#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3psr s ASN 2 N 0.00 6.39 1.12 -3.46 0.01 -1.26 -5.11 114.94 112.64 3psr s ASN 2 Ca 0.00 0.38 -0.12 0.00 -0.71 0.00 0.00 52.86 52.40 3psr s ASN 2 Cb 0.00 -2.01 0.26 0.00 0.41 0.00 0.00 41.25 39.91 3psr s ASN 2 CO 0.00 0.25 1.05 0.42 -1.51 0.00 0.00 177.10 177.30 3psr s THR 3 N -1.35 2.05 0.17 1.60 -4.23 -1.26 -4.71 115.64 107.90 3psr s THR 3 Ca 0.28 0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.66 3psr s THR 3 Cb -0.13 -2.12 0.04 0.00 1.34 0.00 0.00 72.50 71.63 3psr s THR 3 CO 0.19 -0.02 1.81 -0.61 -0.54 0.00 0.00 174.62 175.46 3psr h GLN 4 N -2.47 0.56 -0.15 3.99 -0.00 -1.99 -0.39 115.11 114.65 3psr h GLN 4 Ca -0.59 -0.03 0.05 0.00 -0.00 0.00 0.00 58.65 58.08 3psr h GLN 4 Cb 1.33 -0.13 -0.06 0.00 0.00 0.00 0.00 27.48 28.62 3psr h GLN 4 CO 0.50 0.37 -0.27 0.00 0.00 0.00 0.00 178.83 179.43 3psr h ALA 5 N 1.19 -0.26 -0.49 3.38 0.00 -1.99 0.98 119.26 122.08 3psr h ALA 5 Ca 0.18 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3psr h ALA 5 Cb -0.01 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3psr h ALA 5 CO -0.07 -0.73 0.20 0.93 0.00 0.00 0.00 179.25 179.59 3psr h GLU 6 N -0.33 0.39 -0.64 0.00 5.08 -1.88 -1.36 114.58 115.84 3psr h GLU 6 Ca 0.11 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3psr h GLU 6 Cb 0.49 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 3psr h GLU 6 CO -0.34 0.26 0.36 0.00 -1.00 0.00 0.00 179.01 178.29 3psr h ARG 7 N 0.40 0.66 -1.01 2.33 3.08 0.65 -1.49 114.38 119.01 3psr h ARG 7 Ca 0.23 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.25 3psr h ARG 7 Cb 0.20 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 3psr h ARG 7 CO -0.20 0.44 0.67 1.03 -1.07 0.00 0.00 179.97 180.83 3psr h SER 8 N 0.68 1.15 -0.19 7.04 0.87 0.20 -0.23 113.55 123.06 3psr h SER 8 Ca 0.28 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.73 3psr h SER 8 Cb 0.14 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 3psr h SER 8 CO -0.16 0.83 -0.19 0.40 -0.53 0.00 0.00 176.83 177.18 3psr h ILE 9 N 1.35 1.33 -0.80 2.23 2.04 -0.82 -2.85 117.51 120.00 3psr h ILE 9 Ca 0.37 -1.35 0.07 0.00 1.00 0.00 0.00 64.86 64.96 3psr h ILE 9 Cb -0.14 1.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 3psr h ILE 9 CO -0.09 0.41 0.52 0.40 0.00 0.00 0.00 178.15 179.39 3psr h ILE 10 N 0.12 1.01 -0.81 -0.67 2.04 -0.88 -1.65 117.51 116.67 3psr h ILE 10 Ca 0.03 -0.28 0.13 0.00 1.00 0.00 0.00 64.86 65.74 3psr h ILE 10 Cb 0.73 0.11 -0.09 0.00 -0.74 0.00 0.00 36.82 36.83 3psr h ILE 10 CO 0.05 0.15 0.41 1.23 0.00 0.00 0.00 178.15 179.98 3psr h GLY 11 N 0.83 1.29 1.25 5.37 0.00 -0.81 0.12 103.07 111.12 3psr h GLY 11 Ca 0.35 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 3psr h GLY 11 CO -0.13 -0.02 -0.15 -0.33 0.00 0.00 0.00 176.54 175.91 3psr h MET 12 N 0.60 0.87 -0.58 4.80 2.86 -1.23 0.61 114.93 122.85 3psr h MET 12 Ca 0.43 -0.32 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 3psr h MET 12 Cb 0.59 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 3psr h MET 12 CO -0.35 0.96 -0.00 0.82 1.06 0.00 0.00 176.91 179.40 3psr h ILE 13 N 0.77 1.26 -0.34 -1.22 2.04 -1.23 0.14 117.51 118.93 3psr h ILE 13 Ca 0.12 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 3psr