#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f66 s ASP 24 N 0.00 6.47 0.22 6.15 -1.08 -1.26 -4.96 116.67 122.20 1f66 s ASP 24 Ca 0.00 2.45 -0.08 0.00 -0.52 0.00 0.00 52.55 54.40 1f66 s ASP 24 Cb 0.00 -2.62 0.33 0.00 -1.46 0.00 0.00 42.92 39.17 1f66 s ASP 24 CO 0.00 -0.72 1.73 0.78 0.52 0.00 0.00 175.17 177.48 1f66 h ASN 25 N 2.69 0.19 -0.05 -0.34 2.35 -2.03 -1.30 115.58 117.08 1f66 h ASN 25 Ca -0.49 0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.37 1f66 h ASN 25 Cb 1.24 0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.70 1f66 h ASN 25 CO 0.63 0.10 0.11 -0.29 -1.65 0.00 0.00 177.43 176.32 1f66 h ILE 26 N 0.38 0.22 -0.02 2.81 6.09 -1.95 0.54 117.51 125.58 1f66 h ILE 26 Ca 0.34 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.83 1f66 h ILE 26 Cb 0.47 0.90 0.00 0.00 0.47 0.00 0.00 36.82 38.67 1f66 h ILE 26 CO -0.36 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 174.72 1f66 n GLN 27 N -3.37 1.36 0.23 2.19 1.13 -0.49 -2.42 117.38 115.99 1f66 n GLN 27 Ca -0.02 -0.52 0.12 0.00 -1.94 0.00 0.00 57.00 54.65 1f66 n GLN 27 Cb 0.19 -1.47 0.25 0.00 0.11 0.00 0.00 30.24 29.31 1f66 n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1f66 h GLY 28 N 4.95 0.00 -7.19 1.08 0.00 0.07 -3.35 103.07 98.63 1f66 h GLY 28 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1f66 h GLY 28 CO 0.00 0.00 0.65 -0.42 0.00 0.00 0.00 176.54 176.77 1f66 s ILE 29 N -3.27 4.24 0.45 2.60 -1.09 -1.02 -4.99 121.20 118.12 1f66 s ILE 29 Ca 0.06 0.08 -0.02 0.00 -2.23 0.00 0.00 60.65 58.54 1f66 s ILE 29 Cb 0.06 -4.66 -0.02 0.00 -1.58 0.00 0.00 42.46 36.25 1f66 s ILE 29 CO 0.65 -1.37 0.71 0.42 -1.23 0.00 0.00 174.94 174.12 1f66 s THR 30 N 4.32 4.56 0.15 2.92 -4.23 -1.26 -4.91 115.64 117.20 1f66 s THR 30 Ca 0.28 -0.19 -0.23 0.00 -1.18 0.00 0.00 61.69 60.38 1f66 s THR 30 Cb -0.13 -3.71 0.03 0.00 1.34 0.00 0.00 72.50 70.02 1f66 s THR 30 CO 0.15 -0.59 1.62 0.11 -0.54 0.00 0.00 174.62 175.38 1f66 h LYS 31 N 0.36 -0.26 -0.88 3.99 1.79 -1.94 0.41 116.57 120.04 1f66 h LYS 31 Ca -0.47 0.02 0.15 0.00 -2.18 0.00 0.00 60.65 58.17 1f66 h LYS 31 Cb 1.23 0.06 -0.10 0.00 -1.58 0.00 0.00 32.23 31.84 1f66 h LYS 31 CO 0.60 -0.17 0.47 -1.35 -1.08 0.00 0.00 179.45 177.92 1f66 h PRO 32 N -0.27 0.63 -0.26 3.15 0.11 -1.98 0.82 132.00 134.20 1f66 h PRO 32 Ca 0.14 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.13 1f66 h PRO 32 Cb 0.49 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1f66 h PRO 32 CO -0.41 0.42 -0.16 0.00 -0.21 0.00 0.00 178.00 177.64 1f66 h ALA 33 N 1.57 0.37 -0.61 -0.75 0.00 -1.58 -1.24 119.26 117.02 1f66 h ALA 33 Ca 0.48 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1f66 h ALA 33 Cb 0.69 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1f66 h ALA 33 CO -0.37 0.27 0.40 0.82 0.00 0.00 0.00 179.25 180.37 1f66 h ILE 34 N 0.29 1.16 -0.28 0.00 2.04 0.07 -1.41 117.51 119.38 1f66 h ILE 34 Ca 0.05 -0.30 -0.13 0.00 1.00 0.00 0.00 64.86 65.49 1f66 h ILE 34 Cb 0.69 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1f66 h ILE 34 CO 0.05 0.15 -0.36 -0.09 0.00 0.00 0.00 178.15 177.90 1f66 h ARG 35 N 