#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 -1.19 -0.40 0.00 -4.77 -1.26 -5.04 116.67 104.01 1dgn s ASP 3 Ca 0.00 -0.73 0.10 0.00 -3.30 0.00 0.00 52.55 48.62 1dgn s ASP 3 Cb 0.00 1.52 0.36 0.00 -1.09 0.00 0.00 42.92 43.72 1dgn s ASP 3 CO 0.00 -0.12 1.05 0.00 0.70 0.00 0.00 175.17 176.80 1dgn n GLN 4 N 4.00 1.06 0.25 2.11 6.02 -1.26 -4.97 117.38 124.59 1dgn n GLN 4 Ca 0.11 -2.48 -0.12 0.00 -0.01 0.00 0.00 57.00 54.49 1dgn n GLN 4 Cb 0.59 -1.02 -0.06 0.00 1.02 0.00 0.00 30.24 30.76 1dgn n GLN 4 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1dgn h LEU 5 N 2.78 -0.84 -0.98 1.08 6.46 -1.96 -2.23 115.31 119.62 1dgn h LEU 5 Ca -0.09 0.05 0.31 0.00 -0.12 0.00 0.00 57.88 58.04 1dgn h LEU 5 Cb 1.12 0.26 -0.15 0.00 -0.73 0.00 0.00 40.66 41.16 1dgn h LEU 5 CO 0.24 -0.47 0.47 -0.07 -0.62 0.00 0.00 178.44 177.99 1dgn h LEU 6 N -0.74 0.35 0.28 2.25 -0.00 -1.95 0.30 115.31 115.80 1dgn h LEU 6 Ca -0.06 0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 58.01 1dgn h LEU 6 Cb 0.61 0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 41.46 1dgn h LEU 6 CO 0.03 -0.18 -0.16 -0.09 -0.00 0.00 0.00 178.44 178.04 1dgn h ARG 7 N 0.26 -0.40 -0.13 1.13 2.43 -1.88 2.17 114.38 117.96 1dgn h ARG 7 Ca 0.70 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.90 1dgn h ARG 7 Cb 1.59 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 1dgn h ARG 7 CO -0.65 -0.26 0.00 1.63 -1.51 0.00 0.00 179.97 179.18 1dgn n LYS 8 N -3.26 0.55 0.00 0.20 5.02 -0.72 -1.58 118.16 118.37 1dgn n LYS 8 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1dgn n LYS 8 Cb 0.17 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 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 -0.33 0.16 0.04 1.97 4.76 0.02 -4.83 118.16 119.95 1dgn n LYS 9 Ca 0.00 -0.41 0.00 0.00 -2.87 0.00 0.00 58.31 55.03 1dgn n LYS 9 Cb 0.03 -0.55 0.31 0.00 -1.84 0.00 0.00 35.03 32.98 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 0.43 0.00 1.97 2.43 0.46 -2.00 114.38 117.67 1dgn h ARG 10 Ca 0.00 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 1dgn h ARG 10 Cb 0.77 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1dgn h ARG 10 CO 0.00 0.52 -0.39 0.07 -1.51 0.00 0.00 179.97 178.66 1dgn h ARG 11 N 0.41 0.00 0.00 0.20 0.11 -1.82 -2.96 114.38 110.32 1dgn h ARG 11 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 1dgn h ARG 11 Cb 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 1dgn h ARG 11 CO 0.02 0.39 0.00 -0.89 0.10 0.00 0.00 179.97 179.59 1dgn n ILE 12 N -3.49 0.00 -0.31 0.08 5.41 -0.82 -2.79 119.36 117.44 1dgn n ILE 12 Ca 0.00 0.37 0.09 0.00 1.00 0.00 0.00 62.75 64.22 1dgn n ILE 12 Cb 0.54 -1.04 0.21 0.00 -0.71 0.00 0.00 39.64 38.64 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 -0.16 -0.13 1.39 3.57 -1.55 0.68 116.94 120.74 1dgn h PHE 13 Ca 0.00 