#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fac s THR 2 N 0.00 2.96 0.19 6.66 -4.23 -1.26 -4.87 115.64 115.09 2fac s THR 2 Ca 0.00 0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 2fac s THR 2 Cb 0.00 -3.27 0.11 0.00 1.34 0.00 0.00 72.50 70.68 2fac s THR 2 CO 0.00 -0.31 1.79 0.40 -0.54 0.00 0.00 174.62 175.95 2fac h ILE 3 N -0.59 0.94 -0.17 2.99 1.08 -2.01 -0.74 117.51 119.01 2fac h ILE 3 Ca -0.45 -0.19 0.05 0.00 -0.39 0.00 0.00 64.86 63.88 2fac h ILE 3 Cb 1.28 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 35.32 2fac h ILE 3 CO 0.63 0.10 -0.20 -0.08 -0.69 0.00 0.00 178.15 177.90 2fac h GLU 4 N 0.55 -0.23 -0.62 2.37 4.81 -1.95 0.18 114.58 119.69 2fac h GLU 4 Ca 0.26 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.53 2fac h GLU 4 Cb 0.18 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2fac h GLU 4 CO -0.18 -0.15 0.38 0.93 -0.73 0.00 0.00 179.01 179.25 2fac h GLU 5 N -0.24 0.72 -0.44 1.92 5.08 -1.76 -1.17 114.58 118.69 2fac h GLU 5 Ca 0.11 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 2fac h GLU 5 Cb 0.40 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2fac h GLU 5 CO -0.31 0.47 -0.23 0.00 -1.00 0.00 0.00 179.01 177.95 2fac h ARG 6 N 0.74 0.91 -0.03 2.33 3.08 -0.62 -1.51 114.38 119.27 2fac h ARG 6 Ca 0.25 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 2fac h ARG 6 Cb 0.03 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2fac h ARG 6 CO -0.11 1.04 0.00 0.28 -1.07 0.00 0.00 179.97 180.11 2fac h VAL 7 N 0.78 1.22 -0.82 2.04 2.07 -0.84 -1.90 116.25 118.81 2fac h VAL 7 Ca 0.10 -0.66 0.05 0.00 0.82 0.00 0.00 66.70 67.01 2fac h VAL 7 Cb 0.78 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 2fac h VAL 7 CO 0.06 0.18 0.54 0.11 0.02 0.00 0.00 177.57 178.48 2fac h LYS 8 N -0.22 0.93 -0.43 1.57 1.57 -1.16 -0.70 116.57 118.13 2fac h LYS 8 Ca 0.01 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2fac h LYS 8 Cb 0.28 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2fac h LYS 8 CO 0.00 0.62 0.09 -0.22 -0.57 0.00 0.00 179.45 179.36 2fac h LYS 9 N 0.96 0.70 -0.61 3.15 3.64 -1.11 -0.44 116.57 122.86 2fac h LYS 9 Ca 0.34 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 2fac h LYS 9 Cb 0.13 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2fac h LYS 9 CO -0.11 0.72 0.10 0.82 -2.27 0.00 0.00 179.45 178.71 2fac h ILE 10 N 0.57 1.26 -0.49 2.00 2.04 -0.77 -0.76 117.51 121.35 2fac h ILE 10 Ca 0.13 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.99 2fac h ILE 10 Cb 0.35 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2fac h ILE 10 CO 0.01 0.37 0.31 0.40 0.00 0.00 0.00 178.15 179.24 2fac h ILE 11 N 0.91 1.14 -0.14 -0.67 2.04 -0.96 0.59 117.51 120.43 2fac h ILE 11 Ca 0.18 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2fac h ILE 11 Cb 0.43 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2fac h ILE 11 CO 0.01 0.14 0.08 1.23 0.00 0.00 0.00 178.15 179.61 2fac h GLY 12 N 0.66 0.20 0.96 5.37 0.00 -0.86 -1.52 103.07 107.89 2fac h GLY 12 Ca 