#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ofy s LEU 6 N 0.00 3.46 0.30 1.53 2.96 -1.26 -5.04 118.68 120.62 2ofy s LEU 6 Ca 0.00 2.14 -0.02 0.00 -0.22 0.00 0.00 54.13 56.02 2ofy s LEU 6 Cb 0.00 -4.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.08 2ofy s LEU 6 CO 0.00 -1.69 0.53 0.28 -1.32 0.00 0.00 176.35 174.15 2ofy s THR 7 N -2.10 5.08 0.17 3.68 -1.32 -1.26 -4.95 115.64 114.93 2ofy s THR 7 Ca 0.70 -0.17 -0.22 0.00 -1.21 0.00 0.00 61.69 60.78 2ofy s THR 7 Cb -0.24 -3.78 0.07 0.00 -1.51 0.00 0.00 72.50 67.05 2ofy s THR 7 CO 0.39 -0.38 1.60 0.00 -2.21 0.00 0.00 174.62 174.02 2ofy h ALA 8 N 1.42 -0.15 0.00 11.08 0.00 -2.00 0.74 119.26 130.35 2ofy h ALA 8 Ca -0.48 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2ofy h ALA 8 Cb 1.20 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 2ofy h ALA 8 CO 0.65 -0.71 -0.06 1.49 0.00 0.00 0.00 179.25 180.62 2ofy h GLU 9 N -0.24 0.00 -0.04 0.00 4.22 -1.99 -1.08 114.58 115.45 2ofy h GLU 9 Ca 0.18 0.00 -0.24 0.00 0.08 0.00 0.00 59.36 59.38 2ofy h GLU 9 Cb 0.53 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.80 2ofy h GLU 9 CO -0.55 0.06 -0.94 0.93 -2.18 0.00 0.00 179.01 176.33 2ofy h GLU 10 N 0.00 0.61 0.00 1.92 5.08 -1.31 -2.91 114.58 117.97 2ofy h GLU 10 Ca -0.00 -0.61 -0.05 0.00 -1.00 0.00 0.00 59.36 57.70 2ofy h GLU 10 Cb 0.18 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2ofy h GLU 10 CO 0.01 1.22 -0.23 1.37 -1.00 0.00 0.00 179.01 180.38 2ofy h LEU 11 N 0.37 0.00 -0.29 1.33 -0.00 0.04 -2.76 115.31 113.99 2ofy h LEU 11 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 2ofy h LEU 11 Cb 1.58 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.22 2ofy h LEU 11 CO 0.18 0.23 0.14 -0.08 -0.00 0.00 0.00 178.44 178.91 2ofy h GLU 12 N 0.00 0.42 -0.46 0.17 4.81 -1.32 -2.71 114.58 115.49 2ofy h GLU 12 Ca -0.00 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 2ofy h GLU 12 Cb 1.10 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2ofy h GLU 12 CO 0.03 0.41 -0.05 0.07 -0.73 0.00 0.00 179.01 178.74 2ofy h ARG 13 N 0.34 0.79 -0.33 1.92 0.11 -1.42 -0.62 114.38 115.16 2ofy h ARG 13 Ca 0.10 -0.24 0.04 0.00 0.10 0.00 0.00 59.98 59.99 2ofy h ARG 13 Cb 0.13 -0.08 -0.04 0.00 1.11 0.00 0.00 29.97 31.09 2ofy h ARG 13 CO -0.01 0.83 0.10 0.78 0.10 0.00 0.00 179.97 181.77 2ofy h GLY 14 N 0.98 0.41 0.99 0.08 0.00 -1.49 0.24 103.07 104.28 2ofy h GLY 14 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2ofy h GLY 14 CO 0.03 0.01 0.30 -1.61 0.00 0.00 0.00 176.54 175.27 2ofy h GLN 15 N 0.23 0.66 -0.23 4.80 4.15 -1.09 -0.94 115.11 122.69 2ofy h GLN 15 Ca 0.15 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2ofy h GLN 15 Cb 0.14 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2ofy h GLN 15 CO -0.18 0.47 0.15 0.00 -1.93 0.00 0.00 178.83 177.35 2ofy h ARG 16 N 0.66 0.30 -0.19 1.69 3.08 -0.70 -1.45 114.38 117.77 2ofy h ARG 16 Ca 0.18 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.26 2ofy h ARG 16 Cb -0.02 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.90 