#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cnp n ALA 2 N 0.00 4.37 -0.67 3.04 0.00 -1.26 -4.92 120.51 121.08 2cnp n ALA 2 Ca 0.00 -3.62 -0.31 0.00 0.00 0.00 0.00 53.44 49.51 2cnp n ALA 2 Cb 0.00 -3.58 0.17 0.00 0.00 0.00 0.00 19.45 16.04 2cnp n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2cnp n SER 3 N 7.14 -1.40 -0.24 0.00 7.64 -1.26 -4.46 113.62 121.05 2cnp n SER 3 Ca 0.51 0.16 0.02 0.00 1.01 0.00 0.00 58.87 60.57 2cnp n SER 3 Cb 0.40 -1.24 0.11 0.00 -1.01 0.00 0.00 64.21 62.46 2cnp n SER 3 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2cnp h PRO 4 N -2.00 0.04 -0.41 1.43 0.11 -1.99 0.14 132.00 129.33 2cnp h PRO 4 Ca -0.49 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.64 2cnp h PRO 4 Cb 1.30 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 2cnp h PRO 4 CO 0.40 0.03 0.23 -0.07 -0.21 0.00 0.00 178.00 178.38 2cnp h LEU 5 N 0.04 0.36 -0.31 2.35 3.38 -1.98 0.84 115.31 119.99 2cnp h LEU 5 Ca 0.36 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.37 2cnp h LEU 5 Cb 0.58 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2cnp h LEU 5 CO -0.67 0.26 0.09 -0.78 0.09 0.00 0.00 178.44 177.42 2cnp h ASP 6 N 0.46 0.07 -0.46 -0.43 3.58 -1.11 0.17 116.42 118.71 2cnp h ASP 6 Ca 0.17 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 2cnp h ASP 6 Cb 0.03 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 2cnp h ASP 6 CO -0.09 0.08 0.20 -0.61 -2.88 0.00 0.00 179.24 175.94 2cnp h GLN 7 N 0.21 0.68 -0.26 0.28 5.75 -0.81 0.15 115.11 121.12 2cnp h GLN 7 Ca 0.14 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 2cnp h GLN 7 Cb 0.13 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 2cnp h GLN 7 CO -0.16 0.60 0.03 0.00 -2.65 0.00 0.00 178.83 176.65 2cnp h ALA 8 N 1.05 0.34 -0.21 3.38 0.00 -0.35 0.19 119.26 123.66 2cnp h ALA 8 Ca 0.16 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2cnp h ALA 8 Cb 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2cnp h ALA 8 CO -0.02 0.03 -0.11 0.82 0.00 0.00 0.00 179.25 179.98 2cnp h ILE 9 N 0.23 0.66 -0.71 0.00 2.04 -0.63 -1.18 117.51 117.92 2cnp h ILE 9 Ca 0.08 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.09 2cnp h ILE 9 Cb 0.35 0.66 -0.13 0.00 -0.74 0.00 0.00 36.82 36.96 2cnp h ILE 9 CO 0.01 0.00 -0.09 1.23 0.00 0.00 0.00 178.15 179.29 2cnp h GLY 10 N -0.09 0.64 0.54 5.37 0.00 -0.20 0.94 103.07 110.29 2cnp h GLY 10 Ca 0.11 0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.63 2cnp h GLY 10 CO -0.26 -0.27 -0.30 1.41 0.00 0.00 0.00 176.54 177.12 2cnp h LEU 11 N 0.05 -0.84 -0.51 3.11 3.38 0.10 0.21 115.31 120.80 2cnp h LEU 11 Ca 0.36 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.44 2cnp h LEU 11 Cb 0.59 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2cnp h LEU 11 CO -0.68 -0.40 0.31 -0.07 0.09 0.00 0.00 178.44 177.69 2cnp h LEU 12 N -0.56 0.51 0.07 1.67 4.07 -0.02 0.10 115.31 121.16 2cnp h LEU 12 Ca 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 2cnp h LEU 12 Cb 0.56 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 2cnp h LEU 12 CO -0.13 0.36 -0.05 0.40 -1.08 