#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rfy h GLU 13 N 0.00 0.18 -3.18 5.55 5.08 -1.94 -3.40 114.58 116.87 1rfy h GLU 13 Ca 0.00 -0.31 -0.68 0.00 -1.00 0.00 0.00 59.36 57.37 1rfy h GLU 13 Cb 0.00 0.11 -0.37 0.00 0.50 0.00 0.00 28.75 29.00 1rfy h GLU 13 CO 0.00 1.15 -0.19 1.28 -1.00 0.00 0.00 179.01 180.25 1rfy n LEU 14 N -4.19 4.03 -0.35 1.33 4.77 -1.26 -4.95 117.00 116.38 1rfy n LEU 14 Ca -0.19 -5.17 0.22 0.00 -0.03 0.00 0.00 56.01 50.83 1rfy n LEU 14 Cb 0.76 -1.01 0.47 0.00 -2.33 0.00 0.00 43.42 41.31 1rfy n LEU 14 CO 0.39 1.64 1.17 0.08 -1.33 0.00 0.00 177.39 179.35 1rfy h ARG 15 N 5.72 0.41 -0.15 3.23 -0.00 -2.00 -0.67 114.38 120.91 1rfy h ARG 15 Ca 0.16 -0.02 0.04 0.00 -0.00 0.00 0.00 59.98 60.16 1rfy h ARG 15 Cb 0.78 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 30.65 1rfy h ARG 15 CO 0.85 0.27 0.22 -1.35 -0.00 0.00 0.00 179.97 179.96 1rfy h PRO 16 N 0.42 0.00 0.00 0.08 0.11 -1.99 -0.69 132.00 129.94 1rfy h PRO 16 Ca 0.67 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.74 1rfy h PRO 16 Cb 1.53 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.63 1rfy h PRO 16 CO -0.45 0.00 -0.20 -0.07 -0.21 0.00 0.00 178.00 177.07 1rfy h LEU 17 N 0.00 0.00 0.02 2.35 3.38 -1.55 -1.88 115.31 117.63 1rfy h LEU 17 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1rfy h LEU 17 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1rfy h LEU 17 CO -0.00 0.20 -0.01 0.40 0.09 0.00 0.00 178.44 179.12 1rfy h ILE 18 N 0.00 1.19 -0.38 1.22 2.04 -1.29 -1.66 117.51 118.63 1rfy h ILE 18 Ca -0.00 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.14 1rfy h ILE 18 Cb 0.40 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1rfy h ILE 18 CO 0.03 0.16 -0.12 1.23 0.00 0.00 0.00 178.15 179.44 1rfy h GLY 19 N -0.29 0.72 1.13 5.37 0.00 -1.64 -2.48 103.07 105.88 1rfy h GLY 19 Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 1rfy h GLY 19 CO 0.00 0.49 0.49 -2.00 0.00 0.00 0.00 176.54 175.53 1rfy h LEU 20 N 0.61 1.01 -1.30 3.11 5.85 -1.20 -2.70 115.31 120.68 1rfy h LEU 20 Ca 0.11 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1rfy h LEU 20 Cb 0.57 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1rfy h LEU 20 CO 0.04 0.79 0.00 0.35 -0.34 0.00 0.00 178.44 179.27 1rfy n THR 21 N -4.36 0.04 -1.68 1.05 -2.24 -0.64 -4.93 114.28 101.51 1rfy n THR 21 Ca 0.09 -0.35 -0.45 0.00 -2.27 0.00 0.00 64.05 61.07 1rfy n THR 21 Cb 0.07 0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 69.06 1rfy n THR 21 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1rfy n ARG 22 N 0.57 2.44 -0.09 -0.78 0.63 -0.95 -1.56 116.66 116.93 1rfy n ARG 22 Ca 0.17 0.89 0.00 0.00 -0.92 0.00 0.00 57.85 57.99 1rfy n ARG 22 Cb 0.43 -2.73 0.00 0.00 0.45 0.00 0.00 32.46 30.61 1rfy n ARG 22 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rfy n GLY 23 N 4.03 1.42 3.74 5.14 0.00 -1.26 -5.03 105.19 113.24 1rfy n GLY 23 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1rfy n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rfy