0.83 0.64 -0.38 2.37 2.43 0.83 -1.96 114.38 119.13 1f66 h ARG 35 Ca 0.22 -0.31 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 1f66 h ARG 35 Cb -0.09 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1f66 h ARG 35 CO -0.05 0.90 -0.20 0.00 -1.51 0.00 0.00 179.97 179.12 1f66 h ARG 36 N 0.53 0.74 -0.31 0.20 3.08 -0.21 -1.77 114.38 116.64 1f66 h ARG 36 Ca 0.05 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 1f66 h ARG 36 Cb 0.87 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1f66 h ARG 36 CO 0.08 0.88 0.10 -0.07 -1.07 0.00 0.00 179.97 179.89 1f66 h LEU 37 N 0.65 0.45 -0.84 3.04 3.38 -1.00 -1.53 115.31 119.46 1f66 h LEU 37 Ca 0.10 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1f66 h LEU 37 Cb 0.69 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 1f66 h LEU 37 CO 0.05 0.53 0.53 0.00 0.09 0.00 0.00 178.44 179.64 1f66 h ALA 38 N 0.93 1.13 -0.60 1.53 0.00 -1.19 -0.88 119.26 120.18 1f66 h ALA 38 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1f66 h ALA 38 Cb 0.24 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1f66 h ALA 38 CO -0.00 0.30 0.29 0.00 0.00 0.00 0.00 179.25 179.84 1f66 h ARG 39 N 0.99 0.87 0.00 0.00 2.47 -0.95 0.32 114.38 118.07 1f66 h ARG 39 Ca 0.35 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.93 1f66 h ARG 39 Cb 0.10 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1f66 h ARG 39 CO -0.15 0.70 -0.09 -0.09 0.56 0.00 0.00 179.97 180.90 1f66 h ARG 40 N 0.82 0.00 -0.23 0.04 2.43 -0.63 0.12 114.38 116.93 1f66 h ARG 40 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1f66 h ARG 40 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1f66 h ARG 40 CO -0.03 0.09 0.00 0.41 -1.51 0.00 0.00 179.97 178.93 1f66 n GLY 41 N -0.69 -0.08 2.36 2.80 0.00 1.00 -4.88 105.19 105.70 1f66 n GLY 41 Ca -0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1f66 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f66 n GLY 42 N 0.68 1.17 3.74 -0.02 0.00 0.41 -5.01 105.19 106.17 1f66 n GLY 42 Ca 0.05 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 1f66 n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f66 s VAL 43 N -2.33 4.76 -0.21 1.61 1.01 -0.50 -4.99 120.40 119.75 1f66 s VAL 43 Ca 0.00 1.60 -0.03 0.00 0.00 0.00 0.00 61.98 63.55 1f66 s VAL 43 Cb 0.00 -4.10 -0.20 0.00 0.00 0.00 0.00 36.38 32.08 1f66 s VAL 43 CO 0.00 0.36 -0.02 1.17 0.00 0.00 0.00 175.10 176.61 1f66 n LYS 44 N 2.88 0.68 -4.11 2.72 3.00 -1.26 -4.36 118.16 117.70 1f66 n LYS 44 Ca -0.02 0.21 -0.17 0.00 -0.00 0.00 0.00 58.31 58.33 1f66 n LYS 44 Cb 0.50 -1.59 -0.15 0.00 0.00 0.00 0.00 35.03 33.79 1f66 n LYS 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1f66 s ARG 45 N -2.53 0.52 -0.15 1.64 3.52 -1.26 -5.14 118.95 115.56 1f66 s ARG 45 Ca -0.31 -0.10 0.01 0.00 -0.13 0.00 0.00 55.73 55.20 1f66 s ARG 45 Cb 0.08 -0.56 0.00 0.00 -1.56 0.00 0.00 34.95 32.92 1f66 s ARG 45 CO 0.65 -0.00 -0.18 0.42 -0.81 0.00 0.00 175.30 175.38 1f66 s ILE 46 N 0.47 2.47 0.70 4.11 1.01 -1.26 -5.12 121.20 123.57 1f66 s ILE 46 Ca -0.05 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 59.62 1f66 s ILE 