0.00 0.00 178.44 177.93 2cnp h ILE 13 N 0.62 0.88 -0.04 1.22 2.04 -0.78 -0.56 117.51 120.89 2cnp h ILE 13 Ca 0.20 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.10 2cnp h ILE 13 Cb 0.01 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 2cnp h ILE 13 CO -0.09 0.00 -0.26 1.23 0.00 0.00 0.00 178.15 179.03 2cnp h GLY 14 N -0.13 -0.37 0.05 5.37 0.00 -0.10 0.26 103.07 108.16 2cnp h GLY 14 Ca -0.00 0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.72 2cnp h GLY 14 CO -0.00 -0.21 -0.19 -2.22 0.00 0.00 0.00 176.54 173.92 2cnp h ILE 15 N -0.38 0.44 0.00 2.60 1.08 -0.76 0.22 117.51 120.72 2cnp h ILE 15 Ca 0.07 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.57 2cnp h ILE 15 Cb 0.48 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 34.61 2cnp h ILE 15 CO -0.26 0.00 -0.42 0.15 -0.69 0.00 0.00 178.15 176.94 2cnp h PHE 16 N -0.12 -1.18 0.00 1.37 3.57 -0.14 -2.58 116.94 117.85 2cnp h PHE 16 Ca 0.19 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 2cnp h PHE 16 Cb 0.41 0.52 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 2cnp h PHE 16 CO -0.42 -0.49 -0.09 0.45 -2.23 0.00 0.00 178.31 175.53 2cnp h HIS 17 N -0.57 0.00 0.00 0.41 3.86 -0.43 0.15 115.15 118.57 2cnp h HIS 17 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2cnp h HIS 17 Cb 0.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.12 2cnp h HIS 17 CO -0.42 0.09 0.10 -0.22 0.86 0.00 0.00 177.93 178.33 2cnp h LYS 18 N 0.00 0.00 0.00 2.45 3.64 -0.15 -2.88 116.57 119.63 2cnp h LYS 18 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2cnp h LYS 18 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2cnp h LYS 18 CO 0.01 0.00 -0.05 0.66 -2.27 0.00 0.00 179.45 177.80 2cnp n TYR 19 N -2.79 0.00 0.04 1.91 4.02 -0.50 -4.76 117.16 115.08 2cnp n TYR 19 Ca -0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.80 2cnp n TYR 19 Cb 0.15 -0.02 -0.04 0.00 -0.02 0.00 0.00 39.34 39.41 2cnp n TYR 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2cnp h SER 20 N -0.05 -0.66 -0.71 7.72 4.64 -0.86 -0.01 113.55 123.62 2cnp h SER 20 Ca 0.00 0.07 0.09 0.00 -0.47 0.00 0.00 61.79 61.48 2cnp h SER 20 Cb 0.05 0.24 -0.10 0.00 -0.31 0.00 0.00 62.40 62.28 2cnp h SER 20 CO 0.00 -0.23 -0.33 0.61 -0.87 0.00 0.00 176.83 176.01 2cnp n GLY 21 N -1.20 -1.60 0.16 -0.77 0.00 -1.10 -1.04 105.19 99.63 2cnp n GLY 21 Ca -0.03 0.81 -0.19 0.00 0.00 0.00 0.00 46.02 46.61 2cnp n GLY 21 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2cnp h LYS 22 N 0.00 0.51 -2.13 1.61 2.10 -1.37 -3.36 116.57 113.93 2cnp h LYS 22 Ca 0.20 -0.66 -0.13 0.00 -2.00 0.00 0.00 60.65 58.06 2cnp h LYS 22 Cb 0.37 0.21 -0.05 0.00 -0.90 0.00 0.00 32.23 31.87 2cnp h LYS 22 CO -0.69 1.27 -0.20 0.39 -2.00 0.00 0.00 179.45 178.22 2cnp n GLU 23 N -3.74 1.52 0.00 0.07 1.02 -0.04 -4.85 120.64 114.62 2cnp n GLU 23 Ca -0.11 -0.68 0.00 0.00 -0.02 0.00 0.00 57.16 56.35 2cnp n GLU 23 Cb 0.94 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 2cnp n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cnp n GLY 24 N 2.39 1.24 2.24 0.62 0.00 -1.24 -4.65 105.19 105.80 