#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgn s ASP 3 N 0.00 -1.39 -0.14 0.00 -4.77 -1.26 -4.99 116.67 104.12 1dgn s ASP 3 Ca 0.00 -1.07 0.10 0.00 -3.30 0.00 0.00 52.55 48.27 1dgn s ASP 3 Cb 0.00 1.79 0.24 0.00 -1.09 0.00 0.00 42.92 43.86 1dgn s ASP 3 CO 0.00 -0.11 1.21 0.00 0.70 0.00 0.00 175.17 176.97 1dgn n GLN 4 N 3.77 0.62 0.10 2.11 1.13 -1.26 -4.98 117.38 118.87 1dgn n GLN 4 Ca 0.13 -1.44 -0.07 0.00 -1.94 0.00 0.00 57.00 53.68 1dgn n GLN 4 Cb 0.57 0.21 -0.04 0.00 0.11 0.00 0.00 30.24 31.09 1dgn n GLN 4 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1dgn h LEU 5 N 0.71 -0.57 -1.65 1.08 6.46 -1.97 -1.72 115.31 117.64 1dgn h LEU 5 Ca -0.45 0.05 0.48 0.00 -0.12 0.00 0.00 57.88 57.85 1dgn h LEU 5 Cb 1.42 0.20 -0.11 0.00 -0.73 0.00 0.00 40.66 41.44 1dgn h LEU 5 CO -0.16 -0.25 1.05 -0.07 -0.62 0.00 0.00 178.44 178.39 1dgn h LEU 6 N -0.37 0.14 0.55 2.25 -0.00 -1.95 0.13 115.31 116.06 1dgn h LEU 6 Ca -0.02 0.08 -0.03 0.00 -0.00 0.00 0.00 57.88 57.92 1dgn h LEU 6 Cb 0.33 0.08 0.01 0.00 -0.00 0.00 0.00 40.66 41.08 1dgn h LEU 6 CO -0.05 -0.12 -0.27 -0.09 -0.00 0.00 0.00 178.44 177.92 1dgn h ARG 7 N 0.04 -0.72 -0.04 1.13 1.12 -1.74 1.24 114.38 115.42 1dgn h ARG 7 Ca 0.85 0.05 0.00 0.00 -1.11 0.00 0.00 59.98 59.77 1dgn h ARG 7 Cb 2.99 0.16 0.00 0.00 -0.01 0.00 0.00 29.97 33.12 1dgn h ARG 7 CO -0.25 -0.48 0.00 1.63 -3.11 0.00 0.00 179.97 177.76 1dgn n LYS 8 N -4.54 0.61 -0.08 0.20 5.02 -0.11 -1.67 118.16 117.59 1dgn n LYS 8 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1dgn n LYS 8 Cb 0.29 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1dgn n LYS 8 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1dgn n LYS 9 N -0.46 0.08 0.19 1.97 4.76 -0.36 -4.82 118.16 119.52 1dgn n LYS 9 Ca 0.00 -0.61 0.03 0.00 -2.87 0.00 0.00 58.31 54.85 1dgn n LYS 9 Cb 0.01 -0.52 0.37 0.00 -1.84 0.00 0.00 35.03 33.05 1dgn n LYS 9 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1dgn h ARG 10 N 0.00 0.00 0.01 1.97 1.12 0.25 -1.23 114.38 116.49 1dgn h ARG 10 Ca 0.00 0.00 -0.20 0.00 -1.11 0.00 0.00 59.98 58.67 1dgn h ARG 10 Cb 1.05 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.00 1dgn h ARG 10 CO 0.00 0.36 -0.88 0.00 -3.11 0.00 0.00 179.97 176.34 1dgn h ARG 11 N 0.00 0.17 0.16 0.20 3.08 -1.83 -2.96 114.38 113.19 1dgn h ARG 11 Ca -0.00 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1dgn h ARG 11 Cb 0.65 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1dgn h ARG 11 CO 0.05 0.94 -0.08 0.82 -1.07 0.00 0.00 179.97 180.63 1dgn h ILE 12 N 0.09 0.00 -0.16 2.04 2.04 -1.82 -2.99 117.51 116.72 1dgn h ILE 12 Ca -0.04 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.08 1dgn h ILE 12 Cb 1.52 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 1dgn h ILE 12 CO 0.13 0.00 -0.46 0.15 0.00 0.00 0.00 178.15 177.97 1dgn h PHE 13 N -0.99 -1.33 -0.49 1.37 3.57 -1.39 -2.07 116.94 115.60 1dgn h PHE 