#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2puo h ASN 8 N 0.00 0.03 0.75 1.20 -0.00 -2.03 -2.95 115.58 112.58 2puo h ASN 8 Ca 0.00 -0.03 -0.07 0.00 -0.00 0.00 0.00 56.30 56.21 2puo h ASN 8 Cb 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 38.30 2puo h ASN 8 CO 0.00 0.88 -0.31 0.11 -0.00 0.00 0.00 177.43 178.10 2puo h LYS 9 N 0.01 0.00 -0.11 6.67 1.57 -2.05 -1.33 116.57 121.33 2puo h LYS 9 Ca -0.01 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.56 2puo h LYS 9 Cb 1.51 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.83 2puo h LYS 9 CO 0.11 0.31 -0.73 1.15 -0.57 0.00 0.00 179.45 179.73 2puo h THR 10 N 0.00 1.31 0.06 -0.16 2.02 -1.95 -1.57 112.91 112.62 2puo h THR 10 Ca -0.00 -1.97 -0.00 0.00 0.77 0.00 0.00 66.41 65.20 2puo h THR 10 Cb 0.77 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 2puo h THR 10 CO 0.04 0.61 -0.03 0.25 0.37 0.00 0.00 175.52 176.76 2puo h LEU 11 N 0.36 -0.07 -1.24 2.58 5.85 -1.33 -0.34 115.31 121.13 2puo h LEU 11 Ca -0.06 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.57 2puo h LEU 11 Cb 1.37 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.37 2puo h LEU 11 CO 0.15 0.10 0.54 0.00 -0.34 0.00 0.00 178.44 178.89 2puo h ALA 12 N 0.69 1.57 -0.30 1.25 0.00 -1.29 0.21 119.26 121.40 2puo h ALA 12 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2puo h ALA 12 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2puo h ALA 12 CO 0.01 0.31 0.05 0.00 0.00 0.00 0.00 179.25 179.63 2puo h ALA 13 N 1.54 0.40 -0.74 0.00 0.00 -0.92 -0.45 119.26 119.09 2puo h ALA 13 Ca 0.35 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2puo h ALA 13 Cb 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2puo h ALA 13 CO -0.12 0.08 0.22 1.98 0.00 0.00 0.00 179.25 181.42 2puo h MET 14 N 0.32 1.15 -0.25 0.00 -1.53 -0.19 -0.15 114.93 114.27 2puo h MET 14 Ca 0.09 -0.25 0.02 0.00 -3.44 0.00 0.00 59.70 56.13 2puo h MET 14 Cb 0.33 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 31.19 2puo h MET 14 CO 0.00 0.98 0.10 -0.22 0.14 0.00 0.00 176.91 177.91 2puo h LYS 15 N 1.10 0.22 -0.68 0.39 3.64 -0.38 -0.66 116.57 120.20 2puo h LYS 15 Ca 0.24 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2puo h LYS 15 Cb 0.31 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2puo h LYS 15 CO -0.01 0.14 0.37 -0.97 -2.27 0.00 0.00 179.45 176.72 2puo h ASN 16 N 0.22 0.85 -0.21 4.20 -0.73 -0.65 -2.08 115.58 117.18 2puo h ASN 16 Ca 0.11 -0.10 0.02 0.00 1.87 0.00 0.00 56.30 58.20 2puo h ASN 16 Cb 0.06 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.41 2puo h ASN 16 CO -0.10 0.70 0.08 0.15 -0.37 0.00 0.00 177.43 177.90 2puo h PHE 17 N 0.93 0.15 -0.18 0.67 3.57 -0.51 -1.38 116.94 120.18 2puo h PHE 17 Ca 0.24 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2puo h PHE 17 Cb 0.04 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2puo h PHE 17 CO -0.00 0.08 0.12 0.00 -2.23 0.00 0.00 178.31 176.27 2puo h ALA 18 N 1.12 0.23 -0.30 2.41 0.00 -0.90 0.82 119.26 122.63 2puo h ALA 18 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2puo h ALA 18 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2puo h ALA 18 CO -0.08 -0.29 0.18 0.93 0.00 0.00 0.00 179.25 179.98 2puo h GLU 19 N 0.24 0.42 -0.46 0.00 5.08 -1.25 -0.76 114.58 117.84 2puo h GLU 19 Ca 0.07 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 2puo h GLU 19 Cb -0.03 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2puo h GLU 19 CO -0.02 0.34 -0.15 1.96 -1.00 0.00 0.00 179.01 180.14 2puo h GLN 20 N 0.38 0.87 -0.46 2.33 4.20 -1.10 -2.19 