#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6o n GLN 7 N 0.00 0.65 0.22 3.49 7.27 -1.26 -3.48 117.38 124.28 3f6o n GLN 7 Ca 0.00 0.43 0.08 0.00 0.07 0.00 0.00 57.00 57.58 3f6o n GLN 7 Cb 0.00 -1.72 0.53 0.00 2.41 0.00 0.00 30.24 31.46 3f6o n GLN 7 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3f6o h LEU 8 N -0.51 0.00 0.21 1.69 3.38 -1.99 -2.56 115.31 115.53 3f6o h LEU 8 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3f6o h LEU 8 Cb 1.64 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 3f6o h LEU 8 CO -0.08 0.24 -0.21 0.78 0.09 0.00 0.00 178.44 179.26 3f6o h ASN 9 N 0.00 -0.56 -0.58 -0.43 2.35 -2.00 -1.05 115.58 113.31 3f6o h ASN 9 Ca -0.00 0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 3f6o h ASN 9 Cb 0.52 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 3f6o h ASN 9 CO 0.03 -0.31 0.13 1.23 -1.65 0.00 0.00 177.43 176.86 3f6o h GLY 10 N -0.45 1.01 0.73 2.83 0.00 -1.57 -0.07 103.07 105.54 3f6o h GLY 10 Ca -0.00 -0.64 0.04 0.00 0.00 0.00 0.00 47.33 46.72 3f6o h GLY 10 CO -0.05 0.60 0.14 -2.22 0.00 0.00 0.00 176.54 175.01 3f6o h ILE 11 N 0.85 0.92 0.06 2.60 2.04 -1.33 -0.48 117.51 122.18 3f6o h ILE 11 Ca 0.18 -0.10 -0.25 0.00 1.00 0.00 0.00 64.86 65.68 3f6o h ILE 11 Cb 0.36 0.59 0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3f6o h ILE 11 CO 0.00 0.06 -1.08 -0.26 0.00 0.00 0.00 178.15 176.87 3f6o h PHE 12 N 0.31 0.64 -0.77 1.37 0.04 -1.14 -2.91 116.94 114.47 3f6o h PHE 12 Ca 0.16 -0.39 0.02 0.00 2.80 0.00 0.00 57.97 60.56 3f6o h PHE 12 Cb 0.12 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 3f6o h PHE 12 CO -0.13 1.24 0.51 0.37 -0.60 0.00 0.00 178.31 179.70 3f6o h GLN 13 N 0.19 0.97 -0.71 1.51 5.75 -0.86 -2.12 115.11 119.84 3f6o h GLN 13 Ca -0.11 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.35 3f6o h GLN 13 Cb 1.75 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 30.04 3f6o h GLN 13 CO 0.19 0.64 0.45 0.00 -2.65 0.00 0.00 178.83 177.46 3f6o h ALA 14 N 1.54 0.92 0.00 3.38 0.00 -0.95 -2.35 119.26 121.79 3f6o h ALA 14 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3f6o h ALA 14 Cb -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3f6o h ALA 14 CO -0.07 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.70 3f6o n LEU 15 N -4.64 0.08 0.12 0.00 4.77 -0.84 -3.14 117.00 113.34 3f6o n LEU 15 Ca 0.07 0.52 0.12 0.00 -0.03 0.00 0.00 56.01 56.69 3f6o n LEU 15 Cb 0.07 -0.50 0.45 0.00 -2.33 0.00 0.00 43.42 41.11 3f6o n LEU 15 CO 0.34 -0.21 0.87 0.00 -1.33 0.00 0.00 177.39 177.06 3f6o n ALA 16 N -1.53 1.94 -2.79 -1.18 0.00 -0.88 -4.73 120.51 111.34 3f6o n ALA 16 Ca 0.04 0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.17 3f6o n ALA 16 Cb 0.22 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 3f6o n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3f6o s ASP 17 N -4.37 5.96 0.28 0.00 2.15 -1.19 -5.02 116.67 114.47 3f6o s ASP 17 Ca 0.07 0.23 0.02 0.00 0.43 0.00 0.00 52.55 53.30 3f6o s ASP 17 Cb 0.11 -1.98 0.39 0.00 -0.30 0.00 0.00 42.92 41.14 3f6o s ASP 17 CO 0.49 0.25 1.71 1.55 -0.17 0.00 0.00 175.17 179.00 3f6o h PRO 18 N 6.12 0.47 -0.54 4.34 0.13 -1.90 -1.81 132.00 138.82 3f6o h PRO 18 Ca -0.44 -0.19 -0.02 0.00 -0.87 0.00 0.00 66.00 64.48 3f6o h PRO 18 Cb 1.18 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 3f6o h PRO 18 CO 0.68 0.71 0.25 1.15 -0.23 0.00 0.00 178.00 180.56 3f6o h THR 19 N 0.42 1.20 -0.30 1.56 2.02 -1.96 -1.16 112.91 114.68 3f6o h THR 19 Ca 0.06 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 3f6o h THR 19 Cb 0.70 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3f6o h THR 19 CO 0.05 0.23 -0.01 0.03 0.37 0.00 0.00 175.52 176.20 3f6o h ARG 20 N 0.72 0.54 -0.71 6.66 3.08 -1.80 -0.99 114.38 121.88 3f6o h ARG 20 Ca 0.18 -0.18 0.12 0.00 0.07 0.00 0.00 59.98 60.18 3f6o h ARG 20 Cb 0.13 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.05 3f6o h ARG 20 CO -0.02 0.69 0.29 0.00 -1.07 0.00 0.00 179.97 179.86 3f6o h ARG 21 N 0.33 0.45 -0.36 0.04 3.08 -1.26 -1.00 114.38 115.67 3f6o h ARG 21 Ca 0.09 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 3f6o h ARG 21 Cb 0.45 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3f6o h ARG 21 CO 0.02 0.30 -0.24 0.00 -1.07 0.00 0.00 179.97 178.98 3f6o h ALA 22 N 1.49 0.91 -0.61 0.04 0.00 -0.92 -0.69 119.26 119.48 3f6o h ALA 22 Ca 0.38 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3f6o h ALA 22 Cb 0.52 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3f6o h ALA 22 CO -0.35 0.62 0.23 0.28 0.00 0.00 0.00 179.25 180.02 3f6o h VAL 23 N 0.62 1.24 -0.37 0.00 2.07 -0.92 -1.66 116.25 117.22 3f6o h VAL 23 Ca 0.09 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 3f6o h VAL 23 Cb 0.74 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3f6o h VAL 23 CO 0.06 0.30 -0.14 -0.07 0.02 0.00 0.00 177.57 177.74 3f6o h LEU 24 N 0.86 0.66 -0.22 2.57 3.38 -0.87 -0.75 115.31 120.95 3f6o h LEU 24 Ca 0.20 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3f6o h LEU 24 Cb 0.24 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3f6o h LEU 24 CO -0.01 0.82 -0.09 1.23 0.09 0.00 0.00 178.44 180.48 3f6o h GLY 25 N 0.97 0.11 0.95 0.83 0.00 -0.85 -0.61 103.07 104.48 3f6o h GLY 25 Ca 0.10 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 3f6o h GLY 25 CO 0.04 -0.11 0.17 -0.09 0.00 0.00 0.00 176.54 176.55 3f6o h ARG 26 N -0.05 0.61 0.00 4.80 9.65 -0.93 -2.84 114.38 125.62 3f6o h ARG 26 Ca 0.11 -0.11 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 3f6o h ARG 26 Cb 0.22 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 3f6o h ARG 26 CO -0.25 0.56 -0.18 -0.07 2.80 0.00 0.00 179.97 182.83 3f6o h LEU 27 N 0.52 0.00 -2.13 3.80 3.38 -0.99 -1.03 115.31 118.87 3f6o h LEU 27 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3f6o h LEU 27 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3f6o h LEU 27 CO -0.01 0.18 -0.01 0.28 0.09 0.00 0.00 178.44 178.97 3f6o h SER 28 N 0.00 0.00 1.25 -0.43 0.02 -0.85 -2.39 113.55 111.15 3f6o h SER 28 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3f6o h SER 28 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3f6o h SER 28 CO 0.02 0.01 0.00 0.54 -1.14 0.00 0.00 176.83 176.26 3f6o n ARG 29 N -4.31 0.16 0.00 3.45 1.74 -0.39 -5.02 