#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 -1.21 -0.32 0.00 1.47 -1.26 -5.01 116.67 110.35 1dgn s ASP 3 Ca 0.00 -1.22 0.16 0.00 1.18 0.00 0.00 52.55 52.67 1dgn s ASP 3 Cb 0.00 1.57 0.44 0.00 -0.34 0.00 0.00 42.92 44.59 1dgn s ASP 3 CO 0.00 -0.07 1.36 0.00 0.68 0.00 0.00 175.17 177.14 1dgn n GLN 4 N 3.23 1.44 0.18 2.11 1.13 -1.26 -4.99 117.38 119.22 1dgn n GLN 4 Ca 0.15 -2.09 -0.10 0.00 -1.94 0.00 0.00 57.00 53.02 1dgn n GLN 4 Cb 0.58 -0.33 -0.05 0.00 0.11 0.00 0.00 30.24 30.55 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 1.72 -0.68 -0.60 1.08 6.46 -2.00 -2.97 115.31 118.31 1dgn h LEU 5 Ca -0.32 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 57.58 1dgn h LEU 5 Cb 1.28 0.22 -0.11 0.00 -0.73 0.00 0.00 40.66 41.32 1dgn h LEU 5 CO -0.02 -0.36 -0.43 -0.07 -0.62 0.00 0.00 178.44 176.93 1dgn h LEU 6 N -0.55 -1.50 -0.51 2.25 -0.00 -1.95 0.17 115.31 113.22 1dgn h LEU 6 Ca -0.04 0.25 0.05 0.00 -0.00 0.00 0.00 57.88 58.13 1dgn h LEU 6 Cb 0.46 0.68 -0.06 0.00 -0.00 0.00 0.00 40.66 41.75 1dgn h LEU 6 CO -0.00 -0.33 -0.30 -1.14 -0.00 0.00 0.00 178.44 176.67 1dgn n ARG 7 N -5.40 -0.22 -0.13 1.13 0.00 -1.17 0.26 116.66 111.13 1dgn n ARG 7 Ca 0.02 1.05 -0.13 0.00 -0.00 0.00 0.00 57.85 58.79 1dgn n ARG 7 Cb 0.35 -1.55 -0.02 0.00 0.00 0.00 0.00 32.46 31.24 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 0.90 -0.89 -0.14 1.57 -1.27 -2.93 116.57 113.81 1dgn h LYS 8 Ca 0.08 -0.44 -0.08 0.00 -1.87 0.00 0.00 60.65 58.34 1dgn h LYS 8 Cb 0.21 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1dgn h LYS 8 CO -0.48 1.09 0.10 1.63 -0.57 0.00 0.00 179.45 181.23 1dgn n LYS 9 N -4.13 2.23 0.10 3.15 4.76 0.54 -4.11 118.16 120.70 1dgn n LYS 9 Ca -0.02 -1.31 -0.04 0.00 -2.87 0.00 0.00 58.31 54.07 1dgn n LYS 9 Cb 0.50 -1.70 0.03 0.00 -1.84 0.00 0.00 35.03 32.02 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 1.22 0.00 0.00 1.97 1.12 0.38 -3.02 114.38 116.04 1dgn h ARG 10 Ca 0.10 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.84 1dgn h ARG 10 Cb 1.38 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.32 1dgn h ARG 10 CO 0.31 0.80 -0.60 0.07 -3.11 0.00 0.00 179.97 177.43 1dgn h ARG 11 N 0.00 0.00 0.13 0.20 0.11 -1.81 -2.95 114.38 110.05 1dgn h ARG 11 Ca -0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1dgn h ARG 11 Cb 1.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.49 1dgn h ARG 11 CO 0.10 0.60 -0.06 0.82 0.10 0.00 0.00 179.97 181.54 1dgn h ILE 12 N 0.00 0.00 -0.08 0.08 2.04 -1.84 -3.00 117.51 114.71 1dgn h ILE 12 Ca -0.01 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.50 1dgn h ILE 12 Cb 1.24 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 1dgn h ILE 12 CO 0.08 0.00 -0.40 0.15 0.00 0.00 0.00 178.15 177.97 1dgn h PHE 13 N -0.57 -1.15 -0.55 1.37 3.57 -1.68 -2.24 116.94 115.71 1dgn h PHE 