#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ofy s VAL 4 N 0.00 4.43 0.48 5.15 0.11 -1.26 -5.07 120.40 124.24 2ofy s VAL 4 Ca 0.00 0.80 -0.19 0.00 -2.93 0.00 0.00 61.98 59.67 2ofy s VAL 4 Cb 0.00 -4.46 -0.09 0.00 -1.53 0.00 0.00 36.38 30.30 2ofy s VAL 4 CO 0.00 -0.86 0.97 -2.84 -3.33 0.00 0.00 175.10 169.04 2ofy s PRO 5 N 3.85 4.05 0.65 1.54 0.02 -1.26 -5.04 135.00 138.81 2ofy s PRO 5 Ca 0.38 1.06 -0.15 0.00 0.02 0.00 0.00 61.00 62.32 2ofy s PRO 5 Cb -0.10 -2.15 -0.00 0.00 0.02 0.00 0.00 34.50 32.27 2ofy s PRO 5 CO 0.27 -0.19 1.11 -0.51 -0.33 0.00 0.00 177.00 177.36 2ofy s LEU 6 N -3.64 3.42 0.58 -5.54 1.43 -1.26 -5.06 118.68 108.62 2ofy s LEU 6 Ca 0.61 2.02 -0.07 0.00 -1.03 0.00 0.00 54.13 55.67 2ofy s LEU 6 Cb -0.10 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.56 2ofy s LEU 6 CO 0.22 -1.61 0.91 0.42 0.23 0.00 0.00 176.35 176.52 2ofy s THR 7 N -2.28 3.94 0.22 5.49 -4.23 -1.26 -4.92 115.64 112.61 2ofy s THR 7 Ca 0.68 0.14 -0.07 0.00 -1.18 0.00 0.00 61.69 61.26 2ofy s THR 7 Cb -0.21 -3.56 0.17 0.00 1.34 0.00 0.00 72.50 70.24 2ofy s THR 7 CO 0.40 -0.60 1.78 0.00 -0.54 0.00 0.00 174.62 175.67 2ofy h ALA 8 N -0.15 0.98 -0.71 3.99 0.00 -2.00 -2.04 119.26 119.32 2ofy h ALA 8 Ca -0.46 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2ofy h ALA 8 Cb 1.24 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2ofy h ALA 8 CO 0.61 -0.03 0.41 0.93 0.00 0.00 0.00 179.25 181.17 2ofy h GLU 9 N 0.62 0.98 -0.26 0.00 3.07 -1.99 -1.02 114.58 115.98 2ofy h GLU 9 Ca 0.34 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 59.10 2ofy h GLU 9 Cb 0.34 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 2ofy h GLU 9 CO -0.26 0.71 0.13 0.93 -1.40 0.00 0.00 179.01 179.12 2ofy h GLU 10 N 0.97 0.37 -0.43 2.33 5.08 -1.82 -0.58 114.58 120.50 2ofy h GLU 10 Ca 0.25 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2ofy h GLU 10 Cb -0.00 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2ofy h GLU 10 CO -0.04 0.36 0.22 1.25 -1.00 0.00 0.00 179.01 179.80 2ofy h LEU 11 N 0.29 0.55 -0.69 1.33 5.85 -1.18 -1.76 115.31 119.70 2ofy h LEU 11 Ca 0.09 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2ofy h LEU 11 Cb 0.11 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2ofy h LEU 11 CO -0.01 0.50 0.27 -0.08 -0.34 0.00 0.00 178.44 178.78 2ofy h GLU 12 N 0.56 1.04 -0.76 1.25 4.81 -1.10 -0.13 114.58 120.25 2ofy h GLU 12 Ca 0.15 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2ofy h GLU 12 Cb 0.08 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 2ofy h GLU 12 CO -0.02 0.87 0.50 0.00 -0.73 0.00 0.00 179.01 179.63 2ofy h ARG 13 N 0.99 1.01 -0.28 1.92 3.08 -0.88 0.04 114.38 120.25 2ofy h ARG 13 Ca 0.23 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.22 2ofy h ARG 13 Cb 0.23 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2ofy h ARG 13 CO -0.02 0.67 0.18 0.78 -1.07 0.00 0.00 179.97 180.51 2ofy h GLY 14 N 1.03 0.40 0.95 0.04 0.00 -0.95 -0.83 103.07 103.70 2ofy h GLY 14 Ca 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 2ofy h GLY 14 CO -0.06 0.13 0.16 1.46 0.00 0.00 0.00 176.54 178.23 2ofy h