115.11 119.14 2puo h GLN 20 Ca 0.11 -0.32 -0.13 0.00 0.06 0.00 0.00 58.65 58.37 2puo h GLN 20 Cb 0.03 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2puo h GLN 20 CO -0.02 0.96 -0.21 -0.92 -0.67 0.00 0.00 178.83 177.97 2puo h TYR 21 N 0.77 1.08 -0.19 2.96 3.20 -0.67 -0.67 116.97 123.45 2puo h TYR 21 Ca 0.12 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.74 2puo h TYR 21 Cb 0.67 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2puo h TYR 21 CO 0.04 1.05 0.12 0.00 -1.64 0.00 0.00 178.16 177.73 2puo h ALA 22 N 0.94 0.23 -0.64 1.82 0.00 -1.00 -0.51 119.26 120.11 2puo h ALA 22 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2puo h ALA 22 Cb 0.77 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2puo h ALA 22 CO 0.06 -0.30 0.31 0.87 0.00 0.00 0.00 179.25 180.20 2puo h LYS 23 N 0.24 0.91 -0.68 0.00 1.57 -1.25 0.44 116.57 117.81 2puo h LYS 23 Ca 0.07 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2puo h LYS 23 Cb -0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 2puo h LYS 23 CO -0.03 0.72 0.26 -0.09 -0.57 0.00 0.00 179.45 179.75 2puo h ARG 24 N 0.88 1.00 -0.48 3.15 2.43 -0.80 -2.91 114.38 117.66 2puo h ARG 24 Ca 0.22 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2puo h ARG 24 Cb 0.11 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2puo h ARG 24 CO -0.03 0.82 0.00 0.25 -1.51 0.00 0.00 179.97 179.50 2puo n THR 25 N -4.30 0.63 -3.76 0.20 -2.24 -0.23 -4.95 114.28 99.63 2puo n THR 25 Ca 0.06 -0.76 -0.26 0.00 -2.27 0.00 0.00 64.05 60.83 2puo n THR 25 Cb 0.18 0.68 0.04 0.00 -2.10 0.00 0.00 70.33 69.14 2puo n THR 25 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2puo n ASP 26 N 1.33 -4.01 -4.64 3.42 2.03 -0.25 -4.99 116.55 109.44 2puo n ASP 26 Ca 0.20 -0.73 -0.26 0.00 0.52 0.00 0.00 54.79 54.53 2puo n ASP 26 Cb 0.55 -4.27 -0.09 0.00 -0.72 0.00 0.00 41.12 36.59 2puo n ASP 26 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2puo s THR 27 N -3.40 2.34 0.12 5.18 -4.23 -0.02 -4.56 115.64 111.07 2puo s THR 27 Ca 0.43 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 59.04 2puo s THR 27 Cb -0.21 -2.87 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 2puo s THR 27 CO 0.80 -0.10 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.36 2puo s TYR 28 N -2.60 1.18 0.66 3.99 2.02 0.14 -4.40 117.35 118.35 2puo s TYR 28 Ca 0.36 -0.69 -0.11 0.00 -0.37 0.00 0.00 57.07 56.26 2puo s TYR 28 Cb 0.04 -0.62 -0.01 0.00 -0.40 0.00 0.00 41.96 40.96 2puo s TYR 28 CO 0.19 0.05 1.05 -0.06 -1.57 0.00 0.00 175.55 175.21 2puo s PHE 29 N -2.79 3.25 0.48 2.71 0.08 -0.50 -0.69 117.98 120.53 2puo s PHE 29 Ca 0.11 1.39 -0.24 0.00 0.12 0.00 0.00 56.93 58.31 2puo s PHE 29 Cb -0.01 -2.84 -0.07 0.00 -0.57 0.00 0.00 43.02 39.53 2puo s PHE 29 CO 0.00 -1.06 1.37 0.00 -0.10 0.00 0.00 175.22 175.44 2puo h SER 31 N 1.94 0.00 -3.29 0.00 4.64 -1.27 -3.23 113.55 112.34 2puo h SER 31 Ca -0.50 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.07 2puo h SER 31 Cb 1.29 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.15 2puo h SER 31 CO 0.59 0.00 0.16 -0.62 -0.87 0.00 0.00 176.83 176.09 2puo s ASP 32 N -6.49 6.53 0.01 4.97 -1.08 -1.26 -4.91 116.67 114.43 2puo s ASP 32 Ca -0.05 -2.18 0.04 0.00 -0.52 0.00 0.00 52.55 49.83 2puo s ASP 32 Cb 0.17 -2.26 0.16 0.00 -1.46 0.00 0.00 42.92 39.53 2puo s ASP 32 CO 0.64 -0.81 1.11 0.18 0.52 0.00 0.00 175.17 176.81 2puo n LEU 33 N 5.07 0.02 0.14 -1.34 4.77 -1.22 -1.51 117.00 122.93 2puo n LEU 33 Ca 0.06 0.51 0.01 0.00 -0.03 0.00 0.00 56.01 56.55 2puo n LEU 33 Cb 0.45 -0.51 0.30 