13 Ca -0.02 0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.63 1dgn h PHE 13 Cb 0.13 0.51 -0.11 0.00 2.79 0.00 0.00 35.95 39.28 1dgn h PHE 13 CO 0.03 -0.47 -0.21 0.97 -2.23 0.00 0.00 178.31 176.39 1dgn h ILE 14 N -0.51 0.33 -1.28 1.41 2.10 -1.69 0.19 117.51 118.06 1dgn h ILE 14 Ca 0.07 0.00 -0.59 0.00 1.08 0.00 0.00 64.86 65.41 1dgn h ILE 14 Cb 0.63 0.33 -0.19 0.00 -1.09 0.00 0.00 36.82 36.50 1dgn h ILE 14 CO -0.36 0.00 0.84 1.41 -1.08 0.00 0.00 178.15 178.97 1dgn n HIS 15 N -5.42 2.02 0.10 2.19 8.25 -0.87 -4.25 115.22 117.24 1dgn n HIS 15 Ca 0.05 -2.17 0.00 0.00 -0.26 0.00 0.00 57.72 55.35 1dgn n HIS 15 Cb 0.32 -1.41 0.00 0.00 1.12 0.00 0.00 29.99 30.02 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 0.75 -1.82 -4.66 0.41 7.64 -0.51 -4.88 113.62 110.56 1dgn n SER 16 Ca 0.52 0.45 -0.61 0.00 1.01 0.00 0.00 58.87 60.23 1dgn n SER 16 Cb 0.44 1.92 -0.08 0.00 -1.01 0.00 0.00 64.21 65.47 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 0.07 -2.93 0.44 3.14 0.55 -4.90 118.33 111.80 1dgn n VAL 17 Ca 0.00 -0.01 -0.38 0.00 -2.96 0.00 0.00 64.34 60.99 1dgn n VAL 17 Cb 0.00 -0.58 -0.06 0.00 -1.06 0.00 0.00 33.84 32.14 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 2.02 2.84 0.48 7.55 0.00 -1.26 -4.92 107.32 114.03 1dgn s GLY 18 Ca 0.97 0.39 0.39 0.00 0.00 0.00 0.00 44.72 46.47 1dgn s GLY 18 CO 0.67 0.85 1.55 0.00 0.00 0.00 0.00 173.10 176.17 1dgn n ALA 19 N 1.10 1.55 0.20 3.20 0.00 -1.26 -1.13 120.51 124.18 1dgn n ALA 19 Ca -0.02 0.78 -0.08 0.00 0.00 0.00 0.00 53.44 54.12 1dgn n ALA 19 Cb 0.49 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 1dgn n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1dgn h GLY 20 N 0.00 -0.56 -0.48 0.00 0.00 -2.01 -3.27 103.07 96.75 1dgn h GLY 20 Ca 0.90 0.21 0.28 0.00 0.00 0.00 0.00 47.33 48.71 1dgn h GLY 20 CO -0.30 -0.20 0.41 -0.84 0.00 0.00 0.00 176.54 175.61 1dgn h THR 21 N -0.83 0.31 -0.64 4.70 2.02 -1.48 -0.44 112.91 116.55 1dgn h THR 21 Ca -0.06 -0.10 0.12 0.00 0.77 0.00 0.00 66.41 67.15 1dgn h THR 21 Cb 0.41 0.01 -0.12 0.00 -1.74 0.00 0.00 68.15 66.71 1dgn h THR 21 CO 0.09 0.05 -0.25 0.40 0.37 0.00 0.00 175.52 176.18 1dgn h ILE 22 N 0.28 0.24 -0.74 3.11 2.04 -1.50 0.76 117.51 121.71 1dgn h ILE 22 Ca 0.65 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.51 1dgn h ILE 22 Cb 1.39 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1dgn h ILE 22 CO -0.63 0.00 0.47 -1.13 0.00 0.00 0.00 178.15 176.87 1dgn h ASN 23 N -0.08 0.86 1.18 1.72 -1.24 -1.15 -1.05 115.58 115.83 1dgn h ASN 23 Ca 0.29 -0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.21 1dgn h ASN 23 Cb 0.53 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 1dgn h ASN 23 CO -0.70 0.64 -0.24 0.00 -1.29 0.00 0.00 177.43 175.85 1dgn h ALA 24 N 1.26 0.94 0.12 1.57 0.00 -0.91 -2.92 119.26 119.31 1dgn h ALA 