2cnp n GLY 24 Ca 0.29 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 2cnp n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cnp n ASP 25 N 2.68 7.98 -0.25 1.61 5.75 -1.26 -4.83 116.55 128.23 2cnp n ASP 25 Ca 0.00 -2.56 0.20 0.00 -0.01 0.00 0.00 54.79 52.42 2cnp n ASP 25 Cb 0.00 -1.53 0.37 0.00 -1.03 0.00 0.00 41.12 38.93 2cnp n ASP 25 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2cnp n LYS 26 N 3.31 -0.05 0.00 0.11 5.02 -1.24 -0.26 118.16 125.04 2cnp n LYS 26 Ca 0.71 1.10 0.14 0.00 -2.02 0.00 0.00 58.31 58.23 2cnp n LYS 26 Cb 0.38 -1.88 0.54 0.00 -0.02 0.00 0.00 35.03 34.06 2cnp n LYS 26 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2cnp n HIS 27 N -4.87 0.00 -4.27 2.13 8.25 -1.26 -3.30 115.22 111.90 2cnp n HIS 27 Ca 0.25 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.55 2cnp n HIS 27 Cb 0.84 -0.31 -0.09 0.00 1.12 0.00 0.00 29.99 31.55 2cnp n HIS 27 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2cnp s THR 28 N -2.76 0.14 0.15 1.59 -4.23 0.64 -2.81 115.64 108.35 2cnp s THR 28 Ca 0.20 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.65 2cnp s THR 28 Cb 0.19 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.54 2cnp s THR 28 CO 0.54 0.00 0.31 0.00 -0.54 0.00 0.00 174.62 174.93 2cnp n LEU 29 N -0.46 0.00 -4.45 4.79 -0.00 -0.06 -4.52 117.00 112.30 2cnp n LEU 29 Ca 0.03 -1.00 -0.22 0.00 -0.00 0.00 0.00 56.01 54.82 2cnp n LEU 29 Cb 0.65 1.49 -0.10 0.00 -0.00 0.00 0.00 43.42 45.46 2cnp n LEU 29 CO 0.34 -0.33 -0.24 -0.94 -0.00 0.00 0.00 177.39 176.21 2cnp s SER 30 N -1.81 2.30 0.16 1.45 1.04 -1.26 -0.23 113.70 115.34 2cnp s SER 30 Ca 0.06 -1.49 -0.06 0.00 0.48 0.00 0.00 55.95 54.95 2cnp s SER 30 Cb -0.02 0.17 0.24 0.00 0.10 0.00 0.00 66.02 66.51 2cnp s SER 30 CO 0.05 -0.75 0.91 2.29 0.98 0.00 0.00 173.24 176.72 2cnp n LYS 31 N -0.73 -0.07 -0.06 4.02 2.85 -0.57 -0.32 118.16 123.28 2cnp n LYS 31 Ca -0.03 0.91 -0.10 0.00 -1.05 0.00 0.00 58.31 58.04 2cnp n LYS 31 Cb 0.66 -1.36 -0.03 0.00 -0.65 0.00 0.00 35.03 33.65 2cnp n LYS 31 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2cnp h LYS 32 N 0.00 0.32 -0.32 -1.58 3.64 -1.96 -0.57 116.57 116.09 2cnp h LYS 32 Ca 0.26 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 2cnp h LYS 32 Cb 0.41 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2cnp h LYS 32 CO -0.60 0.26 -0.17 0.93 -2.27 0.00 0.00 179.45 177.60 2cnp h GLU 33 N 0.29 0.58 0.13 1.90 3.07 -1.06 0.56 114.58 120.05 2cnp h GLU 33 Ca 0.08 -0.20 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 2cnp h GLU 33 Cb 0.02 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 2cnp h GLU 33 CO -0.02 0.73 -0.06 -0.07 -1.40 0.00 0.00 179.01 178.19 2cnp h LEU 34 N 0.53 -0.15 -0.49 1.33 3.38 -0.50 0.29 115.31 119.70 2cnp h LEU 34 Ca 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2cnp h LEU 34 Cb 0.59 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2cnp h LEU 34 CO 0.04 -0.04 0.32 0.11 0.09 0.00 0.00 178.44 178.97 2cnp h LYS 35 N -0.25 0.65 0.09 1.13 1.57 -0.91 -0.62 116.57 118.23 2cnp h LYS 35 Ca -0.02 