#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psr s ASN 2 N 0.00 2.01 0.96 4.04 0.01 -1.26 -5.11 114.94 115.58 1psr s ASN 2 Ca 0.00 -0.41 -0.12 0.00 -0.71 0.00 0.00 52.86 51.62 1psr s ASN 2 Cb 0.00 -0.18 0.17 0.00 0.41 0.00 0.00 41.25 41.65 1psr s ASN 2 CO 0.00 0.14 1.12 0.42 -1.51 0.00 0.00 177.10 177.27 1psr s THR 3 N -0.64 1.99 0.22 1.60 -4.23 -1.26 -4.82 115.64 108.50 1psr s THR 3 Ca 0.05 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.47 1psr s THR 3 Cb -0.07 -2.64 0.17 0.00 1.34 0.00 0.00 72.50 71.30 1psr s THR 3 CO 0.01 0.00 1.86 -0.61 -0.54 0.00 0.00 174.62 175.34 1psr h GLN 4 N -1.71 0.94 -0.52 3.99 4.15 -2.01 0.07 115.11 120.03 1psr h GLN 4 Ca -0.52 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 58.79 1psr h GLN 4 Cb 1.33 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.79 1psr h GLN 4 CO 0.60 0.62 0.15 0.00 -1.93 0.00 0.00 178.83 178.27 1psr h ALA 5 N 1.32 0.68 -0.23 3.38 0.00 -1.99 0.08 119.26 122.51 1psr h ALA 5 Ca 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1psr h ALA 5 Cb -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1psr h ALA 5 CO -0.11 0.36 0.11 0.93 0.00 0.00 0.00 179.25 180.54 1psr h GLU 6 N 0.72 0.33 -0.81 0.00 5.08 -1.84 -1.77 114.58 116.29 1psr h GLU 6 Ca 0.17 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1psr h GLU 6 Cb 0.30 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1psr h GLU 6 CO -0.00 0.34 0.49 -0.09 -1.00 0.00 0.00 179.01 178.75 1psr h ARG 7 N 0.23 0.87 -0.33 2.33 2.43 -0.82 -0.31 114.38 118.80 1psr h ARG 7 Ca 0.08 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1psr h ARG 7 Cb 0.13 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1psr h ARG 7 CO -0.01 0.58 0.20 0.77 -1.51 0.00 0.00 179.97 180.00 1psr h SER 8 N 0.90 0.39 -0.26 -3.80 0.02 -0.71 0.10 113.55 110.19 1psr h SER 8 Ca 0.36 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 1psr h SER 8 Cb 0.18 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1psr h SER 8 CO -0.18 0.31 0.14 0.40 -1.14 0.00 0.00 176.83 176.36 1psr h ILE 9 N 0.43 1.13 -0.60 3.27 1.08 -0.90 -1.25 117.51 120.67 1psr h ILE 9 Ca 0.12 -0.35 0.07 0.00 -0.39 0.00 0.00 64.86 64.30 1psr h ILE 9 Cb -0.01 0.89 -0.06 0.00 -3.07 0.00 0.00 36.82 34.58 1psr h ILE 9 CO -0.02 0.13 0.28 0.40 -0.69 0.00 0.00 178.15 178.25 1psr h ILE 10 N 0.30 0.89 -0.29 -0.67 2.04 -0.90 -1.66 117.51 117.22 1psr h ILE 10 Ca 0.09 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1psr h ILE 10 Cb 0.08 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1psr h ILE 10 CO -0.01 0.10 -0.07 1.23 0.00 0.00 0.00 178.15 179.39 1psr h GLY 11 N 0.52 0.49 1.41 5.37 0.00 -0.57 -1.85 103.07 108.44 1psr h GLY 11 Ca 0.28 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 1psr h GLY 11 CO -0.22 0.29 -0.01 1.98 0.00 0.00 0.00 176.54 178.58 1psr h MET 12 N 0.43 0.73 -0.70 4.80 -1.53 -0.33 -0.14 114.93 118.19 1psr h MET 12 Ca 0.09 -0.19 -0.07 0.00 -3.44 0.00 0.00 59.70 56.09 1psr h MET 12 Cb 0.39 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 31.33 1psr h MET 12 CO 0.02 0.75 0.18 0.82 0.14 0.00 0.00 176.91 178.81 1psr h ILE 13 N 0.68 1.26 -0.59 1.77 5.03 -0.71 -1.45 117.51 123.50 1psr h ILE 13 Ca 0.14 -0.96 -0.06 0.00 -0.12 0.00 0.00 64.86 63.86 1psr h ILE 13 Cb 0.43 0.54 -0.02 0.00 -3.03 0.00 0.00 36.82 34.74 1psr h ILE 13 CO 0.02 0.37 0.15 -0.78 -0.68 0.00 0.00 178.15 