#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 -1.40 -0.34 0.00 1.47 -1.26 -5.02 116.67 110.13 1dgn s ASP 3 Ca 0.00 -0.54 0.14 0.00 1.18 0.00 0.00 52.55 53.33 1dgn s ASP 3 Cb 0.00 1.80 0.43 0.00 -0.34 0.00 0.00 42.92 44.81 1dgn s ASP 3 CO 0.00 -0.17 1.40 0.00 0.68 0.00 0.00 175.17 177.08 1dgn n GLN 4 N 4.52 1.39 0.25 2.11 1.13 -1.26 -5.01 117.38 120.51 1dgn n GLN 4 Ca 0.09 -1.84 -0.10 0.00 -1.94 0.00 0.00 57.00 53.22 1dgn n GLN 4 Cb 0.57 -0.11 -0.05 0.00 0.11 0.00 0.00 30.24 30.77 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 1.58 -0.55 -0.71 1.08 6.46 -2.00 -3.06 115.31 118.10 1dgn h LEU 5 Ca -0.34 0.02 0.13 0.00 -0.12 0.00 0.00 57.88 57.56 1dgn h LEU 5 Cb 1.29 0.14 -0.13 0.00 -0.73 0.00 0.00 40.66 41.23 1dgn h LEU 5 CO -0.06 -0.39 -0.30 -0.07 -0.62 0.00 0.00 178.44 177.00 1dgn h LEU 6 N -0.64 -1.06 -0.81 2.25 -0.00 -1.95 0.17 115.31 113.28 1dgn h LEU 6 Ca -0.06 0.24 0.07 0.00 -0.00 0.00 0.00 57.88 58.13 1dgn h LEU 6 Cb 0.49 0.57 -0.10 0.00 -0.00 0.00 0.00 40.66 41.63 1dgn h LEU 6 CO 0.10 -0.29 -0.48 -1.14 -0.00 0.00 0.00 178.44 176.64 1dgn n ARG 7 N -5.46 -0.36 -0.11 1.13 0.00 -1.19 0.16 116.66 110.83 1dgn n ARG 7 Ca 0.07 1.31 -0.13 0.00 -0.00 0.00 0.00 57.85 59.10 1dgn n ARG 7 Cb 0.38 -1.93 -0.03 0.00 0.00 0.00 0.00 32.46 30.88 1dgn n ARG 7 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1dgn h LYS 8 N 0.00 0.91 -0.95 -0.14 1.57 -1.22 -2.87 116.57 113.87 1dgn h LYS 8 Ca 0.13 -0.49 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 1dgn h LYS 8 Cb 0.33 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1dgn h LYS 8 CO -0.76 1.14 0.03 1.63 -0.57 0.00 0.00 179.45 180.92 1dgn n LYS 9 N -4.08 1.57 -0.01 3.15 4.76 0.53 -4.02 118.16 120.05 1dgn n LYS 9 Ca -0.03 -0.55 -0.16 0.00 -2.87 0.00 0.00 58.31 54.70 1dgn n LYS 9 Cb 0.55 -1.52 -0.11 0.00 -1.84 0.00 0.00 35.03 32.10 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 0.57 0.33 0.00 1.97 2.43 0.18 -2.67 114.38 117.19 1dgn h ARG 10 Ca 0.03 -0.34 -0.07 0.00 -0.81 0.00 0.00 59.98 58.80 1dgn h ARG 10 Cb 0.91 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1dgn h ARG 10 CO 0.12 1.02 -0.32 0.00 -1.51 0.00 0.00 179.97 179.28 1dgn h ARG 11 N -0.24 0.00 0.05 0.20 3.08 -1.81 -2.60 114.38 113.07 1dgn h ARG 11 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1dgn h ARG 11 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1dgn h ARG 11 CO 0.09 0.32 -0.03 0.82 -1.07 0.00 0.00 179.97 180.10 1dgn h ILE 12 N 0.00 0.00 -0.16 2.04 2.04 -1.81 -2.99 117.51 116.64 1dgn h ILE 12 Ca -0.00 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.77 1dgn h ILE 12 Cb 0.67 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.68 1dgn h ILE 12 CO 0.04 0.00 -0.41 0.15 0.00 0.00 0.00 178.15 177.93 1dgn h PHE 13 N -0.21 -1.17 -0.64 1.37 3.04 -1.58 -2.08 116.94 115.68 1dgn h PHE 