2ofy h ARG 16 CO -0.03 0.21 -0.16 1.25 -1.07 0.00 0.00 179.97 180.16 2ofy h LEU 17 N 0.30 -0.51 -0.60 3.04 5.85 -0.44 -1.74 115.31 121.20 2ofy h LEU 17 Ca 0.08 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 2ofy h LEU 17 Cb -0.03 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2ofy h LEU 17 CO -0.02 -0.20 0.13 1.23 -0.34 0.00 0.00 178.44 179.24 2ofy h GLY 18 N -0.17 1.05 1.22 3.75 0.00 -0.85 -1.54 103.07 106.53 2ofy h GLY 18 Ca 0.12 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 2ofy h GLY 18 CO -0.29 0.62 0.35 0.83 0.00 0.00 0.00 176.54 178.05 2ofy h GLU 19 N 0.88 1.01 -0.26 4.80 5.08 -1.15 -0.47 114.58 124.47 2ofy h GLU 19 Ca 0.19 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2ofy h GLU 19 Cb 0.37 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2ofy h GLU 19 CO 0.01 0.77 -0.13 1.25 -1.00 0.00 0.00 179.01 179.91 2ofy h LEU 20 N 1.00 0.57 -0.59 1.33 5.85 -0.80 -2.13 115.31 120.55 2ofy h LEU 20 Ca 0.25 -0.41 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 2ofy h LEU 20 Cb 0.09 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2ofy h LEU 20 CO -0.03 0.86 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.73 2ofy h LEU 21 N 0.28 1.00 -0.47 2.25 3.38 -1.06 -1.38 115.31 119.31 2ofy h LEU 21 Ca 0.06 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 2ofy h LEU 21 Cb 0.64 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2ofy h LEU 21 CO 0.04 1.12 0.20 -0.09 0.09 0.00 0.00 178.44 179.79 2ofy h ARG 22 N 0.88 0.70 -0.65 1.13 9.65 -1.02 -0.95 114.38 124.12 2ofy h ARG 22 Ca 0.13 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2ofy h ARG 22 Cb 0.69 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.12 2ofy h ARG 22 CO 0.05 0.62 0.42 0.77 2.80 0.00 0.00 179.97 184.63 2ofy h SER 23 N 0.62 0.75 -0.28 -3.80 0.02 -1.19 -1.77 113.55 107.91 2ofy h SER 23 Ca 0.16 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 2ofy h SER 23 Cb 0.18 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2ofy h SER 23 CO -0.01 0.56 -0.13 0.00 -1.14 0.00 0.00 176.83 176.10 2ofy h ALA 24 N 1.23 1.04 -0.77 3.77 0.00 -1.04 -2.37 119.26 121.12 2ofy h ALA 24 Ca 0.24 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2ofy h ALA 24 Cb -0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2ofy h ALA 24 CO -0.05 0.58 0.30 -0.09 0.00 0.00 0.00 179.25 179.99 2ofy h ARG 25 N 0.64 1.15 0.00 0.00 2.43 -0.71 -3.47 114.38 114.42 2ofy h ARG 25 Ca 0.11 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2ofy h ARG 25 Cb 0.59 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2ofy h ARG 25 CO 0.04 0.94 0.00 0.41 -1.51 0.00 0.00 179.97 179.85 2ofy n GLY 26 N -0.88 3.76 3.50 2.80 0.00 -0.71 -4.83 105.19 108.84 2ofy n GLY 26 Ca 0.07 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2ofy n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ofy s ASP 27 N -4.00 6.88 0.00 1.61 1.01 -1.26 -4.99 116.67 115.92 2ofy s ASP 27 Ca 0.00 -2.54 0.00 0.00 0.71 0.00 0.00 52.55 50.72 2ofy s ASP 27 Cb 0.00 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.46 