13 Ca -0.02 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.63 1dgn h PHE 13 Cb 0.16 0.60 -0.10 0.00 2.79 0.00 0.00 35.95 39.41 1dgn h PHE 13 CO 0.00 -0.50 -0.16 0.97 -2.23 0.00 0.00 178.31 176.39 1dgn h ILE 14 N -0.51 0.44 -0.93 1.41 2.10 -1.69 0.29 117.51 118.62 1dgn h ILE 14 Ca 0.07 0.00 -0.58 0.00 1.08 0.00 0.00 64.86 65.43 1dgn h ILE 14 Cb 0.64 0.44 -0.13 0.00 -1.09 0.00 0.00 36.82 36.68 1dgn h ILE 14 CO -0.43 0.00 1.39 1.41 -1.08 0.00 0.00 178.15 179.44 1dgn n HIS 15 N -5.38 1.91 0.08 2.19 8.25 -0.80 -4.17 115.22 117.31 1dgn n HIS 15 Ca 0.04 -2.34 0.00 0.00 -0.26 0.00 0.00 57.72 55.16 1dgn n HIS 15 Cb 0.29 -1.66 0.00 0.00 1.12 0.00 0.00 29.99 29.73 1dgn n HIS 15 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1dgn n SER 16 N 1.56 -1.46 -4.65 0.41 7.64 -0.80 -4.88 113.62 111.44 1dgn n SER 16 Ca 0.56 0.48 -0.64 0.00 1.01 0.00 0.00 58.87 60.29 1dgn n SER 16 Cb 0.44 1.60 -0.09 0.00 -1.01 0.00 0.00 64.21 65.15 1dgn n SER 16 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1dgn n VAL 17 N -2.91 0.01 -2.97 0.44 3.14 0.02 -4.90 118.33 111.16 1dgn n VAL 17 Ca 0.00 -0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 1dgn n VAL 17 Cb 0.00 -0.33 -0.06 0.00 -1.06 0.00 0.00 33.84 32.38 1dgn n VAL 17 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1dgn s GLY 18 N 1.78 2.56 0.58 7.55 0.00 -1.26 -4.92 107.32 113.62 1dgn s GLY 18 Ca 0.99 0.27 0.33 0.00 0.00 0.00 0.00 44.72 46.31 1dgn s GLY 18 CO 0.71 0.61 1.60 0.00 0.00 0.00 0.00 173.10 176.01 1dgn h ALA 19 N 2.83 2.93 0.15 3.20 0.00 -1.98 -1.18 119.26 125.20 1dgn h ALA 19 Ca -0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1dgn h ALA 19 Cb 1.19 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1dgn h ALA 19 CO 0.64 -1.53 -0.07 0.78 0.00 0.00 0.00 179.25 179.07 1dgn h GLY 20 N 0.00 -0.21 -0.87 0.00 0.00 -2.00 -3.32 103.07 96.66 1dgn h GLY 20 Ca 0.50 0.08 0.39 0.00 0.00 0.00 0.00 47.33 48.30 1dgn h GLY 20 CO -0.01 -0.08 0.81 -0.84 0.00 0.00 0.00 176.54 176.43 1dgn h THR 21 N -1.02 0.22 0.39 4.70 2.02 -1.61 -0.67 112.91 116.95 1dgn h THR 21 Ca -0.02 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1dgn h THR 21 Cb 0.15 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 1dgn h THR 21 CO 0.03 0.03 -0.50 0.40 0.37 0.00 0.00 175.52 175.85 1dgn h ILE 22 N 0.15 0.00 -0.95 3.11 2.04 -1.58 0.68 117.51 120.96 1dgn h ILE 22 Ca 0.76 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.79 1dgn h ILE 22 Cb 2.33 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 38.32 1dgn h ILE 22 CO -0.38 0.00 0.60 -1.13 0.00 0.00 0.00 178.15 177.25 1dgn h ASN 23 N -0.92 0.71 0.98 1.72 -0.00 -1.24 0.71 115.58 117.54 1dgn h ASN 23 Ca -0.05 0.06 -0.15 0.00 -0.00 0.00 0.00 56.30 56.17 1dgn h ASN 23 Cb 0.83 -0.07 -0.02 0.00 -0.00 0.00 0.00 38.32 39.05 1dgn h ASN 23 CO -0.12 0.32 -0.70 0.00 -0.00 0.00 0.00 177.43 176.92 1dgn h ALA 24 N 1.60 0.67 0.20 1.57 