13 Ca -0.01 0.05 0.13 0.00 3.98 0.00 0.00 57.97 62.12 1dgn h PHE 13 Cb 0.06 0.54 -0.12 0.00 2.56 0.00 0.00 35.95 38.98 1dgn h PHE 13 CO 0.05 -0.46 -0.17 0.97 -2.02 0.00 0.00 178.31 176.68 1dgn h ILE 14 N -0.47 0.34 -1.26 1.41 2.10 -1.64 -0.36 117.51 117.63 1dgn h ILE 14 Ca 0.08 0.00 -0.65 0.00 1.08 0.00 0.00 64.86 65.38 1dgn h ILE 14 Cb 0.61 0.34 -0.17 0.00 -1.09 0.00 0.00 36.82 36.52 1dgn h ILE 14 CO -0.41 0.00 1.36 1.41 -1.08 0.00 0.00 178.15 179.43 1dgn n HIS 15 N -5.44 2.21 0.12 2.19 8.25 -0.79 -4.29 115.22 117.47 1dgn n HIS 15 Ca 0.08 -2.40 0.00 0.00 -0.26 0.00 0.00 57.72 55.14 1dgn n HIS 15 Cb 0.34 -1.55 0.00 0.00 1.12 0.00 0.00 29.99 29.90 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 1.07 -2.19 -4.54 0.41 7.64 -0.63 -4.88 113.62 110.49 1dgn n SER 16 Ca 0.55 0.64 -0.63 0.00 1.01 0.00 0.00 58.87 60.44 1dgn n SER 16 Cb 0.37 2.24 -0.09 0.00 -1.01 0.00 0.00 64.21 65.73 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 -3.12 0.00 -2.94 0.44 3.14 -0.24 -4.89 118.33 110.71 1dgn n VAL 17 Ca 0.00 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.02 1dgn n VAL 17 Cb 0.00 -0.27 -0.06 0.00 -1.06 0.00 0.00 33.84 32.45 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 1.60 2.63 0.57 7.55 0.00 -1.26 -4.92 107.32 113.50 1dgn s GLY 18 Ca 0.97 0.33 0.40 0.00 0.00 0.00 0.00 44.72 46.41 1dgn s GLY 18 CO 0.69 0.69 1.57 0.00 0.00 0.00 0.00 173.10 176.06 1dgn h ALA 19 N 3.01 3.35 0.13 3.20 0.00 -1.98 -1.35 119.26 125.61 1dgn h ALA 19 Ca -0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1dgn h ALA 19 Cb 1.19 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1dgn h ALA 19 CO 0.65 -1.93 -0.06 0.78 0.00 0.00 0.00 179.25 178.68 1dgn h GLY 20 N 0.00 -0.18 -1.08 0.00 0.00 -2.00 -3.32 103.07 96.48 1dgn h GLY 20 Ca 0.69 0.07 0.43 0.00 0.00 0.00 0.00 47.33 48.51 1dgn h GLY 20 CO -0.01 -0.07 0.88 -0.84 0.00 0.00 0.00 176.54 176.51 1dgn h THR 21 N -0.72 0.15 0.34 4.70 2.02 -1.64 -0.61 112.91 117.14 1dgn h THR 21 Ca -0.02 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1dgn h THR 21 Cb 0.13 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 1dgn h THR 21 CO 0.03 0.02 -0.52 0.40 0.37 0.00 0.00 175.52 175.82 1dgn h ILE 22 N 0.10 0.00 -0.93 3.11 2.04 -1.57 0.71 117.51 120.97 1dgn h ILE 22 Ca 0.81 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.81 1dgn h ILE 22 Cb 2.58 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 38.58 1dgn h ILE 22 CO -0.37 0.00 0.59 -1.13 0.00 0.00 0.00 178.15 177.24 1dgn h ASN 23 N -0.90 0.71 1.07 1.72 -0.00 -1.23 0.60 115.58 117.56 1dgn h ASN 23 Ca -0.04 0.05 -0.13 0.00 -0.00 0.00 0.00 56.30 56.18 1dgn h ASN 23 Cb 0.83 -0.09 -0.02 0.00 -0.00 0.00 0.00 38.32 39.04 1dgn h ASN 23 CO -0.16 0.35 -0.62 0.00 -0.00 0.00 0.00 177.43 177.00 1dgn h ALA 24 N 1.59 0.71 0.22 1.57 0.00 -1.27 -2.76 119.26 119.33 