23 N 0.26 0.95 -0.15 -2.11 2.35 -0.95 0.28 115.58 116.20 1gvn h ASN 23 Ca 0.08 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1gvn h ASN 23 Cb 0.06 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1gvn h ASN 23 CO -0.01 0.68 0.10 -0.09 -1.65 0.00 0.00 177.43 176.46 1gvn h ARG 24 N 1.12 0.21 -0.31 0.81 2.43 -1.10 0.92 114.38 118.45 1gvn h ARG 24 Ca 0.31 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 1gvn h ARG 24 Cb -0.11 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1gvn h ARG 24 CO -0.07 0.16 0.06 0.28 -1.51 0.00 0.00 179.97 178.89 1gvn h VAL 25 N 0.19 1.23 -0.22 0.20 2.07 -0.79 -2.14 116.25 116.79 1gvn h VAL 25 Ca 0.06 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1gvn h VAL 25 Cb 0.00 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1gvn h VAL 25 CO -0.01 0.26 0.12 0.25 0.02 0.00 0.00 177.57 178.21 1gvn h LEU 26 N 0.34 0.19 -0.66 2.57 5.85 -0.31 -1.20 115.31 122.09 1gvn h LEU 26 Ca 0.09 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.90 1gvn h LEU 26 Cb 0.33 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1gvn h LEU 26 CO 0.00 0.14 0.32 0.78 -0.34 0.00 0.00 178.44 179.35 1gvn h ASN 27 N 0.25 0.42 0.02 1.25 2.35 -0.72 -0.60 115.58 118.55 1gvn h ASN 27 Ca 0.09 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1gvn h ASN 27 Cb 0.01 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1gvn h ASN 27 CO -0.05 0.26 -0.01 0.22 -1.65 0.00 0.00 177.43 176.20 1gvn h TYR 28 N 0.57 -0.02 -0.55 1.19 5.03 -1.05 0.21 116.97 122.34 1gvn h TYR 28 Ca 0.32 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.68 1gvn h TYR 28 Cb 0.31 0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.54 1gvn h TYR 28 CO -0.11 0.15 0.28 0.28 -1.32 0.00 0.00 178.16 177.44 1gvn h VAL 29 N -0.19 0.95 -0.19 1.81 2.07 -0.87 0.60 116.25 120.43 1gvn h VAL 29 Ca -0.00 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 1gvn h VAL 29 Cb 0.18 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1gvn h VAL 29 CO 0.00 0.10 -0.15 -0.07 0.02 0.00 0.00 177.57 177.47 1gvn h LEU 30 N 0.54 0.46 -1.41 2.57 3.38 -1.01 -1.49 115.31 118.35 1gvn h LEU 30 Ca 0.25 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1gvn h LEU 30 Cb 0.15 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1gvn h LEU 30 CO -0.17 0.82 0.33 0.78 0.09 0.00 0.00 178.44 180.29 1gvn h ASN 31 N 0.11 0.64 -0.32 -0.43 2.35 -0.26 -1.12 115.58 116.53 1gvn h ASN 31 Ca 0.03 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1gvn h ASN 31 Cb 0.68 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1gvn h ASN 31 CO 0.04 0.49 0.00 1.41 -1.65 0.00 0.00 177.43 177.72 1gvn n HIS 32 N -4.43 0.43 -3.83 1.19 8.25 0.18 -3.23 115.22 113.77 1gvn n HIS 32 Ca 0.05 -0.21 -0.30 0.00 -0.26 0.00 0.00 57.72 57.00 1gvn n HIS 32 Cb 0.07 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.18 1gvn n HIS 32 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1gvn n GLU 33 N 0.62 -4.18 -2.51 -0.41 1.02 -0.43 -4.92 120.64 109.84 1gvn n GLU 33 Ca 0.15 0.50 -0.40 0.00 -0.02 0.00 0.00 57.16 57.39 1gvn n GLU 33 Cb 0.36 -5.30 -0.04 0.00 -0.02 0.00 0.00 31.44 26.44 1gvn n GLU 33 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1gvn s LEU 34 N -7.04 