46 Cb -0.09 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.38 1f66 s ILE 46 CO -0.00 0.53 1.11 -0.55 0.00 0.00 0.00 174.94 176.03 1f66 s SER 47 N 0.79 4.85 0.40 3.58 0.15 -1.26 -4.91 113.70 117.31 1f66 s SER 47 Ca -0.06 1.99 0.15 0.00 0.70 0.00 0.00 55.95 58.73 1f66 s SER 47 Cb -0.15 -2.55 0.85 0.00 -1.71 0.00 0.00 66.02 62.46 1f66 s SER 47 CO -0.00 -1.80 1.88 1.23 1.20 0.00 0.00 173.24 175.74 1f66 h GLY 48 N -0.30 0.00 2.00 9.45 0.00 -2.06 -2.84 103.07 109.32 1f66 h GLY 48 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1f66 h GLY 48 CO 0.53 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.48 1f66 h LEU 49 N 0.00 0.00 -1.32 3.11 3.38 -2.04 -3.29 115.31 115.15 1f66 h LEU 49 Ca -0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1f66 h LEU 49 Cb 0.58 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 1f66 h LEU 49 CO 0.04 0.00 0.56 0.40 0.09 0.00 0.00 178.44 179.53 1f66 h ILE 50 N 0.00 0.86 -0.36 1.22 1.08 -1.87 -3.05 117.51 115.40 1f66 h ILE 50 Ca 0.00 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 64.22 1f66 h ILE 50 Cb 0.55 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 1f66 h ILE 50 CO 0.00 0.13 0.19 1.88 -0.69 0.00 0.00 178.15 179.66 1f66 h TYR 51 N 0.69 0.50 -0.37 1.37 0.05 -1.78 0.13 116.97 117.56 1f66 h TYR 51 Ca 0.42 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 59.14 1f66 h TYR 51 Cb 0.65 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 1f66 h TYR 51 CO -0.00 0.40 0.03 0.93 -1.05 0.00 0.00 178.16 178.47 1f66 h GLU 52 N 0.45 0.64 -0.58 4.88 4.39 -1.80 -2.53 114.58 120.03 1f66 h GLU 52 Ca 0.13 -0.19 0.06 0.00 0.34 0.00 0.00 59.36 59.70 1f66 h GLU 52 Cb 0.07 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 1f66 h GLU 52 CO -0.02 0.72 0.29 1.49 -1.16 0.00 0.00 179.01 180.33 1f66 h GLU 53 N 0.46 0.53 -0.95 2.33 4.57 -1.38 -1.24 114.58 118.90 1f66 h GLU 53 Ca 0.11 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.30 1f66 h GLU 53 Cb 0.41 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.83 1f66 h GLU 53 CO 0.01 0.35 0.62 1.15 -1.18 0.00 0.00 179.01 179.96 1f66 h THR 54 N 0.54 1.15 -0.71 0.32 2.02 -0.65 -1.45 112.91 114.13 1f66 h THR 54 Ca 0.26 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1f66 h THR 54 Cb 0.20 -0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.43 1f66 h THR 54 CO -0.19 0.22 0.32 0.03 0.37 0.00 0.00 175.52 176.26 1f66 h ARG 55 N 1.18 1.04 -0.30 6.66 3.08 -0.82 0.24 114.38 125.46 1f66 h ARG 55 Ca 0.38 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 1f66 h ARG 55 Cb 0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1f66 h ARG 55 CO -0.13 0.83 0.11 0.78 -1.07 0.00 0.00 179.97 180.49 1f66 h GLY 56 N 1.00 0.49 0.82 0.04 0.00 -0.89 -0.13 103.07 104.40 1f66 h GLY 56 Ca 0.24 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.34 1f66 h GLY 56 CO -0.03 0.25 0.54 -2.08 0.00 0.00 0.00 176.54 175.23 1f66 h VAL 57 N 0.34 1.10 -0.36 4.60 2.07 -0.70 -1.61 116.25 121.70 1f66 h VAL 57 Ca 0.10 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 67.14 1f66 h VAL 57 Cb 0.20 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1f66 