177.23 1psr h ASP 14 N 1.05 0.89 -0.37 1.72 3.58 -0.94 -1.42 116.42 120.93 1psr h ASP 14 Ca 0.22 -0.23 0.01 0.00 0.42 0.00 0.00 57.03 57.45 1psr h ASP 14 Cb 0.36 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 1psr h ASP 14 CO 0.00 0.88 0.23 -0.03 -2.88 0.00 0.00 179.24 177.44 1psr h MET 15 N 0.85 0.45 0.08 0.28 4.05 -0.78 -0.43 114.93 119.43 1psr h MET 15 Ca 0.19 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.60 1psr h MET 15 Cb 0.34 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 1psr h MET 15 CO 0.00 0.30 -0.22 0.35 0.23 0.00 0.00 176.91 177.57 1psr h PHE 16 N 0.47 -0.58 -0.87 1.39 3.57 -1.08 -2.87 116.94 116.96 1psr h PHE 16 Ca 0.14 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1psr h PHE 16 Cb -0.02 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 1psr h PHE 16 CO -0.06 -0.31 0.57 1.25 -2.23 0.00 0.00 178.31 177.53 1psr h HIS 17 N -0.39 1.06 -0.83 0.41 2.76 -0.84 -2.07 115.15 115.25 1psr h HIS 17 Ca 0.04 0.03 0.20 0.00 -2.20 0.00 0.00 60.37 58.43 1psr h HIS 17 Cb 0.43 -0.36 -0.05 0.00 1.55 0.00 0.00 27.41 28.98 1psr h HIS 17 CO -0.22 0.63 0.57 0.87 -1.30 0.00 0.00 177.93 178.47 1psr h LYS 18 N 1.11 0.27 -0.25 5.26 1.57 -0.85 -2.33 116.57 121.35 1psr h LYS 18 Ca 0.34 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1psr h LYS 18 Cb -0.01 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1psr h LYS 18 CO -0.10 0.18 0.00 0.66 -0.57 0.00 0.00 179.45 179.62 1psr n TYR 19 N -4.44 0.31 -2.38 -1.35 4.01 -0.79 -4.99 117.16 107.53 1psr n TYR 19 Ca 0.17 -0.20 -0.28 0.00 -0.16 0.00 0.00 57.90 57.43 1psr n TYR 19 Cb 0.71 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 1psr n TYR 19 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1psr s THR 20 N -1.33 4.76 0.18 -0.72 -4.23 -0.88 -4.50 115.64 108.91 1psr s THR 20 Ca 0.29 0.39 0.01 0.00 -1.18 0.00 0.00 61.69 61.20 1psr s THR 20 Cb 0.17 -3.84 0.03 0.00 1.34 0.00 0.00 72.50 70.21 1psr s THR 20 CO 0.25 -0.91 0.24 0.54 -0.54 0.00 0.00 174.62 174.20 1psr n ARG 21 N -2.44 0.64 0.31 3.99 1.74 -0.81 -4.94 116.66 115.15 1psr n ARG 21 Ca 0.02 -0.77 0.19 0.00 -0.77 0.00 0.00 57.85 56.52 1psr n ARG 21 Cb 0.55 -0.13 0.99 0.00 -1.02 0.00 0.00 32.46 32.85 1psr n ARG 21 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1psr h ARG 22 N 0.00 0.00 0.00 5.56 0.11 -2.00 -1.05 114.38 117.00 1psr h ARG 22 Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 1psr h ARG 22 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 1psr h ARG 22 CO 0.10 0.02 0.00 -0.40 0.10 0.00 0.00 179.97 179.79 1psr n ASP 23 N -3.30 0.00 -1.62 0.08 5.75 -1.26 -4.89 116.55 111.31 1psr n ASP 23 Ca -0.02 -1.24 -0.15 0.00 -0.01 0.00 0.00 54.79 53.37 1psr n ASP 23 Cb 0.15 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.22 1psr n ASP 23 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1psr n ASP 24 N -0.75 -4.57 -4.26 -1.12 2.03 -0.40 -5.01 116.55 102.49 1psr n ASP 24 Ca 0.10 0.04 -0.16 0.00 0.52 0.00 0.00 54.79 55.29 1psr n ASP 24 Cb 0.04 -3.66 -0.10 0.00 -0.72 0.00 0.00 41.12 36.68 1psr n ASP 24 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1psr s LYS 25 N -4.53 1.08 -0.18 -0.67 1.02 -1.26 -4.63 119.74 110.57 1psr s LYS 25 Ca 0.00 -1.41 -0.05 0.00 0.02 0.00 0.00 55.97 54.52 1psr s LYS 25 Cb 0.00 -0.75 -0.03 0.00 -0.52 0.00 0.00 37.83 36.53 1psr s LYS 25 CO 0.00 0.11 0.01 0.42 -0.92 0.00 0.00 175.35 