#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cnp s ALA 2 N 0.00 2.08 0.97 -5.12 0.00 -1.26 -4.96 121.76 113.47 2cnp s ALA 2 Ca 0.00 -2.31 -0.13 0.00 0.00 0.00 0.00 51.96 49.53 2cnp s ALA 2 Cb 0.00 -4.67 0.09 0.00 0.00 0.00 0.00 23.12 18.54 2cnp s ALA 2 CO 0.00 -4.89 0.60 0.43 0.00 0.00 0.00 175.76 171.90 2cnp n SER 3 N 13.32 -1.45 -0.19 0.00 7.64 -1.26 -4.54 113.62 127.13 2cnp n SER 3 Ca 0.46 0.28 -0.01 0.00 1.01 0.00 0.00 58.87 60.60 2cnp n SER 3 Cb 0.46 -1.26 0.07 0.00 -1.01 0.00 0.00 64.21 62.48 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 -1.78 0.04 -0.49 1.43 0.11 -1.99 0.97 132.00 130.29 2cnp h PRO 4 Ca -0.46 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.68 2cnp h PRO 4 Cb 1.29 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 2cnp h PRO 4 CO 0.37 0.03 0.28 -0.07 -0.21 0.00 0.00 178.00 178.41 2cnp h LEU 5 N 0.05 0.45 -0.46 2.35 3.38 -1.99 0.08 115.31 119.17 2cnp h LEU 5 Ca 0.29 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.31 2cnp h LEU 5 Cb 0.46 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2cnp h LEU 5 CO -0.56 0.32 0.24 -0.78 0.09 0.00 0.00 178.44 177.74 2cnp h ASP 6 N 0.56 0.36 -0.09 -0.43 3.58 -1.22 0.22 116.42 119.41 2cnp h ASP 6 Ca 0.20 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 2cnp h ASP 6 Cb 0.04 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.04 2cnp h ASP 6 CO -0.10 0.25 0.05 -0.61 -2.88 0.00 0.00 179.24 175.95 2cnp h GLN 7 N 0.48 0.12 -0.21 0.28 5.75 -0.70 0.19 115.11 121.02 2cnp h GLN 7 Ca 0.20 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 2cnp h GLN 7 Cb 0.09 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 2cnp h GLN 7 CO -0.13 0.14 0.04 0.00 -2.65 0.00 0.00 178.83 176.23 2cnp h ALA 8 N 0.98 0.28 -0.06 3.38 0.00 -0.48 0.16 119.26 123.52 2cnp h ALA 8 Ca 0.03 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2cnp h ALA 8 Cb 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2cnp h ALA 8 CO -0.01 -0.05 -0.24 0.82 0.00 0.00 0.00 179.25 179.78 2cnp h ILE 9 N 0.15 0.44 -0.78 0.00 2.04 -0.60 -1.28 117.51 117.48 2cnp h ILE 9 Ca 0.06 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.11 2cnp h ILE 9 Cb 0.31 0.44 -0.14 0.00 -0.74 0.00 0.00 36.82 36.70 2cnp h ILE 9 CO 0.00 0.00 0.02 1.23 0.00 0.00 0.00 178.15 179.40 2cnp h GLY 10 N -0.33 0.90 0.61 5.37 0.00 -0.13 0.18 103.07 109.65 2cnp h GLY 10 Ca 0.08 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 2cnp h GLY 10 CO -0.26 -0.30 -0.38 1.41 0.00 0.00 0.00 176.54 177.01 2cnp h LEU 11 N 0.11 -1.03 -0.68 3.11 3.38 -0.08 0.15 115.31 120.27 2cnp h LEU 11 Ca 0.43 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.54 2cnp h LEU 11 Cb 0.78 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 2cnp h LEU 11 CO -0.68 -0.53 0.39 -0.07 0.09 0.00 0.00 178.44 177.65 2cnp h LEU 12 N -0.78 0.61 0.36 1.67 4.07 0.09 0.94 115.31 122.27 