2ofy s ASP 27 CO 0.00 -0.99 0.00 -1.54 0.21 0.00 0.00 175.17 172.85 2ofy n SER 29 N 6.88 0.00 0.00 0.27 3.41 -1.26 -5.20 113.62 117.72 2ofy n SER 29 Ca 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2ofy n SER 29 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2ofy n SER 29 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2ofy n VAL 31 N 0.00 0.00 -0.07 -3.33 0.31 -1.26 -1.98 118.33 112.00 2ofy n VAL 31 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2ofy n VAL 31 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2ofy n VAL 31 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2ofy h THR 32 N 0.00 1.28 -0.35 2.52 1.35 -2.01 -1.47 112.91 114.23 2ofy h THR 32 Ca 0.00 -1.67 -0.03 0.00 -0.55 0.00 0.00 66.41 64.16 2ofy h THR 32 Cb 0.00 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 2ofy h THR 32 CO 0.00 0.54 0.10 0.58 -0.25 0.00 0.00 175.52 176.49 2ofy h VAL 33 N 0.63 1.22 -0.67 6.82 2.07 -1.83 -1.40 116.25 123.09 2ofy h VAL 33 Ca 0.03 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 2ofy h VAL 33 Cb 1.06 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 2ofy h VAL 33 CO 0.10 0.24 0.18 0.00 0.02 0.00 0.00 177.57 178.12 2ofy h ALA 34 N 0.94 0.88 -0.37 1.67 0.00 -1.80 -0.11 119.26 120.46 2ofy h ALA 34 Ca 0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2ofy h ALA 34 Cb 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2ofy h ALA 34 CO -0.00 0.59 0.05 0.35 0.00 0.00 0.00 179.25 180.23 2ofy h PHE 35 N 1.00 0.67 0.00 0.00 3.57 -1.14 0.43 116.94 121.47 2ofy h PHE 35 Ca 0.21 -0.10 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 2ofy h PHE 35 Cb 0.34 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2ofy h PHE 35 CO 0.03 0.69 -0.46 -0.44 -2.23 0.00 0.00 178.31 175.90 2ofy h ASP 36 N 0.47 0.00 1.54 0.41 5.19 -0.79 -2.72 116.42 120.51 2ofy h ASP 36 Ca 0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2ofy h ASP 36 Cb 0.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 2ofy h ASP 36 CO 0.01 0.46 -0.40 0.00 -3.12 0.00 0.00 179.24 176.19 2ofy h ALA 37 N 1.54 0.80 -1.76 3.45 0.00 -0.78 -3.48 119.26 119.02 2ofy h ALA 37 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2ofy h ALA 37 Cb 0.88 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.70 2ofy h ALA 37 CO 0.06 0.00 -0.17 0.41 0.00 0.00 0.00 179.25 179.55 2ofy n GLY 38 N 1.16 0.39 3.53 0.00 0.00 0.03 -4.82 105.19 105.48 2ofy n GLY 38 Ca 0.03 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.79 1.29 0.46 -0.61 -4.36 -0.56 -5.04 121.20 109.60 2ofy s ILE 39 Ca 0.10 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.33 2ofy s ILE 39 Cb -0.04 -2.72 -0.08 0.00 1.25 0.00 0.00 42.46 40.86 2ofy s ILE 39 CO 0.12 0.00 0.91 -0.94 0.24 0.00 0.00 174.94 175.28 2ofy s SER 40 N -3.59 6.67 0.32 4.36 1.04 -1.26 -4.37 113.70 116.87 2ofy s SER 40 Ca 0.31 1.48 0.02 0.00 0.48 0.00 0.00 55.95 58.24 2ofy s SER 40 Cb 0.07 -2.46 0.60 0.00 0.10 0.00 0.00 66.02 64.33 2ofy s SER 40 CO 0.15 -0.48 1.93 0.58 0.98 0.00 0.00 173.24 176.40 