#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 -1.34 -0.35 0.00 -4.77 -1.26 -5.01 116.67 103.94 1dgn s ASP 3 Ca 0.00 -1.12 0.14 0.00 -3.30 0.00 0.00 52.55 48.26 1dgn s ASP 3 Cb 0.00 1.74 0.43 0.00 -1.09 0.00 0.00 42.92 43.99 1dgn s ASP 3 CO 0.00 -0.10 1.31 0.00 0.70 0.00 0.00 175.17 177.08 1dgn n GLN 4 N 3.62 1.31 0.44 2.11 1.13 -1.26 -4.97 117.38 119.76 1dgn n GLN 4 Ca 0.14 -2.14 -0.17 0.00 -1.94 0.00 0.00 57.00 52.89 1dgn n GLN 4 Cb 0.57 -0.34 -0.08 0.00 0.11 0.00 0.00 30.24 30.50 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 1.97 -0.95 -0.58 1.08 6.46 -2.00 -3.04 115.31 118.25 1dgn h LEU 5 Ca -0.28 0.03 0.10 0.00 -0.12 0.00 0.00 57.88 57.61 1dgn h LEU 5 Cb 1.27 0.24 -0.11 0.00 -0.73 0.00 0.00 40.66 41.34 1dgn h LEU 5 CO 0.03 -0.62 -0.37 -0.07 -0.62 0.00 0.00 178.44 176.79 1dgn h LEU 6 N -1.23 -1.28 -0.99 2.25 -0.00 -1.94 0.18 115.31 112.30 1dgn h LEU 6 Ca -0.11 0.23 0.16 0.00 -0.00 0.00 0.00 57.88 58.16 1dgn h LEU 6 Cb 0.86 0.61 -0.17 0.00 -0.00 0.00 0.00 40.66 41.96 1dgn h LEU 6 CO 0.19 -0.32 -0.36 -0.09 -0.00 0.00 0.00 178.44 177.86 1dgn h ARG 7 N -0.19 -0.00 -0.18 1.13 2.43 -1.96 2.24 114.38 117.85 1dgn h ARG 7 Ca 0.21 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.27 1dgn h ARG 7 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1dgn h ARG 7 CO -0.68 -0.00 -0.33 0.87 -1.51 0.00 0.00 179.97 178.31 1dgn h LYS 8 N -0.00 0.55 -0.03 0.20 1.57 -1.05 -2.99 116.57 114.81 1dgn h LYS 8 Ca 0.37 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1dgn h LYS 8 Cb 0.62 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1dgn h LYS 8 CO -0.99 0.95 0.00 1.63 -0.57 0.00 0.00 179.45 180.47 1dgn n LYS 9 N -4.32 1.08 -0.32 3.15 4.76 0.49 -3.92 118.16 119.08 1dgn n LYS 9 Ca -0.06 -0.12 -0.01 0.00 -2.87 0.00 0.00 58.31 55.25 1dgn n LYS 9 Cb 0.49 -1.16 0.12 0.00 -1.84 0.00 0.00 35.03 32.65 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 0.22 1.05 0.00 1.97 2.43 0.38 0.11 114.38 120.53 1dgn h ARG 10 Ca 0.00 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 1dgn h ARG 10 Cb 0.05 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 1dgn h ARG 10 CO 0.00 0.69 -0.60 0.07 -1.51 0.00 0.00 179.97 178.63 1dgn h ARG 11 N 1.08 0.00 0.00 0.20 0.11 -1.80 -2.96 114.38 111.01 1dgn h ARG 11 Ca 0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.44 1dgn h ARG 11 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 1dgn h ARG 11 CO -0.13 0.60 0.00 -0.89 0.10 0.00 0.00 179.97 179.64 1dgn n ILE 12 N -3.44 0.00 -0.20 0.08 5.41 -0.65 -2.84 119.36 117.72 1dgn n ILE 12 Ca 0.00 0.64 -0.02 0.00 1.00 0.00 0.00 62.75 64.37 1dgn n ILE 12 Cb 0.69 -1.58 0.05 0.00 -0.71 0.00 0.00 39.64 38.09 1dgn n ILE 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1dgn h PHE 13 N 0.00 -0.46 -0.28 1.39 3.57 -1.00 -1.55 116.94 118.61 1dgn h PHE 13 Ca 0.00 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1dgn