24 Ca 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1dgn h ALA 24 Cb -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1dgn h ALA 24 CO -0.06 0.30 -0.06 1.25 0.00 0.00 0.00 179.25 180.68 1dgn h LEU 25 N 0.00 -0.13 -1.81 0.00 7.12 0.11 -3.07 115.31 117.53 1dgn h LEU 25 Ca -0.00 -0.06 0.12 0.00 0.13 0.00 0.00 57.88 58.07 1dgn h LEU 25 Cb 0.89 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 41.03 1dgn h LEU 25 CO 0.03 0.38 0.38 0.17 -0.13 0.00 0.00 178.44 179.27 1dgn h LEU 26 N -1.03 0.18 0.03 2.25 8.10 -1.32 -1.24 115.31 122.27 1dgn h LEU 26 Ca -0.02 0.01 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 1dgn h LEU 26 Cb 0.19 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.38 1dgn h LEU 26 CO 0.03 0.10 -0.01 -0.78 -4.11 0.00 0.00 178.44 173.67 1dgn h ASP 27 N 0.20 -0.04 -1.00 0.17 3.58 -1.61 -2.72 116.42 115.01 1dgn h ASP 27 Ca 0.26 -0.08 0.07 0.00 0.42 0.00 0.00 57.03 57.71 1dgn h ASP 27 Cb 0.76 0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.75 1dgn h ASP 27 CO -0.05 0.06 0.64 0.00 -2.88 0.00 0.00 179.24 177.02 1dgn h LEU 29 N 1.14 -0.07 -0.73 0.00 3.38 -1.13 -0.03 115.31 117.87 1dgn h LEU 29 Ca 0.44 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.62 1dgn h LEU 29 Cb 0.22 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 1dgn h LEU 29 CO -0.19 -0.02 0.38 -0.07 0.09 0.00 0.00 178.44 178.63 1dgn h LEU 30 N 0.21 0.51 -0.92 1.67 4.07 -1.26 -0.69 115.31 118.89 1dgn h LEU 30 Ca 0.29 0.06 0.23 0.00 0.08 0.00 0.00 57.88 58.53 1dgn h LEU 30 Cb 0.43 -0.04 -0.13 0.00 1.08 0.00 0.00 40.66 42.01 1dgn h LEU 30 CO -0.40 0.30 0.44 -0.08 -1.08 0.00 0.00 178.44 177.62 1dgn h GLU 31 N 0.65 0.43 0.00 1.13 4.81 -0.92 1.13 114.58 121.80 1dgn h GLU 31 Ca 0.35 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1dgn h GLU 31 Cb 0.35 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1dgn h GLU 31 CO -0.26 0.28 0.00 -0.44 -0.73 0.00 0.00 179.01 177.87 1dgn h ASP 32 N 0.44 0.00 -3.04 1.04 3.32 -0.98 -3.47 116.42 113.74 1dgn h ASP 32 Ca 0.58 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 57.32 1dgn h ASP 32 Cb 1.11 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.69 1dgn h ASP 32 CO -0.52 0.00 -0.44 -0.62 -1.72 0.00 0.00 179.24 175.94 1dgn n GLU 33 N -2.88 -2.81 0.01 3.56 -0.58 0.39 -4.92 120.64 113.40 1dgn n GLU 33 Ca 0.03 0.72 -0.18 0.00 -0.42 0.00 0.00 57.16 57.32 1dgn n GLU 33 Cb 0.44 -5.12 -0.11 0.00 -0.57 0.00 0.00 31.44 26.08 1dgn n GLU 33 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1dgn h VAL 34 N -0.66 1.41 -2.90 2.62 3.04 -1.79 -3.46 116.25 114.51 1dgn h VAL 34 Ca -0.39 -2.09 0.00 0.00 -1.01 0.00 0.00 66.70 63.21 1dgn h VAL 34 Cb 1.28 2.56 0.00 0.00 -2.01 0.00 0.00 31.29 33.12 1dgn h VAL 34 CO 0.44 0.61 0.00 2.30 -1.01 0.00 0.00 177.57 179.91 1dgn n ILE 35 N -4.18 0.00 -3.89 