#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 0.92 -0.05 0.52 1.01 -1.26 -2.11 121.20 120.22 1otf s ILE 3 Ca 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.24 1otf s ILE 3 Cb 0.00 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.67 1otf s ILE 3 CO 0.00 0.27 -0.24 0.00 0.00 0.00 0.00 174.94 174.97 1otf s ALA 4 N -0.08 2.09 -0.19 9.38 0.00 -0.47 -5.00 121.76 127.49 1otf s ALA 4 Ca 0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 1otf s ALA 4 Cb -0.07 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1otf s ALA 4 CO 0.00 0.41 -0.13 -1.14 0.00 0.00 0.00 175.76 174.90 1otf s GLN 5 N -0.18 3.17 -0.22 0.00 0.74 -1.26 -0.47 119.66 121.44 1otf s GLN 5 Ca -0.03 -0.74 -0.05 0.00 0.05 0.00 0.00 55.36 54.59 1otf s GLN 5 Cb -0.13 -2.75 -0.02 0.00 1.10 0.00 0.00 33.01 31.21 1otf s GLN 5 CO 0.03 -0.18 0.01 -0.51 -0.55 0.00 0.00 175.29 174.09 1otf s LEU 6 N 1.30 3.18 -0.48 3.68 1.43 0.93 -4.98 118.68 123.74 1otf s LEU 6 Ca 0.04 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 1otf s LEU 6 Cb -0.14 -1.82 0.09 0.00 0.03 0.00 0.00 46.19 44.35 1otf s LEU 6 CO -0.08 0.00 0.40 -0.31 0.23 0.00 0.00 176.35 176.60 1otf s TYR 7 N 1.38 3.27 0.19 0.29 1.51 -1.26 0.35 117.35 123.09 1otf s TYR 7 Ca 0.05 -1.20 0.10 0.00 -1.01 0.00 0.00 57.07 55.01 1otf s TYR 7 Cb -0.15 -3.35 -0.04 0.00 -0.11 0.00 0.00 41.96 38.31 1otf s TYR 7 CO 0.01 -0.88 -0.20 0.96 -1.11 0.00 0.00 175.55 174.33 1otf s ILE 8 N 1.57 2.04 0.20 2.71 -4.36 -0.82 -5.00 121.20 117.55 1otf s ILE 8 Ca 0.04 -2.04 -0.17 0.00 -0.26 0.00 0.00 60.65 58.22 1otf s ILE 8 Cb -0.26 -1.99 -0.08 0.00 1.25 0.00 0.00 42.46 41.38 1otf s ILE 8 CO 0.04 -0.30 0.66 -0.63 0.24 0.00 0.00 174.94 174.96 1otf s ILE 9 N -2.09 4.68 0.83 8.37 1.01 -1.26 -1.79 121.20 130.95 1otf s ILE 9 Ca 0.19 1.09 -0.16 0.00 0.00 0.00 0.00 60.65 61.77 1otf s ILE 9 Cb -0.06 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.53 1otf s ILE 9 CO 0.09 0.19 -0.12 -0.62 0.00 0.00 0.00 174.94 174.47 1otf n GLU 10 N 0.67 0.02 0.00 2.79 1.02 -0.54 -4.45 120.64 120.15 1otf n GLU 10 Ca -0.03 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1otf n GLU 10 Cb 0.51 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 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 2.48 1.39 3.85 0.62 0.00 -1.26 -4.92 105.19 107.34 1otf n GLY 11 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 3.95 0.75 1.61 1.81 -1.26 -5.06 118.95 120.75 1otf s ARG 12 Ca 0.00 0.48 -0.11 0.00 -1.72 0.00 0.00 55.73 54.37 1otf s ARG 12 Cb 0.00 -2.75 0.05 0.00 -0.45 0.00 0.00 34.95 31.80 1otf s ARG 12 CO 0.00 0.37 1.13 0.95 -0.68 0.00 0.00 175.30 177.06 1otf s THR 13 N -1.67 2.73 0.18 0.02 -4.23 -1.26 -4.87 115.64 106.54 1otf s THR 13 Ca 0.44 0.21 -0.13 0.00 -1.18 0.00 0.00 61.69 61.03 1otf s THR 13 Cb -0.13 -3.23 0.08 0.00 1.34 0.00 0.00 72.50 70.56 1otf s THR 13 CO 0.20 -0.30 1.83 0.44 -0.54 0.00 0.00 174.62 176.25 1otf h ASP 14 N -0.83 0.59 0.02 3.99 5.19 -1.99 -0.75 116.42 122.64 1otf h ASP 14 Ca -0.45 -0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 55.83 1otf h ASP 14 Cb 1.29 