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1dgn h PHE 13 Cb 0.00 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1dgn h PHE 13 CO 0.01 -0.36 0.08 0.97 -2.23 0.00 0.00 178.31 176.78 1dgn h ILE 14 N 0.04 1.05 -0.72 1.41 2.10 -1.70 0.26 117.51 119.95 1dgn h ILE 14 Ca 0.50 -0.11 -0.42 0.00 1.08 0.00 0.00 64.86 65.91 1dgn h ILE 14 Cb 0.94 0.89 -0.14 0.00 -1.09 0.00 0.00 36.82 37.42 1dgn h ILE 14 CO -0.85 0.05 0.32 1.41 -1.08 0.00 0.00 178.15 178.00 1dgn n HIS 15 N -4.98 1.17 0.03 2.19 8.25 0.22 -4.07 115.22 118.02 1dgn n HIS 15 Ca -0.05 -1.87 0.00 0.00 -0.26 0.00 0.00 57.72 55.54 1dgn n HIS 15 Cb 0.04 -1.49 0.00 0.00 1.12 0.00 0.00 29.99 29.66 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 1.47 -0.52 -4.69 0.41 7.64 -1.14 -4.91 113.62 111.89 1dgn n SER 16 Ca 0.48 0.17 -0.64 0.00 1.01 0.00 0.00 58.87 59.89 1dgn n SER 16 Cb 0.64 0.73 -0.09 0.00 -1.01 0.00 0.00 64.21 64.48 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 -2.48 0.04 -2.92 0.44 3.14 0.07 -4.89 118.33 111.72 1dgn n VAL 17 Ca 0.00 -0.01 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 1dgn n VAL 17 Cb 0.00 -0.51 -0.06 0.00 -1.06 0.00 0.00 33.84 32.20 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 2.37 2.73 0.62 7.55 0.00 -1.26 -4.90 107.32 114.42 1dgn s GLY 18 Ca 1.00 0.36 0.23 0.00 0.00 0.00 0.00 44.72 46.32 1dgn s GLY 18 CO 0.73 0.77 1.41 0.00 0.00 0.00 0.00 173.10 176.01 1dgn h ALA 19 N 3.33 2.55 0.13 3.20 0.00 -1.98 -0.33 119.26 126.15 1dgn h ALA 19 Ca -0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1dgn h ALA 19 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1dgn h ALA 19 CO 0.65 -1.34 -0.06 0.78 0.00 0.00 0.00 179.25 179.28 1dgn h GLY 20 N 0.00 -0.18 -0.68 0.00 0.00 -2.00 -3.33 103.07 96.89 1dgn h GLY 20 Ca 0.32 0.07 0.36 0.00 0.00 0.00 0.00 47.33 48.08 1dgn h GLY 20 CO -0.00 -0.06 0.70 -0.84 0.00 0.00 0.00 176.54 176.33 1dgn h THR 21 N -1.04 0.27 0.10 4.70 2.02 -1.41 -0.75 112.91 116.80 1dgn h THR 21 Ca -0.02 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.10 1dgn h THR 21 Cb 0.14 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 66.51 1dgn h THR 21 CO 0.03 0.04 -0.49 0.40 0.37 0.00 0.00 175.52 175.87 1dgn h ILE 22 N 0.24 0.05 -0.96 3.11 2.04 -1.61 0.82 117.51 121.21 1dgn h ILE 22 Ca 0.74 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.75 1dgn h ILE 22 Cb 2.00 0.05 -0.09 0.00 -0.74 0.00 0.00 36.82 38.04 1dgn h ILE 22 CO -0.47 0.00 0.57 -1.13 0.00 0.00 0.00 178.15 177.12 1dgn h ASN 23 N -0.71 0.78 1.13 1.72 -0.73 -1.26 0.93 115.58 117.44 1dgn h ASN 23 Ca 0.01 0.07 -0.10 0.00 1.87 0.00 0.00 56.30 58.15 1dgn h ASN 23 Cb 0.73 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.24 1dgn h ASN 23 CO -0.28 0.36 -0.47 0.00 -0.37 0.00 0.00 177.43 176.66 1dgn h ALA 24 N 1.57 0.81 0.13 1.57 0.00 -1.19 -2.85 119.26 119.30 