2ofy h VAL 41 N 1.22 1.06 -0.56 5.02 2.07 -1.95 -1.34 116.25 121.76 2ofy h VAL 41 Ca -0.47 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 66.74 2ofy h VAL 41 Cb 1.18 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2ofy h VAL 41 CO 0.62 0.17 0.37 -0.33 0.02 0.00 0.00 177.57 178.42 2ofy h GLU 42 N 0.93 0.72 -0.17 1.57 3.07 -1.99 0.14 114.58 118.86 2ofy h GLU 42 Ca 0.36 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.16 2ofy h GLU 42 Cb 0.20 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 2ofy h GLU 42 CO -0.13 0.48 0.07 1.15 -1.40 0.00 0.00 179.01 179.18 2ofy h THR 43 N 0.74 1.16 -0.89 1.13 2.02 -1.83 -0.82 112.91 114.43 2ofy h THR 43 Ca 0.21 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 66.92 2ofy h THR 43 Cb -0.06 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 2ofy h THR 43 CO -0.06 0.16 0.58 0.25 0.37 0.00 0.00 175.52 176.82 2ofy h LEU 44 N 0.12 0.98 -0.39 2.58 5.85 -0.93 0.39 115.31 123.91 2ofy h LEU 44 Ca 0.06 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2ofy h LEU 44 Cb 0.18 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2ofy h LEU 44 CO -0.00 0.69 0.22 -0.09 -0.34 0.00 0.00 178.44 178.91 2ofy h ARG 45 N 1.15 0.54 -0.70 1.25 2.43 -0.46 -0.01 114.38 118.58 2ofy h ARG 45 Ca 0.34 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 2ofy h ARG 45 Cb -0.05 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 2ofy h ARG 45 CO -0.10 0.43 0.21 0.87 -1.51 0.00 0.00 179.97 179.86 2ofy h LYS 46 N 0.51 1.10 -0.08 0.20 1.57 -0.53 -1.52 116.57 117.82 2ofy h LYS 46 Ca 0.14 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2ofy h LYS 46 Cb 0.04 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 2ofy h LYS 46 CO -0.02 0.95 -0.01 0.82 -0.57 0.00 0.00 179.45 180.62 2ofy h ILE 47 N 1.03 1.27 -0.28 1.86 2.04 -0.55 0.26 117.51 123.14 2ofy h ILE 47 Ca 0.22 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.24 2ofy h ILE 47 Cb 0.32 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 2ofy h ILE 47 CO -0.00 0.24 0.19 -0.33 0.00 0.00 0.00 178.15 178.25 2ofy h GLU 48 N -0.17 0.26 -0.03 2.37 5.08 -0.78 -1.84 114.58 119.47 2ofy h GLU 48 Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ofy h GLU 48 Cb 0.39 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2ofy h GLU 48 CO 0.01 0.17 0.00 0.25 -1.00 0.00 0.00 179.01 178.44 2ofy n THR 49 N -4.49 0.01 -1.43 1.13 -2.24 -0.59 -3.65 114.28 103.02 2ofy n THR 49 Ca 0.02 -0.36 -0.03 0.00 -2.27 0.00 0.00 64.05 61.42 2ofy n THR 49 Cb 0.16 0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 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 1.25 0.48 0.35 3.38 0.00 -0.69 -4.93 105.19 105.02 2ofy n GLY 50 Ca 0.17 -0.88 0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.34 1.13 -3.49 1.61 5.12 0.00 -4.62 116.66 114.08 2ofy n ARG 51 Ca -0.03 -0.70 -0.38 0.00 -1.93 0.00 0.00 57.85 54.80 2ofy n ARG 51 Cb 0.25 -1.49 -0.10 0.00 -1.16 0.00 0.00 32.46 29.97 2ofy n ARG 51 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2ofy s ILE 52 N -2.35 5.24 0.17 