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2fac h GLY 12 CO -0.04 0.09 0.17 0.83 0.00 0.00 0.00 176.54 177.59 2fac h GLU 13 N 0.14 0.73 -0.30 4.80 5.08 -0.91 -0.31 114.58 123.82 2fac h GLU 13 Ca 0.05 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2fac h GLU 13 Cb 0.05 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2fac h GLU 13 CO -0.01 0.68 0.13 0.37 -1.00 0.00 0.00 179.01 179.18 2fac h GLN 14 N 0.64 0.44 -0.02 2.33 5.75 -0.77 -3.06 115.11 120.42 2fac h GLN 14 Ca 0.16 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 2fac h GLN 14 Cb 0.24 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.71 2fac h GLN 14 CO -0.01 0.45 -0.05 1.28 -2.65 0.00 0.00 178.83 177.85 2fac n LEU 15 N -4.75 1.73 -3.61 -2.39 4.77 -0.58 -4.96 117.00 107.21 2fac n LEU 15 Ca -0.02 -0.57 -0.24 0.00 -0.03 0.00 0.00 56.01 55.15 2fac n LEU 15 Cb 0.13 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 2fac n LEU 15 CO 0.36 0.29 0.22 0.61 -1.33 0.00 0.00 177.39 177.54 2fac n GLY 16 N 1.24 -0.53 3.41 -0.72 0.00 -0.18 -4.99 105.19 103.42 2fac n GLY 16 Ca 0.17 0.24 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 2fac n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fac s VAL 17 N -3.33 2.64 0.54 1.61 -7.23 -0.84 -5.05 120.40 108.74 2fac s VAL 17 Ca 0.54 -0.90 -0.20 0.00 -1.81 0.00 0.00 61.98 59.60 2fac s VAL 17 Cb -0.24 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 2fac s VAL 17 CO 0.74 0.58 1.18 -1.59 -0.31 0.00 0.00 175.10 175.70 2fac s LYS 18 N -0.71 3.31 0.34 4.82 -2.85 -1.26 -4.54 119.74 118.85 2fac s LYS 18 Ca 0.11 1.77 0.09 0.00 -1.00 0.00 0.00 55.97 56.94 2fac s LYS 18 Cb -0.10 -2.10 0.81 0.00 -2.06 0.00 0.00 37.83 34.38 2fac s LYS 18 CO 0.00 -0.92 1.82 1.96 0.10 0.00 0.00 175.35 178.31 2fac h GLN 19 N 1.33 0.68 0.00 1.78 1.08 -1.95 -1.56 115.11 116.47 2fac h GLN 19 Ca -0.50 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 56.65 2fac h GLN 19 Cb 1.27 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 28.55 2fac h GLN 19 CO 0.57 0.45 -0.04 1.05 -0.95 0.00 0.00 178.83 179.91 2fac h GLU 20 N 0.70 0.00 0.00 1.46 9.09 -2.01 -1.76 114.58 122.05 2fac h GLU 20 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 2fac h GLU 20 Cb 0.87 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.97 2fac h GLU 20 CO -0.28 0.04 -0.20 0.93 0.05 0.00 0.00 179.01 179.55 2fac h GLU 21 N 0.00 0.00 -3.49 1.06 5.08 -1.65 -3.39 114.58 112.19 2fac h GLU 21 Ca -0.00 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.62 2fac h GLU 21 Cb 0.13 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.26 2fac h GLU 21 CO 0.01 0.00 2.39 0.28 -1.00 0.00 0.00 179.01 180.68 2fac n VAL 22 N -2.27 4.24 -2.58 3.13 0.31 -0.66 -4.86 118.33 115.64 2fac n VAL 22 Ca 0.05 -4.01 -0.29 0.00 -0.01 0.00 0.00 64.34 60.07 2fac n VAL 22 Cb 0.44 -2.39 -0.01 0.00 -0.91 0.00 0.00 33.84 30.96 2fac n VAL 22 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2fac s THR 23 N 0.91 4.80 0.50 2.52 -4.23 -1.26 -4.96 115.64 113.91 2fac s THR 23 Ca 0.44 0.55 0.17 0.00 -1.18 0.00 0.00 61.69 61.67 2fac s THR 23 Cb 0.12 -3.80 0.31 0.00 1.34 0.00 0.00 72.50 70.47 2fac s THR 23 CO -0.03 -0.76 2.07 0.78 -0.54 0.00 0.00 174.62 176.14 2fac h ASN 24 N 0.59 0.12 0.15 3.99 4.21 -1.94 -1.80 115.58 120.89 2fac h ASN 24 Ca -0.47 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.04 2fac h ASN 24 Cb 1.19 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.37 2fac h ASN 24 CO 0.62 0.08 -0.10 -0.46 -1.29 0.00 0.00 177.43 176.28 2fac n ASN 25 N -4.48 0.96 -4.75 5.81 0.23 -1.26 -0.63 115.26 111.14 2fac n ASN 25 Ca 0.03 -1.04 -0.41 0.00 -0.53 0.00 0.00 54.58 52.62 2fac n ASN 25 Cb 0.26 0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 37.96 2fac n ASN 25 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2fac s ALA 26 N -2.26 3.54 -0.06 -2.53 0.00 -0.68 -4.81 121.76 114.97 2fac s ALA 26 Ca 0.33 1.22 -0.23 0.00 0.00 0.00 0.00 51.96 53.27 2fac s ALA 26 Cb 0.20 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2fac s ALA 26 CO 0.43 -0.62 0.68 0.45 0.00 0.00 0.00 175.76 176.70 2fac s SER 27 N 0.03 6.97 0.15 0.00 0.15 -1.26 -1.34 113.70 118.41 2fac s SER 27 Ca 0.54 1.17 -0.17 0.00 0.70 0.00 0.00 55.95 58.20 2fac s SER 27 Cb -0.39 -2.40 0.05 0.00 -1.71 0.00 0.00 66.02 61.57 2fac s SER 27 CO 0.45 -0.09 1.73 -0.26 1.20 0.00 0.00 173.24 176.27 2fac h PHE 28 N 6.65 0.12 0.00 3.44 -1.00 -1.66 -0.48 116.94 124.02 2fac h PHE 28 Ca -0.41 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.39 2fac h PHE 28 Cb 1.20 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.75 2fac h PHE 28 CO 0.65 0.03 -0.00 0.28 -1.61 0.00 0.00 178.31 177.65 2fac h VAL 29 N 0.19 1.67 0.00 -0.55 2.07 -1.80 -1.29 116.25 116.53 2fac h VAL 29 Ca 0.15 -2.04 -0.11 0.00 0.82 0.00 0.00 66.70 65.53 2fac h VAL 29 Cb 0.16 3.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 2fac h VAL 29 CO -0.19 0.52 -0.58 -0.33 0.02 0.00 0.00 177.57 177.01 2fac h GLU 30 N -0.88 0.00 0.00 1.57 5.08 -1.90 -3.14 114.58 115.30 2fac h GLU 30 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 2fac h GLU 30 Cb 0.86 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 2fac h GLU 30 CO 0.00 0.47 -1.85 -0.25 -1.00 0.00 0.00 179.01 176.38 2fac n ASP 31 N -3.19 2.60 -1.00 1.42 8.00 -0.28 -4.69 116.55 119.41 2fac n ASP 31 Ca 0.01 -0.06 0.12 0.00 0.71 0.00 0.00 54.79 55.57 2fac n ASP 31 Cb 0.74 0.07 0.25 0.00 -0.02 0.00 0.00 41.12 42.16 2fac n ASP 31 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2fac n LEU 32 N -2.79 2.99 -1.60 0.64 4.77 -0.66 -4.97 117.00 115.37 2fac n LEU 32 Ca -0.25 -1.27 -0.16 0.00 -0.03 0.00 0.00 56.01 54.30 2fac n LEU 32 Cb 0.82 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.67 2fac n LEU 32 CO 0.18 0.64 -0.19 0.61 -1.33 0.00 0.00 177.39 177.30 2fac n GLY 33 N 1.41 0.53 3.68 -0.72 0.00 -1.02 -4.93 105.19 104.14 2fac n GLY 33 Ca 0.18 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2fac n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fac s ALA 34 N -2.73 3.61 0.79 4.61 0.00 -0.52 -4.99 121.76 122.53 2fac s ALA 34 