174.97 1psr s ILE 26 N -2.98 4.18 0.76 2.17 1.01 0.07 -1.92 121.20 124.49 1psr s ILE 26 Ca 0.15 -0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.48 1psr s ILE 26 Cb 0.00 -2.87 0.09 0.00 0.01 0.00 0.00 42.46 39.69 1psr s ILE 26 CO 0.02 0.45 1.08 1.51 0.00 0.00 0.00 174.94 178.00 1psr s ASP 27 N 0.65 4.46 0.09 3.58 1.47 -1.26 -0.36 116.67 125.30 1psr s ASP 27 Ca 0.00 0.37 -0.26 0.00 1.18 0.00 0.00 52.55 53.85 1psr s ASP 27 Cb -0.14 -0.88 -0.15 0.00 -0.34 0.00 0.00 42.92 41.42 1psr s ASP 27 CO 0.02 -1.84 1.70 0.50 0.68 0.00 0.00 175.17 176.23 1psr h LYS 28 N -0.81 -0.26 -0.95 2.11 3.64 -1.99 -0.46 116.57 117.86 1psr h LYS 28 Ca -0.44 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.05 1psr h LYS 28 Cb 1.30 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.10 1psr h LYS 28 CO 0.55 -0.17 0.59 -1.35 -2.27 0.00 0.00 179.45 176.80 1psr h PRO 29 N -0.27 0.97 -0.10 1.90 0.11 -1.99 -1.59 132.00 131.04 1psr h PRO 29 Ca -0.01 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.91 1psr h PRO 29 Cb 0.23 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1psr h PRO 29 CO 0.01 0.64 -0.50 0.77 -0.21 0.00 0.00 178.00 178.72 1psr h SER 30 N 1.00 0.28 -0.51 -2.05 0.02 -1.83 -1.93 113.55 108.53 1psr h SER 30 Ca 0.44 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1psr h SER 30 Cb 0.33 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1psr h SER 30 CO -0.22 0.73 0.12 0.25 -1.14 0.00 0.00 176.83 176.57 1psr h LEU 31 N 0.21 0.77 -0.64 5.07 5.85 -0.29 0.58 115.31 126.86 1psr h LEU 31 Ca 0.01 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 1psr h LEU 31 Cb 0.95 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1psr h LEU 31 CO 0.08 0.81 0.15 -0.07 -0.34 0.00 0.00 178.44 179.06 1psr h LEU 32 N 0.70 0.98 -0.88 2.25 3.38 -1.18 -1.28 115.31 119.27 1psr h LEU 32 Ca 0.16 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1psr h LEU 32 Cb 0.34 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1psr h LEU 32 CO 0.00 0.96 0.36 0.74 0.09 0.00 0.00 178.44 180.59 1psr h THR 33 N 0.95 1.25 -0.52 0.22 2.02 -1.19 -1.39 112.91 114.25 1psr h THR 33 Ca 0.20 -0.75 0.05 0.00 0.77 0.00 0.00 66.41 66.68 1psr h THR 33 Cb 0.37 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 1psr h THR 33 CO 0.00 0.31 0.26 -0.03 0.37 0.00 0.00 175.52 176.44 1psr h MET 34 N 1.15 0.49 -0.40 6.66 1.85 -0.44 -0.24 114.93 124.00 1psr h MET 34 Ca 0.27 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.32 1psr h MET 34 Cb 0.15 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.05 1psr h MET 34 CO -0.03 0.33 0.20 0.52 -0.40 0.00 0.00 176.91 177.53 1psr h MET 35 N 0.51 0.57 -0.39 0.39 2.07 -0.86 -0.37 114.93 116.84 1psr h MET 35 Ca 0.23 -0.08 -0.10 0.00 -2.07 0.00 0.00 59.70 57.68 1psr h MET 35 Cb 0.14 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 29.75 1psr h MET 35 CO -0.16 0.49 -0.15 0.87 1.07 0.00 0.00 176.91 179.03 1psr h LYS 36 N 0.50 0.71 -0.02 1.72 1.57 -0.81 0.80 116.57 121.05 1psr h LYS 36 Ca 0.14 -0.25 -0.21 0.00 -1.87 0.00 0.00 60.65 58.46 1psr h LYS 36 Cb 0.10 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1psr h LYS 36 CO -0.02 0.83 -0.88 0.93 -0.57 0.00 0.00 179.45 179.74 1psr h GLU 37 N 0.64 0.39 0.00 3.15 5.08 -0.94 -3.31 114.58 119.59 1psr h GLU 37 Ca 0.10 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1psr h GLU 37 Cb 0.62 