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2cnp h LYS 35 Cb 0.20 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2cnp h LYS 35 CO 0.03 0.43 -0.29 1.49 -0.57 0.00 0.00 179.45 180.54 2cnp h GLU 36 N 0.66 -0.47 -0.08 3.15 4.81 -0.82 -0.55 114.58 121.28 2cnp h GLU 36 Ca 0.18 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2cnp h GLU 36 Cb -0.07 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2cnp h GLU 36 CO -0.04 -0.32 -0.48 -0.07 -0.73 0.00 0.00 179.01 177.38 2cnp h LEU 37 N -0.49 -1.51 -0.14 1.64 3.38 -0.02 0.87 115.31 119.04 2cnp h LEU 37 Ca 0.04 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2cnp h LEU 37 Cb 0.53 0.58 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2cnp h LEU 37 CO -0.19 -0.44 0.08 -0.29 0.09 0.00 0.00 178.44 177.69 2cnp h ILE 38 N -0.54 1.02 -0.25 1.22 2.10 -1.06 0.20 117.51 120.20 2cnp h ILE 38 Ca 0.02 -0.06 0.05 0.00 1.08 0.00 0.00 64.86 65.95 2cnp h ILE 38 Cb 0.62 0.83 -0.05 0.00 -1.09 0.00 0.00 36.82 37.13 2cnp h ILE 38 CO -0.36 0.03 -0.07 -0.61 -1.08 0.00 0.00 178.15 176.06 2cnp h GLN 39 N 0.17 -0.01 0.09 2.19 4.15 -0.73 0.10 115.11 121.08 2cnp h GLN 39 Ca 0.05 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 2cnp h GLN 39 Cb -0.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2cnp h GLN 39 CO -0.02 -0.01 -0.04 0.87 -1.93 0.00 0.00 178.83 177.69 2cnp h LYS 40 N -0.01 -0.12 0.00 1.69 6.56 -0.67 -3.38 116.57 120.63 2cnp h LYS 40 Ca 0.12 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.68 2cnp h LYS 40 Cb 0.19 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.88 2cnp h LYS 40 CO -0.26 0.38 -0.41 0.93 -2.06 0.00 0.00 179.45 178.03 2cnp h GLU 41 N -0.91 0.00 -3.07 3.15 4.39 -0.59 -3.35 114.58 114.20 2cnp h GLU 41 Ca -0.01 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.05 2cnp h GLU 41 Cb 0.55 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.80 2cnp h GLU 41 CO 0.02 0.16 -0.45 1.28 -1.16 0.00 0.00 179.01 178.86 2cnp n LEU 42 N -3.05 3.38 0.19 1.33 4.77 0.36 -4.96 117.00 119.02 2cnp n LEU 42 Ca 0.02 -5.22 -0.08 0.00 -0.03 0.00 0.00 56.01 50.70 2cnp n LEU 42 Cb 0.61 -0.83 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 2cnp n LEU 42 CO 0.37 1.74 0.37 0.71 -1.33 0.00 0.00 177.39 179.25 2cnp h THR 43 N 4.20 0.00 0.00 -5.08 1.35 -1.74 -3.42 112.91 108.23 2cnp h THR 43 Ca 0.16 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2cnp h THR 43 Cb 0.75 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 2cnp h THR 43 CO 0.76 0.00 0.00 -0.38 -0.25 0.00 0.00 175.52 175.65 2cnp n ILE 44 N -3.76 0.00 0.00 6.82 5.41 -1.26 -4.81 119.36 121.76 2cnp n ILE 44 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.69 2cnp n ILE 44 Cb 0.20 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.13 2cnp n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cnp n GLY 45 N 0.00 1.32 3.54 7.39 0.00 -1.26 -4.65 105.19 111.53 2cnp n GLY 45 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2cnp n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cnp n SER 46 N 2.82 3.08 -4.48 1.61 7.64 -1.26 -4.87 113.62 118.15 2cnp n SER 46 