h PHE 13 Cb 0.00 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 1dgn h PHE 13 CO 0.04 -0.29 -0.08 0.97 -2.23 0.00 0.00 178.31 176.71 1dgn h ILE 14 N -0.05 0.69 -1.43 1.41 2.10 -1.69 0.09 117.51 118.63 1dgn h ILE 14 Ca 0.27 0.00 -0.67 0.00 1.08 0.00 0.00 64.86 65.54 1dgn h ILE 14 Cb 0.48 0.69 -0.19 0.00 -1.09 0.00 0.00 36.82 36.70 1dgn h ILE 14 CO -0.63 0.00 1.29 1.41 -1.08 0.00 0.00 178.15 179.14 1dgn n HIS 15 N -5.26 2.33 0.00 2.19 8.25 -0.60 -4.04 115.22 118.10 1dgn n HIS 15 Ca -0.00 -2.40 0.00 0.00 -0.26 0.00 0.00 57.72 55.06 1dgn n HIS 15 Cb 0.18 -1.48 0.00 0.00 1.12 0.00 0.00 29.99 29.81 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 0.81 0.00 -4.71 0.41 7.64 -1.05 -4.88 113.62 111.84 1dgn n SER 16 Ca 0.54 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 60.00 1dgn n SER 16 Cb 0.35 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 1dgn n SER 16 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1dgn s VAL 17 N -0.65 2.57 0.26 0.44 0.11 -0.01 -4.98 120.40 118.15 1dgn s VAL 17 Ca 0.00 0.28 -0.25 0.00 -2.93 0.00 0.00 61.98 59.08 1dgn s VAL 17 Cb 0.00 -3.18 -0.09 0.00 -1.53 0.00 0.00 36.38 31.58 1dgn s VAL 17 CO 0.00 0.01 0.87 -0.83 -3.33 0.00 0.00 175.10 171.82 1dgn s GLY 18 N 1.76 2.85 0.56 6.54 0.00 -1.26 -4.92 107.32 112.85 1dgn s GLY 18 Ca 0.74 0.44 0.40 0.00 0.00 0.00 0.00 44.72 46.31 1dgn s GLY 18 CO 0.33 0.91 1.65 0.00 0.00 0.00 0.00 173.10 175.98 1dgn h ALA 19 N 3.62 3.33 0.27 3.20 0.00 -1.98 -1.40 119.26 126.30 1dgn h ALA 19 Ca -0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1dgn h ALA 19 Cb 1.20 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1dgn h ALA 19 CO 0.66 -1.84 -0.13 0.78 0.00 0.00 0.00 179.25 178.71 1dgn h GLY 20 N 0.00 -0.38 -0.72 0.00 0.00 -2.02 -3.30 103.07 96.66 1dgn h GLY 20 Ca 0.68 0.14 0.36 0.00 0.00 0.00 0.00 47.33 48.51 1dgn h GLY 20 CO -0.01 -0.14 0.56 -0.84 0.00 0.00 0.00 176.54 176.12 1dgn h THR 21 N -0.77 0.18 -0.15 4.70 2.02 -1.63 0.35 112.91 117.61 1dgn h THR 21 Ca -0.04 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.12 1dgn h THR 21 Cb 0.28 -0.03 -0.07 0.00 -1.74 0.00 0.00 68.15 66.59 1dgn h THR 21 CO 0.06 0.04 -0.39 0.40 0.37 0.00 0.00 175.52 175.99 1dgn h ILE 22 N 0.20 0.18 -0.81 3.11 2.04 -1.56 0.82 117.51 121.48 1dgn h ILE 22 Ca 0.78 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.76 1dgn h ILE 22 Cb 1.91 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 38.09 1dgn h ILE 22 CO -0.66 0.00 0.43 -1.13 0.00 0.00 0.00 178.15 176.79 1dgn h ASN 23 N -0.46 0.57 1.06 1.72 -0.73 -1.01 0.68 115.58 117.42 1dgn h ASN 23 Ca 0.09 0.07 -0.08 0.00 1.87 0.00 0.00 56.30 58.24 1dgn h ASN 23 Cb 0.60 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.15 1dgn h ASN 23 CO -0.40 0.30 -0.39 0.00 -0.37 0.00 0.00 177.43 176.57 1dgn h ALA 24 N 1.49 0.90 0.14 1.57 0.00 -1.12 -2.91 119.26 119.34 1dgn h ALA 24 Ca 0.42 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1dgn h ALA 24 Cb 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1dgn h ALA 24 CO -0.30 0.48 -0.07 1.25 0.00 0.00 0.00 179.25 180.62 1dgn h LEU 25 N 0.00 -0.16 -1.98 0.00 7.12 0.24 -3.03 115.31 117.50 1dgn h LEU 25 Ca -0.00 -0.13 0.09 0.00 0.13 0.00 0.00 57.88 57.97 1dgn h LEU 25 Cb 1.02 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 41.18 1dgn h LEU 25 CO 0.05 0.37 0.25 0.17 -0.13 0.00 0.00 178.44 179.14 1dgn h LEU 26 N -1.03 0.02 -0.21 2.25 8.10 -1.06 -1.11 115.31 122.27 1dgn h LEU 26 Ca -0.02 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.95 1dgn h LEU 26 Cb 0.28 -0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.48 1dgn h LEU 26 CO 0.03 0.01 0.06 -0.78 -4.11 0.00 0.00 178.44 173.66 1dgn h ASP 27 N 0.02 0.31 -0.81 0.17 1.82 -1.59 -2.91 116.42 113.43 1dgn h ASP 27 Ca 0.16 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1dgn h ASP 27 Cb 0.62 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.51 1dgn h ASP 27 CO -0.01 0.44 0.51 0.00 -1.61 0.00 0.00 179.24 178.58 1dgn h LEU 29 N 1.10 -0.12 -0.85 0.00 3.38 -1.24 0.15 115.31 117.73 1dgn h LEU 29 Ca 0.29 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.49 1dgn h LEU 29 Cb -0.08 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 1dgn h LEU 29 CO -0.06 -0.06 0.51 -0.07 0.09 0.00 0.00 178.44 178.85 1dgn h LEU 30 N 0.19 0.75 -1.09 1.67 3.38 -1.30 -0.36 115.31 118.55 1dgn h LEU 30 Ca 0.34 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.47 1dgn h LEU 30 Cb 0.55 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 1dgn h LEU 30 CO -0.48 0.44 0.62 -0.08 0.09 0.00 0.00 178.44 179.02 1dgn h GLU 31 N 0.87 0.91 0.00 1.13 4.57 -0.61 0.30 114.58 121.74 1dgn h GLU 31 Ca 0.40 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 1dgn h GLU 31 Cb 0.31 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1dgn h GLU 31 CO -0.22 0.60 0.00 -0.44 -1.18 0.00 0.00 179.01 177.77 1dgn h ASP 32 N 0.94 0.00 -2.12 1.04 3.32 -0.65 -3.47 116.42 115.48 1dgn h ASP 32 Ca 0.47 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.22 1dgn h ASP 32 Cb 0.50 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1dgn h ASP 32 CO -0.24 0.00 -0.38 -0.62 -1.72 0.00 0.00 179.24 176.28 1dgn n GLU 33 N -2.82 -1.20 0.03 3.56 1.02 0.11 -4.92 120.64 116.42 1dgn n GLU 33 Ca 0.03 0.73 -0.19 0.00 -0.02 0.00 0.00 57.16 57.71 1dgn n GLU 33 Cb 0.40 -5.07 -0.12 0.00 -0.02 0.00 0.00 31.44 26.63 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 0.00 1.44 -3.42 2.62 3.04 -1.80 -3.46 116.25 114.67 1dgn h VAL 34 Ca -0.36 -2.28 -0.50 0.00 -1.01 0.00 0.00 66.70 62.55 1dgn h VAL 34 Cb 1.26 2.81 0.00 0.00 -2.01 0.00 0.00 31.29 33.35 1dgn h VAL 34 CO 0.42 0.66 -0.01 0.27 -1.01 0.00 0.00 177.57 177.90 1dgn s ILE 35 N -2.92 4.92 0.16 3.17 -4.36 -1.26 -5.03 121.20 115.88 1dgn s ILE 35 Ca -0.13 0.27 0.04 0.00 -0.26 0.00 0.00 60.65 60.57 1dgn s ILE 35 Cb 0.03 -3.75 -0.04 0.00 1.25 0.00 0.00 42.46 39.95 1dgn s ILE 35 CO 0.84 -0.47 0.21 -0.44 0.24 0.00 0.00 174.94 175.32 1dgn s SER 36 N -3.31 5.89 0.55 4.36 0.01 -1.26 -4.90 113.70 115.05 1dgn s SER 36 Ca 0.47 0.00 0.42 0.00 1.31 0.00 0.00 55.95 58.16 1dgn s SER 36 Cb -0.10 -1.65 1.62 0.00 0.21 0.00 0.00 66.02 66.09 1dgn s SER 36 CO 0.32 0.06 1.69 -0.61 0.41 0.00 0.00 173.24 175.11 1dgn h GLN 37 N 2.25 0.00 -0.08 12.44 -0.00 -1.99 0.70 115.11 128.43 1dgn h GLN 37 Ca -0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.14 1dgn h GLN 37 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.68 1dgn h GLN 37 CO 0.65 0.00 -0.05 0.93 0.00 0.00 0.00 178.83 180.37 1dgn h GLU 38 N 0.00 0.18 -0.04 1.69 4.39 -2.00 -2.81 114.58 116.00 1dgn h GLU 38 Ca 0.72 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 60.33 1dgn h GLU 38 Cb 2.95 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 31.59 1dgn h GLU 38 CO -0.01 0.56 0.00 -0.44 -1.16 0.00 0.00 179.01 177.96 1dgn h ASP 39 N -0.20 0.06 -1.18 1.42 5.19 -0.07 -2.65 116.42 118.99 1dgn h ASP 39 Ca 0.02 -0.30 0.34 0.00 -0.62 0.00 0.00 57.03 56.46 1dgn h ASP 39 Cb 0.51 -0.02 -0.08 0.00 0.18 0.00 0.00 39.33 39.92 1dgn h ASP 39 CO 0.01 0.35 0.80 -0.03 -3.12 0.00 0.00 179.24 177.26 1dgn h MET 40 N -0.22 0.17 -0.13 3.56 1.85 -1.05 1.00 114.93 120.11 1dgn h MET 40 Ca 0.01 -0.01 -0.17 0.00 -0.61 0.00 0.00 59.70 58.92 1dgn h MET 40 Cb 0.32 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.30 1dgn h MET 40 CO 0.00 0.11 -0.64 -0.91 -0.40 0.00 0.00 176.91 175.08 1dgn h ASN 41 N 0.18 0.55 -0.55 1.39 -0.26 -1.20 -2.01 115.58 113.68 1dgn h ASN 41 Ca 0.63 -0.33 0.10 0.00 -0.56 0.00 0.00 56.30 56.15 1dgn h ASN 41 Cb 2.07 -0.16 -0.08 0.00 -1.06 0.00 0.00 38.32 39.09 1dgn h ASN 41 CO -0.19 1.05 0.12 0.50 -1.06 0.00 0.00 177.43 177.85 1dgn h LYS 42 N 0.35 0.25 0.08 0.81 3.11 0.13 0.22 116.57 121.52 1dgn h LYS 42 Ca -0.01 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1dgn h LYS 42 Cb 1.19 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.37 1dgn h LYS 42 CO 0.11 0.17 -0.04 0.28 -2.81 0.00 0.00 179.45 177.16 1dgn h VAL 43 N 0.26 1.02 0.00 2.00 2.07 -1.52 -3.21 116.25 116.87 1dgn h VAL 43 Ca 0.28 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1dgn h VAL 43 Cb 0.40 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1dgn h VAL 43 CO -0.36 0.30 0.31 -0.09 0.02 0.00 0.00 177.57 177.75 1dgn h ARG 44 N -0.90 0.00 0.00 1.57 9.65 -1.21 0.39 114.38 123.89 1dgn h ARG 44 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1dgn h ARG 44 Cb 0.58 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 1dgn h ARG 44 CO 0.02 0.00 0.00 -3.47 2.80 0.00 0.00 179.97 179.32 1dgn n ASP 45 N -2.19 0.00 -1.98 -3.80 2.03 0.05 -4.93 116.55 105.72 1dgn n ASP 45 