2cnp h LEU 12 Ca -0.03 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 2cnp h LEU 12 Cb 0.70 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 2cnp h LEU 12 CO -0.06 0.40 -0.42 0.40 -1.08 0.00 0.00 178.44 177.68 2cnp h ILE 13 N 0.74 0.16 -0.32 1.22 2.04 -0.65 -1.11 117.51 119.59 2cnp h ILE 13 Ca 0.29 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.21 2cnp h ILE 13 Cb 0.13 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.30 2cnp h ILE 13 CO -0.15 0.00 -0.08 1.23 0.00 0.00 0.00 178.15 179.15 2cnp h GLY 14 N -0.82 0.23 0.26 5.37 0.00 -0.04 0.11 103.07 108.19 2cnp h GLY 14 Ca -0.03 0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.48 2cnp h GLY 14 CO -0.10 -0.12 -0.06 -2.22 0.00 0.00 0.00 176.54 174.04 2cnp h ILE 15 N 0.00 0.64 0.47 2.60 1.08 -0.79 0.14 117.51 121.65 2cnp h ILE 15 Ca 0.15 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.60 2cnp h ILE 15 Cb 0.23 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 2cnp h ILE 15 CO -0.32 0.01 -0.39 0.15 -0.69 0.00 0.00 178.15 176.91 2cnp h PHE 16 N 0.04 -1.04 -0.74 1.37 3.57 0.15 -3.10 116.94 117.18 2cnp h PHE 16 Ca 0.19 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.72 2cnp h PHE 16 Cb 0.29 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 2cnp h PHE 16 CO -0.32 -0.55 0.49 1.25 -2.23 0.00 0.00 178.31 176.94 2cnp h HIS 17 N -0.85 0.89 -0.98 0.41 2.76 -0.38 0.16 115.15 117.15 2cnp h HIS 17 Ca -0.05 0.02 0.27 0.00 -2.20 0.00 0.00 60.37 58.42 2cnp h HIS 17 Cb 0.73 -0.30 -0.14 0.00 1.55 0.00 0.00 27.41 29.26 2cnp h HIS 17 CO -0.18 0.53 0.52 -0.22 -1.30 0.00 0.00 177.93 177.28 2cnp h LYS 18 N 0.93 0.40 0.00 5.26 3.64 -0.65 0.45 116.57 126.60 2cnp h LYS 18 Ca 0.29 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 2cnp h LYS 18 Cb 0.00 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2cnp h LYS 18 CO -0.08 0.27 -0.90 0.66 -2.27 0.00 0.00 179.45 177.13 2cnp n TYR 19 N -5.01 0.33 -0.31 1.91 4.02 -0.81 -4.64 117.16 112.65 2cnp n TYR 19 Ca 0.28 0.14 0.14 0.00 -0.01 0.00 0.00 57.90 58.45 2cnp n TYR 19 Cb 0.82 -0.62 0.32 0.00 -0.02 0.00 0.00 39.34 39.84 2cnp n TYR 19 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2cnp h SER 20 N -1.00 0.38 -0.94 7.72 0.02 -0.63 0.04 113.55 119.14 2cnp h SER 20 Ca -0.03 0.15 0.22 0.00 -0.84 0.00 0.00 61.79 61.29 2cnp h SER 20 Cb 0.87 0.12 -0.18 0.00 0.14 0.00 0.00 62.40 63.35 2cnp h SER 20 CO -0.02 0.00 -0.12 0.61 -1.14 0.00 0.00 176.83 176.16 2cnp n GLY 21 N -1.33 -1.44 0.25 -3.77 0.00 0.14 -0.74 105.19 98.29 2cnp n GLY 21 Ca 0.23 0.97 0.05 0.00 0.00 0.00 0.00 46.02 47.27 2cnp n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cnp h LYS 22 N 0.00 0.12 -0.00 1.61 6.56 -1.21 -1.73 116.57 121.93 2cnp h LYS 22 Ca 0.50 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 60.08 2cnp h LYS 22 Cb 0.90 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.54 