3.17 -5.35 -1.26 -4.99 119.36 102.85 1dgn n ILE 35 Ca -0.10 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.27 1dgn n ILE 35 Cb 0.69 -1.51 -0.10 0.00 -1.74 0.00 0.00 39.64 36.99 1dgn n ILE 35 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1dgn s SER 36 N -1.00 0.08 0.49 7.28 0.01 -1.26 -5.01 113.70 114.29 1dgn s SER 36 Ca 0.00 -0.31 0.36 0.00 1.31 0.00 0.00 55.95 57.31 1dgn s SER 36 Cb 0.00 0.20 1.23 0.00 0.21 0.00 0.00 66.02 67.66 1dgn s SER 36 CO 0.00 -0.39 1.25 1.67 0.41 0.00 0.00 173.24 176.17 1dgn n GLN 37 N 1.31 0.00 0.10 12.44 0.00 -1.26 0.88 117.38 130.87 1dgn n GLN 37 Ca -0.22 0.90 -0.12 0.00 -0.00 0.00 0.00 57.00 57.56 1dgn n GLN 37 Cb 0.56 -2.14 -0.08 0.00 0.00 0.00 0.00 30.24 28.58 1dgn n GLN 37 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1dgn h GLU 38 N 0.00 -0.30 -0.22 3.69 4.39 -2.00 -2.74 114.58 117.40 1dgn h GLU 38 Ca 0.67 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.35 1dgn h GLU 38 Cb 2.97 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 31.68 1dgn h GLU 38 CO -0.01 0.07 -0.00 -0.44 -1.16 0.00 0.00 179.01 177.47 1dgn h ASP 39 N -0.79 0.38 -1.10 1.42 3.32 0.09 -2.62 116.42 117.12 1dgn h ASP 39 Ca -0.03 -0.31 0.30 0.00 0.02 0.00 0.00 57.03 57.00 1dgn h ASP 39 Cb 0.51 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.88 1dgn h ASP 39 CO 0.05 0.60 0.74 -0.03 -1.72 0.00 0.00 179.24 178.88 1dgn h MET 40 N 0.14 0.22 -0.28 3.56 4.05 -1.12 0.60 114.93 122.10 1dgn h MET 40 Ca 0.06 -0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 59.30 1dgn h MET 40 Cb 0.41 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1dgn h MET 40 CO 0.01 0.15 -0.49 -0.91 0.23 0.00 0.00 176.91 175.90 1dgn h ASN 41 N 0.23 0.85 -0.63 1.39 -0.26 -1.15 -1.24 115.58 114.76 1dgn h ASN 41 Ca 0.59 -0.43 0.13 0.00 -0.56 0.00 0.00 56.30 56.03 1dgn h ASN 41 Cb 1.83 -0.24 -0.11 0.00 -1.06 0.00 0.00 38.32 38.73 1dgn h ASN 41 CO -0.19 1.19 -0.07 0.50 -1.06 0.00 0.00 177.43 177.80 1dgn h LYS 42 N 0.61 0.06 -0.00 0.81 1.63 0.37 0.86 116.57 120.91 1dgn h LYS 42 Ca 0.03 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1dgn h LYS 42 Cb 1.06 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 1dgn h LYS 42 CO 0.11 0.04 -0.05 0.28 -3.45 0.00 0.00 179.45 176.38 1dgn h VAL 43 N 0.06 1.57 0.00 2.00 2.07 -1.50 -3.13 116.25 117.32 1dgn h VAL 43 Ca 0.32 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1dgn h VAL 43 Cb 0.52 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1dgn h VAL 43 CO -0.59 0.46 0.00 -1.14 0.02 0.00 0.00 177.57 176.32 1dgn n ARG 44 N -4.69 0.14 0.04 1.57 0.00 -0.47 -2.13 116.66 111.11 1dgn n ARG 44 Ca -0.09 0.15 0.08 0.00 -0.00 0.00 0.00 57.85 57.98 1dgn n ARG 44 Cb 0.38 -1.50 0.34 0.00 0.00 0.00 0.00 32.46 31.69 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 -1.19 0.22 -3.02 6.15 