#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fae s THR 2 N 0.00 3.37 0.20 6.66 -4.23 -1.26 -5.00 115.64 115.39 2fae s THR 2 Ca 0.00 -1.22 -0.10 0.00 -1.18 0.00 0.00 61.69 59.19 2fae s THR 2 Cb 0.00 -3.16 0.14 0.00 1.34 0.00 0.00 72.50 70.82 2fae s THR 2 CO 0.00 -0.10 1.82 0.40 -0.54 0.00 0.00 174.62 176.19 2fae h ILE 3 N 1.03 1.22 -0.55 2.99 1.08 -2.01 -1.35 117.51 119.93 2fae h ILE 3 Ca -0.43 -0.57 0.08 0.00 -0.39 0.00 0.00 64.86 63.55 2fae h ILE 3 Cb 1.26 0.26 -0.07 0.00 -3.07 0.00 0.00 36.82 35.20 2fae h ILE 3 CO 0.55 0.25 0.18 -0.08 -0.69 0.00 0.00 178.15 178.36 2fae h GLU 4 N 1.01 0.34 -0.60 2.37 4.81 -1.97 0.23 114.58 120.78 2fae h GLU 4 Ca 0.26 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 2fae h GLU 4 Cb 0.04 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2fae h GLU 4 CO -0.04 0.23 0.05 0.93 -0.73 0.00 0.00 179.01 179.45 2fae h GLU 5 N 0.35 1.02 -0.28 1.92 5.08 -1.80 -1.24 114.58 119.65 2fae h GLU 5 Ca 0.27 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2fae h GLU 5 Cb 0.32 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2fae h GLU 5 CO -0.29 0.98 -0.23 0.00 -1.00 0.00 0.00 179.01 178.48 2fae h ARG 6 N 0.92 0.64 -0.25 2.33 3.08 -0.62 -2.12 114.38 118.38 2fae h ARG 6 Ca 0.18 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 2fae h ARG 6 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 2fae h ARG 6 CO 0.02 0.92 0.07 0.28 -1.07 0.00 0.00 179.97 180.19 2fae h VAL 7 N 0.38 1.20 -0.50 2.04 2.07 -0.54 -2.70 116.25 118.20 2fae h VAL 7 Ca 0.05 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2fae h VAL 7 Cb 0.78 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2fae h VAL 7 CO 0.06 0.21 0.25 0.11 0.02 0.00 0.00 177.57 178.22 2fae h LYS 8 N 0.22 0.69 -0.24 1.57 1.57 -1.22 -1.79 116.57 117.37 2fae h LYS 8 Ca 0.08 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2fae h LYS 8 Cb 0.26 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2fae h LYS 8 CO -0.00 0.53 0.09 -0.22 -0.57 0.00 0.00 179.45 179.28 2fae h LYS 9 N 0.69 0.36 -0.76 3.15 3.64 -1.25 -1.75 116.57 120.65 2fae h LYS 9 Ca 0.18 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2fae h LYS 9 Cb 0.06 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2fae h LYS 9 CO -0.03 0.41 0.29 0.82 -2.27 0.00 0.00 179.45 178.68 2fae h ILE 10 N 0.24 1.26 -0.61 2.00 2.04 -1.15 -1.40 117.51 119.88 2fae h ILE 10 Ca 0.08 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 2fae h ILE 10 Cb 0.19 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2fae h ILE 10 CO -0.01 0.34 0.31 0.40 0.00 0.00 0.00 178.15 179.19 2fae h ILE 11 N 1.12 1.21 -0.50 -0.67 2.04 -1.18 0.03 117.51 119.55 2fae h ILE 11 Ca 0.25 -0.56 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 2fae h ILE 11 Cb 0.23 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2fae h ILE 11 CO -0.02 0.23 -0.10 1.23 0.00 0.00 0.00 178.15 179.50 2fae h GLY 12 N 0.83 1.03 0.79 5.37 0.00 -1.07 -0.84 103.07 109.17 2fae h GLY 12 Ca 0.21 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 