Ca 0.00 -2.70 -0.12 0.00 1.01 0.00 0.00 58.87 57.05 2cnp n SER 46 Cb 0.00 -1.69 -0.10 0.00 -1.01 0.00 0.00 64.21 61.41 2cnp n SER 46 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2cnp n LYS 47 N 8.17 0.20 -0.21 1.43 4.76 -1.26 -4.81 118.16 126.43 2cnp n LYS 47 Ca 0.45 -1.07 -0.04 0.00 -2.87 0.00 0.00 58.31 54.79 2cnp n LYS 47 Cb 0.46 -3.18 -0.03 0.00 -1.84 0.00 0.00 35.03 30.44 2cnp n LYS 47 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2cnp n LEU 48 N 16.12 -0.48 -3.55 -0.35 4.77 -1.26 -4.71 117.00 127.53 2cnp n LEU 48 Ca 0.39 0.91 -0.09 0.00 -0.03 0.00 0.00 56.01 57.19 2cnp n LEU 48 Cb 0.43 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 2cnp n LEU 48 CO 0.61 -0.76 0.53 -1.58 -1.33 0.00 0.00 177.39 174.85 2cnp s GLN 49 N -5.33 1.22 0.25 3.23 -0.44 -1.26 -5.07 119.66 112.26 2cnp s GLN 49 Ca -0.06 -0.52 0.09 0.00 -2.50 0.00 0.00 55.36 52.36 2cnp s GLN 49 Cb 0.07 0.51 0.78 0.00 -1.64 0.00 0.00 33.01 32.73 2cnp s GLN 49 CO 0.33 -0.54 1.13 -0.25 0.50 0.00 0.00 175.29 176.46 2cnp n ASP 50 N -0.36 0.10 -0.18 6.67 9.92 -1.26 -3.17 116.55 128.27 2cnp n ASP 50 Ca -0.11 1.20 -0.05 0.00 -0.53 0.00 0.00 54.79 55.30 2cnp n ASP 50 Cb 0.63 -0.52 -0.04 0.00 -0.64 0.00 0.00 41.12 40.54 2cnp n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cnp n ALA 51 N -2.84 -0.27 -0.17 2.24 0.00 -1.26 -0.35 120.51 117.86 2cnp n ALA 51 Ca 0.23 0.36 -0.05 0.00 0.00 0.00 0.00 53.44 53.98 2cnp n ALA 51 Cb 0.76 -0.04 0.13 0.00 0.00 0.00 0.00 19.45 20.30 2cnp n ALA 51 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2cnp h GLU 52 N 0.00 0.93 0.47 0.00 4.81 -1.87 0.11 114.58 119.03 2cnp h GLU 52 Ca 0.07 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 2cnp h GLU 52 Cb 0.17 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2cnp h GLU 52 CO -0.40 0.86 -0.22 0.82 -0.73 0.00 0.00 179.01 179.34 2cnp h ILE 53 N 0.88 0.54 -0.45 2.32 5.03 -0.92 -3.08 117.51 121.84 2cnp h ILE 53 Ca 0.18 -0.14 0.09 0.00 -0.12 0.00 0.00 64.86 64.87 2cnp h ILE 53 Cb 0.38 0.60 -0.08 0.00 -3.03 0.00 0.00 36.82 34.69 2cnp h ILE 53 CO 0.01 0.03 -0.08 0.58 -0.68 0.00 0.00 178.15 178.00 2cnp h VAL 54 N -0.71 0.58 -0.55 1.67 2.07 -0.35 -2.25 116.25 116.71 2cnp h VAL 54 Ca -0.06 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.55 2cnp h VAL 54 Cb 0.52 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 2cnp h VAL 54 CO 0.10 0.01 0.07 0.11 0.02 0.00 0.00 177.57 177.88 2cnp h LYS 55 N 0.03 0.19 -0.68 1.57 1.79 -0.71 0.36 116.57 119.11 2cnp h LYS 55 Ca 0.22 -0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.75 2cnp h LYS 55 Cb 0.33 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.90 2cnp h LYS 55 CO -0.44 0.12 0.45 -0.07 -1.08 0.00 0.00 179.45 178.44 2cnp h LEU 56 N 0.19 0.59 0.00 2.94 3.38 -1.33 0.10 115.31 121.19 2cnp h LEU 56 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2cnp h LEU 56 Cb 0.42 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2cnp h LEU 56 CO -0.41 0.38 -0.01 0.24 0.09 0.00 0.00 178.44 178.73 2cnp h MET 57 N 0.67 0.00 -1.00 1.13 2.86 -1.07 -3.38 114.93 114.14 2cnp h