h VAL 57 CO -0.01 0.19 -0.32 0.25 0.02 0.00 0.00 177.57 177.70 1f66 h LEU 58 N 1.02 0.81 -0.22 2.57 5.85 -0.64 -1.85 115.31 122.85 1f66 h LEU 58 Ca 0.35 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1f66 h LEU 58 Cb 0.06 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1f66 h LEU 58 CO -0.14 1.06 0.11 0.50 -0.34 0.00 0.00 178.44 179.64 1f66 h LYS 59 N 0.66 0.23 -0.29 1.25 3.64 -0.37 0.11 116.57 121.81 1f66 h LYS 59 Ca 0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1f66 h LYS 59 Cb 0.85 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1f66 h LYS 59 CO 0.07 0.15 0.19 0.28 -2.27 0.00 0.00 179.45 177.87 1f66 h VAL 60 N 0.24 1.08 -0.22 2.00 2.07 -1.17 0.10 116.25 120.35 1f66 h VAL 60 Ca 0.09 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1f66 h VAL 60 Cb 0.02 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1f66 h VAL 60 CO -0.06 0.08 0.00 0.15 0.02 0.00 0.00 177.57 177.76 1f66 h PHE 61 N 0.38 -0.00 -0.11 1.57 3.57 -1.14 -0.68 116.94 120.54 1f66 h PHE 61 Ca 0.10 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1f66 h PHE 61 Cb -0.03 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1f66 h PHE 61 CO -0.05 -0.03 -0.34 -0.07 -2.23 0.00 0.00 178.31 175.59 1f66 h LEU 62 N 0.07 0.22 -0.24 0.59 3.38 -0.33 -1.92 115.31 117.08 1f66 h LEU 62 Ca 0.10 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1f66 h LEU 62 Cb 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1f66 h LEU 62 CO -0.17 0.55 -0.03 -0.33 0.09 0.00 0.00 178.44 178.54 1f66 h GLU 63 N 0.19 0.45 -0.90 1.13 5.08 -0.50 0.81 114.58 120.83 1f66 h GLU 63 Ca 0.02 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1f66 h GLU 63 Cb 0.69 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1f66 h GLU 63 CO 0.05 0.66 0.53 -0.91 -1.00 0.00 0.00 179.01 178.34 1f66 h ASN 64 N 0.20 1.09 0.12 1.42 2.35 -0.86 -1.60 115.58 118.30 1f66 h ASN 64 Ca 0.06 -0.07 -0.23 0.00 -0.55 0.00 0.00 56.30 55.51 1f66 h ASN 64 Cb 0.48 -0.28 0.02 0.00 0.05 0.00 0.00 38.32 38.60 1f66 h ASN 64 CO 0.02 0.85 -0.99 0.58 -1.65 0.00 0.00 177.43 176.24 1f66 h VAL 65 N 1.25 1.39 -0.73 2.81 2.07 -1.24 -3.15 116.25 118.65 1f66 h VAL 65 Ca 0.32 -2.43 -0.05 0.00 0.82 0.00 0.00 66.70 65.35 1f66 h VAL 65 Cb -0.03 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 1f66 h VAL 65 CO -0.06 0.71 0.24 0.40 0.02 0.00 0.00 177.57 178.89 1f66 h ILE 66 N -0.05 1.26 -0.44 4.57 2.04 -0.79 -0.82 117.51 123.29 1f66 h ILE 66 Ca -0.16 -0.88 0.08 0.00 1.00 0.00 0.00 64.86 64.90 1f66 h ILE 66 Cb 1.73 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 38.19 1f66 h ILE 66 CO 0.19 0.35 0.03 -0.09 0.00 0.00 0.00 178.15 178.62 1f66 h ARG 67 N 1.07 0.14 -0.48 2.37 2.43 -1.39 0.19 114.38 118.71 1f66 h ARG 67 Ca 0.24 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.28 1f66 h ARG 67 Cb 0.29 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1f66 h ARG 67 CO -0.01 0.09 -0.15 -0.44 -1.51 0.00 0.00 179.97 177.95 1f66 h ASP 68 N 0.14 0.96 0.08 -3.80 3.32 -1.40 -2.50 116.42 113.23 1f66 h ASP 68 Ca 0.22 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.90 