#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 -0.44 0.00 -4.77 -1.26 -5.06 116.67 103.95 1dgn s ASP 3 Ca 0.00 -0.27 0.07 0.00 -3.30 0.00 0.00 52.55 49.05 1dgn s ASP 3 Cb 0.00 1.61 0.31 0.00 -1.09 0.00 0.00 42.92 43.75 1dgn s ASP 3 CO 0.00 -0.17 0.98 0.00 0.70 0.00 0.00 175.17 176.68 1dgn n GLN 4 N 4.67 0.96 0.18 2.11 6.02 -1.26 -4.99 117.38 125.07 1dgn n GLN 4 Ca 0.08 -2.29 -0.14 0.00 -0.01 0.00 0.00 57.00 54.64 1dgn n GLN 4 Cb 0.57 -1.25 -0.08 0.00 1.02 0.00 0.00 30.24 30.51 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 3.17 -0.34 0.14 1.08 6.46 -2.00 -2.93 115.31 120.90 1dgn h LEU 5 Ca -0.05 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1dgn h LEU 5 Cb 1.05 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 41.04 1dgn h LEU 5 CO 0.25 -0.16 -0.37 -0.07 -0.62 0.00 0.00 178.44 177.47 1dgn h LEU 6 N -0.49 -1.09 -0.84 2.25 -0.00 -1.94 0.88 115.31 114.06 1dgn h LEU 6 Ca -0.04 0.11 0.10 0.00 -0.00 0.00 0.00 57.88 58.05 1dgn h LEU 6 Cb 0.37 0.40 -0.12 0.00 -0.00 0.00 0.00 40.66 41.31 1dgn h LEU 6 CO 0.07 -0.41 -0.42 -1.14 -0.00 0.00 0.00 178.44 176.53 1dgn n ARG 7 N -4.56 -0.30 0.05 1.13 0.00 -1.23 0.26 116.66 112.01 1dgn n ARG 7 Ca -0.06 1.28 -0.13 0.00 -0.00 0.00 0.00 57.85 58.94 1dgn n ARG 7 Cb 0.30 -1.90 -0.08 0.00 0.00 0.00 0.00 32.46 30.78 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 -0.07 -0.49 -0.14 1.57 -1.31 -2.41 116.57 113.72 1dgn h LYS 8 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1dgn h LYS 8 Cb 0.41 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1dgn h LYS 8 CO -0.81 0.09 0.00 1.63 -0.57 0.00 0.00 179.45 179.79 1dgn n LYS 9 N -5.05 1.28 -0.27 3.15 4.76 0.28 -4.01 118.16 118.31 1dgn n LYS 9 Ca -0.08 -0.30 -0.02 0.00 -2.87 0.00 0.00 58.31 55.05 1dgn n LYS 9 Cb 0.12 -1.30 0.17 0.00 -1.84 0.00 0.00 35.03 32.17 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 0.43 1.10 0.00 1.97 9.65 0.41 -1.26 114.38 126.69 1dgn h ARG 10 Ca 0.00 -0.10 -0.11 0.00 -1.10 0.00 0.00 59.98 58.66 1dgn h ARG 10 Cb 0.36 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 1dgn h ARG 10 CO 0.02 0.78 -0.54 0.07 2.80 0.00 0.00 179.97 183.11 1dgn h ARG 11 N 1.12 0.00 0.00 0.20 0.11 -1.79 -2.96 114.38 111.06 1dgn h ARG 11 Ca 0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.37 1dgn h ARG 11 Cb -0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.05 1dgn h ARG 11 CO -0.05 0.54 0.00 -0.89 0.10 0.00 0.00 179.97 179.67 1dgn n ILE 12 N -3.49 0.00 -0.22 0.08 5.41 -0.78 -2.83 119.36 117.53 1dgn n ILE 12 Ca 0.00 0.60 -0.01 0.00 1.00 0.00 0.00 62.75 64.33 1dgn n ILE 12 Cb 0.64 -1.44 0.05 0.00 -0.71 0.00 0.00 39.64 38.19 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 -0.49 -0.32 1.39 3.57 -1.42 -1.04 116.94 118.63 1dgn h PHE 13 Ca 0.00 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.63 