#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1df5 n GLY 2 N 0.00 2.05 2.01 0.23 0.00 -1.26 -5.13 105.19 103.09 1df5 n GLY 2 Ca 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 46.02 46.35 1df5 n GLY 2 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1df5 n ILE 3 N 0.00-10.25 0.00 -0.61 5.41 -1.26 -5.04 119.36 107.60 1df5 n ILE 3 Ca 0.00 2.25 0.00 0.00 1.00 0.00 0.00 62.75 66.00 1df5 n ILE 3 Cb 0.00 -5.31 0.00 0.00 -0.71 0.00 0.00 39.64 33.62 1df5 n ILE 3 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1df5 n VAL 4 N 1.31 0.00 -0.19 1.39 0.24 -1.26 -4.61 118.33 115.20 1df5 n VAL 4 Ca -0.04 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.16 1df5 n VAL 4 Cb 0.07 -0.57 0.01 0.00 -1.47 0.00 0.00 33.84 31.88 1df5 n VAL 4 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1df5 h GLN 5 N 0.00 1.02 0.00 7.34 5.75 -1.98 -0.86 115.11 126.38 1df5 h GLN 5 Ca 0.00 -0.37 -0.05 0.00 -0.15 0.00 0.00 58.65 58.08 1df5 h GLN 5 Cb 0.66 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 1df5 h GLN 5 CO 0.00 1.06 -0.25 0.37 -2.65 0.00 0.00 178.83 177.36 1df5 h GLN 6 N 0.90 0.00 0.00 1.69 5.75 -1.98 0.14 115.11 121.61 1df5 h GLN 6 Ca 0.14 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.47 1df5 h GLN 6 Cb 0.66 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.18 1df5 h GLN 6 CO 0.05 0.25 -0.84 1.96 -2.65 0.00 0.00 178.83 177.60 1df5 h GLN 7 N 0.00 0.00 0.00 1.69 4.20 -1.70 -2.60 115.11 116.69 1df5 h GLN 7 Ca -0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 1df5 h GLN 7 Cb 0.49 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1df5 h GLN 7 CO 0.03 0.84 -1.09 -0.97 -0.67 0.00 0.00 178.83 176.97 1df5 h ASN 8 N 0.00 0.00 1.15 1.46 -0.73 -0.45 -2.37 115.58 114.63 1df5 h ASN 8 Ca -0.01 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.05 1df5 h ASN 8 Cb 1.61 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 40.18 1df5 h ASN 8 CO 0.11 0.88 -0.54 0.78 -0.37 0.00 0.00 177.43 178.30 1df5 h ASN 9 N 0.00 0.00 0.24 1.15 4.21 -0.77 -1.31 115.58 119.10 1df5 h ASN 9 Ca -0.08 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.11 1df5 h ASN 9 Cb 1.74 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 38.98 1df5 h ASN 9 CO 0.10 0.54 -1.44 -0.07 -1.29 0.00 0.00 177.43 175.27 1df5 h LEU 10 N 0.00 0.78 -0.57 1.61 4.07 -1.49 -3.06 115.31 116.65 1df5 h LEU 10 Ca -0.01 -0.93 -0.10 0.00 0.08 0.00 0.00 57.88 56.93 1df5 h LEU 10 Cb 1.25 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 1df5 h LEU 10 CO 0.07 1.69 -0.02 0.25 -1.08 0.00 0.00 178.44 179.35 1df5 h LEU 11 N 0.08 1.01 -2.29 1.67 5.85 -1.43 -1.76 115.31 118.44 1df5 h LEU 11 Ca -0.26 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 1df5 h LEU 11 Cb 2.10 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.86 1df5 h LEU 11 CO 0.25 1.08 -0.04 0.03 -0.34 0.00 0.00 178.44 179.43 1df5 h ARG 12 N 0.91 0.00 0.10 1.25 3.08 -1.31 -1.82 114.38 116.59 1df5 h ARG 12 Ca 0.16 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.03 1df5 h ARG 12 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.64 1df5 