1dgn h ALA 24 Ca 0.51 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1dgn h ALA 24 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1dgn h ALA 24 CO -0.32 0.59 -0.06 1.25 0.00 0.00 0.00 179.25 180.71 1dgn h LEU 25 N 0.00 -0.14 -2.03 0.00 7.12 0.27 -3.00 115.31 117.54 1dgn h LEU 25 Ca -0.00 -0.14 0.05 0.00 0.13 0.00 0.00 57.88 57.91 1dgn h LEU 25 Cb 1.17 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 41.33 1dgn h LEU 25 CO 0.06 0.39 0.12 0.17 -0.13 0.00 0.00 178.44 179.05 1dgn h LEU 26 N -1.02 0.00 -0.39 2.25 8.10 -1.05 -1.12 115.31 122.07 1dgn h LEU 26 Ca -0.02 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.93 1dgn h LEU 26 Cb 0.27 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.48 1dgn h LEU 26 CO 0.03 0.00 0.10 -0.78 -4.11 0.00 0.00 178.44 173.67 1dgn h ASP 27 N 0.00 0.60 -0.73 0.17 1.82 -1.59 -2.92 116.42 113.76 1dgn h ASP 27 Ca 0.07 -0.23 -0.06 0.00 -0.39 0.00 0.00 57.03 56.43 1dgn h ASP 27 Cb 0.31 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.13 1dgn h ASP 27 CO -0.00 0.67 0.23 0.00 -1.61 0.00 0.00 179.24 178.53 1dgn h LEU 29 N 1.08 -0.59 -0.73 0.00 3.38 -1.23 -0.22 115.31 116.99 1dgn h LEU 29 Ca 0.24 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.44 1dgn h LEU 29 Cb 0.30 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 1dgn h LEU 29 CO -0.01 -0.20 0.39 -0.07 0.09 0.00 0.00 178.44 178.64 1dgn h LEU 30 N -0.08 0.55 -0.98 1.67 3.38 -1.41 -0.60 115.31 117.83 1dgn h LEU 30 Ca 0.21 0.05 0.24 0.00 0.09 0.00 0.00 57.88 58.47 1dgn h LEU 30 Cb 0.40 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 40.97 1dgn h LEU 30 CO -0.48 0.32 0.55 -0.08 0.09 0.00 0.00 178.44 178.84 1dgn h GLU 31 N 0.68 0.51 0.00 1.13 4.22 -0.94 1.05 114.58 121.22 1dgn h GLU 31 Ca 0.35 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.76 1dgn h GLU 31 Cb 0.32 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1dgn h GLU 31 CO -0.24 0.34 0.00 -0.44 -2.18 0.00 0.00 179.01 176.49 1dgn h ASP 32 N 0.53 0.00 -1.95 1.04 3.32 -0.86 -3.47 116.42 115.03 1dgn h ASP 32 Ca 0.63 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.41 1dgn h ASP 32 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1dgn h ASP 32 CO -0.49 0.00 -0.34 -0.62 -1.72 0.00 0.00 179.24 176.06 1dgn n GLU 33 N -2.85 -1.14 0.04 3.56 1.02 0.36 -4.93 120.64 116.70 1dgn n GLU 33 Ca 0.04 0.65 -0.19 0.00 -0.02 0.00 0.00 57.16 57.64 1dgn n GLU 33 Cb 0.49 -4.89 -0.13 0.00 -0.02 0.00 0.00 31.44 26.90 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 -0.03 1.42 -3.55 2.62 3.04 -1.78 -3.46 116.25 114.51 1dgn h VAL 34 Ca -0.32 -2.30 -0.50 0.00 -1.01 0.00 0.00 66.70 62.57 1dgn h VAL 34 Cb 1.24 2.80 0.00 0.00 -2.01 0.00 0.00 31.29 33.32 1dgn h VAL 34 CO 0.37 0.67 0.05 0.27 -1.01 0.00 0.00 177.57 177.92 1dgn s ILE 35 N -2.92 4.86 0.43 3.17 -4.36 -1.26 -4.96 