2fae h GLY 12 CO -0.03 0.76 -0.07 -2.09 0.00 0.00 0.00 176.54 175.11 2fae h GLU 13 N 0.81 -0.18 -0.18 4.80 4.57 -1.12 -0.81 114.58 122.47 2fae h GLU 13 Ca 0.13 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2fae h GLU 13 Cb 0.65 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 2fae h GLU 13 CO 0.04 0.05 0.11 1.96 -1.18 0.00 0.00 179.01 180.00 2fae h GLN 14 N -0.41 0.22 -0.01 1.92 1.08 -0.92 -3.07 115.11 113.92 2fae h GLN 14 Ca -0.02 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2fae h GLN 14 Cb 0.32 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2fae h GLN 14 CO 0.03 0.15 -0.13 1.28 -0.95 0.00 0.00 178.83 179.21 2fae n LEU 15 N -4.97 0.77 -1.70 1.46 4.77 -0.33 -4.94 117.00 112.05 2fae n LEU 15 Ca -0.04 -0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 55.66 2fae n LEU 15 Cb 0.03 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.01 2fae n LEU 15 CO 0.33 0.14 -0.08 0.61 -1.33 0.00 0.00 177.39 177.06 2fae n GLY 16 N 1.26 -0.10 3.53 -0.72 0.00 -0.39 -5.02 105.19 103.75 2fae n GLY 16 Ca 0.15 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2fae n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fae s VAL 17 N -2.79 3.15 0.38 1.61 -7.23 -0.73 -5.05 120.40 109.74 2fae s VAL 17 Ca 0.10 -1.17 -0.26 0.00 -1.81 0.00 0.00 61.98 58.84 2fae s VAL 17 Cb -0.04 -2.40 -0.09 0.00 0.56 0.00 0.00 36.38 34.41 2fae s VAL 17 CO 0.12 0.25 1.15 -1.59 -0.31 0.00 0.00 175.10 174.72 2fae s LYS 18 N -1.76 4.18 0.27 4.82 -2.85 -1.26 -4.54 119.74 118.60 2fae s LYS 18 Ca 0.18 1.82 -0.03 0.00 -1.00 0.00 0.00 55.97 56.93 2fae s LYS 18 Cb -0.11 -2.77 0.56 0.00 -2.06 0.00 0.00 37.83 33.45 2fae s LYS 18 CO 0.09 -0.20 1.62 1.96 0.10 0.00 0.00 175.35 178.92 2fae h GLN 19 N 2.86 0.11 0.00 1.78 1.08 -1.94 -0.66 115.11 118.34 2fae h GLN 19 Ca -0.48 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 2fae h GLN 19 Cb 1.23 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 2fae h GLN 19 CO 0.63 0.07 0.00 1.05 -0.95 0.00 0.00 178.83 179.63 2fae h GLU 20 N 0.11 0.00 0.00 1.46 9.09 -2.01 -1.22 114.58 122.01 2fae h GLU 20 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 2fae h GLU 20 Cb 0.91 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.01 2fae h GLU 20 CO -0.72 0.00 -0.98 -1.91 0.05 0.00 0.00 179.01 175.45 2fae n GLU 21 N -2.46 0.55 -2.00 1.06 2.13 -0.26 -4.58 120.64 115.07 2fae n GLU 21 Ca -0.02 0.10 -0.42 0.00 0.66 0.00 0.00 57.16 57.49 2fae n GLU 21 Cb 0.06 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 29.98 2fae n GLU 21 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2fae n VAL 22 N -2.55 4.04 -1.84 6.31 0.31 -0.46 -4.94 118.33 119.20 2fae n VAL 22 Ca 0.00 -3.72 -0.29 0.00 -0.01 0.00 0.00 64.34 60.32 2fae n VAL 22 Cb 0.53 -2.46 0.09 0.00 -0.91 0.00 0.00 33.84 31.09 2fae n VAL 22 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2fae s THR 23 N 1.53 2.29 0.21 2.52 -4.23 -1.26 -4.99 115.64 111.71 2fae s THR 23 Ca 0.45 0.09 0.02 0.00 -1.18 0.00 0.00 61.69 61.07 2fae s THR 