4.49 -0.33 -4.62 1.43 -0.61 -4.93 118.68 107.06 1gvn s LEU 34 Ca 0.61 2.20 -0.28 0.00 -1.03 0.00 0.00 54.13 55.63 1gvn s LEU 34 Cb -0.32 -3.72 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 1gvn s LEU 34 CO 0.75 -0.17 2.04 0.21 0.23 0.00 0.00 176.35 179.41 1gvn s ASN 35 N -1.03 5.47 0.44 2.29 3.84 -1.26 -4.83 114.94 119.87 1gvn s ASN 35 Ca 0.46 1.41 0.30 0.00 0.21 0.00 0.00 52.86 55.24 1gvn s ASN 35 Cb -0.30 -2.52 1.55 0.00 -0.55 0.00 0.00 41.25 39.43 1gvn s ASN 35 CO 0.38 -2.02 1.92 0.11 -2.79 0.00 0.00 177.10 174.69 1gvn h LYS 36 N 14.79 0.00 -0.68 0.43 1.57 -1.94 -1.57 116.57 129.17 1gvn h LYS 36 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1gvn h LYS 36 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1gvn h LYS 36 CO 1.04 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 180.01 1gvn n ASN 37 N -2.59 4.66 -4.10 0.86 3.02 -1.26 -4.75 115.26 111.11 1gvn n ASN 37 Ca -0.01 -2.36 -0.36 0.00 -0.03 0.00 0.00 54.58 51.81 1gvn n ASN 37 Cb 0.10 -0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 38.60 1gvn n ASN 37 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1gvn s ASP 38 N -0.91 5.23 0.00 6.41 -1.08 -0.59 -4.93 116.67 120.79 1gvn s ASP 38 Ca 0.52 -2.76 0.10 0.00 -0.52 0.00 0.00 52.55 49.89 1gvn s ASP 38 Cb 0.32 -1.85 0.48 0.00 -1.46 0.00 0.00 42.92 40.41 1gvn s ASP 38 CO 0.27 -0.39 1.22 -1.54 0.52 0.00 0.00 175.17 175.25 1gvn n SER 39 N 3.61 0.00 0.09 -0.34 3.41 -1.26 -2.10 113.62 117.03 1gvn n SER 39 Ca 0.07 0.22 -0.06 0.00 -0.26 0.00 0.00 58.87 58.83 1gvn n SER 39 Cb 0.38 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 1gvn n SER 39 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1gvn h GLN 40 N 0.00 0.05 -6.36 4.33 5.75 -1.95 -3.37 115.11 113.56 1gvn h GLN 40 Ca 0.00 -0.06 -0.54 0.00 -0.15 0.00 0.00 58.65 57.90 1gvn h GLN 40 Cb 0.11 0.02 0.01 0.00 1.07 0.00 0.00 27.48 28.68 1gvn h GLN 40 CO 0.00 0.89 1.01 -0.51 -2.65 0.00 0.00 178.83 177.57 1gvn s LEU 41 N -7.14 4.34 0.25 -2.39 1.43 -0.89 -4.89 118.68 109.39 1gvn s LEU 41 Ca -0.01 2.32 -0.04 0.00 -1.03 0.00 0.00 54.13 55.37 1gvn s LEU 41 Cb 0.11 -3.55 0.50 0.00 0.03 0.00 0.00 46.19 43.27 1gvn s LEU 41 CO 0.81 -0.87 1.69 0.25 0.23 0.00 0.00 176.35 178.45 1gvn h LEU 42 N 9.23 0.05 -0.75 1.79 5.85 -1.89 0.12 115.31 129.71 1gvn h LEU 42 Ca -0.40 0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.34 1gvn h LEU 42 Cb 1.19 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 1gvn h LEU 42 CO 0.93 -0.03 -0.61 -0.33 -0.34 0.00 0.00 178.44 178.06 1gvn h GLU 43 N 0.28 0.00 0.03 1.25 3.07 -1.93 -2.12 114.58 115.16 1gvn h GLU 43 Ca 0.43 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 59.06 1gvn h GLU 43 Cb 0.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1gvn h GLU 43 CO -0.52 0.61 -1.00 0.28 -1.40 0.00 0.00 179.01 176.99 1gvn h VAL 44 N 0.00 1.44 -0.61 3.13 2.07 -1.58 -1.60 116.25 119.10 1gvn h VAL 44 Ca -0.01 -2.60 -0.02 0.00 0.82 0.00 0.00 66.70 64.89 1gvn h VAL 44 Cb 1.10 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 33.38 1gvn h VAL 44 CO 0.08 0.77 0.30 -1.13 0.02 0.00 0.00 177.57 177.61 1gvn h ASN 45 N 0.18 0.78 -0.37 0.57 -0.73 -0.63 -0.57 115.58 114.81 1gvn h ASN 45 Ca -0.09 -0.12 -0.03 0.00 1.87 0.00 0.00 56.30 57.94 1gvn h ASN 45 Cb 1.65 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 40.02 1gvn h ASN 45 CO 0.17 0.68 0.13 0.25 -0.37 0.00 0.00 177.43 178.30 1gvn h LEU 46 N 0.83 0.53 -0.57 0.34 5.85 -1.33 -1.40 115.31 119.57 1gvn h LEU 46 Ca 0.21 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1gvn h LEU 46 Cb 0.10 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 1gvn h LEU 46 CO -0.03 0.57 0.25 0.25 -0.34 0.00 0.00 178.44 179.14 1gvn h LEU 47 N 0.45 0.32 -1.09 2.25 5.85 -0.89 -0.50 115.31 121.70 1gvn h LEU 47 Ca 0.12 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1gvn h LEU 47 Cb 0.22 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1gvn h LEU 47 CO -0.01 0.21 -0.02 0.78 -0.34 0.00 0.00 178.44 179.07 1gvn h ASN 48 N 0.48 0.59 -0.31 1.25 2.35 -0.82 -0.14 115.58 118.97 1gvn h ASN 48 Ca 0.27 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.79 1gvn h ASN 48 Cb 0.24 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1gvn h ASN 48 CO -0.22 0.67 -0.14 1.56 -1.65 0.00 0.00 177.43 177.64 1gvn h GLN 49 N 0.59 0.76 -0.37 0.81 4.20 -0.43 -1.77 115.11 118.88 1gvn h GLN 49 Ca 0.12 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.46 1gvn h GLN 49 Cb 0.40 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1gvn h GLN 49 CO 0.02 0.86 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.76 1gvn h LEU 50 N 0.68 0.72 -0.76 1.46 3.38 -0.44 -0.57 115.31 119.78 1gvn h LEU 50 Ca 0.11 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1gvn h LEU 50 Cb 0.63 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1gvn h LEU 50 CO 0.04 0.92 0.36 0.11 0.09 0.00 0.00 178.44 179.97 1gvn h LYS 51 N 0.63 1.10 -0.61 1.13 1.57 -0.76 -1.35 116.57 118.28 1gvn h LYS 51 Ca 0.09 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1gvn h LYS 51 Cb 0.69 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1gvn h LYS 51 CO 0.05 0.86 0.19 1.25 -0.57 0.00 0.00 179.45 181.23 1gvn h LEU 52 N 1.08 0.90 -1.02 2.94 6.46 -0.81 -2.71 115.31 122.14 1gvn h LEU 52 Ca 0.26 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1gvn h LEU 52 Cb 0.13 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 39.78 1gvn h LEU 52 CO -0.03 0.87 0.50 0.00 -0.62 0.00 0.00 178.44 179.16 1gvn h ALA 53 N 1.06 1.26 0.00 1.25 0.00 -0.62 -2.76 119.26 119.46 1gvn h ALA 53 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1gvn h ALA 53 Cb 0.29 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1gvn h ALA 53 CO -0.01 0.62 0.00 1.63 0.00 0.00 0.00 179.25 181.49 1gvn n LYS 54 N -4.36 0.08 0.04 0.00 5.02 -0.55 -3.45 118.16 114.93 1gvn n LYS 54 Ca 0.09 0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.62 1gvn n LYS 54 Cb 0.08 -1.50 0.51 0.00 -0.02 0.00 0.00 35.03 34.09 1gvn n LYS 54 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1gvn n ARG 55 N -1.45 0.08 -2.37 1.97 1.74 -1.04 -4.88 116.66 110.71 1gvn n ARG 55 Ca 0.07 0.13 -0.33 0.00 -0.77 0.00 0.00 57.85 56.94 1gvn n ARG 55 Cb 0.24 -1.60 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 1gvn n ARG 55 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1gvn s VAL 56 N -3.05 3.89 -0.54 1.55 -7.23 -1.22 -5.01 120.40 108.78 1gvn s VAL 56 Ca 0.11 