GLN 15 N 0.36 0.47 -0.69 4.80 4.20 -0.68 -1.41 115.11 122.17 2ofy h GLN 15 Ca 0.11 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.80 2ofy h GLN 15 Cb -0.02 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 2ofy h GLN 15 CO -0.04 0.42 0.41 0.00 -0.67 0.00 0.00 178.83 178.96 2ofy h ARG 16 N 0.40 0.76 -0.42 1.46 3.08 -0.85 -0.94 114.38 117.86 2ofy h ARG 16 Ca 0.11 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.13 2ofy h ARG 16 Cb 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2ofy h ARG 16 CO -0.02 0.50 0.27 1.25 -1.07 0.00 0.00 179.97 180.90 2ofy h LEU 17 N 0.78 0.45 -0.38 3.04 5.85 -0.97 -1.01 115.31 123.07 2ofy h LEU 17 Ca 0.29 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 2ofy h LEU 17 Cb 0.10 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2ofy h LEU 17 CO -0.14 0.32 0.23 1.23 -0.34 0.00 0.00 178.44 179.75 2ofy h GLY 18 N 0.54 0.55 1.01 3.75 0.00 -0.81 -1.19 103.07 106.92 2ofy h GLY 18 Ca 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2ofy h GLY 18 CO -0.05 0.22 0.43 -2.09 0.00 0.00 0.00 176.54 175.05 2ofy h GLU 19 N 0.50 1.04 -0.56 4.80 4.81 -0.95 0.78 114.58 125.01 2ofy h GLU 19 Ca 0.14 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2ofy h GLU 19 Cb -0.01 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 2ofy h GLU 19 CO -0.03 0.76 0.16 1.25 -0.73 0.00 0.00 179.01 180.42 2ofy h LEU 20 N 1.03 0.82 -0.49 1.64 5.85 -0.78 -0.55 115.31 122.84 2ofy h LEU 20 Ca 0.27 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 2ofy h LEU 20 Cb 0.01 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2ofy h LEU 20 CO -0.05 0.83 0.02 -0.07 -0.34 0.00 0.00 178.44 178.83 2ofy h LEU 21 N 0.78 0.83 -0.39 2.25 3.38 -0.92 -0.10 115.31 121.14 2ofy h LEU 21 Ca 0.18 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2ofy h LEU 21 Cb 0.31 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2ofy h LEU 21 CO -0.00 0.92 0.21 -0.09 0.09 0.00 0.00 178.44 179.57 2ofy h ARG 22 N 0.72 0.54 -0.73 1.13 9.65 -0.61 -0.20 114.38 124.87 2ofy h ARG 22 Ca 0.14 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 58.91 2ofy h ARG 22 Cb 0.48 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.92 2ofy h ARG 22 CO 0.02 0.44 0.26 0.77 2.80 0.00 0.00 179.97 184.27 2ofy h SER 23 N 0.50 1.03 -0.16 -3.80 0.02 -0.93 -1.95 113.55 108.25 2ofy h SER 23 Ca 0.14 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 2ofy h SER 23 Cb 0.06 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 2ofy h SER 23 CO -0.02 0.94 -0.07 0.00 -1.14 0.00 0.00 176.83 176.54 2ofy h ALA 24 N 1.13 1.33 -0.58 3.77 0.00 -0.69 -2.45 119.26 121.76 2ofy h ALA 24 Ca 0.24 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2ofy h ALA 24 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2ofy h ALA 24 CO -0.01 0.46 0.06 -0.09 0.00 0.00 0.00 179.25 179.66 2ofy h ARG 25 N 0.46 0.99 0.00 0.00 2.43 -0.56 -3.46 114.38 114.24 2ofy h ARG 25 Ca 0.09 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2ofy h ARG 25 Cb 0.41 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2ofy h ARG 25 CO 0.02 0.96 0.00 0.41 -1.51 0.00 0.00 179.97 