2.03 0.29 -4.92 116.55 116.11 1dgn n ASP 45 Ca 0.04 0.56 -0.10 0.00 0.52 0.00 0.00 54.79 55.81 1dgn n ASP 45 Cb 0.04 -0.60 0.01 0.00 -0.72 0.00 0.00 41.12 39.85 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 -1.75 -2.01 0.00 -0.67 -0.58 -0.90 -4.99 120.64 109.74 1dgn n GLU 46 Ca 0.02 1.82 0.00 0.00 -0.42 0.00 0.00 57.16 58.59 1dgn n GLU 46 Cb 0.16 -5.20 0.00 0.00 -0.57 0.00 0.00 31.44 25.83 1dgn n GLU 46 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1dgn n ASN 47 N -0.81 0.00 0.00 1.62 3.02 -1.26 -5.07 115.26 112.75 1dgn n ASN 47 Ca 0.05 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 1dgn n ASN 47 Cb 0.50 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1dgn n ASN 47 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1dgn n ASP 48 N -0.75 4.55 -4.46 6.41 9.92 -1.26 -5.04 116.55 125.92 1dgn n ASP 48 Ca 0.00 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.93 1dgn n ASP 48 Cb 0.00 0.00 0.13 0.00 -0.64 0.00 0.00 41.12 40.61 1dgn n ASP 48 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1dgn n THR 49 N 0.00 0.02 -0.11 -3.53 -1.04 -1.26 -4.38 114.28 103.99 1dgn n THR 49 Ca 0.00 -0.16 0.26 0.00 -2.04 0.00 0.00 64.05 62.11 1dgn n THR 49 Cb 0.00 -0.69 0.60 0.00 -1.82 0.00 0.00 70.33 68.43 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 -1.61 0.17 -0.89 12.58 2.07 -1.96 0.54 116.25 127.15 1dgn h VAL 50 Ca -0.43 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1dgn h VAL 50 Cb 1.28 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1dgn h VAL 50 CO 0.35 0.00 0.51 0.24 0.02 0.00 0.00 177.57 178.69 1dgn h MET 51 N 0.00 1.22 0.14 1.57 2.86 -1.86 0.32 114.93 119.18 1dgn h MET 51 Ca 0.39 -0.12 -0.32 0.00 -2.06 0.00 0.00 59.70 57.58 1dgn h MET 51 Cb 2.14 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 33.55 1dgn h MET 51 CO -0.00 0.87 -1.59 -0.44 1.06 0.00 0.00 176.91 176.81 1dgn h ASP 52 N 1.23 0.45 0.29 1.22 5.19 -0.20 -2.86 116.42 121.74 1dgn h ASP 52 Ca 0.32 -0.64 -0.17 0.00 -0.62 0.00 0.00 57.03 55.92 1dgn h ASP 52 Cb -0.01 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 1dgn h ASP 52 CO -0.06 1.53 -0.69 0.11 -3.12 0.00 0.00 179.24 177.02 1dgn h LYS 53 N 0.08 0.36 0.06 3.56 1.57 -1.31 -3.00 116.57 117.88 1dgn h LYS 53 Ca -0.27 -0.28 -0.24 0.00 -1.87 0.00 0.00 60.65 57.99 1dgn h LYS 53 Cb 2.04 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 34.40 1dgn h LYS 53 CO 0.17 0.91 -1.07 0.00 -0.57 0.00 0.00 179.45 178.88 1dgn h ALA 54 N 1.01 0.27 -0.77 3.86 0.00 -0.49 -2.53 119.26 120.61 1dgn h ALA 54 Ca -0.02 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 1dgn h ALA 54 Cb 1.24 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1dgn h ALA 54 CO 0.11 0.93 0.40 -0.09 0.00 0.00 0.00 179.25 180.61 1dgn h ARG 55 N 0.12 1.09 0.11 0.00 2.43 -1.50 -1.94 114.38 114.69 1dgn h ARG 55 