2cnp h LYS 22 CO -0.93 0.19 0.00 0.39 -2.06 0.00 0.00 179.45 177.05 2cnp n GLU 23 N -4.40 1.01 0.00 3.15 4.71 0.08 -4.92 120.64 120.27 2cnp n GLU 23 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 2cnp n GLU 23 Cb 0.18 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 2cnp n GLU 23 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2cnp n GLY 24 N 0.99 1.49 2.39 0.62 0.00 -0.65 -4.54 105.19 105.50 2cnp n GLY 24 Ca 0.24 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 2cnp n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2cnp n ASP 25 N 3.61 7.86 0.00 1.61 2.03 -1.26 -4.72 116.55 125.68 2cnp n ASP 25 Ca 0.00 -2.54 0.01 0.00 0.52 0.00 0.00 54.79 52.78 2cnp n ASP 25 Cb 0.00 -1.48 0.06 0.00 -0.72 0.00 0.00 41.12 38.98 2cnp n ASP 25 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2cnp n LYS 26 N 3.82 0.48 0.21 -0.67 2.85 -1.26 -1.06 118.16 122.53 2cnp n LYS 26 Ca 0.72 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 58.10 2cnp n LYS 26 Cb 0.22 -1.07 0.20 0.00 -0.65 0.00 0.00 35.03 33.73 2cnp n LYS 26 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2cnp h HIS 27 N 0.00 0.00 -3.56 5.58 3.86 -1.87 -3.42 115.15 115.75 2cnp h HIS 27 Ca 0.00 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.90 2cnp h HIS 27 Cb 0.00 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 28.31 2cnp h HIS 27 CO 0.00 0.00 -0.72 0.95 0.86 0.00 0.00 177.93 179.02 2cnp s THR 28 N -3.20 1.03 0.38 2.45 -4.23 -0.22 -1.21 115.64 110.63 2cnp s THR 28 Ca 0.07 -1.92 -0.16 0.00 -1.18 0.00 0.00 61.69 58.50 2cnp s THR 28 Cb 0.06 -1.69 0.06 0.00 1.34 0.00 0.00 72.50 72.27 2cnp s THR 28 CO 0.66 -0.71 0.80 -1.48 -0.54 0.00 0.00 174.62 173.35 2cnp s LEU 29 N -2.94 -0.00 0.00 4.79 0.05 -0.46 -4.84 118.68 115.28 2cnp s LEU 29 Ca 0.13 -1.12 0.00 0.00 0.05 0.00 0.00 54.13 53.19 2cnp s LEU 29 Cb 0.01 2.82 0.00 0.00 -2.05 0.00 0.00 46.19 46.97 2cnp s LEU 29 CO -0.00 -1.66 0.00 -0.24 -0.55 0.00 0.00 176.35 173.90 2cnp n SER 30 N -1.38 0.56 -0.12 1.48 2.88 -1.26 0.25 113.62 116.02 2cnp n SER 30 Ca -0.08 -0.85 -0.06 0.00 -1.33 0.00 0.00 58.87 56.55 2cnp n SER 30 Cb 0.60 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.06 2cnp n SER 30 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2cnp h LYS 31 N 0.00 -0.19 -0.46 -1.46 2.10 -1.86 0.20 116.57 114.90 2cnp h LYS 31 Ca 0.00 0.01 0.08 0.00 -2.00 0.00 0.00 60.65 58.74 2cnp h LYS 31 Cb 0.00 0.04 -0.06 0.00 -0.90 0.00 0.00 32.23 31.31 2cnp h LYS 31 CO 0.00 -0.13 0.09 -0.22 -2.00 0.00 0.00 179.45 177.19 2cnp h LYS 32 N -0.20 0.22 -0.81 0.07 1.63 -1.98 0.16 116.57 115.65 2cnp h LYS 32 Ca 0.19 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 2cnp h LYS 32 Cb 0.50 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.05 2cnp h LYS 32 CO -0.53 0.14 0.34 0.93 -3.45 0.00 0.00 179.45 176.89 2cnp h GLU 33 N 0.22 1.20 -0.08 1.90 3.07 -1.67 0.21 114.58 119.43 2cnp h GLU 33 Ca 0.23 -0.21 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2cnp h GLU 33 Cb 0.30 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2cnp h GLU 33 CO -0.30 0.96 0.05 -0.07 -1.40 0.00 0.00 179.01 178.24 2cnp h LEU 34 N 1.18 0.10 -0.38 1.33 4.07 0.07 0.20 115.31 121.89 2cnp h LEU 34 Ca 0.27 -0.08 0.05 0.00 0.08 0.00 0.00 57.88 58.20 2cnp h LEU 34 Cb 0.20 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.86 2cnp h LEU 34 CO -0.03 0.16 0.10 0.11 -1.08 0.00 0.00 178.44 177.71 2cnp h LYS 35 N 0.04 0.24 0.27 1.13 1.57 -0.45 -0.13 116.57 119.24 2cnp h LYS 35 Ca 0.03 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2cnp h LYS 35 Cb 0.08 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2cnp h LYS 35 CO -0.00 0.16 -0.38 0.93 -0.57 0.00 0.00 179.45 179.58 2cnp h GLU 36 N 0.24 -0.69 -0.33 3.15 5.08 -0.81 0.28 114.58 121.50 2cnp h GLU 36 Ca 0.18 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 2cnp h GLU 36 Cb 0.18 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 2cnp h GLU 36 CO -0.21 -0.46 -0.53 -0.07 -1.00 0.00 0.00 179.01 176.74 2cnp h LEU 37 N -0.71 -1.76 0.08 1.33 3.38 -0.07 0.20 115.31 117.76 2cnp h LEU 37 Ca -0.01 0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2cnp h LEU 37 Cb 0.68 0.71 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2cnp h LEU 37 CO -0.13 -0.40 -0.04 -0.29 0.09 0.00 0.00 178.44 177.67 2cnp h ILE 38 N -0.42 1.01 -0.26 1.22 2.10 -0.99 0.15 117.51 120.33 2cnp h ILE 38 Ca 0.06 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.70 2cnp h ILE 38 Cb 0.59 1.21 -0.01 0.00 -1.09 0.00 0.00 36.82 37.51 2cnp h ILE 38 CO -0.54 0.08 0.17 -0.61 -1.08 0.00 0.00 178.15 176.17 2cnp h GLN 39 N -0.24 0.34 0.12 2.19 4.15 -0.59 0.17 115.11 121.25 2cnp h GLN 39 Ca -0.01 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2cnp h GLN 39 Cb 0.20 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.82 2cnp h GLN 39 CO 0.02 0.23 -0.06 0.87 -1.93 0.00 0.00 178.83 177.96 2cnp h LYS 40 N 0.35 -0.15 0.00 1.69 6.56 -0.60 -3.28 116.57 121.14 2cnp h LYS 40 Ca 0.10 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 2cnp h LYS 40 Cb -0.04 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2cnp h LYS 40 CO -0.02 0.23 -0.46 0.93 -2.06 0.00 0.00 179.45 178.06 2cnp h GLU 41 N -0.96 0.00 -2.29 3.15 4.39 -0.72 -3.25 114.58 114.90 2cnp h GLU 41 Ca -0.02 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.06 2cnp h GLU 41 Cb 0.45 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.70 2cnp h GLU 41 CO 0.03 0.00 -0.39 1.28 -1.16 0.00 0.00 179.01 178.77 2cnp n LEU 42 N -2.81 4.78 0.00 1.33 4.77 0.60 -4.99 117.00 120.67 2cnp n LEU 42 Ca 0.02 -5.60 0.00 0.00 -0.03 0.00 0.00 56.01 50.40 2cnp n LEU 42 Cb 0.53 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2cnp n LEU 42 CO 0.36 2.25 0.32 0.35 -1.33 0.00 0.00 177.39 179.35 2cnp n THR 43 N -0.00 0.00 0.00 -5.08 -2.24 -1.23 -4.59 114.28 101.14 2cnp n THR 43 Ca 0.33 1.02 0.00 0.00 -2.27 0.00 0.00 64.05 63.12 2cnp n THR 43 Cb 0.38 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 2cnp n THR 43 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2cnp n ILE 44 N -2.23 0.00 0.00 2.28 5.41 -1.26 -4.81 119.36 118.75 2cnp n ILE 44 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2cnp n ILE 44 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 1.08 3.38 7.39 0.00 -1.26 -4.72 105.19 111.05 2cnp n GLY 45 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 2.47 2.47 -3.30 1.61 7.64 -1.26 -4.86 113.62 118.38 2cnp n SER 46 Ca 0.00 -2.65 -0.20 0.00 1.01 0.00 0.00 58.87 57.03 2cnp n SER 46 Cb 0.00 -1.34 -0.15 0.00 -1.01 0.00 0.00 64.21 61.70 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 7.72 0.00 -1.60 1.43 4.76 -1.26 -4.72 118.16 124.49 2cnp n LYS 47 Ca 0.47 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.48 2cnp n LYS 47 Cb 0.44 -0.83 -0.03 0.00 -1.84 0.00 0.00 35.03 32.76 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 5.02 3.21 0.00 -0.35 4.77 -1.26 -4.58 117.00 123.81 2cnp n LEU 48 Ca 0.50 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 2cnp n LEU 48 Cb 0.08 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.62 2cnp n LEU 48 CO 0.78 -0.72 0.00 1.67 -1.33 0.00 0.00 177.39 177.79 2cnp n GLN 49 N 8.77 0.00 0.00 3.23 7.27 -1.26 -3.64 117.38 131.75 2cnp n GLN 49 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.37 2cnp n GLN 49 Cb 0.45 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.10 2cnp n GLN 49 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2cnp n ASP 50 N 1.36 0.00 -0.33 1.69 2.03 -1.26 -4.99 116.55 115.05 2cnp n ASP 50 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 2cnp n ASP 50 Cb 0.00 0.22 -0.06 0.00 -0.72 0.00 0.00 41.12 40.56 2cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cnp n ALA 51 N -1.99 -0.44 -0.33 -1.67 0.00 -1.24 -0.51 120.51 114.33 2cnp n ALA 51 Ca 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 53.44 54.11 2cnp n ALA 51 Cb 0.00 -0.16 0.10 0.00 0.00 0.00 0.00 19.45 19.40 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 1.24 0.35 0.00 4.81 -1.90 0.14 114.58 119.22 2cnp h GLU 52 Ca 0.16 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2cnp h GLU 52 Cb 0.36 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2cnp h GLU 52 CO -0.77 0.90 -0.17 0.82 -0.73 0.00 0.00 179.01 179.07 2cnp h ILE 53 N 1.25 0.65 -0.82 2.32 5.03 -1.08 -0.24 117.51 124.62 2cnp h ILE 53 Ca 0.32 -0.45 0.07 0.00 -0.12 0.00 0.00 64.86 64.68 2cnp h ILE 53 Cb 0.01 0.88 -0.06 0.00 -3.03 0.00 0.00 36.82 34.61 2cnp h ILE 53 CO -0.05 0.09 0.50 0.58 -0.68 0.00 0.00 178.15 178.58 2cnp h VAL 54 N -0.72 1.01 0.14 1.67 2.07 -0.73 -1.53 116.25 118.16 2cnp h VAL 