0.00 -2.33 0.00 0.00 43.42 41.33 2puo n LEU 33 CO 0.45 -0.46 0.70 0.77 -1.33 0.00 0.00 177.39 177.51 2puo h SER 34 N 0.00 0.11 0.03 -1.43 4.64 -1.90 0.20 113.55 115.19 2puo h SER 34 Ca 0.00 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2puo h SER 34 Cb 0.05 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2puo h SER 34 CO 0.00 0.48 -0.01 0.58 -0.87 0.00 0.00 176.83 177.01 2puo h VAL 35 N 0.10 1.30 -0.43 0.95 2.07 -1.65 -2.18 116.25 116.40 2puo h VAL 35 Ca 0.01 -1.03 0.08 0.00 0.82 0.00 0.00 66.70 66.58 2puo h VAL 35 Cb 0.71 1.98 -0.07 0.00 -1.52 0.00 0.00 31.29 32.40 2puo h VAL 35 CO 0.05 0.26 0.02 0.74 0.02 0.00 0.00 177.57 178.67 2puo h THR 36 N -0.48 0.69 -0.66 2.57 2.02 -1.54 -1.84 112.91 113.68 2puo h THR 36 Ca -0.00 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.18 2puo h THR 36 Cb 0.45 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 2puo h THR 36 CO 0.01 0.03 0.38 0.00 0.37 0.00 0.00 175.52 176.30 2puo h ALA 37 N 1.37 0.87 -0.63 6.16 0.00 -0.59 -1.33 119.26 125.10 2puo h ALA 37 Ca 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2puo h ALA 37 Cb 0.30 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2puo h ALA 37 CO -0.34 0.07 0.34 0.28 0.00 0.00 0.00 179.25 179.61 2puo h VAL 38 N 0.71 1.21 -0.20 0.00 2.07 -0.69 -1.58 116.25 117.76 2puo h VAL 38 Ca 0.29 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 2puo h VAL 38 Cb 0.14 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2puo h VAL 38 CO -0.16 0.23 -0.02 0.58 0.02 0.00 0.00 177.57 178.22 2puo h VAL 39 N 0.87 1.27 -0.50 2.57 2.07 -0.94 -1.60 116.25 119.97 2puo h VAL 39 Ca 0.22 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.83 2puo h VAL 39 Cb 0.06 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2puo h VAL 39 CO -0.03 0.28 0.30 0.40 0.02 0.00 0.00 177.57 178.54 2puo h ILE 40 N 0.11 1.04 -0.72 4.57 2.04 -1.14 0.12 117.51 123.53 2puo h ILE 40 Ca 0.06 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 2puo h ILE 40 Cb 0.43 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2puo h ILE 40 CO 0.01 0.11 0.27 -0.08 0.00 0.00 0.00 178.15 178.46 2puo h GLU 41 N 0.59 1.09 -0.67 2.37 4.81 -1.27 -0.76 114.58 120.76 2puo h GLU 41 Ca 0.20 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2puo h GLU 41 Cb 0.03 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 2puo h GLU 41 CO -0.10 0.91 0.41 0.78 -0.73 0.00 0.00 179.01 180.29 2puo h GLY 42 N 1.05 0.96 0.98 1.92 0.00 -0.53 -0.14 103.07 107.30 2puo h GLY 42 Ca 0.24 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2puo h GLY 42 CO -0.02 0.38 0.20 1.41 0.00 0.00 0.00 176.54 178.51 2puo h LEU 43 N 0.91 0.40 -0.63 3.11 3.38 -0.33 -1.82 115.31 120.33 2puo h LEU 43 Ca 0.24 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.19 2puo h LEU 43 Cb -0.05 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2puo h LEU 43 CO -0.05 0.34 0.38 0.00 0.09 0.00 0.00 178.44 179.21 2puo h ALA 44 N 1.08 0.82 -0.42 1.53 0.00 -0.71 -0.72 119.26 120.84 2puo h ALA 44 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2puo h ALA 44 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2puo h ALA 44 CO -0.02 0.12 0.24 -0.09 0.00 0.00 0.00 179.25 179.50 2puo h ARG 45 N 0.75 0.58 -0.52 0.00 2.43 -0.73 -1.20 114.38 115.68 2puo h ARG 45 Ca 0.25 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 2puo h ARG 45 Cb 0.04 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2puo h ARG 45 CO -0.11 0.45 0.09 0.45 -1.51 0.00 0.00 179.97 179.34 2puo h HIS 46 N 0.55 0.86 -0.49 2.20 3.86 -0.95 -1.27 115.15 