23 Cb 0.13 -3.05 -0.07 0.00 1.34 0.00 0.00 72.50 70.85 2fae s THR 23 CO -0.04 -0.12 1.51 0.78 -0.54 0.00 0.00 174.62 176.20 2fae h ASN 24 N -1.05 0.38 1.61 3.99 4.21 -1.96 -3.13 115.58 119.64 2fae h ASN 24 Ca -0.46 -0.23 0.00 0.00 1.21 0.00 0.00 56.30 56.82 2fae h ASN 24 Cb 1.32 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 2fae h ASN 24 CO 0.65 0.92 0.00 0.78 -1.29 0.00 0.00 177.43 178.49 2fae h ASN 25 N 0.24 0.00 -2.63 5.81 2.35 -1.97 -1.74 115.58 117.64 2fae h ASN 25 Ca -0.01 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.18 2fae h ASN 25 Cb 1.18 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.61 2fae h ASN 25 CO 0.11 0.00 0.82 0.00 -1.65 0.00 0.00 177.43 176.70 2fae n ALA 26 N -1.94 1.85 -2.00 -0.83 0.00 -1.18 -4.73 120.51 111.68 2fae n ALA 26 Ca 0.04 0.42 -0.39 0.00 0.00 0.00 0.00 53.44 53.50 2fae n ALA 26 Cb 0.45 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.45 2fae n ALA 26 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2fae s SER 27 N 0.75 7.37 0.17 0.00 1.04 -1.26 -1.81 113.70 119.95 2fae s SER 27 Ca 0.73 1.62 -0.15 0.00 0.48 0.00 0.00 55.95 58.63 2fae s SER 27 Cb -0.60 -2.49 0.06 0.00 0.10 0.00 0.00 66.02 63.09 2fae s SER 27 CO 0.41 0.22 1.83 -0.26 0.98 0.00 0.00 173.24 176.41 2fae h PHE 28 N 4.34 0.60 0.00 5.02 -1.00 -1.38 -1.64 116.94 122.87 2fae h PHE 28 Ca -0.47 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.32 2fae h PHE 28 Cb 1.21 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.57 2fae h PHE 28 CO 0.64 0.37 0.00 0.28 -1.61 0.00 0.00 178.31 177.99 2fae n VAL 29 N -4.76 0.00 0.10 -0.55 0.31 -1.26 -1.34 118.33 110.83 2fae n VAL 29 Ca 0.02 0.55 -0.12 0.00 -0.01 0.00 0.00 64.34 64.78 2fae n VAL 29 Cb 0.03 -1.48 -0.06 0.00 -0.91 0.00 0.00 33.84 31.43 2fae n VAL 29 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2fae h GLU 30 N 0.00 -0.31 0.25 5.55 4.81 -1.92 0.54 114.58 123.50 2fae h GLU 30 Ca 0.00 0.02 -0.34 0.00 -0.13 0.00 0.00 59.36 58.92 2fae h GLU 30 Cb 0.00 0.07 0.04 0.00 0.63 0.00 0.00 28.75 29.48 2fae h GLU 30 CO 0.00 -0.20 -1.48 -0.44 -0.73 0.00 0.00 179.01 176.15 2fae h ASP 31 N -0.32 0.81 -0.01 1.04 3.32 -1.72 -3.36 116.42 116.19 2fae h ASP 31 Ca 0.02 -0.88 0.00 0.00 0.02 0.00 0.00 57.03 56.18 2fae h ASP 31 Cb 0.32 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2fae h ASP 31 CO -0.07 1.69 -0.29 0.18 -1.72 0.00 0.00 179.24 179.03 2fae n LEU 32 N -3.70 2.30 -1.36 1.55 4.77 -0.64 -4.96 117.00 114.96 2fae n LEU 32 Ca -0.17 -0.81 -0.13 0.00 -0.03 0.00 0.00 56.01 54.88 2fae n LEU 32 Cb 1.10 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 42.17 2fae n LEU 32 CO 0.60 0.41 -0.16 0.61 -1.33 0.00 0.00 177.39 177.52 2fae n GLY 33 N 1.39 0.17 3.72 -0.72 0.00 0.18 -4.95 105.19 104.98 2fae n GLY 33 Ca 0.11 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2fae n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fae s ALA 34 N -2.60 3.73 0.53 4.61 0.00 -0.45 -4.97 121.76 122.60 2fae s ALA 34 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2fae