121.20 116.15 1dgn s ILE 35 Ca -0.12 0.43 0.01 0.00 -0.26 0.00 0.00 60.65 60.71 1dgn s ILE 35 Cb 0.03 -3.74 -0.00 0.00 1.25 0.00 0.00 42.46 39.99 1dgn s ILE 35 CO 0.85 -0.49 0.64 -0.55 0.24 0.00 0.00 174.94 175.62 1dgn s SER 36 N -3.24 5.86 0.62 4.36 0.15 -1.26 -4.89 113.70 115.29 1dgn s SER 36 Ca 0.49 0.21 0.34 0.00 0.70 0.00 0.00 55.95 57.69 1dgn s SER 36 Cb -0.10 -1.48 1.99 0.00 -1.71 0.00 0.00 66.02 64.71 1dgn s SER 36 CO 0.32 -0.66 2.27 -0.61 1.20 0.00 0.00 173.24 175.77 1dgn h GLN 37 N 0.48 0.00 -0.10 5.44 -0.00 -1.98 0.15 115.11 119.10 1dgn h GLN 37 Ca -0.46 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 57.97 1dgn h GLN 37 Cb 1.25 0.00 0.01 0.00 0.00 0.00 0.00 27.48 28.75 1dgn h GLN 37 CO 0.57 0.00 -0.78 0.93 0.00 0.00 0.00 178.83 179.55 1dgn h GLU 38 N 0.00 0.70 -0.14 1.69 5.08 -2.00 -2.70 114.58 117.21 1dgn h GLU 38 Ca 0.01 -0.62 -0.20 0.00 -1.00 0.00 0.00 59.36 57.54 1dgn h GLU 38 Cb 0.06 0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1dgn h GLU 38 CO -0.00 1.23 -0.70 -0.44 -1.00 0.00 0.00 179.01 178.10 1dgn h ASP 39 N 0.39 0.86 -0.32 1.42 5.19 -1.50 -2.85 116.42 119.62 1dgn h ASP 39 Ca -0.07 -0.63 0.09 0.00 -0.62 0.00 0.00 57.03 55.80 1dgn h ASP 39 Cb 1.42 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 1dgn h ASP 39 CO 0.16 1.36 0.23 -0.03 -3.12 0.00 0.00 179.24 177.84 1dgn h MET 40 N 0.43 0.02 -0.23 3.56 4.05 -0.83 -0.63 114.93 121.30 1dgn h MET 40 Ca -0.05 -0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.18 1dgn h MET 40 Cb 1.34 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.14 1dgn h MET 40 CO 0.15 0.01 -0.60 -0.91 0.23 0.00 0.00 176.91 175.79 1dgn h ASN 41 N 0.02 0.93 -0.73 1.39 -0.26 -1.26 -1.56 115.58 114.12 1dgn h ASN 41 Ca 0.15 -0.57 0.16 0.00 -0.56 0.00 0.00 56.30 55.48 1dgn h ASN 41 Cb 0.59 -0.27 -0.11 0.00 -1.06 0.00 0.00 38.32 37.47 1dgn h ASN 41 CO -0.01 1.33 0.19 0.11 -1.06 0.00 0.00 177.43 177.99 1dgn h LYS 42 N 0.58 0.28 0.02 0.81 1.79 -0.90 0.90 116.57 120.05 1dgn h LYS 42 Ca -0.01 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 1dgn h LYS 42 Cb 1.22 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.81 1dgn h LYS 42 CO 0.13 0.18 -0.38 0.28 -1.08 0.00 0.00 179.45 178.58 1dgn h VAL 43 N 0.28 1.55 0.00 0.50 2.07 -1.53 -3.24 116.25 115.88 1dgn h VAL 43 Ca 0.41 -2.12 -0.00 0.00 0.82 0.00 0.00 66.70 65.81 1dgn h VAL 43 Cb 0.69 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1dgn h VAL 43 CO -0.49 0.59 -0.02 -0.09 0.02 0.00 0.00 177.57 177.57 1dgn h ARG 44 N -0.47 0.00 0.00 1.57 1.12 -0.70 -1.14 114.38 114.76 1dgn h ARG 44 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 1dgn h ARG 44 Cb 1.17 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.13 1dgn h ARG 44 CO 0.07 0.02 0.00 -0.25 -3.11 0.00 0.00 179.97 176.70 1dgn n ASP 45 N -3.27 0.00 -2.84 -3.80 