119.91 2puo h HIS 46 Ca 0.15 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 2puo h HIS 46 Cb 0.03 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 2puo h HIS 46 CO -0.03 0.74 0.01 -0.22 0.86 0.00 0.00 177.93 179.29 2puo h LYS 47 N 0.79 0.81 -0.36 2.45 3.64 -0.68 0.45 116.57 123.66 2puo h LYS 47 Ca 0.17 -0.22 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 2puo h LYS 47 Cb 0.35 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2puo h LYS 47 CO 0.01 0.81 -0.32 0.93 -2.27 0.00 0.00 179.45 178.60 2puo h GLU 48 N 0.76 0.80 0.10 1.90 5.08 -0.71 -0.59 114.58 121.92 2puo h GLU 48 Ca 0.15 -0.38 -0.29 0.00 -1.00 0.00 0.00 59.36 57.84 2puo h GLU 48 Cb 0.45 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2puo h GLU 48 CO 0.02 1.01 -1.50 0.93 -1.00 0.00 0.00 179.01 178.47 2puo h GLU 49 N 0.67 0.21 0.00 2.33 5.08 -1.00 -3.40 114.58 118.47 2puo h GLU 49 Ca 0.07 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2puo h GLU 49 Cb 0.87 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2puo h GLU 49 CO 0.08 1.17 -1.67 1.28 -1.00 0.00 0.00 179.01 178.86 2puo n LEU 50 N -3.91 0.28 0.00 1.33 4.32 0.15 -4.98 117.00 114.19 2puo n LEU 50 Ca -0.27 0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 2puo n LEU 50 Cb 0.89 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.67 2puo n LEU 50 CO 0.38 -0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.11 2puo n GLY 51 N 1.24 1.95 3.14 -0.72 0.00 -0.23 -5.01 105.19 105.57 2puo n GLY 51 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 2puo n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2puo s SER 52 N -1.60 1.37 -1.39 1.61 0.01 -1.25 -4.89 113.70 107.55 2puo s SER 52 Ca 0.00 -0.67 -0.11 0.00 1.31 0.00 0.00 55.95 56.48 2puo s SER 52 Cb 0.00 -0.00 -0.05 0.00 0.21 0.00 0.00 66.02 66.17 2puo s SER 52 CO 0.00 -0.18 2.53 -0.81 0.41 0.00 0.00 173.24 175.19 2puo n PRO 53 N 1.07 3.02 -1.73 12.44 -0.04 -1.26 -2.68 135.00 145.81 2puo n PRO 53 Ca -0.20 -2.16 -0.42 0.00 -0.04 0.00 0.00 63.50 60.68 2puo n PRO 53 Cb 0.56 -2.89 -0.02 0.00 -0.04 0.00 0.00 33.50 31.11 2puo n PRO 53 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2puo n LEU 54 N 4.73 4.04 -4.62 1.53 7.94 -1.26 -1.21 117.00 128.15 2puo n LEU 54 Ca 0.63 1.16 -0.52 0.00 -1.11 0.00 0.00 56.01 56.17 2puo n LEU 54 Cb 0.27 -1.55 -0.06 0.00 0.53 0.00 0.00 43.42 42.62 2puo n LEU 54 CO 0.86 -0.06 1.01 0.00 -1.11 0.00 0.00 177.39 178.09 2puo n PRO 56 N 3.14 0.18 -1.33 0.00 -0.04 -1.26 -4.14 135.00 131.55 2puo n PRO 56 Ca 0.19 0.11 -0.34 0.00 -0.04 0.00 0.00 63.50 63.42 2puo n PRO 56 Cb 0.20 -1.67 0.08 0.00 -0.04 0.00 0.00 33.50 32.07 2puo n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2puo s ARG 58 N -3.80 0.69 -0.14 0.00 0.52 -1.26 -4.95 118.95 110.01 2puo s ARG 58 Ca 0.65 -0.97 -0.05 0.00 -0.52 0.00 0.00 55.73 54.84 2puo s ARG 58 Cb 0.51 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 36.21 2puo s ARG 58 CO -0.00 -0.18 0.04 -1.01 0.02 0.00 0.00 175.30 174.17 2puo s HIS 59 N -3.46 3.24 0.06 -0.53 3.76 -1.26 -5.08 115.29 112.02 2puo s HIS 59 Ca 0.02 0.13 0.08 0.00 -0.15 0.00 0.00 55.06 55.14 2puo s HIS 59 Cb 0.04 -1.95 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 2puo s HIS 59 CO -0.09 0.32 -0.21 0.71 -0.85 0.00 0.00 174.74 174.62 2puo s TYR 60 N -0.24 1.83 -0.16 1.40 2.02 -1.26 -5.01 117.35 115.92 2puo s TYR 60 Ca 0.07 -0.39 0.17 0.00 -0.37 0.00 0.00 57.07 56.56 2puo s TYR 60 Cb -0.12 -1.07 -0.03 0.00 -0.40 0.00 0.00 41.96 40.35 2puo s TYR 60 CO 0.02 0.13 1.11 0.93 -1.57 0.00 0.00 175.55 176.17 