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1psr h GLU 37 CO 0.04 1.06 -1.66 0.09 -1.00 0.00 0.00 179.01 177.54 1psr n ASN 38 N -3.76 2.06 -2.43 1.42 3.02 -0.16 -4.65 115.26 110.75 1psr n ASN 38 Ca -0.06 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.31 1psr n ASN 38 Cb 0.80 1.33 0.02 0.00 -0.61 0.00 0.00 39.78 41.32 1psr n ASN 38 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1psr n PHE 39 N -2.11 2.43 0.08 3.10 3.72 0.27 -4.89 117.46 120.05 1psr n PHE 39 Ca -0.08 -2.62 0.00 0.00 -0.05 0.00 0.00 57.45 54.70 1psr n PHE 39 Cb 0.51 -0.24 0.31 0.00 -0.94 0.00 0.00 39.48 39.12 1psr n PHE 39 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1psr h PRO 40 N 2.54 0.33 -0.02 -1.08 0.13 -1.65 -1.33 132.00 130.92 1psr h PRO 40 Ca 0.17 -0.10 -0.20 0.00 -0.87 0.00 0.00 66.00 65.00 1psr h PRO 40 Cb 1.22 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1psr h PRO 40 CO 0.65 0.51 -0.85 -0.91 -0.23 0.00 0.00 178.00 177.16 1psr h ASN 41 N 0.30 0.44 -0.25 1.44 2.35 -1.91 0.36 115.58 118.31 1psr h ASN 41 Ca 0.05 -0.33 0.03 0.00 -0.55 0.00 0.00 56.30 55.50 1psr h ASN 41 Cb 0.51 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.72 1psr h ASN 41 CO 0.03 1.11 0.08 0.15 -1.65 0.00 0.00 177.43 177.15 1psr h PHE 42 N 0.21 0.15 -0.42 1.19 3.57 -1.90 -1.80 116.94 117.94 1psr h PHE 42 Ca -0.05 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.38 1psr h PHE 42 Cb 1.46 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.15 1psr h PHE 42 CO 0.05 0.07 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.08 1psr h LEU 43 N 0.20 0.68 -1.00 0.59 3.38 -1.06 -2.28 115.31 115.83 1psr h LEU 43 Ca 0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1psr h LEU 43 Cb 0.08 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1psr h LEU 43 CO -0.11 0.78 0.25 0.28 0.09 0.00 0.00 178.44 179.73 1psr h SER 44 N 0.66 0.89 -0.33 -0.43 0.02 -0.64 -0.06 113.55 113.66 1psr h SER 44 Ca 0.13 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1psr h SER 44 Cb 0.48 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1psr h SER 44 CO 0.02 0.81 -0.10 0.00 -1.14 0.00 0.00 176.83 176.42 1psr h ALA 45 N 1.32 1.03 -0.20 3.77 0.00 -0.98 -0.28 119.26 123.92 1psr h ALA 45 Ca 0.22 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1psr h ALA 45 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1psr h ALA 45 CO -0.02 0.59 0.03 0.00 0.00 0.00 0.00 179.25 179.85 1psr h ASP 47 N 0.14 0.92 -0.34 0.00 3.32 -0.78 -0.94 116.42 118.73 1psr h ASP 47 Ca 0.06 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.20 1psr h ASP 47 Cb 0.31 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1psr h ASP 47 CO 0.00 0.55 0.24 0.50 -1.72 0.00 0.00 179.24 178.81 1psr h LYS 48 N 1.02 0.18 -0.26 3.56 3.64 -0.88 0.27 116.57 124.10 1psr h LYS 48 Ca 0.43 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1psr h LYS 48 Cb 0.31 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1psr h LYS 48 CO -0.19 0.12 0.00 0.36 -2.27 0.00 0.00 179.45 177.47 1psr n LYS 49 N -4.47 2.10 -0.57 1.90 2.85 -0.65 -4.94 118.16 114.37 1psr n LYS 49 Ca 0.04 -1.66 0.00 0.00 -1.05 0.00 0.00 58.31 55.65 1psr n LYS 49 Cb 0.28 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 1psr n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1psr n GLY 50 N 1.30 0.71 3.73 2.58 0.00 0.08 -5.05 105.19 108.54 1psr n GLY 50 Ca 0.17 