s LEU 24 N 0.00 4.37 0.31 0.99 1.43 -0.60 -4.92 118.68 120.26 1rfy s LEU 24 Ca 0.00 2.72 -0.30 0.00 -1.03 0.00 0.00 54.13 55.53 1rfy s LEU 24 Cb 0.00 -3.62 -0.12 0.00 0.03 0.00 0.00 46.19 42.48 1rfy s LEU 24 CO 0.00 -0.77 1.52 -2.65 0.23 0.00 0.00 176.35 174.68 1rfy n PRO 25 N 2.59 2.56 -0.31 1.29 -0.02 -1.26 -4.77 135.00 135.08 1rfy n PRO 25 Ca 0.08 0.91 0.16 0.00 -2.02 0.00 0.00 63.50 62.63 1rfy n PRO 25 Cb 0.39 -2.64 0.34 0.00 -0.02 0.00 0.00 33.50 31.57 1rfy n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1rfy h PRO 26 N 4.12 0.23 -0.98 0.52 0.11 -1.99 0.95 132.00 134.96 1rfy h PRO 26 Ca -0.47 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1rfy h PRO 26 Cb 1.24 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1rfy h PRO 26 CO 0.74 0.15 0.64 1.15 -0.21 0.00 0.00 178.00 180.47 1rfy h THR 27 N 0.24 1.16 -0.33 -1.15 2.02 -1.99 -0.66 112.91 112.20 1rfy h THR 27 Ca 0.61 -0.42 -0.16 0.00 0.77 0.00 0.00 66.41 67.21 1rfy h THR 27 Cb 1.28 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1rfy h THR 27 CO -0.65 0.22 -0.43 0.44 0.37 0.00 0.00 175.52 175.47 1rfy h ASP 28 N 1.23 0.91 -0.61 4.18 3.32 -1.17 -0.98 116.42 123.28 1rfy h ASP 28 Ca 0.39 -0.43 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1rfy h ASP 28 Cb 0.02 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1rfy h ASP 28 CO -0.13 1.21 0.09 0.25 -1.72 0.00 0.00 179.24 178.95 1rfy h LEU 29 N 0.68 0.99 -0.38 1.55 5.85 -1.01 -0.81 115.31 122.18 1rfy h LEU 29 Ca 0.04 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1rfy h LEU 29 Cb 1.02 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1rfy h LEU 29 CO 0.10 1.00 0.22 -0.33 -0.34 0.00 0.00 178.44 179.09 1rfy h GLU 30 N 0.97 0.52 -0.51 1.25 5.08 -0.94 0.26 114.58 121.22 1rfy h GLU 30 Ca 0.19 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1rfy h GLU 30 Cb 0.43 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1rfy h GLU 30 CO 0.01 0.40 0.32 1.15 -1.00 0.00 0.00 179.01 179.89 1rfy h THR 31 N 0.49 1.08 -0.79 1.13 2.02 -0.83 0.14 112.91 116.15 1rfy h THR 31 Ca 0.14 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1rfy h THR 31 Cb 0.02 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 1rfy h THR 31 CO -0.02 0.12 0.33 0.40 0.37 0.00 0.00 175.52 176.71 1rfy h ILE 32 N 0.64 1.26 -0.43 3.11 2.04 -0.80 -1.73 117.51 121.59 1rfy h ILE 32 Ca 0.20 -0.79 -0.13 0.00 1.00 0.00 0.00 64.86 65.14 1rfy h ILE 32 Cb -0.01 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1rfy h ILE 32 CO -0.08 0.32 -0.25 0.74 0.00 0.00 0.00 178.15 178.89 1rfy h THR 33 N 1.14 1.27 -0.68 -0.27 2.02 -0.28 -1.03 112.91 115.08 1rfy h THR 33 Ca 0.27 -1.