1f66 h ASP 68 Cb 0.30 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1f66 h ASP 68 CO -0.34 1.12 -0.09 0.00 -1.72 0.00 0.00 179.24 178.21 1f66 h ALA 69 N 0.88 -0.17 -0.11 3.45 0.00 0.15 -2.35 119.26 121.10 1f66 h ALA 69 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1f66 h ALA 69 Cb 0.72 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1f66 h ALA 69 CO 0.05 -0.61 0.05 0.28 0.00 0.00 0.00 179.25 179.02 1f66 h VAL 70 N -0.20 1.05 -0.27 0.00 2.07 -0.73 -1.42 116.25 116.75 1f66 h VAL 70 Ca 0.01 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 1f66 h VAL 70 Cb 0.20 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1f66 h VAL 70 CO -0.04 0.05 -0.29 0.74 0.02 0.00 0.00 177.57 178.06 1f66 h THR 71 N 0.16 1.28 -0.26 2.57 2.02 -0.96 -0.96 112.91 116.75 1f66 h THR 71 Ca 0.04 -1.37 -0.14 0.00 0.77 0.00 0.00 66.41 65.71 1f66 h THR 71 Cb 0.03 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1f66 h THR 71 CO -0.00 0.44 -0.41 1.88 0.37 0.00 0.00 175.52 177.79 1f66 h TYR 72 N 0.48 0.76 0.35 3.16 0.05 -0.85 -2.57 116.97 118.35 1f66 h TYR 72 Ca 0.06 -0.23 -0.02 0.00 0.05 0.00 0.00 58.73 58.60 1f66 h TYR 72 Cb 0.75 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.33 1f66 h TYR 72 CO 0.03 0.95 -0.17 1.15 -1.05 0.00 0.00 178.16 179.06 1f66 h THR 73 N 0.52 0.66 -0.96 -2.88 2.02 -0.88 -2.21 112.91 109.19 1f66 h THR 73 Ca 0.04 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.03 1f66 h THR 73 Cb 0.94 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.07 1f66 h THR 73 CO 0.08 0.04 0.63 -0.33 0.37 0.00 0.00 175.52 176.31 1f66 h GLU 74 N -0.60 1.19 -0.00 6.66 5.08 -1.22 0.30 114.58 125.99 1f66 h GLU 74 Ca -0.05 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1f66 h GLU 74 Cb 0.44 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1f66 h GLU 74 CO 0.08 0.79 -0.21 1.25 -1.00 0.00 0.00 179.01 179.92 1f66 h HIS 75 N 1.23 0.00 -0.01 4.33 2.76 -1.39 0.14 115.15 122.21 1f66 h HIS 75 Ca 0.37 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 1f66 h HIS 75 Cb -0.03 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.92 1f66 h HIS 75 CO -0.01 0.21 -0.07 0.00 -1.30 0.00 0.00 177.93 176.77 1f66 n ALA 76 N -2.50 2.72 -3.22 5.26 0.00 -0.04 -4.92 120.51 117.81 1f66 n ALA 76 Ca -0.02 -0.39 -0.16 0.00 0.00 0.00 0.00 53.44 52.87 1f66 n ALA 76 Cb 0.27 -1.22 0.06 0.00 0.00 0.00 0.00 19.45 18.56 1f66 n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1f66 n LYS 77 N -0.27 -5.41 -4.37 0.00 5.02 0.49 -5.02 118.16 108.60 1f66 n LYS 77 Ca 0.17 0.58 -0.29 0.00 -2.02 0.00 0.00 58.31 56.76 1f66 n LYS 77 Cb 0.32 -4.87 -0.06 0.00 -0.02 0.00 0.00 35.03 30.41 1f66 n LYS 77 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1f66 n ARG 78 N -3.57 0.88 0.00 1.97 1.74 -0.93 -5.03 116.66 111.71 1f66 n ARG 78 Ca -0.03 -3.34 0.00 0.00 -0.77 0.00 0.00 57.85 53.70 1f66 n ARG 78 Cb 0.56 0.85 0.00 0.00 -1.02 0.00 0.00 32.46 32.85 1f66 n ARG 78 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1f66 n LYS 79 N -1.19 0.58 -4.04 5.56 5.02 -1.26 -4.54 118.16 118.29 1f66 n LYS 79 Ca -0.18 -0.63 -0.33 0.00 -2.02 0.00 0.00 58.31 55.15 1f66 n LYS 79 Cb 0.58 -0.69 -0.15 0.00 -0.02 0.00 0.00 35.03 34.75 1f66 n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1f66 s THR 80 N -0.24 2.39 0.02 -0.18 2.01 -1.26 -5.08 115.64 113.30 1f66 s THR 80 Ca 0.00 -1.34 -0.30 0.00 0.31 0.00 0.00 61.69 60.36 1f66 s THR 80 Cb 0.00 -2.28 -0.07 0.00 0.01 0.00 0.00 72.50 70.16 1f66 s THR 80 CO 0.00 0.13 1.53 -0.69 -0.69 0.00 0.00 174.62 174.90 1f66 s VAL 81 N 1.20 3.41 0.25 3.82 1.01 -1.26 -4.96 120.40 123.87 1f66 s VAL 81 Ca -0.04 0.79 0.06 0.00 0.00 0.00 0.00 61.98 62.79 1f66 s VAL 81 Cb -0.18 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1f66 s VAL 81 CO -0.06 -0.01 0.31 0.42 0.00 0.00 0.00 175.10 175.76 1f66 s THR 82 N 2.66 4.87 0.25 3.92 -4.23 -1.26 -5.00 115.64 116.86 1f66 s THR 82 Ca 0.69 -1.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.03 1f66 s THR 82 Cb -0.35 -3.66 0.23 0.00 1.34 0.00 0.00 72.50 70.05 1f66 s THR 82 CO 0.29 -0.32 1.71 0.00 -0.54 0.00 0.00 174.62 175.76 1f66 h ALA 83 N 1.26 1.07 -0.83 3.99 0.00 -1.94 0.64 119.26 123.44 1f66 h ALA 83 Ca -0.50 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1f66 h ALA 83 Cb 1.24 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 1f66 h ALA 83 CO 0.60 -0.27 0.55 0.52 0.00 0.00 0.00 179.25 180.65 1f66 h MET 84 N 0.38 1.09 -0.94 0.00 2.07 -1.95 0.11 114.93 115.69 1f66 h MET 84 Ca 0.43 -0.07 0.02 0.00 -2.07 0.00 0.00 59.70 58.01 1f66 h MET 84 Cb 0.70 -0.24 -0.05 0.00 -1.87 0.00 0.00 31.60 30.14 1f66 h MET 84 CO -0.45 0.72 0.62 -0.44 1.07 0.00 0.00 176.91 178.44 1f66 h ASP 85 N 1.12 1.07 -0.47 1.22 3.32 -1.25 0.63 116.42 122.07 1f66 h ASP 85 Ca 0.30 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 1f66 h ASP 85 Cb -0.13 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.15 1f66 h ASP 85 CO -0.06 0.77 -0.14 0.58 -1.72 0.00 0.00 179.24 178.66 1f66 h VAL 86 N 1.26 1.27 -0.56 -1.35 2.07 -0.68 -1.76 116.25 116.50 1f66 h VAL 86 Ca 0.35 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1f66 h VAL 86 Cb -0.11 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1f66 h VAL 86 CO -0.09 0.44 0.21 0.58 0.02 0.00 0.00 177.57 178.73 1f66 h VAL 87 N 0.76 1.23 0.00 2.57 2.07 -0.18 0.72 116.25 123.42 1f66 h VAL 87 Ca 0.11 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 1f66 h VAL 87 Cb 0.69 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1f66 h VAL 87 CO 0.05 0.28 -0.43 1.88 0.02 0.00 0.00 177.57 179.37 1f66 h TYR 88 N 0.77 0.00 -0.06 1.57 0.05 -0.89 -1.73 116.97 116.68 1f66 h TYR 88 Ca 0.19 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.84 1f66 h TYR 88 Cb 0.22 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.97 1f66 h TYR 88 CO 0.01 0.43 -0.43 0.00 -1.05 0.00 0.00 178.16 177.11 1f66 h ALA 89 N 1.57 0.13 -0.72 3.88 0.00 -0.71 -2.10 119.26 121.30 1f66 h ALA 89 Ca -0.00 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.42 1f66 h ALA 89 Cb 0.82 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1f66 h ALA 89 CO 0.06 0.27 0.47 -0.07 0.00 0.00 0.00 179.25 179.98 1f66 h LEU 90 N -0.09 0.84 -0.40 0.00 3.38 -0.78 -2.78 115.31 115.48 1f66 h LEU 90 Ca -0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1f66 h LEU 90 Cb 1.