h ILE 13 Cb 0.67 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3psr h ILE 13 CO 0.05 0.41 0.08 0.44 0.00 0.00 0.00 178.15 179.13 3psr h ASP 14 N 0.93 0.53 -0.33 1.72 3.32 0.10 -0.99 116.42 121.70 3psr h ASP 14 Ca 0.17 -0.24 0.06 0.00 0.02 0.00 0.00 57.03 57.04 3psr h ASP 14 Cb 0.54 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 3psr h ASP 14 CO 0.03 0.63 -0.01 -0.03 -1.72 0.00 0.00 179.24 178.14 3psr h MET 15 N 0.40 0.08 -0.30 3.56 4.05 0.44 -1.72 114.93 121.45 3psr h MET 15 Ca 0.11 -0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.59 3psr h MET 15 Cb 0.31 -0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.01 3psr h MET 15 CO 0.00 0.05 -0.27 0.35 0.23 0.00 0.00 176.91 177.28 3psr h PHE 16 N 0.08 -0.72 0.00 1.39 3.57 -0.38 -0.59 116.94 120.29 3psr h PHE 16 Ca 0.16 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3psr h PHE 16 Cb 0.22 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.32 3psr h PHE 16 CO -0.24 -0.34 0.00 0.72 -2.23 0.00 0.00 178.31 176.22 3psr n HIS 17 N -5.39 0.00 0.18 0.41 8.25 -0.41 -0.88 115.22 117.38 3psr n HIS 17 Ca -0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 3psr n HIS 17 Cb 0.31 -0.39 0.15 0.00 1.12 0.00 0.00 29.99 31.18 3psr n HIS 17 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3psr h LYS 18 N 0.00 0.00 -0.02 -0.41 1.57 -0.20 -3.35 116.57 114.15 3psr h LYS 18 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3psr h LYS 18 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3psr h LYS 18 CO 0.00 0.31 0.00 0.66 -0.57 0.00 0.00 179.45 179.85 3psr n TYR 19 N -3.22 0.03 -2.10 -1.35 4.02 -0.06 -5.04 117.16 109.45 3psr n TYR 19 Ca 0.02 -0.27 -0.29 0.00 -0.01 0.00 0.00 57.90 57.35 3psr n TYR 19 Cb 0.62 -0.03 0.02 0.00 -0.02 0.00 0.00 39.34 39.93 3psr n TYR 19 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3psr s THR 20 N -0.59 4.33 0.23 -0.72 -4.23 -1.04 -4.62 115.64 109.01 3psr s THR 20 Ca 0.02 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 3psr s THR 20 Cb 0.01 -3.72 0.05 0.00 1.34 0.00 0.00 72.50 70.17 3psr s THR 20 CO 0.02 -0.88 0.32 0.54 -0.54 0.00 0.00 174.62 174.08 3psr n ARG 21 N -2.68 0.41 -0.16 3.99 5.12 0.05 -4.92 116.66 118.47 3psr n ARG 21 Ca 0.05 -0.88 0.15 0.00 -1.93 0.00 0.00 57.85 55.24 3psr n ARG 21 Cb 0.55 -0.21 0.50 0.00 -1.16 0.00 0.00 32.46 32.15 3psr n ARG 21 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3psr h ARG 22 N 0.00 0.41 -0.05 5.56 3.08 -1.98 -1.59 114.38 119.80 3psr h ARG 22 Ca -0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3psr h ARG 22 Cb 0.39 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3psr h ARG 22 CO 0.11 0.27 0.00 -0.40 -1.07 0.00 0.00 179.97 178.88 3psr n ASP 23 N -4.48 0.29 -1.13 7.04 5.68 -1.26 -4.84 116.55 117.85 3psr n ASP 23 Ca 0.14 -1.84 -0.13 0.00 -0.50 0.00 0.00 54.79 52.46 3psr n ASP 23 Cb 0.51 -0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.42 3psr n ASP 23 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3psr n ASP 24 N -0.42 -4.45 -4.31 -1.12 2.03 -0.60 -5.00 116.55 102.68 3psr n ASP 24 Ca 0.06 0.23 -0.22 0.00 0.52 0.00 0.00 54.79 55.38 3psr n ASP 24 Cb 0.07 -3.24 -0.11 0.00 -0.72 0.00 0.00 41.12 37.11 3psr n ASP 24 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3psr