#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mho h GLU 2 N 0.00 1.11 -0.24 4.33 4.39 -2.05 -0.61 114.58 121.52 1mho h GLU 2 Ca 0.00 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 1mho h GLU 2 Cb 0.00 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 1mho h GLU 2 CO 0.00 0.82 0.08 1.25 -1.16 0.00 0.00 179.01 180.00 1mho h LEU 3 N 1.11 0.34 -1.04 1.33 6.46 -2.06 -1.35 115.31 120.10 1mho h LEU 3 Ca 0.28 -0.19 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 1mho h LEU 3 Cb 0.03 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 1mho h LEU 3 CO -0.05 0.44 0.24 -0.33 -0.62 0.00 0.00 178.44 178.12 1mho h GLU 4 N 0.22 0.92 -0.22 1.25 5.08 -1.88 -1.77 114.58 118.19 1mho h GLU 4 Ca 0.08 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 1mho h GLU 4 Cb 0.21 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1mho h GLU 4 CO -0.00 0.76 -0.44 0.87 -1.00 0.00 0.00 179.01 179.20 1mho h LYS 5 N 0.90 0.55 -0.23 2.33 1.57 -1.09 -1.89 116.57 118.71 1mho h LYS 5 Ca 0.21 -0.29 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 1mho h LYS 5 Cb 0.19 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1mho h LYS 5 CO -0.02 0.88 -0.42 0.00 -0.57 0.00 0.00 179.45 179.33 1mho h ALA 6 N 1.08 0.85 -0.24 3.86 0.00 -0.74 -1.46 119.26 122.60 1mho h ALA 6 Ca 0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1mho h ALA 6 Cb 0.94 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1mho h ALA 6 CO 0.08 0.65 0.13 0.28 0.00 0.00 0.00 179.25 180.39 1mho h VAL 7 N 0.45 1.12 -0.03 0.00 2.07 -1.09 -2.23 116.25 116.54 1mho h VAL 7 Ca 0.04 -0.31 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 1mho h VAL 7 Cb 0.92 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1mho h VAL 7 CO 0.08 0.11 -0.51 -0.37 0.02 0.00 0.00 177.57 176.91 1mho h VAL 8 N 0.28 1.36 -0.52 2.57 -1.51 -1.03 -2.77 116.25 114.63 1mho h VAL 8 Ca 0.08 -1.75 -0.03 0.00 -1.23 0.00 0.00 66.70 63.77 1mho h VAL 8 Cb 0.06 1.91 -0.02 0.00 -2.13 0.00 0.00 31.29 31.11 1mho h VAL 8 CO -0.01 0.51 0.19 0.00 -1.23 0.00 0.00 177.57 177.02 1mho h ALA 9 N 1.42 1.36 -0.35 5.19 0.00 -0.83 -0.18 119.26 125.87 1mho h ALA 9 Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1mho h ALA 9 Cb 0.92 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1mho h ALA 9 CO 0.07 0.47 0.15 -0.07 0.00 0.00 0.00 179.25 179.88 1mho h LEU 10 N 0.74 0.48 -0.34 0.00 3.38 -1.14 -0.46 115.31 117.97 1mho h LEU 10 Ca 0.18 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1mho h LEU 10 Cb 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1mho h LEU 10 CO -0.01 0.49 0.01 0.40 0.09 0.00 0.00 178.44 179.42 1mho h ILE 11 N 0.43 1.26 -0.27 1.22 2.04 -1.31 -2.27 117.51 118.60 1mho h ILE 11 Ca 0.12 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1mho h ILE 11 Cb 0.16 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1mho h ILE 11 CO -0.01 0.31 0.18 -0.78 0.00 0.00 0.00 178.15 177.85 1mho h ASP 12 N 0.40 0.32 -0.32 1.72 3.58 -0.64 -1.53 116.42 119.95 1mho h ASP 12 Ca 0.10 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 1mho h ASP 12 Cb 0.44 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1mho h ASP 12 CO 0.02 0.24 0.06 0.58 -2.88 0.00 0.00 179.24 177.25 1mho h VAL 13 N 0.36 1.23 -0.58 2.25 2.07 -1.13 -1.14 116.25 119.31 1mho h VAL 13 Ca 0.10 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.84 1mho h VAL 13 Cb -0.03 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1mho h VAL 13 CO -0.02 0.26 0.36 0.15 0.02 0.00 0.00 177.57 178.35 1mho h PHE 14 N 0.36 0.68 -0.14 1.57 3.57 -1.28 -2.65 116.94 119.05 1mho h PHE 14 Ca 0.10 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 1mho h PHE 14 Cb 0.34 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1mho h PHE 14 CO 0.02 0.40 -0.40 0.45 -2.23 0.00 0.00 178.31 176.55 1mho h HIS 15 N 0.72 0.35 -0.75 0.41 3.86 -0.92 0.52 115.15 119.34 1mho h HIS 15 Ca 0.23 -0.10 0.05 0.00 -1.16 0.00 0.00 60.37 59.39 1mho h HIS 15 Cb -0.01 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.33 1mho h HIS 15 CO -0.05 0.66 0.49 1.96 0.86 0.00 0.00 177.93 181.85 1mho h GLN 16 N 0.25 0.84 0.02 2.45 1.08 -0.86 -2.93 115.11 115.96 1mho h GLN 16 Ca 0.02 -0.05 -0.34 0.00 -1.45 0.00 0.00 58.65 56.83 1mho h GLN 16 Cb 0.82 -0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 28.01 1mho h GLN 16 CO 0.07 0.55 -2.07 0.66 -0.95 0.00 0.00 178.83 177.09 1mho n TYR 17 N -4.47 0.61 0.17 2.96 4.02 -1.07 -4.47 117.16 114.92 1mho n TYR 17 Ca 0.10 0.19 0.05 0.00 -0.01 0.00 0.00 57.90 58.22 1mho n TYR 17 Cb 0.17 -1.10 0.26 0.00 -0.02 0.00 0.00 39.34 38.64 1mho n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1mho h SER 18 N 0.01 0.00 -0.20 7.72 4.64 -0.87 -3.19 113.55 121.65 1mho h SER 18 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1mho h SER 18 Cb 2.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 1mho h SER 18 CO 0.04 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 1mho n GLY 19 N 0.46 0.15 0.10 -0.77 0.00 -1.11 -3.99 105.19 100.04 1mho n GLY 19 Ca 0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 1mho n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mho h ARG 20 N 1.68 0.21 -4.68 1.61 3.08 -1.78 -3.47 114.38 111.03 1mho h ARG 20 Ca 0.00 -0.14 -0.26 0.00 0.07 0.00 0.00 59.98 59.66 1mho h ARG 20 Cb 0.38 0.02 -0.18 0.00 0.08 0.00 0.00 29.97 30.27 1mho h ARG 20 CO 0.00 0.73 -0.72 -1.21 -1.07 0.00 0.00 179.97 177.70 1mho s GLU 21 N -3.94 0.72 2.08 0.04 2.02 -1.26 -5.09 118.70 113.28 1mho s GLU 21 Ca -0.15 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 53.75 1mho s GLU 21 Cb 0.03 -0.30 0.00 0.00 0.10 0.00 0.00 34.13 33.96 1mho s GLU 21 CO 0.73 0.03 0.00 0.41 0.02 0.00 0.00 175.26 176.44 1mho n GLY 22 N 0.62 2.36 3.69 -1.39 0.00 -1.26 -4.43 105.19 104.78 1mho n GLY 22 Ca -0.17 -0.15 -0.51 0.00 0.00 0.00 0.00 46.02 45.19 1mho n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mho n