s ALA 34 Cb 0.00 -3.60 0.07 0.00 0.00 0.00 0.00 23.12 19.59 2fae s ALA 34 CO 0.00 -0.76 0.50 -0.40 0.00 0.00 0.00 175.76 175.10 2fae n ASP 35 N 3.60 0.73 -0.09 0.00 5.68 -1.26 -4.64 116.55 120.57 2fae n ASP 35 Ca 0.12 -1.60 -0.06 0.00 -0.50 0.00 0.00 54.79 52.75 2fae n ASP 35 Cb 0.39 -0.32 -0.00 0.00 -1.14 0.00 0.00 41.12 40.06 2fae n ASP 35 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2fae h SER 36 N -0.26 -0.25 -0.38 -1.12 0.02 -2.01 -2.04 113.55 107.50 2fae h SER 36 Ca -0.16 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 2fae h SER 36 Cb 0.62 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 2fae h SER 36 CO 0.18 -0.09 -0.03 0.25 -1.14 0.00 0.00 176.83 176.01 2fae h LEU 37 N 0.02 0.76 -1.12 5.07 5.85 -2.01 -2.85 115.31 121.03 2fae h LEU 37 Ca 0.15 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2fae h LEU 37 Cb 0.23 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 2fae h LEU 37 CO -0.31 0.84 0.60 0.44 -0.34 0.00 0.00 178.44 179.67 2fae h ASP 38 N 0.73 1.00 0.01 1.25 3.32 -1.78 -1.74 116.42 119.21 2fae h ASP 38 Ca 0.14 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.20 2fae h ASP 38 Cb 0.48 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 2fae h ASP 38 CO 0.02 0.69 -0.29 0.71 -1.72 0.00 0.00 179.24 178.65 2fae h THR 39 N 1.16 0.35 0.21 0.35 1.35 -1.14 0.61 112.91 115.80 2fae h THR 39 Ca 0.36 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.21 2fae h THR 39 Cb -0.02 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 66.76 2fae h THR 39 CO -0.10 0.00 -0.11 0.58 -0.25 0.00 0.00 175.52 175.64 2fae h VAL 40 N -0.45 0.77 -0.12 6.82 2.07 -1.49 -2.15 116.25 121.70 2fae h VAL 40 Ca 0.06 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 2fae h VAL 40 Cb 0.53 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2fae h VAL 40 CO -0.24 0.00 -0.27 -0.33 0.02 0.00 0.00 177.57 176.75 2fae h GLU 41 N -0.30 0.21 -0.24 1.57 5.08 -1.25 -2.14 114.58 117.51 2fae h GLU 41 Ca -0.03 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 2fae h GLU 41 Cb 0.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2fae h GLU 41 CO 0.04 0.47 -0.52 1.25 -1.00 0.00 0.00 179.01 179.25 2fae h LEU 42 N 0.19 0.88 -0.17 1.33 5.85 -0.78 -2.00 115.31 120.61 2fae h LEU 42 Ca 0.03 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2fae h LEU 42 Cb 0.58 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2fae h LEU 42 CO 0.04 1.26 0.10 0.58 -0.34 0.00 0.00 178.44 180.09 2fae h VAL 43 N 0.52 1.03 -0.12 1.05 2.07 -1.20 -2.54 116.25 117.06 2fae h VAL 43 Ca 0.00 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 2fae h VAL 43 Cb 1.13 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2fae h VAL 43 CO 0.11 0.04 -0.22 0.24 0.02 0.00 0.00 177.57 177.76 2fae h MET 44 N 0.21 0.20 -0.29 1.57 2.86 -1.38 -1.29 114.93 116.81 2fae h MET 44 Ca 0.06 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 2fae h MET 44 Cb -0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2fae h MET 44 CO -0.03 0.42 -0.25 0.00 