#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgl s THR 7 N 0.00 3.63 -0.36 3.15 2.01 -0.33 -4.89 115.64 118.85 1vgl s THR 7 Ca 0.00 -1.46 -0.14 0.00 0.31 0.00 0.00 61.69 60.40 1vgl s THR 7 Cb 0.00 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.68 1vgl s THR 7 CO 0.00 -0.11 0.29 -0.31 -0.69 0.00 0.00 174.62 173.80 1vgl s TYR 8 N -1.72 3.22 -0.30 4.92 1.51 -0.63 -1.32 117.35 123.04 1vgl s TYR 8 Ca 0.27 -0.28 -0.20 0.00 -1.01 0.00 0.00 57.07 55.86 1vgl s TYR 8 Cb -0.09 -2.57 -0.01 0.00 -0.11 0.00 0.00 41.96 39.18 1vgl s TYR 8 CO 0.18 -0.45 0.59 0.08 -1.11 0.00 0.00 175.55 174.84 1vgl s VAL 9 N 1.79 4.97 -0.42 0.71 1.01 0.25 -1.28 120.40 127.43 1vgl s VAL 9 Ca 0.07 0.79 -0.18 0.00 0.00 0.00 0.00 61.98 62.67 1vgl s VAL 9 Cb -0.18 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.26 1vgl s VAL 9 CO 0.11 -0.11 0.47 -0.22 0.00 0.00 0.00 175.10 175.35 1vgl s LEU 10 N 2.53 4.82 -0.22 3.92 2.96 -0.41 -1.80 118.68 130.47 1vgl s LEU 10 Ca 0.24 -0.63 -0.14 0.00 -0.22 0.00 0.00 54.13 53.38 1vgl s LEU 10 Cb -0.15 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 1vgl s LEU 10 CO 0.11 -0.61 0.30 -0.54 -1.32 0.00 0.00 176.35 174.29 1vgl s LYS 11 N 2.23 4.11 -0.25 1.98 1.02 0.06 -0.75 119.74 128.14 1vgl s LYS 11 Ca 0.14 -0.01 -0.01 0.00 0.02 0.00 0.00 55.97 56.10 1vgl s LYS 11 Cb -0.17 -3.55 0.03 0.00 -0.52 0.00 0.00 37.83 33.62 1vgl s LYS 11 CO 0.14 -0.03 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.98 1vgl s LEU 12 N 1.30 3.23 -0.33 3.17 1.02 0.59 -1.09 118.68 126.57 1vgl s LEU 12 Ca 0.14 -0.91 -0.15 0.00 0.02 0.00 0.00 54.13 53.23 1vgl s LEU 12 Cb -0.14 -1.66 -0.02 0.00 0.02 0.00 0.00 46.19 44.39 1vgl s LEU 12 CO 0.07 -0.14 0.38 -0.31 0.02 0.00 0.00 176.35 176.37 1vgl s TYR 13 N 1.31 3.21 0.21 0.29 1.51 -0.71 -0.53 117.35 122.64 1vgl s TYR 13 Ca -0.00 0.09 0.10 0.00 -1.01 0.00 0.00 57.07 56.24 1vgl s TYR 13 Cb -0.17 -2.68 -0.04 0.00 -0.11 0.00 0.00 41.96 38.96 1vgl s TYR 13 CO -0.04 -0.40 -0.11 0.14 -1.11 0.00 0.00 175.55 174.03 1vgl s VAL 14 N 2.07 3.06 -1.09 0.71 -7.23 -0.36 -0.25 120.40 117.30 1vgl s VAL 14 Ca 0.13 -1.82 -0.06 0.00 -1.81 0.00 0.00 61.98 58.41 1vgl s VAL 14 Cb -0.16 -2.54 0.29 0.00 0.56 0.00 0.00 36.38 34.53 1vgl s VAL 14 CO 0.11 -0.18 1.29 0.00 -0.31 0.00 0.00 175.10 176.02 1vgl n ALA 15 N -0.16 4.71 -0.05 1.32 0.00 0.26 -0.53 120.51 126.05 1vgl n ALA 15 Ca -0.10 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 48.60 1vgl n ALA 15 Cb 0.57 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1vgl n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vgl n GLY 16 N 1.98 -1.97 3.36 0.00 0.00 -1.26 -4.80 105.19 102.49 1vgl n GLY 16 Ca 0.25 -1.39 -0.18 0.00 0.00 0.00 0.00 46.02 44.69 1vgl n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vgl s ASN 17 N -4.00 2.21 0.14 1.61 0.01 -1.26 -4.92 114.94 108.73 1vgl s ASN 17 Ca 0.00 -1.18 -0.04 0.00 -0.71 0.00 0.00 52.86 50.93 1vgl s ASN 17 Cb 0.00 -0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.57 1vgl s ASN 17 CO 0.00 -0.42 0.15 0.42 -1.51 0.00 0.00 177.10 175.74 1vgl s THR 18 N -3.24 0.09 0.16 1.60 -4.23 -1.26 -5.00 115.64 103.76 1vgl s THR 18 Ca 0.27 -1.67 -0.17 0.00 -1.18 0.00 0.00 61.69 58.94 1vgl s THR 18 Cb 0.04 -1.92 0.06 0.00 1.34 0.00 