1dgn h PHE 13 Cb 0.00 0.31 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 1dgn h PHE 13 CO 0.04 -0.31 -0.07 0.97 -2.23 0.00 0.00 178.31 176.70 1dgn h ILE 14 N -0.04 0.68 -1.21 1.41 2.10 -1.70 0.95 117.51 119.70 1dgn h ILE 14 Ca 0.30 -0.00 -0.59 0.00 1.08 0.00 0.00 64.86 65.65 1dgn h ILE 14 Cb 0.50 0.67 -0.18 0.00 -1.09 0.00 0.00 36.82 36.73 1dgn h ILE 14 CO -0.68 0.00 0.91 1.41 -1.08 0.00 0.00 178.15 178.72 1dgn n HIS 15 N -5.25 1.97 0.05 2.19 8.25 -0.41 -4.24 115.22 117.78 1dgn n HIS 15 Ca 0.01 -2.19 0.00 0.00 -0.26 0.00 0.00 57.72 55.28 1dgn n HIS 15 Cb 0.18 -1.46 0.00 0.00 1.12 0.00 0.00 29.99 29.84 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 0.90 -0.88 -4.67 0.41 7.64 -0.97 -4.89 113.62 111.15 1dgn n SER 16 Ca 0.52 0.26 -0.64 0.00 1.01 0.00 0.00 58.87 60.02 1dgn n SER 16 Cb 0.45 1.08 -0.09 0.00 -1.01 0.00 0.00 64.21 64.63 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 -2.63 0.02 -3.00 0.44 3.14 0.29 -4.89 118.33 111.70 1dgn n VAL 17 Ca 0.00 -0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.00 1dgn n VAL 17 Cb 0.00 -0.43 -0.06 0.00 -1.06 0.00 0.00 33.84 32.29 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 2.14 2.79 0.65 7.55 0.00 -1.26 -4.90 107.32 114.29 1dgn s GLY 18 Ca 1.00 0.31 0.07 0.00 0.00 0.00 0.00 44.72 46.09 1dgn s GLY 18 CO 0.73 0.75 1.13 0.00 0.00 0.00 0.00 173.10 175.71 1dgn h ALA 19 N 3.84 2.09 0.14 3.20 0.00 -1.99 0.36 119.26 126.90 1dgn h ALA 19 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1dgn h ALA 19 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1dgn h ALA 19 CO 0.66 -1.05 -0.07 0.78 0.00 0.00 0.00 179.25 179.56 1dgn h GLY 20 N 0.00 -0.20 0.29 0.00 0.00 -2.00 -3.32 103.07 97.84 1dgn h GLY 20 Ca 0.08 0.07 0.23 0.00 0.00 0.00 0.00 47.33 47.71 1dgn h GLY 20 CO -0.00 -0.07 0.61 -0.84 0.00 0.00 0.00 176.54 176.23 1dgn h THR 21 N -1.04 0.61 -0.39 4.70 2.02 -1.30 -1.16 112.91 116.35 1dgn h THR 21 Ca -0.02 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.16 1dgn h THR 21 Cb 0.15 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1dgn h THR 21 CO 0.03 0.03 0.14 0.40 0.37 0.00 0.00 175.52 176.48 1dgn h ILE 22 N 0.14 0.88 -0.50 3.11 2.04 -1.59 0.61 117.51 122.20 1dgn h ILE 22 Ca 0.43 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 66.12 1dgn h ILE 22 Cb 1.47 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1dgn h ILE 22 CO -0.07 0.05 0.02 0.78 0.00 0.00 0.00 178.15 178.93 1dgn h ASN 23 N 0.29 0.79 1.10 1.72 2.35 -1.31 -1.45 115.58 119.07 1dgn h ASN 23 Ca 0.18 -0.19 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 1dgn h ASN 23 Cb 0.16 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1dgn h ASN 23 CO -0.19 0.84 -0.65 0.00 -1.65 0.00 0.00 177.43 175.78 1dgn h ALA 24 N 1.25 0.67 0.20 -0.83 0.00 -1.29 -2.89 119.26 116.37 