1.06 0.00 0.00 176.91 178.11 2fae h ALA 45 N 1.59 1.01 0.11 6.32 0.00 -1.06 -1.87 119.26 125.36 2fae h ALA 45 Ca 0.03 -0.36 -0.27 0.00 0.00 0.00 0.00 54.91 54.31 2fae h ALA 45 Cb 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2fae h ALA 45 CO 0.03 0.59 -1.22 -0.07 0.00 0.00 0.00 179.25 178.59 2fae h LEU 46 N 0.51 0.38 -1.14 0.00 3.38 -1.23 -2.45 115.31 114.76 2fae h LEU 46 Ca 0.07 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.64 2fae h LEU 46 Cb 0.71 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2fae h LEU 46 CO 0.05 1.32 0.56 -0.33 0.09 0.00 0.00 178.44 180.13 2fae h GLU 47 N 0.07 1.13 -0.15 1.13 5.08 -1.09 -1.62 114.58 119.14 2fae h GLU 47 Ca -0.12 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.02 2fae h GLU 47 Cb 1.95 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.95 2fae h GLU 47 CO 0.20 0.76 -0.49 1.49 -1.00 0.00 0.00 179.01 179.97 2fae h GLU 48 N 1.16 0.59 -0.61 2.33 4.81 -1.33 -0.44 114.58 121.10 2fae h GLU 48 Ca 0.31 -0.44 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 2fae h GLU 48 Cb -0.12 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2fae h GLU 48 CO -0.07 1.06 0.22 1.49 -0.73 0.00 0.00 179.01 180.98 2fae h GLU 49 N 0.23 0.93 -0.62 1.92 4.57 -1.25 -2.95 114.58 117.41 2fae h GLU 49 Ca -0.02 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 2fae h GLU 49 Cb 1.11 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2fae h GLU 49 CO 0.10 0.81 0.00 1.19 -1.18 0.00 0.00 179.01 179.94 2fae n PHE 50 N -4.42 1.55 -4.00 0.92 3.01 -0.62 -4.97 117.46 108.92 2fae n PHE 50 Ca 0.04 -0.64 -0.36 0.00 1.01 0.00 0.00 57.45 57.50 2fae n PHE 50 Cb 0.19 -0.29 -0.01 0.00 -0.01 0.00 0.00 39.48 39.37 2fae n PHE 50 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2fae n ASP 51 N 0.96 -2.61 -4.08 4.37 2.03 -0.32 -4.66 116.55 112.23 2fae n ASP 51 Ca 0.26 -1.17 -0.12 0.00 0.52 0.00 0.00 54.79 54.28 2fae n ASP 51 Cb 0.94 -2.36 -0.09 0.00 -0.72 0.00 0.00 41.12 38.89 2fae n ASP 51 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2fae s THR 52 N -3.77 0.00 -0.08 5.18 -1.32 -0.33 -4.84 115.64 110.48 2fae s THR 52 Ca 0.29 -1.85 -0.01 0.00 -1.21 0.00 0.00 61.69 58.91 2fae s THR 52 Cb -0.14 -2.44 0.03 0.00 -1.51 0.00 0.00 72.50 68.44 2fae s THR 52 CO 0.93 0.00 -0.02 -1.61 -2.21 0.00 0.00 174.62 171.71 2fae s GLU 53 N -4.06 0.85 -0.11 7.08 0.41 -1.26 -4.58 118.70 117.03 2fae s GLU 53 Ca 0.35 0.00 -0.04 0.00 -0.41 0.00 0.00 54.97 54.87 2fae s GLU 53 Cb 0.05 -1.11 -0.04 0.00 -1.78 0.00 0.00 34.13 31.26 2fae s GLU 53 CO 0.12 -0.27 0.05 -1.50 -0.49 0.00 0.00 175.26 173.17 2fae s ILE 54 N 1.81 4.69 0.23 -1.63 2.07 -1.26 -5.08 121.20 122.03 2fae s ILE 54 Ca 0.03 -0.10 -0.31 0.00 -1.41 0.00 0.00 60.65 58.87 2fae s ILE 54 Cb -0.13 -3.02 -0.11 0.00 0.13 0.00 0.00 42.46 39.34 2fae s ILE 54 CO -0.05 0.59 1.55 -2.84 -1.91 0.00 0.00 174.94 172.27 2fae s PRO 55 N -0.72 4.20 0.30 3.50 0.02 -1.26 -4.83 135.00 136.22 2fae s PRO 55 Ca 0.12 2.42 0.06 0.00 0.02 0.00 0.00 61.00 63.62 2fae s PRO 55 Cb -0.12 -3.10 0.75 0.00 0.02 0.00 0.00 34.50 32.06 2fae s PRO 55 CO 0.02 -0.57 1.77 -0.44 -0.33 0.00 0.00 177.00 177.45 2fae h ASP 56 N 5.75 0.75 0.79 2.53 3.32 -1.98 0.19 116.42 127.77 2fae h ASP 56 Ca -0.45 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 2fae h ASP 56 Cb 1.21 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 2fae h ASP 56 CO 0.84 0.24 -0.13 1.05 -1.72 0.00 0.00 179.24 179.53 2fae h GLU 57 N 0.72 0.00 0.05 3.56 4.11 -2.00 -1.21 114.58 119.82 2fae h GLU 57 Ca 0.59 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.72 2fae h GLU 57 Cb 0.94 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 2fae h GLU 57 CO -0.40 0.13 -1.62 0.93 0.07 0.00 0.00 179.01 178.12 2fae h GLU 58 N 0.00 0.10 -0.60 1.06 5.08 -1.09 -3.35 114.58 115.78 2fae h GLU 58 Ca -0.00 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 2fae h GLU 58 Cb 0.56 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2fae h GLU 58 CO 0.02 0.82 0.07 0.00 -1.00 0.00 0.00 179.01 178.92 2fae h ALA 59 N 0.73 0.99 -0.01 3.43 0.00 -0.54 -2.55 119.26 121.31 2fae h ALA 59 Ca -0.26 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2fae h ALA 59 Cb 1.99 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 2fae h ALA 59 CO 0.11 0.63 0.06 1.49 0.00 0.00 0.00 179.25 181.54 2fae h GLU 60 N 0.93 0.00 -0.17 0.00 4.81 -1.36 -2.02 114.58 116.77 2fae h GLU 60 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2fae h GLU 60 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2fae h GLU 60 CO 0.02 0.00 0.00 1.17 -0.73 0.00 0.00 179.01 179.47 2fae n LYS 61 N -3.16 2.16 -2.98 1.92 4.81 -0.96 -4.78 118.16 115.15 2fae n LYS 61 Ca -0.03 -1.95 -0.44 0.00 -0.87 0.00 0.00 58.31 55.02 2fae n LYS 61 Cb 0.13 -1.44 -0.03 0.00 0.02 0.00 0.00 35.03 33.71 2fae n LYS 61 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2fae s ILE 62 N -1.62 4.78 -0.24 3.15 -1.09 -0.76 -4.90 121.20 120.51 2fae s ILE 62 Ca 0.29 -1.41 0.21 0.00 -2.23 0.00 0.00 60.65 57.51 2fae s ILE 62 Cb 0.19 -4.69 0.04 0.00 -1.58 0.00 0.00 42.46 36.42 2fae s ILE 62 CO 0.28 -1.40 1.14 0.71 -1.23 0.00 0.00 174.94 174.44 2fae h THR 63 N 5.75 0.19 -2.41 2.92 1.35 -1.86 -3.47 112.91 115.38 2fae h THR 63 Ca 0.02 -1.32 -0.54 0.00 -0.55 0.00 0.00 66.41 64.02 2fae h THR 63 Cb 1.04 1.79 -0.14 0.00 -1.73 0.00 0.00 68.15 69.11 2fae h THR 63 CO 1.08 0.11 -0.68 0.42 -0.25 0.00 0.00 175.52 176.20 2fae s THR 64 N -3.21 1.85 0.15 6.82 -4.23 -1.26 -0.94 115.64 114.83 2fae s THR 64 Ca 0.01 -2.16 -0.17 0.00 -1.18 0.00 0.00 61.69 58.19 2fae s THR 64 Cb 0.08 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.44 2fae s THR 64 CO 0.77 -0.27 1.73 0.58 -0.54 0.00 0.00 174.62 176.88 2fae h VAL 65 N 2.20 0.82 -0.52 2.29 2.07 -1.44 -2.35 116.25 119.32 2fae h VAL 65 Ca -0.41 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2fae h VAL 65 Cb 1.24 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 2fae h VAL 65 CO 0.68 0.03 0.27 -0.61 0.02 0.00 0.00 177.57 177.96 2fae h GLN 66 N 0.17 0.71 -0.31 1.57 5.75 -1.60 -1.09 115.11 