0.55 2.07 -1.24 -4.97 121.20 120.67 2ofy s ILE 52 Ca 0.28 0.41 -0.14 0.00 -1.41 0.00 0.00 60.65 59.78 2ofy s ILE 52 Cb 0.20 -3.62 0.06 0.00 0.13 0.00 0.00 42.46 39.22 2ofy s ILE 52 CO 0.47 0.22 1.78 0.00 -1.91 0.00 0.00 174.94 175.49 2ofy h ALA 53 N 8.07 0.58 -2.59 1.50 0.00 -1.98 -3.38 119.26 121.48 2ofy h ALA 53 Ca -0.34 0.03 -0.59 0.00 0.00 0.00 0.00 54.91 54.01 2ofy h ALA 53 Cb 1.17 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 18.53 2ofy h ALA 53 CO 0.62 -0.14 -0.87 0.95 0.00 0.00 0.00 179.25 179.82 2ofy s THR 54 N -6.14 0.48 0.54 0.00 -4.23 -1.26 -4.93 115.64 100.11 2ofy s THR 54 Ca -0.13 -2.23 -0.21 0.00 -1.18 0.00 0.00 61.69 57.93 2ofy s THR 54 Cb 0.13 -1.35 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 2ofy s THR 54 CO 0.73 -1.06 1.29 -2.16 -0.54 0.00 0.00 174.62 172.88 2ofy s PRO 55 N 0.54 3.19 0.28 3.99 0.04 -1.26 -4.94 135.00 136.85 2ofy s PRO 55 Ca 0.23 2.07 -0.29 0.00 0.04 0.00 0.00 61.00 63.05 2ofy s PRO 55 Cb -0.14 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 2ofy s PRO 55 CO -0.07 -1.09 1.04 0.00 0.04 0.00 0.00 177.00 176.92 2ofy s ALA 56 N -1.40 3.35 0.17 8.56 0.00 -1.26 -4.96 121.76 126.23 2ofy s ALA 56 Ca 0.72 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 53.29 2ofy s ALA 56 Cb -0.36 -3.28 0.11 0.00 0.00 0.00 0.00 23.12 19.59 2ofy s ALA 56 CO 0.42 -0.04 1.66 0.35 0.00 0.00 0.00 175.76 178.16 2ofy h PHE 57 N 3.78 -0.25 0.00 0.00 3.57 -2.00 -1.96 116.94 120.08 2ofy h PHE 57 Ca -0.46 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.04 2ofy h PHE 57 Cb 1.21 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 2ofy h PHE 57 CO 0.59 -0.19 -0.18 0.74 -2.23 0.00 0.00 178.31 177.04 2ofy h PHE 58 N -0.01 0.00 0.05 0.41 0.04 -1.98 0.45 116.94 115.90 2ofy h PHE 58 Ca 0.20 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.97 2ofy h PHE 58 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 2ofy h PHE 58 CO -0.38 0.18 -0.02 1.15 -0.60 0.00 0.00 178.31 178.64 2ofy h THR 59 N 0.00 1.26 -0.62 -1.55 2.02 -1.81 -1.44 112.91 110.77 2ofy h THR 59 Ca -0.00 -1.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.05 2ofy h THR 59 Cb 0.67 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 69.01 2ofy h THR 59 CO 0.02 0.27 0.18 0.40 0.37 0.00 0.00 175.52 176.76 2ofy h ILE 60 N -0.54 1.25 -0.62 3.11 1.08 -1.10 -2.07 117.51 118.62 2ofy h ILE 60 Ca -0.01 -0.87 0.06 0.00 -0.39 0.00 0.00 64.86 63.65 2ofy h ILE 60 Cb 0.49 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 34.81 2ofy h ILE 60 CO 0.01 0.33 0.32 0.00 -0.69 0.00 0.00 178.15 178.12 2ofy h ALA 61 N 1.06 0.81 -0.26 1.87 0.00 -0.94 0.17 119.26 121.98 2ofy h ALA 61 Ca 0.20 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2ofy h ALA 61 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2ofy h ALA 61 CO -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 179.25 179.22 2ofy h ALA 62 N 1.33 0.35 -0.32 0.00 0.00 -0.96 -0.37 119.26 119.29 2ofy h ALA 62 Ca 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2ofy h ALA 62 