1dgn h ALA 24 Ca 0.48 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1dgn h ALA 24 Cb 0.72 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1dgn h ALA 24 CO -0.24 0.77 -0.11 1.25 0.00 0.00 0.00 179.25 180.93 1dgn h LEU 25 N 0.00 -0.25 -2.24 0.00 7.12 0.25 -3.02 115.31 117.17 1dgn h LEU 25 Ca -0.01 -0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.93 1dgn h LEU 25 Cb 1.32 0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 41.52 1dgn h LEU 25 CO 0.08 0.24 0.00 0.17 -0.13 0.00 0.00 178.44 178.80 1dgn h LEU 26 N -1.05 0.00 -0.25 2.25 8.10 -1.19 -1.72 115.31 121.44 1dgn h LEU 26 Ca -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.95 1dgn h LEU 26 Cb 0.31 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.52 1dgn h LEU 26 CO 0.05 0.00 0.11 -0.78 -4.11 0.00 0.00 178.44 173.71 1dgn h ASP 27 N 0.00 0.34 -0.65 0.17 3.58 -1.55 -2.68 116.42 115.62 1dgn h ASP 27 Ca 0.00 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.27 1dgn h ASP 27 Cb 0.00 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 1dgn h ASP 27 CO -0.00 0.40 0.27 0.00 -2.88 0.00 0.00 179.24 177.02 1dgn h LEU 29 N 0.92 0.18 -0.85 0.00 3.38 -1.24 0.58 115.31 118.28 1dgn h LEU 29 Ca 0.22 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.36 1dgn h LEU 29 Cb 0.20 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1dgn h LEU 29 CO -0.02 0.08 0.52 -0.07 0.09 0.00 0.00 178.44 179.04 1dgn h LEU 30 N 0.38 0.82 -0.96 1.67 3.38 -1.18 -1.12 115.31 118.30 1dgn h LEU 30 Ca 0.37 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.56 1dgn h LEU 30 Cb 0.54 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.03 1dgn h LEU 30 CO -0.39 0.52 0.54 -0.08 0.09 0.00 0.00 178.44 179.12 1dgn h GLU 31 N 0.95 0.63 0.00 1.13 4.57 -0.77 0.86 114.58 121.95 1dgn h GLU 31 Ca 0.37 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 1dgn h GLU 31 Cb 0.19 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1dgn h GLU 31 CO -0.18 0.41 0.00 -0.44 -1.18 0.00 0.00 179.01 177.63 1dgn h ASP 32 N 0.64 0.00 -2.63 1.04 3.32 -1.04 -3.47 116.42 114.28 1dgn h ASP 32 Ca 0.57 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.34 1dgn h ASP 32 Cb 0.95 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.52 1dgn h ASP 32 CO -0.42 0.00 -0.39 -0.62 -1.72 0.00 0.00 179.24 176.09 1dgn n GLU 33 N -2.55 -2.32 0.00 3.56 1.02 0.30 -4.94 120.64 115.71 1dgn n GLU 33 Ca 0.04 0.64 -0.17 0.00 -0.02 0.00 0.00 57.16 57.65 1dgn n GLU 33 Cb 0.39 -4.90 -0.12 0.00 -0.02 0.00 0.00 31.44 26.79 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 -0.52 1.51 -3.45 2.62 3.04 -1.78 -3.46 116.25 114.22 1dgn h VAL 34 Ca -0.35 -2.17 -0.50 0.00 -1.01 0.00 0.00 66.70 62.67 1dgn h VAL 34 Cb 1.25 2.86 0.00 0.00 -2.01 0.00 0.00 31.29 33.39 1dgn h VAL 34 CO 0.39 0.61 0.01 0.27 -1.01 0.00 0.00 177.57 177.83 1dgn s