Ca -0.09 -0.14 -0.23 0.00 -0.81 0.00 0.00 59.98 58.71 1dgn h ARG 55 Cb 1.76 -0.21 0.02 0.00 -0.42 0.00 0.00 29.97 31.13 1dgn h ARG 55 CO 0.17 0.82 -0.96 -0.39 -1.51 0.00 0.00 179.97 178.10 1dgn h VAL 56 N 1.09 1.40 -0.10 0.20 -1.51 -1.58 -2.93 116.25 112.82 1dgn h VAL 56 Ca 0.27 -2.42 0.03 0.00 -1.23 0.00 0.00 66.70 63.36 1dgn h VAL 56 Cb 0.06 2.89 -0.04 0.00 -2.13 0.00 0.00 31.29 32.08 1dgn h VAL 56 CO -0.04 0.71 -0.12 0.25 -1.23 0.00 0.00 177.57 177.14 1dgn h LEU 57 N -0.06 -0.37 -1.05 4.19 5.85 -1.32 -0.84 115.31 121.71 1dgn h LEU 57 Ca -0.15 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1dgn h LEU 57 Cb 1.70 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.89 1dgn h LEU 57 CO 0.18 -0.16 0.04 -0.29 -0.34 0.00 0.00 178.44 177.87 1dgn h ILE 58 N -0.16 1.22 0.58 4.05 2.10 -1.48 -3.02 117.51 120.81 1dgn h ILE 58 Ca 0.08 -0.88 -0.03 0.00 1.08 0.00 0.00 64.86 65.11 1dgn h ILE 58 Cb 0.27 0.84 0.01 0.00 -1.09 0.00 0.00 36.82 36.84 1dgn h ILE 58 CO -0.19 0.31 -0.28 -0.78 -1.08 0.00 0.00 178.15 176.13 1dgn h ASP 59 N 0.68 -0.66 -0.62 2.19 1.82 -1.21 -2.88 116.42 115.74 1dgn h ASP 59 Ca 0.14 -0.03 0.13 0.00 -0.39 0.00 0.00 57.03 56.88 1dgn h ASP 59 Cb 0.37 0.17 -0.11 0.00 0.68 0.00 0.00 39.33 40.44 1dgn h ASP 59 CO 0.01 -0.37 -0.07 -0.07 -1.61 0.00 0.00 179.24 177.12 1dgn h LEU 60 N -0.93 -0.42 0.12 2.28 3.38 -1.16 -1.39 115.31 117.19 1dgn h LEU 60 Ca -0.08 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1dgn h LEU 60 Cb 0.65 0.33 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 1dgn h LEU 60 CO 0.13 -0.16 -0.52 0.58 0.09 0.00 0.00 178.44 178.56 1dgn h VAL 61 N 0.06 0.02 0.00 1.22 2.07 -1.50 0.86 116.25 118.97 1dgn h VAL 61 Ca 0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1dgn h VAL 61 Cb 0.50 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1dgn h VAL 61 CO -0.58 0.00 0.09 0.74 0.02 0.00 0.00 177.57 177.84 1dgn h THR 62 N -0.75 0.00 0.04 2.57 2.02 -1.18 -1.20 112.91 114.40 1dgn h THR 62 Ca -0.00 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.93 1dgn h THR 62 Cb 0.76 0.75 0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1dgn h THR 62 CO -0.28 0.00 -1.03 1.23 0.37 0.00 0.00 175.52 175.80 1dgn h GLY 63 N 0.00 0.48 -2.13 2.16 0.00 0.23 -3.23 103.07 100.58 1dgn h GLY 63 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.42 1dgn h GLY 63 CO 0.00 0.80 0.00 0.28 0.00 0.00 0.00 176.54 177.62 1dgn n LYS 64 N -3.72 1.00 0.00 4.80 4.76 -0.45 -4.95 118.16 119.60 1dgn n LYS 64 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1dgn n LYS 64 Cb 0.89 -1.