0.00 72.50 72.02 1vgl s THR 18 CO 0.09 -0.42 1.69 1.55 -0.54 0.00 0.00 174.62 176.99 1vgl h PRO 19 N 2.74 0.05 -0.34 3.99 0.13 -2.01 -2.04 132.00 134.52 1vgl h PRO 19 Ca -0.34 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.66 1vgl h PRO 19 Cb 1.21 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1vgl h PRO 19 CO 0.55 0.03 -0.31 -0.91 -0.23 0.00 0.00 178.00 177.13 1vgl h ASN 20 N 0.05 0.86 -0.79 1.44 2.35 -1.99 -2.86 115.58 114.63 1vgl h ASN 20 Ca 0.17 -0.46 0.18 0.00 -0.55 0.00 0.00 56.30 55.64 1vgl h ASN 20 Cb 0.25 -0.24 -0.11 0.00 0.05 0.00 0.00 38.32 38.27 1vgl h ASN 20 CO -0.33 1.14 0.25 -1.28 -1.65 0.00 0.00 177.43 175.57 1vgl h SER 21 N 0.58 0.13 0.44 5.81 0.87 -1.86 0.24 113.55 119.76 1vgl h SER 21 Ca 0.06 0.14 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 1vgl h SER 21 Cb 0.89 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 1vgl h SER 21 CO 0.08 -0.01 -0.52 0.58 -0.53 0.00 0.00 176.83 176.43 1vgl h VAL 22 N 0.33 1.37 -0.34 2.23 2.07 -1.31 -1.81 116.25 118.78 1vgl h VAL 22 Ca 0.46 -1.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.13 1vgl h VAL 22 Cb 0.80 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1vgl h VAL 22 CO -0.51 0.52 0.00 -0.09 0.02 0.00 0.00 177.57 177.51 1vgl h ARG 23 N 0.07 0.61 -0.55 1.57 2.43 -0.42 -2.47 114.38 115.63 1vgl h ARG 23 Ca -0.00 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 58.92 1vgl h ARG 23 Cb 0.95 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1vgl h ARG 23 CO 0.07 0.73 0.13 0.00 -1.51 0.00 0.00 179.97 179.39 1vgl h ALA 24 N 0.86 0.73 0.02 2.80 0.00 -0.78 -2.79 119.26 120.09 1vgl h ALA 24 Ca 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1vgl h ALA 24 Cb 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1vgl h ALA 24 CO 0.02 0.43 -0.01 -0.07 0.00 0.00 0.00 179.25 179.61 1vgl h LEU 25 N 0.78 -0.02 -0.86 0.00 3.38 -1.22 -0.82 115.31 116.55 1vgl h LEU 25 Ca 0.17 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1vgl h LEU 25 Cb 0.34 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1vgl h LEU 25 CO 0.00 0.05 0.55 0.11 0.09 0.00 0.00 178.44 179.24 1vgl h LYS 26 N -0.09 1.04 -0.46 1.13 1.57 -1.44 0.70 116.57 119.02 1vgl h LYS 26 Ca -0.00 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1vgl h LYS 26 Cb 0.09 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1vgl h LYS 26 CO 0.00 0.69 -0.07 1.15 -0.57 0.00 0.00 179.45 180.65 1vgl h THR 27 N 1.07 1.25 0.31 -0.16 2.02 -1.41 0.02 112.91 116.01 1vgl h THR 27 Ca 0.35 -1.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 1vgl h THR 27 Cb 0.02 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1vgl h THR 27 CO -0.12 0.39 -0.15 0.25 0.37 0.00 0.00 175.52 176.26 1vgl h LEU 28 N 0.73 -0.35 -1.26 2.58 5.85 -0.36 0.78 115.31 123.27 1vgl h LEU 28 Ca 0.13 -0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.88 1vgl h LEU 28 Cb 0.55 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 1vgl h LEU 28 CO 0.03 -0.12 0.56 -1.13 -0.34 0.00 0.00 178.44 177.44 1vgl h ASN 29 N -0.57 0.71 -0.40 1.25 -0.73 -0.69 0.42 115.58 115.57 1vgl h ASN 29 Ca -0.04 0.03 -0.09 0.00 1.87 0.00 0.00 56.30 58.07 1vgl h ASN 29 Cb 0.42 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.88 1vgl h ASN 29 CO 0.07 0.39 -0.10 -1.13 -0.37 0.00 0.00 177.43 176.29 1vgl h ASN 30 N 0.77 0.78 0.17 1.15 -1.24 -0.71 -2.36 115.58 114.14 1vgl h ASN 30 Ca 0.42 -0.37 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 1vgl h ASN 30 Cb 0.55 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.39 1vgl h ASN 30 CO -0.18 0.97 -0.00 0.40 -1.29 0.00 0.00 177.43 177.32 1vgl h ILE 31 N 0.59 0.02 0.00 2.57 2.04 0.13 -0.79 117.51 122.07 1vgl h ILE 31 Ca 0.10 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1vgl h ILE 31 Cb 0.63 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1vgl h ILE 31 CO 0.04 0.00 -1.64 0.18 0.00 0.00 0.00 178.15 176.74 1vgl n LEU 32 N -3.11 0.37 0.04 1.44 4.77 -0.74 -2.77 117.00 117.00 1vgl n LEU 32 Ca -0.02 0.15 0.05 0.00 -0.03 0.00 0.00 56.01 56.15 1vgl n LEU 32 Cb 0.11 0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1vgl n LEU 32 CO 0.21 -0.02 -0.31 1.21 -1.33 0.00 0.00 177.39 177.16 1vgl n GLU 33 N -2.49 0.63 -0.05 3.23 2.13 -0.68 -2.74 120.64 120.66 1vgl n GLU 33 Ca -0.05 0.12 -0.03 0.00 0.66 0.00 0.00 57.16 57.85 1vgl n GLU 33 Cb 0.63 -1.76 -0.09 0.00 0.27 0.00 0.00 31.44 30.49 1vgl n GLU 33 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1vgl n LYS 34 N -2.72 1.71 -0.10 5.31 4.81 -0.39 -4.35 118.16 122.43 1vgl n LYS 34 Ca -0.07 -0.03 -0.13 0.00 -0.87 0.00 0.00 58.31 57.21 1vgl n LYS 34 Cb 0.72 -1.30 -0.11 0.00 0.02 0.00 0.00 35.03 34.36 1vgl n LYS 34 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1vgl n GLU 35 N -2.33 0.78 -2.45 1.64 1.02 -1.11 -4.64 120.64 113.54 1vgl n GLU 35 Ca -0.16 0.08 -0.21 0.00 -0.02 0.00 0.00 57.16 56.85 1vgl n GLU 35 Cb 0.77 -1.44 0.01 0.00 -0.02 0.00 0.00 31.44 30.76 1vgl n GLU 35 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1vgl n PHE 36 N -2.96 2.67 -1.63 -0.32 3.01 -1.21 -5.03 117.46 112.00 1vgl n PHE 36 Ca -0.35 -2.80 -0.54 0.00 1.01 0.00 0.00 57.45 54.77 1vgl n PHE 36 Cb 0.97 -0.20 -0.06 0.00 -0.01 0.00 0.00 39.48 40.17 1vgl n PHE 36 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1vgl n LYS 37 N -0.45 1.13 -1.14 -1.08 2.85 -1.11 -0.99 118.16 117.37 1vgl n LYS 37 Ca 0.32 0.41 -0.05 0.00 -1.05 0.00 0.00 58.31 57.94 1vgl n LYS 37 Cb 0.76 -2.06 -0.02 0.00 -0.65 0.00 0.00 35.03 33.06 1vgl n LYS 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vgl n GLY 38 N 3.02 0.66 0.07 2.58 0.00 -1.26 -4.84 105.19 105.42 1vgl n GLY 38 Ca 0.21 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1vgl n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vgl n VAL 39 N -2.52 0.84 -4.29 1.61 0.31 -0.16 -4.76 118.33 109.36 1vgl n VAL 39 Ca -0.05 -0.41 -0.18 0.00 -0.01 0.00 0.00 64.34 63.69 1vgl n VAL 39 Cb 0.33 -0.87 -0.10 0.00 -0.91 0.00 0.00 33.84 32.28 1vgl n VAL 39 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1vgl s TYR 40 N -2.29 1.54 -0.17 3.52 1.51 -1.23 -1.60 117.35 118.62 1vgl s TYR 40 Ca -0.14 -0.60 -0.05 0.00 -1.01 0.00 0.00 57.07 55.28 1vgl s TYR 40 Cb 0.04 -0.76 0.06 0.00 -0.11 0.00 0.00 41.96 41.20 1vgl s TYR 40 CO 0.41 0.23 0.09 0.00 -1.11 0.00 0.00 175.55 175.17 1vgl s ALA 41 N -2.70 0.46 0.11 3.71 0.00 -0.41 -4.87 121.76 118.06 1vgl s ALA 41 Ca 0.17 -0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.48 1vgl s ALA 41 Cb -0.02 -1.05 -0.06 0.00 0.00 0.00 0.00 