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1f66 h LEU 90 CO 0.09 0.62 0.20 0.50 0.09 0.00 0.00 178.44 179.93 1f66 h LYS 91 N 0.98 0.56 -0.98 1.13 3.64 -1.29 0.14 116.57 120.76 1f66 h LYS 91 Ca 0.26 -0.08 0.18 0.00 -1.27 0.00 0.00 60.65 59.74 1f66 h LYS 91 Cb -0.10 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 31.52 1f66 h LYS 91 CO -0.06 0.48 0.61 0.00 -2.27 0.00 0.00 179.45 178.22 1f66 h ARG 92 N 0.50 0.71 -0.19 1.90 3.08 -1.16 -0.62 114.38 118.60 1f66 h ARG 92 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1f66 h ARG 92 Cb 0.10 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1f66 h ARG 92 CO -0.02 0.47 0.00 1.04 -1.07 0.00 0.00 179.97 180.39 1f66 n GLN 93 N -4.67 1.49 -1.43 0.04 6.02 -0.88 -4.90 117.38 113.05 1f66 n GLN 93 Ca 0.21 -0.75 -0.06 0.00 -0.01 0.00 0.00 57.00 56.39 1f66 n GLN 93 Cb 0.55 -1.22 -0.02 0.00 1.02 0.00 0.00 30.24 30.57 1f66 n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1f66 n GLY 94 N 0.88 0.67 2.18 1.08 0.00 -0.24 -4.94 105.19 104.83 1f66 n GLY 94 Ca 0.09 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 1f66 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f66 n ARG 95 N -2.50 3.51 -1.49 1.61 1.74 0.45 -5.01 116.66 114.97 1f66 n ARG 95 Ca -0.07 -4.25 -0.54 0.00 -0.77 0.00 0.00 57.85 52.23 1f66 n ARG 95 Cb 0.30 -2.25 -0.06 0.00 -1.02 0.00 0.00 32.46 29.43 1f66 n ARG 95 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1f66 n THR 96 N -0.63 0.74 -5.21 0.55 -1.04 -1.24 -4.51 114.28 102.93 1f66 n THR 96 Ca 0.41 -0.18 -0.31 0.00 -2.04 0.00 0.00 64.05 61.93 1f66 n THR 96 Cb 0.87 -0.21 -0.16 0.00 -1.82 0.00 0.00 70.33 69.01 1f66 n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1f66 s LEU 97 N 0.99 2.05 0.11 -4.42 2.96 -1.26 -4.98 118.68 114.13 1f66 s LEU 97 Ca 0.80 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 54.27 1f66 s LEU 97 Cb -1.07 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 1f66 s LEU 97 CO 0.55 0.24 0.04 -0.31 -1.32 0.00 0.00 176.35 175.55 1f66 s TYR 98 N -0.19 3.04 0.00 5.38 2.02 -1.26 -4.74 117.35 121.59 1f66 s TYR 98 Ca -0.02 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 1f66 s TYR 98 Cb -0.13 -1.52 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 1f66 s TYR 98 CO 0.03 0.50 0.00 0.41 -1.57 0.00 0.00 175.55 174.92 1f66 n GLY 99 N 0.27 1.03 1.19 0.71 0.00 -1.26 -4.97 105.19 102.16 1f66 n GLY 99 Ca -0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.95 1f66 n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1f66 n PHE 100 N -1.19 0.00 0.00 1.61 3.01 -1.26 -5.12 117.46 114.51 1f66 n PHE 100 Ca 0.00 -0.42 0.00 0.00 1.01 0.00 0.00 57.45 58.04 1f66 n PHE 100 Cb 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.34 1f66 n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1f66 n GLY 101 N 0.28 0.79 3.36 1.37 0.00 -1.26 -4.55 105.19 105.18 1f66 n GLY 101 Ca 0.05 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1f66 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93