ILE 35 N -2.92 4.91 0.23 3.17 -4.36 -1.26 -5.05 121.20 115.91 1dgn s ILE 35 Ca -0.14 0.30 0.05 0.00 -0.26 0.00 0.00 60.65 60.60 1dgn s ILE 35 Cb 0.02 -3.76 -0.03 0.00 1.25 0.00 0.00 42.46 39.94 1dgn s ILE 35 CO 0.79 -0.49 0.32 -0.94 0.24 0.00 0.00 174.94 174.86 1dgn s SER 36 N -3.33 6.17 0.58 4.36 1.04 -1.26 -4.90 113.70 116.35 1dgn s SER 36 Ca 0.47 0.02 0.32 0.00 0.48 0.00 0.00 55.95 57.24 1dgn s SER 36 Cb -0.10 -1.78 1.40 0.00 0.10 0.00 0.00 66.02 65.63 1dgn s SER 36 CO 0.33 -0.05 1.73 -0.61 0.98 0.00 0.00 173.24 175.62 1dgn h GLN 37 N 1.35 0.00 0.07 4.02 -0.00 -1.99 0.31 115.11 118.88 1dgn h GLN 37 Ca -0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.14 1dgn h GLN 37 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.71 1dgn h GLN 37 CO 0.62 0.00 -0.03 0.93 0.00 0.00 0.00 178.83 180.34 1dgn h GLU 38 N 0.00 -0.09 -0.52 1.69 4.39 -2.00 -2.71 114.58 115.34 1dgn h GLU 38 Ca 0.42 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 60.03 1dgn h GLU 38 Cb 2.01 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.65 1dgn h GLU 38 CO -0.00 0.35 -0.02 -0.44 -1.16 0.00 0.00 179.01 177.73 1dgn h ASP 39 N -0.56 0.88 -0.33 1.42 3.32 -0.89 -1.88 116.42 118.38 1dgn h ASP 39 Ca -0.01 -0.24 0.09 0.00 0.02 0.00 0.00 57.03 56.89 1dgn h ASP 39 Cb 0.48 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1dgn h ASP 39 CO 0.02 0.96 0.24 -0.03 -1.72 0.00 0.00 179.24 178.71 1dgn h MET 40 N 0.83 0.00 -0.17 3.56 4.05 -0.82 -0.67 114.93 121.71 1dgn h MET 40 Ca 0.15 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.41 1dgn h MET 40 Cb 0.53 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 1dgn h MET 40 CO 0.03 0.00 -0.54 -0.91 0.23 0.00 0.00 176.91 175.72 1dgn h ASN 41 N 0.00 0.77 -0.61 1.39 -0.26 -1.00 -1.83 115.58 114.04 1dgn h ASN 41 Ca 0.16 -0.59 0.12 0.00 -0.56 0.00 0.00 56.30 55.43 1dgn h ASN 41 Cb 0.64 -0.22 -0.11 0.00 -1.06 0.00 0.00 38.32 37.56 1dgn h ASN 41 CO -0.00 1.23 -0.11 0.11 -1.06 0.00 0.00 177.43 177.60 1dgn h LYS 42 N 0.35 0.03 0.09 0.81 1.79 -0.92 0.37 116.57 119.09 1dgn h LYS 42 Ca -0.02 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1dgn h LYS 42 Cb 1.16 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1dgn h LYS 42 CO 0.11 0.02 -0.04 0.28 -1.08 0.00 0.00 179.45 178.74 1dgn h VAL 43 N 0.03 1.12 0.00 0.50 2.07 -1.58 -3.12 116.25 115.27 1dgn h VAL 43 Ca 0.30 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1dgn h VAL 43 Cb 0.47 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1dgn h VAL 43 CO -0.60 0.30 0.12 -1.14 0.02 0.00 0.00 177.57 176.27 1dgn n ARG 44 N -4.85 0.06 0.12 1.57 3.00 -0.69 -1.00 116.66 114.89 1dgn n ARG 44 Ca -0.08 0.52 0.10 0.00 -0.00 0.00 0.00 57.85 58.38 1dgn n ARG 44 Cb 0.29 -1.83 0.47 0.00 0.00 0.00 0.00 32.46 31.40 1dgn n ARG 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1dgn