h ARG 12 CO 0.03 0.04 -0.85 0.00 -1.07 0.00 0.00 179.97 178.12 1df5 h ALA 13 N 1.96 0.02 -0.45 0.04 0.00 -1.26 -2.91 119.26 116.66 1df5 h ALA 13 Ca -0.00 -0.80 0.07 0.00 0.00 0.00 0.00 54.91 54.18 1df5 h ALA 13 Cb 0.21 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1df5 h ALA 13 CO 0.00 0.45 0.12 0.82 0.00 0.00 0.00 179.25 180.65 1df5 h ILE 14 N -0.51 0.81 0.30 0.00 2.04 -0.90 0.42 117.51 119.65 1df5 h ILE 14 Ca -0.17 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1df5 h ILE 14 Cb 1.53 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1df5 h ILE 14 CO 0.07 0.05 -0.34 -0.08 0.00 0.00 0.00 178.15 177.85 1df5 h GLU 15 N 0.27 -0.66 -0.97 2.37 4.81 -1.46 0.51 114.58 119.46 1df5 h GLU 15 Ca 0.22 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.56 1df5 h GLU 15 Cb 0.25 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.71 1df5 h GLU 15 CO -0.25 -0.44 0.62 0.00 -0.73 0.00 0.00 179.01 178.22 1df5 h ALA 16 N -0.17 1.47 -0.13 2.92 0.00 -1.25 0.93 119.26 123.02 1df5 h ALA 16 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1df5 h ALA 16 Cb 0.63 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1df5 h ALA 16 CO -0.09 0.38 -0.23 1.96 0.00 0.00 0.00 179.25 181.27 1df5 h GLN 17 N 1.09 0.23 -0.71 0.00 4.20 0.73 -1.49 115.11 119.17 1df5 h GLN 17 Ca 0.42 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 59.01 1df5 h GLN 17 Cb 0.22 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1df5 h GLN 17 CO -0.17 0.46 0.25 0.37 -0.67 0.00 0.00 178.83 179.07 1df5 h GLN 18 N 0.21 1.08 -0.30 1.46 5.75 0.25 -1.73 115.11 121.84 1df5 h GLN 18 Ca 0.04 -0.21 -0.04 0.00 -0.15 0.00 0.00 58.65 58.29 1df5 h GLN 18 Cb 0.53 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 1df5 h GLN 18 CO 0.04 0.91 0.05 0.45 -2.65 0.00 0.00 178.83 177.63 1df5 h HIS 19 N 1.03 0.53 -0.48 3.99 3.86 -0.56 -2.35 115.15 121.16 1df5 h HIS 19 Ca 0.23 -0.07 0.09 0.00 -1.16 0.00 0.00 60.37 59.46 1df5 h HIS 19 Cb 0.26 -0.14 -0.08 0.00 1.06 0.00 0.00 27.41 28.50 1df5 h HIS 19 CO 0.02 0.58 0.00 1.25 0.86 0.00 0.00 177.93 180.64 1df5 h LEU 20 N 0.32 -0.20 -0.67 2.43 5.85 -0.99 -1.94 115.31 120.11 1df5 h LEU 20 Ca 0.09 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1df5 h LEU 20 Cb 0.34 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1df5 h LEU 20 CO 0.01 -0.06 0.39 -0.07 -0.34 0.00 0.00 178.44 178.37 1df5 h LEU 21 N 0.12 0.81 -2.04 2.25 3.38 -1.17 -2.16 115.31 116.51 1df5 h LEU 21 Ca 0.24 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1df5 h LEU 21 Cb 0.36 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1df5 h LEU 21 CO -0.40 0.64 -0.09 1.56 0.09 0.00 0.00 178.44 180.24 1df5 h GLN 22 N 0.91 0.00 0.09 1.13 4.20 -0.82 0.57 115.11 121.18 1df5 h GLN 22 Ca 0.24 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.68 1df5 h GLN 22 Cb -0.01 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.78 1df5 h GLN 22 CO -0.04 0.09 -1.14 -0.07 -0.67 0.00 0.00 178.83 177.00 1df5 h LEU 23 N 0.00 0.59 -0.16 1.46 3.38 -0.87 -2.67 115.31 117.03 1df5 h LEU 23 Ca -0.00 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.37 