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.07 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 0.63 -1.57 0.15 0.72 0.00 -1.22 -4.47 105.19 99.43 1dgn n GLY 65 Ca 0.00 -1.56 0.13 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.06 1.61 0.13 -1.88 -3.16 132.00 128.65 1dgn h PRO 66 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 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 0.09 -0.22 -0.23 0.00 0.00 178.00 177.64 1dgn h LYS 67 N 0.00 0.00 0.16 0.86 3.64 -1.95 -0.61 116.57 118.67 1dgn h LYS 67 Ca 0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1dgn h LYS 67 Cb 0.64 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1dgn h LYS 67 CO 0.00 0.00 -1.29 1.03 -2.27 0.00 0.00 179.45 176.92 1dgn h SER 68 N 0.00 0.62 -0.80 4.20 0.87 -1.77 -3.32 113.55 113.35 1dgn h SER 68 Ca 0.03 -0.63 0.19 0.00 -1.23 0.00 0.00 61.79 60.14 1dgn h SER 68 Cb 0.20 -0.20 -0.13 0.00 -0.44 0.00 0.00 62.40 61.84 1dgn h SER 68 CO -0.00 1.48 0.14 0.00 -0.53 0.00 0.00 176.83 177.92 1dgn h LYS 71 N -0.82 0.55 0.30 0.00 1.57 -1.49 -2.61 116.57 114.07 1dgn h LYS 71 Ca -0.02 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1dgn h LYS 71 Cb 0.79 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1dgn h LYS 71 CO -0.22 0.38 -0.15 0.35 -0.57 0.00 0.00 179.45 179.25 1dgn h PHE 72 N 0.57 -0.38 -0.30 -1.35 3.04 -0.04 -0.70 116.94 117.78 1dgn h PHE 72 Ca 0.15 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.15 1dgn h PHE 72 Cb -0.04 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 1dgn h PHE 72 CO 0.00 -0.17 0.21 0.82 -2.02 0.00 0.00 178.31 177.15 1dgn h ILE 73 N -0.50 0.91 0.09 1.41 2.04 -0.71 -2.29 117.51 118.45 1dgn h ILE 73 Ca -0.04 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1dgn h ILE 73 Cb 0.38 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1dgn h ILE 73 CO 0.07 0.02 -0.04 0.11 0.00 0.00 0.00 178.15 178.31 1dgn h LYS 74 N 0.13 -0.11 -1.54 2.37 1.57 -1.11 -2.77 116.57 115.10 1dgn h LYS 74 Ca 0.14 0.01 0.45 0.00 -1.87 0.00 0.00 60.65 59.37 1dgn h LYS 74 Cb 0.38 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.65 1dgn h LYS 74 CO -0.02 -0.07 1.10 0.45 -0.57 0.00 0.00 179.45 180.34 1dgn h HIS 75 N -0.28 0.07 -0.04 -1.35 3.86 -1.09 1.22 115.15 117.54 1dgn h HIS 75 Ca -0.01 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.00 1dgn h HIS 75 Cb 0.09 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 1dgn h HIS 75 CO 0.06 -0.02 -0.81 1.25 0.86 0.00 0.00 177.93 179.27 1dgn h LEU 76 N 0.02 0.48 -0.53 2.43 5.85 -1.47 -2.61 115.31 119.47 1dgn h LEU 76 Ca 0.75 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 59.17 1dgn h LEU 76 Cb 2.93 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 43.78 1dgn h LEU 76 CO -0.06 1.11 0.30 0.00 -0.34 0.00 0.00 178.44 179.45 1dgn h GLU 78 N 0.58 0.00 0.02 0.00 4.11 -1.58 -3.23 114.58 114.48 1dgn h GLU 78 Ca 0.23 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.41 1dgn h GLU 78 Cb 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1dgn h GLU 78 CO -0.13 0.54 -1.24 0.93 0.07 0.00 0.00 179.01 