s LYS 25 N -3.52 1.21 -0.20 -0.67 1.02 -1.26 -4.56 119.74 111.77 3psr s LYS 25 Ca 0.00 -1.34 -0.06 0.00 0.02 0.00 0.00 55.97 54.59 3psr s LYS 25 Cb 0.00 -1.29 -0.03 0.00 -0.52 0.00 0.00 37.83 35.99 3psr s LYS 25 CO 0.00 0.27 0.04 0.42 -0.92 0.00 0.00 175.35 175.16 3psr s ILE 26 N -1.88 4.37 0.80 2.17 1.01 -0.18 -0.77 121.20 126.73 3psr s ILE 26 Ca 0.13 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.49 3psr s ILE 26 Cb -0.06 -2.98 0.08 0.00 0.01 0.00 0.00 42.46 39.50 3psr s ILE 26 CO 0.06 0.43 1.16 1.51 0.00 0.00 0.00 174.94 178.10 3psr s ASP 27 N 0.80 4.49 0.06 3.58 1.47 -1.26 -1.30 116.67 124.50 3psr s ASP 27 Ca 0.02 0.72 -0.28 0.00 1.18 0.00 0.00 52.55 54.19 3psr s ASP 27 Cb -0.14 -1.21 -0.17 0.00 -0.34 0.00 0.00 42.92 41.06 3psr s ASP 27 CO 0.02 -1.90 1.58 0.50 0.68 0.00 0.00 175.17 176.05 3psr h LYS 28 N -1.02 -0.46 -0.19 2.11 3.64 -1.99 0.92 116.57 119.57 3psr h LYS 28 Ca -0.46 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 3psr h LYS 28 Cb 1.32 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.24 3psr h LYS 28 CO 0.64 -0.26 0.08 -1.00 -2.27 0.00 0.00 179.45 176.64 3psr h PRO 29 N -0.56 0.26 -0.37 1.90 0.13 -1.98 -0.37 132.00 131.00 3psr h PRO 29 Ca -0.05 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 64.90 3psr h PRO 29 Cb 0.42 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 3psr h PRO 29 CO 0.08 0.22 -0.40 0.77 -0.23 0.00 0.00 178.00 178.43 3psr h SER 30 N 0.26 0.97 -0.85 1.44 0.02 -1.85 -1.83 113.55 111.71 3psr h SER 30 Ca 0.07 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.55 3psr h SER 30 Cb 0.05 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 3psr h SER 30 CO -0.01 1.24 0.47 0.25 -1.14 0.00 0.00 176.83 177.65 3psr h LEU 31 N 0.74 1.06 -0.47 5.07 5.85 0.73 0.99 115.31 129.27 3psr h LEU 31 Ca 0.06 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 3psr h LEU 31 Cb 0.99 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3psr h LEU 31 CO 0.10 0.84 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.93 3psr h LEU 32 N 1.19 0.86 -0.29 2.25 3.38 -1.07 -1.91 115.31 119.72 3psr h LEU 32 Ca 0.30 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3psr h LEU 32 Cb 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3psr h LEU 32 CO -0.05 0.98 0.09 0.74 0.09 0.00 0.00 178.44 180.29 3psr h THR 33 N 0.71 0.90 -0.37 0.22 2.02 -0.83 -1.33 112.91 114.23 3psr h THR 33 Ca 0.13 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 67.30 3psr h THR 33 Cb 0.57 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.60 3psr h THR 33 CO 0.03 0.04 0.00 -0.03 0.37 0.00 0.00 175.52 175.94 3psr h MET 34 N 0.21 0.10 0.12 6.66 -1.53 -0.66 -0.43 114.93 119.41 3psr h MET 34 Ca 0.13 -0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.40 3psr h MET 34 Cb 0.11 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.11 3psr h MET 34 CO -0.15 0.07 -0.19 0.52 0.14 0.00 0.00 176.91 177.30 3psr h MET 35 N 0.11 -0.37 -0.75 0.39 2.07 -1.04 -0.81 114.93 114.53 3psr h MET 35 Ca 0.18 0.02 0.02 0.00 -2.07 0.00 0.00 59.70 57.85 3psr h MET 35 Cb 0.25 0.08 -0.04 0.00 -1.87 0.00 0.00 31.60 30.02 3psr h MET 35 CO -0.30 -0.24 0.49 0.87 1.07 0.00 0.00 176.91 178.80 3psr h LYS 36 N -0.38 0.95 0.00 1.72 1.57 -0.93 0.60 116.57 