54 Ca -0.05 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.18 2cnp h VAL 54 Cb 0.50 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2cnp h VAL 54 CO 0.08 0.16 -0.25 0.11 0.02 0.00 0.00 177.57 177.69 2cnp h LYS 55 N 0.90 -0.45 -0.98 1.57 6.56 -0.48 0.35 116.57 124.03 2cnp h LYS 55 Ca 0.37 0.03 0.15 0.00 -1.06 0.00 0.00 60.65 60.14 2cnp h LYS 55 Cb 0.21 0.10 -0.09 0.00 -0.57 0.00 0.00 32.23 31.88 2cnp h LYS 55 CO -0.19 -0.30 0.62 -0.07 -2.06 0.00 0.00 179.45 177.45 2cnp h LEU 56 N -0.47 0.82 0.23 2.94 3.38 -0.26 0.71 115.31 122.66 2cnp h LEU 56 Ca 0.02 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2cnp h LEU 56 Cb 0.48 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2cnp h LEU 56 CO -0.12 0.38 -0.11 0.24 0.09 0.00 0.00 178.44 178.92 2cnp h MET 57 N 0.85 -0.30 -1.00 1.13 2.86 -0.89 -3.35 114.93 114.23 2cnp h MET 57 Ca 0.52 0.02 0.35 0.00 -2.06 0.00 0.00 59.70 58.53 2cnp h MET 57 Cb 0.70 0.07 -0.16 0.00 0.06 0.00 0.00 31.60 32.26 2cnp h MET 57 CO -0.29 -0.20 0.55 0.22 1.06 0.00 0.00 176.91 178.25 2cnp h ASP 58 N -0.82 0.44 -0.99 1.22 3.58 -0.11 0.92 116.42 120.66 2cnp h ASP 58 Ca -0.03 0.21 0.25 0.00 0.42 0.00 0.00 57.03 57.88 2cnp h ASP 58 Cb 0.24 0.18 -0.19 0.00 1.72 0.00 0.00 39.33 41.28 2cnp h ASP 58 CO 0.05 -0.23 -0.08 -0.67 -2.88 0.00 0.00 179.24 175.44 2cnp n ASP 59 N -5.12 -0.20 0.03 2.28 2.03 0.23 -0.14 116.55 115.65 2cnp n ASP 59 Ca 0.33 1.69 -0.02 0.00 0.52 0.00 0.00 54.79 57.31 2cnp n ASP 59 Cb 1.07 -0.58 0.24 0.00 -0.72 0.00 0.00 41.12 41.13 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 0.44 0.06 -2.67 4.07 -1.00 0.03 115.31 116.24 2cnp h LEU 60 Ca 0.56 -0.13 -0.00 0.00 0.08 0.00 0.00 57.88 58.38 2cnp h LEU 60 Cb 1.05 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.67 2cnp h LEU 60 CO -0.96 0.66 -0.03 0.44 -1.08 0.00 0.00 178.44 177.47 2cnp h ASP 61 N 0.40 -0.06 -0.64 -0.43 3.32 -0.63 -0.68 116.42 117.70 2cnp h ASP 61 Ca 0.07 -0.58 0.10 0.00 0.02 0.00 0.00 57.03 56.63 2cnp h ASP 61 Cb 0.58 0.02 -0.11 0.00 0.22 0.00 0.00 39.33 40.04 2cnp h ASP 61 CO 0.04 0.61 -0.43 0.03 -1.72 0.00 0.00 179.24 177.77 2cnp h ARG 62 N -0.79 -0.18 -1.25 3.56 3.08 -0.79 -1.01 114.38 117.00 2cnp h ARG 62 Ca -0.01 0.01 -0.42 0.00 0.07 0.00 0.00 59.98 59.64 2cnp h ARG 62 Cb 0.64 0.04 -0.19 0.00 0.08 0.00 0.00 29.97 30.54 2cnp h ARG 62 CO 0.01 -0.12 0.54 0.09 -1.07 0.00 0.00 179.97 179.42 2cnp n ASN 63 N -5.41 5.99 -3.92 7.04 3.02 -0.01 -4.45 115.26 117.53 2cnp n ASN 63 Ca 0.03 -3.24 -0.41 0.00 -0.03 0.00 0.00 54.58 50.93 2cnp n ASN 63 Cb 0.35 -0.95 -0.03 0.00 -0.61 0.00 0.00 39.78 38.54 2cnp n ASN 63 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2cnp n LYS 64 N -0.21 2.13 -2.98 3.52 4.81 -0.27 -3.54 118.16 121.63 2cnp n LYS 64 Ca 0.41 -2.35 -0.11 0.00 -0.87 0.00 0.00 58.31 55.39 2cnp n LYS 64 Cb 0.78 -3.23 0.04 0.00 0.02 0.00 0.00 35.03 