Ca 0.00 0.88 -0.05 0.00 0.00 0.00 0.00 51.96 52.79 2fac s ALA 34 Cb 0.00 -3.64 0.13 0.00 0.00 0.00 0.00 23.12 19.62 2fac s ALA 34 CO 0.00 -1.06 0.86 -0.40 0.00 0.00 0.00 175.76 175.16 2fac n ASP 35 N 5.88 0.66 -0.31 0.00 5.68 -1.26 -4.53 116.55 122.67 2fac n ASP 35 Ca 0.14 -1.67 -0.03 0.00 -0.50 0.00 0.00 54.79 52.73 2fac n ASP 35 Cb 0.43 -0.60 0.09 0.00 -1.14 0.00 0.00 41.12 39.90 2fac n ASP 35 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2fac h SER 36 N -0.79 0.94 -0.28 -1.12 0.02 -2.01 -2.06 113.55 108.25 2fac h SER 36 Ca -0.28 -0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.46 2fac h SER 36 Cb 0.92 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2fac h SER 36 CO 0.25 0.67 -0.57 0.25 -1.14 0.00 0.00 176.83 176.29 2fac h LEU 37 N 1.10 0.99 -0.75 5.07 5.85 -2.00 -3.06 115.31 122.52 2fac h LEU 37 Ca 0.32 -0.54 0.13 0.00 0.84 0.00 0.00 57.88 58.62 2fac h LEU 37 Cb -0.08 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 40.57 2fac h LEU 37 CO -0.08 1.34 0.32 0.44 -0.34 0.00 0.00 178.44 180.12 2fac h ASP 38 N 0.67 0.34 -0.50 1.25 3.32 -1.82 -0.50 116.42 119.19 2fac h ASP 38 Ca 0.01 0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 2fac h ASP 38 Cb 1.18 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 2fac h ASP 38 CO 0.13 0.15 0.03 0.71 -1.72 0.00 0.00 179.24 178.54 2fac h THR 39 N 0.50 1.25 -0.62 0.35 1.35 -1.30 0.15 112.91 114.58 2fac h THR 39 Ca 0.40 -1.04 -0.04 0.00 -0.55 0.00 0.00 66.41 65.18 2fac h THR 39 Cb 0.56 0.80 -0.03 0.00 -1.73 0.00 0.00 68.15 67.76 2fac h THR 39 CO -0.36 0.37 0.25 0.58 -0.25 0.00 0.00 175.52 176.11 2fac h VAL 40 N 0.85 1.23 -0.21 6.82 2.07 -1.12 -1.01 116.25 124.89 2fac h VAL 40 Ca 0.16 -0.73 -0.13 0.00 0.82 0.00 0.00 66.70 66.82 2fac h VAL 40 Cb 0.47 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2fac h VAL 40 CO 0.02 0.28 -0.43 -0.33 0.02 0.00 0.00 177.57 177.14 2fac h GLU 41 N 0.86 0.50 -0.58 1.57 5.08 -0.76 -2.15 114.58 119.10 2fac h GLU 41 Ca 0.21 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 2fac h GLU 41 Cb 0.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2fac h GLU 41 CO -0.02 0.84 -0.04 1.25 -1.00 0.00 0.00 179.01 180.04 2fac h LEU 42 N 0.41 1.03 -0.33 1.33 5.85 -0.42 -0.21 115.31 122.97 2fac h LEU 42 Ca 0.03 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 2fac h LEU 42 Cb 0.92 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2fac h LEU 42 CO 0.08 1.11 0.20 0.58 -0.34 0.00 0.00 178.44 180.06 2fac h VAL 43 N 0.95 1.12 -0.82 1.05 2.07 -1.06 -1.66 116.25 117.91 2fac h VAL 43 Ca 0.16 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2fac h VAL 43 Cb 0.60 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2fac h VAL 43 CO 0.04 0.12 0.40 0.24 0.02 0.00 0.00 177.57 178.38 2fac h MET 44 N 0.43 1.17 -0.79 1.57 2.86 -1.19 -1.15 114.93 117.83 2fac h MET 44 Ca 0.12 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2fac h MET 44 Cb 0.02 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.43 2fac h MET 44 CO -0.02 0.89 0.32 