1dgn h ALA 24 Ca 0.15 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1dgn h ALA 24 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1dgn h ALA 24 CO 0.02 0.81 -0.10 1.25 0.00 0.00 0.00 179.25 181.23 1dgn h LEU 25 N 0.00 -0.23 -1.71 0.00 7.12 0.52 -2.96 115.31 118.05 1dgn h LEU 25 Ca -0.01 -0.13 0.02 0.00 0.13 0.00 0.00 57.88 57.89 1dgn h LEU 25 Cb 1.38 0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 41.55 1dgn h LEU 25 CO 0.08 0.28 0.22 0.17 -0.13 0.00 0.00 178.44 179.07 1dgn h LEU 26 N -1.03 0.33 -0.71 2.25 8.10 -1.41 -1.49 115.31 121.35 1dgn h LEU 26 Ca -0.03 -0.01 -0.03 0.00 0.11 0.00 0.00 57.88 57.93 1dgn h LEU 26 Cb 0.34 -0.08 -0.03 0.00 -0.44 0.00 0.00 40.66 40.45 1dgn h LEU 26 CO 0.05 0.24 0.34 -0.78 -4.11 0.00 0.00 178.44 174.17 1dgn h ASP 27 N 0.39 0.93 -0.43 0.17 3.58 -1.60 -2.78 116.42 116.68 1dgn h ASP 27 Ca 0.13 -0.13 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1dgn h ASP 27 Cb 0.05 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 1dgn h ASP 27 CO -0.03 0.80 0.03 0.00 -2.88 0.00 0.00 179.24 177.16 1dgn h LEU 29 N 0.59 -0.28 -0.60 0.00 3.38 -1.15 0.66 115.31 117.92 1dgn h LEU 29 Ca 0.13 0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.30 1dgn h LEU 29 Cb 0.44 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1dgn h LEU 29 CO 0.02 -0.13 0.34 -0.07 0.09 0.00 0.00 178.44 178.69 1dgn h LEU 30 N 0.12 0.53 -1.00 1.67 3.38 -1.40 -1.46 115.31 117.15 1dgn h LEU 30 Ca 0.35 0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.63 1dgn h LEU 30 Cb 0.58 -0.09 -0.14 0.00 0.09 0.00 0.00 40.66 41.10 1dgn h LEU 30 CO -0.56 0.36 0.57 -0.08 0.09 0.00 0.00 178.44 178.81 1dgn h GLU 31 N 0.66 0.41 0.00 1.13 4.57 -0.77 1.39 114.58 121.96 1dgn h GLU 31 Ca 0.26 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1dgn h GLU 31 Cb 0.11 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1dgn h GLU 31 CO -0.14 0.27 -0.18 -0.44 -1.18 0.00 0.00 179.01 177.33 1dgn h ASP 32 N 0.42 0.00 -2.78 1.04 3.32 -1.09 -3.47 116.42 113.85 1dgn h ASP 32 Ca 0.69 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.49 1dgn h ASP 32 Cb 1.48 0.00 0.03 0.00 0.22 0.00 0.00 39.33 41.06 1dgn h ASP 32 CO -0.56 0.09 -0.37 -0.62 -1.72 0.00 0.00 179.24 176.06 1dgn n GLU 33 N -3.08 -2.71 0.06 3.56 1.02 0.47 -4.93 120.64 115.03 1dgn n GLU 33 Ca 0.03 0.59 -0.17 0.00 -0.02 0.00 0.00 57.16 57.59 1dgn n GLU 33 Cb 0.57 -4.77 -0.08 0.00 -0.02 0.00 0.00 31.44 27.14 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 -0.71 1.34 -2.72 2.62 3.04 -1.79 -3.46 116.25 114.57 1dgn h VAL 34 Ca -0.33 -2.39 0.00 0.00 -1.01 0.00 0.00 66.70 62.96 1dgn h VAL 34 Cb 1.23 2.46 0.00 0.00 -2.01 0.00 0.00 31.29 32.97 1dgn h VAL 34 CO 0.36 0.73 0.00 2.30 -1.01 0.00 0.00 177.57 179.95 1dgn n ILE 35 N -3.78 0.00 -3.91 3.17 -5.35 -1.26 -5.02 119.36 