179.85 2ofy n GLY 26 N -0.49 3.65 3.17 2.80 0.00 -0.78 -4.85 105.19 108.69 2ofy n GLY 26 Ca 0.03 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2ofy n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ofy n ASP 27 N 5.33 4.79 0.00 1.61 8.00 -1.26 -5.01 116.55 130.01 2ofy n ASP 27 Ca 0.00 -2.96 0.00 0.00 0.71 0.00 0.00 54.79 52.54 2ofy n ASP 27 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 39.48 2ofy n ASP 27 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2ofy n SER 29 N 6.02 0.02 0.00 -2.24 2.88 -1.26 -5.20 113.62 113.84 2ofy n SER 29 Ca 0.44 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 2ofy n SER 29 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2ofy n SER 29 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2ofy n VAL 31 N 0.00 0.00 -0.04 2.46 0.31 -1.26 -1.68 118.33 118.11 2ofy n VAL 31 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 2ofy n VAL 31 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 2ofy n VAL 31 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2ofy h THR 32 N 0.00 1.16 -0.12 2.52 2.02 -2.01 0.10 112.91 116.59 2ofy h THR 32 Ca 0.00 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 66.73 2ofy h THR 32 Cb 0.00 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 2ofy h THR 32 CO 0.00 0.15 -0.23 0.58 0.37 0.00 0.00 175.52 176.40 2ofy h VAL 33 N 0.10 0.45 -0.41 3.16 2.07 -1.76 -0.47 116.25 119.38 2ofy h VAL 33 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2ofy h VAL 33 Cb 0.19 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2ofy h VAL 33 CO -0.00 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.82 2ofy h ALA 34 N 0.66 0.52 -0.14 1.67 0.00 -1.78 -1.00 119.26 119.19 2ofy h ALA 34 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ofy h ALA 34 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2ofy h ALA 34 CO -0.29 -0.09 0.09 0.35 0.00 0.00 0.00 179.25 179.31 2ofy h PHE 35 N 0.48 0.17 0.00 0.00 3.57 -0.57 0.76 116.94 121.36 2ofy h PHE 35 Ca 0.16 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 2ofy h PHE 35 Cb 0.01 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2ofy h PHE 35 CO -0.07 0.11 -0.40 -0.44 -2.23 0.00 0.00 178.31 175.27 2ofy h ASP 36 N 0.19 0.00 0.97 0.41 3.32 -0.84 -2.67 116.42 117.78 2ofy h ASP 36 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2ofy h ASP 36 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2ofy h ASP 36 CO -0.01 0.40 -0.40 0.00 -1.72 0.00 0.00 179.24 177.51 2ofy n ALA 37 N -2.44 2.81 -2.45 3.45 0.00 -0.40 -4.96 120.51 116.52 2ofy n ALA 37 Ca -0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 53.44 53.18 2ofy n ALA 37 Cb 0.44 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.64 2ofy n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ofy n GLY 38 N 1.37 0.47 3.45 0.00 0.00 -0.10 -4.81 105.19 105.58 2ofy n GLY 38 Ca 0.04 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 2ofy n GLY 38 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ofy s ILE 39 N -2.70 0.81 0.52 -0.61 -4.36 0.07 -5.03 121.20 109.90 2ofy s ILE 39 Ca 0.07 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.38 