ASP 23 N 0.68 3.04 0.00 1.61 -0.08 -1.26 -4.87 116.55 115.66 1mho n ASP 23 Ca 0.00 1.02 0.11 0.00 -1.51 0.00 0.00 54.79 54.41 1mho n ASP 23 Cb 0.00 -1.29 0.50 0.00 2.34 0.00 0.00 41.12 42.67 1mho n ASP 23 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1mho n LYS 24 N 5.97 0.01 -0.16 -0.67 4.76 -1.26 -3.45 118.16 123.37 1mho n LYS 24 Ca 0.24 0.10 0.06 0.00 -2.87 0.00 0.00 58.31 55.83 1mho n LYS 24 Cb 0.24 -1.50 0.13 0.00 -1.84 0.00 0.00 35.03 32.06 1mho n LYS 24 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1mho n HIS 25 N -1.49 0.32 -4.00 2.13 8.25 -1.26 -3.55 115.22 115.62 1mho n HIS 25 Ca 0.06 -0.70 -0.08 0.00 -0.26 0.00 0.00 57.72 56.73 1mho n HIS 25 Cb 0.27 -0.13 -0.10 0.00 1.12 0.00 0.00 29.99 31.16 1mho n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1mho s LYS 26 N -1.85 0.58 -0.27 -0.41 1.02 -1.22 -4.31 119.74 113.27 1mho s LYS 26 Ca 0.23 -0.96 -0.10 0.00 0.02 0.00 0.00 55.97 55.16 1mho s LYS 26 Cb 0.17 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.65 1mho s LYS 26 CO 0.07 -0.13 0.14 -0.51 -0.92 0.00 0.00 175.35 174.00 1mho s LEU 27 N -2.45 3.81 0.65 3.17 1.43 0.13 -4.58 118.68 120.83 1mho s LEU 27 Ca -0.00 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1mho s LEU 27 Cb 0.02 -2.04 0.07 0.00 0.03 0.00 0.00 46.19 44.27 1mho s LEU 27 CO -0.07 -0.05 0.91 -1.59 0.23 0.00 0.00 176.35 175.78 1mho s LYS 28 N 1.70 2.16 0.25 1.70 -2.85 -1.26 0.12 119.74 121.56 1mho s LYS 28 Ca 0.07 -0.75 -0.03 0.00 -1.00 0.00 0.00 55.97 54.25 1mho s LYS 28 Cb -0.16 -2.35 0.51 0.00 -2.06 0.00 0.00 37.83 33.77 1mho s LYS 28 CO 0.08 -1.09 1.69 0.87 0.10 0.00 0.00 175.35 177.00 1mho h LYS 29 N -0.30 0.30 -0.13 1.78 1.57 -1.96 -1.40 116.57 116.43 1mho h LYS 29 Ca -0.41 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.22 1mho h LYS 29 Cb 1.29 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1mho h LYS 29 CO 0.50 0.20 -0.51 0.66 -0.57 0.00 0.00 179.45 179.74 1mho h SER 30 N 0.31 0.38 -0.42 0.86 4.64 -1.99 -1.35 113.55 115.98 1mho h SER 30 Ca 0.44 -0.19 -0.12 0.00 -0.47 0.00 0.00 61.79 61.45 1mho h SER 30 Cb 0.76 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1mho h SER 30 CO -0.50 0.83 -0.19 -0.33 -0.87 0.00 0.00 176.83 175.77 1mho h GLU 31 N 0.28 0.87 -0.47 4.77 5.08 -1.67 -2.81 114.58 120.63 1mho h GLU 31 Ca 0.01 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 1mho h GLU 31 Cb 0.99 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1mho h GLU 31 CO 0.08 1.02 0.15 1.25 -1.00 0.00 0.00 179.01 180.51 1mho h LEU 32 N 0.69 0.68 -0.58 1.33 6.46 -1.20 -0.68 115.31 122.02 1mho h LEU 32 Ca 0.10 -0.20 0.05 0.00 -0.12 0.00 0.00 57.88 57.70 1mho h LEU 32 Cb 0.75 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 40.45 1mho h LEU 32 CO 0.06 0.71 0.31 0.50 -0.62 0.00 0.00 178.44 179.39 1mho h LYS 33 N 0.63 0.57 -0.06 1.25 3.64 -1.24 -1.74 116.57 119.61 1mho h LYS 33 Ca 0.15 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 