1.05 -0.17 0.00 -1.81 0.00 0.00 61.98 61.16 1gvn s VAL 56 Cb 0.15 -3.46 0.11 0.00 0.56 0.00 0.00 36.38 33.74 1gvn s VAL 56 CO 0.49 -0.38 0.55 0.21 -0.31 0.00 0.00 175.10 175.66 1gvn s ASN 57 N -2.38 6.18 0.63 4.85 2.47 -1.26 -4.93 114.94 120.51 1gvn s ASN 57 Ca 0.65 -1.60 0.41 0.00 0.42 0.00 0.00 52.86 52.74 1gvn s ASN 57 Cb -0.15 -2.24 2.12 0.00 -1.45 0.00 0.00 41.25 39.53 1gvn s ASN 57 CO 0.27 -0.90 2.26 -0.07 -3.72 0.00 0.00 177.10 174.93 1gvn h LEU 58 N 9.21 0.00 0.00 3.21 3.38 -1.97 -2.23 115.31 126.91 1gvn h LEU 58 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1gvn h LEU 58 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1gvn h LEU 58 CO 1.03 0.00 0.00 0.49 0.09 0.00 0.00 178.44 180.06 1gvn n PHE 59 N -3.12 0.00 1.04 1.13 3.72 -1.26 -2.21 117.46 116.75 1gvn n PHE 59 Ca -0.02 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.49 1gvn n PHE 59 Cb 0.14 -0.49 0.05 0.00 -0.94 0.00 0.00 39.48 38.24 1gvn n PHE 59 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1gvn n ASP 60 N -1.49 1.86 -4.86 4.37 2.03 -0.84 -4.97 116.55 112.65 1gvn n ASP 60 Ca 0.04 -1.41 -0.33 0.00 0.52 0.00 0.00 54.79 53.61 1gvn n ASP 60 Cb 0.19 0.44 -0.06 0.00 -0.72 0.00 0.00 41.12 40.97 1gvn n ASP 60 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1gvn s TYR 61 N -2.49 3.45 0.85 -0.67 1.51 -0.94 -5.09 117.35 113.98 1gvn s TYR 61 Ca 0.19 0.98 -0.12 0.00 -1.01 0.00 0.00 57.07 57.11 1gvn s TYR 61 Cb 0.18 -2.34 0.10 0.00 -0.11 0.00 0.00 41.96 39.80 1gvn s TYR 61 CO 0.57 0.27 1.15 -1.54 -1.11 0.00 0.00 175.55 174.89 1gvn s SER 62 N -2.22 4.06 0.28 2.29 1.04 -1.26 -4.82 113.70 113.07 1gvn s SER 62 Ca 0.47 0.93 -0.03 0.00 0.48 0.00 0.00 55.95 57.80 1gvn s SER 62 Cb -0.12 -1.50 0.39 0.00 0.10 0.00 0.00 66.02 64.90 1gvn s SER 62 CO 0.20 -2.20 1.90 0.25 0.98 0.00 0.00 173.24 174.37 1gvn h LEU 63 N -1.26 0.92 -0.60 2.42 5.85 -1.98 -0.80 115.31 119.86 1gvn h LEU 63 Ca -0.48 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.09 1gvn h LEU 63 Cb 1.32 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1gvn h LEU 63 CO 0.63 0.75 0.12 -0.33 -0.34 0.00 0.00 178.44 179.27 1gvn h GLU 64 N 1.03 0.98 -0.21 1.25 3.07 -1.99 -1.18 114.58 117.53 1gvn h GLU 64 Ca 0.26 -0.25 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 1gvn h GLU 64 Cb 0.04 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1gvn h GLU 64 CO -0.04 0.91 -0.27 0.93 -1.40 0.00 0.00 179.01 179.14 1gvn h GLU 65 N 0.88 0.40 -0.29 2.33 5.08 -1.78 -2.14 114.58 119.05 1gvn h GLU 65 Ca 0.18 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1gvn h GLU 65 Cb 0.39 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1gvn h GLU 65 CO 0.01 0.64 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.22 1gvn h LEU 66 N 0.35 0.70 -0.98 1.33 3.38 -0.75 -1.05 115.31 118.29 1gvn h LEU 66 Ca 0.05 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 1gvn h LEU 66 Cb 0.66 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1gvn h LEU 66 CO 0.05 1.00 -0.38 1.56 0.09 0.00 0.00 178.44 180.76 1gvn h GLN 67 N 0.56 0.25 -0.25 1.13 4.20 -0.96 0.14 115.11 120.19 1gvn h GLN 67 Ca 0.05 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 1gvn h GLN 67 Cb 0.88 