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ofy h ALA 62 CO -0.19 0.09 0.12 0.28 0.00 0.00 0.00 179.25 179.55 2ofy h VAL 63 N 0.23 1.19 -0.63 0.00 2.07 -1.10 -2.28 116.25 115.73 2ofy h VAL 63 Ca 0.07 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 67.09 2ofy h VAL 63 Cb 0.43 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 2ofy h VAL 63 CO 0.01 0.20 0.30 0.00 0.02 0.00 0.00 177.57 178.10 2ofy h ALA 64 N 0.97 0.83 -0.14 1.67 0.00 -0.54 -0.17 119.26 121.87 2ofy h ALA 64 Ca 0.11 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2ofy h ALA 64 Cb 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2ofy h ALA 64 CO -0.01 -0.09 -0.08 -0.09 0.00 0.00 0.00 179.25 178.99 2ofy h ARG 65 N 0.53 -0.07 -0.58 0.00 2.43 -0.66 -0.65 114.38 115.38 2ofy h ARG 65 Ca 0.30 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 2ofy h ARG 65 Cb 0.29 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 2ofy h ARG 65 CO -0.24 -0.05 0.24 0.28 -1.51 0.00 0.00 179.97 178.69 2ofy h VAL 66 N -0.07 1.21 -0.21 0.20 2.07 -0.88 -2.87 116.25 115.70 2ofy h VAL 66 Ca 0.08 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2ofy h VAL 66 Cb 0.19 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2ofy h VAL 66 CO -0.19 0.26 0.00 0.18 0.02 0.00 0.00 177.57 177.84 2ofy n LEU 67 N -4.33 2.17 -3.05 2.57 4.77 -0.13 -4.94 117.00 114.06 2ofy n LEU 67 Ca 0.05 -0.90 -0.16 0.00 -0.03 0.00 0.00 56.01 54.96 2ofy n LEU 67 Cb 0.16 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 2ofy n LEU 67 CO 0.39 0.45 0.14 -0.67 -1.33 0.00 0.00 177.39 176.36 2ofy n ASP 68 N 0.66 -3.46 -4.51 -1.43 2.03 -0.36 -4.95 116.55 104.53 2ofy n ASP 68 Ca 0.17 -0.49 -0.31 0.00 0.52 0.00 0.00 54.79 54.68 2ofy n ASP 68 Cb 0.41 -4.33 -0.12 0.00 -0.72 0.00 0.00 41.12 36.36 2ofy n ASP 68 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2ofy s LEU 69 N -5.89 2.81 -0.08 -2.67 1.43 -0.55 -5.06 118.68 108.68 2ofy s LEU 69 Ca 0.19 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 2ofy s LEU 69 Cb -0.08 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 2ofy s LEU 69 CO 0.61 0.25 1.12 -0.55 0.23 0.00 0.00 176.35 178.01 2ofy s SER 70 N -1.54 7.13 0.41 2.29 0.15 -1.26 -4.56 113.70 116.32 2ofy s SER 70 Ca 0.16 1.70 0.08 0.00 0.70 0.00 0.00 55.95 58.59 2ofy s SER 70 Cb -0.11 -2.56 0.87 0.00 -1.71 0.00 0.00 66.02 62.51 2ofy s SER 70 CO 0.07 -0.53 2.04 -0.07 1.20 0.00 0.00 173.24 175.95 2ofy h LEU 71 N 8.12 0.40 -0.73 3.45 3.38 -1.97 -1.19 115.31 126.77 2ofy h LEU 71 Ca -0.33 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 2ofy h LEU 71 Cb 1.15 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 2ofy h LEU 71 CO 0.87 0.33 0.24 0.44 0.09 0.00 0.00 178.44 180.42 2ofy h ASP 72 N 0.46 1.06 -0.17 -0.43 3.32 -2.00 0.21 116.42 118.87 2ofy h ASP 72 Ca 0.12 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 2ofy h ASP 72 Cb 0.03 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2ofy h ASP 72 CO -0.02 0.97 0.07 0.44 -1.72 0.00 0.00 179.24 178.99 2ofy h ASP 73 N 1.08 0.22 -0.34 6.45 3.32 -1.75 -2.18 