#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1df4 h VAL 4 N 0.00 1.20 -0.83 7.28 2.07 -2.05 0.37 116.25 124.30 1df4 h VAL 4 Ca 0.00 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1df4 h VAL 4 Cb 0.00 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1df4 h VAL 4 CO 0.00 0.22 0.42 -0.61 0.02 0.00 0.00 177.57 177.62 1df4 h GLN 5 N 0.34 1.17 -0.44 1.57 -0.00 -2.05 -1.26 115.11 114.44 1df4 h GLN 5 Ca 0.10 -0.16 -0.12 0.00 -0.00 0.00 0.00 58.65 58.47 1df4 h GLN 5 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 27.48 27.49 1df4 h GLN 5 CO -0.00 0.88 -0.21 0.37 0.00 0.00 0.00 178.83 179.87 1df4 h GLN 6 N 1.17 0.87 -0.37 1.69 5.75 -1.89 -0.64 115.11 121.70 1df4 h GLN 6 Ca 0.29 -0.36 -0.08 0.00 -0.15 0.00 0.00 58.65 58.35 1df4 h GLN 6 Cb 0.08 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 1df4 h GLN 6 CO -0.04 1.00 -0.11 1.96 -2.65 0.00 0.00 178.83 178.99 1df4 h GLN 7 N 0.76 0.64 -0.56 1.69 4.20 -0.43 -0.53 115.11 120.88 1df4 h GLN 7 Ca 0.10 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.51 1df4 h GLN 7 Cb 0.75 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 1df4 h GLN 7 CO 0.06 0.73 -0.09 -0.91 -0.67 0.00 0.00 178.83 177.95 1df4 h ASN 8 N 0.58 1.05 0.08 1.46 -0.26 -0.86 -1.25 115.58 116.38 1df4 h ASN 8 Ca 0.11 -0.34 0.01 0.00 -0.56 0.00 0.00 56.30 55.51 1df4 h ASN 8 Cb 0.53 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 1df4 h ASN 8 CO 0.03 1.14 -0.11 0.78 -1.06 0.00 0.00 177.43 178.21 1df4 h ASN 9 N 0.93 -0.30 -0.74 5.81 -0.26 -0.67 -0.65 115.58 119.71 1df4 h ASN 9 Ca 0.15 0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.88 1df4 h ASN 9 Cb 0.66 0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 38.00 1df4 h ASN 9 CO 0.05 -0.17 0.28 -0.07 -1.06 0.00 0.00 177.43 176.46 1df4 h LEU 10 N -0.23 1.04 -0.34 1.61 3.38 -0.81 -1.18 115.31 118.78 1df4 h LEU 10 Ca 0.02 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1df4 h LEU 10 Cb 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1df4 h LEU 10 CO -0.06 0.94 0.20 0.25 0.09 0.00 0.00 178.44 179.86 1df4 h LEU 11 N 1.07 0.42 -1.52 1.67 5.85 -1.05 -0.15 115.31 121.60 1df4 h LEU 11 Ca 0.24 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1df4 h LEU 11 Cb 0.24 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1df4 h LEU 11 CO -0.02 0.36 0.29 0.03 -0.34 0.00 0.00 178.44 178.77 1df4 h ARG 12 N 0.44 0.61 -0.30 1.25 3.08 -0.78 -0.09 114.38 118.59 1df4 h ARG 12 Ca 0.12 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 1df4 h ARG 12 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1df4 h ARG 12 CO -0.02 0.42 0.00 0.00 -1.07 0.00 0.00 179.97 179.30 1df4 h ALA 13 N 1.70 0.40 -0.78 0.04 0.00 -0.64 -0.75 119.26 119.23 1df4 h ALA 13 Ca 0.17 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1df4 h ALA 13 Cb -0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1df4 h ALA 13 CO -0.03 0.14 0.30 0.82 0.00 0.00 0.00 179.25 180.48 1df4 h ILE 14 N 0.32 1.26 -0.41 0.00 2.04 -0.50 0.68 117.51 120.90 1df4 h ILE 14 Ca 0.08 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 1df4 h ILE 14 Cb 0.43 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1df4 