1mho h LYS 33 Cb 0.27 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1mho h LYS 33 CO -0.01 0.38 -0.67 0.93 -2.27 0.00 0.00 179.45 177.81 1mho h GLU 34 N 0.59 0.27 -0.21 1.90 4.39 -1.29 -1.72 114.58 118.50 1mho h GLU 34 Ca 0.26 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1mho h GLU 34 Cb 0.15 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1mho h GLU 34 CO -0.17 0.84 0.11 1.25 -1.16 0.00 0.00 179.01 179.89 1mho h LEU 35 N 0.19 0.27 -0.10 1.33 6.46 -0.68 0.79 115.31 123.57 1mho h LEU 35 Ca -0.02 -0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.67 1mho h LEU 35 Cb 1.21 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 41.04 1mho h LEU 35 CO 0.11 0.29 -0.08 0.40 -0.62 0.00 0.00 178.44 178.54 1mho h ILE 36 N 0.23 0.76 -0.23 4.05 2.04 -1.19 0.32 117.51 123.49 1mho h ILE 36 Ca 0.07 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.78 1mho h ILE 36 Cb 0.09 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1mho h ILE 36 CO -0.01 0.00 -0.47 0.78 0.00 0.00 0.00 178.15 178.45 1mho h ASN 37 N -0.10 0.66 0.51 1.72 -0.26 -1.13 -0.50 115.58 116.49 1mho h ASN 37 Ca 0.07 -0.32 -0.29 0.00 -0.56 0.00 0.00 56.30 55.19 1mho h ASN 37 Cb 0.20 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.25 1mho h ASN 37 CO -0.16 1.03 -1.51 0.78 -1.06 0.00 0.00 177.43 176.51 1mho h ASN 38 N 0.49 0.28 0.00 5.81 2.35 -0.82 -3.40 115.58 120.29 1mho h ASN 38 Ca 0.03 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1mho h ASN 38 Cb 1.01 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1mho h ASN 38 CO 0.09 1.34 -0.57 -0.62 -1.65 0.00 0.00 177.43 176.02 1mho n GLU 39 N -3.37 3.48 -1.04 0.81 -0.58 0.11 -4.61 120.64 115.44 1mho n GLU 39 Ca -0.15 -0.01 -0.03 0.00 -0.42 0.00 0.00 57.16 56.55 1mho n GLU 39 Cb 1.03 -0.97 0.15 0.00 -0.57 0.00 0.00 31.44 31.09 1mho n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1mho n LEU 40 N -1.30 3.28 0.28 -4.62 4.77 -0.20 -4.84 117.00 114.37 1mho n LEU 40 Ca 0.01 -4.09 0.17 0.00 -0.03 0.00 0.00 56.01 52.07 1mho n LEU 40 Cb 0.15 -0.45 0.73 0.00 -2.33 0.00 0.00 43.42 41.52 1mho n LEU 40 CO 0.18 1.58 1.00 0.77 -1.33 0.00 0.00 177.39 179.59 1mho h SER 41 N 1.35 0.00 1.31 -1.43 4.64 -1.77 -0.38 113.55 117.28 1mho h SER 41 Ca 0.10 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1mho h SER 41 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1mho h SER 41 CO 0.22 0.03 -0.69 0.45 -0.87 0.00 0.00 176.83 175.97 1mho h HIS 42 N 0.00 0.00 0.00 4.77 3.86 -1.93 -3.40 115.15 118.45 1mho h HIS 42 Ca -0.00 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.91 1mho h HIS 42 Cb 0.47 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.89 1mho h HIS 42 CO 0.00 0.02 -2.13 1.19 0.86 0.00 0.00 177.93 177.86 1mho n PHE 43 N -2.82 0.00 -4.32 2.45 3.72 -0.99 -5.03 117.46 110.47 1mho n PHE 43 Ca 0.01 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.13 1mho n PHE 43 Cb 0.55 -0.78 -0.11 0.00 -0.94 0.00 0.00 