116.66 112.29 3f6o n ARG 29 Ca -0.03 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3f6o n ARG 29 Cb 0.10 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 3f6o n ARG 29 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f6o n GLY 30 N 1.27 3.64 3.70 -0.13 0.00 -0.90 -5.14 105.19 107.64 3f6o n GLY 30 Ca 0.06 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 3f6o n GLY 30 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3f6o s PRO 31 N -2.42 1.23 -0.03 1.61 0.02 -1.26 -4.29 135.00 129.86 3f6o s PRO 31 Ca 0.00 0.98 -0.29 0.00 0.02 0.00 0.00 61.00 61.71 3f6o s PRO 31 Cb 0.00 -1.79 0.07 0.00 0.02 0.00 0.00 34.50 32.79 3f6o s PRO 31 CO 0.00 -2.30 0.63 0.00 -0.33 0.00 0.00 177.00 175.00 3f6o s ALA 32 N -2.85 -1.65 0.60 -1.55 0.00 -0.68 -4.98 121.76 110.66 3f6o s ALA 32 Ca 0.64 1.14 -0.15 0.00 0.00 0.00 0.00 51.96 53.59 3f6o s ALA 32 Cb -0.19 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 3f6o s ALA 32 CO 0.58 -0.40 1.05 0.95 0.00 0.00 0.00 175.76 177.94 3f6o s THR 33 N -1.46 3.95 0.23 0.00 -4.23 -1.26 -0.08 115.64 112.79 3f6o s THR 33 Ca -0.10 0.86 -0.07 0.00 -1.18 0.00 0.00 61.69 61.20 3f6o s THR 33 Cb -0.01 -3.43 0.19 0.00 1.34 0.00 0.00 72.50 70.59 3f6o s THR 33 CO 0.07 -0.60 1.71 0.58 -0.54 0.00 0.00 174.62 175.84 3f6o h VAL 34 N 0.26 0.62 -0.60 2.29 2.07 -1.64 -0.32 116.25 118.93 3f6o h VAL 34 Ca -0.46 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.05 3f6o h VAL 34 Cb 1.21 0.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 3f6o h VAL 34 CO 0.58 0.06 0.20 0.28 0.02 0.00 0.00 177.57 178.70 3f6o h SER 35 N 0.31 0.16 -0.23 0.57 0.02 -1.93 0.88 113.55 113.33 3f6o h SER 35 Ca 0.36 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.38 3f6o h SER 35 Cb 0.56 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 3f6o h SER 35 CO -0.43 0.10 0.08 -0.33 -1.14 0.00 0.00 176.83 175.11 3f6o h GLU 36 N 0.36 0.35 -0.37 3.45 5.08 -1.77 -3.07 114.58 118.61 3f6o h GLU 36 Ca 0.31 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 3f6o h GLU 36 Cb 0.40 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3f6o h GLU 36 CO -0.33 0.43 0.07 -0.07 -1.00 0.00 0.00 179.01 178.11 3f6o h LEU 37 N 0.21 0.51 -1.02 1.33 3.38 -0.55 -2.84 115.31 116.32 3f6o h LEU 37 Ca 0.07 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3f6o h LEU 37 Cb 0.22 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3f6o h LEU 37 CO -0.00 0.53 -0.29 0.00 0.09 0.00 0.00 178.44 178.76 3f6o h ALA 38 N 1.54 1.01 -0.68 1.53 0.00 -0.77 -3.36 119.26 118.54 3f6o h ALA 38 Ca 0.13 -0.27 0.14 0.00 0.00 0.00 0.00 54.91 54.91 3f6o h ALA 38 Cb 0.24 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 3f6o h ALA 38 CO -0.00 0.37 0.15 0.87 0.00 0.00 0.00 179.25 180.63 3f6o h LYS 39 N 0.00 0.25 0.00 0.00 1.57 -1.41 -2.45 116.57 114.53 3f6o h LYS 39 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3f6o h LYS 39 Cb 0.82 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3f6o h LYS 39 CO 0.04 0.17 0.00 -1.35 -0.57 0.00 0.00 179.45 177.73 3f6o h PRO 40 N 0.26 0.00 -5.90 3.15 0.11 -1.79 -3.45 132.00 124.37 3f6o h PRO 40 Ca 0.37 