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 1rfy h THR 33 Cb 0.19 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1rfy h THR 33 CO -0.03 0.48 0.38 0.40 0.37 0.00 0.00 175.52 177.12 1rfy h ILE 34 N 0.76 1.21 0.00 3.11 2.04 -0.51 -1.54 117.51 122.58 1rfy h ILE 34 Ca 0.09 -0.51 -0.09 0.00 1.00 0.00 0.00 64.86 65.36 1rfy h ILE 34 Cb 0.83 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1rfy h ILE 34 CO 0.07 0.23 -0.41 0.44 0.00 0.00 0.00 178.15 178.48 1rfy h ASP 35 N 0.93 0.00 0.17 1.72 3.32 -1.15 -2.36 116.42 119.05 1rfy h ASP 35 Ca 0.24 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.16 1rfy h ASP 35 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1rfy h ASP 35 CO -0.04 0.41 -0.46 0.00 -1.72 0.00 0.00 179.24 177.43 1rfy h ALA 36 N 1.59 0.94 -0.39 3.45 0.00 -0.45 0.38 119.26 124.78 1rfy h ALA 36 Ca -0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1rfy h ALA 36 Cb 0.82 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1rfy h ALA 36 CO 0.05 0.64 -0.05 0.82 0.00 0.00 0.00 179.25 180.72 1rfy h ILE 37 N 0.29 1.27 -0.54 0.00 2.04 -0.92 -0.57 117.51 119.08 1rfy h ILE 37 Ca 0.02 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 1rfy h ILE 37 Cb 0.93 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1rfy h ILE 37 CO 0.08 0.37 0.24 -0.09 0.00 0.00 0.00 178.15 178.75 1rfy h ARG 38 N 0.55 0.78 -0.69 2.37 2.43 -1.15 -2.30 114.38 116.37 1rfy h ARG 38 Ca 0.11 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1rfy h ARG 38 Cb 0.55 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1rfy h ARG 38 CO 0.03 0.66 0.32 1.15 -1.51 0.00 0.00 179.97 180.62 1rfy h THR 39 N 0.72 1.23 -0.29 0.20 2.02 -0.77 -1.89 112.91 114.14 1rfy h THR 39 Ca 0.18 -0.67 0.04 0.00 0.77 0.00 0.00 66.41 66.73 1rfy h THR 39 Cb 0.15 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 1rfy h THR 39 CO -0.02 0.28 0.07 -0.74 0.37 0.00 0.00 175.52 175.48 1rfy h HIS 40 N 0.96 0.12 -0.33 3.16 -0.00 -0.79 -0.17 115.15 118.11 1rfy h HIS 40 Ca 0.24 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.56 1rfy h HIS 40 Cb 0.14 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.52 1rfy h HIS 40 CO 0.01 0.04 -0.07 0.00 -0.00 0.00 0.00 177.93 177.91 1rfy h ARG 41 N 0.19 0.54 -0.56 5.26 3.08 -1.17 -0.17 114.38 121.55 1rfy h ARG 41 Ca 0.13 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1rfy h ARG 41 Cb 0.12 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1rfy h ARG 41 CO -0.16 0.62 -0.02 0.00 -1.07 0.00 0.00 179.97 179.34 1rfy h ARG 42 N 0.51 0.98 -0.21 0.04 2.47 -0.73 -0.99 114.38 116.45 1rfy h ARG 42 Ca 0.10 -0.31 -0.14 0.00 -1.26 0.00 0.00 59.98 58.37 1rfy h ARG 42 Cb 0.43 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1rfy h ARG 42 CO 0.02 0.98 -0.45 -0.07 0.56 0.00 0.00 179.97 181.01 1rfy h LEU 43 N 0.90 0.57 -0.27 3.04 3.38 -0.50 -0.44 115.31 121.99 1rfy h LEU 43 Ca 0.16 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1rfy h LEU 43 Cb 0.56 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1rfy h LEU 43 CO 0.03 0.95 -0.03 0.58 0.09 0.00 0.00 178.44 180.06 1rfy h VAL 44 N 0.43 1.27 -0.54 1.22 2.07 -0.87 -1.66 116.25 118.17 1rfy h VAL 44 Ca 0.03 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1rfy h VAL 44 Cb 0.96 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1rfy h VAL 44 CO 