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1psr n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1psr s THR 51 N -2.00 5.36 -0.84 2.61 2.01 -0.45 -4.97 115.64 117.37 1psr s THR 51 Ca 0.00 0.17 -0.16 0.00 0.31 0.00 0.00 61.69 62.01 1psr s THR 51 Cb 0.00 -3.44 0.18 0.00 0.01 0.00 0.00 72.50 69.25 1psr s THR 51 CO 0.00 0.45 0.88 0.21 -0.69 0.00 0.00 174.62 175.47 1psr s ASN 52 N 0.32 6.66 0.41 3.53 3.04 -1.26 -3.04 114.94 124.60 1psr s ASN 52 Ca 0.08 -2.36 0.09 0.00 0.04 0.00 0.00 52.86 50.71 1psr s ASN 52 Cb -0.11 -2.28 0.90 0.00 -1.54 0.00 0.00 41.25 38.21 1psr s ASN 52 CO -0.02 -0.79 2.00 0.22 -3.04 0.00 0.00 177.10 175.48 1psr h TYR 53 N 8.27 0.55 0.00 0.43 3.20 -1.92 -2.13 116.97 125.37 1psr h TYR 53 Ca 0.09 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1psr h TYR 53 Cb 1.04 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1psr h TYR 53 CO 1.06 0.30 0.00 1.28 -1.64 0.00 0.00 178.16 179.16 1psr n LEU 54 N -4.47 0.35 -0.28 2.82 4.77 -1.26 -2.94 117.00 115.99 1psr n LEU 54 Ca 0.08 0.56 -0.04 0.00 -0.03 0.00 0.00 56.01 56.58 1psr n LEU 54 Cb 0.23 -0.48 0.07 0.00 -2.33 0.00 0.00 43.42 40.91 1psr n LEU 54 CO 0.34 -0.25 1.19 0.00 -1.33 0.00 0.00 177.39 177.34 1psr h ALA 55 N 2.58 0.98 0.00 -1.18 0.00 -1.81 -3.34 119.26 116.49 1psr h ALA 55 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1psr h ALA 55 Cb 0.45 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1psr h ALA 55 CO 0.00 0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.19 1psr n ASP 56 N -4.58 0.87 -0.28 0.00 5.75 -1.25 -4.82 116.55 112.24 1psr n ASP 56 Ca 0.08 -1.32 -0.02 0.00 -0.01 0.00 0.00 54.79 53.52 1psr n ASP 56 Cb 0.04 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.23 1psr n ASP 56 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 1psr h VAL 57 N 0.97 1.10 -0.18 2.12 3.04 -1.65 0.23 116.25 121.87 1psr h VAL 57 Ca 0.00 -0.33 -0.01 0.00 -1.01 0.00 0.00 66.70 65.36 1psr h VAL 57 Cb 0.51 0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.85 1psr h VAL 57 CO 0.00 0.17 0.08 0.15 -1.01 0.00 0.00 177.57 176.96 1psr h PHE 58 N 0.95 0.27 -0.15 3.17 3.57 -1.87 -1.14 116.94 121.74 1psr h PHE 58 Ca 0.32 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.69 1psr h PHE 58 Cb 0.04 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1psr h PHE 58 CO -0.03 0.31 -0.40 0.93 -2.23 0.00 0.00 178.31 176.89 1psr h GLU 59 N 0.16 0.33 -0.39 1.11 3.07 -1.82 0.25 114.58 117.29 1psr h GLU 59 Ca 0.06 -0.16 -0.13 0.00 -0.50 0.00 0.00 59.36 58.64 1psr h GLU 59 Cb 0.15 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 1psr h GLU 59 CO -0.01 0.68 -0.27 0.87 -1.40 0.00 0.00 179.01 178.89 1psr h LYS 60 N 0.28 0.82 0.00 2.33 1.57 -0.82 -3.30 116.57 117.45 1psr h LYS 60 Ca 0.03 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1psr h LYS 60 Cb 0.83 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1psr h LYS 60 CO 0.07 0.99 -0.87 1.63 -0.57 0.00 0.00 179.45 180.70 1psr n LYS 61 N -4.09 0.39 -2.17 3.15 4.76 -0.44 -4.48 118.16 115.28 1psr n LYS 61 Ca -0.00 0.07 -0.43 0.00 -2.87 0.00 0.00 58.31 55.08 1psr n LYS 61 Cb 0.47 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 1psr n LYS 61 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1psr n ASP 62 N -2.25 4.45 -0.29 4.39 2.03 0.05 -4.79 116.55 120.15 1psr n ASP 62 Ca 0.02 -2.91 0.05 0.00 0.52 0.00 0.00 54.79 52.47 1psr n ASP 62 Cb 0.47 -1.67 0.26 0.00 -0.72 0.00 0.00 41.12 39.47 1psr n ASP 62 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1psr h LYS 63 N 6.58 0.94 -0.51 -0.67 3.64 -1.85 -1.70 116.57 123.01 1psr h LYS 63 Ca 0.49 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1psr h LYS 63 Cb 0.73 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1psr h LYS 63 CO 1.67 0.63 0.00 0.27 -2.27 0.00 0.00 179.45 179.75 1psr n ASN 64 N -4.51 3.05 -3.17 4.20 6.94 -1.26 -4.96 115.26 115.55 1psr n ASN 64 Ca 0.14 -1.97 -0.23 0.00 -0.02 0.00 0.00 54.58 52.50 1psr n ASN 64 Cb 0.24 -0.34 0.03 0.00 -2.36 0.00 0.00 39.78 37.35 1psr n ASN 64 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1psr n GLU 65 N 1.18 -4.90 -0.28 -3.83 1.02 -0.64 -4.87 120.64 108.32 1psr n GLU 65 Ca 0.19 0.80 0.12 0.00 -0.02 0.00 0.00 57.16 58.26 1psr n GLU 65 Cb 0.50 -5.66 0.27 0.00 -0.02 0.00 0.00 31.44 26.53 1psr n GLU 65 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1psr n ASP 66 N -2.53 3.71 -1.26 1.62 5.75 -1.26 -4.95 116.55 117.62 1psr n ASP 66 Ca -0.08 -2.00 -0.14 0.00 -0.01 0.00 0.00 54.79 52.57 1psr n ASP 66 Cb 0.60 -0.37 -0.04 0.00 -1.03 0.00 0.00 41.12 40.28 1psr n ASP 66 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1psr n LYS 67 N 1.58 -1.01 -4.03 0.11 5.02 -1.26 -5.00 118.16 113.57 1psr n LYS 67 Ca 0.22 0.86 -0.09 0.00 -2.02 0.00 0.00 58.31 57.29 1psr n LYS 67 Cb 0.62 -5.02 -0.11 0.00 -0.02 0.00 0.00 35.03 30.50 1psr n LYS 67 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1psr s LYS 68 N -3.76 0.44 -0.29 1.97 -0.14 -1.26 -4.54 119.74 112.16 1psr s LYS 68 Ca 0.00 -0.84 -0.08 0.00 -1.36 0.00 0.00 55.97 53.70 1psr s LYS 68 Cb 0.00 0.11 -0.00 0.00 -1.68 0.00 0.00 37.83 36.25 1psr s LYS 68 CO 0.00 -0.06 0.09 0.42 -0.76 0.00 0.00 175.35 175.04 1psr s ILE 69 N -2.30 4.19 0.74 2.17 -1.09 0.52 -4.81 121.20 120.62 1psr s ILE 69 Ca -0.07 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 1psr s ILE 69 Cb -0.04 -3.10 0.14 0.00 -1.58 0.00 0.00 42.46 37.88 1psr s ILE 69 CO -0.04 0.15 1.02 1.51 -1.23 0.00 0.00 174.94 176.34 1psr s ASP 70 N 1.56 4.23 0.22 3.58 -4.77 -1.26 -0.75 116.67 119.48 1psr s ASP 70 Ca 0.04 -0.50 -0.07 0.00 -3.30 0.00 0.00 52.55 48.72 1psr s ASP 70 Cb -0.17 0.21 0.19 0.00 -1.09 0.00 0.00 42.92 42.07 1psr s ASP 70 CO 0.03 -1.96 1.82 0.15 0.70 0.00 0.00 175.17 175.92 1psr h PHE 71 N -0.57 1.24 -0.83 2.11 3.57 -1.99 -0.12 116.94 120.34 1psr h PHE 71 Ca -0.34 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 1psr h PHE 71 Cb 1.26 -0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 1psr h PHE 71 CO -0.26 0.89 0.39 1.03 -2.23 0.00 0.00 178.31 178.12 1psr h SER 72 N 1.23 1.09 -0.12 0.41 0.87 -1.99 0.15 113.55 115.18 1psr h SER 72 Ca 0.30 -0.14 -0.16 0.00 -1.23 0.00 0.00 61.79 60.56 1psr h SER 72 Cb 0.10 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1psr h SER 72 CO -0.04 0.93 -0.47 -0.33 -0.53 0.00 0.00 176.83 176.39 1psr h GLU 73 N 1.18 0.68 -0.61 2.24 5.08 -1.74 -2.24 114.58 119.18 1psr h GLU 73 Ca 0.28 -0.39 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1psr h GLU 73 Cb 0.14 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1psr h GLU 73 CO -0.03 1.01 0.38 0.35 -1.00 0.00 0.00 179.01 179.71 1psr h PHE 74 N 0.55 0.71 -0.81 4.33 3.57 -0.67 -1.83 116.94 122.79 1psr h PHE 74 Ca 0.03 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1psr h PHE 74 Cb 