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.81 3f6o h PRO 40 Cb 0.60 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.59 3f6o h PRO 40 CO -0.47 0.00 -0.57 -0.06 -0.21 0.00 0.00 178.00 176.69 3f6o s PHE 41 N -3.44 3.30 -1.31 0.65 0.08 -0.92 -5.01 117.98 111.32 3f6o s PHE 41 Ca 0.02 0.28 -0.05 0.00 0.12 0.00 0.00 56.93 57.30 3f6o s PHE 41 Cb 0.09 -1.81 0.13 0.00 -0.57 0.00 0.00 43.02 40.86 3f6o s PHE 41 CO 0.38 0.56 2.33 -3.47 -0.10 0.00 0.00 175.22 174.92 3f6o n ASP 42 N 1.82 7.89 -4.05 1.36 -0.08 -1.26 -4.93 116.55 117.30 3f6o n ASP 42 Ca -0.17 -3.17 -0.20 0.00 -1.51 0.00 0.00 54.79 49.74 3f6o n ASP 42 Cb 0.54 -1.36 -0.15 0.00 2.34 0.00 0.00 41.12 42.49 3f6o n ASP 42 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 3f6o s MET 43 N -1.25 0.87 0.25 -0.67 1.75 -1.26 -5.11 119.30 113.88 3f6o s MET 43 Ca 0.53 -0.39 -0.31 0.00 -1.25 0.00 0.00 55.69 54.27 3f6o s MET 43 Cb 0.18 -0.84 -0.13 0.00 2.84 0.00 0.00 34.83 36.88 3f6o s MET 43 CO -0.09 0.23 1.36 0.00 -0.65 0.00 0.00 175.02 175.87 3f6o n ALA 44 N 2.80 0.98 -0.26 4.11 0.00 -1.26 -4.79 120.51 122.08 3f6o n ALA 44 Ca -0.14 0.41 0.07 0.00 0.00 0.00 0.00 53.44 53.78 3f6o n ALA 44 Cb 0.56 -2.25 0.20 0.00 0.00 0.00 0.00 19.45 17.96 3f6o n ALA 44 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3f6o h LEU 45 N 3.83 -0.01 -0.69 0.00 5.85 -1.98 -1.00 115.31 121.31 3f6o h LEU 45 Ca -0.45 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.47 3f6o h LEU 45 Cb 1.28 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.48 3f6o h LEU 45 CO 0.73 -0.06 0.41 -0.65 -0.34 0.00 0.00 178.44 178.52 3f6o h PRO 46 N 0.25 0.76 -0.55 5.25 0.11 -1.99 0.31 132.00 136.13 3f6o h PRO 46 Ca 0.44 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.50 3f6o h PRO 46 Cb 0.78 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.69 3f6o h PRO 46 CO -0.54 0.50 0.34 0.77 -0.21 0.00 0.00 178.00 178.86 3f6o h SER 47 N 0.78 0.66 -0.29 -2.05 0.02 -1.71 -2.74 113.55 108.23 3f6o h SER 47 Ca 0.29 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3f6o h SER 47 Cb 0.10 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3f6o h SER 47 CO -0.14 0.52 0.19 0.15 -1.14 0.00 0.00 176.83 176.40 3f6o h PHE 48 N 0.75 0.37 -0.91 3.45 3.57 -0.12 -2.81 116.94 121.24 3f6o h PHE 48 Ca 0.20 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.86 3f6o h PHE 48 Cb -0.02 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 38.52 3f6o h PHE 48 CO -0.03 0.25 0.58 0.52 -2.23 0.00 0.00 178.31 177.41 3f6o h MET 49 N 0.38 0.65 -0.41 1.11 2.86 -0.37 -0.44 114.93 118.71 3f6o h MET 49 Ca 0.10 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3f6o h MET 49 Cb -0.02 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 3f6o h MET 49 CO -0.02 0.43 0.07 0.87 1.06 0.00 0.00 176.91 179.32 3f6o h LYS 50 N 0.67 0.63 -0.44 1.72 6.56 -1.22 0.27 116.57 124.76 3f6o h LYS 50 Ca 0.47 -0.12 -0.07 0.00 -1.06 0.00 0.00 60.65 59.87 3f6o h LYS 50 Cb 0.80 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 32.35 3f6o h LYS 50 CO -0.22 0.60 0.01 0.45 -2.06 0.00 0.00 179.45 178.23 3f6o h HIS 51 N 0.61 0.83 -0.20 -1.35 -0.00 -1.02 -1.55 115.15 112.46 3f6o h HIS 51 Ca 0.14 -0.14 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 3f6o h HIS 51 Cb 0.28 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 3f6o h HIS 51 CO 0.01 0.81 0.11 0.82 -0.00 0.00 0.00 177.93 179.69 3f6o h ILE 52 N 0.61 1.10 -0.57 2.45 1.08 -0.90 -0.96 117.51 120.32 3f6o h ILE 52 Ca 0.12 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.36 3f6o h ILE 52 Cb 0.48 0.92 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 3f6o h ILE 52 CO 0.02 0.10 0.33 -0.74 -0.69 0.00 0.00 178.15 177.17 3f6o h HIS 53 N 0.22 0.62 -0.65 1.37 2.76 -0.47 -0.42 115.15 118.59 3f6o h HIS 53 Ca 0.07 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3f6o h HIS 53 Cb 0.06 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 28.79 3f6o h HIS 53 CO -0.04 0.34 0.37 0.35 -1.30 0.00 0.00 177.93 177.65 3f6o h PHE 54 N 0.65 0.88 -0.87 5.26 3.57 -1.08 -0.21 116.94 125.13 3f6o h PHE 54 Ca 0.24 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.73 3f6o h PHE 54 Cb 0.06 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 3f6o h PHE 54 CO -0.07 0.61 0.57 -0.07 -2.23 0.00 0.00 178.31 177.12 3f6o h LEU 55 N 0.89 1.00 -0.18 0.59 3.38 -0.74 0.93 115.31 121.18 3f6o h LEU 55 Ca 0.23 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 3f6o h LEU 55 Cb 0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3f6o h LEU 55 CO -0.04 0.73 -0.12 -0.08 0.09 0.00 0.00 178.44 179.02 3f6o h GLU 56 N 1.18 0.39 -0.45 1.13 4.81 -0.86 -1.01 114.58 119.78 3f6o h GLU 56 Ca 0.32 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3f6o h GLU 56 Cb -0.13 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3f6o h GLU 56 CO -0.07 0.72 0.05 0.22 -0.73 0.00 0.00 179.01 179.20 3f6o h ASP 57 N 0.06 0.66 1.28 1.04 3.58 -0.81 -2.18 116.42 120.05 3f6o h ASP 57 Ca 0.04 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.36 3f6o h ASP 57 Cb 0.62 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.50 3f6o h ASP 57 CO 0.03 0.69 0.00 -1.54 -2.88 0.00 0.00 179.24 175.55 3f6o n SER 58 N -4.26 0.77 0.00 2.28 3.41 0.30 -4.93 113.62 111.19 3f6o n SER 58 Ca 0.03 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 3f6o n SER 58 Cb 0.25 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 3f6o n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f6o n GLY 59 N 0.96 0.65 0.15 5.00 0.00 -0.82 -4.41 105.19 106.72 3f6o n GLY 59 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3f6o n GLY 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3f6o h TRP 60 N 0.00 0.19 -3.46 1.61 4.06 -1.41 -3.42 115.95 113.51 3f6o h TRP 60 Ca 0.00 -0.07 -0.31 0.00 2.06 0.00 0.00 58.89 60.57 3f6o h TRP 60 Cb 0.00 -0.03 -0.15 0.00 -1.00 0.00 0.00 29.16 27.98 3f6o h TRP 60 CO 0.00 0.73 -0.71 0.96 -3.56 0.00 0.00 178.44 175.86 3f6o s ILE 61 N -3.66 1.09 0.10 1.49 -4.36 -1.09 -0.41 121.20 114.37 3f6o s ILE 61 Ca -0.03 -2.03 0.09 0.00 -0.26 0.00 0.00 60.65 58.42 3f6o s ILE 61 Cb 0.12 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.98 3f6o s ILE 61 CO 0.79 -0.76 -0.20 0.00 0.24 0.00 0.00 174.94 175.01 3f6o s ARG 62 N -3.73 1.79 0.13 0.37 