2ofy s ILE 39 Cb -0.03 -2.57 -0.04 0.00 1.25 0.00 0.00 42.46 41.07 2ofy s ILE 39 CO 0.08 0.00 0.88 -0.94 0.24 0.00 0.00 174.94 175.20 2ofy s SER 40 N -3.51 6.29 0.24 4.36 1.04 -1.26 -4.19 113.70 116.67 2ofy s SER 40 Ca 0.31 1.14 -0.04 0.00 0.48 0.00 0.00 55.95 57.84 2ofy s SER 40 Cb 0.06 -2.34 0.27 0.00 0.10 0.00 0.00 66.02 64.11 2ofy s SER 40 CO 0.15 -0.67 1.79 0.58 0.98 0.00 0.00 173.24 176.07 2ofy h VAL 41 N 0.13 1.24 -0.61 5.02 2.07 -1.94 -1.76 116.25 120.40 2ofy h VAL 41 Ca -0.46 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.28 2ofy h VAL 41 Cb 1.20 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 2ofy h VAL 41 CO 0.62 0.33 0.27 -0.33 0.02 0.00 0.00 177.57 178.48 2ofy h GLU 42 N 0.96 0.47 -0.41 1.57 4.39 -1.99 0.20 114.58 119.76 2ofy h GLU 42 Ca 0.21 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 2ofy h GLU 42 Cb 0.30 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2ofy h GLU 42 CO -0.00 0.31 0.22 1.15 -1.16 0.00 0.00 179.01 179.53 2ofy h THR 43 N 0.48 1.16 -0.54 1.13 2.02 -1.81 -1.63 112.91 113.72 2ofy h THR 43 Ca 0.30 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 2ofy h THR 43 Cb 0.31 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2ofy h THR 43 CO -0.26 0.17 0.19 0.25 0.37 0.00 0.00 175.52 176.23 2ofy h LEU 44 N 0.53 0.78 -0.33 2.58 5.85 -0.68 0.25 115.31 124.28 2ofy h LEU 44 Ca 0.14 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2ofy h LEU 44 Cb 0.07 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2ofy h LEU 44 CO -0.02 0.76 0.17 -0.09 -0.34 0.00 0.00 178.44 178.92 2ofy h ARG 45 N 0.75 0.34 -0.71 1.25 9.65 -0.50 0.19 114.38 125.34 2ofy h ARG 45 Ca 0.18 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.98 2ofy h ARG 45 Cb 0.25 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 2ofy h ARG 45 CO -0.01 0.22 0.22 0.87 2.80 0.00 0.00 179.97 184.08 2ofy h LYS 46 N 0.35 1.11 -0.22 0.20 1.57 -0.84 -1.63 116.57 117.11 2ofy h LYS 46 Ca 0.13 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2ofy h LYS 46 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2ofy h LYS 46 CO -0.09 0.95 0.12 0.82 -0.57 0.00 0.00 179.45 180.68 2ofy h ILE 47 N 1.05 1.12 0.00 1.86 2.04 0.12 0.26 117.51 123.96 2ofy h ILE 47 Ca 0.23 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 2ofy h ILE 47 Cb 0.30 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2ofy h ILE 47 CO -0.01 0.12 -0.17 -0.33 0.00 0.00 0.00 178.15 177.76 2ofy h GLU 48 N 0.24 0.00 -0.44 2.37 5.08 -0.41 -2.58 114.58 118.83 2ofy h GLU 48 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2ofy h GLU 48 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2ofy h GLU 48 CO -0.01 0.17 0.00 0.25 -1.00 0.00 0.00 179.01 178.42 2ofy n THR 49 N -4.23 0.75 -2.42 1.13 -2.24 -0.63 -3.44 114.28 103.19 2ofy n THR 49 Ca -0.02 -0.87 -0.12 0.00 -2.27 0.00 0.00 64.05 60.76 2ofy n THR 49 Cb 0.24 0.72 0.01 0.00 -2.10 0.00 0.00 70.33 69.20 2ofy n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ofy n GLY 50 N 1.17 -0.06 0.73 3.38 0.00 -0.61 -4.94 105.19 104.86 2ofy n GLY 50 Ca 0.17 