39.48 38.20 1mho n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1mho s LEU 44 N -5.84 2.73 0.32 4.37 1.43 -0.19 -5.12 118.68 116.38 1mho s LEU 44 Ca -0.21 -0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 51.99 1mho s LEU 44 Cb 0.06 -1.51 -0.10 0.00 0.03 0.00 0.00 46.19 44.67 1mho s LEU 44 CO 0.53 0.15 1.20 -1.61 0.23 0.00 0.00 176.35 176.85 1mho s GLU 45 N -2.42 4.43 0.20 1.70 2.02 -1.26 -4.51 118.70 118.87 1mho s GLU 45 Ca 0.20 2.00 -0.32 0.00 0.02 0.00 0.00 54.97 56.87 1mho s GLU 45 Cb -0.10 -3.07 -0.14 0.00 0.10 0.00 0.00 34.13 30.92 1mho s GLU 45 CO 0.11 -0.04 1.30 -1.91 0.02 0.00 0.00 175.26 174.75 1mho n GLU 46 N 0.86 1.63 -3.16 1.61 2.13 -1.26 -4.95 120.64 117.50 1mho n GLU 46 Ca 0.00 0.58 -0.40 0.00 0.66 0.00 0.00 57.16 58.00 1mho n GLU 46 Cb 0.44 -2.17 -0.07 0.00 0.27 0.00 0.00 31.44 29.91 1mho n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1mho s ILE 47 N -0.07 5.02 0.00 6.31 1.01 -1.26 -4.91 121.20 127.30 1mho s ILE 47 Ca 0.71 1.04 0.00 0.00 0.00 0.00 0.00 60.65 62.40 1mho s ILE 47 Cb -0.75 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 37.83 1mho s ILE 47 CO 0.50 0.06 0.00 0.29 0.00 0.00 0.00 174.94 175.79 1mho n LYS 48 N 5.57 3.26 -3.50 2.79 5.02 -1.26 -5.01 118.16 125.04 1mho n LYS 48 Ca -0.02 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.90 1mho n LYS 48 Cb 0.49 -0.99 -0.06 0.00 -0.02 0.00 0.00 35.03 34.45 1mho n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1mho s GLU 49 N -1.98 4.05 0.28 1.97 0.41 -1.26 -4.96 118.70 117.21 1mho s GLU 49 Ca 0.00 0.30 0.01 0.00 -0.41 0.00 0.00 54.97 54.87 1mho s GLU 49 Cb 0.00 -3.31 0.55 0.00 -1.78 0.00 0.00 34.13 29.58 1mho s GLU 49 CO 0.00 0.47 1.85 0.37 -0.49 0.00 0.00 175.26 177.46 1mho h GLN 50 N 5.64 0.98 -0.10 1.61 5.75 -2.00 -0.39 115.11 126.62 1mho h GLN 50 Ca -0.47 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 57.97 1mho h GLN 50 Cb 1.20 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 29.52 1mho h GLN 50 CO 0.68 0.65 0.05 1.05 -2.65 0.00 0.00 178.83 178.61 1mho h GLU 51 N 1.01 0.13 0.00 1.69 4.11 -1.99 -0.17 114.58 119.36 1mho h GLU 51 Ca 0.48 -0.01 -0.17 0.00 0.07 0.00 0.00 59.36 59.74 1mho h GLU 51 Cb 0.45 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.68 1mho h GLU 51 CO -0.25 0.09 -0.65 0.28 0.07 0.00 0.00 179.01 178.56 1mho h VAL 52 N 0.13 1.41 -0.45 -1.06 2.07 -1.47 -1.88 116.25 115.01 1mho h VAL 52 Ca 0.03 -2.10 0.07 0.00 0.82 0.00 0.00 66.70 65.52 1mho h VAL 52 Cb 0.00 2.58 -0.06 0.00 -1.52 0.00 0.00 31.29 32.29 1mho h VAL 52 CO -0.01 0.61 0.11 0.58 0.02 0.00 0.00 177.57 178.88 1mho h VAL 53 N -0.06 0.78 -0.60 2.57 2.07 -1.21 -0.49 116.25 119.32 1mho h VAL 53 Ca -0.08 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1mho h VAL 53 Cb 1.35 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1mho h VAL 53 CO 0.13 0.05 0.38 0.44 0.02 0.00 0.00 177.57 178.58 1mho h ASP 54 N 0.25 0.64 -0.18 0.57 3.32 -1.01 -1.81 116.42 