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 1gvn h GLN 67 CO 0.08 0.60 -0.22 0.00 -0.67 0.00 0.00 178.83 178.62 1gvn h ALA 68 N 1.40 0.36 -0.93 3.87 0.00 -1.12 -1.64 119.26 121.20 1gvn h ALA 68 Ca 0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1gvn h ALA 68 Cb 0.77 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1gvn h ALA 68 CO 0.06 0.31 0.55 0.28 0.00 0.00 0.00 179.25 180.44 1gvn h VAL 69 N 0.29 1.26 -0.75 0.00 2.07 -0.74 -0.20 116.25 118.17 1gvn h VAL 69 Ca 0.04 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1gvn h VAL 69 Cb 0.76 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1gvn h VAL 69 CO 0.05 0.27 0.48 -0.74 0.02 0.00 0.00 177.57 177.66 1gvn h HIS 70 N 1.28 0.96 -0.46 1.57 6.17 -0.55 -1.80 115.15 122.32 1gvn h HIS 70 Ca 0.33 0.01 -0.09 0.00 0.71 0.00 0.00 60.37 61.33 1gvn h HIS 70 Cb -0.04 -0.32 -0.02 0.00 2.52 0.00 0.00 27.41 29.55 1gvn h HIS 70 CO 0.01 0.62 -0.10 1.49 0.71 0.00 0.00 177.93 180.66 1gvn h GLU 71 N 1.02 0.82 -0.34 5.26 4.57 -0.50 -1.94 114.58 123.47 1gvn h GLU 71 Ca 0.27 -0.27 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1gvn h GLU 71 Cb -0.09 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.37 1gvn h GLU 71 CO -0.06 0.89 -0.10 -0.92 -1.18 0.00 0.00 179.01 177.64 1gvn h TYR 72 N 0.74 -0.23 0.00 0.92 3.20 -0.25 0.14 116.97 121.49 1gvn h TYR 72 Ca 0.13 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 1gvn h TYR 72 Cb 0.59 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1gvn h TYR 72 CO 0.03 -0.17 -0.38 -1.49 -1.64 0.00 0.00 178.16 174.51 1gvn h TRP 73 N -0.03 0.00 -0.23 -3.82 4.06 -1.13 -0.20 115.95 114.60 1gvn h TRP 73 Ca 0.16 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.06 1gvn h TRP 73 Cb 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 1gvn h TRP 73 CO -0.33 0.38 -0.08 0.00 -3.56 0.00 0.00 178.44 174.86 1gvn h ARG 74 N 0.00 0.46 -0.69 0.49 3.08 -0.45 -0.19 114.38 117.09 1gvn h ARG 74 Ca -0.00 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 1gvn h ARG 74 Cb 0.69 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1gvn h ARG 74 CO 0.05 0.71 0.15 0.66 -1.07 0.00 0.00 179.97 180.48 1gvn h SER 75 N 0.19 1.05 0.81 7.04 4.64 -0.35 -1.67 113.55 125.26 1gvn h SER 75 Ca 0.06 -0.23 -0.07 0.00 -0.47 0.00 0.00 61.79 61.08 1gvn h SER 75 Cb 0.55 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1gvn h SER 75 CO 0.03 1.01 -0.32 0.24 -0.87 0.00 0.00 176.83 176.92 1gvn h MET 76 N 1.05 0.00 -0.22 4.77 2.86 -0.98 0.15 114.93 122.55 1gvn h MET 76 Ca 0.22 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1gvn h MET 76 Cb 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1gvn h MET 76 CO 0.00 0.32 0.02 -0.97 1.06 0.00 0.00 176.91 177.35 1gvn h ASN 77 N 0.00 0.36 -0.01 1.22 -1.24 -0.34 0.29 115.58 115.87 1gvn h ASN 77 Ca -0.00 -0.28 -0.00 0.00 0.71 0.00 0.00 56.30 56.73 1gvn h ASN 77 Cb 0.81 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.76 1gvn h ASN 77 CO 0.04 0.55 0.00 0.03 -1.29 0.00 0.00 177.43 176.76 1gvn h ARG 78 N 0.17 0.02 -0.56 6.67 3.08 -0.92 -3.07 114.38 119.77 1gvn h ARG 78 Ca 0.07 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1gvn h ARG 78 Cb 0.35 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1gvn