MET 57 Ca 0.30 0.00 0.40 0.00 -2.06 0.00 0.00 59.70 58.34 2cnp h MET 57 Cb 0.31 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 31.80 2cnp h MET 57 CO -0.10 0.00 0.52 0.22 1.06 0.00 0.00 176.91 178.61 2cnp h ASP 58 N -0.71 0.30 -0.93 1.22 3.58 -0.25 -0.26 116.42 119.37 2cnp h ASP 58 Ca 0.00 0.25 0.23 0.00 0.42 0.00 0.00 57.03 57.94 2cnp h ASP 58 Cb 0.01 0.27 -0.17 0.00 1.72 0.00 0.00 39.33 41.15 2cnp h ASP 58 CO 0.00 -0.40 -0.05 -0.67 -2.88 0.00 0.00 179.24 175.24 2cnp n ASP 59 N -5.25 -0.17 0.07 2.28 2.03 0.35 -0.32 116.55 115.54 2cnp n ASP 59 Ca 0.36 1.58 -0.12 0.00 0.52 0.00 0.00 54.79 57.14 2cnp n ASP 59 Cb 1.23 -0.55 -0.06 0.00 -0.72 0.00 0.00 41.12 41.02 2cnp n ASP 59 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2cnp h LEU 60 N 0.00 -0.33 -0.49 -2.67 -0.00 -1.28 0.12 115.31 110.66 2cnp h LEU 60 Ca 0.53 0.04 -0.16 0.00 -0.00 0.00 0.00 57.88 58.29 2cnp h LEU 60 Cb 1.02 0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.79 2cnp h LEU 60 CO -0.90 -0.18 -0.75 -0.78 -0.00 0.00 0.00 178.44 175.84 2cnp h ASP 61 N -0.23 0.13 0.33 -0.43 3.58 -1.17 -3.11 116.42 115.52 2cnp h ASP 61 Ca 0.03 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2cnp h ASP 61 Cb 0.25 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2cnp h ASP 61 CO -0.08 0.83 -0.16 -0.09 -2.88 0.00 0.00 179.24 176.85 2cnp h ARG 62 N 0.07 -0.43 -2.26 0.28 2.43 -0.48 -3.30 114.38 110.69 2cnp h ARG 62 Ca -0.02 0.03 -0.40 0.00 -0.81 0.00 0.00 59.98 58.78 2cnp h ARG 62 Cb 1.31 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.88 2cnp h ARG 62 CO 0.11 -0.19 0.91 0.09 -1.51 0.00 0.00 179.97 179.37 2cnp n ASN 63 N -5.22 6.49 -0.30 -3.80 3.02 0.39 -4.48 115.26 111.35 2cnp n ASN 63 Ca -0.10 -2.71 -0.01 0.00 -0.03 0.00 0.00 54.58 51.73 2cnp n ASN 63 Cb 0.24 -1.40 0.12 0.00 -0.61 0.00 0.00 39.78 38.12 2cnp n ASN 63 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2cnp h LYS 64 N 3.56 0.97 0.00 3.52 1.57 -1.65 0.63 116.57 125.16 2cnp h LYS 64 Ca 0.42 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2cnp h LYS 64 Cb 0.99 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2cnp h LYS 64 CO 0.80 0.64 0.00 -0.25 -0.57 0.00 0.00 179.45 180.07 2cnp n ASP 65 N -4.60 0.00 0.00 0.86 9.92 -1.26 -4.90 116.55 116.58 2cnp n ASP 65 Ca 0.11 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 2cnp n ASP 65 Cb 0.12 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 2cnp n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cnp n GLN 66 N -1.29 0.00 -2.82 -1.24 1.13 0.21 -4.85 117.38 108.53 2cnp n GLN 66 Ca 0.05 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.82 2cnp n GLN 66 Cb 0.09 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.42 2cnp n GLN 66 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2cnp s GLU 67 N 0.00 3.67 0.07 -1.09 8.01 -1.26 -1.52 118.70 126.58 2cnp s GLU 67 Ca 0.00 0.32 -0.05 0.00 0.01 0.00 0.00 54.97 55.25 2cnp s GLU 67 Cb 0.00 -2.41 -0.02 0.00 -4.31 0.00 0.00 34.13 27.39 2cnp s GLU 67 CO 0.00 -0.08 0.09 0.14 0.01 0.00 0.00 175.26 175.43 2cnp s VAL 68 N -2.48 0.17 0.44 