116.42 123.22 2ofy h ASP 73 Ca 0.24 -0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.22 2ofy h ASP 73 Cb 0.28 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.70 2ofy h ASP 73 CO -0.01 0.30 -0.17 0.58 -1.72 0.00 0.00 179.24 178.22 2ofy h VAL 74 N 0.13 0.49 -0.89 -1.35 2.07 -0.97 -2.70 116.25 113.03 2ofy h VAL 74 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 2ofy h VAL 74 Cb 0.14 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 2ofy h VAL 74 CO -0.01 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.16 2ofy h ALA 75 N 1.13 1.17 -0.22 1.67 0.00 -0.75 -1.37 119.26 120.89 2ofy h ALA 75 Ca 0.17 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2ofy h ALA 75 Cb 0.38 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2ofy h ALA 75 CO -0.41 0.44 -0.09 0.00 0.00 0.00 0.00 179.25 179.18 2ofy h ALA 76 N 1.37 1.44 0.00 0.00 0.00 -1.13 -2.20 119.26 118.73 2ofy h ALA 76 Ca 0.35 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2ofy h ALA 76 Cb -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2ofy h ALA 76 CO -0.12 0.39 -1.57 1.33 0.00 0.00 0.00 179.25 179.29 2ofy n VAL 77 N -4.27 0.06 -0.12 0.00 0.24 -0.80 -2.41 118.33 111.03 2ofy n VAL 77 Ca 0.00 -0.34 -0.10 0.00 -2.04 0.00 0.00 64.34 61.86 2ofy n VAL 77 Cb 0.27 0.26 -0.02 0.00 -1.47 0.00 0.00 33.84 32.87 2ofy n VAL 77 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 2ofy h VAL 78 N 0.00 1.23 0.00 3.34 -1.51 -1.17 0.44 116.25 118.58 2ofy h VAL 78 Ca 0.00 -0.78 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 2ofy h VAL 78 Cb 0.84 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 2ofy h VAL 78 CO 0.00 0.27 -0.29 0.71 -1.23 0.00 0.00 177.57 177.02 2ofy h THR 79 N 0.43 0.00 0.00 7.19 1.35 -1.48 -3.37 112.91 117.03 2ofy h THR 79 Ca 0.11 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2ofy h THR 79 Cb 0.32 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2ofy h THR 79 CO 0.00 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.76 2ofy n PHE 80 N -2.78 0.00 0.00 4.73 3.72 -1.01 -5.07 117.46 117.04 2ofy n PHE 80 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2ofy n PHE 80 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2ofy n PHE 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ofy n GLY 81 N 0.63 -0.85 3.80 1.37 0.00 0.14 -4.98 105.19 105.31 2ofy n GLY 81 Ca 0.00 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 2ofy n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ofy s PRO 82 N -2.46 0.60 0.54 1.61 0.04 -1.26 -4.51 135.00 129.56 2ofy s PRO 82 Ca 0.00 -0.00 -0.16 0.00 0.04 0.00 0.00 61.00 60.88 2ofy s PRO 82 Cb 0.00 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 2ofy s PRO 82 CO 0.00 -2.51 1.01 0.14 0.04 0.00 0.00 177.00 175.68 2ofy s VAL 83 N -3.43 4.34 0.00 -0.36 -7.23 -1.26 -5.12 120.40 107.34 2ofy s VAL 83 Ca 0.68 1.10 0.00 0.00 -1.81 0.00 0.00 61.98 61.95 2ofy s VAL 83 Cb -0.10 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.20 2ofy s VAL 83 CO 0.53 -0.67 0.40 -0.24 -0.31 0.00 0.00 175.10 174.81