h ILE 14 CO 0.01 0.34 0.24 -0.33 0.00 0.00 0.00 178.15 178.42 1df4 h GLU 15 N 1.14 0.56 -0.30 2.37 5.08 -0.79 0.36 114.58 123.01 1df4 h GLU 15 Ca 0.26 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.43 1df4 h GLU 15 Cb 0.24 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1df4 h GLU 15 CO -0.02 0.43 -0.35 0.00 -1.00 0.00 0.00 179.01 178.07 1df4 h ALA 16 N 1.10 0.83 -0.27 3.43 0.00 -0.71 -2.14 119.26 121.51 1df4 h ALA 16 Ca 0.15 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1df4 h ALA 16 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1df4 h ALA 16 CO -0.03 0.64 -0.09 1.96 0.00 0.00 0.00 179.25 181.73 1df4 h GLN 17 N 0.56 0.43 -0.31 0.00 4.20 -0.62 -1.62 115.11 117.75 1df4 h GLN 17 Ca 0.06 -0.11 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 1df4 h GLN 17 Cb 0.86 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1df4 h GLN 17 CO 0.07 0.53 -0.29 0.37 -0.67 0.00 0.00 178.83 178.85 1df4 h GLN 18 N 0.41 0.64 -0.46 1.46 5.75 -0.33 0.11 115.11 122.70 1df4 h GLN 18 Ca 0.08 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.29 1df4 h GLN 18 Cb 0.42 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 1df4 h GLN 18 CO 0.02 0.86 0.24 0.45 -2.65 0.00 0.00 178.83 177.75 1df4 h HIS 19 N 0.55 0.64 -0.21 3.99 3.86 -0.83 -0.06 115.15 123.10 1df4 h HIS 19 Ca 0.07 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1df4 h HIS 19 Cb 0.77 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1df4 h HIS 19 CO 0.03 0.50 0.11 1.25 0.86 0.00 0.00 177.93 180.68 1df4 h LEU 20 N 0.60 0.27 -0.53 2.43 5.85 -0.74 -1.42 115.31 121.77 1df4 h LEU 20 Ca 0.16 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.87 1df4 h LEU 20 Cb 0.09 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 1df4 h LEU 20 CO -0.02 0.30 0.08 -0.07 -0.34 0.00 0.00 178.44 178.39 1df4 h LEU 21 N 0.21 -0.06 -1.19 2.25 3.38 -0.59 -0.88 115.31 118.44 1df4 h LEU 21 Ca 0.07 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1df4 h LEU 21 Cb 0.10 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1df4 h LEU 21 CO -0.01 -0.01 0.18 1.56 0.09 0.00 0.00 178.44 180.25 1df4 h GLN 22 N 0.21 0.74 -0.62 1.13 1.08 -0.66 0.18 115.11 117.17 1df4 h GLN 22 Ca 0.27 -0.12 -0.08 0.00 -1.45 0.00 0.00 58.65 57.27 1df4 h GLN 22 Cb 0.39 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 1df4 h GLN 22 CO -0.37 0.63 0.09 -0.07 -0.95 0.00 0.00 178.83 178.16 1df4 h LEU 23 N 0.73 0.98 -0.49 1.46 3.38 -0.60 -0.63 115.31 120.15 1df4 h LEU 23 Ca 0.17 -0.23 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1df4 h LEU 23 Cb 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1df4 h LEU 23 CO -0.01 0.98 -0.52 0.71 0.09 0.00 0.00 178.44 179.69 1df4 h THR 24 N 0.96 1.31 -0.12 0.22 1.35 -0.47 -1.03 112.91 115.13 1df4 h THR 24 Ca 0.19 -1.74 -0.00 0.00 -0.55 0.00 0.00 66.41 64.31 1df4 h THR 24 Cb 0.43 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 1df4 h THR 24 CO 0.01 0.55 0.07 0.58 -0.25 0.00 0.00 175.52 176.48 1df4 h VAL 25 N 0.50 1.08 -0.96 6.82 2.07 -0.74 -0.68 116.25 124.33 1df4 h VAL 25 Ca 0.02 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1df4 h VAL 