#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otf s ILE 3 N 0.00 1.76 -0.04 0.52 1.01 -1.26 -1.80 121.20 121.39 1otf s ILE 3 Ca 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 60.65 59.44 1otf s ILE 3 Cb 0.00 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.95 1otf s ILE 3 CO 0.00 0.23 -0.13 0.00 0.00 0.00 0.00 174.94 175.04 1otf s ALA 4 N -0.80 1.21 -0.21 9.38 0.00 -0.86 -5.00 121.76 125.48 1otf s ALA 4 Ca 0.08 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 1otf s ALA 4 Cb -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1otf s ALA 4 CO 0.02 0.19 -0.10 -1.14 0.00 0.00 0.00 175.76 174.74 1otf s GLN 5 N 0.21 3.21 -0.21 0.00 0.74 -1.26 -0.96 119.66 121.40 1otf s GLN 5 Ca -0.05 -0.72 -0.08 0.00 0.05 0.00 0.00 55.36 54.56 1otf s GLN 5 Cb -0.11 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.09 1otf s GLN 5 CO 0.02 -0.22 0.10 -0.51 -0.55 0.00 0.00 175.29 174.13 1otf s LEU 6 N 1.41 3.88 -0.40 3.68 1.43 0.55 -4.98 118.68 124.25 1otf s LEU 6 Ca 0.05 0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 53.12 1otf s LEU 6 Cb -0.14 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.13 1otf s LEU 6 CO -0.07 0.12 0.23 -0.31 0.23 0.00 0.00 176.35 176.55 1otf s TYR 7 N 0.72 3.30 0.18 0.29 1.51 -1.26 0.12 117.35 122.21 1otf s TYR 7 Ca 0.05 -1.37 0.09 0.00 -1.01 0.00 0.00 57.07 54.83 1otf s TYR 7 Cb -0.13 -2.75 -0.04 0.00 -0.11 0.00 0.00 41.96 38.93 1otf s TYR 7 CO 0.02 -0.79 -0.18 0.96 -1.11 0.00 0.00 175.55 174.45 1otf s ILE 8 N 1.46 1.88 0.22 2.71 -4.36 -0.70 -5.00 121.20 117.41 1otf s ILE 8 Ca 0.02 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.21 1otf s ILE 8 Cb -0.22 -1.92 -0.08 0.00 1.25 0.00 0.00 42.46 41.49 1otf s ILE 8 CO 0.03 -0.36 0.73 -0.63 0.24 0.00 0.00 174.94 174.95 1otf s ILE 9 N -2.21 4.55 0.99 8.37 1.09 -1.26 -1.31 121.20 131.42 1otf s ILE 9 Ca 0.18 1.32 -0.15 0.00 -1.10 0.00 0.00 60.65 60.90 1otf s ILE 9 Cb -0.05 -3.88 0.01 0.00 -1.06 0.00 0.00 42.46 37.48 1otf s ILE 9 CO 0.07 0.23 0.07 -0.62 -0.10 0.00 0.00 174.94 174.59 1otf n GLU 10 N 0.79 -0.46 0.00 2.79 1.02 0.13 -4.44 120.64 120.47 1otf n GLU 10 Ca -0.03 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1otf n GLU 10 Cb 0.51 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1otf n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1otf n GLY 11 N 1.98 1.04 3.81 0.62 0.00 -1.26 -4.92 105.19 106.46 1otf n GLY 11 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1otf n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1otf s ARG 12 N -0.40 4.33 0.94 1.61 3.00 -1.26 -5.06 118.95 122.12 1otf s ARG 12 Ca 0.00 1.06 -0.12 0.00 0.00 0.00 0.00 55.73 56.67 1otf s ARG 12 Cb 0.00 -2.66 0.15 0.00 0.00 0.00 0.00 34.95 32.45 1otf s ARG 12 CO 0.00 0.24 1.09 0.95 0.00 0.00 0.00 175.30 177.58 1otf s THR 13 N -1.74 2.41 0.18 0.02 -4.23 -1.26 -4.83 115.64 106.18 1otf s THR 13 Ca 0.51 0.13 -0.13 0.00 -1.18 0.00 0.00 61.69 61.02 1otf s THR 13 Cb -0.15 -2.62 0.09 0.00 1.34 0.00 0.00 72.50 71.16 1otf s THR 13 CO 0.20 -0.17 1.82 0.44 -0.54 0.00 0.00 174.62 176.37 1otf h ASP 14 N -1.70 0.71 -0.51 3.99 3.32 -1.99 -1.57 116.42 118.67 1otf h ASP 14 Ca -0.52 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.47 