0.09 0.31 0.28 -0.33 0.02 0.00 0.00 177.57 177.94 1rfy h GLU 45 N 0.27 0.77 -0.17 1.57 5.08 -1.04 -2.00 114.58 119.06 1rfy h GLU 45 Ca 0.07 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1rfy h GLU 45 Cb 0.47 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1rfy h GLU 45 CO 0.02 0.61 0.09 0.87 -1.00 0.00 0.00 179.01 179.60 1rfy h LYS 46 N 0.73 0.23 -0.68 2.33 1.57 -0.97 -0.69 116.57 119.09 1rfy h LYS 46 Ca 0.19 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1rfy h LYS 46 Cb 0.08 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1rfy h LYS 46 CO -0.03 0.24 0.42 0.00 -0.57 0.00 0.00 179.45 179.51 1rfy h ALA 47 N 0.98 0.87 -0.63 3.86 0.00 -1.20 -1.95 119.26 121.18 1rfy h ALA 47 Ca 0.06 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1rfy h ALA 47 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1rfy h ALA 47 CO -0.01 0.33 0.09 0.22 0.00 0.00 0.00 179.25 179.88 1rfy h ASP 48 N 0.93 1.01 -0.89 0.00 3.58 -1.17 -1.19 116.42 118.68 1rfy h ASP 48 Ca 0.25 -0.27 0.05 0.00 0.42 0.00 0.00 57.03 57.48 1rfy h ASP 48 Cb -0.04 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 40.68 1rfy h ASP 48 CO -0.05 1.02 0.57 -0.33 -2.88 0.00 0.00 179.24 177.57 1rfy h GLU 49 N 0.96 1.04 -0.58 0.28 4.39 -0.67 0.11 114.58 120.11 1rfy h GLU 49 Ca 0.19 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1rfy h GLU 49 Cb 0.44 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1rfy h GLU 49 CO 0.01 0.69 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.44 1rfy h LEU 50 N 1.07 1.05 -0.28 1.33 4.07 -0.99 -2.87 115.31 118.69 1rfy h LEU 50 Ca 0.37 -0.33 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 1rfy h LEU 50 Cb 0.07 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.52 1rfy h LEU 50 CO -0.14 1.12 0.16 0.15 -1.08 0.00 0.00 178.44 178.65 1rfy h PHE 51 N 0.95 0.38 -0.25 1.13 3.57 -0.28 -2.64 116.94 119.80 1rfy h PHE 51 Ca 0.16 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.72 1rfy h PHE 51 Cb 0.61 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1rfy h PHE 51 CO 0.04 0.31 0.18 1.96 -2.23 0.00 0.00 178.31 178.57 1rfy h GLN 52 N 0.34 0.01 -0.01 1.11 1.08 -0.69 -1.19 115.11 115.76 1rfy h GLN 52 Ca 0.10 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1rfy h GLN 52 Cb 0.05 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1rfy h GLN 52 CO -0.02 0.01 -0.15 0.00 -0.95 0.00 0.00 178.83 177.72 1rfy n ALA 53 N -2.58 2.85 -1.78 3.87 0.00 -1.01 -4.91 120.51 116.95 1rfy n ALA 53 Ca 0.03 -0.34 -0.35 0.00 0.00 0.00 0.00 53.44 52.78 1rfy n ALA 53 Cb 0.32 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 1rfy n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rfy s LEU 54 N -2.40 3.82 0.68 0.00 1.43 -0.45 -4.98 118.68 116.78 1rfy s LEU 54 Ca 0.29 2.10 -0.17 0.00 -1.03 0.00 0.00 54.13 55.32 1rfy s LEU 54 Cb 0.20 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.90 1rfy s LEU 54 CO 0.47 -1.01 1.25 -2.84 0.23 0.00 0.00 176.35 174.45 1rfy s PRO 55 N -3.18 2.42 0.43 1.29 