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 1otf h ASP 14 CO 0.65 0.42 -0.38 -0.08 -3.12 0.00 0.00 179.24 176.73 1otf h GLU 15 N 0.71 0.47 -0.75 3.56 4.81 -1.99 -0.36 114.58 121.03 1otf h GLU 15 Ca 0.21 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1otf h GLU 15 Cb -0.04 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1otf h GLU 15 CO -0.06 0.78 0.49 1.96 -0.73 0.00 0.00 179.01 181.45 1otf h GLN 16 N 0.40 0.99 -0.17 1.92 4.20 -1.73 -1.92 115.11 118.79 1otf h GLN 16 Ca 0.04 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 1otf h GLN 16 Cb 0.85 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1otf h GLN 16 CO 0.07 0.67 -0.35 0.87 -0.67 0.00 0.00 178.83 179.42 1otf h LYS 17 N 1.02 0.37 -0.54 1.46 1.57 -0.40 -1.96 116.57 118.10 1otf h LYS 17 Ca 0.27 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1otf h LYS 17 Cb -0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1otf h LYS 17 CO -0.06 0.67 0.19 1.49 -0.57 0.00 0.00 179.45 181.17 1otf h GLU 18 N 0.31 0.82 -0.11 3.15 4.81 -0.45 -0.76 114.58 122.35 1otf h GLU 18 Ca 0.04 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1otf h GLU 18 Cb 0.76 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1otf h GLU 18 CO 0.06 0.74 0.05 1.15 -0.73 0.00 0.00 179.01 180.27 1otf h THR 19 N 0.74 0.99 -0.42 0.32 2.02 -1.14 -1.20 112.91 114.21 1otf h THR 19 Ca 0.18 -0.04 0.09 0.00 0.77 0.00 0.00 66.41 67.41 1otf h THR 19 Cb 0.24 0.87 -0.09 0.00 -1.74 0.00 0.00 68.15 67.44 1otf h THR 19 CO -0.01 0.02 -0.15 0.25 0.37 0.00 0.00 175.52 176.00 1otf h LEU 20 N 0.11 -0.54 -0.23 2.58 5.85 -1.15 -0.20 115.31 121.73 1otf h LEU 20 Ca 0.05 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1otf h LEU 20 Cb 0.02 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1otf h LEU 20 CO -0.04 -0.19 0.15 0.40 -0.34 0.00 0.00 178.44 178.42 1otf h ILE 21 N -0.06 1.08 -0.20 4.05 2.04 -0.92 -0.75 117.51 122.75 1otf h ILE 21 Ca 0.21 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1otf h ILE 21 Cb 0.38 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1otf h ILE 21 CO -0.47 0.07 0.09 -0.09 0.00 0.00 0.00 178.15 177.76 1otf h ARG 22 N 0.30 0.29 -0.08 2.37 2.43 -0.17 -1.82 114.38 117.69 1otf h ARG 22 Ca 0.08 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1otf h ARG 22 Cb -0.01 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1otf h ARG 22 CO -0.02 0.32 -0.10 1.96 -1.51 0.00 0.00 179.97 180.62 1otf h GLN 23 N 0.19 0.22 -0.69 0.20 4.20 -0.98 0.13 115.11 118.38 1otf h GLN 23 Ca 0.07 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1otf h GLN 23 Cb 0.12 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 1otf h GLN 23 CO -0.01 0.67 0.45 0.28 -0.67 0.00 0.00 178.83 179.55 1otf h VAL 24 N -0.22 1.16 -0.34 -0.54 2.07 -1.18 -2.45 116.25 114.76 1otf h VAL 24 Ca 0.01 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1otf h VAL 24 Cb 0.64 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1otf h VAL 24 CO 0.02 0.17 0.18 0.28 0.02 0.00 0.00 177.57 178.24 1otf h SER 25 N 0.92 0.43 0.20 0.57 0.02 -1.07 -1.30 113.55 113.31 1otf h SER 25 Ca 0.26 