23.12 21.99 1vgl s ALA 41 CO 0.04 -1.18 1.14 -1.17 0.00 0.00 0.00 175.76 174.59 1vgl s LEU 42 N 2.12 4.42 -0.07 0.00 2.96 -1.26 -1.28 118.68 125.57 1vgl s LEU 42 Ca 0.02 2.04 -0.03 0.00 -0.22 0.00 0.00 54.13 55.94 1vgl s LEU 42 Cb -0.16 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 42.98 1vgl s LEU 42 CO -0.10 -0.35 0.07 -0.75 -1.32 0.00 0.00 176.35 173.91 1vgl s LYS 43 N 0.37 -0.05 -0.15 1.98 2.20 0.07 -4.94 119.74 119.21 1vgl s LYS 43 Ca 0.54 0.29 -0.06 0.00 -0.36 0.00 0.00 55.97 56.37 1vgl s LYS 43 Cb -0.29 -0.78 -0.04 0.00 -1.51 0.00 0.00 37.83 35.21 1vgl s LYS 43 CO 0.32 -0.40 0.07 0.08 -0.36 0.00 0.00 175.35 175.06 1vgl s VAL 44 N 2.17 4.86 -0.18 4.02 1.01 -1.26 -0.30 120.40 130.72 1vgl s VAL 44 Ca 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1vgl s VAL 44 Cb -0.13 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.14 1vgl s VAL 44 CO -0.04 0.52 -0.12 -0.63 0.00 0.00 0.00 175.10 174.83 1vgl s ILE 45 N -0.16 1.58 -0.35 2.22 1.09 0.31 -4.93 121.20 120.97 1vgl s ILE 45 Ca 0.08 -0.83 -0.24 0.00 -1.10 0.00 0.00 60.65 58.55 1vgl s ILE 45 Cb -0.12 -1.59 0.01 0.00 -1.06 0.00 0.00 42.46 39.69 1vgl s ILE 45 CO 0.01 0.29 0.82 -0.62 -0.10 0.00 0.00 174.94 175.34 1vgl s ASP 46 N 1.45 6.62 0.09 3.58 3.68 -1.26 -1.22 116.67 129.60 1vgl s ASP 46 Ca 0.01 0.52 -0.10 0.00 2.13 0.00 0.00 52.55 55.11 1vgl s ASP 46 Cb -0.15 -2.42 -0.21 0.00 -1.45 0.00 0.00 42.92 38.70 1vgl s ASP 46 CO -0.09 -0.72 1.20 0.58 0.13 0.00 0.00 175.17 176.26 1vgl h VAL 47 N 5.72 1.35 0.00 1.11 2.07 -1.02 0.11 116.25 125.59 1vgl h VAL 47 Ca -0.24 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 64.80 1vgl h VAL 47 Cb 1.09 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.42 1vgl h VAL 47 CO 0.92 0.75 0.00 0.18 0.02 0.00 0.00 177.57 179.44 1vgl n LEU 48 N -3.76 0.00 0.00 2.57 4.32 -1.26 -1.64 117.00 117.23 1vgl n LEU 48 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 1vgl n LEU 48 Cb 0.92 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.72 1vgl n LEU 48 CO 0.55 0.00 -0.47 1.17 -1.22 0.00 0.00 177.39 177.41 1vgl n LYS 49 N -0.76 0.00 -3.54 3.23 4.81 -1.18 -4.93 118.16 115.79 1vgl n LYS 49 Ca 0.08 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.23 1vgl n LYS 49 Cb 0.03 -0.72 -0.12 0.00 0.02 0.00 0.00 35.03 34.25 1vgl n LYS 49 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1vgl s ASN 50 N -4.49 2.78 0.08 3.14 2.47 0.38 -5.02 114.94 114.28 1vgl s ASN 50 Ca 0.00 -2.74 -0.35 0.00 0.42 0.00 0.00 52.86 50.19 1vgl s ASN 50 Cb 0.00 -0.68 -0.17 0.00 -1.45 0.00 0.00 41.25 38.95 1vgl s ASN 50 CO 0.00 -0.23 1.58 -0.65 -3.72 0.00 0.00 177.10 174.08 1vgl h PRO 51 N 6.33 -0.96 -6.02 0.43 0.11 -1.54 -3.39 132.00 126.96 1vgl h PRO 51 Ca 0.12 0.07 -0.74 0.00 0.11 0.00 0.00 66.00 65.56 1vgl h PRO 51 Cb 0.92 0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1vgl h PRO 51 CO 0.39 -0.64 1.23 0.94 -0.21 0.00 0.00 178.00 179.71 1vgl n GLN 52 N -5.56 0.60 -2.88 1.05 -0.06 -1.26 -4.94 117.38 104.34 1vgl n GLN 52 Ca -0.12 0.18 -0.40 0.00 -2.00 0.00 0.00 57.00 54.66 1vgl n GLN 52 Cb 0.45 -1.96 -0.05 0.00 -4.06 0.00 0.00 30.24 24.61 1vgl n GLN 52 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1vgl s LEU 53 N 5.79 4.53 0.00 1.69 2.96 -1.26 -5.06 118.68 