2.63 -7.23 0.68 -4.93 120.40 109.67 2cnp s VAL 68 Ca 0.49 -1.44 0.08 0.00 -1.81 0.00 0.00 61.98 59.30 2cnp s VAL 68 Cb -0.10 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.45 2cnp s VAL 68 CO 0.36 -0.80 0.56 0.54 -0.31 0.00 0.00 175.10 175.46 2cnp s ASN 69 N -2.85 5.51 0.08 4.85 2.20 -1.26 -0.88 114.94 122.58 2cnp s ASN 69 Ca 0.05 -0.51 -0.15 0.00 -0.94 0.00 0.00 52.86 51.31 2cnp s ASN 69 Cb 0.06 -0.54 -0.03 0.00 -2.00 0.00 0.00 41.25 38.73 2cnp s ASN 69 CO -0.10 -0.81 1.02 0.33 -2.94 0.00 0.00 177.10 174.61 2cnp n PHE 70 N -1.85 -0.22 0.20 1.54 7.35 -1.13 -0.90 117.46 122.46 2cnp n PHE 70 Ca 0.08 0.62 0.04 0.00 -0.76 0.00 0.00 57.45 57.44 2cnp n PHE 70 Cb 0.60 -0.50 0.42 0.00 0.35 0.00 0.00 39.48 40.35 2cnp n PHE 70 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 2cnp h GLN 71 N 0.00 0.00 -0.44 -4.13 5.75 -1.96 0.14 115.11 114.47 2cnp h GLN 71 Ca 0.08 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.52 2cnp h GLN 71 Cb 0.20 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 2cnp h GLN 71 CO -0.47 0.32 0.04 0.93 -2.65 0.00 0.00 178.83 177.00 2cnp h GLU 72 N 0.00 0.75 -0.33 1.69 5.08 -1.61 0.36 114.58 120.52 2cnp h GLU 72 Ca -0.00 -0.22 0.06 0.00 -1.00 0.00 0.00 59.36 58.20 2cnp h GLU 72 Cb 0.60 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 2cnp h GLU 72 CO 0.04 0.80 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.91 2cnp h TYR 73 N 0.60 -0.06 -0.44 4.33 3.20 0.35 0.17 116.97 125.13 2cnp h TYR 73 Ca 0.13 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.06 2cnp h TYR 73 Cb 0.44 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 2cnp h TYR 73 CO 0.03 -0.08 0.29 0.82 -1.64 0.00 0.00 178.16 177.59 2cnp h ILE 74 N 0.07 1.02 -0.01 1.81 1.08 -0.40 0.32 117.51 121.40 2cnp h ILE 74 Ca 0.16 -0.16 -0.11 0.00 -0.39 0.00 0.00 64.86 64.36 2cnp h ILE 74 Cb 0.23 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 2cnp h ILE 74 CO -0.29 0.08 -0.52 0.74 -0.69 0.00 0.00 178.15 177.47 2cnp h THR 75 N 0.45 1.38 0.53 -0.27 2.02 0.12 0.37 112.91 117.51 2cnp h THR 75 Ca 0.18 -1.80 -0.03 0.00 0.77 0.00 0.00 66.41 65.54 2cnp h THR 75 Cb 0.16 1.96 0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2cnp h THR 75 CO -0.04 0.52 -0.25 0.15 0.37 0.00 0.00 175.52 176.26 2cnp h PHE 76 N 0.02 -0.66 -0.84 3.16 3.57 0.13 0.13 116.94 122.46 2cnp h PHE 76 Ca -0.00 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 2cnp h PHE 76 Cb 0.93 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 2cnp h PHE 76 CO 0.00 -0.38 0.41 -0.07 -2.23 0.00 0.00 178.31 176.03 2cnp h LEU 77 N -0.76 1.10 -0.46 0.59 3.38 -1.14 -0.32 115.31 117.69 2cnp h LEU 77 Ca -0.07 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2cnp h LEU 77 Cb 0.57 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2cnp h LEU 77 CO 0.12 0.92 0.13 1.23 0.09 0.00 0.00 178.44 180.93 2cnp h GLY 78 N 1.19 0.79 0.88 0.83 0.00 -0.22 0.68 103.07 107.22 2cnp h GLY 78 Ca 0.29 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 2cnp h GLY 78 CO -0.04 0.45 0.07 0.00 0.00 0.00 0.00 176.54 177.02 2cnp h ALA 79 N 0.99 