1.70 0.28 -4.40 118.95 115.09 3f6o s ARG 62 Ca 0.16 -1.16 0.03 0.00 -0.47 0.00 0.00 55.73 54.29 3f6o s ARG 62 Cb 0.03 -2.09 -0.04 0.00 -0.57 0.00 0.00 34.95 32.27 3f6o s ARG 62 CO -0.00 0.49 -0.08 0.95 -1.08 0.00 0.00 175.30 175.57 3f6o s THR 63 N -1.07 0.96 -0.14 4.99 -4.23 -1.26 -0.89 115.64 113.99 3f6o s THR 63 Ca 0.16 -2.01 -0.10 0.00 -1.18 0.00 0.00 61.69 58.57 3f6o s THR 63 Cb -0.10 -1.79 0.05 0.00 1.34 0.00 0.00 72.50 72.00 3f6o s THR 63 CO 0.08 -0.79 0.36 -2.28 -0.54 0.00 0.00 174.62 171.45 3f6o s HIS 64 N -3.46 -0.47 -0.14 3.99 5.04 -0.50 -4.97 115.29 114.78 3f6o s HIS 64 Ca 0.15 1.07 -0.04 0.00 -1.54 0.00 0.00 55.06 54.69 3f6o s HIS 64 Cb 0.04 0.17 -0.03 0.00 0.04 0.00 0.00 32.58 32.80 3f6o s HIS 64 CO -0.02 -0.26 -0.00 0.21 -2.34 0.00 0.00 174.74 172.33 3f6o s LYS 65 N 0.90 3.54 -0.05 2.88 2.20 -1.26 -0.84 119.74 127.11 3f6o s LYS 65 Ca -0.06 -0.44 -0.01 0.00 -0.36 0.00 0.00 55.97 55.10 3f6o s LYS 65 Cb -0.06 -2.95 0.03 0.00 -1.51 0.00 0.00 37.83 33.33 3f6o s LYS 65 CO -0.07 0.39 0.01 -1.14 -0.36 0.00 0.00 175.35 174.19 3f6o s GLN 66 N -0.01 0.37 7.82 4.03 -0.44 -0.62 -5.00 119.66 125.81 3f6o s GLN 66 Ca 0.03 0.16 0.00 0.00 -2.50 0.00 0.00 55.36 53.05 3f6o s GLN 66 Cb -0.13 -0.74 0.00 0.00 -1.64 0.00 0.00 33.01 30.51 3f6o s GLN 66 CO 0.02 -0.26 0.00 0.41 0.50 0.00 0.00 175.29 175.96 3f6o n GLY 67 N 4.91 3.43 1.29 2.59 0.00 -1.26 -2.06 105.19 114.09 3f6o n GLY 67 Ca -0.11 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 45.89 3f6o n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f6o n ARG 68 N 13.41 3.50 -4.27 1.61 1.74 -1.26 -4.96 116.66 126.42 3f6o n ARG 68 Ca 0.00 -2.75 -0.30 0.00 -0.77 0.00 0.00 57.85 54.03 3f6o n ARG 68 Cb 0.00 -1.80 -0.17 0.00 -1.02 0.00 0.00 32.46 29.48 3f6o n ARG 68 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3f6o s VAL 69 N -1.96 1.64 -0.30 1.55 1.01 -0.88 -5.10 120.40 116.36 3f6o s VAL 69 Ca 0.45 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 3f6o s VAL 69 Cb 0.30 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 3f6o s VAL 69 CO 0.19 0.47 0.14 -0.60 0.00 0.00 0.00 175.10 175.30 3f6o s ARG 70 N 1.20 3.40 -0.15 2.72 3.52 -1.26 -1.58 118.95 126.80 3f6o s ARG 70 Ca -0.01 -0.67 -0.08 0.00 -0.13 0.00 0.00 55.73 54.85 3f6o s ARG 70 Cb -0.14 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 3f6o s ARG 70 CO -0.06 -0.37 0.13 0.99 -0.81 0.00 0.00 175.30 175.17 3f6o s THR 71 N 1.61 5.39 -0.02 4.11 2.01 -0.02 -1.50 115.64 127.23 3f6o s THR 71 Ca 0.05 0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.27 3f6o s THR 71 Cb -0.17 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 3f6o s THR 71 CO 0.06 0.55 -0.15 0.00 -0.69 0.00 0.00 174.62 174.39 3f6o s ALA 73 N -0.80 0.54 0.40 0.00 0.00 -0.07 -1.68 121.76 120.14 3f6o s ALA 73 Ca 0.13 -0.29 -0.25 0.00 0.00 0.00 0.00 51.96 51.54 3f6o s ALA 73 Cb -0.11 -0.13 -0.08 0.00 0.00 0.00 0.00 23.12 22.80 3f6o s ALA 73 CO 0.02 0.13 1.18 -1.50 0.00 0.00 0.00 175.76 175.59 3f6o s ILE 74 N -0.19 3.13 0.09 0.00 2.07 -1.26 -0.55 121.20 124.49 3f6o s ILE 74 Ca 0.02 0.95 0.01 0.00 -1.41 0.00 0.00 60.65 60.22 