h ARG 78 CO 0.01 0.28 0.31 -0.92 -1.07 0.00 0.00 179.97 178.58 1gvn h TYR 79 N -0.25 0.76 -0.96 3.04 3.20 -0.66 -2.96 116.97 119.14 1gvn h TYR 79 Ca 0.00 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1gvn h TYR 79 Cb 0.27 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 1gvn h TYR 79 CO 0.02 0.55 0.63 0.66 -1.64 0.00 0.00 178.16 178.38 1gvn h SER 80 N 0.75 1.08 0.01 -2.11 4.64 -0.98 -1.10 113.55 115.84 1gvn h SER 80 Ca 0.20 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1gvn h SER 80 Cb 0.04 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1gvn h SER 80 CO -0.03 0.76 -0.00 0.11 -0.87 0.00 0.00 176.83 176.80 1gvn h LYS 81 N 1.27 0.00 0.00 4.77 1.57 -1.42 -2.15 116.57 120.61 1gvn h LYS 81 Ca 0.37 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.04 1gvn h LYS 81 Cb -0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1gvn h LYS 81 CO -0.10 0.00 -0.58 0.37 -0.57 0.00 0.00 179.45 178.58 1gvn h GLN 82 N 0.00 0.00 0.00 3.15 4.15 -1.20 -3.38 115.11 117.82 1gvn h GLN 82 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 1gvn h GLN 82 Cb 0.01 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1gvn h GLN 82 CO 0.00 0.99 -0.33 -0.39 -1.93 0.00 0.00 178.83 177.17 1gvn h VAL 83 N -1.00 1.15 0.00 2.39 -1.51 -1.27 -3.33 116.25 112.68 1gvn h VAL 83 Ca -0.16 -1.17 -0.68 0.00 -1.23 0.00 0.00 66.70 63.46 1gvn h VAL 83 Cb 1.13 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.93 1gvn h VAL 83 CO -0.10 0.33 2.95 0.18 -1.23 0.00 0.00 177.57 179.69 1gvn n LEU 84 N -4.02 6.19 -0.06 4.19 4.77 -0.82 -4.54 117.00 122.72 1gvn n LEU 84 Ca -0.02 -3.79 -0.22 0.00 -0.03 0.00 0.00 56.01 51.96 1gvn n LEU 84 Cb 0.39 -1.49 -0.13 0.00 -2.33 0.00 0.00 43.42 39.86 1gvn n LEU 84 CO 0.38 0.76 -0.74 -3.20 -1.33 0.00 0.00 177.39 173.26 1gvn n ASN 85 N 6.26 1.99 -4.71 -1.43 5.15 -1.25 -4.95 115.26 116.32 1gvn n ASN 85 Ca 0.53 0.30 -0.41 0.00 -0.60 0.00 0.00 54.58 54.40 1gvn n ASN 85 Cb 0.38 -0.89 0.01 0.00 -0.53 0.00 0.00 39.78 38.74 1gvn n ASN 85 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1gvn n LYS 86 N -3.94 2.04 -0.62 1.20 5.02 -1.26 -5.02 118.16 115.57 1gvn n LYS 86 Ca -0.34 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1gvn n LYS 86 Cb 0.87 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 1gvn n LYS 86 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1gvn n GLU 87 N 0.10 0.83 0.00 1.97 2.13 -1.26 -5.08 120.64 119.33 1gvn n GLU 87 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1gvn n GLU 87 Cb 0.39 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.10 1gvn n GLU 87 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1gvn n LYS 88 N -0.91 0.00 -1.35 5.31 2.85 -1.26 -4.80 118.16 117.99 1gvn n LYS 88 Ca 0.00 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.88 1gvn n LYS 88 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 1gvn n LYS 88 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1gvn n VAL 89 N 1.23 4.35 0.00 0.58 0.24 -1.26 -5.02 118.33 118.45 1gvn n VAL 89 Ca 0.00 -2.68 0.00 0.00 -2.04 0.00 0.00 64.34 59.62 1gvn n VAL 89 Cb 0.00 -2.55 0.00 0.00 -1.47 0.00 0.00 33.84 29.82 1gvn n VAL 89 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69