0.00 1.06 0.00 0.00 176.91 179.16 2fac h ALA 45 N 1.27 1.02 -0.09 6.32 0.00 -0.68 -1.61 119.26 125.50 2fac h ALA 45 Ca 0.28 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2fac h ALA 45 Cb 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2fac h ALA 45 CO -0.04 0.65 -0.63 -0.07 0.00 0.00 0.00 179.25 179.16 2fac h LEU 46 N 1.14 0.37 -0.87 0.00 3.38 -0.96 -1.91 115.31 116.47 2fac h LEU 46 Ca 0.26 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2fac h LEU 46 Cb 0.21 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2fac h LEU 46 CO -0.02 0.91 -0.05 -0.33 0.09 0.00 0.00 178.44 179.04 2fac h GLU 47 N 0.23 0.79 -0.03 1.13 5.08 -0.98 -0.73 114.58 120.07 2fac h GLU 47 Ca -0.01 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2fac h GLU 47 Cb 1.16 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 2fac h GLU 47 CO 0.10 0.83 -0.02 1.49 -1.00 0.00 0.00 179.01 180.41 2fac h GLU 48 N 0.73 0.07 -0.64 2.33 4.57 -1.11 -1.74 114.58 118.78 2fac h GLU 48 Ca 0.13 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 2fac h GLU 48 Cb 0.51 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 2fac h GLU 48 CO 0.03 0.49 0.15 1.49 -1.18 0.00 0.00 179.01 179.98 2fac h GLU 49 N -0.36 1.02 -0.50 1.92 4.57 -1.29 -3.27 114.58 116.67 2fac h GLU 49 Ca 0.01 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2fac h GLU 49 Cb 0.47 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2fac h GLU 49 CO 0.01 0.91 0.00 1.19 -1.18 0.00 0.00 179.01 179.94 2fac n PHE 50 N -4.24 0.76 -3.97 0.92 3.01 -0.29 -5.01 117.46 108.64 2fac n PHE 50 Ca 0.05 -0.53 -0.26 0.00 1.01 0.00 0.00 57.45 57.71 2fac n PHE 50 Cb 0.25 -0.05 -0.02 0.00 -0.01 0.00 0.00 39.48 39.65 2fac n PHE 50 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2fac n ASP 51 N 0.90 -0.67 -3.77 4.37 10.43 -0.66 -3.53 116.55 123.62 2fac n ASP 51 Ca 0.18 -1.00 -0.13 0.00 2.57 0.00 0.00 54.79 56.41 2fac n ASP 51 Cb 0.56 -3.07 -0.11 0.00 1.84 0.00 0.00 41.12 40.34 2fac n ASP 51 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2fac s THR 52 N -3.89 -0.00 -0.15 -3.53 -1.32 -1.19 -4.28 115.64 101.28 2fac s THR 52 Ca 0.08 0.01 -0.06 0.00 -1.21 0.00 0.00 61.69 60.50 2fac s THR 52 Cb -0.04 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.50 2fac s THR 52 CO 0.89 0.00 0.07 -1.61 -2.21 0.00 0.00 174.62 171.77 2fac s GLU 53 N 0.20 3.68 -0.18 7.08 0.41 -1.26 -4.35 118.70 124.29 2fac s GLU 53 Ca -0.00 -0.29 -0.04 0.00 -0.41 0.00 0.00 54.97 54.22 2fac s GLU 53 Cb -0.02 -3.15 -0.02 0.00 -1.78 0.00 0.00 34.13 29.16 2fac s GLU 53 CO -0.00 0.48 -0.02 -1.50 -0.49 0.00 0.00 175.26 173.73 2fac s ILE 54 N -0.20 3.89 0.28 -1.63 2.07 -1.26 -5.08 121.20 119.26 2fac s ILE 54 Ca 0.08 -0.35 -0.30 0.00 -1.41 0.00 0.00 60.65 58.67 2fac s ILE 54 Cb -0.12 -2.73 -0.12 0.00 0.13 0.00 0.00 42.46 39.61 2fac s ILE 54 CO 0.01 0.46 1.48 -2.65 -1.91 0.00 0.00 174.94 172.33 2fac n PRO 55 N 3.97 2.35 -0.28 3.50 -0.02 -1.26 -4.73 135.00 138.53 2fac n PRO 55 Ca -0.17 0.84 0.17 0.00 -2.02 0.00 0.00 63.50 62.31 2fac