1otf h ASP 14 Cb 1.30 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 1otf h ASP 14 CO 0.56 0.56 0.27 -0.08 -1.72 0.00 0.00 179.24 178.83 1otf h GLU 15 N 0.81 0.72 -0.53 3.56 4.81 -1.99 -2.67 114.58 119.29 1otf h GLU 15 Ca 0.21 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1otf h GLU 15 Cb -0.03 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1otf h GLU 15 CO -0.04 0.57 0.33 1.96 -0.73 0.00 0.00 179.01 181.11 1otf h GLN 16 N 0.68 0.71 -0.35 1.92 4.20 -1.79 -0.86 115.11 119.62 1otf h GLN 16 Ca 0.18 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1otf h GLN 16 Cb 0.07 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1otf h GLN 16 CO -0.03 0.50 0.23 0.87 -0.67 0.00 0.00 178.83 179.73 1otf h LYS 17 N 0.71 0.46 -0.53 1.46 1.57 -1.29 -0.32 116.57 118.63 1otf h LYS 17 Ca 0.19 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.04 1otf h LYS 17 Cb -0.04 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.08 1otf h LYS 17 CO -0.04 0.31 0.07 1.49 -0.57 0.00 0.00 179.45 180.71 1otf h GLU 18 N 0.47 0.19 0.05 3.15 4.81 -1.40 -0.78 114.58 121.06 1otf h GLU 18 Ca 0.13 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1otf h GLU 18 Cb -0.05 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1otf h GLU 18 CO -0.03 0.13 -0.02 1.15 -0.73 0.00 0.00 179.01 179.51 1otf h THR 19 N 0.19 1.02 -0.69 0.32 2.02 -0.82 -1.46 112.91 113.49 1otf h THR 19 Ca 0.27 -0.22 0.15 0.00 0.77 0.00 0.00 66.41 67.38 1otf h THR 19 Cb 0.40 1.17 -0.12 0.00 -1.74 0.00 0.00 68.15 67.86 1otf h THR 19 CO -0.39 0.06 0.03 0.25 0.37 0.00 0.00 175.52 175.84 1otf h LEU 20 N -0.16 -0.26 -0.40 2.58 5.85 -0.71 0.14 115.31 122.35 1otf h LEU 20 Ca -0.01 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1otf h LEU 20 Cb 0.14 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1otf h LEU 20 CO 0.01 -0.13 0.20 0.40 -0.34 0.00 0.00 178.44 178.58 1otf h ILE 21 N 0.13 1.16 0.08 4.05 2.04 -0.92 -0.40 117.51 123.66 1otf h ILE 21 Ca 0.37 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1otf h ILE 21 Cb 0.64 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1otf h ILE 21 CO -0.58 0.17 -0.04 -0.09 0.00 0.00 0.00 178.15 177.61 1otf h ARG 22 N 0.51 -0.10 -0.09 2.37 2.43 -0.02 -1.47 114.38 118.01 1otf h ARG 22 Ca 0.14 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 1otf h ARG 22 Cb 0.09 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1otf h ARG 22 CO -0.02 0.08 -0.47 1.96 -1.51 0.00 0.00 179.97 180.02 1otf h GLN 23 N -0.27 0.21 -0.34 0.20 4.20 -0.67 -1.57 115.11 116.87 1otf h GLN 23 Ca -0.01 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.49 1otf h GLN 23 Cb 0.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1otf h GLN 23 CO 0.02 0.64 -0.16 0.28 -0.67 0.00 0.00 178.83 178.93 1otf h VAL 24 N 0.17 1.29 -0.41 -0.54 2.07 -1.07 -1.75 116.25 116.01 1otf h VAL 24 Ca 0.01 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1otf h VAL 24 Cb 0.89 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1otf h VAL 24 CO 0.07 0.42 0.22 0.28 0.02 0.00 0.00 177.57 178.57 1otf h SER 25 N 0.48 0.52 -0.25 0.57 0.02 -0.93 -1.69 113.55 112.27 1otf h SER 25 Ca 0.07 