103.21 1dgn n ILE 35 Ca -0.09 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.30 1dgn n ILE 35 Cb 0.88 -1.57 -0.09 0.00 -1.74 0.00 0.00 39.64 37.13 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 0.17 0.58 7.28 0.01 -1.26 -5.01 113.70 114.47 1dgn s SER 36 Ca 0.00 -0.58 0.38 0.00 1.31 0.00 0.00 55.95 57.06 1dgn s SER 36 Cb 0.00 0.27 1.41 0.00 0.21 0.00 0.00 66.02 67.91 1dgn s SER 36 CO 0.00 -0.59 1.55 -0.61 0.41 0.00 0.00 173.24 174.00 1dgn h GLN 37 N 3.32 0.00 0.25 12.44 -0.00 -2.00 0.44 115.11 129.55 1dgn h GLN 37 Ca -0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.31 1dgn h GLN 37 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.67 1dgn h GLN 37 CO 0.53 0.00 -0.12 0.93 0.00 0.00 0.00 178.83 180.17 1dgn h GLU 38 N 0.00 -0.32 -0.14 1.69 3.07 -2.00 -2.85 114.58 114.03 1dgn h GLU 38 Ca 0.66 0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.52 1dgn h GLU 38 Cb 3.02 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 31.00 1dgn h GLU 38 CO -0.01 0.04 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.17 1dgn h ASP 39 N -0.80 0.26 -1.12 1.42 5.19 -0.68 -2.84 116.42 117.86 1dgn h ASP 39 Ca -0.03 -0.36 0.32 0.00 -0.62 0.00 0.00 57.03 56.34 1dgn h ASP 39 Cb 0.51 -0.07 -0.11 0.00 0.18 0.00 0.00 39.33 39.84 1dgn h ASP 39 CO 0.06 0.56 0.71 -0.03 -3.12 0.00 0.00 179.24 177.42 1dgn h MET 40 N -0.03 0.29 -0.30 3.56 1.85 -0.87 0.79 114.93 120.22 1dgn h MET 40 Ca 0.04 -0.02 -0.15 0.00 -0.61 0.00 0.00 59.70 58.96 1dgn h MET 40 Cb 0.44 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.39 1dgn h MET 40 CO 0.01 0.19 -0.42 -0.91 -0.40 0.00 0.00 176.91 175.39 1dgn h ASN 41 N 0.30 0.80 -0.53 1.39 -0.26 -1.27 -2.35 115.58 113.66 1dgn h ASN 41 Ca 0.67 -0.37 0.10 0.00 -0.56 0.00 0.00 56.30 56.15 1dgn h ASN 41 Cb 1.83 -0.23 -0.09 0.00 -1.06 0.00 0.00 38.32 38.78 1dgn h ASN 41 CO -0.36 1.11 0.02 0.50 -1.06 0.00 0.00 177.43 177.64 1dgn h LYS 42 N 0.61 0.14 0.07 0.81 3.11 0.78 0.31 116.57 122.39 1dgn h LYS 42 Ca 0.05 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1dgn h LYS 42 Cb 0.97 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.17 1dgn h LYS 42 CO 0.09 0.09 -0.03 0.28 -2.81 0.00 0.00 179.45 177.07 1dgn h VAL 43 N 0.14 1.22 -0.07 2.00 2.07 -1.49 -3.07 116.25 117.05 1dgn h VAL 43 Ca 0.27 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.63 1dgn h VAL 43 Cb 0.41 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1dgn h VAL 43 CO -0.43 0.29 0.24 -0.09 0.02 0.00 0.00 177.57 177.60 1dgn h ARG 44 N -0.65 0.00 -0.17 1.57 9.65 -1.06 -0.31 114.38 123.41 1dgn h ARG 44 Ca -0.01 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.92 1dgn h ARG 44 Cb 0.54 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1dgn h ARG 44 CO 0.02 0.00 0.26 0.22 2.80 0.00 0.00 179.97 183.27 1dgn h ASP 45 N 0.00 0.00 -5.63 -3.80 3.58 -0.29 -3.47 116.42 106.82 1dgn h ASP 45 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1dgn h ASP 45 Cb 0.52 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 1dgn h ASP 45 CO -0.00 0.00 -1.00 -0.62 -2.88 0.00 0.00 179.24 174.74 1dgn n GLU 46 N -3.49 -2.26 0.05 0.28 -0.58 -0.13 -4.97 120.64 109.53 1dgn n GLU 46 Ca 0.02 2.02 -0.03 0.00 -0.42 0.00 0.00 57.16 58.75 1dgn n GLU 46 Cb 0.38 -3.63 -0.01 0.00 -0.57 0.00 0.00 31.44 27.60 1dgn n GLU 46 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1dgn h ASN 47 N 3.32 -0.15 0.00 1.62 2.35 -1.88 -3.51 115.58 117.34 1dgn h ASN 47 Ca -0.01 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1dgn h ASN 47 Cb 0.41 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1dgn h ASN 47 CO 0.06 0.12 0.00 -0.67 -1.65 0.00 0.00 177.43 175.29 1dgn n ASP 48 N -3.70 4.21 -4.05 5.81 2.03 -1.26 -5.07 116.55 114.52 1dgn n ASP 48 Ca -0.02 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.00 1dgn n ASP 48 Cb 0.07 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 40.65 1dgn n ASP 48 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1dgn n THR 49 N 0.00 0.00 -0.32 5.18 5.66 -1.26 -4.45 114.28 119.09 1dgn n THR 49 Ca 0.00 -0.23 0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1dgn n THR 49 Cb 0.00 -0.62 0.33 0.00 -1.55 0.00 0.00 70.33 68.49 1dgn n THR 49 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1dgn h VAL 50 N -2.37 0.81 -1.00 1.08 2.07 -1.97 -0.90 116.25 113.97 1dgn h VAL 50 Ca -0.46 -0.27 0.29 0.00 0.82 0.00 0.00 66.70 67.08 1dgn h VAL 50 Cb 1.22 -0.04 -0.14 0.00 -1.52 0.00 0.00 31.29 30.80 1dgn h VAL 50 CO 0.32 0.14 0.57 0.24 0.02 0.00 0.00 177.57 178.87 1dgn h MET 51 N 0.79 0.40 0.03 1.57 2.86 -1.88 0.27 114.93 118.97 1dgn h MET 51 Ca 0.50 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 58.06 1dgn h MET 51 Cb 0.74 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1dgn h MET 51 CO -0.27 0.26 -0.30 -0.44 1.06 0.00 0.00 176.91 177.22 1dgn h ASP 52 N 0.41 0.10 -0.76 1.22 5.19 -1.45 -2.51 116.42 118.62 1dgn h ASP 52 Ca 0.70 -0.95 0.15 0.00 -0.62 0.00 0.00 57.03 56.31 1dgn h ASP 52 Cb 1.51 -0.03 -0.05 0.00 0.18 0.00 0.00 39.33 40.93 1dgn h ASP 52 CO -0.56 1.13 0.51 0.11 -3.12 0.00 0.00 179.24 177.31 1dgn h LYS 53 N -0.86 0.40 0.00 3.56 1.57 -0.90 -2.45 116.57 117.90 1dgn h LYS 53 Ca -0.06 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1dgn h LYS 53 Cb 1.17 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1dgn h LYS 53 CO 0.02 0.27 -0.00 0.00 -0.57 0.00 0.00 179.45 179.16 1dgn h ALA 54 N 1.64 -0.00 -0.93 3.86 0.00 -0.62 -2.68 119.26 120.54 1dgn h ALA 54 Ca 0.37 -0.43 0.26 0.00 0.00 0.00 0.00 54.91 55.12 1dgn h ALA 54 Cb 0.86 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.49 1dgn h ALA 54 CO -0.12 -0.01 0.15 -0.09 0.00 