118.20 1mho h ASP 54 Ca 0.22 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1mho h ASP 54 Cb 0.26 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1mho h ASP 54 CO -0.27 0.45 0.04 0.50 -1.72 0.00 0.00 179.24 178.24 1mho h LYS 55 N 0.76 0.29 -0.49 3.56 1.63 -0.84 -1.34 116.57 120.14 1mho h LYS 55 Ca 0.23 -0.07 0.06 0.00 -0.85 0.00 0.00 60.65 60.02 1mho h LYS 55 Cb -0.03 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.51 1mho h LYS 55 CO -0.08 0.43 0.19 0.28 -3.45 0.00 0.00 179.45 176.83 1mho h VAL 56 N 0.09 0.87 -0.48 2.00 2.07 -0.99 -1.50 116.25 118.31 1mho h VAL 56 Ca 0.05 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1mho h VAL 56 Cb 0.28 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1mho h VAL 56 CO 0.00 0.07 0.21 -0.03 0.02 0.00 0.00 177.57 177.84 1mho h MET 57 N 0.39 0.71 -0.56 1.57 1.85 -1.14 -1.25 114.93 116.50 1mho h MET 57 Ca 0.23 -0.12 0.07 0.00 -0.61 0.00 0.00 59.70 59.26 1mho h MET 57 Cb 0.21 -0.12 -0.06 0.00 0.43 0.00 0.00 31.60 32.07 1mho h MET 57 CO -0.21 0.62 0.25 1.49 -0.40 0.00 0.00 176.91 178.66 1mho h GLU 58 N 0.63 0.46 -0.34 0.39 4.81 -0.90 0.23 114.58 119.87 1mho h GLU 58 Ca 0.16 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1mho h GLU 58 Cb 0.17 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1mho h GLU 58 CO -0.02 0.31 0.20 1.15 -0.73 0.00 0.00 179.01 179.92 1mho h THR 59 N 0.48 1.03 0.00 0.32 2.02 -0.92 -3.25 112.91 112.59 1mho h THR 59 Ca 0.26 -0.14 -0.14 0.00 0.77 0.00 0.00 66.41 67.16 1mho h THR 59 Cb 0.24 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1mho h THR 59 CO -0.22 0.07 -0.67 -0.07 0.37 0.00 0.00 175.52 175.01 1mho h LEU 60 N 0.40 0.00 -8.18 2.58 3.38 -0.79 -3.42 115.31 109.28 1mho h LEU 60 Ca 0.13 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.53 1mho h LEU 60 Cb 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 1mho h LEU 60 CO -0.07 0.67 1.36 -0.62 0.09 0.00 0.00 178.44 179.88 1mho s ASP 61 N -6.55 6.37 0.09 -0.43 2.15 0.03 -4.82 116.67 113.51 1mho s ASP 61 Ca 0.03 -1.15 -0.09 0.00 0.43 0.00 0.00 52.55 51.76 1mho s ASP 61 Cb 0.08 -2.57 -0.20 0.00 -0.30 0.00 0.00 42.92 39.94 1mho s ASP 61 CO 0.77 -1.63 1.21 0.28 -0.17 0.00 0.00 175.17 175.62 1mho h SER 62 N 9.94 0.70 -0.32 -0.34 0.02 -1.86 -3.19 113.55 118.50 1mho h SER 62 Ca 0.07 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1mho h SER 62 Cb 1.02 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1mho h SER 62 CO 1.38 1.41 0.00 -0.90 -1.14 0.00 0.00 176.83 177.59 1mho n ASP 63 N -3.76 1.81 -2.41 3.07 5.68 -1.26 -4.94 116.55 114.74 1mho n ASP 63 Ca -0.10 -1.96 -0.15 0.00 -0.50 0.00 0.00 54.79 52.09 1mho n ASP 63 Cb 0.91 -0.21 -0.01 0.00 -1.14 0.00 0.00 41.12 40.67 1mho n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mho n GLY 64 N 1.06 -0.46 0.92 6.12 0.00 -1.21 -4.87 105.19 106.76 1mho n GLY 64 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1mho