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1otf h SER 25 Cb -0.08 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1otf h SER 25 CO -0.07 0.41 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.53 1otf h GLU 26 N 0.42 0.00 -0.27 3.45 5.08 -0.58 -0.91 114.58 121.77 1otf h GLU 26 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1otf h GLU 26 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1otf h GLU 26 CO -0.02 0.17 0.13 0.00 -1.00 0.00 0.00 179.01 178.29 1otf h ALA 27 N 1.83 0.35 -0.25 3.43 0.00 -0.99 -1.46 119.26 122.17 1otf h ALA 27 Ca -0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1otf h ALA 27 Cb 0.31 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1otf h ALA 27 CO 0.02 -0.09 -0.42 0.52 0.00 0.00 0.00 179.25 179.28 1otf h MET 28 N 0.30 0.72 -0.85 0.00 2.86 -0.76 -2.33 114.93 114.87 1otf h MET 28 Ca 0.09 -0.44 -0.03 0.00 -2.06 0.00 0.00 59.70 57.26 1otf h MET 28 Cb 0.12 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 1otf h MET 28 CO -0.01 1.07 0.41 0.00 1.06 0.00 0.00 176.91 179.44 1otf h ALA 29 N 0.65 1.10 -0.14 6.32 0.00 -1.01 -2.56 119.26 123.62 1otf h ALA 29 Ca 0.02 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 1otf h ALA 29 Cb 1.01 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1otf h ALA 29 CO 0.09 0.66 -0.72 -0.91 0.00 0.00 0.00 179.25 178.37 1otf h ASN 30 N 1.21 0.73 -0.51 0.00 2.35 -1.25 -1.25 115.58 116.86 1otf h ASN 30 Ca 0.29 -0.47 -0.08 0.00 -0.55 0.00 0.00 56.30 55.49 1otf h ASN 30 Cb 0.11 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1otf h ASN 30 CO -0.04 1.23 0.00 0.28 -1.65 0.00 0.00 177.43 177.26 1otf h SER 31 N 0.44 0.88 0.47 5.81 0.02 -1.41 -3.26 113.55 116.50 1otf h SER 31 Ca -0.03 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1otf h SER 31 Cb 1.32 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1otf h SER 31 CO 0.14 0.97 -0.85 0.18 -1.14 0.00 0.00 176.83 176.13 1otf n LEU 32 N -4.31 0.63 -2.99 5.07 4.77 -0.97 -4.97 117.00 114.24 1otf n LEU 32 Ca 0.01 -0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1otf n LEU 32 Cb 0.32 -0.13 0.07 0.00 -2.33 0.00 0.00 43.42 41.34 1otf n LEU 32 CO 0.43 0.06 0.19 -0.67 -1.33 0.00 0.00 177.39 176.07 1otf n ASP 33 N -1.85 -5.14 -4.70 -1.43 2.03 -0.56 -5.02 116.55 99.89 1otf n ASP 33 Ca 0.03 -0.44 -0.26 0.00 0.52 0.00 0.00 54.79 54.64 1otf n ASP 33 Cb 0.41 -4.15 -0.07 0.00 -0.72 0.00 0.00 41.12 36.58 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 -3.26 3.30 0.12 -1.67 0.00 -0.71 -5.04 121.76 114.51 1otf s ALA 34 Ca 0.42 -1.35 -0.31 0.00 0.00 0.00 0.00 51.96 50.72 1otf s ALA 34 Cb -0.19 -1.08 -0.09 0.00 0.00 0.00 0.00 23.12 21.76 1otf s ALA 34 CO 0.59 0.46 1.58 -2.14 0.00 0.00 0.00 175.76 176.25 1otf s PRO 35 N -3.07 4.22 0.45 0.00 0.02 -1.26 -4.64 135.00 130.72 1otf s PRO 35 Ca 0.29 2.32 0.13 0.00 0.02 0.00 0.00 61.00 63.75 1otf s PRO 35 Cb -0.09 -3.35 1.05 0.00 0.02 0.00 0.00 34.50 32.12 1otf s PRO 35 CO 0.20 -0.64 2.04 1.25 -0.33 0.00 0.00 177.00 179.52 1otf h LEU 36 N 7.56 0.30 -1.85 -5.54 5.85 -1.93 -1.46 115.31 118.24 1otf h LEU 36 Ca -0.42 