8.00 0.31 -4.89 116.55 110.06 1dgn n ASP 45 Ca -0.02 0.06 -0.21 0.00 0.71 0.00 0.00 54.79 55.33 1dgn n ASP 45 Cb 0.14 -0.18 0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1dgn n ASP 45 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1dgn n GLU 46 N -1.18 -1.07 -0.04 -1.24 0.28 -0.43 -4.87 120.64 112.08 1dgn n GLU 46 Ca 0.03 0.94 -0.12 0.00 -0.16 0.00 0.00 57.16 57.85 1dgn n GLU 46 Cb 0.04 -1.29 -0.07 0.00 1.43 0.00 0.00 31.44 31.55 1dgn n GLU 46 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 1dgn h ASN 47 N 2.10 0.24 0.00 -1.84 7.08 -1.84 -3.49 115.58 117.83 1dgn h ASN 47 Ca -0.30 -0.34 0.00 0.00 -3.08 0.00 0.00 56.30 52.57 1dgn h ASN 47 Cb 1.00 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 37.17 1dgn h ASN 47 CO 0.12 0.53 0.00 -0.67 -2.08 0.00 0.00 177.43 175.33 1dgn n ASP 48 N -4.75 1.85 -3.13 6.14 2.03 -1.26 -5.05 116.55 112.38 1dgn n ASP 48 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1dgn n ASP 48 Cb 0.23 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 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 -0.14 5.18 -2.24 -1.26 -4.53 114.28 111.30 1dgn n THR 49 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1dgn n THR 49 Cb 0.00 -0.42 0.08 0.00 -2.10 0.00 0.00 70.33 67.89 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 -1.45 1.26 -0.84 2.28 2.07 -1.97 -1.36 116.25 116.24 1dgn h VAL 50 Ca 0.00 -1.21 0.15 0.00 0.82 0.00 0.00 66.70 66.47 1dgn h VAL 50 Cb 0.00 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1dgn h VAL 50 CO 0.00 0.42 0.55 0.24 0.02 0.00 0.00 177.57 178.80 1dgn h MET 51 N 0.80 0.52 0.12 1.57 2.86 -1.91 0.40 114.93 119.30 1dgn h MET 51 Ca 0.13 -0.03 -0.35 0.00 -2.06 0.00 0.00 59.70 57.39 1dgn h MET 51 Cb 0.62 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1dgn h MET 51 CO 0.04 0.35 -1.89 -0.44 1.06 0.00 0.00 176.91 176.03 1dgn h ASP 52 N 0.54 0.40 0.65 1.22 5.19 -1.83 -3.02 116.42 119.57 1dgn h ASP 52 Ca 0.42 -0.81 -0.08 0.00 -0.62 0.00 0.00 57.03 55.94 1dgn h ASP 52 Cb 0.84 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 1dgn h ASP 52 CO -0.17 1.72 -0.40 0.11 -3.12 0.00 0.00 179.24 177.38 1dgn h LYS 53 N 0.07 0.00 0.01 3.56 1.57 -0.79 -3.06 116.57 117.93 1dgn h LYS 53 Ca -0.38 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 1dgn h LYS 53 Cb 2.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.35 1dgn h LYS 53 CO 0.11 0.40 -0.20 0.00 -0.57 0.00 0.00 179.45 179.19 1dgn h ALA 54 N 1.60 0.03 -0.88 3.86 0.00 -0.36 -2.63 119.26 120.89 1dgn h ALA 54 Ca -0.00 -0.60 0.23 0.00 0.00 0.00 0.00 54.91 54.54 1dgn h ALA 54 Cb 0.83 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.58 1dgn h ALA 54 CO 0.05 0.11 0.29 -0.09 0.00 0.00 0.00 179.25 179.61 1dgn h ARG 55 N -0.97 0.27 0.01 0.00 9.65 -1.55 -0.27 114.38 121.52 1dgn h ARG 55 Ca -0.05 