Ca -0.01 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 54.96 1dgn n ASP 45 Cb 0.34 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 1dgn n ASP 45 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1dgn n GLU 46 N -1.07 -0.77 0.02 -0.67 -0.00 0.14 -4.93 120.64 113.36 1dgn n GLU 46 Ca 0.10 0.76 -0.02 0.00 -0.00 0.00 0.00 57.16 58.01 1dgn n GLU 46 Cb 0.07 -0.53 -0.01 0.00 -0.00 0.00 0.00 31.44 30.97 1dgn n GLU 46 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1dgn h ASN 47 N 3.84 -0.08 0.00 -1.84 2.35 -1.89 -3.51 115.58 114.46 1dgn h ASN 47 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dgn h ASN 47 Cb 0.06 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1dgn h ASN 47 CO 0.00 0.10 0.00 -0.67 -1.65 0.00 0.00 177.43 175.21 1dgn n ASP 48 N -3.15 4.00 -4.43 5.81 2.03 -1.26 -5.05 116.55 114.51 1dgn n ASP 48 Ca -0.01 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.98 1dgn n ASP 48 Cb 0.04 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.59 1dgn n ASP 48 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1dgn n THR 49 N 0.00 0.00 -0.32 5.18 -1.04 -1.26 -4.32 114.28 112.52 1dgn n THR 49 Ca 0.00 -0.21 0.10 0.00 -2.04 0.00 0.00 64.05 61.90 1dgn n THR 49 Cb 0.00 -0.71 0.22 0.00 -1.82 0.00 0.00 70.33 68.02 1dgn n THR 49 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1dgn h VAL 50 N -1.83 0.13 -1.14 12.58 2.07 -1.98 0.49 116.25 126.57 1dgn h VAL 50 Ca -0.47 -0.01 0.38 0.00 0.82 0.00 0.00 66.70 67.41 1dgn h VAL 50 Cb 1.30 0.08 -0.14 0.00 -1.52 0.00 0.00 31.29 31.02 1dgn h VAL 50 CO 0.37 0.01 0.69 0.24 0.02 0.00 0.00 177.57 178.90 1dgn h MET 51 N 0.04 0.18 0.10 1.57 2.86 -1.88 0.33 114.93 118.13 1dgn h MET 51 Ca 0.51 -0.01 -0.21 0.00 -2.06 0.00 0.00 59.70 57.94 1dgn h MET 51 Cb 0.96 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1dgn h MET 51 CO -0.85 0.12 -1.01 -0.44 1.06 0.00 0.00 176.91 175.78 1dgn h ASP 52 N 0.19 0.33 -0.06 1.22 5.19 -0.31 -2.87 116.42 120.10 1dgn h ASP 52 Ca 0.77 -0.87 0.02 0.00 -0.62 0.00 0.00 57.03 56.32 1dgn h ASP 52 Cb 2.11 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 41.51 1dgn h ASP 52 CO -0.52 1.45 0.04 0.11 -3.12 0.00 0.00 179.24 177.21 1dgn h LYS 53 N -0.48 0.00 0.02 3.56 1.57 -0.36 -2.83 116.57 118.06 1dgn h LYS 53 Ca -0.21 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 1dgn h LYS 53 Cb 1.58 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.89 1dgn h LYS 53 CO 0.06 0.00 -0.29 0.00 -0.57 0.00 0.00 179.45 178.65 1dgn h ALA 54 N 1.97 0.02 -0.92 3.86 0.00 -0.57 -2.92 119.26 120.71 1dgn h ALA 54 Ca 0.03 -0.62 0.23 0.00 0.00 0.00 0.00 54.91 54.54 1dgn h ALA 54 Cb 0.12 0.11 -0.17 0.00 0.00 0.00 0.00 17.79 17.85 1dgn h ALA 54 CO -0.00 0.15 -0.03 -0.09 0.00 0.00 0.00 179.25 179.28 1dgn h ARG 55 N -0.89 0.04 -0.01 0.00 9.65 -1.26 0.30 114.38 122.20 1dgn h ARG 55 Ca -0.07 -0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.74 1dgn h ARG 55 Cb 1.14 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.72 1dgn h ARG 55 CO -0.00 0.02 -0.28 -0.39 2.80 0.00 0.00 179.97 182.12 1dgn h VAL 56 N 0.04 1.52 -0.08 0.20 -1.51 -1.67 -2.84 116.25 111.90 1dgn h VAL 56 Ca 0.52 -1.91 0.04 0.00 -1.23 0.00 0.00 66.70 64.11 1dgn h VAL 56 Cb 0.97 2.69 -0.06 0.00 -2.13 0.00 0.00 31.29 32.76 1dgn h VAL 56 CO -0.86 0.53 -0.44 0.25 -1.23 0.00 0.00 177.57 175.81 1dgn h LEU 57 N -0.43 -1.38 -1.61 4.19 5.85 -0.94 0.52 115.31 121.51 1dgn h LEU 57 Ca -0.03 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1dgn h LEU 57 Cb 1.01 0.55 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 1dgn h LEU 57 CO 0.06 -0.45 0.12 -0.29 -0.34 0.00 0.00 178.44 177.53 1dgn h ILE 58 N -0.54 1.10 0.06 4.05 2.10 -1.14 -2.87 117.51 120.28 1dgn h ILE 58 Ca 0.06 -0.31 -0.00 0.00 1.08 0.00 0.00 64.86 65.68 1dgn h ILE 58 Cb 0.65 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 37.16 1dgn h ILE 58 CO -0.38 0.12 -0.03 -0.78 -1.08 0.00 0.00 178.15 176.00 1dgn h ASP 59 N 0.37 -0.07 -0.92 2.19 3.58 -0.93 -3.04 116.42 117.59 1dgn h ASP 59 Ca 0.10 -0.23 0.13 0.00 0.42 0.00 0.00 57.03 57.45 1dgn h ASP 59 Cb 0.07 0.02 -0.07 0.00 1.72 0.00 0.00 39.33 41.06 1dgn h ASP 59 CO -0.01 0.19 0.59 -0.07 -2.88 0.00 0.00 179.24 177.06 1dgn h LEU 60 N -0.34 0.77 0.32 2.28 3.38 -0.74 -1.46 115.31 119.53 1dgn h LEU 60 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1dgn h LEU 60 Cb 0.29 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1dgn h LEU 60 CO 0.01 0.41 -0.21 0.58 0.09 0.00 0.00 178.44 179.32 1dgn h VAL 61 N 0.82 0.00 0.00 1.22 2.07 -1.41 -2.27 116.25 116.68 1dgn h VAL 61 Ca 0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.98 1dgn h VAL 61 Cb 0.59 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1dgn h VAL 61 CO -0.22 0.00 0.12 0.74 0.02 0.00 0.00 177.57 178.23 1dgn h THR 62 N -0.51 0.00 0.00 2.57 2.02 -1.44 -0.30 112.91 115.26 1dgn h THR 62 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1dgn h THR 62 Cb 0.41 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1dgn h THR 62 CO 0.04 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.54 1dgn n GLY 63 N -1.14 -0.47 2.68 2.16 0.00 -0.56 -3.40 105.19 104.45 1dgn n GLY 63 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 1dgn n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dgn n LYS 64 N -0.40 1.44 -0.75 1.61 4.76 -0.12 -5.04 118.16 119.66 1dgn n LYS 64 Ca 0.00 -3.39 0.09 0.00 -2.87 0.00 0.00 58.31 52.14 1dgn n LYS 64 Cb 0.04 -1.40 -0.05 0.00 -1.84 0.00 0.00 35.03 31.79 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 -0.22 -2.83 0.00 0.72 0.00 -1.22 -4.31 105.19 97.33 1dgn n GLY 65 Ca 0.11 -1.25 0.11 0.00 0.00 0.00 0.00 46.02 44.98 1dgn n GLY 65 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dgn n PRO 66 N -3.28 0.10 0.30 