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.98 2ofy n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ofy n ARG 51 N -2.33 1.92 -3.51 1.61 1.74 0.81 -4.72 116.66 112.18 2ofy n ARG 51 Ca -0.11 -1.46 -0.37 0.00 -0.77 0.00 0.00 57.85 55.14 2ofy n ARG 51 Cb 0.59 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 30.48 2ofy n ARG 51 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2ofy s ILE 52 N -2.09 5.27 0.08 0.55 -1.09 -1.23 -4.96 121.20 117.72 2ofy s ILE 52 Ca 0.29 0.46 -0.26 0.00 -2.23 0.00 0.00 60.65 58.92 2ofy s ILE 52 Cb 0.20 -3.62 -0.16 0.00 -1.58 0.00 0.00 42.46 37.29 2ofy s ILE 52 CO 0.36 0.29 1.67 0.00 -1.23 0.00 0.00 174.94 176.02 2ofy h ALA 53 N 7.49 -0.22 -3.00 9.38 0.00 -1.97 -3.36 119.26 127.57 2ofy h ALA 53 Ca -0.37 -0.07 -0.61 0.00 0.00 0.00 0.00 54.91 53.86 2ofy h ALA 53 Cb 1.17 0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.64 2ofy h ALA 53 CO 0.68 -0.61 -0.72 0.95 0.00 0.00 0.00 179.25 179.55 2ofy s THR 54 N -5.99 1.63 0.34 0.00 -4.23 -1.26 -4.96 115.64 101.17 2ofy s THR 54 Ca -0.14 -2.83 -0.28 0.00 -1.18 0.00 0.00 61.69 57.25 2ofy s THR 54 Cb 0.05 -2.13 -0.12 0.00 1.34 0.00 0.00 72.50 71.64 2ofy s THR 54 CO 0.65 -0.92 1.36 -2.65 -0.54 0.00 0.00 174.62 172.52 2ofy n PRO 55 N 3.28 2.27 -2.88 3.99 -0.02 -1.26 -4.94 135.00 135.45 2ofy n PRO 55 Ca 0.11 0.80 -0.40 0.00 -2.02 0.00 0.00 63.50 61.99 2ofy n PRO 55 Cb 0.35 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 2ofy n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ofy s ALA 56 N -0.93 3.39 0.17 3.55 0.00 -1.26 -4.96 121.76 121.72 2ofy s ALA 56 Ca 0.57 0.47 -0.15 0.00 0.00 0.00 0.00 51.96 52.85 2ofy s ALA 56 Cb -0.55 -3.08 0.13 0.00 0.00 0.00 0.00 23.12 19.62 2ofy s ALA 56 CO 0.60 0.23 1.71 0.35 0.00 0.00 0.00 175.76 178.66 2ofy h PHE 57 N 4.41 0.09 -0.08 0.00 3.57 -2.00 -1.74 116.94 121.20 2ofy h PHE 57 Ca -0.46 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 60.98 2ofy h PHE 57 Cb 1.20 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 2ofy h PHE 57 CO 0.63 -0.02 -0.36 0.74 -2.23 0.00 0.00 178.31 177.07 2ofy h PHE 58 N 0.19 0.19 -0.20 0.41 0.04 -1.98 0.03 116.94 115.61 2ofy h PHE 58 Ca 0.21 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.89 2ofy h PHE 58 Cb 0.28 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 2ofy h PHE 58 CO -0.23 0.51 -0.08 1.15 -0.60 0.00 0.00 178.31 179.06 2ofy h THR 59 N 0.14 1.30 -0.59 -1.55 2.02 -1.85 -1.39 112.91 110.98 2ofy h THR 59 Ca 0.02 -1.10 -0.07 0.00 0.77 0.00 0.00 66.41 66.02 2ofy h THR 59 Cb 0.71 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 2ofy h THR 59 CO 0.05 0.33 0.09 0.40 0.37 0.00 0.00 175.52 176.76 2ofy h ILE 60 N 0.11 1.26 -0.77 3.11 1.08 -1.05 -1.31 117.51 119.93 2ofy h ILE 60 Ca 0.05 -1.01 0.07 0.00 -0.39 0.00 0.00 64.86 63.57 2ofy h ILE 60 Cb 0.55 0.76 -0.06 0.00 -3.07 0.00 0.00 36.82 34.99 2ofy h ILE 60 CO 0.03 0.37 0.45 0.00 -0.69 0.00 0.00 178.15 178.31 2ofy h ALA 61 N 1.01 1.06 -0.35 1.87 0.00 -0.93 0.13 119.26 122.05 2ofy h ALA 61 Ca 0.18 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 2ofy h ALA 61 Cb 0.44 