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1otf h SER 25 Cb 0.70 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 1otf h SER 25 CO 0.05 0.48 0.05 -0.33 -1.14 0.00 0.00 176.83 175.93 1otf h GLU 26 N 0.53 0.14 -1.00 3.45 5.08 -1.29 -1.72 114.58 119.77 1otf h GLU 26 Ca 0.14 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1otf h GLU 26 Cb 0.07 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 1otf h GLU 26 CO -0.02 0.09 0.65 0.00 -1.00 0.00 0.00 179.01 178.73 1otf h ALA 27 N 1.18 1.36 -0.15 3.43 0.00 -0.92 -0.88 119.26 123.29 1otf h ALA 27 Ca 0.11 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1otf h ALA 27 Cb 0.12 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1otf h ALA 27 CO -0.15 0.49 -0.14 0.52 0.00 0.00 0.00 179.25 179.97 1otf h MET 28 N 1.22 0.36 -0.10 0.00 2.86 -0.98 -2.76 114.93 115.52 1otf h MET 28 Ca 0.42 -0.19 0.04 0.00 -2.06 0.00 0.00 59.70 57.91 1otf h MET 28 Cb 0.09 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 1otf h MET 28 CO -0.15 0.74 -0.13 0.00 1.06 0.00 0.00 176.91 178.43 1otf h ALA 29 N 0.61 -0.06 0.79 6.32 0.00 -1.23 -2.01 119.26 123.68 1otf h ALA 29 Ca 0.02 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1otf h ALA 29 Cb 0.67 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1otf h ALA 29 CO 0.04 -0.59 -0.44 -0.91 0.00 0.00 0.00 179.25 177.34 1otf h ASN 30 N -0.17 -1.09 -0.61 0.00 2.35 -1.19 -2.07 115.58 112.80 1otf h ASN 30 Ca 0.08 0.05 0.07 0.00 -0.55 0.00 0.00 56.30 55.95 1otf h ASN 30 Cb 0.28 0.31 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 1otf h ASN 30 CO -0.20 -0.70 0.41 0.28 -1.65 0.00 0.00 177.43 175.56 1otf h SER 31 N -1.14 0.50 0.05 5.81 0.02 -1.55 -2.68 113.55 114.56 1otf h SER 31 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1otf h SER 31 Cb 0.90 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1otf h SER 31 CO 0.14 0.32 -0.77 0.18 -1.14 0.00 0.00 176.83 175.55 1otf n LEU 32 N -4.48 1.25 -3.61 5.07 4.77 -0.76 -4.99 117.00 114.25 1otf n LEU 32 Ca 0.09 -0.52 -0.21 0.00 -0.03 0.00 0.00 56.01 55.34 1otf n LEU 32 Cb 0.26 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 1otf n LEU 32 CO 0.34 0.27 -0.03 -0.67 -1.33 0.00 0.00 177.39 175.97 1otf n ASP 33 N -1.04 -2.27 -4.43 -1.43 2.03 -0.81 -5.01 116.55 103.58 1otf n ASP 33 Ca 0.06 -0.80 -0.31 0.00 0.52 0.00 0.00 54.79 54.26 1otf n ASP 33 Cb 0.37 -4.26 -0.13 0.00 -0.72 0.00 0.00 41.12 36.38 1otf n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1otf s ALA 34 N -3.58 2.52 0.04 -1.67 0.00 -1.01 -5.06 121.76 113.00 1otf s ALA 34 Ca 0.10 -1.22 -0.35 0.00 0.00 0.00 0.00 51.96 50.49 1otf s ALA 34 Cb -0.02 -0.67 -0.14 0.00 0.00 0.00 0.00 23.12 22.29 1otf s ALA 34 CO 0.80 0.56 1.65 -2.30 0.00 0.00 0.00 175.76 176.48 1otf n PRO 35 N 1.57 1.95 -0.24 0.00 -0.02 -1.26 -4.48 135.00 132.52 1otf n PRO 35 Ca -0.16 0.71 0.26 0.00 -2.02 0.00 0.00 63.50 62.28 1otf n PRO 35 Cb 0.52 -2.48 0.63 0.00 -0.02 0.00 0.00 33.50 32.16 1otf n PRO 35 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1otf h LEU 36 N 6.88 0.18 -1.62 2.45 5.85 -1.92 -0.50 115.31 126.63 1otf h LEU 36 Ca -0.47 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1otf h LEU 36 Cb 1.28 