25 Cb 1.07 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 1df4 h VAL 25 CO 0.10 0.07 0.63 -0.25 0.02 0.00 0.00 177.57 178.14 1df4 h TRP 26 N 0.12 1.18 -0.43 1.57 7.01 -0.98 -0.95 115.95 123.47 1df4 h TRP 26 Ca 0.04 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1df4 h TRP 26 Cb 0.05 -0.39 -0.02 0.00 -2.10 0.00 0.00 29.16 26.70 1df4 h TRP 26 CO -0.05 0.69 0.20 0.78 -2.79 0.00 0.00 178.44 177.27 1df4 h GLY 27 N 1.22 0.67 1.01 2.65 0.00 -0.74 -1.81 103.07 106.09 1df4 h GLY 27 Ca 0.38 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1df4 h GLY 27 CO -0.12 0.32 0.25 -2.22 0.00 0.00 0.00 176.54 174.77 1df4 h ILE 28 N 0.56 1.24 -0.24 2.60 2.04 -0.68 -2.02 117.51 121.02 1df4 h ILE 28 Ca 0.15 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1df4 h ILE 28 Cb 0.13 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1df4 h ILE 28 CO -0.02 0.30 0.01 0.11 0.00 0.00 0.00 178.15 178.56 1df4 h LYS 29 N 0.93 0.34 -0.16 2.37 1.57 -0.80 -0.37 116.57 120.45 1df4 h LYS 29 Ca 0.22 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.77 1df4 h LYS 29 Cb 0.23 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1df4 h LYS 29 CO -0.02 0.37 -0.60 1.96 -0.57 0.00 0.00 179.45 180.59 1df4 h GLN 30 N 0.34 0.55 -0.05 3.15 1.08 -0.79 -1.37 115.11 118.02 1df4 h GLN 30 Ca 0.08 -0.37 -0.13 0.00 -1.45 0.00 0.00 58.65 56.78 1df4 h GLN 30 Cb 0.21 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1df4 h GLN 30 CO 0.00 0.98 -0.58 -0.07 -0.95 0.00 0.00 178.83 178.22 1df4 h LEU 31 N 0.41 0.16 0.00 1.46 3.38 -0.76 -3.06 115.31 116.90 1df4 h LEU 31 Ca -0.00 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1df4 h LEU 31 Cb 1.15 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1df4 h LEU 31 CO 0.11 0.71 -0.64 0.06 0.09 0.00 0.00 178.44 178.77 1df4 h GLN 32 N 0.11 0.00 -6.35 1.13 3.07 -0.74 -3.51 115.11 108.81 1df4 h GLN 32 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.19 1df4 h GLN 32 Cb 1.06 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.56 1df4 h GLN 32 CO 0.08 0.51 1.15 0.00 0.09 0.00 0.00 178.83 180.67 1df4 s ALA 33 N -2.94 2.76 0.00 0.06 0.00 -0.55 -5.10 121.76 116.00 1df4 s ALA 33 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1df4 s ALA 33 Cb 0.08 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 19.10 1df4 s ALA 33 CO 0.76 -2.96 0.00 0.41 0.00 0.00 0.00 175.76 173.97 1df4 n GLY 39 N 5.31 1.53 1.87 0.00 0.00 -1.26 -5.10 105.19 107.54 1df4 n GLY 39 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1df4 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1df4 n GLY 40 N -0.06 1.30 1.04 -0.02 0.00 -1.26 -4.89 105.19 101.29 1df4 n GLY 40 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1df4 n GLY 40 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1df4 n TRP 41 N -2.00 0.64 -0.33 1.61 7.02 -1.26 -4.62 117.44 118.50 1df4 n TRP 41 Ca 0.00 -0.40 0.02 0.00 -1.02 0.00 0.00 57.50 56.09 1df4 n TRP 41 Cb 0.00 -0.01 0.15 0.00 -2.42 0.00 0.00 31.31 29.04 1df4 n TRP 41 CO 0.00 0.00 0.00 0.52 -2.02 0.00 0.00 177.69 176.19 1df4 h MET 42 N 3.53 0.99 -0.09 -0.99 2.07 -1.99 0.48 114.93 118.93 1df4 h MET 42 Ca 0.00 -0.06 -0.21 0.00 -2.07 0.00 0.00 59.70 57.36 1df4 h MET 42 Cb 0.88 -0.22 0.00 0.00 -1.87 0.00 0.00 31.60 30.39 1df4 h MET 42 CO 0.00 0.65 -0.80 1.49 1.07 0.00 0.00 176.91 179.32 1df4 h GLU 43 N 1.02 0.59 -0.74 1.72 4.57 -2.00 -1.40 114.58 118.34 1df4 h GLU 43 Ca 0.40 -0.51 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1df4 h GLU 43 Cb 0.19 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1df4 h GLU 43 CO -0.18 1.13 0.41 2.35 -1.18 0.00 0.00 179.01 181.53 1df4 h TRP 44 N 0.39 1.02 -0.54 0.92 7.01 -1.73 -1.04 115.95 121.98 1df4 h TRP 44 Ca -0.05 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 60.83 1df4 h TRP 44 Cb 1.41 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 28.13 1df4 h TRP 44 CO 0.07 0.71 -0.01 -0.44 -2.79 0.00 0.00 178.44 175.99 1df4 h ASP 45 N 1.02 0.94 -0.40 2.65 3.45 -0.81 0.75 116.42 124.02 1df4 h ASP 45 Ca 0.26 -0.31 0.03 0.00 0.43 0.00 0.00 57.03 57.44 1df4 h ASP 45 Cb 0.04 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.52 1df4 h ASP 45 CO -0.04 1.02 0.20 -0.09 -1.57 0.00 0.00 179.24 178.76 1df4 h ARG 46 N 0.83 0.39 -0.36 3.56 2.43 -0.81 0.56 114.38 120.98 1df4 h ARG 46 Ca 0.15 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.14 1df4 h ARG 46 Cb 0.54 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1df4 h ARG 46 CO 0.03 0.26 -0.39 0.93 -1.51 0.00 0.00 179.97 179.29 1df4 h GLU 47 N 0.40 0.89 -0.33 0.20 4.39 -0.73 0.02 114.58 119.41 1df4 h GLU 47 Ca 0.17 -0.47 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 1df4 h GLU 47 Cb 0.07 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1df4 h GLU 47 CO -0.12 1.12 0.20 0.82 -1.16 0.00 0.00 179.01 179.87 1df4 h ILE 48 N 0.72 1.11 -0.40 3.13 1.08 -0.65 -0.48 117.51 122.02 1df4 h ILE 48 Ca 0.06 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1df4 h ILE 48 Cb 0.98 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 1df4 h ILE 48 CO 0.09 0.11 0.20 0.78 -0.69 0.00 0.00 178.15 178.65 1df4 h ASN 49 N 0.43 0.51 -0.26 1.72 2.35 -0.63 0.72 115.58 120.43 1df4 h ASN 49 Ca 0.12 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1df4 h ASN 49 Cb 0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1df4 h ASN 49 CO -0.02 0.48 0.03 0.78 -1.65 0.00 0.00 177.43 177.05 1df4 h ASN 50 N 0.51 0.42 -0.01 5.81 2.35 -0.65 -0.70 115.58 123.32 1df4 h ASN 50 Ca 0.14 -0.27 -0.13 0.00 -0.55 0.00 0.00 56.30 55.49 1df4 h ASN 50 Cb 0.09 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1df4 h ASN 50 CO -0.02 0.59 -0.41 1.88 -1.65 0.00 0.00 177.43 177.82 1df4 h TYR 51 N 0.24 0.62 -0.52 1.19 -1.99 -1.00 -0.26 116.97 115.25 1df4 h TYR 51 Ca 0.08 -0.18 -0.00 0.00 2.00 0.00 0.00 58.73 60.63 1df4 h TYR 51 Cb 0.35 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.92 1df4 h TYR 51 CO 0.02 0.85 0.32 1.15 -0.00 0.00 0.00 178.16 180.50 1df4 h THR 52 N 0.43 1.15 -0.57 -2.88 2.02 -0.67 0.56 112.91 112.95 1df4 h THR 52 Ca 0.04 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 1df4 h THR 52 Cb 0.90 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1df4 h THR 52 CO 0.08 0.15 0.05 0.28 0.37 0.00 0.00 175.52 176.46 1df4 h SER 53 N 0.70 0.94 -0.14 4.18 0.02 -0.95 -1.12 113.55 117.18 1df4 h SER 53 Ca 0.19 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1df4 h SER 53 Cb -0.03 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1df4 h SER 53 CO -0.04 0.99 0.07 0.25 -1.14 0.00 0.00 176.83 176.96 1df4 h LEU 54 N 0.86 0.11 -0.80 5.07 5.85 -0.78 -1.03 115.31 124.60 1df4 h LEU 54 Ca 0.17 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 1df4 h LEU 54 Cb 0.47 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1df4 h LEU 54 CO 0.02 0.08 -0.01 -0.29 -0.34 0.00 0.00 178.44 177.91 1df4 h ILE 55 N 0.15 1.25 -0.64 4.05 6.09 -0.68 -1.48 117.51 126.25 1df4 h ILE 55 Ca 0.05 -1.08 0.01 0.00 -1.37 0.00 0.00 64.86 62.48 1df4 h ILE 55 Cb 0.00 0.85 -0.03 0.00 0.47 0.00 0.00 36.82 38.11 1df4 h ILE 55 CO -0.03 0.38 0.42 0.45 -3.07 0.00 0.00 178.15 176.30 1df4 h HIS 56 N 0.83 0.79 -0.70 2.19 3.86 -0.94 0.75 115.15 121.94 1df4 h HIS 56 Ca 0.16 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 1df4 h HIS 56 Cb 0.50 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 1df4 h HIS 56 CO 0.03 0.49 0.29 0.66 0.86 0.00 0.00 177.93 180.26 1df4 h SER 57 N 0.85 0.95 -0.04 2.45 4.64 -0.40 -0.20 113.55 121.80 1df4 h SER 57 Ca 0.24 -0.16 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 1df4 h SER 57 Cb -0.08 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.76 1df4 h SER 57 CO -0.06 0.85 -0.42 -0.07 -0.87 0.00 0.00 176.83 176.26 1df4 h LEU 58 N 0.99 0.61 -0.17 5.97 3.38 -0.71 -0.43 115.31 124.95 1df4 h LEU 58 Ca 0.23 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1df4 h LEU 58 Cb 0.19 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1df4 h LEU 58 CO -0.02 0.96 -0.06 0.40 0.09 0.00 0.00 178.44 179.81 1df4 h ILE 59 N 0.47 1.30 -0.77 1.22 2.04 -0.61 -0.51 117.51 120.65 1df4 h ILE 59 Ca 0.04 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 1df4 h ILE 59 Cb 0.93 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 1df4 h ILE 59 CO 0.08 0.31 0.34 -0.33 0.00 0.00 0.00 178.15 178.55 1df4 h GLU 60 N 0.02 1.12 -0.32 2.37 3.07 -0.90 0.15 114.58 120.10 1df4 h GLU 60 Ca 0.04 -0.18 0.02 0.00 -0.50 0.00 0.00 59.36 58.74 1df4 h GLU 60 Cb 0.51 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 1df4 h GLU 60 CO 0.02 0.89 0.16 1.49 -1.40 0.00 0.00 179.01 180.17 1df4 h GLU 61 N 1.11 0.32 -0.54 2.33 4.81 -0.98 -1.35 114.58 120.27 1df4 h GLU 61 Ca 0.26 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 1df4 h GLU 61 Cb 0.16 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1df4 h GLU 61 CO -0.03 0.21 0.11 0.77 -0.73 0.00 0.00 179.01 179.35 1df4 h SER 62 N 0.33 0.84 -0.58 1.04 0.02 -0.43 -2.69 113.55 112.08 1df4 h SER 62 Ca 0.13 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1df4 h SER 62 Cb 0.05 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1df4 h SER 62 CO -0.09 0.87 0.34 1.56 -1.14 0.00 0.00 176.83 178.37 1df4 h GLN 63 N 0.77 0.65 0.00 3.45 4.20 -0.47 -3.51 115.11 120.20 1df4 h GLN 63 Ca 0.17 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1df4 h GLN 63 Cb 0.37 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1df4 h GLN 63 CO 0.01 0.43 0.00 -1.71 -0.67 0.00 0.00 178.83 176.89