1.61 -0.04 -1.26 -3.21 135.00 129.23 1dgn n PRO 66 Ca -0.04 0.10 0.16 0.00 -0.04 0.00 0.00 63.50 63.68 1dgn n PRO 66 Cb 0.36 -1.50 0.95 0.00 -0.04 0.00 0.00 33.50 33.27 1dgn n PRO 66 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1dgn h LYS 67 N 0.00 0.00 0.13 0.54 3.64 -1.96 -1.42 116.57 117.50 1dgn h LYS 67 Ca 0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 1dgn h LYS 67 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1dgn h LYS 67 CO 0.00 0.01 -1.31 1.03 -2.27 0.00 0.00 179.45 176.91 1dgn h SER 68 N 0.00 0.44 -0.73 4.20 0.87 -1.74 -3.34 113.55 113.26 1dgn h SER 68 Ca -0.00 -0.49 0.16 0.00 -1.23 0.00 0.00 61.79 60.23 1dgn h SER 68 Cb 0.03 -0.14 -0.11 0.00 -0.44 0.00 0.00 62.40 61.74 1dgn h SER 68 CO 0.00 1.39 0.16 0.00 -0.53 0.00 0.00 176.83 177.85 1dgn h LYS 71 N -0.85 0.00 0.26 0.00 1.57 -1.59 -2.42 116.57 113.53 1dgn h LYS 71 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1dgn h LYS 71 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1dgn h LYS 71 CO -0.15 0.08 -0.12 0.35 -0.57 0.00 0.00 179.45 179.03 1dgn h PHE 72 N 0.00 -0.32 -0.35 -1.35 3.04 0.03 -1.53 116.94 116.46 1dgn h PHE 72 Ca -0.00 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1dgn h PHE 72 Cb 0.14 0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 1dgn h PHE 72 CO 0.00 -0.01 0.21 0.82 -2.02 0.00 0.00 178.31 177.31 1dgn h ILE 73 N -0.63 1.10 0.49 1.41 2.04 -0.74 -1.97 117.51 119.21 1dgn h ILE 73 Ca -0.04 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1dgn h ILE 73 Cb 0.45 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1dgn h ILE 73 CO 0.06 0.10 -0.24 0.11 0.00 0.00 0.00 178.15 178.19 1dgn h LYS 74 N 0.48 -0.63 -0.66 2.37 1.57 -1.35 -2.21 116.57 116.13 1dgn h LYS 74 Ca 0.13 0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.12 1dgn h LYS 74 Cb -0.02 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1dgn h LYS 74 CO -0.02 -0.36 0.46 0.45 -0.57 0.00 0.00 179.45 179.41 1dgn h HIS 75 N -1.09 0.18 -0.07 -1.35 3.86 -1.18 0.90 115.15 116.39 1dgn h HIS 75 Ca -0.07 0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 58.98 1dgn h HIS 75 Cb 0.57 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 1dgn h HIS 75 CO 0.01 0.06 -0.67 1.25 0.86 0.00 0.00 177.93 179.45 1dgn h LEU 76 N 0.15 0.36 -0.37 2.43 5.85 -1.32 -2.79 115.31 119.61 1dgn h LEU 76 Ca 0.32 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1dgn h LEU 76 Cb 1.05 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1dgn h LEU 76 CO -0.05 0.93 0.23 0.00 -0.34 0.00 0.00 178.44 179.21 1dgn h GLU 78 N 0.47 0.00 0.11 0.00 4.11 -1.57 -3.24 114.58 114.45 1dgn h GLU 78 Ca 0.14 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.29 1dgn h GLU 78 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1dgn h GLU 78 CO -0.05 0.32 -1.41 0.93 0.07 0.00 0.00 179.01 178.86 1dgn h GLU 79 N 0.00 0.23 -2.00 1.06 