#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gvn s VAL 3 N 0.00 0.27 0.16 0.00 -7.23 -1.26 -5.17 120.40 107.18 1gvn s VAL 3 Ca 0.00 -1.97 0.08 0.00 -1.81 0.00 0.00 61.98 58.28 1gvn s VAL 3 Cb 0.00 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 1gvn s VAL 3 CO 0.00 -0.25 -0.06 0.42 -0.31 0.00 0.00 175.10 174.90 1gvn s THR 4 N -3.95 3.45 0.17 5.32 -4.23 -1.26 -5.03 115.64 110.10 1gvn s THR 4 Ca 0.31 -1.49 -0.11 0.00 -1.18 0.00 0.00 61.69 59.22 1gvn s THR 4 Cb 0.07 -2.70 0.06 0.00 1.34 0.00 0.00 72.50 71.27 1gvn s THR 4 CO 0.07 -0.07 1.66 0.22 -0.54 0.00 0.00 174.62 175.96 1gvn h TYR 5 N 2.95 1.02 -0.72 3.99 3.20 -2.02 -1.29 116.97 124.09 1gvn h TYR 5 Ca -0.47 -0.14 0.06 0.00 3.14 0.00 0.00 58.73 61.31 1gvn h TYR 5 Cb 1.20 -0.28 -0.06 0.00 1.54 0.00 0.00 36.73 39.13 1gvn h TYR 5 CO 0.63 0.89 0.42 1.49 -1.64 0.00 0.00 178.16 179.95 1gvn h GLU 6 N 0.86 0.75 -0.04 1.82 4.81 -1.99 0.13 114.58 120.92 1gvn h GLU 6 Ca 0.18 -0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 59.12 1gvn h GLU 6 Cb 0.42 -0.17 0.02 0.00 0.63 0.00 0.00 28.75 29.65 1gvn h GLU 6 CO 0.01 0.50 -0.92 0.87 -0.73 0.00 0.00 179.01 178.74 1gvn h LYS 7 N 0.77 0.69 0.00 1.92 1.57 -1.94 -2.45 116.57 117.14 1gvn h LYS 7 Ca 0.32 -0.69 -0.05 0.00 -1.87 0.00 0.00 60.65 58.35 1gvn h LYS 7 Cb 0.18 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1gvn h LYS 7 CO -0.18 1.28 -0.26 1.79 -0.57 0.00 0.00 179.45 181.52 1gvn h THR 8 N 0.37 0.86 -0.22 -0.16 1.35 -0.97 -0.71 112.91 113.43 1gvn h THR 8 Ca -0.10 -1.01 -0.18 0.00 -0.55 0.00 0.00 66.41 64.57 1gvn h THR 8 Cb 1.57 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 1gvn h THR 8 CO 0.18 0.25 -0.55 0.15 -0.25 0.00 0.00 175.52 175.31 1gvn h PHE 9 N 0.00 0.97 -0.87 4.73 3.04 -0.71 -1.87 116.94 122.23 1gvn h PHE 9 Ca -0.00 -0.37 -0.01 0.00 3.98 0.00 0.00 57.97 61.56 1gvn h PHE 9 Cb 0.58 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.88 1gvn h PHE 9 CO 0.00 1.18 0.50 0.93 -2.02 0.00 0.00 178.31 178.90 1gvn h GLU 10 N 0.49 1.20 -0.61 1.11 4.39 -0.90 -2.09 114.58 118.17 1gvn h GLU 10 Ca -0.01 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 1gvn h GLU 10 Cb 1.16 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 1gvn h GLU 10 CO 0.12 0.86 0.06 0.82 -1.16 0.00 0.00 179.01 179.71 1gvn h ILE 11 N 1.21 1.26 -0.29 3.13 2.04 -1.04 -0.40 117.51 123.41 1gvn h ILE 11 Ca 0.31 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1gvn h ILE 11 Cb -0.01 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1gvn h ILE 11 CO -0.05 0.39 0.13 -0.08 0.00 0.00 0.00 178.15 178.54 1gvn h GLU 12 N 0.95 0.43 -0.50 2.37 4.22 -0.94 0.05 114.58 121.16 1gvn h GLU 12 Ca 0.18 -0.07 -0.02 0.00 0.08 0.00 0.00 59.36 59.53 1gvn h GLU 12 Cb 0.47 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1gvn h GLU 12 CO 0.02 0.43 0.22 0.82 -2.18 0.00 0.00 179.01 178.32 1gvn h ILE 13 N 0.33 1.20 -0.51 2.32 1.08 -1.23 -2.14 117.51 118.57 1gvn h ILE 13 Ca 0.10 -0.61 0.01 0.00 -0.39 0.00 0.00 64.86 63.98 1gvn h ILE 13 Cb 0.14 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 1gvn h ILE 13 CO -0.01 0.23 0.33 0.40 -0.69 0.00 0.00 178.15 178.41 1gvn h ILE 14 N 0.67 1.10 -0.76 -0.67 2.04 -0.80 -0.38 117.51 118.72 1gvn h ILE 14 Ca 0.17 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1gvn h ILE 14 Cb 0.16 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1gvn h ILE 14 CO -0.02 0.12 0.48 0.78 0.00 0.00 0.00 178.15 179.51 1gvn h ASN 15 N 0.66 0.89 -0.04 1.72 -0.26 -0.69 0.10 115.58 117.96 1gvn h ASN 15 Ca 0.20 -0.04 -0.10 0.00 -0.56 0.00 0.00 56.30 55.80 1gvn h ASN 15 Cb -0.04 -0.22 0.01 0.00 -1.06 0.00 0.00 38.32 37.00 1gvn h ASN 15 CO -0.06 0.67 -0.38 -0.33 -1.06 0.00 0.00 177.43 176.26 1gvn h GLU 16 N 1.04 0.33 -0.32 0.81 5.08 -1.00 -2.99 114.58 117.53 1gvn h GLU 16 Ca 0.28 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1gvn h GLU 16 Cb -0.08 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1gvn h GLU 16 CO -0.06 0.96 0.10 1.25 -1.00 0.00 0.00 179.01 180.27 1gvn h LEU 17 N -0.20 0.46 -1.23 1.33 5.85 -0.86 -2.69 115.31 117.97 1gvn h LEU 17 Ca -0.04 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1gvn h LEU 17 Cb 1.06 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 1gvn h LEU 17 CO 0.08 0.55 0.32 0.77 -0.34 0.00 0.00 178.44 179.81 1gvn h SER 18 N 0.36 0.76 -0.23 1.25 4.64 -0.91 -1.72 113.55 117.70 1gvn h SER 18 Ca 0.10 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1gvn h SER 18 Cb 0.25 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1gvn h SER 18 CO -0.00 0.63 0.13 0.00 -0.87 0.00 0.00 176.83 176.72 1gvn h ALA 19 N 1.50 0.29 -0.37 5.18 0.00 -1.36 0.98 119.26 125.48 1gvn h ALA 19 Ca 0.22 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1gvn h ALA 19 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1gvn h ALA 19 CO -0.03 -0.20 0.20 1.03 0.00 0.00 0.00 179.25 180.26 1gvn h SER 20 N 0.28 0.32 -0.06 0.00 0.87 -1.09 0.10 113.55 113.97 1gvn h SER 20 Ca 0.08 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1gvn h SER 20 Cb 0.03 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1gvn h SER 20 CO -0.01 0.23 0.00 0.58 -0.53 0.00 0.00 176.83 177.10 1gvn h VAL 21 N 0.42 1.25 -0.27 2.23 2.07 -1.15 -2.31 116.25 118.50 1gvn h VAL 21 Ca 0.15 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1gvn h VAL 21 Cb 0.03 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1gvn h VAL 21 CO -0.08 0.21 0.17 0.22 0.02 0.00 0.00 177.57 178.11 1gvn h TYR 22 N -0.19 0.34 -0.85 1.57 3.20 -0.68 -2.62 116.97 117.73 1gvn h TYR 22 Ca 0.02 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1gvn h TYR 22 Cb 0.33 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 1gvn h TYR 22 CO 0.03 0.23 0.54 -0.91 -1.64 0.00 0.00 178.16 176.41 1gvn h ASN 23 N 0.35 0.88 -0.63 -2.11 2.35 -0.80 0.99 115.58 116.62 1gvn h ASN 23 Ca 0.10 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.90 1gvn h ASN 23 Cb -0.02 