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ofy h ALA 61 CO 0.01 0.14 -0.41 0.00 0.00 0.00 0.00 179.25 179.00 2ofy h ALA 62 N 1.39 0.52 -0.23 0.00 0.00 -0.67 -1.52 119.26 118.74 2ofy h ALA 62 Ca 0.35 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2ofy h ALA 62 Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2ofy h ALA 62 CO -0.19 0.64 -0.14 0.28 0.00 0.00 0.00 179.25 179.83 2ofy h VAL 63 N 0.69 1.31 -0.66 0.00 2.07 -0.94 -2.57 116.25 116.15 2ofy h VAL 63 Ca 0.05 -1.25 0.05 0.00 0.82 0.00 0.00 66.70 66.37 2ofy h VAL 63 Cb 1.01 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 2ofy h VAL 63 CO 0.10 0.39 0.37 0.00 0.02 0.00 0.00 177.57 178.45 2ofy h ALA 64 N 0.70 0.87 -0.63 1.67 0.00 -0.68 -1.43 119.26 119.76 2ofy h ALA 64 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ofy h ALA 64 Cb 0.66 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2ofy h ALA 64 CO 0.04 0.06 0.41 0.07 0.00 0.00 0.00 179.25 179.83 2ofy h ARG 65 N 0.69 0.84 -0.77 0.00 -0.00 -1.19 0.29 114.38 114.25 2ofy h ARG 65 Ca 0.29 -0.06 0.02 0.00 -0.00 0.00 0.00 59.98 60.24 2ofy h ARG 65 Cb 0.16 -0.19 -0.04 0.00 -0.00 0.00 0.00 29.97 29.90 2ofy h ARG 65 CO -0.17 0.56 0.51 0.28 -0.00 0.00 0.00 179.97 181.16 2ofy h VAL 66 N 0.85 1.15 -0.16 0.08 2.07 -1.00 -1.90 116.25 117.36 2ofy h VAL 66 Ca 0.23 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2ofy h VAL 66 Cb -0.08 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2ofy h VAL 66 CO -0.05 0.18 0.00 0.18 0.02 0.00 0.00 177.57 177.90 2ofy n LEU 67 N -4.44 1.35 -3.98 2.57 4.77 -0.59 -4.92 117.00 111.76 2ofy n LEU 67 Ca 0.09 -0.58 -0.28 0.00 -0.03 0.00 0.00 56.01 55.22 2ofy n LEU 67 Cb 0.08 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 2ofy n LEU 67 CO 0.35 0.29 -0.14 0.47 -1.33 0.00 0.00 177.39 177.03 2ofy n ASP 68 N 0.13 -1.42 -4.37 -1.43 8.00 -0.56 -4.97 116.55 111.93 2ofy n ASP 68 Ca 0.15 -0.97 -0.33 0.00 0.71 0.00 0.00 54.79 54.35 2ofy n ASP 68 Cb 0.27 -3.18 -0.14 0.00 -0.02 0.00 0.00 41.12 38.05 2ofy n ASP 68 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2ofy s LEU 69 N -7.03 2.64 0.01 0.64 2.96 -0.02 -5.04 118.68 112.85 2ofy s LEU 69 Ca 0.21 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.49 2ofy s LEU 69 Cb -0.11 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2ofy s LEU 69 CO 0.88 0.20 0.99 -0.55 -1.32 0.00 0.00 176.35 176.55 2ofy s SER 70 N 0.15 7.37 0.43 3.68 0.15 -1.26 -4.37 113.70 119.86 2ofy s SER 70 Ca -0.08 1.69 0.10 0.00 0.70 0.00 0.00 55.95 58.36 2ofy s SER 70 Cb -0.15 -2.57 0.94 0.00 -1.71 0.00 0.00 66.02 62.53 2ofy s SER 70 CO 0.05 -0.25 2.04 -0.07 1.20 0.00 0.00 173.24 176.21 2ofy h LEU 71 N 6.68 0.27 -0.74 3.45 3.38 -1.97 -1.99 115.31 124.39 2ofy h LEU 71 Ca -0.41 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 2ofy h LEU 71 Cb 1.22 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2ofy h LEU 71 CO 0.75 0.26 -0.10 0.44 0.09 0.00 0.00 178.44 179.88 2ofy h ASP 72 N 0.31 0.85 -0.44 -0.43 3.32 -1.99 0.54 116.42 118.58 2ofy h ASP 72 Ca 0.08 -0.26 -0.08 0.00 0.02 0.00 0.00 57.03 56.79 2ofy h ASP 72 Cb 0.09 