0.00 0.00 179.25 179.18 1dgn h ARG 55 N -0.99 0.09 0.03 0.00 2.43 -1.03 0.38 114.38 115.29 1dgn h ARG 55 Ca -0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1dgn h ARG 55 Cb 0.86 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1dgn h ARG 55 CO 0.00 0.06 -0.02 -0.39 -1.51 0.00 0.00 179.97 178.11 1dgn h VAL 56 N 0.09 1.39 -0.61 0.20 -1.51 -1.58 -2.66 116.25 111.58 1dgn h VAL 56 Ca 0.58 -1.68 0.12 0.00 -1.23 0.00 0.00 66.70 64.49 1dgn h VAL 56 Cb 1.23 2.46 -0.12 0.00 -2.13 0.00 0.00 31.29 32.73 1dgn h VAL 56 CO -0.79 0.41 -0.19 0.25 -1.23 0.00 0.00 177.57 176.02 1dgn h LEU 57 N -0.82 -0.68 -1.08 4.19 5.85 -0.85 0.30 115.31 122.22 1dgn h LEU 57 Ca -0.00 0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 1dgn h LEU 57 Cb 0.70 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1dgn h LEU 57 CO 0.01 -0.23 -0.37 -0.29 -0.34 0.00 0.00 178.44 177.22 1dgn h ILE 58 N -0.04 0.95 -0.17 4.05 2.10 -1.10 -3.05 117.51 120.25 1dgn h ILE 58 Ca 0.29 -1.42 -0.16 0.00 1.08 0.00 0.00 64.86 64.64 1dgn h ILE 58 Cb 0.48 1.85 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 1dgn h ILE 58 CO -0.65 0.36 -0.52 -0.78 -1.08 0.00 0.00 178.15 175.48 1dgn h ASP 59 N 0.00 0.76 -0.12 2.19 1.82 -0.19 -3.12 116.42 117.75 1dgn h ASP 59 Ca -0.00 -0.59 0.00 0.00 -0.39 0.00 0.00 57.03 56.05 1dgn h ASP 59 Cb 0.82 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 1dgn h ASP 59 CO 0.05 1.22 0.08 -0.07 -1.61 0.00 0.00 179.24 178.90 1dgn h LEU 60 N 0.34 0.13 0.07 2.28 3.38 -0.56 -2.20 115.31 118.75 1dgn h LEU 60 Ca -0.02 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1dgn h LEU 60 Cb 1.14 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 1dgn h LEU 60 CO 0.11 0.09 -0.52 0.58 0.09 0.00 0.00 178.44 178.79 1dgn h VAL 61 N 0.16 0.02 -0.53 1.22 2.07 -1.59 -2.23 116.25 115.36 1dgn h VAL 61 Ca 0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.67 1dgn h VAL 61 Cb -0.01 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 29.68 1dgn h VAL 61 CO -0.02 0.00 -0.07 0.74 0.02 0.00 0.00 177.57 178.25 1dgn h THR 62 N -0.71 0.52 -1.01 2.57 2.02 -1.48 -0.49 112.91 114.33 1dgn h THR 62 Ca 0.01 -0.02 0.28 0.00 0.77 0.00 0.00 66.41 67.45 1dgn h THR 62 Cb 0.74 0.47 -0.13 0.00 -1.74 0.00 0.00 68.15 67.48 1dgn h THR 62 CO -0.32 0.01 0.59 1.23 0.37 0.00 0.00 175.52 177.41 1dgn h GLY 63 N 0.05 1.95 -1.83 2.16 0.00 -0.80 0.45 103.07 105.05 1dgn h GLY 63 Ca 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1dgn h GLY 63 CO -0.50 -0.35 0.00 0.28 0.00 0.00 0.00 176.54 175.98 1dgn n LYS 64 N -4.94 0.81 -0.19 4.80 4.76 -0.19 -4.94 118.16 118.26 1dgn n LYS 64 Ca 0.29 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.76 1dgn n LYS 64 Cb 0.86 -1.15 -0.01 0.00 -1.84 0.00 0.00 35.03 32.89 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 0.51 -2.09 