120.10 3psr h LYS 36 Ca 0.02 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.57 3psr h LYS 36 Cb 0.39 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3psr h LYS 36 CO -0.10 0.63 -0.85 0.93 -0.57 0.00 0.00 179.45 179.49 3psr h GLU 37 N 0.97 0.03 0.00 3.15 5.08 -0.98 -3.35 114.58 119.49 3psr h GLU 37 Ca 0.29 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3psr h GLU 37 Cb -0.05 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3psr h GLU 37 CO -0.08 0.86 -1.35 0.09 -1.00 0.00 0.00 179.01 177.52 3psr n ASN 38 N -3.57 2.98 -2.84 1.42 3.02 -0.32 -4.72 115.26 111.23 3psr n ASN 38 Ca -0.01 -0.02 -0.21 0.00 -0.03 0.00 0.00 54.58 54.31 3psr n ASN 38 Cb 0.80 1.37 -0.01 0.00 -0.61 0.00 0.00 39.78 41.33 3psr n ASN 38 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3psr n PHE 39 N -1.77 2.23 -0.01 3.10 3.72 0.18 -4.91 117.46 120.00 3psr n PHE 39 Ca -0.01 -3.49 -0.08 0.00 -0.05 0.00 0.00 57.45 53.81 3psr n PHE 39 Cb 0.22 -0.35 0.08 0.00 -0.94 0.00 0.00 39.48 38.48 3psr n PHE 39 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3psr h PRO 40 N 2.90 0.59 -0.44 -1.08 0.13 -1.70 -2.27 132.00 130.13 3psr h PRO 40 Ca 0.11 -0.33 -0.13 0.00 -0.87 0.00 0.00 66.00 64.79 3psr h PRO 40 Cb 0.87 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 3psr h PRO 40 CO 0.67 0.92 -0.23 -0.91 -0.23 0.00 0.00 178.00 178.22 3psr h ASN 41 N 0.48 0.92 -0.63 1.44 2.35 -1.93 0.25 115.58 118.45 3psr h ASN 41 Ca 0.03 -0.35 0.05 0.00 -0.55 0.00 0.00 56.30 55.49 3psr h ASN 41 Cb 0.98 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 39.04 3psr h ASN 41 CO 0.09 1.11 0.35 0.15 -1.65 0.00 0.00 177.43 177.48 3psr h PHE 42 N 0.78 0.65 -0.14 1.19 3.57 -1.92 -1.91 116.94 119.15 3psr h PHE 42 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 3psr h PHE 42 Cb 0.79 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 3psr h PHE 42 CO 0.05 0.32 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.29 3psr h LEU 43 N 0.66 0.32 -1.69 0.59 3.38 -0.99 -2.57 115.31 115.02 3psr h LEU 43 Ca 0.28 -0.42 0.18 0.00 0.09 0.00 0.00 57.88 58.00 3psr h LEU 43 Cb 0.16 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3psr h LEU 43 CO -0.17 0.67 0.52 0.77 0.09 0.00 0.00 178.44 180.32 3psr h SER 44 N -0.03 0.28 -0.47 -0.43 4.64 -0.73 0.10 113.55 116.91 3psr h SER 44 Ca 0.03 0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.28 3psr h SER 44 Cb 0.56 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3psr h SER 44 CO 0.02 0.13 -0.07 0.00 -0.87 0.00 0.00 176.83 176.05 3psr h ALA 45 N 1.64 0.65 -0.33 5.18 0.00 -0.96 -0.12 119.26 125.32 3psr h ALA 45 Ca 0.38 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3psr h ALA 45 Cb 1.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3psr h ALA 45 CO -0.10 0.51 -0.32 0.00 0.00 0.00 0.00 179.25 179.34 3psr h ASP 47 N 0.57 0.70 0.24 0.00 5.19 -0.05 1.48 116.42 124.56 3psr h ASP 47 Ca 0.05 -0.20 -0.07 0.00 -0.62 0.00 0.00 57.03 56.20 3psr h ASP 47 Cb 0.90 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.21 3psr h ASP 47 CO 0.08 0.83 -0.29 0.11 -3.12 0.00 0.00 179.24 176.86 3psr h LYS 48 N 0.65 0.09 0.00 3.56 1.57 -0.90 0.26 116.57 121.80 3psr h LYS 48 Ca 0.11 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3psr h LYS 48 