3f6o s ILE 74 Cb -0.03 -3.53 -0.04 0.00 0.13 0.00 0.00 42.46 38.99 3f6o s ILE 74 CO -0.00 0.09 0.22 -1.61 -1.91 0.00 0.00 174.94 171.72 3f6o s GLU 75 N -2.30 3.38 0.02 3.50 0.41 0.46 -4.82 118.70 119.34 3f6o s GLU 75 Ca 0.57 -0.52 -0.18 0.00 -0.41 0.00 0.00 54.97 54.43 3f6o s GLU 75 Cb -0.31 -2.98 -0.26 0.00 -1.78 0.00 0.00 34.13 28.80 3f6o s GLU 75 CO 0.39 0.58 1.07 1.57 -0.49 0.00 0.00 175.26 178.38 3f6o h LYS 76 N 2.79 0.48 -0.75 1.61 2.10 -1.90 -3.40 116.57 117.51 3f6o h LYS 76 Ca -0.46 -0.59 0.08 0.00 -2.00 0.00 0.00 60.65 57.67 3f6o h LYS 76 Cb 1.17 0.19 -0.06 0.00 -0.90 0.00 0.00 32.23 32.62 3f6o h LYS 76 CO 0.73 1.23 0.42 1.49 -2.00 0.00 0.00 179.45 181.31 3f6o h GLU 77 N 0.01 0.71 -0.85 0.07 4.81 -1.96 -2.58 114.58 114.80 3f6o h GLU 77 Ca -0.12 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3f6o h GLU 77 Cb 1.57 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.75 3f6o h GLU 77 CO 0.17 0.47 0.56 -1.35 -0.73 0.00 0.00 179.01 178.12 3f6o h PRO 78 N 0.74 1.12 -0.04 0.92 0.11 -1.81 0.11 132.00 133.15 3f6o h PRO 78 Ca 0.35 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.39 3f6o h PRO 78 Cb 0.28 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 3f6o h PRO 78 CO -0.22 0.75 0.01 0.74 -0.21 0.00 0.00 178.00 179.07 3f6o h PHE 79 N 1.16 0.01 -0.87 0.65 0.04 -1.70 0.42 116.94 116.63 3f6o h PHE 79 Ca 0.31 0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.18 3f6o h PHE 79 Cb -0.12 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 37.95 3f6o h PHE 79 CO 0.00 0.00 0.52 1.15 -0.60 0.00 0.00 178.31 179.38 3f6o h THR 80 N 0.02 0.92 -0.13 -1.55 2.02 -1.35 0.17 112.91 113.02 3f6o h THR 80 Ca 0.02 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 3f6o h THR 80 Cb 0.02 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3f6o h THR 80 CO -0.03 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.02 3f6o h ALA 81 N 1.47 0.17 -0.15 6.16 0.00 -0.16 0.11 119.26 126.87 3f6o h ALA 81 Ca 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3f6o h ALA 81 Cb 0.38 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3f6o h ALA 81 CO -0.25 -0.14 0.10 0.28 0.00 0.00 0.00 179.25 179.24 3f6o h VAL 82 N -0.04 1.05 -1.00 0.00 2.07 -0.69 -1.05 116.25 116.58 3f6o h VAL 82 Ca 0.04 -0.12 0.15 0.00 0.82 0.00 0.00 66.70 67.59 3f6o h VAL 82 Cb 0.36 0.86 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 3f6o h VAL 82 CO 0.01 0.05 0.62 -0.33 0.02 0.00 0.00 177.57 177.94 3f6o h GLU 83 N 0.19 0.87 -0.40 1.57 5.08 -0.93 -1.24 114.58 119.73 3f6o h GLU 83 Ca 0.05 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3f6o h GLU 83 Cb -0.00 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3f6o h GLU 83 CO -0.01 0.58 0.12 0.00 -1.00 0.00 0.00 179.01 178.70 3f6o h ALA 84 N 1.58 0.52 -0.51 3.43 0.00 -0.24 -0.24 119.26 123.80 3f6o h ALA 84 Ca 0.53 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3f6o h ALA 84 Cb 0.66 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3f6o h ALA 84 CO -0.31 0.17 0.32 2.35 0.00 0.00 0.00 179.25 181.78 3f6o h TRP 85 N 0.50 0.67 -0.25 0.00 7.01 -0.47 -0.27 115.95 123.13 3f6o h TRP 