n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mho n ASP 65 N -1.84 2.68 0.00 1.61 5.75 -1.26 -4.93 116.55 118.56 1mho n ASP 65 Ca -0.17 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.59 1mho n ASP 65 Cb 0.63 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1mho n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mho n GLY 66 N 1.26 1.19 3.39 6.12 0.00 -1.26 -4.99 105.19 110.90 1mho n GLY 66 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1mho n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mho s GLU 67 N -0.11 1.45 -0.36 1.61 2.02 -1.26 -4.62 118.70 117.43 1mho s GLU 67 Ca 0.00 -1.72 -0.11 0.00 0.02 0.00 0.00 54.97 53.16 1mho s GLU 67 Cb 0.00 -1.01 0.01 0.00 0.10 0.00 0.00 34.13 33.23 1mho s GLU 67 CO 0.00 0.03 0.20 0.00 0.02 0.00 0.00 175.26 175.52 1mho n ASP 69 N 5.02 1.08 0.07 0.00 5.68 -1.26 0.17 116.55 127.31 1mho n ASP 69 Ca -0.12 -1.92 -0.02 0.00 -0.50 0.00 0.00 54.79 52.23 1mho n ASP 69 Cb 0.47 -0.54 0.24 0.00 -1.14 0.00 0.00 41.12 40.15 1mho n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1mho h PHE 70 N -0.60 0.37 -0.47 2.11 3.57 -1.99 -0.67 116.94 119.26 1mho h PHE 70 Ca -0.27 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.10 1mho h PHE 70 Cb 1.00 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1mho h PHE 70 CO 0.00 0.61 0.11 1.96 -2.23 0.00 0.00 178.31 178.76 1mho h GLN 71 N 0.29 0.76 -0.28 1.11 1.08 -1.97 -0.90 115.11 115.21 1mho h GLN 71 Ca 0.04 -0.19 -0.14 0.00 -1.45 0.00 0.00 58.65 56.91 1mho h GLN 71 Cb 0.69 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 1mho h GLN 71 CO 0.05 0.75 -0.40 0.93 -0.95 0.00 0.00 178.83 179.22 1mho h GLU 72 N 0.64 0.65 -0.74 1.46 5.08 -1.82 -1.79 114.58 118.06 1mho h GLU 72 Ca 0.15 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1mho h GLU 72 Cb 0.34 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1mho h GLU 72 CO 0.00 0.94 0.49 0.35 -1.00 0.00 0.00 179.01 179.79 1mho h PHE 73 N 0.54 0.93 -0.51 4.33 3.57 -0.89 -1.65 116.94 123.27 1mho h PHE 73 Ca 0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1mho h PHE 73 Cb 0.92 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 1mho h PHE 73 CO 0.04 0.59 0.23 0.52 -2.23 0.00 0.00 178.31 177.46 1mho h MET 74 N 1.00 0.71 -0.22 1.11 2.86 -0.94 0.14 114.93 119.59 1mho h MET 74 Ca 0.27 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 1mho h MET 74 Cb -0.11 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.40 1mho h MET 74 CO -0.06 0.56 -0.08 0.00 1.06 0.00 0.00 176.91 178.39 1mho h ALA 75 N 1.55 1.46 -0.29 6.32 0.00 -0.96 -1.03 119.26 126.30 1mho h ALA 75 Ca 0.18 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1mho h ALA 75 Cb 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1mho h ALA 75 CO -0.02 0.38 -0.46 0.35 0.00 0.00 0.00 179.25 179.50 1mho h PHE 76 N 0.33 1.02 -0.37 0.00 3.57 -0.06 -2.27 116.94 119.16 1mho h PHE 76 Ca 0.07 -0.35 -0.04 0.00 3.53 0.00 0.00 57.97 61.18 1mho h PHE 76 Cb 0.36 