0.23 -0.18 3.60 0.00 -0.47 0.15 119.26 123.58 2cnp h ALA 79 Ca 0.15 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2cnp h ALA 79 Cb 0.30 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 2cnp h ALA 79 CO -0.00 -0.18 -0.51 1.25 0.00 0.00 0.00 179.25 179.82 2cnp h LEU 80 N 0.12 -1.61 -0.30 0.00 5.85 -0.88 0.98 115.31 119.47 2cnp h LEU 80 Ca 0.06 0.20 0.07 0.00 0.84 0.00 0.00 57.88 59.05 2cnp h LEU 80 Cb 0.18 0.64 -0.08 0.00 0.37 0.00 0.00 40.66 41.78 2cnp h LEU 80 CO -0.00 -0.46 -0.30 0.00 -0.34 0.00 0.00 178.44 177.34 2cnp h ALA 81 N -0.11 -0.20 -0.13 1.25 0.00 -0.70 -1.51 119.26 117.86 2cnp h ALA 81 Ca 0.06 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2cnp h ALA 81 Cb 0.66 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2cnp h ALA 81 CO -0.45 -0.72 -0.01 1.98 0.00 0.00 0.00 179.25 180.04 2cnp h MET 82 N -0.28 0.03 -0.03 0.00 1.85 -0.31 0.22 114.93 116.40 2cnp h MET 82 Ca 0.15 -0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.23 2cnp h MET 82 Cb 0.52 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.54 2cnp h MET 82 CO -0.46 0.02 0.01 0.82 -0.40 0.00 0.00 176.91 176.90 2cnp h ILE 83 N 0.03 1.14 0.17 1.77 2.04 -0.36 -3.27 117.51 119.03 2cnp h ILE 83 Ca 0.06 -0.41 -0.30 0.00 1.00 0.00 0.00 64.86 65.21 2cnp h ILE 83 Cb 0.08 1.35 0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2cnp h ILE 83 CO -0.11 0.11 -1.32 0.10 0.00 0.00 0.00 178.15 176.93 2cnp h TYR 84 N -0.11 0.77 -0.54 1.37 -0.00 -1.24 -3.34 116.97 113.88 2cnp h TYR 84 Ca 0.01 -0.54 -0.70 0.00 0.00 0.00 0.00 58.73 57.50 2cnp h TYR 84 Cb 0.17 -0.04 -0.07 0.00 0.00 0.00 0.00 36.73 36.79 2cnp h TYR 84 CO -0.02 1.41 2.59 0.09 -0.00 0.00 0.00 178.16 182.24 2cnp n ASN 85 N -3.65 4.47 -0.34 0.10 3.02 0.77 -4.79 115.26 114.84 2cnp n ASN 85 Ca -0.12 -2.89 0.32 0.00 -0.03 0.00 0.00 54.58 51.85 2cnp n ASN 85 Cb 1.04 -1.69 0.67 0.00 -0.61 0.00 0.00 39.78 39.19 2cnp n ASN 85 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2cnp h GLU 86 N 6.78 0.12 -1.10 3.52 5.08 -1.69 0.13 114.58 127.41 2cnp h GLU 86 Ca 0.50 -0.01 0.42 0.00 -1.00 0.00 0.00 59.36 59.27 2cnp h GLU 86 Cb 0.76 -0.03 -0.16 0.00 0.50 0.00 0.00 28.75 29.82 2cnp h GLU 86 CO 1.65 0.08 0.64 0.00 -1.00 0.00 0.00 179.01 180.38 2cnp h ALA 87 N 1.48 2.32 -0.39 3.43 0.00 -1.86 -0.98 119.26 123.26 2cnp h ALA 87 Ca 0.61 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.73 2cnp h ALA 87 Cb 2.10 0.28 0.00 0.00 0.00 0.00 0.00 17.79 20.17 2cnp h ALA 87 CO -0.13 -1.06 0.00 1.28 0.00 0.00 0.00 179.25 179.35 2cnp n LEU 88 N -5.08 2.64 -4.52 0.00 4.77 0.44 -4.88 117.00 110.37 2cnp n LEU 88 Ca 0.38 -1.32 -0.23 0.00 -0.03 0.00 0.00 56.01 54.80 2cnp n LEU 88 Cb 1.32 -0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 41.95 2cnp n LEU 88 CO 0.07 0.53 1.35 0.29 -1.33 0.00 0.00 177.39 178.30 2cnp n LYS 89 N 0.61 0.95 0.00 3.23 4.76 -0.37 -4.91 118.16 122.43 2cnp n LYS 89 Ca 0.14 -2.11 0.00 0.00 -2.87 0.00 0.00 58.31 53.48 2cnp n LYS 89 Cb 0.47 -3.76 0.00 0.00 -1.84 0.00 0.00 35.03 29.90 2cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44