0.00 -1.22 -2.78 119.26 119.31 1dgn h ALA 24 Ca 0.51 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1dgn h ALA 24 Cb 0.81 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1dgn h ALA 24 CO -0.27 0.88 -0.10 1.25 0.00 0.00 0.00 179.25 181.02 1dgn h LEU 25 N 0.00 -0.23 -2.19 0.00 7.12 0.25 -3.02 115.31 117.24 1dgn h LEU 25 Ca -0.01 -0.13 0.00 0.00 0.13 0.00 0.00 57.88 57.87 1dgn h LEU 25 Cb 1.38 0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 41.57 1dgn h LEU 25 CO 0.09 0.29 0.00 0.17 -0.13 0.00 0.00 178.44 178.86 1dgn h LEU 26 N -1.03 0.00 -0.30 2.25 8.10 -1.12 -1.67 115.31 121.54 1dgn h LEU 26 Ca -0.03 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.94 1dgn h LEU 26 Cb 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 1dgn h LEU 26 CO 0.05 0.00 0.11 -0.78 -4.11 0.00 0.00 178.44 173.70 1dgn h ASP 27 N 0.00 0.43 -0.58 0.17 3.58 -1.56 -2.90 116.42 115.56 1dgn h ASP 27 Ca 0.00 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.23 1dgn h ASP 27 Cb 0.01 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 1dgn h ASP 27 CO -0.00 0.50 0.21 0.00 -2.88 0.00 0.00 179.24 177.07 1dgn h LEU 29 N 0.81 -0.39 -0.73 0.00 3.38 -1.27 0.74 115.31 117.85 1dgn h LEU 29 Ca 0.19 0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.40 1dgn h LEU 29 Cb 0.24 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 1dgn h LEU 29 CO -0.01 -0.15 0.39 -0.07 0.09 0.00 0.00 178.44 178.69 1dgn h LEU 30 N 0.06 0.54 -0.92 1.67 3.38 -1.33 -0.80 115.31 117.91 1dgn h LEU 30 Ca 0.29 0.05 0.25 0.00 0.09 0.00 0.00 57.88 58.55 1dgn h LEU 30 Cb 0.46 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.02 1dgn h LEU 30 CO -0.54 0.32 0.40 -0.08 0.09 0.00 0.00 178.44 178.63 1dgn h GLU 31 N 0.68 0.33 0.00 1.13 4.81 -0.76 1.32 114.58 122.09 1dgn h GLU 31 Ca 0.35 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1dgn h GLU 31 Cb 0.31 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1dgn h GLU 31 CO -0.24 0.22 -0.01 -0.44 -0.73 0.00 0.00 179.01 177.82 1dgn h ASP 32 N 0.34 0.00 -3.32 1.04 5.19 -1.01 -3.47 116.42 115.19 1dgn h ASP 32 Ca 0.60 -0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.72 1dgn h ASP 32 Cb 1.21 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.77 1dgn h ASP 32 CO -0.58 0.00 -0.43 -0.62 -3.12 0.00 0.00 179.24 174.49 1dgn n GLU 33 N -2.87 -3.51 0.01 3.56 1.02 0.45 -4.93 120.64 114.37 1dgn n GLU 33 Ca 0.04 0.65 -0.18 0.00 -0.02 0.00 0.00 57.16 57.65 1dgn n GLU 33 Cb 0.50 -4.97 -0.10 0.00 -0.02 0.00 0.00 31.44 26.85 1dgn n GLU 33 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1dgn h VAL 34 N -1.00 1.35 -3.44 2.62 3.04 -1.78 -3.45 116.25 113.58 1dgn h VAL 34 Ca -0.38 -2.11 -0.50 0.00 -1.01 0.00 0.00 66.70 62.70 1dgn h VAL 34 Cb 1.26 2.43 0.01 0.00 -2.01 0.00 0.00 31.29 32.98 1dgn h VAL 34 CO 0.41 0.64 0.02 0.27 -1.01 0.00 0.00 177.57 177.89 1dgn s ILE 35 N -3.33 4.92 0.13 3.17 -4.36 -1.26 -4.98 121.20 115.48 1dgn s ILE 35 Ca -0.12 0.24 -0.04 0.00 -0.26 0.00 0.00 60.65 60.48 1dgn s ILE 35 Cb 0.05 -3.78 -0.05 0.00 1.25 0.00 0.00 42.46 39.93 1dgn s ILE 35 CO 0.87 -0.57 0.35 -0.94 0.24 0.00 0.00 174.94 174.89 1dgn s SER 36 N -3.52 6.46 0.63 4.36 1.04 -1.26 -4.88 113.70 116.53 1dgn s SER 36 Ca 0.47 0.53 0.22 0.00 0.48 0.00 0.00 55.95 57.66 1dgn s SER 36 Cb -0.10 -2.07 1.04 0.00 0.10 0.00 0.00 66.02 64.99 1dgn s SER 36 CO 0.35 0.06 1.55 -0.61 0.98 0.00 0.00 173.24 175.57 1dgn h GLN 37 N 2.80 0.00 -0.03 4.02 -0.00 -1.98 1.27 115.11 121.18 1dgn h GLN 37 Ca -0.46 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.00 1dgn h GLN 37 Cb 1.17 0.00 0.01 0.00 0.00 0.00 0.00 27.48 28.66 1dgn h GLN 37 CO 0.73 0.00 -0.72 0.93 0.00 0.00 0.00 178.83 179.77 1dgn h GLU 38 N 0.00 0.55 -0.11 1.69 5.08 -2.00 -2.84 114.58 116.96 1dgn h GLU 38 Ca 0.20 -0.54 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 1dgn h GLU 38 Cb 1.72 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1dgn h GLU 38 CO -0.00 1.17 -0.23 -0.44 -1.00 0.00 0.00 179.01 178.50 1dgn h ASP 39 N 0.13 0.39 -0.95 1.42 3.32 0.11 -2.86 116.42 117.98 1dgn h ASP 39 Ca -0.08 -0.57 0.23 0.00 0.02 0.00 0.00 57.03 56.63 1dgn h ASP 39 Cb 1.39 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.76 1dgn h ASP 39 CO 0.14 0.89 0.63 -0.03 -1.72 0.00 0.00 179.24 179.15 1dgn h MET 40 N -0.09 0.38 -0.32 3.56 4.05 -0.93 0.48 114.93 122.06 1dgn h MET 40 Ca 0.00 -0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 59.27 1dgn h MET 40 Cb 0.83 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.53 1dgn h MET 40 CO 0.05 0.25 -0.31 -0.91 0.23 0.00 0.00 176.91 176.22 1dgn h ASN 41 N 0.39 0.72 -0.46 1.39 -0.26 -1.35 -1.69 115.58 114.32 1dgn h ASN 41 Ca 0.51 -0.29 0.09 0.00 -0.56 0.00 0.00 56.30 56.05 1dgn h ASN 41 Cb 1.30 -0.20 -0.08 0.00 -1.06 0.00 0.00 38.32 38.28 1dgn h ASN 41 CO -0.20 0.98 -0.06 0.50 -1.06 0.00 0.00 177.43 177.58 1dgn h LYS 42 N 0.59 0.05 0.02 0.81 3.11 0.19 0.34 116.57 121.68 1dgn h LYS 42 Ca 0.07 -0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 57.64 1dgn h LYS 42 Cb 0.82 -0.01 0.02 0.00 -1.00 0.00 0.00 32.23 32.06 1dgn h LYS 42 CO 0.07 0.03 -1.06 0.28 -2.81 0.00 0.00 179.45 175.96 1dgn h VAL 43 N 0.05 1.31 0.00 2.00 2.07 -1.47 -3.19 116.25 117.02 1dgn h VAL 43 Ca 0.23 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.40 1dgn h VAL 43 Cb 0.35 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1dgn h VAL 43 CO -0.44 0.72 0.00 -1.14 0.02 0.00 0.00 177.57 176.73 1dgn n ARG 44 N -3.81 0.02 0.02 1.57 3.00 -0.64 -2.51 116.66 114.31 1dgn n ARG 44 Ca -0.10 0.22 0.06 0.00 -0.00 0.00 0.00 57.85 58.02 1dgn n ARG 44 Cb 0.89 -1.53 0.28 0.00 0.00 0.00 0.00 32.46 32.10 1dgn n ARG 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1dgn n ASP 45 N -1.56 0.11 -2.87 6.15 8.00 0.12 -4.93 116.55 121.56 1dgn n ASP 45 Ca 0.04 0.53 -0.01 