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1mho h PHE 76 CO 0.01 1.16 0.06 0.28 -2.23 0.00 0.00 178.31 177.59 1mho h VAL 77 N 0.59 1.18 -0.72 1.41 2.07 -0.22 -1.87 116.25 118.69 1mho h VAL 77 Ca 0.02 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1mho h VAL 77 Cb 1.07 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1mho h VAL 77 CO 0.11 0.24 0.34 0.00 0.02 0.00 0.00 177.57 178.28 1mho h ALA 78 N 1.53 0.93 -0.50 1.67 0.00 -1.04 0.98 119.26 122.84 1mho h ALA 78 Ca 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1mho h ALA 78 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1mho h ALA 78 CO 0.00 0.50 0.23 0.52 0.00 0.00 0.00 179.25 180.50 1mho h MET 79 N 1.01 0.73 -0.21 0.00 2.07 -0.88 -0.38 114.93 117.28 1mho h MET 79 Ca 0.25 -0.11 -0.04 0.00 -2.07 0.00 0.00 59.70 57.72 1mho h MET 79 Cb 0.13 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 29.72 1mho h MET 79 CO -0.03 0.62 -0.03 0.82 1.07 0.00 0.00 176.91 179.36 1mho h ILE 80 N 0.66 1.27 -0.46 -1.22 2.04 -0.98 -1.03 117.51 117.80 1mho h ILE 80 Ca 0.17 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1mho h ILE 80 Cb 0.14 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1mho h ILE 80 CO -0.02 0.30 0.29 0.74 0.00 0.00 0.00 178.15 179.46 1mho h THR 81 N 0.12 1.13 0.08 -0.27 2.02 -0.70 -1.55 112.91 113.75 1mho h THR 81 Ca 0.05 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1mho h THR 81 Cb 0.46 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1mho h THR 81 CO 0.02 0.13 -0.04 0.74 0.37 0.00 0.00 175.52 176.73 1mho h THR 82 N 0.62 0.97 -0.97 3.16 2.02 -1.03 0.33 112.91 118.00 1mho h THR 82 Ca 0.17 -0.17 0.10 0.00 0.77 0.00 0.00 66.41 67.28 1mho h THR 82 Cb -0.05 1.08 -0.08 0.00 -1.74 0.00 0.00 68.15 67.36 1mho h THR 82 CO -0.03 0.04 0.60 0.00 0.37 0.00 0.00 175.52 176.50 1mho h ALA 83 N 0.73 1.41 -0.20 6.16 0.00 -1.11 -1.32 119.26 124.93 1mho h ALA 83 Ca -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1mho h ALA 83 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1mho h ALA 83 CO 0.02 0.25 0.03 0.00 0.00 0.00 0.00 179.25 179.55 1mho h HIS 85 N 0.13 -0.66 -0.52 0.00 6.17 0.04 -2.09 115.15 118.23 1mho h HIS 85 Ca 0.06 0.05 -0.05 0.00 0.71 0.00 0.00 60.37 61.14 1mho h HIS 85 Cb 0.33 0.34 -0.02 0.00 2.52 0.00 0.00 27.41 30.58 1mho h HIS 85 CO 0.02 -0.33 0.13 0.93 0.71 0.00 0.00 177.93 179.40 1mho h GLU 86 N -0.21 0.78 -0.68 5.26 5.08 -1.17 -2.78 114.58 120.87 1mho h GLU 86 Ca 0.17 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1mho h GLU 86 Cb 0.47 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1mho h GLU 86 CO -0.46 0.70 0.39 0.35 -1.00 0.00 0.00 179.01 178.99 1mho h PHE 87 N 0.76 0.72 -0.02 4.33 3.57 -0.57 -3.51 116.94 122.21 1mho h PHE 87 Ca 0.17 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1mho h PHE 87 Cb 0.27 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1mho h PHE 87 CO 0.02 0.35 0.00 1.19 -2.23 0.00 0.00 178.31 177.64