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1dgn h ARG 55 Cb 1.07 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 1dgn h ARG 55 CO -0.02 0.18 -0.00 -0.39 2.80 0.00 0.00 179.97 182.53 1dgn h VAL 56 N 0.27 1.57 -0.40 0.20 -1.51 -1.66 -2.76 116.25 111.96 1dgn h VAL 56 Ca 0.55 -1.80 0.08 0.00 -1.23 0.00 0.00 66.70 64.30 1dgn h VAL 56 Cb 1.10 2.77 -0.09 0.00 -2.13 0.00 0.00 31.29 32.94 1dgn h VAL 56 CO -0.60 0.46 -0.37 0.25 -1.23 0.00 0.00 177.57 176.07 1dgn h LEU 57 N -0.79 -1.24 -1.29 4.19 5.85 -0.93 0.18 115.31 121.28 1dgn h LEU 57 Ca -0.00 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1dgn h LEU 57 Cb 0.76 0.56 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1dgn h LEU 57 CO 0.00 -0.34 0.05 -0.29 -0.34 0.00 0.00 178.44 177.52 1dgn h ILE 58 N -0.29 1.18 0.04 4.05 2.10 -1.21 -2.97 117.51 120.42 1dgn h ILE 58 Ca 0.16 -0.68 -0.00 0.00 1.08 0.00 0.00 64.86 65.42 1dgn h ILE 58 Cb 0.56 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 37.16 1dgn h ILE 58 CO -0.56 0.24 -0.02 -0.78 -1.08 0.00 0.00 178.15 175.95 1dgn h ASP 59 N 0.51 -0.05 -0.35 2.19 3.58 -0.68 -3.10 116.42 118.52 1dgn h ASP 59 Ca 0.12 -0.23 0.07 0.00 0.42 0.00 0.00 57.03 57.41 1dgn h ASP 59 Cb 0.26 0.01 -0.08 0.00 1.72 0.00 0.00 39.33 41.24 1dgn h ASP 59 CO 0.00 0.21 -0.16 -0.07 -2.88 0.00 0.00 179.24 176.34 1dgn h LEU 60 N -0.30 -0.55 -0.36 2.28 3.38 -0.61 -2.53 115.31 116.61 1dgn h LEU 60 Ca -0.01 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1dgn h LEU 60 Cb 0.28 0.30 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 1dgn h LEU 60 CO 0.01 -0.20 -0.48 0.58 0.09 0.00 0.00 178.44 178.44 1dgn h VAL 61 N -0.10 0.07 0.00 1.22 2.07 -1.51 0.65 116.25 118.64 1dgn h VAL 61 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1dgn h VAL 61 Cb 0.37 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1dgn h VAL 61 CO -0.41 0.00 0.07 0.41 0.02 0.00 0.00 177.57 177.66 1dgn n THR 62 N -5.41 1.28 -0.06 2.57 -1.04 -0.99 -1.94 114.28 108.70 1dgn n THR 62 Ca -0.02 0.64 -0.12 0.00 -2.04 0.00 0.00 64.05 62.50 1dgn n THR 62 Cb 0.35 -1.64 -0.06 0.00 -1.82 0.00 0.00 70.33 67.16 1dgn n THR 62 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1dgn h GLY 63 N 0.00 0.39 -1.94 3.41 0.00 0.67 -2.97 103.07 102.62 1dgn h GLY 63 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1dgn h GLY 63 CO 0.00 0.32 0.00 0.28 0.00 0.00 0.00 176.54 177.14 1dgn n LYS 64 N -4.60 0.86 -0.22 4.80 4.01 -0.82 -4.95 118.16 117.24 1dgn n LYS 64 Ca -0.05 0.00 0.03 0.00 -0.51 0.00 0.00 58.31 57.77 1dgn n LYS 64 Cb 0.32 -1.09 -0.01 0.00 -0.51 0.00 0.00 35.03 33.74 1dgn n LYS 64 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1dgn n GLY 65 N 0.54 -1.49 0.00 0.72 0.00 -1.12 -4.23 105.19 99.61 1dgn n GLY 65 Ca 0.00 -1.47 0.11 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.73 0.29 0.26 