0.10 0.72 0.00 0.16 -4.33 105.19 100.26 1dgn n GLY 65 Ca 0.00 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.71 0.19 0.25 1.61 -0.04 -1.26 -3.15 135.00 129.89 1dgn n PRO 66 Ca -0.01 0.28 0.14 0.00 -0.04 0.00 0.00 63.50 63.88 1dgn n PRO 66 Cb 0.09 -1.78 0.83 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.23 116.57 119.05 1dgn h LYS 67 Ca 0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1dgn h LYS 67 Cb 0.53 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1dgn h LYS 67 CO 0.00 0.00 -0.77 1.03 -2.27 0.00 0.00 179.45 177.44 1dgn h SER 68 N 0.00 0.00 -0.75 4.20 0.87 -1.74 -3.31 113.55 112.83 1dgn h SER 68 Ca 0.03 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.73 1dgn h SER 68 Cb 0.17 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.04 1dgn h SER 68 CO -0.00 0.77 0.32 0.00 -0.53 0.00 0.00 176.83 177.39 1dgn h LYS 71 N -0.51 0.00 -0.32 0.00 1.57 -1.62 -1.75 116.57 113.94 1dgn h LYS 71 Ca 0.07 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 1dgn h LYS 71 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1dgn h LYS 71 CO -0.36 0.16 -0.30 0.35 -0.57 0.00 0.00 179.45 178.74 1dgn h PHE 72 N 0.00 0.92 -0.31 -1.35 3.04 0.18 -0.37 116.94 119.05 1dgn h PHE 72 Ca -0.00 -0.27 -0.18 0.00 3.98 0.00 0.00 57.97 61.50 1dgn h PHE 72 Cb 0.32 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 1dgn h PHE 72 CO 0.00 1.04 -0.50 0.82 -2.02 0.00 0.00 178.31 177.65 1dgn h ILE 73 N 0.54 1.28 -0.15 1.41 2.04 -0.41 -2.00 117.51 120.21 1dgn h ILE 73 Ca 0.05 -1.68 -0.04 0.00 1.00 0.00 0.00 64.86 64.19 1dgn h ILE 73 Cb 0.87 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1dgn h ILE 73 CO 0.08 0.55 -0.08 0.11 0.00 0.00 0.00 178.15 178.81 1dgn h LYS 74 N 0.68 0.32 0.72 2.37 1.57 -1.32 -2.99 116.57 117.92 1dgn h LYS 74 Ca 0.03 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1dgn h LYS 74 Cb 1.10 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.41 1dgn h LYS 74 CO 0.11 0.65 -0.34 0.45 -0.57 0.00 0.00 179.45 179.74 1dgn h HIS 75 N -0.01 -0.89 -0.98 -1.35 3.86 -1.10 -2.88 115.15 111.80 1dgn h HIS 75 Ca 0.03 -0.02 0.41 0.00 -1.16 0.00 0.00 60.37 59.63 1dgn h HIS 75 Cb 0.55 0.30 -0.18 0.00 1.06 0.00 0.00 27.41 29.14 1dgn h HIS 75 CO 0.07 -0.56 0.53 -0.11 0.86 0.00 0.00 177.93 178.72 1dgn n LEU 76 N -4.62 0.34 0.08 2.43 7.94 -0.75 -0.60 117.00 121.82 1dgn n LEU 76 Ca -0.12 1.62 -0.13 0.00 -1.11 0.00 0.00 56.01 56.27 1dgn n LEU 76 Cb 0.38 -0.79 -0.07 0.00 0.53 0.00 0.00 43.42 43.47 1dgn n LEU 76 CO 0.29 -1.81 0.82 0.00 -1.11 0.00 0.00 177.39 175.57 1dgn n GLU 78 N -5.12 0.08 -0.07 0.00 0.28 0.23 -2.89 120.64 113.15 1dgn n GLU 78 Ca -0.08 0.35 -0.09 0.00 -0.16 0.00 0.00 57.16 57.17 1dgn n GLU 78 Cb 0.09 -1.66 -0.08 0.00 1.43 0.00 0.00 31.44 31.23 1dgn n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1dgn