1df5 h LEU 23 Cb 0.24 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1df5 h LEU 23 CO 0.01 1.38 -0.09 0.71 0.09 0.00 0.00 178.44 180.54 1df5 h THR 24 N 0.18 1.32 -0.97 0.22 1.35 -0.69 -0.75 112.91 113.56 1df5 h THR 24 Ca -0.13 -1.15 0.10 0.00 -0.55 0.00 0.00 66.41 64.67 1df5 h THR 24 Cb 1.82 1.73 -0.07 0.00 -1.73 0.00 0.00 68.15 69.89 1df5 h THR 24 CO 0.20 0.34 0.62 0.58 -0.25 0.00 0.00 175.52 177.02 1df5 h VAL 25 N 0.02 0.98 -0.12 6.82 2.07 -0.99 0.29 116.25 125.33 1df5 h VAL 25 Ca 0.04 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1df5 h VAL 25 Cb 0.57 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1df5 h VAL 25 CO 0.03 0.19 0.01 -0.25 0.02 0.00 0.00 177.57 177.56 1df5 h TRP 26 N 1.02 0.23 -0.83 1.57 7.01 -1.29 0.13 115.95 123.78 1df5 h TRP 26 Ca 0.46 -0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.47 1df5 h TRP 26 Cb 0.37 -0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.32 1df5 h TRP 26 CO -0.00 0.43 0.55 0.78 -2.79 0.00 0.00 178.44 177.41 1df5 h GLY 27 N -0.04 1.18 0.55 2.65 0.00 0.21 -1.05 103.07 106.57 1df5 h GLY 27 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1df5 h GLY 27 CO 0.00 0.32 -0.04 -2.22 0.00 0.00 0.00 176.54 174.60 1df5 h ILE 28 N 0.99 1.40 -0.01 2.60 2.04 -0.25 -2.96 117.51 121.32 1df5 h ILE 28 Ca 0.34 -1.25 0.03 0.00 1.00 0.00 0.00 64.86 64.98 1df5 h ILE 28 Cb 0.11 2.16 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 1df5 h ILE 28 CO -0.11 0.34 -0.26 0.11 0.00 0.00 0.00 178.15 178.22 1df5 h LYS 29 N -0.39 -0.38 -1.00 2.37 1.57 -0.32 -1.85 116.57 116.57 1df5 h LYS 29 Ca 0.00 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.94 1df5 h LYS 29 Cb 0.57 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.88 1df5 h LYS 29 CO 0.01 -0.26 0.63 0.37 -0.57 0.00 0.00 179.45 179.63 1df5 h GLN 30 N -0.40 0.93 -0.16 3.15 4.15 -1.29 0.84 115.11 122.34 1df5 h GLN 30 Ca 0.06 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 1df5 h GLN 30 Cb 0.49 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1df5 h GLN 30 CO -0.24 0.62 -0.19 -0.07 -1.93 0.00 0.00 178.83 177.03 1df5 h LEU 31 N 0.96 0.26 -0.07 -2.39 3.38 -1.23 -2.45 115.31 113.77 1df5 h LEU 31 Ca 0.50 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.36 1df5 h LEU 31 Cb 0.54 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1df5 h LEU 31 CO -0.27 0.46 -0.15 1.56 0.09 0.00 0.00 178.44 180.13 1df5 h GLN 32 N 0.25 0.23 -0.60 1.13 4.20 -0.15 -2.97 115.11 117.20 1df5 h GLN 32 Ca 0.05 -0.15 0.17 0.00 0.06 0.00 0.00 58.65 58.78 1df5 h GLN 32 Cb 0.48 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1df5 h GLN 32 CO 0.03 0.74 0.54 0.00 -0.67 0.00 0.00 178.83 179.47 1df5 h ALA 33 N 0.48 2.41 -0.97 3.87 0.00 -0.61 -1.33 119.26 123.11 1df5 h ALA 33 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.02 1df5 h ALA 33 Cb 0.74 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 1df5 h ALA 33 CO 0.03 -0.85 0.60 0.00 0.00 0.00 0.00 179.25 179.03 1df5 h ARG 34 N 0.00 0.89 0.37 0.00 -0.00 -1.27 -3.03 114.38 111.33 1df5 h ARG 34 Ca 0.28 