1.61 -0.04 -1.26 -3.19 135.00 130.95 1dgn n PRO 66 Ca 0.00 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.64 1dgn n PRO 66 Cb 0.10 -1.50 0.68 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.17 0.54 3.64 -1.94 -2.37 116.57 116.62 1dgn h LYS 67 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 1dgn h LYS 67 Cb 0.22 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1dgn h LYS 67 CO 0.00 0.10 -1.37 1.03 -2.27 0.00 0.00 179.45 176.94 1dgn h SER 68 N 0.00 0.57 -1.24 4.20 0.87 -1.74 -3.31 113.55 112.89 1dgn h SER 68 Ca -0.00 -0.63 0.39 0.00 -1.23 0.00 0.00 61.79 60.32 1dgn h SER 68 Cb 0.22 -0.19 -0.12 0.00 -0.44 0.00 0.00 62.40 61.87 1dgn h SER 68 CO 0.01 1.50 0.80 0.00 -0.53 0.00 0.00 176.83 178.62 1dgn h LYS 71 N -0.59 0.10 0.81 0.00 1.57 -1.47 -2.22 116.57 114.76 1dgn h LYS 71 Ca -0.05 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1dgn h LYS 71 Cb 0.48 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.78 1dgn h LYS 71 CO 0.04 0.06 -0.39 0.35 -0.57 0.00 0.00 179.45 178.94 1dgn h PHE 72 N 0.10 -1.01 -0.74 -1.35 3.04 -0.86 0.15 116.94 116.28 1dgn h PHE 72 Ca 0.05 -0.02 0.12 0.00 3.98 0.00 0.00 57.97 62.10 1dgn h PHE 72 Cb 0.10 0.33 -0.05 0.00 2.56 0.00 0.00 35.95 38.89 1dgn h PHE 72 CO -0.00 -0.63 0.49 0.82 -2.02 0.00 0.00 178.31 176.98 1dgn h ILE 73 N -1.25 0.86 -0.05 1.41 2.04 -0.80 0.85 117.51 120.58 1dgn h ILE 73 Ca -0.11 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1dgn h ILE 73 Cb 0.83 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1dgn h ILE 73 CO 0.18 0.10 -0.13 0.11 0.00 0.00 0.00 178.15 178.41 1dgn h LYS 74 N 0.52 0.17 -0.55 2.37 1.57 -1.31 -2.74 116.57 116.60 1dgn h LYS 74 Ca 0.36 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1dgn h LYS 74 Cb 0.67 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1dgn h LYS 74 CO -0.12 0.73 0.21 0.45 -0.57 0.00 0.00 179.45 180.15 1dgn h HIS 75 N -0.36 0.85 -0.41 -1.35 3.86 -0.08 -2.65 115.15 115.01 1dgn h HIS 75 Ca -0.00 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1dgn h HIS 75 Cb 0.74 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 1dgn h HIS 75 CO 0.13 0.70 0.20 1.25 0.86 0.00 0.00 177.93 181.07 1dgn h LEU 76 N 0.76 0.50 0.32 2.43 5.85 -0.92 -2.11 115.31 122.14 1dgn h LEU 76 Ca 0.18 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1dgn h LEU 76 Cb 0.21 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1dgn h LEU 76 CO -0.01 0.42 -0.15 0.00 -0.34 0.00 0.00 178.44 178.36 1dgn h GLU 78 N -0.45 0.00 0.02 0.00 4.11 -1.43 -2.92 114.58 113.92 1dgn h GLU 78 Ca -0.04 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.09 1dgn h GLU 78 Cb 0.34 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1dgn h GLU 78 CO 0.07 0.00 -1.72 0.93 0.07 0.00 0.00 179.01 178.36 1dgn h GLU 79 N 0.00 0.04 -1.88 1.06 4.39 -0.94 -3.45 114.58 113.80 