2puo h GLU 61 N 4.64 0.00 -1.54 -0.62 5.08 -2.05 -3.42 114.58 116.67 2puo h GLU 61 Ca -0.44 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.65 2puo h GLU 61 Cb 1.16 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.16 2puo h GLU 61 CO 0.43 0.32 -0.62 0.34 -1.00 0.00 0.00 179.01 178.47 2puo s ASP 62 N -6.00 -0.12 0.37 1.42 -1.08 -1.26 -5.02 116.67 104.98 2puo s ASP 62 Ca 0.00 -1.64 0.08 0.00 -0.52 0.00 0.00 52.55 50.47 2puo s ASP 62 Cb 0.08 1.10 0.80 0.00 -1.46 0.00 0.00 42.92 43.44 2puo s ASP 62 CO 0.78 -0.17 1.92 0.11 0.52 0.00 0.00 175.17 178.33 2puo h LYS 63 N 6.33 0.68 -0.44 4.34 1.57 -2.00 -1.30 116.57 125.74 2puo h LYS 63 Ca 0.08 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 2puo h LYS 63 Cb 1.08 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 2puo h LYS 63 CO 0.15 0.45 -0.08 0.93 -0.57 0.00 0.00 179.45 180.33 2puo h GLU 64 N 0.70 0.78 -0.08 3.15 3.07 -1.98 -1.39 114.58 118.83 2puo h GLU 64 Ca 0.36 -0.25 -0.18 0.00 -0.50 0.00 0.00 59.36 58.79 2puo h GLU 64 Cb 0.48 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 2puo h GLU 64 CO -0.14 0.84 -0.73 0.00 -1.40 0.00 0.00 179.01 177.58 2puo h ALA 65 N 1.20 0.59 -0.55 3.43 0.00 -1.79 -2.68 119.26 119.46 2puo h ALA 65 Ca 0.13 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2puo h ALA 65 Cb 0.55 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2puo h ALA 65 CO 0.03 0.76 0.24 0.93 0.00 0.00 0.00 179.25 181.22 2puo h GLU 66 N 0.27 0.81 -0.34 0.00 4.39 -0.96 -0.30 114.58 118.46 2puo h GLU 66 Ca -0.03 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.46 2puo h GLU 66 Cb 1.31 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 2puo h GLU 66 CO 0.13 0.69 -0.11 0.28 -1.16 0.00 0.00 179.01 178.83 2puo h VAL 67 N 0.75 1.24 -0.33 3.13 2.07 -1.22 -0.32 116.25 121.57 2puo h VAL 67 Ca 0.19 -1.05 -0.16 0.00 0.82 0.00 0.00 66.70 66.50 2puo h VAL 67 Cb 0.16 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2puo h VAL 67 CO -0.02 0.35 -0.43 0.11 0.02 0.00 0.00 177.57 177.60 2puo h LYS 68 N 0.54 0.84 -0.29 1.57 1.79 -1.09 -3.06 116.57 116.86 2puo h LYS 68 Ca 0.10 -0.46 -0.15 0.00 -2.18 0.00 0.00 60.65 57.96 2puo h LYS 68 Cb 0.51 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2puo h LYS 68 CO 0.03 1.10 -0.43 -0.97 -1.08 0.00 0.00 179.45 178.10 2puo h ASN 69 N 0.67 0.79 0.00 0.86 -0.73 -0.81 -3.48 115.58 112.89 2puo h ASN 69 Ca 0.05 -0.37 0.00 0.00 1.87 0.00 0.00 56.30 57.85 2puo h ASN 69 Cb 1.01 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 39.38 2puo h ASN 69 CO 0.10 1.11 0.00 0.35 -0.37 0.00 0.00 177.43 178.62 2puo n THR 70 N -4.03 0.00 -0.33 -3.57 -2.24 -0.15 -4.93 114.28 99.03 2puo n THR 70 Ca -0.02 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.83 2puo n THR 70 Cb 0.55 -0.01 0.24 0.00 -2.10 0.00 0.00 70.33 69.01 2puo n THR 70 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2puo h PHE 71 N 0.00 0.96 -0.67 4.78 3.04 -1.90 -2.14 116.94 121.01 2puo h PHE 71 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2puo h PHE 71 Cb 0.00 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.22 2puo h PHE 71 CO 0.00 0.31 0.00 0.91 -2.02 0.00 0.00 178.31 177.51 2puo n TRP 72 N -4.75 1.03 -2.60 0.41 5.03 -1.26 -2.09 117.44 113.21 2puo n TRP 72 Ca 0.18 -0.48 -0.43 0.00 3.03 0.00 0.00 57.50 59.80 2puo n TRP 72 Cb 0.41 -0.05 -0.02 0.00 -1.03 0.00 0.00 31.31 30.61 2puo n TRP 72 CO 0.00 0.00 0.00 -0.80 -0.03 0.00 0.00 177.69 176.86 2puo s ASN 73 N -0.97 7.14 0.18 -0.99 0.01 -0.81 -0.76 114.94 118.75 2puo s ASN 73 Ca 0.47 1.59 -0.31 0.00 -0.71 0.00 0.00 52.86 53.89 2puo s ASN 73 Cb 0.26 -2.55 -0.10 0.00 0.41 0.00 0.00 41.25 39.26 2puo s ASN 73 CO 0.30 -0.55 1.55 0.00 -1.51 0.00 0.00 177.10 176.89 2puo s PRO 75 N 0.85 4.49 1.03 0.00 0.04 -1.26 -4.82 135.00 135.32 2puo s PRO 75 Ca 0.68 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 63.08 2puo s PRO 75 Cb -0.44 -3.48 0.21 0.00 0.04 0.00 0.00 34.50 30.83 2puo s PRO 75 CO 0.34 -0.19 1.08 0.00 0.04 0.00 0.00 177.00 178.27 2puo h VAL 77 N -2.04 0.97 0.00 0.00 2.07 -1.70 0.28 116.25 115.83 2puo h VAL 77 Ca -0.56 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 2puo h VAL 77 Cb 1.33 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2puo h VAL 77 CO 0.56 0.12 -0.17 -0.65 0.02 0.00 0.00 177.57 177.45 2puo h PRO 78 N 0.64 0.00 0.08 1.57 0.11 -1.85 0.10 132.00 132.66 2puo h PRO 78 Ca 0.28 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.28 2puo h PRO 78 Cb 0.16 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.28 2puo h PRO 78 CO -0.17 0.17 -0.47 1.98 -0.21 0.00 0.00 178.00 179.29 2puo h MET 79 N 0.00 0.18 -0.57 1.05 1.85 -1.13 0.13 114.93 116.44 2puo h MET 79 Ca -0.00 -0.30 -0.04 0.00 -0.61 0.00 0.00 59.70 58.75 2puo h MET 79 Cb 0.31 0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.42 2puo h MET 79 CO 0.02 1.14 0.18 0.00 -0.40 0.00 0.00 176.91 177.85 2puo h ARG 80 N -0.62 0.85 0.06 0.39 3.08 -0.76 -0.53 114.38 116.85 2puo h ARG 80 Ca -0.08 -0.15 -0.36 0.00 0.07 0.00 0.00 59.98 59.46 2puo h ARG 80 Cb 1.37 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 2puo h ARG 80 CO 0.09 0.73 -2.04 0.39 -1.07 0.00 0.00 179.97 178.07 2puo n GLU 81 N -4.30 0.68 -0.05 0.04 1.02 0.34 -4.64 120.64 113.73 2puo n GLU 81 Ca 0.04 0.30 0.03 0.00 -0.02 0.00 0.00 57.16 57.51 2puo n GLU 81 Cb 0.20 -1.65 0.05 0.00 -0.02 0.00 0.00 31.44 30.02 2puo n GLU 81 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2puo n ARG 82 N -3.70 1.55 -3.13 3.49 1.74 -0.28 -4.98 116.66 111.35 2puo n ARG 82 Ca -0.38 -1.36 -0.23 0.00 -0.77 0.00 0.00 57.85 55.11 2puo n ARG 82 Cb 0.95 -1.12 0.02 0.00 -1.02 0.00 0.00 32.46 31.28 2puo n ARG 82 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2puo n LYS 83 N 0.15 -4.32 -3.59 5.56 5.02 -0.21 -4.92 118.16 115.86 2puo n LYS 83 Ca 0.05 0.75 -0.39 0.00 -2.02 0.00 0.00 58.31 56.69 2puo n LYS 83 Cb 0.25 -5.55 -0.11 0.00 -0.02 0.00 0.00 35.03 29.60 2puo n LYS 83 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2puo s GLU 84 N -5.80 3.42 -0.37 1.97 2.02 -0.13 -4.86 118.70 114.96 2puo s GLU 84 Ca 0.33 -0.68 0.04 0.00 0.02 0.00 0.00 54.97 54.68 2puo s GLU 84 Cb -0.16 -3.69 0.10 0.00 0.10 0.00 0.00 34.13 30.48 2puo s GLU 84 CO 0.41 -0.43 0.08 0.00 0.02 0.00 0.00 175.26 175.34 2puo h HIS 86 N 7.47 0.78 0.00 0.00 2.76 -1.96 -2.21 115.15 121.98 2puo h HIS 86 Ca -0.05 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2puo h HIS 86 Cb 1.00 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.71 2puo h HIS 86 CO 0.47 0.41 0.00 0.00 -1.30 0.00 0.00 177.93 177.51 2puo n MET 88 N -2.18 -2.65 -0.11 0.00 2.81 -0.83 -4.94 117.12 109.22 2puo n MET 88 Ca 0.02 0.46 -0.21 0.00 -1.81 0.00 0.00 57.70 56.16 2puo n MET 88 Cb 0.23 -4.40 -0.10 0.00 -0.71 0.00 0.00 33.22 28.25 2puo n MET 88 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2puo n LEU 89 N -2.24 1.87 -4.28 4.03 7.94 -1.26 -4.33 117.00 118.73 2puo n LEU 89 Ca -0.05 0.43 -0.38 0.00 -1.11 0.00 0.00 56.01 54.89 2puo n LEU 89 Cb 0.56 -0.93 -0.12 0.00 0.53 0.00 0.00 43.42 43.46 2puo n LEU 89 CO 0.25 0.24 -0.25 -0.36 -1.11 0.00 0.00 177.39 176.16 2puo s PHE 90 N -2.39 3.25 0.00 1.96 0.08 -1.26 -4.18 117.98 115.44 2puo s PHE 90 Ca -0.29 -1.37 0.06 0.00 0.12 0.00 0.00 56.93 55.44 2puo s PHE 90 Cb 0.07 -2.29 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 2puo s PHE 90 CO 0.53 -0.72 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.26 2puo s LEU 91 N 1.42 2.63 0.66 -0.37 1.43 0.14 -4.48 118.68 120.10 2puo s LEU 91 Ca -0.01 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.62 2puo s LEU 91 Cb -0.19 -1.