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1otf h LEU 36 Cb 1.20 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1otf h LEU 36 CO 0.92 0.20 0.00 1.05 -0.34 0.00 0.00 178.44 180.27 1otf h GLU 37 N 0.35 0.00 -0.02 1.25 9.09 -2.00 -1.44 114.58 121.80 1otf h GLU 37 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.59 1otf h GLU 37 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 1otf h GLU 37 CO -0.04 0.00 -0.04 0.54 0.05 0.00 0.00 179.01 179.51 1otf n ARG 38 N -2.96 2.01 -2.65 1.06 1.74 -0.55 -4.92 116.66 110.38 1otf n ARG 38 Ca -0.00 -1.54 -0.41 0.00 -0.77 0.00 0.00 57.85 55.13 1otf n ARG 38 Cb 0.21 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 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 -2.05 4.28 -0.01 1.55 1.01 -0.55 -3.80 120.40 120.83 1otf s VAL 39 Ca 0.30 1.92 0.08 0.00 0.00 0.00 0.00 61.98 64.28 1otf s VAL 39 Cb 0.20 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1otf s VAL 39 CO 0.34 0.30 -0.26 -0.13 0.00 0.00 0.00 175.10 175.36 1otf s ARG 40 N -0.11 2.09 -0.04 2.72 1.81 -0.90 -5.01 118.95 119.52 1otf s ARG 40 Ca 0.48 -0.94 0.03 0.00 -1.72 0.00 0.00 55.73 53.58 1otf s ARG 40 Cb -0.25 -2.05 0.01 0.00 -0.45 0.00 0.00 34.95 32.21 1otf s ARG 40 CO 0.31 0.56 -0.11 0.08 -0.68 0.00 0.00 175.30 175.46 1otf s VAL 41 N -0.64 1.00 -0.15 3.52 1.01 -1.26 -1.37 120.40 122.51 1otf s VAL 41 Ca 0.10 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1otf s VAL 41 Cb -0.10 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 1otf s VAL 41 CO -0.01 0.31 -0.16 -0.76 0.00 0.00 0.00 175.10 174.48 1otf s LEU 42 N 0.31 2.45 -0.26 3.92 1.43 0.38 -4.96 118.68 121.95 1otf s LEU 42 Ca -0.06 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 1otf s LEU 42 Cb -0.11 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 1otf s LEU 42 CO 0.02 0.10 0.26 -0.63 0.23 0.00 0.00 176.35 176.32 1otf s ILE 43 N 0.73 5.27 -0.38 -0.59 1.01 -1.26 -0.05 121.20 125.93 1otf s ILE 43 Ca -0.07 0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.89 1otf s ILE 43 Cb -0.16 -3.59 0.09 0.00 0.01 0.00 0.00 42.46 38.81 1otf s ILE 43 CO 0.01 0.25 0.16 -0.89 0.00 0.00 0.00 174.94 174.47 1otf s THR 44 N 1.62 3.34 0.01 2.92 2.01 0.15 -4.94 115.64 120.77 1otf s THR 44 Ca 0.11 -1.80 -0.01 0.00 0.31 0.00 0.00 61.69 60.30 1otf s THR 44 Cb -0.15 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1otf s THR 44 CO 0.09 -0.52 0.15 -0.70 -0.69 0.00 0.00 174.62 172.95 1otf s GLU 45 N 1.21 3.28 0.06 4.92 2.12 -1.26 -1.94 118.70 127.09 1otf s GLU 45 Ca 0.04 -0.43 -0.04 0.00 0.36 0.00 0.00 54.97 54.91 1otf s GLU 45 Cb -0.22 -2.98 -0.02 0.00 0.26 0.00 0.00 34.13 31.16 1otf s GLU 45 CO -0.03 0.64 0.05 0.00 -0.54 0.00 0.00 175.26 175.39 1otf s MET 46 N -2.04 0.65 0.65 4.30 0.23 -0.74 -4.93 119.30 117.41 1otf s MET 46 Ca 0.28 -1.02 -0.18 0.00 -1.03 0.00 0.00 55.69 53.74 1otf s MET 46 Cb -0.12 0.24 -0.02 0.00 -1.53 0.00 0.00 34.83 33.40 1otf s MET 46 CO 0.20 -0.15 1.17 -2.30 -2.03 0.00 0.00 175.02 171.90 1otf n PRO 47 N 0.29 0.95 -0.01 3.16 -0.02 -1.26 -1.47 135.00 136.65 1otf n PRO 47 Ca -0.16 0.38 0.10 0.00 -2.02 0.00 0.00 