0.02 -1.26 -4.80 135.00 129.92 1rfy s PRO 55 Ca 0.69 1.93 0.20 0.00 0.02 0.00 0.00 61.00 63.84 1rfy s PRO 55 Cb -0.22 -1.85 1.14 0.00 0.02 0.00 0.00 34.50 33.60 1rfy s PRO 55 CO 0.25 -1.66 1.84 0.93 -0.33 0.00 0.00 177.00 178.03 1rfy h GLU 56 N 0.25 0.34 -0.44 5.54 4.39 -1.96 -0.81 114.58 121.89 1rfy h GLU 56 Ca -0.50 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 1rfy h GLU 56 Cb 1.32 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 1rfy h GLU 56 CO 0.52 0.23 0.25 1.79 -1.16 0.00 0.00 179.01 180.63 1rfy h THR 57 N 0.35 1.14 0.01 1.13 1.35 -1.96 -2.56 112.91 112.37 1rfy h THR 57 Ca 0.49 -0.34 -0.22 0.00 -0.55 0.00 0.00 66.41 65.79 1rfy h THR 57 Cb 1.31 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1rfy h THR 57 CO -0.18 0.15 -0.94 1.88 -0.25 0.00 0.00 175.52 176.18 1rfy h TYR 58 N 0.61 0.56 0.00 4.73 -1.99 -1.35 0.13 116.97 119.66 1rfy h TYR 58 Ca 0.16 -0.31 -0.02 0.00 2.00 0.00 0.00 58.73 60.56 1rfy h TYR 58 Cb 0.01 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 38.68 1rfy h TYR 58 CO 0.00 1.13 -0.10 0.87 -0.00 0.00 0.00 178.16 180.06 1rfy h LYS 59 N 0.21 0.00 -0.30 4.88 1.57 -1.33 -2.44 116.57 119.15 1rfy h LYS 59 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1rfy h LYS 59 Cb 1.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.89 1rfy h LYS 59 CO 0.16 0.10 0.00 0.25 -0.57 0.00 0.00 179.45 179.39 1rfy n THR 60 N -4.03 0.37 -1.02 -0.16 -2.24 -1.10 -4.94 114.28 101.16 1rfy n THR 60 Ca -0.02 -0.69 -0.01 0.00 -2.27 0.00 0.00 64.05 61.06 1rfy n THR 60 Cb 0.19 1.12 -0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1rfy n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rfy n GLY 61 N 1.46 0.47 0.05 3.38 0.00 -0.92 -4.88 105.19 104.75 1rfy n GLY 61 Ca 0.18 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1rfy n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rfy n GLN 62 N -2.58 0.54 -3.68 1.61 6.02 0.42 -4.80 117.38 114.91 1rfy n GLN 62 Ca -0.01 -0.11 -0.14 0.00 -0.01 0.00 0.00 57.00 56.73 1rfy n GLN 62 Cb 0.07 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.75 1rfy n GLN 62 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rfy s ALA 63 N -2.54 -1.32 0.03 -1.58 0.00 -0.95 -4.91 121.76 110.49 1rfy s ALA 63 Ca 0.28 1.34 -0.01 0.00 0.00 0.00 0.00 51.96 53.57 1rfy s ALA 63 Cb 0.20 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1rfy s ALA 63 CO 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 175.76 175.96 1rfy n GLY 65 N 0.92 -0.19 0.00 0.00 0.00 -1.26 -5.11 105.19 99.55 1rfy n GLY 65 Ca -0.20 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1rfy n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rfy n GLY 66 N -0.15 1.48 0.25 -0.02 0.00 -1.26 -4.35 105.19 101.14 1rfy n GLY 66 Ca 0.00 -1.73 0.02 0.00 0.00 0.00 0.00 46.02 44.31 1rfy n GLY 66 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rfy h PRO 67 N 0.00 0.40 -0.31 1.61 0.11 -2.00 -0.97 132.00 130.84 1rfy h PRO 67 Ca 0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1rfy