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 2puo s LEU 91 CO 0.03 0.29 1.07 0.42 0.23 0.00 0.00 176.35 178.39 2puo s THR 92 N -0.84 3.71 0.46 5.49 -4.23 -1.26 0.27 115.64 119.24 2puo s THR 92 Ca 0.13 0.70 0.19 0.00 -1.18 0.00 0.00 61.69 61.53 2puo s THR 92 Cb -0.11 -3.27 0.38 0.00 1.34 0.00 0.00 72.50 70.84 2puo s THR 92 CO 0.03 -0.59 1.93 -0.65 -0.54 0.00 0.00 174.62 174.80 2puo h PRO 93 N -0.17 0.28 -0.00 3.99 0.11 -1.96 -1.47 132.00 132.77 2puo h PRO 93 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2puo h PRO 93 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2puo h PRO 93 CO 0.56 0.18 -0.03 -0.40 -0.21 0.00 0.00 178.00 178.10 2puo n ASP 94 N -4.44 0.20 -4.71 -2.05 5.75 -1.26 -4.84 116.55 105.20 2puo n ASP 94 Ca 0.14 -0.60 -0.42 0.00 -0.01 0.00 0.00 54.79 53.90 2puo n ASP 94 Cb 0.60 -0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.54 2puo n ASP 94 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2puo s ASN 95 N -2.33 7.05 0.65 -1.12 3.84 -0.56 -4.90 114.94 117.57 2puo s ASN 95 Ca 0.35 2.00 0.35 0.00 0.21 0.00 0.00 52.86 55.78 2puo s ASN 95 Cb 0.21 -2.57 1.94 0.00 -0.55 0.00 0.00 41.25 40.27 2puo s ASN 95 CO 0.43 -0.51 2.12 0.44 -2.79 0.00 0.00 177.10 176.79 2puo h ASP 96 N 6.97 0.00 -0.15 -4.21 3.32 -1.89 -1.63 116.42 118.84 2puo h ASP 96 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2puo h ASP 96 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2puo h ASP 96 CO 0.83 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.84 2puo n PHE 97 N -3.12 0.17 -2.74 4.55 3.72 -1.26 -4.96 117.46 113.81 2puo n PHE 97 Ca -0.02 -0.09 -0.40 0.00 -0.05 0.00 0.00 57.45 56.89 2puo n PHE 97 Cb 0.26 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.74 2puo n PHE 97 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2puo s ALA 98 N -1.69 3.32 0.00 4.37 0.00 -0.61 -0.92 121.76 126.23 2puo s ALA 98 Ca 0.29 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.87 2puo s ALA 98 Cb 0.19 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2puo s ALA 98 CO 0.28 0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.62 2puo n GLY 99 N 1.61 3.06 0.83 0.00 0.00 -0.36 -4.53 105.19 105.81 2puo n GLY 99 Ca -0.01 -2.04 0.08 0.00 0.00 0.00 0.00 46.02 44.05 2puo n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2puo n ASP 100 N -0.05 3.04 -4.89 1.61 3.85 -1.26 -4.71 116.55 114.15 2puo n ASP 100 Ca 0.00 -1.90 -0.34 0.00 -0.71 0.00 0.00 54.79 51.84 2puo n ASP 100 Cb 0.00 -0.24 -0.05 0.00 -1.35 0.00 0.00 41.12 39.48 2puo n ASP 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2puo s ALA 101 N -1.09 3.82 -0.03 2.12 0.00 -1.26 -4.94 121.76 120.38 2puo s ALA 101 Ca 0.29 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.75 2puo s ALA 101 Cb 0.16 -2.10 0.07 0.00 0.00 0.00 0.00 23.12 21.25 2puo s ALA 101 CO 0.22 0.65 0.91 1.04 0.00 0.00 0.00 175.76 178.58 2puo n GLN 102 N 0.80 0.85 -3.81 0.00 6.02 -1.26 -1.41 117.38 118.56 2puo n GLN 102 Ca -0.08 -1.35 -0.13 0.00 -0.01 0.00 0.00 57.00 55.43 2puo n GLN 102 Cb 0.52 -0.83 -0.13 0.00 1.02 0.00 0.00 