n ASP 45 N -1.82 0.50 -3.80 6.15 2.03 0.13 -4.88 116.55 114.85 1dgn n ASP 45 Ca -0.01 0.69 -0.32 0.00 0.52 0.00 0.00 54.79 55.67 1dgn n ASP 45 Cb 0.13 -0.77 0.02 0.00 -0.72 0.00 0.00 41.12 39.78 1dgn n ASP 45 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1dgn n GLU 46 N -2.12 -1.00 0.04 -0.67 1.02 -0.17 -4.88 120.64 112.87 1dgn n GLU 46 Ca 0.00 0.52 -0.08 0.00 -0.02 0.00 0.00 57.16 57.58 1dgn n GLU 46 Cb 0.10 -3.13 -0.05 0.00 -0.02 0.00 0.00 31.44 28.34 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 -1.42 -0.77 0.00 1.62 2.35 -1.86 -3.48 115.58 112.01 1dgn h ASN 47 Ca -0.62 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 1dgn h ASN 47 Cb 1.36 0.29 0.00 0.00 0.05 0.00 0.00 38.32 40.02 1dgn h ASN 47 CO 0.44 -0.26 0.00 0.47 -1.65 0.00 0.00 177.43 176.43 1dgn n ASP 48 N -3.90 3.95 -4.47 5.81 9.92 -1.26 -5.05 116.55 121.55 1dgn n ASP 48 Ca -0.04 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.91 1dgn n ASP 48 Cb 0.19 0.00 0.17 0.00 -0.64 0.00 0.00 41.12 40.85 1dgn n ASP 48 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1dgn n THR 49 N 0.00 0.00 -0.44 -3.53 -2.24 -1.26 -4.40 114.28 102.41 1dgn n THR 49 Ca 0.00 -0.21 0.38 0.00 -2.27 0.00 0.00 64.05 61.95 1dgn n THR 49 Cb 0.00 -0.80 0.71 0.00 -2.10 0.00 0.00 70.33 68.15 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 -1.98 0.28 -1.01 2.28 2.07 -1.97 0.46 116.25 116.38 1dgn h VAL 50 Ca -0.49 -0.03 0.14 0.00 0.82 0.00 0.00 66.70 67.15 1dgn h VAL 50 Cb 1.30 0.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.18 1dgn h VAL 50 CO 0.40 0.01 0.63 0.24 0.02 0.00 0.00 177.57 178.87 1dgn h MET 51 N 0.08 0.90 0.15 1.57 2.86 -1.86 0.23 114.93 118.86 1dgn h MET 51 Ca 0.70 -0.05 -0.27 0.00 -2.06 0.00 0.00 59.70 58.02 1dgn h MET 51 Cb 2.56 -0.20 0.01 0.00 0.06 0.00 0.00 31.60 34.03 1dgn h MET 51 CO -0.13 0.59 -1.30 0.22 1.06 0.00 0.00 176.91 177.36 1dgn h ASP 52 N 0.93 0.51 -0.75 1.22 1.82 -0.36 -2.88 116.42 116.89 1dgn h ASP 52 Ca 0.52 -0.90 0.02 0.00 -0.39 0.00 0.00 57.03 56.28 1dgn h ASP 52 Cb 0.62 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.42 1dgn h ASP 52 CO -0.30 1.59 0.50 0.11 -1.61 0.00 0.00 179.24 179.53 1dgn h LYS 53 N -0.20 0.94 0.08 0.28 1.57 -1.01 -2.56 116.57 115.66 1dgn h LYS 53 Ca -0.26 -0.06 -0.27 0.00 -1.87 0.00 0.00 60.65 58.19 1dgn h LYS 53 Cb 1.83 -0.21 0.02 0.00 0.08 0.00 0.00 32.23 33.95 1dgn h LYS 53 CO 0.13 0.62 -1.14 0.00 -0.57 0.00 0.00 179.45 178.49 1dgn h ALA 54 N 1.55 0.13 -0.31 3.86 0.00 -0.67 -2.94 119.26 120.87 1dgn h ALA 54 Ca 0.29 -0.77 0.07 0.00 0.00 0.00 0.00 54.91 54.51 1dgn h ALA 54 Cb -0.02 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1dgn h ALA 54 CO -0.08 0.77 -0.26 -0.09 0.00 0.00 0.00 179.25 179.59 1dgn h ARG 55 N 0.24 -0.23 -0.26 0.00 1.12 -1.23 -1.32 114.38 112.71 1dgn h ARG 55 Ca -0.14 0.02 -0.18 