63.50 61.81 1otf n PRO 47 Cb 0.60 -2.40 0.52 0.00 -0.02 0.00 0.00 33.50 32.21 1otf n PRO 47 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1otf h LYS 48 N 0.37 0.33 -0.02 -0.52 3.64 -1.95 0.39 116.57 118.81 1otf h LYS 48 Ca -0.50 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1otf h LYS 48 Cb 1.35 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1otf h LYS 48 CO 0.51 0.22 0.00 0.27 -2.27 0.00 0.00 179.45 178.18 1otf n ASN 49 N -4.47 0.50 -0.69 4.20 6.94 -1.26 -3.02 115.26 117.46 1otf n ASN 49 Ca 0.06 -1.29 0.13 0.00 -0.02 0.00 0.00 54.58 53.46 1otf n ASN 49 Cb 0.28 -0.01 0.27 0.00 -2.36 0.00 0.00 39.78 37.96 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 -0.55 0.00 -4.12 -2.53 8.25 0.14 -4.82 115.22 111.58 1otf n HIS 50 Ca 0.20 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.32 1otf n HIS 50 Cb 0.17 -0.01 -0.15 0.00 1.12 0.00 0.00 29.99 31.13 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 -2.08 2.86 -0.12 4.41 5.36 -1.17 -5.00 117.98 122.25 1otf s PHE 51 Ca 0.31 -1.18 -0.02 0.00 -0.96 0.00 0.00 56.93 55.08 1otf s PHE 51 Cb 0.20 -1.99 -0.03 0.00 -0.34 0.00 0.00 43.02 40.86 1otf s PHE 51 CO 0.35 -0.61 -0.04 0.20 -1.46 0.00 0.00 175.22 173.67 1otf s GLY 52 N 1.25 1.74 -0.24 13.12 0.00 -1.26 0.75 107.32 122.68 1otf s GLY 52 Ca 0.03 -0.84 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 1otf s GLY 52 CO -0.06 -0.34 0.05 -0.42 0.00 0.00 0.00 173.10 172.33 1otf s ILE 53 N -0.23 0.74 -1.92 0.90 1.01 0.12 -4.82 121.20 117.01 1otf s ILE 53 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1otf s ILE 53 Cb -0.13 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.02 1otf s ILE 53 CO 0.02 -0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.22 1otf n GLY 54 N 4.94 0.55 0.00 6.18 0.00 -1.26 -2.45 105.19 113.16 1otf n GLY 54 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.73 0.59 3.12 -0.02 0.00 -1.26 -5.07 105.19 101.82 1otf n GLY 55 Ca -0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.81 1.88 0.24 1.61 0.41 -1.02 -5.10 118.70 115.90 1otf s GLU 56 Ca 0.00 -0.60 -0.31 0.00 -0.41 0.00 0.00 54.97 53.66 1otf s GLU 56 Cb 0.00 -1.59 -0.14 0.00 -1.78 0.00 0.00 34.13 30.62 1otf s GLU 56 CO 0.00 0.20 1.26 -0.35 -0.49 0.00 0.00 175.26 175.88 1otf n PRO 57 N 3.31 1.68 -0.23 0.39 -0.04 -1.26 0.15 135.00 138.99 1otf n PRO 57 Ca -0.19 0.59 0.21 0.00 -0.04 0.00 0.00 63.50 64.08 1otf n PRO 57 Cb 0.53 -2.15 0.56 0.00 -0.04 0.00 0.00 33.50 32.39 1otf n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1otf h ALA 58 N 3.45 2.35 0.00 0.55 0.00 0.30 0.02 119.26 125.93 1otf h ALA 58 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1otf h ALA 58 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1otf h ALA 58 CO 0.70 -0.64 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 1otf n SER 59 N -4.47 0.00 0.00 0.00 3.41 -1.22 -5.00 113.62 106.34 1otf n SER 59 Ca 0.20 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 1otf n SER 59 Cb 0.77 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 1otf n SER 59 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17