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2ofy h ASP 72 CO -0.01 0.97 -0.00 0.44 -1.72 0.00 0.00 179.24 178.92 2ofy h ASP 73 N 0.77 0.82 -0.02 6.45 3.32 -1.79 -2.20 116.42 123.77 2ofy h ASP 73 Ca 0.13 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 2ofy h ASP 73 Cb 0.61 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 2ofy h ASP 73 CO 0.04 0.88 -0.02 0.58 -1.72 0.00 0.00 179.24 179.00 2ofy h VAL 74 N 0.79 1.41 0.00 -1.35 2.07 -1.09 -3.18 116.25 114.90 2ofy h VAL 74 Ca 0.15 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 2ofy h VAL 74 Cb 0.48 2.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2ofy h VAL 74 CO 0.02 0.33 -0.00 0.00 0.02 0.00 0.00 177.57 177.94 2ofy h ALA 75 N 0.49 1.93 -0.51 1.67 0.00 -0.85 -2.76 119.26 119.23 2ofy h ALA 75 Ca 0.00 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 2ofy h ALA 75 Cb 0.55 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2ofy h ALA 75 CO 0.00 0.00 0.42 0.00 0.00 0.00 0.00 179.25 179.67 2ofy h ALA 76 N 2.00 2.37 0.00 0.00 0.00 -1.37 -2.35 119.26 119.91 2ofy h ALA 76 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ofy h ALA 76 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ofy h ALA 76 CO 0.00 -0.68 0.00 1.33 0.00 0.00 0.00 179.25 179.90 2ofy n VAL 77 N -4.11 0.66 -4.50 0.00 0.24 -1.04 -4.85 118.33 104.72 2ofy n VAL 77 Ca 0.09 0.16 -0.25 0.00 -2.04 0.00 0.00 64.34 62.31 2ofy n VAL 77 Cb 0.63 -0.87 -0.10 0.00 -1.47 0.00 0.00 33.84 32.03 2ofy n VAL 77 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2ofy s VAL 78 N -2.80 2.31 -0.01 3.34 -7.23 -0.88 -5.12 120.40 110.00 2ofy s VAL 78 Ca 0.12 -2.29 0.04 0.00 -1.81 0.00 0.00 61.98 58.04 2ofy s VAL 78 Cb 0.12 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 2ofy s VAL 78 CO 0.29 -0.30 -0.10 0.42 -0.31 0.00 0.00 175.10 175.10 2ofy s THR 79 N -2.59 3.38 0.04 5.32 -4.23 -1.26 -5.05 115.64 111.25 2ofy s THR 79 Ca 0.31 -0.79 0.06 0.00 -1.18 0.00 0.00 61.69 60.10 2ofy s THR 79 Cb -0.01 -2.42 -0.02 0.00 1.34 0.00 0.00 72.50 71.39 2ofy s THR 79 CO 0.15 0.46 -0.18 -0.36 -0.54 0.00 0.00 174.62 174.16 2ofy s PHE 80 N -0.90 1.56 0.00 3.99 0.08 -1.26 -5.10 117.98 116.35 2ofy s PHE 80 Ca 0.15 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.83 2ofy s PHE 80 Cb -0.11 -0.93 0.00 0.00 -0.57 0.00 0.00 43.02 41.41 2ofy s PHE 80 CO 0.05 0.07 0.00 0.41 -0.10 0.00 0.00 175.22 175.65 2ofy n GLY 81 N 1.86 -1.87 3.65 4.36 0.00 -1.26 -4.89 105.19 107.04 2ofy n GLY 81 Ca -0.18 -1.65 -0.49 0.00 0.00 0.00 0.00 46.02 43.70 2ofy n GLY 81 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ofy n PRO 82 N 0.00 1.80 0.05 1.61 -0.02 -1.26 -4.92 135.00 132.26 2ofy n PRO 82 Ca 0.00 0.65 -0.10 0.00 -2.02 0.00 0.00 63.50 62.04 2ofy n PRO 82 Cb 0.00 -2.39 0.04 0.00 -0.02 0.00 0.00 33.50 31.13 2ofy n PRO 82 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2ofy h VAL 83 N 3.91 1.37 0.00 -1.45 3.04 -2.02 -3.54 116.25 117.57 2ofy h VAL 83 Ca -0.46 -2.09 0.00 0.00 -1.01 0.00 0.00 66.70 63.13 2ofy h VAL 83 Cb 1.28 2.07 0.00 0.00 -2.01 0.00 0.00 31.29 32.63 2ofy h VAL 83 CO 0.87 0.63 0.00 -1.54 -1.01 0.00 0.00 177.57 176.52