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.98 59.69 1df5 h ARG 34 Cb 1.36 -0.20 0.00 0.00 0.00 0.00 0.00 29.97 31.13 1df5 h ARG 34 CO -0.00 0.59 -0.18 0.66 0.00 0.00 0.00 179.97 181.04 1df5 h SER 35 N 0.92 -0.42 0.00 7.04 4.64 -1.41 -3.47 113.55 120.85 1df5 h SER 35 Ca 0.49 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1df5 h SER 35 Cb 0.54 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1df5 h SER 35 CO -0.29 -0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.05 1df5 n GLY 36 N -0.49 -1.08 0.50 -0.77 0.00 -1.15 -5.16 105.19 97.05 1df5 n GLY 36 Ca -0.06 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1df5 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1df5 n GLY 37 N 0.00 -3.23 2.11 -0.02 0.00 -1.25 -4.83 105.19 97.97 1df5 n GLY 37 Ca 0.00 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 1df5 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1df5 n ARG 38 N -1.77 3.53 0.23 1.61 3.00 -1.26 -4.72 116.66 117.28 1df5 n ARG 38 Ca 0.00 -4.19 0.15 0.00 -0.01 0.00 0.00 57.85 53.79 1df5 n ARG 38 Cb 0.14 -2.25 0.48 0.00 0.00 0.00 0.00 32.46 30.83 1df5 n ARG 38 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1df5 h GLY 39 N 2.25 0.00 1.95 -0.13 0.00 -2.01 -3.10 103.07 102.03 1df5 h GLY 39 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1df5 h GLY 39 CO 0.76 0.00 -0.02 0.61 0.00 0.00 0.00 176.54 177.88 1df5 n GLY 40 N 0.47 -1.51 1.33 4.60 0.00 -1.26 -3.82 105.19 104.99 1df5 n GLY 40 Ca 0.02 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.03 1df5 n GLY 40 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1df5 n TRP 41 N -1.59 1.16 -0.27 1.61 7.02 -1.17 -4.64 117.44 119.56 1df5 n TRP 41 Ca 0.07 -0.58 0.07 0.00 -1.02 0.00 0.00 57.50 56.03 1df5 n TRP 41 Cb 0.35 -0.15 0.18 0.00 -2.42 0.00 0.00 31.31 29.27 1df5 n TRP 41 CO 0.00 0.00 0.00 0.52 -2.02 0.00 0.00 177.69 176.19 1df5 h MET 42 N 3.66 0.11 0.00 -0.99 0.00 -1.74 1.37 114.93 117.33 1df5 h MET 42 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 59.70 59.66 1df5 h MET 42 Cb 1.22 -0.02 -0.00 0.00 0.00 0.00 0.00 31.60 32.79 1df5 h MET 42 CO 0.14 0.07 -0.17 0.93 0.00 0.00 0.00 176.91 177.88 1df5 h GLU 43 N 0.11 0.00 0.02 1.72 4.39 -1.92 0.62 114.58 119.52 1df5 h GLU 43 Ca 0.44 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 60.00 1df5 h GLU 43 Cb 0.80 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1df5 h GLU 43 CO -0.69 0.17 -0.57 2.35 -1.16 0.00 0.00 179.01 179.11 1df5 h TRP 44 N 0.00 0.54 -0.19 4.33 7.01 0.11 -1.79 115.95 125.96 1df5 h TRP 44 Ca -0.00 -0.31 -0.02 0.00 2.11 0.00 0.00 58.89 60.68 1df5 h TRP 44 Cb 0.37 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 1df5 h TRP 44 CO 0.00 1.14 0.06 -0.44 -2.79 0.00 0.00 178.44 176.41 1df5 h ASP 45 N -0.21 0.28 -0.28 2.65 3.32 0.10 -1.36 116.42 120.93 1df5 h ASP 45 Ca -0.08 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 1df5 h ASP 45 Cb 1.30 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1df5 h ASP 45 CO 0.11 0.41 0.12 0.03 -1.72 0.00 0.00 179.24 178.19 1df5 h ARG 46 N 0.14 0.48 -0.44 3.56 3.08 0.14 0.00 