30.24 30.82 2puo n GLN 102 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2puo s ASP 103 N -1.21 -0.12 -0.00 1.08 1.11 -1.26 -4.48 116.67 111.79 2puo s ASP 103 Ca 0.08 0.25 0.06 0.00 0.18 0.00 0.00 52.55 53.11 2puo s ASP 103 Cb 0.07 0.23 -0.02 0.00 1.07 0.00 0.00 42.92 44.27 2puo s ASP 103 CO 0.01 -0.06 -0.18 -0.51 1.18 0.00 0.00 175.17 175.61 2puo s ILE 104 N 0.27 1.39 0.34 0.77 2.07 -1.26 -5.08 121.20 119.70 2puo s ILE 104 Ca -0.02 -0.81 -0.29 0.00 -1.41 0.00 0.00 60.65 58.12 2puo s ILE 104 Cb -0.03 -1.17 -0.11 0.00 0.13 0.00 0.00 42.46 41.28 2puo s ILE 104 CO -0.01 0.34 1.45 -2.84 -1.91 0.00 0.00 174.94 171.97 2puo s PRO 105 N -0.54 4.20 0.38 3.50 0.02 -1.26 -4.91 135.00 136.38 2puo s PRO 105 Ca 0.06 2.44 0.08 0.00 0.02 0.00 0.00 61.00 63.61 2puo s PRO 105 Cb -0.07 -3.02 0.75 0.00 0.02 0.00 0.00 34.50 32.18 2puo s PRO 105 CO -0.00 -0.44 1.91 1.98 -0.33 0.00 0.00 177.00 180.12 2puo h MET 106 N 3.62 0.30 -0.69 5.54 4.05 -2.00 -2.25 114.93 123.50 2puo h MET 106 Ca -0.49 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 58.81 2puo h MET 106 Cb 1.23 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.96 2puo h MET 106 CO 0.68 0.41 0.24 1.05 0.23 0.00 0.00 176.91 179.53 2puo h GLU 107 N 0.29 1.04 -0.68 0.39 4.11 -1.98 -1.39 114.58 116.36 2puo h GLU 107 Ca 0.06 -0.20 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2puo h GLU 107 Cb 0.36 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2puo h GLU 107 CO 0.02 0.87 0.43 1.15 0.07 0.00 0.00 179.01 181.55 2puo h THR 108 N 1.01 1.18 -0.63 -1.06 2.02 -1.79 0.73 112.91 114.38 2puo h THR 108 Ca 0.23 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 2puo h THR 108 Cb 0.24 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 2puo h THR 108 CO -0.01 0.18 0.15 -0.07 0.37 0.00 0.00 175.52 176.14 2puo h LEU 109 N 0.93 0.96 -1.06 2.58 3.38 -1.28 -2.71 115.31 118.10 2puo h LEU 109 Ca 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2puo h LEU 109 Cb -0.07 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.42 2puo h LEU 109 CO -0.05 0.95 -0.13 -0.33 0.09 0.00 0.00 178.44 178.97 2puo h GLU 110 N 0.93 0.00 0.00 1.13 5.08 -0.72 -2.24 114.58 118.76 2puo h GLU 110 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2puo h GLU 110 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2puo h GLU 110 CO 0.00 0.13 0.00 0.93 -1.00 0.00 0.00 179.01 179.07 2puo h GLU 111 N 0.00 0.00 0.08 2.33 5.08 -0.53 -2.48 114.58 119.06 2puo h GLU 111 Ca -0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 2puo h GLU 111 Cb 0.72 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 2puo h GLU 111 CO 0.02 0.00 -2.15 0.28 -1.00 0.00 0.00 179.01 176.15 2puo n VAL 112 N -2.41 1.69 -0.33 3.13 0.31 -0.88 -4.26 118.33 115.58 2puo n VAL 112 Ca 0.02 -0.63 0.08 0.00 -0.01 0.00 0.00 64.34 63.80 2puo n VAL 112 Cb 0.24 -1.62 0.25 0.00 -0.91 0.00 0.00 33.84 31.79 2puo n VAL 112 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2puo h LYS 113 N 0.05 0.78 0.00 5.55 1.79 -1.07 0.11 116.57 123.77 2puo h LYS 113 Ca -0.47 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 2puo h LYS 113 Cb 1.99 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 32.47 2puo h LYS 113 CO 0.03 0.51 0.00 0.00 -1.08 0.00 0.00 179.45 178.92 2puo h ALA 114 N 1.56 1.00 0.00 3.86 0.00 -1.67 -3.51 119.26 120.49 2puo h ALA 114 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2puo h ALA 114 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2puo h ALA 114 CO -0.32 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.80