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1otf h LEU 36 CO 0.90 0.06 0.00 1.05 -0.34 0.00 0.00 178.44 180.11 1otf h GLU 37 N 0.18 0.00 -0.00 1.25 4.11 -1.99 -2.88 114.58 115.24 1otf h GLU 37 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 1otf h GLU 37 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 1otf h GLU 37 CO -0.10 0.00 -0.43 0.54 0.07 0.00 0.00 179.01 179.09 1otf n ARG 38 N -2.79 0.42 -2.34 1.06 1.74 -0.20 -4.92 116.66 109.63 1otf n ARG 38 Ca -0.00 -0.26 -0.41 0.00 -0.77 0.00 0.00 57.85 56.41 1otf n ARG 38 Cb 0.20 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.12 1otf n ARG 38 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1otf s VAL 39 N -2.76 3.53 -0.04 1.55 1.01 -1.09 -4.33 120.40 118.28 1otf s VAL 39 Ca 0.17 1.25 0.06 0.00 0.00 0.00 0.00 61.98 63.46 1otf s VAL 39 Cb 0.18 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1otf s VAL 39 CO 0.63 0.18 -0.23 -0.13 0.00 0.00 0.00 175.10 175.55 1otf s ARG 40 N -0.02 2.17 -0.10 2.72 1.81 -0.75 -5.04 118.95 119.75 1otf s ARG 40 Ca 0.55 -0.82 0.00 0.00 -1.72 0.00 0.00 55.73 53.74 1otf s ARG 40 Cb -0.33 -1.92 0.02 0.00 -0.45 0.00 0.00 34.95 32.27 1otf s ARG 40 CO 0.36 0.39 -0.08 0.08 -0.68 0.00 0.00 175.30 175.37 1otf s VAL 41 N -0.24 0.99 -0.17 3.52 1.01 -1.26 -2.02 120.40 122.23 1otf s VAL 41 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 1otf s VAL 41 Cb -0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1otf s VAL 41 CO 0.02 0.35 0.06 -0.76 0.00 0.00 0.00 175.10 174.77 1otf s LEU 42 N 1.42 3.84 -0.23 3.92 1.43 -0.13 -4.99 118.68 123.93 1otf s LEU 42 Ca -0.01 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1otf s LEU 42 Cb -0.13 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 1otf s LEU 42 CO -0.05 0.21 0.19 -0.63 0.23 0.00 0.00 176.35 176.30 1otf s ILE 43 N 0.17 5.35 -0.40 -0.59 1.01 -1.26 -0.33 121.20 125.14 1otf s ILE 43 Ca 0.05 0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.88 1otf s ILE 43 Cb -0.12 -3.53 0.08 0.00 0.01 0.00 0.00 42.46 38.91 1otf s ILE 43 CO 0.00 0.34 0.21 -0.89 0.00 0.00 0.00 174.94 174.61 1otf s THR 44 N 1.02 3.81 -0.01 2.92 2.01 0.12 -4.94 115.64 120.57 1otf s THR 44 Ca 0.09 -1.58 -0.11 0.00 0.31 0.00 0.00 61.69 60.40 1otf s THR 44 Cb -0.13 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 1otf s THR 44 CO 0.04 -0.51 0.32 -0.70 -0.69 0.00 0.00 174.62 173.09 1otf s GLU 45 N 1.32 3.72 0.04 4.92 2.12 -1.26 -1.71 118.70 127.86 1otf s GLU 45 Ca 0.03 0.16 -0.05 0.00 0.36 0.00 0.00 54.97 55.48 1otf s GLU 45 Cb -0.23 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 1otf s GLU 45 CO -0.00 0.68 0.09 0.00 -0.54 0.00 0.00 175.26 175.48 1otf s MET 46 N -1.35 0.61 0.71 4.30 0.23 -0.43 -4.90 119.30 118.47 1otf s MET 46 Ca 0.24 -0.83 -0.16 0.00 -1.03 0.00 0.00 55.69 53.92 1otf s MET 46 Cb -0.15 0.24 0.03 0.00 -1.53 0.00 0.00 34.83 33.42 1otf s MET 46 CO 0.13 -0.15 1.21 -2.14 -2.03 0.00 0.00 175.02 172.03 1otf s PRO 47 N -2.87 2.28 0.57 3.16 0.02 -1.26 0.20 135.00 137.10 1otf s PRO 47 Ca -0.03 1.76 0.25 0.00 0.02 0.00 0.00 61.00 63.01 1otf s PRO 47 Cb 0.00 -1.85 1.64 0.00 0.02 0.00 0.00 34.50 34.32 1otf s PRO 47 CO -0.06 -1.73 2.21 -0.22 -0.33 0.00 0.00 177.00 176.88 1otf h LYS 48 N -0.11 0.00 -0.55 5.54 3.64 -1.95 0.99 116.57 124.13 1otf h LYS 48 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1otf h LYS 48 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1otf h LYS 48 CO 0.51 0.00 0.00 0.27 -2.27 0.00 0.00 179.45 177.96 1otf n ASN 49 N -4.06 2.99 -0.91 4.20 6.94 -1.26 -2.63 115.26 120.53 1otf n ASN 49 Ca -0.03 -2.12 0.12 0.00 -0.02 0.00 0.00 54.58 52.54 1otf n ASN 49 Cb 0.10 -0.39 0.10 0.00 -2.36 0.00 0.00 39.78 37.24 1otf n ASN 49 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1otf n HIS 50 N 0.88 0.00 -3.84 -2.53 8.25 0.34 -4.87 115.22 113.45 1otf n HIS 50 Ca 0.17 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.28 1otf n HIS 50 Cb 0.51 -0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.49 1otf n HIS 50 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1otf s PHE 51 N -2.03 3.01 -0.20 4.41 5.36 -1.08 -5.00 117.98 122.46 1otf s PHE 51 Ca 0.28 -0.73 -0.05 0.00 -0.96 0.00 0.00 56.93 55.47 1otf s PHE 51 Cb 0.20 -2.16 -0.03 0.00 -0.34 0.00 0.00 43.02 40.69 1otf s PHE 51 CO 0.32 -0.47 0.00 0.20 -1.46 0.00 0.00 175.22 173.81 1otf s GLY 52 N 1.54 1.73 -0.23 13.12 0.00 -1.26 0.17 107.32 122.38 1otf s GLY 52 Ca 0.06 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.82 1otf s GLY 52 CO -0.00 0.20 -0.12 -0.42 0.00 0.00 0.00 173.10 172.76 1otf s ILE 53 N 0.92 2.38 -1.44 0.90 1.01 -0.43 -4.81 121.20 119.73 1otf s ILE 53 Ca 0.01 -1.20 -0.02 0.00 0.00 0.00 0.00 60.65 59.44 1otf s ILE 53 Cb -0.14 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.13 1otf s ILE 53 CO 0.02 0.23 0.19 0.61 0.00 0.00 0.00 174.94 175.99 1otf n GLY 54 N 4.57 -0.50 0.78 6.18 0.00 -1.26 -2.51 105.19 112.45 1otf n GLY 54 Ca -0.17 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1otf n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1otf n GLY 55 N -1.08 0.68 3.26 -0.02 0.00 -1.26 -5.07 105.19 101.70 1otf n GLY 55 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1otf n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1otf s GLU 56 N -0.72 2.01 0.26 1.61 0.41 -1.04 -5.11 118.70 116.11 1otf s GLU 56 Ca 0.00 -0.84 -0.31 0.00 -0.41 0.00 0.00 54.97 53.41 1otf s GLU 56 Cb 0.00 -1.89 -0.12 0.00 -1.78 0.00 0.00 34.13 30.34 1otf s GLU 56 CO 0.00 0.48 1.55 -2.30 -0.49 0.00 0.00 175.26 174.50 1otf n PRO 57 N 2.60 2.47 -0.28 0.39 -0.02 -1.26 -1.32 135.00 137.58 1otf n PRO 57 Ca -0.16 0.88 0.17 0.00 -2.02 0.00 0.00 63.50 62.37 1otf n PRO 57 Cb 0.52 -2.63 0.45 0.00 -0.02 0.00 0.00 33.50 31.82 1otf n PRO 57 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1otf h ALA 58 N 4.93 2.04 0.00 3.55 0.00 -0.40 0.37 119.26 129.75 1otf h ALA 58 Ca -0.46 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1otf h ALA 58 Cb 1.24 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1otf h ALA 58 CO 0.81 -0.35 -0.05 0.66 0.00 0.00 0.00 179.25 180.32 1otf h SER 59 N 0.53 0.00 0.00 0.00 4.64 -1.82 -3.50 113.55 113.40 1otf h SER 59 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1otf h SER 59 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1otf h SER 59 CO -0.24 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.06