1.02 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 1psr h PHE 74 CO 0.05 0.41 0.46 -0.07 -2.23 0.00 0.00 178.31 176.93 1psr h LEU 75 N 0.75 0.99 -0.85 0.59 3.38 -0.73 -0.42 115.31 119.02 1psr h LEU 75 Ca 0.24 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1psr h LEU 75 Cb -0.00 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1psr h LEU 75 CO -0.09 0.78 0.45 0.28 0.09 0.00 0.00 178.44 179.95 1psr h SER 76 N 1.12 1.08 -0.19 -0.43 0.02 -0.92 0.19 113.55 114.42 1psr h SER 76 Ca 0.29 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1psr h SER 76 Cb -0.00 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1psr h SER 76 CO -0.05 0.89 0.08 0.25 -1.14 0.00 0.00 176.83 176.86 1psr h LEU 77 N 1.20 0.25 -1.37 5.07 5.85 -0.80 -1.10 115.31 124.41 1psr h LEU 77 Ca 0.30 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1psr h LEU 77 Cb 0.06 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1psr h LEU 77 CO -0.04 0.32 0.45 -0.07 -0.34 0.00 0.00 178.44 178.75 1psr h LEU 78 N 0.16 0.72 -0.75 2.25 3.38 -0.74 -1.26 115.31 119.07 1psr h LEU 78 Ca 0.06 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1psr h LEU 78 Cb 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1psr h LEU 78 CO -0.01 0.50 0.19 1.23 0.09 0.00 0.00 178.44 180.44 1psr h GLY 79 N 0.83 1.22 0.98 0.83 0.00 -0.55 0.45 103.07 106.83 1psr h GLY 79 Ca 0.27 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1psr h GLY 79 CO -0.07 0.70 0.28 -0.55 0.00 0.00 0.00 176.54 176.89 1psr h ASP 80 N 1.08 0.68 -0.27 0.19 3.32 -0.18 0.68 116.42 121.92 1psr h ASP 80 Ca 0.23 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1psr h ASP 80 Cb 0.35 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1psr h ASP 80 CO -0.00 0.59 0.10 0.40 -1.72 0.00 0.00 179.24 178.61 1psr h ILE 81 N 0.71 1.19 -0.90 0.35 2.04 -0.97 -2.11 117.51 117.82 1psr h ILE 81 Ca 0.19 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.49 1psr h ILE 81 Cb 0.07 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 1psr h ILE 81 CO -0.03 0.20 0.59 0.00 0.00 0.00 0.00 178.15 178.90 1psr h ALA 82 N 0.94 1.17 -0.87 1.87 0.00 -0.71 -1.64 119.26 120.01 1psr h ALA 82 Ca 0.09 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1psr h ALA 82 Cb 0.21 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1psr h ALA 82 CO -0.01 0.47 0.56 1.15 0.00 0.00 0.00 179.25 181.42 1psr h THR 83 N 1.15 1.12 -0.30 0.00 2.02 -0.67 0.13 112.91 116.36 1psr h THR 83 Ca 0.35 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1psr h THR 83 Cb -0.04 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.31 1psr h THR 83 CO -0.11 0.20 0.18 -0.78 0.37 0.00 0.00 175.52 175.38 1psr h ASP 84 N 1.07 0.36 -0.20 4.18 3.58 -0.63 -0.83 116.42 123.96 1psr h ASP 84 Ca 0.36 -0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.69 1psr h ASP 84 Cb 0.04 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1psr h ASP 84 CO -0.13 0.31 -0.06 1.88 -2.88 0.00 0.00 179.24 178.36 1psr h TYR 85 N 0.38 0.57 -0.31 0.28 0.05 -0.81 -1.43 116.97 115.70 1psr h TYR 85 Ca 0.11 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1psr h TYR 85 Cb 0.01 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1psr h TYR 85 CO -0.04 0.59 0.14 1.25 -1.05 0.00 0.00 178.16 179.05 1psr h HIS 86 N 0.51 0.46 -0.94 4.88 2.76 -0.31 -1.71 115.15 120.79 1psr h HIS 86 Ca 0.10 