127.34 1vgl s LEU 53 Ca 1.11 1.67 0.00 0.00 -0.22 0.00 0.00 54.13 56.69 1vgl s LEU 53 Cb -1.19 -3.40 0.00 0.00 0.50 0.00 0.00 46.19 42.10 1vgl s LEU 53 CO 0.61 0.06 0.00 0.00 -1.32 0.00 0.00 176.35 175.71 1vgl n ALA 54 N 2.29 0.00 -0.05 5.97 0.00 -1.26 -4.97 120.51 122.49 1vgl n ALA 54 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1vgl n ALA 54 Cb 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.79 1vgl n ALA 54 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1vgl n GLU 55 N -1.26 0.66 -0.06 0.00 2.13 -1.26 -3.96 120.64 116.90 1vgl n GLU 55 Ca 0.00 0.19 0.12 0.00 0.66 0.00 0.00 57.16 58.13 1vgl n GLU 55 Cb 0.00 -1.69 0.36 0.00 0.27 0.00 0.00 31.44 30.38 1vgl n GLU 55 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1vgl n GLU 56 N -3.00 1.91 -3.09 5.31 1.02 -1.26 -4.92 120.64 116.61 1vgl n GLU 56 Ca -0.25 -1.35 -0.24 0.00 -0.02 0.00 0.00 57.16 55.30 1vgl n GLU 56 Cb 1.08 -1.45 -0.00 0.00 -0.02 0.00 0.00 31.44 31.05 1vgl n GLU 56 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1vgl s ASP 57 N -1.77 6.09 -0.17 1.62 1.11 -1.25 -5.11 116.67 117.19 1vgl s ASP 57 Ca 0.34 0.46 -0.33 0.00 0.18 0.00 0.00 52.55 53.21 1vgl s ASP 57 Cb 0.20 -1.86 0.14 0.00 1.07 0.00 0.00 42.92 42.46 1vgl s ASP 57 CO 0.30 -0.51 1.15 -1.59 1.18 0.00 0.00 175.17 175.70 1vgl s LYS 58 N -4.49 0.39 -0.16 8.23 -2.85 -1.26 -4.85 119.74 114.76 1vgl s LYS 58 Ca 0.45 -0.08 0.00 0.00 -1.00 0.00 0.00 55.97 55.34 1vgl s LYS 58 Cb -0.10 0.18 0.03 0.00 -2.06 0.00 0.00 37.83 35.88 1vgl s LYS 58 CO 0.38 -0.16 -0.13 0.42 0.10 0.00 0.00 175.35 175.96 1vgl s ILE 59 N -2.11 1.55 0.43 3.79 1.01 -1.26 -4.67 121.20 119.93 1vgl s ILE 59 Ca 0.07 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 60.11 1vgl s ILE 59 Cb -0.01 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.97 1vgl s ILE 59 CO -0.05 0.39 0.58 -0.76 0.00 0.00 0.00 174.94 175.10 1vgl s LEU 60 N 1.48 3.64 0.13 2.97 1.43 0.72 -4.88 118.68 124.18 1vgl s LEU 60 Ca 0.04 -0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 52.39 1vgl s LEU 60 Cb -0.13 -2.62 -0.09 0.00 0.03 0.00 0.00 46.19 43.38 1vgl s LEU 60 CO -0.10 -0.78 1.45 0.00 0.23 0.00 0.00 176.35 177.15 1vgl s ALA 61 N -2.36 3.65 0.18 4.21 0.00 -1.26 -1.86 121.76 124.32 1vgl s ALA 61 Ca 0.55 1.20 -0.13 0.00 0.00 0.00 0.00 51.96 53.58 1vgl s ALA 61 Cb -0.10 -3.57 0.16 0.00 0.00 0.00 0.00 23.12 19.61 1vgl s ALA 61 CO 0.33 -0.68 1.76 1.15 0.00 0.00 0.00 175.76 178.33 1vgl h THR 62 N 4.19 0.88 -0.20 0.00 2.02 -1.91 -2.57 112.91 115.31 1vgl h THR 62 Ca -0.42 -0.14 0.06 0.00 0.77 0.00 0.00 66.41 66.68 1vgl h THR 62 Cb 1.21 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1vgl h THR 62 CO 0.88 0.07 0.18 -0.65 0.37 0.00 0.00 175.52 176.37 1vgl h PRO 63 N 0.40 0.00 0.00 6.66 0.11 -1.98 0.17 132.00 137.36 1vgl h PRO 63 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1vgl h PRO 63 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1vgl h PRO 63 CO -0.21 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 177.51 1vgl h LEU 65 N -0.95 0.00 -2.14 0.00 4.07 -1.41 -1.73 115.31 113.15 1vgl h LEU 65 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1vgl h LEU 65 Cb 0.07 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 1vgl h LEU 65 CO 