0.00 -1.11 0.00 0.00 59.98 58.56 1dgn h ARG 55 Cb 1.81 0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 31.82 1dgn h ARG 55 CO 0.21 -0.15 -0.56 -0.39 -3.11 0.00 0.00 179.97 175.96 1dgn h VAL 56 N -0.24 1.28 0.39 0.20 -1.51 -1.64 -2.99 116.25 111.73 1dgn h VAL 56 Ca 0.16 -1.76 -0.01 0.00 -1.23 0.00 0.00 66.70 63.86 1dgn h VAL 56 Cb 0.49 1.68 -0.03 0.00 -2.13 0.00 0.00 31.29 31.29 1dgn h VAL 56 CO -0.45 0.57 -0.50 0.25 -1.23 0.00 0.00 177.57 176.21 1dgn h LEU 57 N 0.62 -1.41 -0.84 4.19 5.85 -1.23 0.17 115.31 122.66 1dgn h LEU 57 Ca 0.01 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1dgn h LEU 57 Cb 1.16 0.48 -0.06 0.00 0.37 0.00 0.00 40.66 42.61 1dgn h LEU 57 CO 0.12 -0.62 0.52 -0.29 -0.34 0.00 0.00 178.44 177.83 1dgn h ILE 58 N -0.91 1.02 0.90 4.05 2.10 -1.36 -2.75 117.51 120.56 1dgn h ILE 58 Ca -0.05 -0.32 -0.04 0.00 1.08 0.00 0.00 64.86 65.53 1dgn h ILE 58 Cb 0.82 0.01 0.01 0.00 -1.09 0.00 0.00 36.82 36.57 1dgn h ILE 58 CO -0.12 0.17 -0.43 -0.78 -1.08 0.00 0.00 178.15 175.90 1dgn h ASP 59 N 0.93 -1.03 -0.97 2.19 1.82 -1.32 -2.89 116.42 115.15 1dgn h ASP 59 Ca 0.37 0.04 0.27 0.00 -0.39 0.00 0.00 57.03 57.31 1dgn h ASP 59 Cb 0.20 0.27 -0.18 0.00 0.68 0.00 0.00 39.33 40.30 1dgn h ASP 59 CO -0.18 -0.69 0.04 -0.07 -1.61 0.00 0.00 179.24 176.73 1dgn h LEU 60 N -1.30 -0.44 0.27 2.28 3.38 -0.54 -1.05 115.31 117.91 1dgn h LEU 60 Ca -0.12 0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1dgn h LEU 60 Cb 0.93 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1dgn h LEU 60 CO 0.20 -0.34 -0.21 0.58 0.09 0.00 0.00 178.44 178.77 1dgn h VAL 61 N 0.02 0.00 -0.77 1.22 2.07 -1.40 -2.99 116.25 114.40 1dgn h VAL 61 Ca 0.59 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.26 1dgn h VAL 61 Cb 1.21 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.83 1dgn h VAL 61 CO -0.89 0.00 -0.19 0.74 0.02 0.00 0.00 177.57 177.25 1dgn h THR 62 N -0.46 0.23 -0.98 2.57 2.02 -1.05 0.16 112.91 115.40 1dgn h THR 62 Ca -0.04 -0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.48 1dgn h THR 62 Cb 0.38 0.23 -0.16 0.00 -1.74 0.00 0.00 68.15 66.86 1dgn h THR 62 CO 0.01 0.00 0.47 1.23 0.37 0.00 0.00 175.52 177.59 1dgn h GLY 63 N 0.00 1.96 -1.84 2.16 0.00 -1.10 0.85 103.07 105.11 1dgn h GLY 63 Ca 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1dgn h GLY 63 CO -0.79 -0.58 0.00 0.28 0.00 0.00 0.00 176.54 175.45 1dgn n LYS 64 N -5.18 0.86 -0.10 4.80 4.76 0.57 -4.95 118.16 118.92 1dgn n LYS 64 Ca 0.31 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.77 1dgn n LYS 64 Cb 1.02 -1.12 -0.00 0.00 -1.84 0.00 0.00 35.03 33.08 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 0.49 -1.84 0.09 0.72 0.00 0.30 -4.37 105.19 100.58 1dgn n GLY 65 Ca 0.00 -1.48 0.13 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.32 0.20 0.27 1.61 -0.04 -1.26 -3.31 