0.00 0.71 0.00 0.00 54.79 56.06 1dgn n ASP 45 Cb 0.21 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1dgn n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1dgn n GLU 46 N -1.63 -2.56 -0.01 -1.24 1.02 -1.04 -4.98 120.64 110.19 1dgn n GLU 46 Ca 0.02 2.20 -0.01 0.00 -0.02 0.00 0.00 57.16 59.36 1dgn n GLU 46 Cb 0.14 -4.16 -0.00 0.00 -0.02 0.00 0.00 31.44 27.39 1dgn n GLU 46 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1dgn h ASN 47 N 3.14 -0.04 0.00 1.62 2.35 -1.87 -3.51 115.58 117.28 1dgn h ASN 47 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1dgn h ASN 47 Cb 0.34 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1dgn h ASN 47 CO 0.08 0.27 0.00 -0.67 -1.65 0.00 0.00 177.43 175.46 1dgn n ASP 48 N -3.75 4.28 -2.83 5.81 2.03 -1.26 -5.06 116.55 115.77 1dgn n ASP 48 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1dgn n ASP 48 Cb 0.02 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1dgn n ASP 48 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1dgn n THR 49 N 0.00 0.00 -0.21 5.18 -2.24 -1.26 -4.52 114.28 111.23 1dgn n THR 49 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1dgn n THR 49 Cb 0.00 -0.35 0.12 0.00 -2.10 0.00 0.00 70.33 67.99 1dgn n THR 49 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1dgn h VAL 50 N -1.82 1.25 -0.83 2.28 2.07 -1.97 -1.41 116.25 115.82 1dgn h VAL 50 Ca 0.00 -0.88 0.18 0.00 0.82 0.00 0.00 66.70 66.82 1dgn h VAL 50 Cb 0.00 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 1dgn h VAL 50 CO 0.00 0.34 0.55 0.24 0.02 0.00 0.00 177.57 178.72 1dgn h MET 51 N 0.97 0.38 0.14 1.57 2.86 -1.90 0.35 114.93 119.30 1dgn h MET 51 Ca 0.21 -0.02 -0.33 0.00 -2.06 0.00 0.00 59.70 57.50 1dgn h MET 51 Cb 0.31 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1dgn h MET 51 CO -0.00 0.25 -1.70 0.22 1.06 0.00 0.00 176.91 176.74 1dgn h ASP 52 N 0.39 0.45 0.41 1.22 1.82 -1.76 -3.04 116.42 115.91 1dgn h ASP 52 Ca 0.42 -0.90 -0.07 0.00 -0.39 0.00 0.00 57.03 56.10 1dgn h ASP 52 Cb 1.03 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.88 1dgn h ASP 52 CO -0.14 1.75 -0.31 0.11 -1.61 0.00 0.00 179.24 179.03 1dgn h LYS 53 N -0.09 0.00 0.01 0.28 1.57 -0.68 -3.07 116.57 114.59 1dgn h LYS 53 Ca -0.36 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1dgn h LYS 53 Cb 1.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.24 1dgn h LYS 53 CO 0.09 0.31 -0.00 0.00 -0.57 0.00 0.00 179.45 179.28 1dgn h ALA 54 N 1.69 -0.01 -0.93 3.86 0.00 -0.47 -2.64 119.26 120.75 1dgn h ALA 54 Ca -0.00 -0.33 0.27 0.00 0.00 0.00 0.00 54.91 54.84 1dgn h ALA 54 Cb 0.60 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.23 1dgn h ALA 54 CO 0.04 -0.02 0.16 -0.09 0.00 0.00 0.00 179.25 179.33 1dgn h ARG 55 N -0.98 0.09 0.03 0.00 9.65 -1.53 0.22 114.38 121.85 1dgn h ARG 55 Ca -0.00 -0.01 -0.27 0.00 -1.10 0.00 0.00 59.98 58.60 1dgn h ARG 55 Cb 0.67 -0.02 0.02 0.00 -1.39 0.00 