Cb 0.55 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3psr h LYS 48 CO 0.03 0.37 0.00 1.17 -0.57 0.00 0.00 179.45 180.45 3psr n LYS 49 N -4.17 0.79 -0.65 3.15 4.81 -0.59 -4.86 118.16 116.64 3psr n LYS 49 Ca -0.02 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 3psr n LYS 49 Cb 0.35 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.90 3psr n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3psr n GLY 50 N 0.92 0.61 3.24 3.14 0.00 0.08 -5.05 105.19 108.13 3psr n GLY 50 Ca 0.20 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3psr n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3psr s THR 51 N -2.00 2.60 -0.78 2.61 2.01 0.50 -4.93 115.64 115.65 3psr s THR 51 Ca 0.00 -0.78 -0.14 0.00 0.31 0.00 0.00 61.69 61.08 3psr s THR 51 Cb 0.00 -2.11 0.20 0.00 0.01 0.00 0.00 72.50 70.60 3psr s THR 51 CO 0.00 0.51 0.73 0.21 -0.69 0.00 0.00 174.62 175.38 3psr s ASN 52 N 0.99 6.66 0.37 3.53 2.47 -1.26 -1.58 114.94 126.12 3psr s ASN 52 Ca -0.02 -2.53 0.13 0.00 0.42 0.00 0.00 52.86 50.86 3psr s ASN 52 Cb -0.15 -2.21 0.94 0.00 -1.45 0.00 0.00 41.25 38.38 3psr s ASN 52 CO -0.03 -0.63 1.81 0.22 -3.72 0.00 0.00 177.10 174.75 3psr h TYR 53 N 7.98 0.78 0.00 0.43 3.20 -1.92 -2.43 116.97 125.01 3psr h TYR 53 Ca 0.04 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3psr h TYR 53 Cb 1.05 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 3psr h TYR 53 CO 0.99 0.18 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.58 3psr h LEU 54 N 0.56 0.00 -1.53 2.82 3.38 -1.99 -2.90 115.31 115.65 3psr h LEU 54 Ca 0.53 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.55 3psr h LEU 54 Cb 1.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 3psr h LEU 54 CO -0.27 0.03 0.39 0.00 0.09 0.00 0.00 178.44 178.67 3psr h ALA 55 N 1.97 1.79 0.00 1.53 0.00 -1.86 -3.33 119.26 119.35 3psr h ALA 55 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3psr h ALA 55 Cb 0.60 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3psr h ALA 55 CO 0.00 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 178.98 3psr n ASP 56 N -4.47 0.11 -0.23 0.00 5.75 -1.21 -4.84 116.55 111.65 3psr n ASP 56 Ca 0.08 -0.43 0.03 0.00 -0.01 0.00 0.00 54.79 54.46 3psr n ASP 56 Cb 0.21 0.23 0.13 0.00 -1.03 0.00 0.00 41.12 40.66 3psr n ASP 56 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 3psr h VAL 57 N 0.21 0.40 -0.37 2.12 3.04 -1.62 0.24 116.25 120.26 3psr h VAL 57 Ca 0.00 -0.04 0.05 0.00 -1.01 0.00 0.00 66.70 65.70 3psr h VAL 57 Cb 0.10 0.29 -0.04 0.00 -2.01 0.00 0.00 31.29 29.63 3psr h VAL 57 CO 0.00 0.02 0.11 0.15 -1.01 0.00 0.00 177.57 176.84 3psr h PHE 58 N 0.11 0.20 -0.30 3.17 3.57 -1.88 0.24 116.94 122.05 3psr h PHE 58 Ca 0.37 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.85 3psr h PHE 58 Cb 0.63 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3psr h PHE 58 CO -0.40 0.07 0.02 0.93 -2.23 0.00 0.00 178.31 176.70 3psr h GLU 59 N 0.26 0.45 0.01 1.11 3.07 -0.98 -0.04 114.58 118.46 3psr h GLU 59 Ca 0.17 -0.08 -0.22 0.00 -0.50 0.00 0.00 59.36 58.73 3psr h GLU 59 Cb 0.17 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 3psr h GLU 59 CO -0.19 0.46 -1.07 0.87 -1.40 0.00 0.00 179.01 177.68 3psr h LYS 60 N 0.44 0.02 0.00 2.33 1.79 -0.04 -3.35 116.57 117.76 