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.11 1gvn h ASN 23 CO -0.02 0.59 0.35 -0.09 -1.65 0.00 0.00 177.43 176.61 1gvn h ARG 24 N 1.03 0.65 -0.08 0.81 2.43 -1.11 0.21 114.38 118.33 1gvn h ARG 24 Ca 0.35 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.38 1gvn h ARG 24 Cb 0.07 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1gvn h ARG 24 CO -0.14 0.43 -0.37 0.28 -1.51 0.00 0.00 179.97 178.66 1gvn h VAL 25 N 0.67 1.41 -0.33 0.20 2.07 -1.07 -2.83 116.25 116.36 1gvn h VAL 25 Ca 0.27 -1.76 0.04 0.00 0.82 0.00 0.00 66.70 66.07 1gvn h VAL 25 Cb 0.14 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 1gvn h VAL 25 CO -0.16 0.51 0.12 0.25 0.02 0.00 0.00 177.57 178.31 1gvn h LEU 26 N -0.09 0.13 -0.59 2.57 5.85 -0.59 -1.43 115.31 121.16 1gvn h LEU 26 Ca -0.03 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1gvn h LEU 26 Cb 1.03 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 1gvn h LEU 26 CO 0.08 0.11 0.25 0.78 -0.34 0.00 0.00 178.44 179.32 1gvn h ASN 27 N 0.26 0.29 -0.24 1.25 2.35 -0.62 -0.18 115.58 118.71 1gvn h ASN 27 Ca 0.15 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1gvn h ASN 27 Cb 0.12 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1gvn h ASN 27 CO -0.15 0.18 0.07 0.22 -1.65 0.00 0.00 177.43 176.10 1gvn h TYR 28 N 0.46 0.38 -0.52 1.19 5.03 -1.20 -0.37 116.97 121.94 1gvn h TYR 28 Ca 0.29 -0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.59 1gvn h TYR 28 Cb 0.31 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.45 1gvn h TYR 28 CO -0.14 0.44 0.31 0.28 -1.32 0.00 0.00 178.16 177.72 1gvn h VAL 29 N 0.21 1.04 -0.35 1.81 2.07 -0.79 -2.88 116.25 117.37 1gvn h VAL 29 Ca 0.08 -0.21 -0.17 0.00 0.82 0.00 0.00 66.70 67.22 1gvn h VAL 29 Cb 0.24 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1gvn h VAL 29 CO -0.00 0.11 -0.45 -0.07 0.02 0.00 0.00 177.57 177.18 1gvn h LEU 30 N 0.61 0.99 0.00 2.57 3.38 -0.90 -1.77 115.31 120.18 1gvn h LEU 30 Ca 0.21 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1gvn h LEU 30 Cb 0.04 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1gvn h LEU 30 CO -0.10 1.28 0.00 0.59 0.09 0.00 0.00 178.44 180.30 1gvn n ASN 31 N -4.04 0.00 0.00 -0.43 3.02 -0.16 -1.96 115.26 111.69 1gvn n ASN 31 Ca -0.03 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 1gvn n ASN 31 Cb 0.58 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1gvn n ASN 31 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1gvn n HIS 32 N -1.03 0.00 -3.66 3.10 8.25 -1.10 -5.05 115.22 115.74 1gvn n HIS 32 Ca 0.22 -0.13 -0.27 0.00 -0.26 0.00 0.00 57.72 57.29 1gvn n HIS 32 Cb 0.12 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 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 -0.13 -3.08 -2.56 -0.41 -0.58 -0.83 -4.93 120.64 108.13 1gvn n GLU 33 Ca 0.00 0.38 -0.37 0.00 -0.42 0.00 0.00 57.16 56.75 1gvn n GLU 33 Cb 0.08 -5.07 -0.04 0.00 -0.57 0.00 0.00 31.44 25.83 1gvn n GLU 33 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1gvn s LEU 34 N -6.68 4.26 -0.39 -4.62 1.43 -0.68 -4.95 118.68 107.06 1gvn s LEU 34 Ca 0.51 2.06 -0.28 0.00 -1.03 0.00 0.00 54.13 55.39 1gvn s LEU 34 Cb -0.28 -4.03 -0.01 0.00 0.03 0.00 0.00 46.19 41.89 1gvn s LEU 34 CO 0.63 -0.35 1.75 0.21 0.23 0.00 0.00 176.35 178.82 1gvn s ASN 35 N -1.42 5.86 0.29 2.29 3.84 -1.26 -4.82 114.94 119.72 1gvn s ASN 35 Ca 0.54 1.08 0.19 0.00 0.21 0.00 0.00 52.86 54.88 1gvn s ASN 35 Cb -0.24 -2.53 1.05 0.00 -0.55 0.00 0.00 41.25 38.98 1gvn s ASN 35 CO 0.30 -1.77 1.59 0.29 -2.79 0.00 0.00 177.10 174.72 1gvn n LYS 36 N 8.49 0.13 -0.60 0.43 5.02 -1.26 -0.95 118.16 129.42 1gvn n LYS 36 Ca 0.21 0.62 0.09 0.00 -2.02 0.00 0.00 58.31 57.21 1gvn n LYS 36 Cb 0.48 -1.91 0.34 0.00 -0.02 0.00 0.00 35.03 33.92 1gvn n LYS 36 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1gvn n ASN 37 N -2.18 4.56 -3.98 4.39 3.02 -1.26 -4.73 115.26 115.08 1gvn n ASN 37 Ca -0.01 -2.44 -0.31 0.00 -0.03 0.00 0.00 54.58 51.79 1gvn n ASN 37 Cb 0.03 -0.57 -0.12 0.00 -0.61 0.00 0.00 39.78 38.51 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 -0.86 4.81 0.00 6.41 -1.08 -0.12 -4.93 116.67 120.89 1gvn s ASP 38 Ca 0.48 -3.31 0.08 0.00 -0.52 0.00 0.00 52.55 49.29 1gvn s ASP 38 Cb 0.31 -1.71 0.48 0.00 -1.46 0.00 0.00 42.92 40.54 1gvn s ASP 38 CO 0.23 -0.21 1.00 -1.54 0.52 0.00 0.00 175.17 175.17 1gvn n SER 39 N 2.76 0.00 0.09 -0.34 3.41 -1.26 -2.01 113.62 116.28 1gvn n SER 39 Ca 0.11 -0.16 -0.03 0.00 -0.26 0.00 0.00 58.87 58.53 1gvn n SER 39 Cb 0.34 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.00 -6.54 4.33 5.75 -1.96 -3.38 115.11 113.32 1gvn h GLN 40 Ca 0.00 0.00 -0.53 0.00 -0.15 0.00 0.00 58.65 57.97 1gvn h GLN 40 Cb 0.02 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.59 1gvn h GLN 40 CO 0.00 0.80 0.67 -0.51 -2.65 0.00 0.00 178.83 177.14 1gvn s LEU 41 N -6.73 4.37 0.20 -2.39 1.43 -0.85 -4.92 118.68 109.79 1gvn s LEU 41 Ca 0.02 2.24 -0.14 0.00 -1.03 0.00 0.00 54.13 55.22 1gvn s LEU 41 Cb 0.10 -3.59 0.21 0.00 0.03 0.00 0.00 46.19 42.94 1gvn s LEU 41 CO 0.79 -0.59 1.65 0.25 0.23 0.00 0.00 176.35 178.67 1gvn h LEU 42 N 6.71 -0.46 -0.80 1.79 5.85 -1.89 -0.09 115.31 126.41 1gvn h LEU 42 Ca -0.42 0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.34 1gvn h LEU 42 Cb 1.21 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.56 1gvn h LEU 42 CO 0.84 -0.17 -0.43 -0.33 -0.34 0.00 0.00 178.44 178.01 1gvn h GLU 43 N 0.02 0.38 -0.14 1.25 3.07 -1.95 -1.98 114.58 115.22 1gvn h GLU 43 Ca 0.28 -0.19 -0.23 0.00 -0.50 0.00 0.00 59.36 58.71 1gvn h GLU 43 Cb 0.43 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1gvn h GLU 43 CO -0.56 0.74 -0.82 0.28 -1.40 0.00 0.00 179.01 177.26 1gvn h VAL 44 N 0.31 1.27 -0.66 3.13 2.07 -1.72 -0.73 116.25 119.92 1gvn h VAL 44 Ca 0.02 -2.00 -0.00 0.00 0.82 0.00 0.00 66.70 65.54 1gvn h VAL 44 Cb 0.89 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 1gvn h VAL 44 CO 0.07 0.64 0.40 -1.13 0.02 0.00 0.00 177.57 177.56 1gvn h ASN 45 N 0.53 0.80 -0.42 