0.00 29.97 29.25 1dgn h ARG 55 CO 0.00 0.06 -1.09 -0.39 2.80 0.00 0.00 179.97 181.35 1dgn h VAL 56 N 0.09 1.29 0.65 0.20 -1.51 -1.66 -2.87 116.25 112.44 1dgn h VAL 56 Ca 0.59 -2.31 -0.03 0.00 -1.23 0.00 0.00 66.70 63.73 1dgn h VAL 56 Cb 1.25 2.45 -0.00 0.00 -2.13 0.00 0.00 31.29 32.86 1dgn h VAL 56 CO -0.79 0.71 -0.41 0.25 -1.23 0.00 0.00 177.57 176.11 1dgn h LEU 57 N 0.36 -1.03 -1.56 4.19 5.85 -0.29 0.73 115.31 123.56 1dgn h LEU 57 Ca -0.14 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1dgn h LEU 57 Cb 1.74 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 43.05 1dgn h LEU 57 CO 0.21 -0.63 0.31 -0.29 -0.34 0.00 0.00 178.44 177.70 1dgn h ILE 58 N -1.00 1.09 0.30 4.05 2.10 -1.11 -2.82 117.51 120.14 1dgn h ILE 58 Ca -0.08 -0.20 -0.01 0.00 1.08 0.00 0.00 64.86 65.64 1dgn h ILE 58 Cb 0.81 0.45 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 1dgn h ILE 58 CO 0.08 0.11 -0.15 -0.78 -1.08 0.00 0.00 178.15 176.33 1dgn h ASP 59 N 0.59 -0.35 -0.39 2.19 1.82 -1.25 -3.10 116.42 115.94 1dgn h ASP 59 Ca 0.18 -0.19 0.08 0.00 -0.39 0.00 0.00 57.03 56.71 1dgn h ASP 59 Cb -0.01 0.09 -0.09 0.00 0.68 0.00 0.00 39.33 39.99 1dgn h ASP 59 CO -0.04 0.04 -0.36 -0.07 -1.61 0.00 0.00 179.24 177.21 1dgn h LEU 60 N -0.79 -1.18 -0.58 2.28 3.38 -0.70 -1.23 115.31 116.50 1dgn h LEU 60 Ca -0.04 0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.23 1dgn h LEU 60 Cb 0.51 0.54 -0.11 0.00 0.09 0.00 0.00 40.66 41.69 1dgn h LEU 60 CO 0.07 -0.34 -0.34 0.58 0.09 0.00 0.00 178.44 178.50 1dgn h VAL 61 N -0.28 0.16 -0.14 1.22 2.07 -1.57 0.60 116.25 118.31 1dgn h VAL 61 Ca 0.16 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.72 1dgn h VAL 61 Cb 0.55 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1dgn h VAL 61 CO -0.55 0.00 0.12 0.74 0.02 0.00 0.00 177.57 177.90 1dgn h THR 62 N -0.17 0.74 -0.19 2.57 2.02 -1.22 -1.35 112.91 115.30 1dgn h THR 62 Ca 0.22 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.28 1dgn h THR 62 Cb 0.55 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1dgn h THR 62 CO -0.67 0.00 -0.41 1.23 0.37 0.00 0.00 175.52 176.03 1dgn h GLY 63 N 0.00 0.50 -1.96 2.16 0.00 0.13 -2.95 103.07 100.95 1dgn h GLY 63 Ca 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1dgn h GLY 63 CO -0.00 0.45 0.00 0.28 0.00 0.00 0.00 176.54 177.27 1dgn n LYS 64 N -4.02 0.88 0.00 4.80 4.76 -0.51 -4.94 118.16 119.13 1dgn n LYS 64 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1dgn n LYS 64 Cb 0.51 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 32.62 1dgn n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dgn n GLY 65 N 0.54 -2.09 0.14 0.72 0.00 -1.11 -4.37 105.19 99.01 1dgn n GLY 65 Ca 0.00 -1.49 0.13 0.00 0.00 0.00 0.00 46.02 44.65 1dgn n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dgn h PRO 66 N 0.00 0.00 -0.09 1.61 0.13 -1.88 -3.09 132.00 128.68 1dgn h PRO 66 