3psr h LYS 60 Ca 0.10 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3psr h LYS 60 Cb 0.26 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 3psr h LYS 60 CO 0.01 0.98 -1.05 1.63 -1.08 0.00 0.00 179.45 179.94 3psr n LYS 61 N -3.34 0.43 -1.80 3.15 4.76 0.74 -4.41 118.16 117.69 3psr n LYS 61 Ca -0.02 0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 3psr n LYS 61 Cb 0.96 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 3psr n LYS 61 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3psr n ASP 62 N -2.26 3.97 0.06 4.39 2.03 -0.07 -4.75 116.55 119.92 3psr n ASP 62 Ca 0.01 -2.85 0.12 0.00 0.52 0.00 0.00 54.79 52.59 3psr n ASP 62 Cb 0.49 -1.66 0.59 0.00 -0.72 0.00 0.00 41.12 39.82 3psr n ASP 62 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3psr h LYS 63 N 6.11 0.17 -0.67 -0.67 3.64 -1.86 -1.08 116.57 122.21 3psr h LYS 63 Ca 0.56 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 3psr h LYS 63 Cb 0.66 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3psr h LYS 63 CO 1.85 0.12 0.00 0.27 -2.27 0.00 0.00 179.45 179.42 3psr n ASN 64 N -4.47 4.02 -4.03 4.20 6.94 -1.26 -4.97 115.26 115.69 3psr n ASN 64 Ca 0.05 -2.10 -0.30 0.00 -0.02 0.00 0.00 54.58 52.20 3psr n ASN 64 Cb 0.32 -0.48 -0.01 0.00 -2.36 0.00 0.00 39.78 37.25 3psr n ASN 64 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3psr n GLU 65 N 1.40 -3.91 -0.52 -3.83 1.02 -0.41 -4.85 120.64 109.54 3psr n GLU 65 Ca 0.23 0.45 0.11 0.00 -0.02 0.00 0.00 57.16 57.93 3psr n GLU 65 Cb 0.66 -5.02 0.35 0.00 -0.02 0.00 0.00 31.44 27.41 3psr n GLU 65 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3psr n ASP 66 N -2.83 4.46 -1.54 1.62 5.75 -1.26 -4.91 116.55 117.84 3psr n ASP 66 Ca -0.08 -2.25 -0.20 0.00 -0.01 0.00 0.00 54.79 52.25 3psr n ASP 66 Cb 0.57 -0.55 -0.08 0.00 -1.03 0.00 0.00 41.12 40.03 3psr n ASP 66 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3psr n LYS 67 N 1.39 -1.39 -4.13 0.11 4.01 -1.26 -4.97 118.16 111.93 3psr n LYS 67 Ca 0.26 1.19 -0.15 0.00 -0.51 0.00 0.00 58.31 59.10 3psr n LYS 67 Cb 0.78 -5.54 -0.11 0.00 -0.51 0.00 0.00 35.03 29.65 3psr n LYS 67 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3psr s LYS 68 N -3.72 0.71 -0.38 1.97 -0.14 -1.26 -4.48 119.74 112.44 3psr s LYS 68 Ca 0.00 -0.94 -0.10 0.00 -1.36 0.00 0.00 55.97 53.57 3psr s LYS 68 Cb 0.00 -0.51 0.04 0.00 -1.68 0.00 0.00 37.83 35.68 3psr s LYS 68 CO 0.00 0.09 0.20 0.42 -0.76 0.00 0.00 175.35 175.31 3psr s ILE 69 N -1.70 4.45 0.86 2.17 -1.09 -0.42 -4.79 121.20 120.68 3psr s ILE 69 Ca -0.03 -0.96 -0.09 0.00 -2.23 0.00 0.00 60.65 57.34 3psr s ILE 69 Cb -0.08 -3.53 0.18 0.00 -1.58 0.00 0.00 42.46 37.46 3psr s ILE 69 CO 0.01 -0.27 1.18 1.51 -1.23 0.00 0.00 174.94 176.14 3psr s ASP 70 N 1.61 3.57 0.22 3.58 1.47 -1.26 -1.01 116.67 124.85 3psr s ASP 70 Ca 0.02 -0.13 -0.07 0.00 1.18 0.00 0.00 52.55 53.54 3psr s ASP 70 Cb -0.20 -0.00 0.18 0.00 -0.34 0.00 0.00 42.92 42.56 3psr s ASP 70 CO 0.06 -2.41 1.82 0.15 0.68 0.00 0.00 175.17 175.47 3psr h PHE 71 N -1.16 1.22 -0.21 2.11 3.57 -1.98 0.90 116.94 121.38 3psr h PHE 71 Ca -0.40 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.02 3psr h PHE 71 Cb 1.24 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3psr h PHE 71 CO -0.82 0.87 