1dgn h GLU 79 Ca 0.00 -0.07 -0.23 0.00 0.34 0.00 0.00 59.36 59.40 1dgn h GLU 79 Cb 0.45 0.03 -0.30 0.00 -0.10 0.00 0.00 28.75 28.82 1dgn h GLU 79 CO 0.00 0.62 -0.56 0.34 -1.16 0.00 0.00 179.01 178.25 1dgn s ASP 80 N -6.26 0.80 0.31 1.42 -1.08 0.19 -4.92 116.67 107.13 1dgn s ASP 80 Ca -0.07 -0.43 0.24 0.00 -0.52 0.00 0.00 52.55 51.77 1dgn s ASP 80 Cb 0.08 0.90 0.40 0.00 -1.46 0.00 0.00 42.92 42.85 1dgn s ASP 80 CO 0.82 -0.36 1.53 1.55 0.52 0.00 0.00 175.17 179.23 1dgn h PRO 81 N 8.20 0.00 0.38 4.34 0.13 -1.77 -2.61 132.00 140.67 1dgn h PRO 81 Ca -0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 1dgn h PRO 81 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1dgn h PRO 81 CO 0.29 0.00 -0.18 0.37 -0.23 0.00 0.00 178.00 178.25 1dgn h GLN 82 N 0.00 -0.49 0.07 0.86 4.15 -1.95 -2.63 115.11 115.13 1dgn h GLN 82 Ca 0.00 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1dgn h GLN 82 Cb 0.91 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.71 1dgn h GLN 82 CO 0.00 -0.21 -0.04 1.25 -1.93 0.00 0.00 178.83 177.90 1dgn h LEU 83 N -1.04 -0.08 -0.70 -2.39 5.85 -1.96 -2.54 115.31 112.44 1dgn h LEU 83 Ca -0.05 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1dgn h LEU 83 Cb 0.50 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1dgn h LEU 83 CO 0.09 0.29 0.19 0.00 -0.34 0.00 0.00 178.44 178.67 1dgn n ALA 84 N -2.33 0.73 -0.13 1.25 0.00 -0.98 -0.98 120.51 118.07 1dgn n ALA 84 Ca -0.08 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.59 1dgn n ALA 84 Cb 0.21 -0.86 0.51 0.00 0.00 0.00 0.00 19.45 19.31 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 0.37 0.30 0.00 0.87 -1.05 2.18 113.55 116.22 1dgn h SER 85 Ca 0.00 0.02 -0.33 0.00 -1.23 0.00 0.00 61.79 60.24 1dgn h SER 85 Cb 0.39 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1dgn h SER 85 CO 0.00 0.21 -1.59 0.11 -0.53 0.00 0.00 176.83 175.02 1dgn h LYS 86 N 0.41 0.40 -0.63 2.24 1.57 -1.25 -3.29 116.57 116.02 1dgn h LYS 86 Ca 0.33 -0.69 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1dgn h LYS 86 Cb 0.71 0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1dgn h LYS 86 CO -0.10 1.31 0.00 -1.33 -0.57 0.00 0.00 179.45 178.76 1dgn n MET 87 N -3.60 2.88 -0.91 3.15 2.81 -0.30 -4.36 117.12 116.79 1dgn n MET 87 Ca -0.20 -1.82 -0.19 0.00 -1.81 0.00 0.00 57.70 53.69 1dgn n MET 87 Cb 1.08 -1.73 0.07 0.00 -0.71 0.00 0.00 33.22 31.92 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 0.71 4.18 0.37 3.03 0.00 0.72 -4.69 105.19 109.51 1dgn n GLY 88 Ca 0.16 -1.13 0.31 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.16 0.15 0.00 0.99 7.99 -1.26 -5.02 117.00 119.68 1dgn n LEU 89 Ca 0.38 1.04 0.00 0.00 -0.01 0.00 0.00 56.01 57.42 1dgn n LEU 89 Cb 0.82 -0.51 0.00 0.00 -0.11 0.00 0.00 43.42 43.62 1dgn n LEU 89 CO 0.44 -1.13 0.00 1.57 -1.51 0.00 0.00 177.39 176.76