114.38 121.34 1df5 h ARG 46 Ca 0.06 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1df5 h ARG 46 Cb 0.23 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1df5 h ARG 46 CO -0.00 0.42 -0.21 1.49 -1.07 0.00 0.00 179.97 180.60 1df5 h GLU 47 N 0.48 0.92 0.59 0.04 4.57 -1.03 -0.99 114.58 119.16 1df5 h GLU 47 Ca 0.12 -0.40 -0.03 0.00 -1.18 0.00 0.00 59.36 57.87 1df5 h GLU 47 Cb 0.13 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1df5 h GLU 47 CO -0.01 1.06 -0.28 0.82 -1.18 0.00 0.00 179.01 179.42 1df5 h ILE 48 N 0.76 0.37 -0.73 2.32 1.08 -0.34 -2.66 117.51 118.31 1df5 h ILE 48 Ca 0.10 -0.18 0.13 0.00 -0.39 0.00 0.00 64.86 64.52 1df5 h ILE 48 Cb 0.78 0.44 -0.09 0.00 -3.07 0.00 0.00 36.82 34.88 1df5 h ILE 48 CO 0.06 0.03 0.30 0.78 -0.69 0.00 0.00 178.15 178.63 1df5 h ASN 49 N -0.91 0.30 -0.25 1.72 -0.26 -1.03 -0.60 115.58 114.54 1df5 h ASN 49 Ca -0.08 0.10 0.06 0.00 -0.56 0.00 0.00 56.30 55.82 1df5 h ASN 49 Cb 0.65 0.07 -0.06 0.00 -1.06 0.00 0.00 38.32 37.91 1df5 h ASN 49 CO 0.13 0.13 -0.17 0.78 -1.06 0.00 0.00 177.43 177.25 1df5 h ASN 50 N 0.46 -0.55 0.19 5.81 2.35 -1.03 0.75 115.58 123.56 1df5 h ASN 50 Ca 0.39 0.11 -0.26 0.00 -0.55 0.00 0.00 56.30 56.00 1df5 h ASN 50 Cb 0.55 0.28 0.01 0.00 0.05 0.00 0.00 38.32 39.21 1df5 h ASN 50 CO -0.37 -0.21 -1.05 1.88 -1.65 0.00 0.00 177.43 176.04 1df5 h TYR 51 N -0.15 0.84 -0.83 1.19 -1.99 -1.10 -2.46 116.97 112.47 1df5 h TYR 51 Ca 0.14 -0.48 -0.01 0.00 2.00 0.00 0.00 58.73 60.38 1df5 h TYR 51 Cb 0.36 -0.09 -0.04 0.00 2.00 0.00 0.00 36.73 38.96 1df5 h TYR 51 CO -0.34 1.31 0.48 1.15 -0.00 0.00 0.00 178.16 180.76 1df5 h THR 52 N 0.30 1.24 -0.39 -2.88 2.02 -0.98 0.15 112.91 112.36 1df5 h THR 52 Ca -0.12 -0.56 -0.08 0.00 0.77 0.00 0.00 66.41 66.42 1df5 h THR 52 Cb 1.70 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1df5 h THR 52 CO 0.19 0.26 -0.09 -1.28 0.37 0.00 0.00 175.52 174.97 1df5 h SER 53 N 1.14 0.66 0.11 4.18 0.87 -0.86 0.04 113.55 119.69 1df5 h SER 53 Ca 0.29 -0.18 -0.17 0.00 -1.23 0.00 0.00 61.79 60.50 1df5 h SER 53 Cb -0.01 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1df5 h SER 53 CO -0.05 0.79 -0.64 0.25 -0.53 0.00 0.00 176.83 176.65 1df5 h LEU 54 N 0.62 0.58 -0.14 2.23 5.85 -0.86 -2.86 115.31 120.73 1df5 h LEU 54 Ca 0.11 -0.34 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 1df5 h LEU 54 Cb 0.52 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1df5 h LEU 54 CO 0.03 1.07 -0.34 0.40 -0.34 0.00 0.00 178.44 179.25 1df5 h ILE 55 N 0.37 1.36 -0.28 4.05 2.04 -0.37 -0.37 117.51 124.30 1df5 h ILE 55 Ca -0.01 -1.62 0.04 0.00 1.00 0.00 0.00 64.86 64.26 1df5 h ILE 55 Cb 1.20 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 39.27 1df5 h ILE 55 CO 0.12 0.49 0.06 0.45 0.00 0.00 0.00 178.15 179.27 1df5 h HIS 56 N 0.10 0.11 -0.32 1.37 3.86 -1.05 0.15 115.15 119.38 1df5 h HIS 56 Ca -0.00 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.15 1df5 h HIS 56 Cb 0.95 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.40 1df5 h HIS 56 CO 0.10 0.03 -0.10 1.03 0.86 0.00 0.00 177.93 179.86 1df5 h SER 57 N 