0.01 0.66 -2.23 0.00 0.00 178.31 176.80 3psr h SER 72 N 1.20 0.36 -0.86 0.41 4.64 -1.99 0.65 113.55 117.97 3psr h SER 72 Ca 0.29 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3psr h SER 72 Cb 0.11 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 3psr h SER 72 CO -0.04 0.57 0.55 -0.33 -0.87 0.00 0.00 176.83 176.70 3psr h GLU 73 N 0.14 1.16 -0.25 4.77 5.08 -1.82 -1.50 114.58 122.15 3psr h GLU 73 Ca 0.06 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3psr h GLU 73 Cb 0.38 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3psr h GLU 73 CO 0.01 0.79 0.04 0.35 -1.00 0.00 0.00 179.01 179.20 3psr h PHE 74 N 1.18 0.06 -0.78 4.33 3.57 -0.37 -1.97 116.94 122.97 3psr h PHE 74 Ca 0.31 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.91 3psr h PHE 74 Cb -0.09 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.59 3psr h PHE 74 CO 0.00 0.01 0.44 -0.07 -2.23 0.00 0.00 178.31 176.46 3psr h LEU 75 N 0.13 0.64 -0.47 0.59 3.38 0.12 -1.97 115.31 117.73 3psr h LEU 75 Ca 0.11 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3psr h LEU 75 Cb 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3psr h LEU 75 CO -0.16 0.38 0.23 -1.28 0.09 0.00 0.00 178.44 177.70 3psr h SER 76 N 0.77 0.62 -0.32 -0.43 0.87 -0.78 -0.57 113.55 113.71 3psr h SER 76 Ca 0.37 -0.13 0.07 0.00 -1.23 0.00 0.00 61.79 60.86 3psr h SER 76 Cb 0.30 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.04 3psr h SER 76 CO -0.23 0.58 -0.10 0.25 -0.53 0.00 0.00 176.83 176.80 3psr h LEU 77 N 0.62 -0.37 -1.54 2.23 5.85 -0.80 0.15 115.31 121.45 3psr h LEU 77 Ca 0.16 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 3psr h LEU 77 Cb 0.12 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3psr h LEU 77 CO -0.02 -0.13 0.06 -0.07 -0.34 0.00 0.00 178.44 177.94 3psr h LEU 78 N -0.04 0.33 -0.68 2.25 3.38 -1.07 -2.06 115.31 117.42 3psr h LEU 78 Ca 0.16 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3psr h LEU 78 Cb 0.27 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3psr h LEU 78 CO -0.35 0.34 0.43 1.23 0.09 0.00 0.00 178.44 180.18 3psr h GLY 79 N 0.57 0.96 1.48 0.83 0.00 0.85 0.48 103.07 108.24 3psr h GLY 79 Ca 0.09 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 3psr h GLY 79 CO -0.00 0.30 -0.08 -0.55 0.00 0.00 0.00 176.54 176.20 3psr h ASP 80 N 0.86 0.61 -0.02 0.19 3.32 -0.37 -1.58 116.42 119.43 3psr h ASP 80 Ca 0.26 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3psr h ASP 80 Cb -0.03 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3psr h ASP 80 CO -0.08 0.74 -0.04 0.40 -1.72 0.00 0.00 179.24 178.53 3psr h ILE 81 N 0.59 1.43 -0.47 0.35 2.04 -0.96 -1.58 117.51 118.91 3psr h ILE 81 Ca 0.11 -1.35 0.09 0.00 1.00 0.00 0.00 64.86 64.72 3psr h ILE 81 Cb 0.50 2.29 -0.09 0.00 -0.74 0.00 0.00 36.82 38.77 3psr h ILE 81 CO 0.03 0.36 -0.14 0.00 0.00 0.00 0.00 178.15 178.39 3psr h ALA 82 N 0.46 0.26 -0.80 1.87 0.00 -0.90 -0.66 119.26 119.48 3psr h ALA 82 Ca 0.00 0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.21 3psr h ALA 82 Cb 0.61 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 3psr h ALA 82 CO 0.01 -0.47 0.41 1.15 0.00 0.00 0.00 179.25 180.35 3psr h THR 83 N -0.03 0.78 -0.52 0.00 2.02 -1.21 0.40 112.91 114.35 3psr h THR 83 Ca 0.23 