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.16 1dgn h PRO 66 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1dgn h PRO 66 CO 0.00 0.00 0.08 -0.22 -0.23 0.00 0.00 178.00 177.63 1dgn h LYS 67 N 0.00 0.00 0.06 0.86 3.11 -1.94 -1.36 116.57 117.29 1dgn h LYS 67 Ca 0.00 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.56 1dgn h LYS 67 Cb 0.54 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 31.80 1dgn h LYS 67 CO 0.00 0.00 -1.15 1.03 -2.81 0.00 0.00 179.45 176.52 1dgn h SER 68 N 0.00 0.91 -1.04 4.20 0.87 -1.74 -3.28 113.55 113.47 1dgn h SER 68 Ca 0.04 -0.78 0.35 0.00 -1.23 0.00 0.00 61.79 60.17 1dgn h SER 68 Cb 0.20 -0.28 -0.15 0.00 -0.44 0.00 0.00 62.40 61.73 1dgn h SER 68 CO -0.00 1.58 0.60 0.00 -0.53 0.00 0.00 176.83 178.48 1dgn h LYS 71 N -0.61 0.65 0.42 0.00 1.57 -1.41 -1.93 116.57 115.25 1dgn h LYS 71 Ca -0.05 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1dgn h LYS 71 Cb 0.49 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1dgn h LYS 71 CO 0.05 0.43 -0.32 0.35 -0.57 0.00 0.00 179.45 179.40 1dgn h PHE 72 N 0.67 -0.84 -0.68 -1.35 3.04 -0.98 0.15 116.94 116.95 1dgn h PHE 72 Ca 0.54 -0.00 0.15 0.00 3.98 0.00 0.00 57.97 62.64 1dgn h PHE 72 Cb 0.97 0.31 -0.04 0.00 2.56 0.00 0.00 35.95 39.75 1dgn h PHE 72 CO -0.00 -0.47 0.46 0.82 -2.02 0.00 0.00 178.31 177.10 1dgn h ILE 73 N -0.73 0.78 0.00 1.41 2.04 -0.54 0.14 117.51 120.62 1dgn h ILE 73 Ca -0.04 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1dgn h ILE 73 Cb 0.62 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1dgn h ILE 73 CO 0.00 0.05 -0.00 0.11 0.00 0.00 0.00 178.15 178.31 1dgn h LYS 74 N 0.29 -0.00 -0.26 2.37 1.57 -0.95 -2.91 116.57 116.67 1dgn h LYS 74 Ca 0.33 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1dgn h LYS 74 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1dgn h LYS 74 CO -0.08 0.73 0.13 0.45 -0.57 0.00 0.00 179.45 180.11 1dgn h HIS 75 N -0.75 0.37 -0.87 -1.35 3.86 -0.14 -2.68 115.15 113.59 1dgn h HIS 75 Ca -0.00 -0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.28 1dgn h HIS 75 Cb 0.74 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 29.03 1dgn h HIS 75 CO 0.19 0.34 0.57 1.25 0.86 0.00 0.00 177.93 181.13 1dgn h LEU 76 N 0.29 0.80 -1.09 2.43 5.85 -0.86 -0.31 115.31 122.42 1dgn h LEU 76 Ca 0.09 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1dgn h LEU 76 Cb 0.11 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1dgn h LEU 76 CO -0.01 0.49 0.52 0.00 -0.34 0.00 0.00 178.44 179.09 1dgn h GLU 78 N 1.16 0.00 0.00 0.00 5.08 -1.07 -3.33 114.58 116.42 1dgn h GLU 78 Ca 0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1dgn h GLU 78 Cb -0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1dgn h GLU 78 CO -0.06 0.68 -0.01 0.93 -1.00 0.00 0.00 179.01 179.56 1dgn h GLU 79 N 0.00 0.00 -4.29 2.33 4.39 -0.57 -3.45 114.58 113.00 1dgn h GLU 79 Ca -0.01 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.08 