h PRO 67 Cb 0.00 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 1rfy h PRO 67 CO 0.00 0.26 0.14 0.37 -0.21 0.00 0.00 178.00 178.56 1rfy h GLN 68 N 0.41 0.46 -0.68 1.05 4.15 -2.00 -1.46 115.11 117.03 1rfy h GLN 68 Ca 0.36 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.63 1rfy h GLN 68 Cb 0.50 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1rfy h GLN 68 CO -0.36 0.46 0.16 1.25 -1.93 0.00 0.00 178.83 178.41 1rfy h HIS 69 N 0.36 1.16 -0.71 3.99 2.76 -1.69 -2.42 115.15 118.60 1rfy h HIS 69 Ca 0.11 -0.14 0.04 0.00 -2.20 0.00 0.00 60.37 58.18 1rfy h HIS 69 Cb 0.16 -0.32 -0.05 0.00 1.55 0.00 0.00 27.41 28.75 1rfy h HIS 69 CO -0.01 0.95 0.43 0.82 -1.30 0.00 0.00 177.93 178.82 1rfy h ILE 70 N 1.03 1.05 -0.43 6.26 2.04 -0.93 -0.30 117.51 126.24 1rfy h ILE 70 Ca 0.21 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 1rfy h ILE 70 Cb 0.38 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1rfy h ILE 70 CO 0.00 0.15 0.04 0.03 0.00 0.00 0.00 178.15 178.38 1rfy h ARG 71 N 0.82 0.66 -0.27 2.37 3.08 -0.91 0.60 114.38 120.73 1rfy h ARG 71 Ca 0.30 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 1rfy h ARG 71 Cb 0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1rfy h ARG 71 CO -0.14 0.65 0.00 -0.92 -1.07 0.00 0.00 179.97 178.50 1rfy h TYR 72 N 0.64 0.52 -0.61 3.04 3.20 -0.86 -1.30 116.97 121.59 1rfy h TYR 72 Ca 0.14 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1rfy h TYR 72 Cb 0.34 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1rfy h TYR 72 CO 0.02 0.63 0.40 0.82 -1.64 0.00 0.00 178.16 178.38 1rfy h ILE 73 N 0.26 1.14 -0.47 1.81 2.04 -0.64 -0.53 117.51 121.12 1rfy h ILE 73 Ca 0.08 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 1rfy h ILE 73 Cb 0.42 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1rfy h ILE 73 CO 0.01 0.15 0.05 -0.33 0.00 0.00 0.00 178.15 178.04 1rfy h GLU 74 N 0.81 0.74 -0.52 2.37 5.08 -0.74 0.14 114.58 122.45 1rfy h GLU 74 Ca 0.23 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1rfy h GLU 74 Cb -0.07 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1rfy h GLU 74 CO -0.06 0.71 -0.09 0.00 -1.00 0.00 0.00 179.01 178.57 1rfy h ALA 75 N 1.36 0.85 -0.44 3.43 0.00 -0.66 -1.41 119.26 122.38 1rfy h ALA 75 Ca 0.15 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1rfy h ALA 75 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1rfy h ALA 75 CO 0.01 0.65 -0.22 1.03 0.00 0.00 0.00 179.25 180.72 1rfy h SER 76 N 0.87 0.92 -0.50 0.00 0.87 -0.50 -1.95 113.55 113.26 1rfy h SER 76 Ca 0.14 -0.34 -0.02 0.00 -1.23 0.00 0.00 61.79 60.34 1rfy h SER 76 Cb 0.63 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1rfy h SER 76 CO 0.04 1.10 0.25 0.40 -0.53 0.00 0.00 176.83 178.10 1rfy h ILE 77 N 0.78 1.19 -0.61 2.23 2.04 -0.47 -0.38 117.51 122.29 1rfy h ILE 77 Ca 0.10 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 1rfy h ILE 77 Cb 0.77 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1rfy h ILE 77 CO 0.06 0.20 0.19 -0.08 0.00 0.00 0.00 178.15 178.53 1rfy h GLU 78 N 0.66 0.92 0.17 2.37 4.81 -1.12 -0.53 114.58 121.87 1rfy h GLU 78 Ca 0.17 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1rfy h GLU 78 Cb 0.09 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1rfy h GLU 78 CO -0.02 0.79 -0.08 1.98 -0.73 0.00 0.00 179.01 180.94 1rfy h MET 79 N 0.89 -0.23 -0.92 1.92 4.05 -0.81 -1.40 114.93 118.44 1rfy h MET 79 Ca 0.20 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.63 1rfy h MET 79 Cb 0.25 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.06 1rfy h MET 79 CO -0.01 -0.04 0.55 0.45 0.23 0.00 0.00 176.91 178.09 1rfy h HIS 80 N -0.37 1.22 -0.19 1.39 3.86 -0.83 -0.97 115.15 119.26 1rfy h HIS 80 Ca -0.02 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1rfy h HIS 80 Cb 0.29 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1rfy h HIS 80 CO -0.03 0.81 0.08 0.00 0.86 0.00 0.00 177.93 179.65 1rfy h ALA 81 N 1.33 0.25 0.00 2.45 0.00 -0.98 -2.70 119.26 119.61 1rfy h ALA 81 Ca 0.33 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1rfy h ALA 81 Cb -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1rfy h ALA 81 CO -0.06 -0.16 -0.37 0.37 0.00 0.00 0.00 179.25 179.03 1rfy h GLN 82 N 0.15 0.00 -0.40 0.00 -0.00 -1.05 -2.46 115.11 111.35 1rfy h GLN 82 Ca 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.65 1rfy h GLN 82 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.64 1rfy h GLN 82 CO -0.00 0.37 -0.01 1.98 0.00 0.00 0.00 178.83 181.16 1rfy h MET 83 N 0.00 0.64 -0.77 1.69 4.05 -0.93 -0.04 114.93 119.57 1rfy h MET 83 Ca -0.00 -0.16 -0.04 0.00 -0.28 0.00 0.00 59.70 59.22 1rfy h MET 83 Cb 0.67 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.36 1rfy h MET 83 CO 0.05 0.67 0.31 1.03 0.23 0.00 0.00 176.91 179.20 1rfy h SER 84 N 0.61 1.05 -0.47 1.39 0.87 -1.13 -0.01 113.55 115.86 1rfy h SER 84 Ca 0.12 -0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 1rfy h SER 84 Cb 0.40 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1rfy h SER 84 CO 0.02 0.93 0.02 0.00 -0.53 0.00 0.00 176.83 177.26 1rfy h ALA 85 N 1.22 0.63 -0.47 6.23 0.00 -1.16 -1.99 119.26 123.72 1rfy h ALA 85 Ca 0.26 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rfy h ALA 85 Cb 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1rfy h ALA 85 CO -0.02 0.42 0.27 1.25 0.00 0.00 0.00 179.25 181.16 1rfy h LEU 86 N 0.67 0.58 -0.55 0.00 5.85 -0.56 0.24 115.31 121.55 1rfy h LEU 86 Ca 0.13 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1rfy h LEU 86 Cb 0.48 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1rfy h LEU 86 CO 0.02 0.49 0.28 0.78 -0.34 0.00 0.00 178.44 179.67 1rfy h ASN 87 N 0.63 0.39 -0.47 1.25 -0.26 -0.84 -1.15 115.58 115.12 1rfy h ASN 87 Ca 0.17 0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.89 1rfy h ASN 87 Cb 0.03 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1rfy h ASN 87 CO -0.03 0.26 0.07 0.74 -1.06 0.00 0.00 177.43 177.41 1rfy h THR 88 N 0.53 1.25 -0.71 2.81 2.02 -0.90 -1.82 