n GLU 79 N -1.80 0.87 -3.37 3.44 0.28 -1.06 -4.85 120.64 114.14 1dgn n GLU 79 Ca 0.03 0.06 -0.26 0.00 -0.16 0.00 0.00 57.16 56.83 1dgn n GLU 79 Cb 0.17 -1.31 -0.09 0.00 1.43 0.00 0.00 31.44 31.64 1dgn n GLU 79 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1dgn n ASP 80 N -2.81 0.86 0.13 -1.84 -0.08 0.84 -4.96 116.55 108.69 1dgn n ASP 80 Ca -0.25 -2.77 0.19 0.00 -1.51 0.00 0.00 54.79 50.44 1dgn n ASP 80 Cb 0.83 -0.63 0.77 0.00 2.34 0.00 0.00 41.12 44.43 1dgn n ASP 80 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1dgn h PRO 81 N 4.69 0.00 0.00 -0.67 0.11 -1.71 -0.38 132.00 134.04 1dgn h PRO 81 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1dgn h PRO 81 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1dgn h PRO 81 CO 0.52 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 179.25 1dgn n GLN 82 N -3.86 0.00 -0.16 1.05 0.00 -1.26 -3.38 117.38 109.77 1dgn n GLN 82 Ca 0.05 0.23 0.18 0.00 -0.00 0.00 0.00 57.00 57.46 1dgn n GLN 82 Cb 0.49 -1.01 0.55 0.00 0.00 0.00 0.00 30.24 30.28 1dgn n GLN 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1dgn h LEU 83 N 0.00 0.30 -0.08 1.69 5.85 -1.95 0.25 115.31 121.37 1dgn h LEU 83 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1dgn h LEU 83 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1dgn h LEU 83 CO 0.00 0.14 0.03 0.00 -0.34 0.00 0.00 178.44 178.27 1dgn n ALA 84 N -2.56 0.95 -0.08 1.25 0.00 -0.16 -1.85 120.51 118.07 1dgn n ALA 84 Ca 0.15 0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 1dgn n ALA 84 Cb 0.62 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 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 0.38 -0.04 0.00 0.87 -0.51 1.60 113.55 115.85 1dgn h SER 85 Ca 0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1dgn h SER 85 Cb 0.05 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1dgn h SER 85 CO 0.00 0.51 0.00 0.29 -0.53 0.00 0.00 176.83 177.10 1dgn n LYS 86 N -4.72 1.43 -1.76 2.24 5.02 -0.77 -3.65 118.16 115.95 1dgn n LYS 86 Ca -0.03 -0.64 0.03 0.00 -2.02 0.00 0.00 58.31 55.65 1dgn n LYS 86 Cb 0.18 -1.44 0.03 0.00 -0.02 0.00 0.00 35.03 33.77 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 -0.20 0.40 -2.89 1.97 2.81 -0.87 -4.92 117.12 113.42 1dgn n MET 87 Ca 0.19 -2.34 -0.12 0.00 -1.81 0.00 0.00 57.70 53.62 1dgn n MET 87 Cb 0.25 -0.37 0.04 0.00 -0.71 0.00 0.00 33.22 32.44 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 0.24 1.50 0.39 3.03 0.00 0.54 -4.82 105.19 106.06 1dgn n GLY 88 Ca 0.07 -0.54 0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 0.58 0.12 0.00 0.99 7.99 -1.26 -4.83 117.00 120.59 1dgn n LEU 89 Ca 0.13 0.96 0.11 0.00 -0.01 0.00 0.00 56.01 57.20 1dgn n LEU 89 Cb 0.67 -0.47 0.68 0.00 -0.11 0.00 0.00 43.42 44.19 1dgn n LEU 89 CO 0.10 -1.03 0.86 1.41 -1.51 0.00 0.00 177.39 177.22