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1psr h HIS 86 Cb 0.42 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 29.19 1psr h HIS 86 CO 0.01 0.43 0.62 0.87 -1.30 0.00 0.00 177.93 178.56 1psr h LYS 87 N 0.36 1.25 -0.46 5.26 1.57 -0.83 -1.59 116.57 122.14 1psr h LYS 87 Ca 0.11 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1psr h LYS 87 Cb 0.15 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1psr h LYS 87 CO -0.01 0.83 0.26 1.96 -0.57 0.00 0.00 179.45 181.92 1psr h GLN 88 N 1.28 0.62 0.00 3.15 4.20 -0.87 -1.53 115.11 121.97 1psr h GLN 88 Ca 0.34 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1psr h GLN 88 Cb -0.13 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.51 1psr h GLN 88 CO -0.07 0.46 0.00 -1.13 -0.67 0.00 0.00 178.83 177.41 1psr n SER 89 N -4.43 0.00 -0.19 1.46 3.41 -0.61 -1.36 113.62 111.92 1psr n SER 89 Ca 0.04 -0.18 0.02 0.00 -0.26 0.00 0.00 58.87 58.50 1psr n SER 89 Cb 0.09 -0.19 0.06 0.00 -0.26 0.00 0.00 64.21 63.90 1psr n SER 89 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1psr n HIS 90 N -1.19 0.14 0.00 7.33 8.25 -0.66 -5.00 115.22 124.09 1psr n HIS 90 Ca 0.10 -0.55 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 1psr n HIS 90 Cb 0.12 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1psr n HIS 90 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1psr n GLY 91 N -0.32 0.78 3.77 -1.41 0.00 -0.46 -5.08 105.19 102.46 1psr n GLY 91 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1psr n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1psr s ALA 92 N -2.00 2.47 0.61 4.61 0.00 -0.73 -4.95 121.76 121.77 1psr s ALA 92 Ca 0.00 0.54 -0.16 0.00 0.00 0.00 0.00 51.96 52.34 1psr s ALA 92 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1psr s ALA 92 CO 0.00 -1.27 1.08 0.00 0.00 0.00 0.00 175.76 175.57 1psr s ALA 93 N -2.35 2.64 0.73 0.00 0.00 -1.26 -4.22 121.76 117.29 1psr s ALA 93 Ca 0.67 0.51 -0.13 0.00 0.00 0.00 0.00 51.96 53.01 1psr s ALA 93 Cb -0.20 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.67 1psr s ALA 93 CO 0.42 -0.96 1.11 -2.14 0.00 0.00 0.00 175.76 174.18 1psr s PRO 94 N -3.96 2.41 -1.04 0.00 0.02 -1.26 -4.15 135.00 127.02 1psr s PRO 94 Ca 0.66 1.33 -0.02 0.00 0.02 0.00 0.00 61.00 62.99 1psr s PRO 94 Cb -0.19 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.43 1psr s PRO 94 CO 0.37 -1.55 0.88 0.00 -0.33 0.00 0.00 177.00 176.37 1psr n SER 96 N -2.67 0.97 0.00 0.00 3.41 -1.26 -4.94 113.62 109.13 1psr n SER 96 Ca -0.18 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 1psr n SER 96 Cb 0.62 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 1psr n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1psr n GLY 97 N 1.41 1.55 1.23 5.00 0.00 -1.26 -4.80 105.19 108.32 1psr n GLY 97 Ca 0.09 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1psr n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1psr n GLY 98 N 0.00 -0.23 2.40 -0.02 0.00 -1.26 -4.97 105.19 101.11 1psr n GLY 98 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 1psr n GLY 98 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1psr n SER 99 N -0.66 5.31 0.00 1.61 7.64 -1.26 -5.20 113.62 121.06 1psr n SER 99 Ca 0.00 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.13 1psr n SER 99 Cb 0.25 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1psr n SER 99 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70