1dgn h GLU 79 Cb 1.51 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 29.77 1dgn h GLU 79 CO 0.09 0.46 -0.77 0.34 -1.16 0.00 0.00 179.01 177.97 1dgn s ASP 80 N -5.87 4.04 0.41 1.42 -1.08 0.67 -5.00 116.67 111.26 1dgn s ASP 80 Ca -0.09 -1.42 0.22 0.00 -0.52 0.00 0.00 52.55 50.75 1dgn s ASP 80 Cb -0.01 -1.21 0.29 0.00 -1.46 0.00 0.00 42.92 40.53 1dgn s ASP 80 CO 0.32 -0.29 1.54 1.55 0.52 0.00 0.00 175.17 178.81 1dgn h PRO 81 N 7.92 0.00 0.17 4.34 0.13 -1.78 -2.73 132.00 140.05 1dgn h PRO 81 Ca -0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 1dgn h PRO 81 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1dgn h PRO 81 CO 0.44 0.03 -0.08 0.37 -0.23 0.00 0.00 178.00 178.52 1dgn h GLN 82 N 0.00 -0.23 -0.69 0.86 -0.00 -1.94 -3.14 115.11 109.97 1dgn h GLN 82 Ca -0.00 0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.68 1dgn h GLN 82 Cb 1.02 0.05 -0.04 0.00 0.00 0.00 0.00 27.48 28.52 1dgn h GLN 82 CO 0.00 -0.15 0.45 1.25 0.00 0.00 0.00 178.83 180.39 1dgn h LEU 83 N -0.40 0.77 -0.01 -2.39 5.85 -1.97 -0.62 115.31 116.54 1dgn h LEU 83 Ca -0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1dgn h LEU 83 Cb 0.18 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1dgn h LEU 83 CO 0.04 0.55 0.14 0.00 -0.34 0.00 0.00 178.44 178.83 1dgn n ALA 84 N -2.30 0.72 -0.26 1.25 0.00 -1.03 -1.16 120.51 117.74 1dgn n ALA 84 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.45 1dgn n ALA 84 Cb 0.04 -0.72 0.05 0.00 0.00 0.00 0.00 19.45 18.82 1dgn n ALA 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1dgn h SER 85 N 0.00 0.87 1.26 0.00 0.87 -1.05 2.09 113.55 117.59 1dgn h SER 85 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1dgn h SER 85 Cb 0.28 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1dgn h SER 85 CO 0.00 0.70 -0.57 0.11 -0.53 0.00 0.00 176.83 176.53 1dgn h LYS 86 N 0.97 0.00 -0.16 2.24 1.57 -1.33 -3.31 116.57 116.55 1dgn h LYS 86 Ca 0.25 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 1dgn h LYS 86 Cb -0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1dgn h LYS 86 CO -0.04 0.00 -0.20 -1.33 -0.57 0.00 0.00 179.45 177.30 1dgn n MET 87 N -2.61 1.78 -3.09 3.15 2.81 -0.82 -4.74 117.12 113.61 1dgn n MET 87 Ca 0.02 -3.09 -0.19 0.00 -1.81 0.00 0.00 57.70 52.63 1dgn n MET 87 Cb 0.51 -1.70 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 1dgn n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1dgn n GLY 88 N -1.11 3.75 0.37 3.03 0.00 0.70 -4.87 105.19 107.07 1dgn n GLY 88 Ca 0.24 -1.84 0.32 0.00 0.00 0.00 0.00 46.02 44.74 1dgn n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dgn n LEU 89 N 0.15 0.18 0.00 0.99 7.99 -1.26 -4.89 117.00 120.16 1dgn n LEU 89 Ca 0.25 1.13 0.00 0.00 -0.01 0.00 0.00 56.01 57.38 1dgn n LEU 89 Cb 0.64 -0.56 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 1dgn n LEU 89 CO 0.24 -1.24 0.00 1.57 -1.51 0.00 0.00 177.39 176.45