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 3psr h THR 83 Cb 0.38 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 3psr h THR 83 CO -0.50 0.12 0.13 -0.78 0.37 0.00 0.00 175.52 174.85 3psr h ASP 84 N 0.64 0.79 -0.57 4.18 1.82 -0.10 -1.81 116.42 121.36 3psr h ASP 84 Ca 0.42 -0.23 -0.00 0.00 -0.39 0.00 0.00 57.03 56.83 3psr h ASP 84 Cb 0.53 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.30 3psr h ASP 84 CO -0.32 0.82 0.36 1.88 -1.61 0.00 0.00 179.24 180.37 3psr h TYR 85 N 0.73 0.75 0.33 0.28 0.05 -0.51 -1.44 116.97 117.16 3psr h TYR 85 Ca 0.16 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.94 3psr h TYR 85 Cb 0.34 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.83 3psr h TYR 85 CO 0.02 0.49 -0.16 1.25 -1.05 0.00 0.00 178.16 178.72 3psr h HIS 86 N 0.80 -0.41 -0.77 4.88 2.76 -0.23 -1.46 115.15 120.72 3psr h HIS 86 Ca 0.21 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.50 3psr h HIS 86 Cb -0.05 0.13 -0.05 0.00 1.55 0.00 0.00 27.41 28.99 3psr h HIS 86 CO 0.00 -0.21 0.51 0.87 -1.30 0.00 0.00 177.93 177.80 3psr h LYS 87 N -0.51 0.52 -0.60 5.26 1.57 -1.06 0.53 116.57 122.28 3psr h LYS 87 Ca -0.04 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3psr h LYS 87 Cb 0.38 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3psr h LYS 87 CO 0.07 0.35 0.37 1.96 -0.57 0.00 0.00 179.45 181.63 3psr h GLN 88 N 0.54 0.72 0.00 3.15 4.20 -0.44 -1.97 115.11 121.31 3psr h GLN 88 Ca 0.37 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.04 3psr h GLN 88 Cb 0.69 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3psr h GLN 88 CO -0.13 0.47 0.00 -1.13 -0.67 0.00 0.00 178.83 177.37 3psr n SER 89 N -4.72 0.01 -1.22 1.46 3.41 0.16 -0.10 113.62 112.61 3psr n SER 89 Ca 0.05 0.50 -0.01 0.00 -0.26 0.00 0.00 58.87 59.16 3psr n SER 89 Cb 0.07 -0.51 0.23 0.00 -0.26 0.00 0.00 64.21 63.74 3psr n SER 89 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3psr n HIS 90 N -1.51 1.33 0.00 7.33 8.25 -0.80 -4.97 115.22 124.85 3psr n HIS 90 Ca 0.03 -1.29 0.00 0.00 -0.26 0.00 0.00 57.72 56.19 3psr n HIS 90 Cb 0.13 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.76 3psr n HIS 90 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3psr n GLY 91 N -0.79 3.04 2.79 -1.41 0.00 0.85 -5.06 105.19 104.62 3psr n GLY 91 Ca 0.31 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3psr n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3psr n ALA 92 N 0.00 -4.64 -2.08 4.61 0.00 -0.85 -4.85 120.51 112.70 3psr n ALA 92 Ca 0.00 -0.47 -0.37 0.00 0.00 0.00 0.00 53.44 52.60 3psr n ALA 92 Cb 0.00 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 3psr n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3psr s ALA 93 N -1.82 3.41 0.67 0.00 0.00 -1.26 -4.13 121.76 118.62 3psr s ALA 93 Ca 0.40 0.20 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 3psr s ALA 93 Cb -0.24 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 3psr s ALA 93 CO 0.72 0.32 0.80 -2.30 0.00 0.00 0.00 175.76 175.30 3psr n PRO 94 N 0.82 0.57 -3.19 0.00 -0.02 -1.26 -3.68 135.00 128.25 3psr n PRO 94 Ca -0.03 0.24 -0.23 0.00 -2.02 0.00 0.00 63.50 61.46 3psr n PRO 94 Cb 0.51 -2.04 0.02 0.00 -0.02 0.00 0.00 33.50 31.97 3psr n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48