0.17 0.51 -0.02 2.45 0.87 -1.53 -0.55 113.55 115.46 1df5 h SER 57 Ca 0.13 -0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 1df5 h SER 57 Cb 0.13 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1df5 h SER 57 CO -0.16 0.65 -0.31 -0.07 -0.53 0.00 0.00 176.83 176.41 1df5 h LEU 58 N 0.50 0.49 -0.14 2.23 3.38 -0.15 -1.61 115.31 120.01 1df5 h LEU 58 Ca 0.09 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1df5 h LEU 58 Cb 0.47 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1df5 h LEU 58 CO 0.03 0.78 -0.34 0.40 0.09 0.00 0.00 178.44 179.39 1df5 h ILE 59 N 0.41 1.37 -0.33 1.22 2.04 -0.17 -2.94 117.51 119.10 1df5 h ILE 59 Ca 0.05 -1.63 -0.08 0.00 1.00 0.00 0.00 64.86 64.20 1df5 h ILE 59 Cb 0.75 2.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 1df5 h ILE 59 CO 0.06 0.49 -0.14 1.05 0.00 0.00 0.00 178.15 179.61 1df5 h GLU 60 N 0.08 0.59 0.00 2.37 4.11 -1.02 -1.32 114.58 119.38 1df5 h GLU 60 Ca -0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.36 59.24 1df5 h GLU 60 Cb 0.96 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1df5 h GLU 60 CO 0.07 0.71 0.00 0.39 0.07 0.00 0.00 179.01 180.25 1df5 n GLU 61 N -4.18 0.01 -0.04 1.06 4.71 -0.61 -2.63 120.64 118.96 1df5 n GLU 61 Ca 0.01 0.09 -0.05 0.00 -0.01 0.00 0.00 57.16 57.20 1df5 n GLU 61 Cb 0.35 -1.52 -0.14 0.00 -1.01 0.00 0.00 31.44 29.13 1df5 n GLU 61 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1df5 n SER 62 N -1.54 0.45 -0.07 1.62 3.41 -0.61 -3.60 113.62 113.29 1df5 n SER 62 Ca 0.06 0.21 -0.14 0.00 -0.26 0.00 0.00 58.87 58.74 1df5 n SER 62 Cb 0.29 0.60 -0.12 0.00 -0.26 0.00 0.00 64.21 64.72 1df5 n SER 62 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1df5 h GLN 63 N 0.00 0.00 -0.00 4.33 4.20 -1.16 -3.33 115.11 119.16 1df5 h GLN 63 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1df5 h GLN 63 Cb 1.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.67 1df5 h GLN 63 CO 0.04 0.96 -0.00 0.27 -0.67 0.00 0.00 178.83 179.44 1df5 n ASN 64 N -4.61 0.01 -3.74 1.46 2.04 -1.08 -4.38 115.26 104.95 1df5 n ASN 64 Ca -0.10 -0.68 -0.28 0.00 -0.44 0.00 0.00 54.58 53.08 1df5 n ASN 64 Cb 0.47 -0.11 -0.12 0.00 -2.53 0.00 0.00 39.78 37.49 1df5 n ASN 64 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 1df5 s GLN 65 N -2.22 1.75 0.00 -3.83 -1.52 -1.24 -4.69 119.66 107.92 1df5 s GLN 65 Ca 0.41 -2.62 0.00 0.00 -1.95 0.00 0.00 55.36 51.19 1df5 s GLN 65 Cb 0.21 -2.68 0.00 0.00 -0.22 0.00 0.00 33.01 30.33 1df5 s GLN 65 CO 0.40 -1.25 0.00 0.00 -0.25 0.00 0.00 175.29 174.19 1df5 n GLN 66 N 2.73 0.00 -1.65 2.91 -0.00 -1.26 -4.72 117.38 115.39 1df5 n GLN 66 Ca 0.17 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.79 1df5 n GLN 66 Cb 0.37 0.00 -0.03 0.00 -0.00 0.00 0.00 30.24 30.58 1df5 n GLN 66 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1df5 s GLU 67 N 0.00 2.49 0.00 2.61 2.02 -1.26 -5.18 118.70 119.38 1df5 s GLU 67 Ca 0.00 1.47 0.01 0.00 0.02 0.00 0.00 54.97 56.47 1df5 s GLU 67 Cb 0.00 -4.49 0.01 0.00 0.10 0.00 0.00 34.13 29.75 1df5 s GLU 67 CO 0.00 -2.84 0.52 1.63 0.02 0.00 0.00 175.26 174.59