32.65 2cnp n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2cnp n ASP 65 N 8.24 -3.74 -4.22 3.14 8.00 -1.26 -5.07 116.55 121.64 2cnp n ASP 65 Ca 0.50 -0.28 -0.13 0.00 0.71 0.00 0.00 54.79 55.59 2cnp n ASP 65 Cb 0.42 -2.80 -0.10 0.00 -0.02 0.00 0.00 41.12 38.62 2cnp n ASP 65 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2cnp s GLN 66 N -5.45 0.99 -0.12 -1.24 1.11 -1.23 -5.15 119.66 108.57 2cnp s GLN 66 Ca 0.23 -1.44 0.00 0.00 0.01 0.00 0.00 55.36 54.17 2cnp s GLN 66 Cb -0.10 -0.34 -0.02 0.00 -1.01 0.00 0.00 33.01 31.54 2cnp s GLN 66 CO 0.37 -0.03 -0.12 -1.21 0.01 0.00 0.00 175.29 174.31 2cnp s GLU 67 N -3.84 3.27 0.04 2.91 2.02 -1.26 -4.52 118.70 117.32 2cnp s GLU 67 Ca 0.17 -0.67 -0.23 0.00 0.02 0.00 0.00 54.97 54.26 2cnp s GLU 67 Cb 0.05 -2.62 -0.06 0.00 0.10 0.00 0.00 34.13 31.60 2cnp s GLU 67 CO -0.00 0.29 0.70 0.14 0.02 0.00 0.00 175.26 176.40 2cnp s VAL 68 N 0.15 4.75 0.83 2.63 -7.23 0.14 -4.81 120.40 116.87 2cnp s VAL 68 Ca -0.06 1.48 -0.13 0.00 -1.81 0.00 0.00 61.98 61.46 2cnp s VAL 68 Cb -0.15 -4.04 0.10 0.00 0.56 0.00 0.00 36.38 32.85 2cnp s VAL 68 CO 0.05 0.41 1.20 0.54 -0.31 0.00 0.00 175.10 176.98 2cnp s ASN 69 N -0.28 4.28 0.15 4.85 2.20 -1.26 -1.35 114.94 123.53 2cnp s ASN 69 Ca 0.35 0.72 -0.31 0.00 -0.94 0.00 0.00 52.86 52.68 2cnp s ASN 69 Cb -0.20 -1.16 -0.06 0.00 -2.00 0.00 0.00 41.25 37.83 2cnp s ASN 69 CO 0.21 -2.04 1.55 0.15 -2.94 0.00 0.00 177.10 174.02 2cnp h PHE 70 N -1.15 -1.76 -0.27 1.54 3.57 -1.53 0.11 116.94 117.45 2cnp h PHE 70 Ca -0.46 0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.10 2cnp h PHE 70 Cb 1.32 0.87 -0.02 0.00 2.79 0.00 0.00 35.95 40.91 2cnp h PHE 70 CO 0.12 -0.42 -0.04 0.37 -2.23 0.00 0.00 178.31 176.11 2cnp h GLN 71 N -0.16 0.42 -0.57 1.11 5.75 -1.94 0.11 115.11 119.82 2cnp h GLN 71 Ca 0.14 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 2cnp h GLN 71 Cb 0.50 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 2cnp h GLN 71 CO -0.80 0.47 0.12 0.93 -2.65 0.00 0.00 178.83 176.91 2cnp h GLU 72 N 0.40 0.93 -0.16 1.69 5.08 -1.61 0.38 114.58 121.30 2cnp h GLU 72 Ca 0.09 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2cnp h GLU 72 Cb 0.32 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 2cnp h GLU 72 CO 0.01 0.87 -0.08 -0.92 -1.00 0.00 0.00 179.01 177.90 2cnp h TYR 73 N 0.83 -0.18 -0.87 4.33 3.20 0.19 -0.24 116.97 124.23 2cnp h TYR 73 Ca 0.18 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.15 2cnp h TYR 73 Cb 0.37 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.69 2cnp h TYR 73 CO 0.03 -0.12 0.56 0.82 -1.64 0.00 0.00 178.16 177.81 2cnp h ILE 74 N -0.06 1.01 -0.80 1.81 1.08 -0.39 -0.28 117.51 119.88 2cnp h ILE 74 Ca 0.09 -0.31 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 2cnp h ILE 74 Cb 0.19 0.02 -0.04 0.00 -3.07 0.00 0.00 36.82 33.93 2cnp h ILE 74 CO -0.20 0.17 0.36 