0.00 0.09 -0.05 0.00 -1.08 0.00 0.00 178.44 177.39 1vgl h ALA 66 N 1.91 1.16 -0.04 1.53 0.00 -0.80 -3.12 119.26 119.90 1vgl h ALA 66 Ca -0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1vgl h ALA 66 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1vgl h ALA 66 CO 0.01 0.07 -0.70 0.87 0.00 0.00 0.00 179.25 179.50 1vgl h LYS 67 N 0.00 0.22 -0.01 0.00 1.57 -1.44 -3.08 116.57 113.83 1vgl h LYS 67 Ca -0.00 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1vgl h LYS 67 Cb 0.26 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1vgl h LYS 67 CO 0.01 0.83 -0.03 1.33 -0.57 0.00 0.00 179.45 181.02 1vgl n VAL 68 N -3.79 0.00 -3.29 0.50 0.24 -1.18 -4.85 118.33 105.96 1vgl n VAL 68 Ca -0.03 -0.09 -0.30 0.00 -2.04 0.00 0.00 64.34 61.88 1vgl n VAL 68 Cb 0.68 -0.11 -0.04 0.00 -1.47 0.00 0.00 33.84 32.90 1vgl n VAL 68 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1vgl s LEU 69 N -2.15 4.07 0.53 1.34 1.43 -1.16 -5.04 118.68 117.70 1vgl s LEU 69 Ca 0.39 0.90 -0.22 0.00 -1.03 0.00 0.00 54.13 54.17 1vgl s LEU 69 Cb 0.21 -3.70 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 1vgl s LEU 69 CO 0.39 -0.18 1.36 -2.84 0.23 0.00 0.00 176.35 175.32 1vgl s PRO 70 N -3.26 3.24 0.30 1.29 0.02 -1.26 -4.75 135.00 130.58 1vgl s PRO 70 Ca 0.47 2.25 0.02 0.00 0.02 0.00 0.00 61.00 63.77 1vgl s PRO 70 Cb -0.11 -2.32 0.74 0.00 0.02 0.00 0.00 34.50 32.83 1vgl s PRO 70 CO 0.26 -1.12 1.62 -1.35 -0.33 0.00 0.00 177.00 176.08 1vgl h PRO 71 N 1.61 0.11 -0.31 5.54 0.11 -1.95 -1.60 132.00 135.51 1vgl h PRO 71 Ca -0.51 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1vgl h PRO 71 Cb 1.29 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1vgl h PRO 71 CO 0.58 0.07 -0.01 -1.00 -0.21 0.00 0.00 178.00 177.44 1vgl h PRO 72 N 0.12 0.55 -0.29 1.05 0.13 -2.00 -2.06 132.00 129.49 1vgl h PRO 72 Ca 0.58 -0.18 -0.03 0.00 -0.87 0.00 0.00 66.00 65.49 1vgl h PRO 72 Cb 1.20 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1vgl h PRO 72 CO -0.75 0.69 0.04 0.28 -0.23 0.00 0.00 178.00 178.03 1vgl h VAL 73 N 0.34 1.16 0.00 1.56 2.07 -1.69 -2.18 116.25 117.52 1vgl h VAL 73 Ca 0.09 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 1vgl h VAL 73 Cb 0.45 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1vgl h VAL 73 CO 0.02 0.21 -0.48 0.03 0.02 0.00 0.00 177.57 177.36 1vgl h ARG 74 N 0.42 0.00 -0.03 1.57 3.08 -1.23 -1.49 114.38 116.71 1vgl h ARG 74 Ca 0.10 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1vgl h ARG 74 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1vgl h ARG 74 CO 0.00 0.48 0.00 -0.09 -1.07 0.00 0.00 179.97 179.30 1vgl h ARG 75 N 0.00 0.04 -0.53 0.04 2.43 -0.74 0.19 114.38 115.81 1vgl h ARG 75 Ca -0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1vgl h ARG 75 Cb 0.93 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 1vgl h ARG 75 CO 0.06 0.28 0.21 0.82 -1.51 0.00 0.00 179.97 179.84 1vgl h ILE 76 N -0.20 1.22 -0.66 1.20 1.08 -1.34 -0.62 117.51 118.18 1vgl h ILE 76 Ca 0.01 -0.68 0.02 0.00 -0.39 0.00 0.00 64.86 63.82 1vgl h ILE 76 Cb 0.26 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 1vgl h ILE 76 CO 0.00 0.26 0.42 0.40 -0.69 0.00 0.00 178.15 178.54 1vgl h ILE 77 N 0.72 1.11 0.00 -0.67 2.04 -1.14 0.32 117.51 119.89 1vgl