85 Ca 0.13 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 3f6o h TRP 85 Cb 0.27 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 3f6o h TRP 85 CO 0.01 0.45 0.12 -0.07 -2.79 0.00 0.00 178.44 176.16 3f6o h LEU 86 N 0.69 0.33 -1.09 0.65 3.38 -1.18 -1.67 115.31 116.43 3f6o h LEU 86 Ca 0.19 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3f6o h LEU 86 Cb -0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3f6o h LEU 86 CO -0.04 0.37 0.25 0.00 0.09 0.00 0.00 178.44 179.11 3f6o h ALA 87 N 0.98 1.28 -0.44 1.53 0.00 -0.88 -0.77 119.26 120.96 3f6o h ALA 87 Ca 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3f6o h ALA 87 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3f6o h ALA 87 CO -0.01 0.53 0.21 1.49 0.00 0.00 0.00 179.25 181.48 3f6o h GLU 88 N 0.88 0.63 -0.43 0.00 4.81 -0.74 -1.24 114.58 118.49 3f6o h GLU 88 Ca 0.21 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3f6o h GLU 88 Cb 0.17 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3f6o h GLU 88 CO -0.02 0.54 0.19 1.96 -0.73 0.00 0.00 179.01 180.95 3f6o h GLN 89 N 0.57 0.63 -0.79 1.92 1.08 -0.87 -2.16 115.11 115.49 3f6o h GLN 89 Ca 0.15 -0.10 0.02 0.00 -1.45 0.00 0.00 58.65 57.27 3f6o h GLN 89 Cb 0.12 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.40 3f6o h GLN 89 CO -0.02 0.56 0.51 0.37 -0.95 0.00 0.00 178.83 179.30 3f6o h GLN 90 N 0.55 0.98 -0.62 1.46 5.75 -0.96 -1.19 115.11 121.09 3f6o h GLN 90 Ca 0.15 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.51 3f6o h GLN 90 Cb 0.16 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 3f6o h GLN 90 CO -0.02 0.65 0.10 1.49 -2.65 0.00 0.00 178.83 178.40 3f6o h GLU 91 N 1.01 1.00 -0.72 1.69 4.81 -1.12 -2.49 114.58 118.76 3f6o h GLU 91 Ca 0.31 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3f6o h GLU 91 Cb -0.03 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 3f6o h GLU 91 CO -0.10 0.92 0.36 -0.07 -0.73 0.00 0.00 179.01 179.40 3f6o h LEU 92 N 0.94 0.92 -0.96 1.64 3.38 -0.82 -2.65 115.31 117.76 3f6o h LEU 92 Ca 0.19 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3f6o h LEU 92 Cb 0.41 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3f6o h LEU 92 CO 0.01 0.78 0.63 -0.50 0.09 0.00 0.00 178.44 179.46 3f6o h TRP 93 N 1.00 1.20 0.00 1.13 6.55 -0.82 -2.70 115.95 122.32 3f6o h TRP 93 Ca 0.25 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 60.11 3f6o h TRP 93 Cb 0.09 -0.41 -0.00 0.00 -0.86 0.00 0.00 29.16 27.99 3f6o h TRP 93 CO 0.00 0.75 -0.02 0.93 -1.05 0.00 0.00 178.44 179.06 3f6o h GLU 94 N 1.29 0.00 -6.66 0.49 5.08 -1.21 -3.46 114.58 110.11 3f6o h GLU 94 Ca 0.35 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.19 3f6o h GLU 94 Cb -0.14 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.15 3f6o h GLU 94 CO -0.08 0.02 0.71 0.45 -1.00 0.00 0.00 179.01 179.11 3f6o s SER 95 N -5.81 6.80 0.00 1.42 0.15 -1.02 -5.11 113.70 110.12 3f6o s SER 95 Ca 0.02 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.14 3f6o s SER 95 Cb 0.08 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3f6o s SER 95 CO 0.57 -0.62 0.21 -2.11 1.20 0.00 0.00 173.24 172.49