4.39 -1.16 -3.45 114.58 113.64 1dgn h GLU 79 Ca -0.00 -0.39 -0.20 0.00 0.34 0.00 0.00 59.36 59.11 1dgn h GLU 79 Cb 1.03 0.14 -0.31 0.00 -0.10 0.00 0.00 28.75 29.51 1dgn h GLU 79 CO 0.04 1.11 -0.52 0.34 -1.16 0.00 0.00 179.01 178.82 1dgn s ASP 80 N -6.97 0.58 0.10 1.42 -1.08 0.96 -4.94 116.67 106.74 1dgn s ASP 80 Ca -0.07 -0.00 0.08 0.00 -0.52 0.00 0.00 52.55 52.05 1dgn s ASP 80 Cb 0.07 0.94 -0.20 0.00 -1.46 0.00 0.00 42.92 42.27 1dgn s ASP 80 CO 0.86 -0.32 1.19 1.55 0.52 0.00 0.00 175.17 178.97 1dgn h PRO 81 N 8.21 0.00 0.71 4.34 0.13 -1.79 -2.67 132.00 140.93 1dgn h PRO 81 Ca -0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.92 1dgn h PRO 81 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1dgn h PRO 81 CO 0.28 0.89 -0.37 0.37 -0.23 0.00 0.00 178.00 178.94 1dgn h GLN 82 N 0.00 -0.95 0.21 0.86 4.15 -1.95 -0.12 115.11 117.31 1dgn h GLN 82 Ca -0.05 0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1dgn h GLN 82 Cb 1.79 0.22 0.00 0.00 0.21 0.00 0.00 27.48 29.69 1dgn h GLN 82 CO 0.12 -0.63 -0.10 1.25 -1.93 0.00 0.00 178.83 177.53 1dgn h LEU 83 N -0.99 -0.24 -1.50 -2.39 5.85 -1.95 -2.08 115.31 112.01 1dgn h LEU 83 Ca -0.10 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1dgn h LEU 83 Cb 0.77 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1dgn h LEU 83 CO 0.14 -0.03 0.41 0.00 -0.34 0.00 0.00 178.44 178.63 1dgn h ALA 84 N 0.29 1.39 -0.82 1.25 0.00 -1.51 0.18 119.26 120.05 1dgn h ALA 84 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.99 1dgn h ALA 84 Cb 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1dgn h ALA 84 CO 0.05 -0.39 0.53 1.03 0.00 0.00 0.00 179.25 180.47 1dgn h SER 85 N 0.00 0.63 0.40 0.00 0.87 -0.26 2.18 113.55 117.37 1dgn h SER 85 Ca 0.00 0.02 -0.32 0.00 -1.23 0.00 0.00 61.79 60.27 1dgn h SER 85 Cb 0.83 -0.11 0.02 0.00 -0.44 0.00 0.00 62.40 62.70 1dgn h SER 85 CO 0.00 0.36 -1.43 0.11 -0.53 0.00 0.00 176.83 175.33 1dgn h LYS 86 N 0.69 0.41 -0.38 2.24 1.57 -0.80 -3.22 116.57 117.09 1dgn h LYS 86 Ca 0.39 -0.71 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1dgn h LYS 86 Cb 0.56 0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1dgn h LYS 86 CO -0.16 1.33 0.00 -1.33 -0.57 0.00 0.00 179.45 178.72 1dgn n MET 87 N -3.62 1.85 -1.59 3.15 2.81 -0.32 -4.23 117.12 115.17 1dgn n MET 87 Ca -0.15 -1.17 -0.37 0.00 -1.81 0.00 0.00 57.70 54.21 1dgn n MET 87 Cb 1.07 -1.32 0.06 0.00 -0.71 0.00 0.00 33.22 32.33 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 0.92 5.68 0.34 3.03 0.00 0.72 -4.79 105.19 111.09 1dgn n GLY 88 Ca 0.11 -2.37 0.27 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.72 0.08 0.00 0.99 7.99 -1.26 -4.99 117.00 119.09 1dgn n LEU 89 Ca 0.58 0.76 0.04 0.00 -0.01 0.00 0.00 56.01 57.38 1dgn n LEU 89 Cb 0.47 -0.38 0.21 0.00 -0.11 0.00 0.00 43.42 43.61 1dgn n LEU 89 CO 0.66 -0.81 0.44 1.57 -1.51 0.00 0.00 177.39 177.74