0.57 -0.73 -0.97 0.46 115.58 115.81 1gvn h ASN 45 Ca -0.06 -0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.02 1gvn h ASN 45 Cb 1.45 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.82 1gvn h ASN 45 CO 0.17 0.63 0.17 0.25 -0.37 0.00 0.00 177.43 178.27 1gvn h LEU 46 N 0.90 0.58 -0.68 0.34 5.85 -1.28 -1.75 115.31 119.28 1gvn h LEU 46 Ca 0.24 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1gvn h LEU 46 Cb -0.02 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 1gvn h LEU 46 CO -0.04 0.59 0.37 0.25 -0.34 0.00 0.00 178.44 179.27 1gvn h LEU 47 N 0.54 0.54 -1.09 2.25 5.85 -0.45 -1.32 115.31 121.63 1gvn h LEU 47 Ca 0.14 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1gvn h LEU 47 Cb 0.19 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1gvn h LEU 47 CO -0.01 0.34 -0.12 0.78 -0.34 0.00 0.00 178.44 179.10 1gvn h ASN 48 N 0.67 0.49 -0.51 1.25 -0.26 -0.61 -1.02 115.58 115.60 1gvn h ASN 48 Ca 0.31 -0.13 -0.09 0.00 -0.56 0.00 0.00 56.30 55.83 1gvn h ASN 48 Cb 0.22 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 1gvn h ASN 48 CO -0.20 0.64 -0.05 1.56 -1.06 0.00 0.00 177.43 178.33 1gvn h GLN 49 N 0.47 0.93 -0.31 0.81 4.20 -0.47 -2.06 115.11 118.69 1gvn h GLN 49 Ca 0.09 -0.32 -0.08 0.00 0.06 0.00 0.00 58.65 58.39 1gvn h GLN 49 Cb 0.49 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1gvn h GLN 49 CO 0.03 0.98 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.94 1gvn h LEU 50 N 0.80 0.53 -0.53 1.46 3.38 -0.90 -0.60 115.31 119.44 1gvn h LEU 50 Ca 0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1gvn h LEU 50 Cb 0.59 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1gvn h LEU 50 CO 0.04 0.71 0.21 0.11 0.09 0.00 0.00 178.44 179.59 1gvn h LYS 51 N 0.49 0.80 -0.67 1.13 1.57 -0.96 -0.60 116.57 118.34 1gvn h LYS 51 Ca 0.09 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1gvn h LYS 51 Cb 0.56 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1gvn h LYS 51 CO 0.04 0.70 0.23 1.25 -0.57 0.00 0.00 179.45 181.10 1gvn h LEU 52 N 0.72 0.95 -0.83 2.94 5.85 -0.90 -2.42 115.31 121.62 1gvn h LEU 52 Ca 0.18 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1gvn h LEU 52 Cb 0.21 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1gvn h LEU 52 CO -0.01 0.89 0.19 0.00 -0.34 0.00 0.00 178.44 179.17 1gvn h ALA 53 N 1.10 1.05 0.00 1.25 0.00 -0.75 -3.10 119.26 118.81 1gvn h ALA 53 Ca 0.22 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1gvn h ALA 53 Cb 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1gvn h ALA 53 CO -0.01 0.63 -0.40 0.87 0.00 0.00 0.00 179.25 180.35 1gvn h LYS 54 N 1.02 0.00 0.00 0.00 1.57 -0.89 -3.30 116.57 114.97 1gvn h LYS 54 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1gvn h LYS 54 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1gvn h LYS 54 CO -0.00 0.40 0.00 0.54 -0.57 0.00 0.00 179.45 179.81 1gvn n ARG 55 N -3.47 0.01 -1.43 3.15 1.74 -0.93 -4.82 116.66 110.92 1gvn n ARG 55 Ca 0.00 0.39 -0.29 0.00 -0.77 0.00 0.00 57.85 57.18 1gvn n ARG 55 Cb 0.55 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.61 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 -2.92 2.61 -0.42 1.55 -7.23 -1.24 -5.03 120.40 107.71 1gvn s VAL 56 Ca 0.03 0.20 -0.07 0.00 -1.81 0.00 0.00 61.98 60.32 1gvn s VAL 56 Cb 0.03 -2.86 0.10 0.00 0.56 0.00 0.00 36.38 34.21 1gvn s VAL 56 CO 0.08 -0.26 0.25 0.21 -0.31 0.00 0.00 175.10 175.07 1gvn s ASN 57 N -3.78 5.50 0.49 4.85 2.47 -1.26 -4.95 114.94 118.25 1gvn s ASN 57 Ca 0.63 -1.73 0.33 0.00 0.42 0.00 0.00 52.86 52.50 1gvn s ASN 57 Cb -0.16 -1.93 1.68 0.00 -1.45 0.00 0.00 41.25 39.40 1gvn s ASN 57 CO 0.55 -0.56 2.00 -0.07 -3.72 0.00 0.00 177.10 175.30 1gvn h LEU 58 N 8.29 0.00 0.00 3.21 3.38 -1.95 -1.92 115.31 126.32 1gvn h LEU 58 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1gvn h LEU 58 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1gvn h LEU 58 CO 0.75 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.77 1gvn n PHE 59 N -2.71 0.00 -1.45 1.13 3.72 -1.26 -2.96 117.46 113.92 1gvn n PHE 59 Ca -0.01 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.27 1gvn n PHE 59 Cb 0.12 -0.37 0.18 0.00 -0.94 0.00 0.00 39.48 38.46 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 -1.37 3.17 -4.32 4.37 2.03 -0.72 -4.98 116.55 114.73 1gvn n ASP 60 Ca 0.09 -3.76 -0.27 0.00 0.52 0.00 0.00 54.79 51.37 1gvn n ASP 60 Cb 0.22 -0.68 -0.13 0.00 -0.72 0.00 0.00 41.12 39.81 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 -3.33 2.02 0.87 -0.67 2.02 -1.16 -5.06 117.35 112.05 1gvn s TYR 61 Ca 0.49 -0.40 -0.13 0.00 -0.37 0.00 0.00 57.07 56.66 1gvn s TYR 61 Cb 0.43 -1.14 0.12 0.00 -0.40 0.00 0.00 41.96 40.97 1gvn s TYR 61 CO 0.02 0.21 1.17 -1.54 -1.57 0.00 0.00 175.55 173.84 1gvn s SER 62 N -1.72 3.92 0.16 2.29 1.04 -1.26 -4.79 113.70 113.34 1gvn s SER 62 Ca 0.10 0.81 -0.15 0.00 0.48 0.00 0.00 55.95 57.19 1gvn s SER 62 Cb -0.10 -1.30 0.08 0.00 0.10 0.00 0.00 66.02 64.80 1gvn s SER 62 CO 0.04 -2.28 1.78 0.25 0.98 0.00 0.00 173.24 174.01 1gvn h LEU 63 N -1.31 0.28 -0.44 2.42 5.85 -1.99 -0.16 115.31 119.95 1gvn h LEU 63 Ca -0.48 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.28 1gvn h LEU 63 Cb 1.32 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 1gvn h LEU 63 CO 0.62 0.21 0.27 -0.08 -0.34 0.00 0.00 178.44 179.11 1gvn h GLU 64 N 0.41 0.53 -0.71 1.25 4.22 -1.99 -0.57 114.58 117.71 1gvn h GLU 64 Ca 0.18 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.56 1gvn h GLU 64 Cb 0.10 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1gvn h GLU 64 CO -0.14 0.35 0.32 0.93 -2.18 0.00 0.00 179.01 178.29 1gvn h GLU 65 N 0.55 1.03 -0.59 1.92 5.08 -1.80 -0.92 114.58 119.84 1gvn h GLU 65 Ca 0.17 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1gvn h GLU 65 Cb -0.01 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1gvn h GLU 65 CO -0.07 0.81 0.10 -0.07 -1.00 0.00 0.00 179.01 178.78 1gvn h LEU 66 N 1.01 0.94 -1.28 1.33 3.38 -0.42 0.16 115.31 