120.32 2fae h GLN 66 Ca 0.16 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.53 2fae h GLN 66 Cb 0.18 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 2fae h GLN 66 CO -0.22 0.54 -0.05 0.00 -2.65 0.00 0.00 178.83 176.45 2fae h ALA 67 N 1.58 1.33 -0.24 3.38 0.00 -1.72 0.91 119.26 124.50 2fae h ALA 67 Ca 0.18 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2fae h ALA 67 Cb 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2fae h ALA 67 CO -0.03 0.45 -0.23 0.00 0.00 0.00 0.00 179.25 179.44 2fae h ALA 68 N 1.48 0.35 -0.19 0.00 0.00 -0.90 -1.88 119.26 118.13 2fae h ALA 68 Ca 0.10 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2fae h ALA 68 Cb 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2fae h ALA 68 CO 0.02 0.31 0.11 0.82 0.00 0.00 0.00 179.25 180.51 2fae h ILE 69 N 0.29 1.09 -0.83 0.00 2.04 -0.96 -2.13 117.51 117.00 2fae h ILE 69 Ca 0.04 -0.22 0.10 0.00 1.00 0.00 0.00 64.86 65.78 2fae h ILE 69 Cb 0.78 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 37.68 2fae h ILE 69 CO 0.06 0.08 0.47 0.44 0.00 0.00 0.00 178.15 179.20 2fae h ASP 70 N 0.22 0.67 -0.34 1.72 3.32 -0.78 -0.21 116.42 121.01 2fae h ASP 70 Ca 0.07 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 2fae h ASP 70 Cb 0.04 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2fae h ASP 70 CO -0.01 0.37 0.03 0.22 -1.72 0.00 0.00 179.24 178.12 2fae h TYR 71 N 0.78 0.63 -0.53 4.55 3.20 -1.06 -2.35 116.97 122.19 2fae h TYR 71 Ca 0.41 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 2fae h TYR 71 Cb 0.40 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 2fae h TYR 71 CO -0.06 0.68 0.21 0.82 -1.64 0.00 0.00 178.16 178.17 2fae h ILE 72 N 0.41 1.22 0.00 1.81 2.04 -0.92 -0.93 117.51 121.13 2fae h ILE 72 Ca 0.10 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 2fae h ILE 72 Cb 0.41 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2fae h ILE 72 CO 0.01 0.26 -0.05 0.78 0.00 0.00 0.00 178.15 179.16 2fae h ASN 73 N 0.72 0.00 1.36 1.72 2.35 -0.95 -0.23 115.58 120.55 2fae h ASN 73 Ca 0.18 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 2fae h ASN 73 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2fae h ASN 73 CO -0.01 0.05 -0.66 1.23 -1.65 0.00 0.00 177.43 176.38 2fae h GLY 74 N 0.15 0.00 0.00 2.83 0.00 -0.78 -3.40 103.07 101.87 2fae h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2fae h GLY 74 CO 0.01 0.00 -0.90 1.42 0.00 0.00 0.00 176.54 177.06 2fae n HIS 75 N -3.00 0.00 -2.10 5.60 8.25 -0.44 -5.03 115.22 118.50 2fae n HIS 75 Ca -0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2fae n HIS 75 Cb 0.66 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.73 2fae n HIS 75 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2fae s GLN 76 N -1.92 4.34 0.00 -0.41 0.74 -0.13 -5.02 119.66 117.25 2fae s GLN 76 Ca -0.00 2.23 0.00 0.00 0.05 0.00 0.00 55.36 57.63 2fae s GLN 76 Cb 0.01 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 31.04 2fae s GLN 76 CO 0.03 -0.23 0.21 0.00 -0.55 0.00 0.00 175.29 174.76