135.00 130.15 1dgn n PRO 66 Ca -0.00 0.24 0.15 0.00 -0.04 0.00 0.00 63.50 63.85 1dgn n PRO 66 Cb 0.05 -1.77 0.87 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.00 0.54 3.64 -1.94 -0.32 116.57 118.50 1dgn h LYS 67 Ca 0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 1dgn h LYS 67 Cb 0.60 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1dgn h LYS 67 CO 0.00 0.00 -1.09 1.03 -2.27 0.00 0.00 179.45 177.12 1dgn h SER 68 N 0.00 0.02 -0.36 4.20 0.87 -1.75 -3.34 113.55 113.19 1dgn h SER 68 Ca 0.03 -0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.64 1dgn h SER 68 Cb 0.14 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.03 1dgn h SER 68 CO -0.00 1.01 -0.06 0.00 -0.53 0.00 0.00 176.83 177.25 1dgn h LYS 71 N 0.05 0.00 0.18 0.00 1.79 -1.57 -2.91 116.57 114.11 1dgn h LYS 71 Ca 0.58 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 59.04 1dgn h LYS 71 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1dgn h LYS 71 CO -0.84 0.60 -0.09 0.35 -1.08 0.00 0.00 179.45 178.40 1dgn h PHE 72 N 0.00 -0.22 -0.43 -1.35 3.57 0.19 -0.59 116.94 118.11 1dgn h PHE 72 Ca -0.01 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1dgn h PHE 72 Cb 1.28 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 1dgn h PHE 72 CO 0.00 0.18 0.09 0.82 -2.23 0.00 0.00 178.31 177.17 1dgn h ILE 73 N -0.72 1.20 0.10 1.41 2.04 -0.88 -2.50 117.51 118.16 1dgn h ILE 73 Ca -0.02 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 1dgn h ILE 73 Cb 0.50 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1dgn h ILE 73 CO 0.04 0.26 -0.05 0.11 0.00 0.00 0.00 178.15 178.52 1dgn h LYS 74 N 0.64 -0.13 -1.16 2.37 1.57 -1.55 -2.53 116.57 115.78 1dgn h LYS 74 Ca 0.14 0.01 0.34 0.00 -1.87 0.00 0.00 60.65 59.27 1dgn h LYS 74 Cb 0.27 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1dgn h LYS 74 CO -0.00 -0.09 1.07 0.45 -0.57 0.00 0.00 179.45 180.32 1dgn h HIS 75 N -0.35 0.00 0.11 -1.35 3.86 -1.18 0.14 115.15 116.39 1dgn h HIS 75 Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1dgn h HIS 75 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1dgn h HIS 75 CO 0.05 0.00 -0.05 1.25 0.86 0.00 0.00 177.93 180.04 1dgn h LEU 76 N 0.00 -0.13 -1.76 2.43 5.85 -1.49 -3.04 115.31 117.17 1dgn h LEU 76 Ca 0.55 -0.34 0.49 0.00 0.84 0.00 0.00 57.88 59.42 1dgn h LEU 76 Cb 2.69 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 43.66 1dgn h LEU 76 CO -0.01 0.49 1.13 0.00 -0.34 0.00 0.00 178.44 179.71 1dgn h GLU 78 N 0.03 0.25 0.17 0.00 5.08 -1.58 -3.29 114.58 115.23 1dgn h GLU 78 Ca 0.85 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.82 1dgn h GLU 78 Cb 3.12 0.14 0.00 0.00 0.50 0.00 0.00 28.75 32.51 1dgn h GLU 78 CO -0.17 1.15 -0.08 0.93 -1.00 0.00 0.00 179.01 179.84 1dgn h GLU 79 N -0.46 -0.23 -4.29 2.33 4.39 -0.12 -3.42 114.58 112.79 1dgn h GLU 79 Ca -0.10 