120.44 1gvn h LEU 66 Ca 0.24 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1gvn h LEU 66 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1gvn h LEU 66 CO -0.03 0.96 -0.06 1.56 0.09 0.00 0.00 178.44 180.97 1gvn h GLN 67 N 0.88 0.42 -0.19 1.13 4.20 -0.65 0.01 115.11 120.91 1gvn h GLN 67 Ca 0.18 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1gvn h GLN 67 Cb 0.42 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1gvn h GLN 67 CO 0.01 0.50 -0.06 0.00 -0.67 0.00 0.00 178.83 178.60 1gvn h ALA 68 N 1.55 0.27 -0.95 3.87 0.00 -0.47 -1.82 119.26 121.70 1gvn h ALA 68 Ca 0.08 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1gvn h ALA 68 Cb 0.36 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1gvn h ALA 68 CO 0.02 0.06 0.63 0.28 0.00 0.00 0.00 179.25 180.24 1gvn h VAL 69 N 0.10 1.23 -0.69 0.00 2.07 -0.53 0.13 116.25 118.56 1gvn h VAL 69 Ca 0.05 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1gvn h VAL 69 Cb 0.52 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1gvn h VAL 69 CO 0.02 0.23 0.42 -0.74 0.02 0.00 0.00 177.57 177.52 1gvn h HIS 70 N 1.27 0.90 -0.21 1.57 6.17 -0.83 -1.60 115.15 122.43 1gvn h HIS 70 Ca 0.36 -0.00 -0.11 0.00 0.71 0.00 0.00 60.37 61.32 1gvn h HIS 70 Cb -0.12 -0.30 -0.01 0.00 2.52 0.00 0.00 27.41 29.50 1gvn h HIS 70 CO -0.00 0.61 -0.35 1.49 0.71 0.00 0.00 177.93 180.38 1gvn h GLU 71 N 0.94 0.45 -0.44 5.26 4.57 -0.38 -1.73 114.58 123.23 1gvn h GLU 71 Ca 0.25 -0.20 0.05 0.00 -1.18 0.00 0.00 59.36 58.28 1gvn h GLU 71 Cb -0.03 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.50 1gvn h GLU 71 CO -0.05 0.74 0.17 -0.92 -1.18 0.00 0.00 179.01 177.78 1gvn h TYR 72 N 0.38 0.31 0.00 0.92 3.20 0.02 0.10 116.97 121.90 1gvn h TYR 72 Ca 0.04 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 1gvn h TYR 72 Cb 0.80 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1gvn h TYR 72 CO 0.03 0.13 -0.47 -1.49 -1.64 0.00 0.00 178.16 174.71 1gvn h TRP 73 N 0.35 0.00 -0.37 -3.82 4.06 -1.06 -0.55 115.95 114.57 1gvn h TRP 73 Ca 0.20 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.07 1gvn h TRP 73 Cb 0.18 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 1gvn h TRP 73 CO -0.14 0.47 -0.12 0.00 -3.56 0.00 0.00 178.44 175.09 1gvn h ARG 74 N 0.00 0.73 -0.70 0.49 3.08 -0.41 0.39 114.38 117.97 1gvn h ARG 74 Ca -0.00 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 59.68 1gvn h ARG 74 Cb 0.97 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 1gvn h ARG 74 CO 0.06 0.89 0.14 0.66 -1.07 0.00 0.00 179.97 180.66 1gvn h SER 75 N 0.53 1.08 0.84 7.04 4.64 -0.51 -1.83 113.55 125.35 1gvn h SER 75 Ca 0.09 -0.25 -0.11 0.00 -0.47 0.00 0.00 61.79 61.06 1gvn h SER 75 Cb 0.64 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1gvn h SER 75 CO 0.04 1.05 -0.51 0.24 -0.87 0.00 0.00 176.83 176.78 1gvn h MET 76 N 1.07 0.00 -0.14 4.77 2.86 -0.98 0.10 114.93 122.60 1gvn h MET 76 Ca 0.22 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1gvn h MET 