n PRO 55 Cb 0.52 -2.54 0.45 0.00 -0.02 0.00 0.00 33.50 31.90 2fac n PRO 55 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2fac h ASP 56 N 4.28 0.54 -0.88 2.55 3.32 -1.99 0.14 116.42 124.38 2fac h ASP 56 Ca -0.46 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2fac h ASP 56 Cb 1.25 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.72 2fac h ASP 56 CO 0.76 0.21 0.55 1.05 -1.72 0.00 0.00 179.24 180.09 2fac h GLU 57 N 0.53 1.18 0.03 3.56 4.11 -2.00 -1.44 114.58 120.55 2fac h GLU 57 Ca 0.50 -0.09 -0.20 0.00 0.07 0.00 0.00 59.36 59.64 2fac h GLU 57 Cb 1.07 -0.25 0.02 0.00 0.50 0.00 0.00 28.75 30.08 2fac h GLU 57 CO -0.24 0.81 -0.81 0.93 0.07 0.00 0.00 179.01 179.77 2fac h GLU 58 N 1.20 0.50 -0.51 1.06 5.08 -1.16 -3.25 114.58 117.51 2fac h GLU 58 Ca 0.32 -0.58 0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2fac h GLU 58 Cb -0.09 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2fac h GLU 58 CO -0.06 1.21 0.34 0.00 -1.00 0.00 0.00 179.01 179.49 2fac h ALA 59 N 0.31 1.74 -0.09 3.43 0.00 -0.88 -1.47 119.26 122.30 2fac h ALA 59 Ca -0.11 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2fac h ALA 59 Cb 1.52 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2fac h ALA 59 CO 0.16 0.21 0.10 1.49 0.00 0.00 0.00 179.25 181.21 2fac h GLU 60 N 0.59 0.00 -0.01 0.00 4.81 -1.30 -1.09 114.58 117.59 2fac h GLU 60 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2fac h GLU 60 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2fac h GLU 60 CO -0.05 0.00 -0.34 1.63 -0.73 0.00 0.00 179.01 179.52 2fac n LYS 61 N -3.88 0.93 -2.95 1.92 5.02 -0.56 -4.68 118.16 113.96 2fac n LYS 61 Ca -0.01 -0.63 -0.44 0.00 -2.02 0.00 0.00 58.31 55.21 2fac n LYS 61 Cb 0.20 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 2fac n LYS 61 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2fac s ILE 62 N -2.51 4.91 -1.00 -0.18 1.01 -0.41 -4.83 121.20 118.19 2fac s ILE 62 Ca 0.22 -2.16 0.24 0.00 0.00 0.00 0.00 60.65 58.95 2fac s ILE 62 Cb 0.19 -4.84 -0.05 0.00 0.01 0.00 0.00 42.46 37.77 2fac s ILE 62 CO 0.54 -1.56 1.30 0.35 0.00 0.00 0.00 174.94 175.57 2fac n THR 63 N 4.99 0.00 -4.33 2.92 -2.24 -1.26 -4.86 114.28 109.49 2fac n THR 63 Ca 0.30 -0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.91 2fac n THR 63 Cb 0.46 0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 69.01 2fac n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2fac s THR 64 N -3.00 1.50 0.19 4.28 -4.23 -1.26 -1.62 115.64 111.49 2fac s THR 64 Ca 0.10 -2.14 -0.12 0.00 -1.18 0.00 0.00 61.69 58.35 2fac s THR 64 Cb 0.17 -2.09 0.10 0.00 1.34 0.00 0.00 72.50 72.03 2fac s THR 64 CO 0.74 -0.56 1.74 0.58 -0.54 0.00 0.00 174.62 176.58 2fac h VAL 65 N 2.56 0.79 -0.86 2.29 2.07 -1.28 -1.54 116.25 120.27 2fac h VAL 65 Ca -0.38 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2fac h VAL 65 Cb 1.22 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2fac h VAL 65 CO 0.63 0.06 0.44 -0.61 0.02 0.00 0.00 177.57 178.11 2fac h GLN 66 N 0.33 1.22 -0.89 1.57 5.75 -1.15 -0.61 115.11 121.32 2fac h GLN 66 Ca 0.25 -0.16 0.01 0.00 -0.15 0.00 0.00 58.65 58.60 2fac h GLN 66 Cb 0.30 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 2fac h GLN 66 CO -0.28 0.92 0.59 0.00 -2.65 0.00 0.00 178.83 177.41 2fac h ALA 67 N 1.26 1.13 -0.16 3.38 0.00 -1.59 0.87 119.26 124.16 2fac h ALA 67 Ca 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2fac h ALA 67 Cb 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2fac h ALA 67 CO -0.04 0.53 0.05 0.00 0.00 0.00 0.00 179.25 179.79 2fac h ALA 68 N 1.33 0.21 -0.57 0.00 0.00 -0.77 -1.11 119.26 118.35 2fac h ALA 68 Ca 0.33 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2fac h ALA 68 Cb -0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2fac h ALA 68 CO -0.07 -0.17 0.35 0.82 0.00 0.00 0.00 179.25 180.18 2fac h ILE 69 N 0.08 1.07 -0.69 0.00 2.04 -0.63 -1.32 117.51 118.06 2fac h ILE 69 Ca 0.05 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2fac h ILE 69 Cb 0.23 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2fac h ILE 69 CO -0.00 0.13 0.45 0.44 0.00 0.00 0.00 178.15 179.16 2fac h ASP 70 N 0.69 0.80 -0.50 1.72 3.32 -0.72 -0.19 116.42 121.55 2fac h ASP 70 Ca 0.23 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 2fac h ASP 70 Cb 0.01 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2fac h ASP 70 CO -0.09 0.59 0.09 0.22 -1.72 0.00 0.00 179.24 178.33 2fac h TYR 71 N 0.94 0.87 -0.48 4.55 3.20 -0.84 -0.76 116.97 124.45 2fac h TYR 71 Ca 0.25 -0.12 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 2fac h TYR 71 Cb -0.09 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 2fac h TYR 71 CO -0.02 0.79 -0.06 0.82 -1.64 0.00 0.00 178.16 178.04 2fac h ILE 72 N 0.69 1.27 -0.13 1.81 1.08 -0.92 0.76 117.51 122.07 2fac h ILE 72 Ca 0.15 -1.17 -0.07 0.00 -0.39 0.00 0.00 64.86 63.38 2fac h ILE 72 Cb 0.38 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 2fac h ILE 72 CO 0.01 0.41 -0.23 0.78 -0.69 0.00 0.00 178.15 178.42 2fac h ASN 73 N 0.74 0.22 1.06 1.72 2.35 -0.87 0.40 115.58 121.20 2fac h ASN 73 Ca 0.13 -0.06 -0.20 0.00 -0.55 0.00 0.00 56.30 55.62 2fac h ASN 73 Cb 0.60 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 2fac h ASN 73 CO 0.04 0.46 -0.95 1.23 -1.65 0.00 0.00 177.43 176.56 2fac h GLY 74 N 0.92 0.00 -0.18 2.83 0.00 -0.88 -3.37 103.07 102.39 2fac h GLY 74 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2fac h GLY 74 CO 0.04 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.00 2fac n HIS 75 N -3.32 0.03 -1.86 5.60 8.25 0.24 -5.04 115.22 119.11 2fac n HIS 75 Ca -0.00 -0.22 -0.41 0.00 -0.26 0.00 0.00 57.72 56.82 2fac n HIS 75 Cb 0.91 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.98 2fac n HIS 75 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2fac s GLN 76 N -0.52 4.18 0.00 -0.41 0.74 0.14 -4.81 119.66 118.97 2fac s GLN 76 Ca 0.03 2.47 0.11 0.00 0.05 0.00 0.00 55.36 58.02 2fac s GLN 76 Cb 0.02 -3.06 0.09 0.00 1.10 0.00 0.00 33.01 31.15 2fac s GLN 76 CO 0.02 -0.56 0.84 0.00 -0.55 0.00 0.00 175.29 175.04