179.18 1dgn h GLU 79 N 0.00 0.05 -1.90 1.06 4.39 -1.05 -3.44 114.58 113.69 1dgn h GLU 79 Ca -0.01 -0.08 -0.24 0.00 0.34 0.00 0.00 59.36 59.37 1dgn h GLU 79 Cb 1.40 0.03 -0.30 0.00 -0.10 0.00 0.00 28.75 29.77 1dgn h GLU 79 CO 0.07 0.91 -0.57 0.34 -1.16 0.00 0.00 179.01 178.60 1dgn s ASP 80 N -6.62 0.88 0.05 1.42 -1.08 0.13 -4.92 116.67 106.53 1dgn s ASP 80 Ca -0.02 -0.47 0.28 0.00 -0.52 0.00 0.00 52.55 51.81 1dgn s ASP 80 Cb 0.09 0.87 1.00 0.00 -1.46 0.00 0.00 42.92 43.41 1dgn s ASP 80 CO 0.83 -0.36 1.79 -0.81 0.52 0.00 0.00 175.17 177.14 1dgn n PRO 81 N 5.34 0.07 0.04 4.34 -0.04 -1.22 -2.38 135.00 141.14 1dgn n PRO 81 Ca -0.01 0.05 -0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1dgn n PRO 81 Cb 0.48 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.14 -0.24 0.54 -0.00 -1.93 -3.23 115.11 110.10 1dgn h GLN 82 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 1dgn h GLN 82 Cb 0.56 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.07 1dgn h GLN 82 CO 0.00 -0.09 0.08 1.25 0.00 0.00 0.00 178.83 180.07 1dgn h LEU 83 N -0.60 0.34 -0.31 -2.39 5.85 -1.96 -1.68 115.31 114.56 1dgn h LEU 83 Ca -0.02 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1dgn h LEU 83 Cb 0.11 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1dgn h LEU 83 CO 0.02 0.44 0.31 0.00 -0.34 0.00 0.00 178.44 178.88 1dgn n ALA 84 N -2.27 0.50 -0.11 1.25 0.00 -1.00 -0.08 120.51 118.81 1dgn n ALA 84 Ca -0.03 0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 1dgn n ALA 84 Cb 0.14 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 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 0.50 -0.02 0.00 0.87 -1.32 2.17 113.55 115.75 1dgn h SER 85 Ca 0.00 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1dgn h SER 85 Cb 0.62 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1dgn h SER 85 CO 0.00 0.63 0.00 0.29 -0.53 0.00 0.00 176.83 177.22 1dgn n LYS 86 N -4.62 1.07 -0.09 2.24 5.02 0.89 -2.80 118.16 119.87 1dgn n LYS 86 Ca -0.02 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1dgn n LYS 86 Cb 0.22 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1dgn n LYS 86 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1dgn n MET 87 N -0.30 0.00 -0.98 1.97 2.81 -0.65 -4.91 117.12 115.06 1dgn n MET 87 Ca 0.01 -0.38 -0.21 0.00 -1.81 0.00 0.00 57.70 55.31 1dgn n MET 87 Cb 0.10 -0.32 0.06 0.00 -0.71 0.00 0.00 33.22 32.35 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 0.00 4.44 0.36 3.03 0.00 0.72 -4.71 105.19 109.03 1dgn n GLY 88 Ca 0.00 -1.31 0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 0.13 0.00 0.99 7.99 -1.26 -5.02 117.00 119.67 1dgn n LEU 89 Ca 0.40 0.95 0.00 0.00 -0.01 0.00 0.00 56.01 57.35 1dgn n LEU 89 Cb 0.74 -0.47 0.00 0.00 -0.11 0.00 0.00 43.42 43.58 1dgn n LEU 89 CO 0.49 -1.02 0.09 1.57 -1.51 0.00 0.00 177.39 177.00