h ILE 77 Ca 0.18 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1vgl h ILE 77 Cb 0.20 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1vgl h ILE 77 CO -0.01 0.15 -0.23 1.23 0.00 0.00 0.00 178.15 179.29 1vgl h GLY 78 N 0.83 0.00 0.47 5.37 0.00 -0.33 -1.57 103.07 107.85 1vgl h GLY 78 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1vgl h GLY 78 CO -0.09 0.00 -0.05 -1.80 0.00 0.00 0.00 176.54 174.60 1vgl h ASP 79 N 0.00 -0.12 0.12 0.19 3.58 0.66 0.28 116.42 121.13 1vgl h ASP 79 Ca -0.00 -0.41 -0.01 0.00 0.42 0.00 0.00 57.03 57.03 1vgl h ASP 79 Cb 0.43 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.51 1vgl h ASP 79 CO 0.03 0.39 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.66 1vgl h LEU 80 N -0.67 0.00 0.14 2.28 3.38 -0.33 0.62 115.31 120.73 1vgl h LEU 80 Ca -0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.61 1vgl h LEU 80 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1vgl h LEU 80 CO 0.02 0.05 -1.78 0.28 0.09 0.00 0.00 178.44 177.10 1vgl h SER 81 N 0.00 0.48 0.00 -0.43 0.02 -1.26 -0.26 113.55 112.10 1vgl h SER 81 Ca -0.00 -0.81 -0.36 0.00 -0.84 0.00 0.00 61.79 59.78 1vgl h SER 81 Cb 0.12 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.45 1vgl h SER 81 CO 0.01 1.70 -2.23 0.59 -1.14 0.00 0.00 176.83 175.76 1vgl n ASN 82 N -3.50 1.73 0.00 3.07 3.02 0.08 -4.13 115.26 115.54 1vgl n ASN 82 Ca -0.25 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1vgl n ASN 82 Cb 1.06 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1vgl n ASN 82 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1vgl n ARG 83 N -3.81 0.00 -0.09 3.52 3.00 0.20 -4.37 116.66 115.12 1vgl n ARG 83 Ca -0.42 0.27 -0.11 0.00 -0.00 0.00 0.00 57.85 57.58 1vgl n ARG 83 Cb 0.83 -1.01 -0.04 0.00 0.00 0.00 0.00 32.46 32.23 1vgl n ARG 83 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1vgl h GLU 84 N 0.00 0.46 -0.39 -0.14 3.07 -1.31 -3.48 114.58 112.79 1vgl h GLU 84 Ca 0.00 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.69 1vgl h GLU 84 Cb 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1vgl h GLU 84 CO 0.00 0.66 -0.01 1.63 -1.40 0.00 0.00 179.01 179.89 1vgl n LYS 85 N -4.59 -0.05 -0.01 2.33 5.02 -0.19 -4.96 118.16 115.71 1vgl n LYS 85 Ca -0.04 0.01 0.07 0.00 -2.02 0.00 0.00 58.31 56.34 1vgl n LYS 85 Cb 0.27 -3.19 -0.11 0.00 -0.02 0.00 0.00 35.03 31.98 1vgl n LYS 85 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1vgl n VAL 86 N -3.49 0.00 -2.29 -0.18 0.24 -0.72 -4.90 118.33 106.99 1vgl n VAL 86 Ca -0.00 -0.31 -0.43 0.00 -2.04 0.00 0.00 64.34 61.56 1vgl n VAL 86 Cb 0.50 0.31 -0.02 0.00 -1.47 0.00 0.00 33.84 33.16 1vgl n VAL 86 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1vgl s LEU 87 N -3.78 3.99 -0.10 1.34 2.96 -0.99 0.90 118.68 123.00 1vgl s LEU 87 Ca -0.03 1.53 -0.17 0.00 -0.22 0.00 0.00 54.13 55.23 1vgl s LEU 87 Cb 0.10 -3.54 -0.27 0.00 0.50 0.00 0.00 46.19 42.98 1vgl s LEU 87 CO 0.61 -1.05 0.59 0.40 -1.32 0.00 0.00 176.35 175.58 1vgl h ILE 88 N 5.89 1.12 0.00 6.68 2.04 -0.96 -3.44 117.51 128.83 1vgl h ILE 88 Ca -0.30 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.16 1vgl h ILE 88 Cb 1.12 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 1vgl h ILE 88 CO 1.00 0.68 0.00 0.61 0.00 0.00 