76 Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1gvn h MET 76 CO 0.01 0.51 0.06 -0.97 1.06 0.00 0.00 176.91 177.58 1gvn h ASN 77 N 0.00 0.20 -0.18 1.22 -1.24 -0.46 0.89 115.58 116.01 1gvn h ASN 77 Ca -0.01 -0.17 -0.01 0.00 0.71 0.00 0.00 56.30 56.83 1gvn h ASN 77 Cb 1.07 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 40.06 1gvn h ASN 77 CO 0.07 0.31 0.06 0.03 -1.29 0.00 0.00 177.43 176.61 1gvn h ARG 78 N 0.07 0.27 -0.11 6.67 3.08 -1.16 -2.98 114.38 120.22 1gvn h ARG 78 Ca 0.05 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1gvn h ARG 78 Cb 0.17 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1gvn h ARG 78 CO -0.00 0.38 0.05 -0.92 -1.07 0.00 0.00 179.97 178.40 1gvn h TYR 79 N 0.12 0.16 -0.86 3.04 3.20 -0.87 -2.91 116.97 118.85 1gvn h TYR 79 Ca 0.06 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.01 1gvn h TYR 79 Cb 0.21 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.37 1gvn h TYR 79 CO -0.00 0.24 0.56 0.66 -1.64 0.00 0.00 178.16 177.98 1gvn h SER 80 N 0.04 0.78 -0.58 -2.11 4.64 -0.86 -0.12 113.55 115.33 1gvn h SER 80 Ca 0.04 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 1gvn h SER 80 Cb 0.14 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1gvn h SER 80 CO -0.00 0.47 0.19 0.11 -0.87 0.00 0.00 176.83 176.72 1gvn h LYS 81 N 0.87 0.95 -0.09 4.77 1.57 -1.36 -0.50 116.57 122.77 1gvn h LYS 81 Ca 0.39 -0.19 -0.19 0.00 -1.87 0.00 0.00 60.65 58.80 1gvn h LYS 81 Cb 0.37 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1gvn h LYS 81 CO -0.16 0.82 -0.67 0.37 -0.57 0.00 0.00 179.45 179.24 1gvn h GLN 82 N 0.91 0.62 -0.50 3.15 4.15 -1.03 -1.57 115.11 120.84 1gvn h GLN 82 Ca 0.20 -0.54 -0.09 0.00 0.77 0.00 0.00 58.65 59.00 1gvn h GLN 82 Cb 0.27 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1gvn h GLN 82 CO -0.01 1.16 -0.02 0.28 -1.93 0.00 0.00 178.83 178.31 1gvn h VAL 83 N 0.25 1.27 0.16 2.39 2.07 -0.92 -3.28 116.25 118.19 1gvn h VAL 83 Ca -0.06 -1.12 -0.28 0.00 0.82 0.00 0.00 66.70 66.06 1gvn h VAL 83 Cb 1.32 0.98 0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1gvn h VAL 83 CO 0.14 0.39 -1.20 -0.07 0.02 0.00 0.00 177.57 176.85 1gvn h LEU 84 N 0.77 0.79 -7.34 2.57 3.38 -1.18 -3.37 115.31 110.93 1gvn h LEU 84 Ca 0.14 -0.87 -0.78 0.00 0.09 0.00 0.00 57.88 56.47 1gvn h LEU 84 Cb 0.55 -0.25 -0.23 0.00 0.09 0.00 0.00 40.66 40.82 1gvn h LEU 84 CO 0.03 1.58 1.04 0.59 0.09 0.00 0.00 178.44 181.78 1gvn n ASN 85 N -3.86 5.52 -0.36 -0.43 3.02 -0.59 -4.89 115.26 113.66 1gvn n ASN 85 Ca -0.15 -3.09 -0.10 0.00 -0.03 0.00 0.00 54.58 51.22 1gvn n ASN 85 Cb 0.97 -1.44 -0.09 0.00 -0.61 0.00 0.00 39.78 38.62 1gvn n ASN 85 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1gvn n LYS 86 N 3.58 -0.38 0.00 3.52 4.01 -1.25 -4.70 118.16 122.94 1gvn n LYS 86 Ca 0.31 1.32 0.00 0.00 -0.51 0.00 0.00 58.31 59.43 1gvn n LYS 86 Cb 0.39 -1.95 0.00 0.00 -0.51 0.00 0.00 35.03 32.96 1gvn n LYS 86 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38