112.91 116.08 1rfy h THR 88 Ca 0.25 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 1rfy h THR 88 Cb 0.17 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1rfy h THR 88 CO -0.18 0.33 0.38 -0.07 0.37 0.00 0.00 175.52 176.34 1rfy h LEU 89 N 0.65 0.90 -0.92 2.58 3.38 -0.56 -0.38 115.31 120.96 1rfy h LEU 89 Ca 0.14 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1rfy h LEU 89 Cb 0.40 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1rfy h LEU 89 CO 0.01 0.75 -0.01 0.40 0.09 0.00 0.00 178.44 179.69 1rfy h ILE 90 N 0.99 1.24 -0.56 1.22 2.04 -1.08 0.29 117.51 121.64 1rfy h ILE 90 Ca 0.25 -1.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 1rfy h ILE 90 Cb 0.06 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1rfy h ILE 90 CO -0.04 0.35 0.10 0.28 0.00 0.00 0.00 178.15 178.85 1rfy h SER 91 N 0.73 0.88 -0.13 1.72 0.02 -0.73 -1.01 113.55 115.02 1rfy h SER 91 Ca 0.14 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1rfy h SER 91 Cb 0.46 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1rfy h SER 91 CO 0.02 0.91 -0.03 0.40 -1.14 0.00 0.00 176.83 176.99 1rfy h ILE 92 N 0.81 1.29 -0.64 3.27 2.04 -0.69 -3.18 117.51 120.41 1rfy h ILE 92 Ca 0.17 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.07 1rfy h ILE 92 Cb 0.40 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1rfy h ILE 92 CO 0.01 0.28 0.41 0.25 0.00 0.00 0.00 178.15 179.09 1rfy h LEU 93 N -0.06 0.75 0.00 1.44 5.85 -0.89 -3.47 115.31 118.94 1rfy h LEU 93 Ca 0.03 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1rfy h LEU 93 Cb 0.45 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1rfy h LEU 93 CO 0.01 0.57 0.00 0.61 -0.34 0.00 0.00 178.44 179.29 1rfy n GLY 94 N -1.21 0.37 3.81 3.75 0.00 -0.39 -5.03 105.19 106.49 1rfy n GLY 94 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1rfy n GLY 94 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rfy s PHE 95 N -2.10 -0.08 -0.27 1.61 -0.71 -1.25 -5.05 117.98 110.13 1rfy s PHE 95 Ca 0.00 -0.33 -0.10 0.00 -1.04 0.00 0.00 56.93 55.45 1rfy s PHE 95 Cb 0.00 0.70 -0.05 0.00 -1.21 0.00 0.00 43.02 42.46 1rfy s PHE 95 CO 0.00 -1.07 0.16 0.42 -1.34 0.00 0.00 175.22 173.39 1rfy s ILE 96 N -3.19 5.11 -0.46 -4.49 -1.09 -1.26 -4.87 121.20 110.95 1rfy s ILE 96 Ca 0.14 0.10 -0.28 0.00 -2.23 0.00 0.00 60.65 58.38 1rfy s ILE 96 Cb -0.03 -3.42 -0.01 0.00 -1.58 0.00 0.00 42.46 37.41 1rfy s ILE 96 CO 0.05 0.27 1.76 -2.16 -1.23 0.00 0.00 174.94 173.64 1rfy s PRO 97 N 1.70 3.09 -0.50 2.79 0.04 -1.26 -4.96 135.00 135.90 1rfy s PRO 97 Ca 0.07 1.02 -0.20 0.00 0.04 0.00 0.00 61.00 61.93 1rfy s PRO 97 Cb -0.16 -4.25 0.05 0.00 0.04 0.00 0.00 34.50 30.19 1rfy s PRO 97 CO 0.09 -2.16 0.66 0.15 0.04 0.00 0.00 177.00 175.78 1rfy s LYS 98 N 6.10 3.16 0.00 4.56 1.02 -1.26 -4.97 119.74 128.35 1rfy s LYS 98 Ca 0.72 -0.76 0.26 0.00 0.02 0.00 0.00 55.97 56.20 1rfy s LYS 98 Cb -0.17 -4.07 0.60 0.00 -0.52 0.00 0.00 37.83 33.66 1rfy s LYS 98 CO 0.28 -1.22 1.49 1.33 -0.92 0.00 0.00 175.35 176.31