0.02 -0.65 0.00 0.34 0.00 0.00 59.36 58.96 1dgn h GLU 79 Cb 1.43 0.05 -0.40 0.00 -0.10 0.00 0.00 28.75 29.73 1dgn h GLU 79 CO 0.11 0.19 -0.70 0.34 -1.16 0.00 0.00 179.01 177.80 1dgn s ASP 80 N -5.41 4.61 0.11 1.42 -1.08 0.12 -4.96 116.67 111.48 1dgn s ASP 80 Ca -0.13 -2.38 0.26 0.00 -0.52 0.00 0.00 52.55 49.77 1dgn s ASP 80 Cb 0.01 -1.61 0.77 0.00 -1.46 0.00 0.00 42.92 40.63 1dgn s ASP 80 CO 0.52 -0.34 1.66 -0.81 0.52 0.00 0.00 175.17 176.72 1dgn n PRO 81 N 3.95 0.17 0.07 4.34 -0.04 -1.24 -2.54 135.00 139.71 1dgn n PRO 81 Ca 0.04 0.11 -0.06 0.00 -0.04 0.00 0.00 63.50 63.55 1dgn n PRO 81 Cb 0.39 -1.67 -0.04 0.00 -0.04 0.00 0.00 33.50 32.15 1dgn n PRO 81 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1dgn h GLN 82 N 0.00 -0.27 -0.16 0.54 -0.00 -1.92 -3.22 115.11 110.08 1dgn h GLN 82 Ca 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.65 1dgn h GLN 82 Cb 0.65 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.19 1dgn h GLN 82 CO 0.00 -0.07 0.03 1.25 0.00 0.00 0.00 178.83 180.05 1dgn h LEU 83 N -1.04 0.25 -0.17 -2.39 5.85 -1.98 -2.03 115.31 113.81 1dgn h LEU 83 Ca -0.03 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1dgn h LEU 83 Cb 0.32 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1dgn h LEU 83 CO 0.05 0.43 0.26 0.00 -0.34 0.00 0.00 178.44 178.84 1dgn n ALA 84 N -2.27 0.53 -0.34 1.25 0.00 -1.05 -0.69 120.51 117.93 1dgn n ALA 84 Ca -0.05 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.45 1dgn n ALA 84 Cb 0.17 -0.56 0.20 0.00 0.00 0.00 0.00 19.45 19.26 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 0.98 0.73 0.00 0.87 -1.37 2.18 113.55 116.95 1dgn h SER 85 Ca 0.00 0.01 -0.26 0.00 -1.23 0.00 0.00 61.79 60.31 1dgn h SER 85 Cb 0.52 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1dgn h SER 85 CO 0.00 0.63 -1.18 0.11 -0.53 0.00 0.00 176.83 175.85 1dgn h LYS 86 N 1.11 0.20 -0.30 2.24 6.56 -1.12 -3.17 116.57 122.08 1dgn h LYS 86 Ca 0.42 -0.34 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1dgn h LYS 86 Cb 0.19 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1dgn h LYS 86 CO -0.16 1.16 0.00 -1.33 -2.06 0.00 0.00 179.45 177.05 1dgn n MET 87 N -3.48 1.85 -1.00 3.15 2.81 -0.52 -4.25 117.12 115.68 1dgn n MET 87 Ca -0.06 -1.31 -0.21 0.00 -1.81 0.00 0.00 57.70 54.31 1dgn n MET 87 Cb 1.00 -1.34 0.05 0.00 -0.71 0.00 0.00 33.22 32.22 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 1.13 4.53 0.27 3.03 0.00 0.73 -4.72 105.19 110.16 1dgn n GLY 88 Ca 0.14 -1.39 0.12 0.00 0.00 0.00 0.00 46.02 44.90 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 0.01 -0.07 -0.38 0.99 7.99 -1.26 -5.01 117.00 119.27 1dgn n LEU 89 Ca 0.38 1.32 0.14 0.00 -0.01 0.00 0.00 56.01 57.84 1dgn n LEU 89 Cb 0.61 -0.49 0.62 0.00 -0.11 0.00 0.00 43.42 44.05 1dgn n LEU 89 CO 0.48 -1.34 0.92 1.41 -1.51 0.00 0.00 177.39 177.35