0.00 178.15 180.45 1vgl n GLY 89 N 1.71 -1.21 3.34 5.37 0.00 -1.20 -4.70 105.19 108.50 1vgl n GLY 89 Ca -0.23 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.65 1vgl n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vgl s LEU 90 N 0.00 1.69 -0.09 0.99 1.43 -0.78 -1.75 118.68 120.18 1vgl s LEU 90 Ca 0.00 -1.53 -0.10 0.00 -1.03 0.00 0.00 54.13 51.47 1vgl s LEU 90 Cb 0.00 0.15 0.02 0.00 0.03 0.00 0.00 46.19 46.39 1vgl s LEU 90 CO 0.00 -0.86 0.27 -0.62 0.23 0.00 0.00 176.35 175.37 1vgl s ASP 91 N -3.38 -0.26 -0.12 2.29 2.15 -0.25 -0.20 116.67 116.91 1vgl s ASP 91 Ca 0.35 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.80 1vgl s ASP 91 Cb 0.05 0.52 0.02 0.00 -0.30 0.00 0.00 42.92 43.21 1vgl s ASP 91 CO 0.17 -0.15 -0.11 -0.22 -0.17 0.00 0.00 175.17 174.69 1vgl s LEU 92 N -0.11 1.44 0.05 -1.34 2.96 -1.26 -0.76 118.68 119.65 1vgl s LEU 92 Ca -0.02 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.58 1vgl s LEU 92 Cb -0.03 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 1vgl s LEU 92 CO 0.01 -0.07 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.03 1vgl s LEU 93 N 1.47 2.62 -0.29 -0.68 1.43 -0.74 -4.98 118.68 117.51 1vgl s LEU 93 Ca 0.02 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1vgl s LEU 93 Cb -0.13 -1.52 0.09 0.00 0.03 0.00 0.00 46.19 44.66 1vgl s LEU 93 CO -0.07 0.25 0.06 -0.47 0.23 0.00 0.00 176.35 176.35 1vgl s TYR 94 N -0.94 1.99 0.17 0.29 5.04 -1.26 -0.58 117.35 122.05 1vgl s TYR 94 Ca 0.15 -1.80 -0.17 0.00 -2.44 0.00 0.00 57.07 52.80 1vgl s TYR 94 Cb -0.10 -1.78 0.06 0.00 0.35 0.00 0.00 41.96 40.49 1vgl s TYR 94 CO 0.06 -0.84 0.82 -0.85 -1.34 0.00 0.00 175.55 173.39 1vgl n GLU 95 N 4.77 0.57 -2.68 4.97 0.28 -0.43 -4.96 120.64 123.16 1vgl n GLU 95 Ca -0.03 -1.27 -0.42 0.00 -0.16 0.00 0.00 57.16 55.28 1vgl n GLU 95 Cb 0.43 1.70 -0.03 0.00 1.43 0.00 0.00 31.44 34.97 1vgl n GLU 95 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1vgl s GLU 96 N -2.04 4.52 -0.15 3.44 2.02 -1.26 -1.19 118.70 124.04 1vgl s GLU 96 Ca 0.18 1.45 -0.34 0.00 0.02 0.00 0.00 54.97 56.28 1vgl s GLU 96 Cb -0.02 -3.47 -0.11 0.00 0.10 0.00 0.00 34.13 30.63 1vgl s GLU 96 CO 0.05 -0.12 1.98 0.44 0.02 0.00 0.00 175.26 177.63 1vgl n ILE 97 N 4.03 0.49 -3.54 -1.63 -0.00 -1.26 -4.93 119.36 112.51 1vgl n ILE 97 Ca 0.07 -0.18 -0.35 0.00 -0.00 0.00 0.00 62.75 62.29 1vgl n ILE 97 Cb 0.50 -1.92 -0.06 0.00 -0.00 0.00 0.00 39.64 38.16 1vgl n ILE 97 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1vgl n GLY 98 N 4.95 4.36 1.00 3.28 0.00 -1.26 -4.71 105.19 112.81 1vgl n GLY 98 Ca 0.27 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.65 1vgl n GLY 98 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vgl n ASP 99 N 1.92 -1.34 -4.23 1.61 4.64 -1.26 -5.04 116.55 112.85 1vgl n ASP 99 Ca 0.24 0.00 -0.43 0.00 -1.38 0.00 0.00 54.79 53.22 1vgl n ASP 99 Cb 0.37 -0.67 -0.05 0.00 -1.04 0.00 0.00 41.12 39.73 1vgl n ASP 99 CO 0.00 0.00 0.00 -1.58 -0.82 0.00 0.00 177.20 174.80 1vgl s GLN 100 N -0.46 3.10 0.00 -0.67 -0.44 -1.26 -5.22 119.66 114.70 1vgl s GLN 100 Ca 0.00 -2.39 0.00 0.00 -2.50 0.00 0.00 55.36 50.47 1vgl s GLN 100 Cb 0.00 -4.13 0.00 0.00 -1.64 0.00 0.00 33.01 27.24 1vgl s GLN 100 CO 0.00 -1.24 0.26 0.00 0.50 0.00 0.00 175.29 174.81