0.74 -0.69 0.00 0.00 178.15 178.53 2cnp h THR 75 N 0.91 1.25 0.07 -0.27 2.02 0.56 0.28 112.91 117.73 2cnp h THR 75 Ca 0.39 -0.75 0.02 0.00 0.77 0.00 0.00 66.41 66.85 2cnp h THR 75 Cb 0.32 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 2cnp h THR 75 CO -0.16 0.31 -0.24 0.15 0.37 0.00 0.00 175.52 175.96 2cnp h PHE 76 N 1.14 -0.64 -0.46 3.16 3.57 0.63 0.14 116.94 124.49 2cnp h PHE 76 Ca 0.27 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 2cnp h PHE 76 Cb 0.15 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 2cnp h PHE 76 CO 0.02 -0.34 0.28 -0.07 -2.23 0.00 0.00 178.31 175.97 2cnp h LEU 77 N -0.41 0.55 -0.31 0.59 3.38 -0.80 0.00 115.31 118.31 2cnp h LEU 77 Ca 0.04 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2cnp h LEU 77 Cb 0.46 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2cnp h LEU 77 CO -0.17 0.45 0.04 1.23 0.09 0.00 0.00 178.44 180.08 2cnp h GLY 78 N 0.61 0.56 0.95 0.83 0.00 -0.27 0.74 103.07 106.49 2cnp h GLY 78 Ca 0.16 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2cnp h GLY 78 CO -0.03 0.35 0.18 0.00 0.00 0.00 0.00 176.54 177.04 2cnp h ALA 79 N 0.88 0.49 -0.04 3.60 0.00 -0.62 0.14 119.26 123.71 2cnp h ALA 79 Ca 0.09 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2cnp h ALA 79 Cb 0.36 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2cnp h ALA 79 CO 0.01 0.06 -0.36 1.25 0.00 0.00 0.00 179.25 180.21 2cnp h LEU 80 N 0.48 -1.10 -0.26 0.00 5.85 -0.76 0.62 115.31 120.15 2cnp h LEU 80 Ca 0.13 0.14 0.06 0.00 0.84 0.00 0.00 57.88 59.06 2cnp h LEU 80 Cb 0.13 0.44 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 2cnp h LEU 80 CO -0.02 -0.41 -0.25 0.00 -0.34 0.00 0.00 178.44 177.43 2cnp h ALA 81 N 0.19 -0.14 -0.16 1.25 0.00 -0.63 -0.98 119.26 118.80 2cnp h ALA 81 Ca 0.07 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2cnp h ALA 81 Cb 0.59 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2cnp h ALA 81 CO -0.31 -0.68 -0.09 1.98 0.00 0.00 0.00 179.25 180.15 2cnp h MET 82 N -0.25 -0.08 0.24 0.00 1.85 -0.30 0.18 114.93 116.57 2cnp h MET 82 Ca 0.14 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.22 2cnp h MET 82 Cb 0.47 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.52 2cnp h MET 82 CO -0.40 -0.05 -0.12 0.82 -0.40 0.00 0.00 176.91 176.76 2cnp h ILE 83 N -0.08 0.82 -0.07 1.77 2.04 -0.50 -3.21 117.51 118.29 2cnp h ILE 83 Ca 0.09 -0.56 -0.22 0.00 1.00 0.00 0.00 64.86 65.17 2cnp h ILE 83 Cb 0.22 1.14 0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2cnp h ILE 83 CO -0.21 0.12 -0.86 0.10 0.00 0.00 0.00 178.15 177.30 2cnp h TYR 84 N -0.62 0.81 -0.31 1.37 -0.00 -1.15 -3.05 116.97 114.02 2cnp h TYR 84 Ca -0.03 -0.39 -0.69 0.00 0.00 0.00 0.00 58.73 57.61 2cnp h TYR 84 Cb 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 36.73 37.04 2cnp h TYR 84 CO 0.02 1.20 3.39 0.09 -0.00 0.00 0.00 178.16 182.86 2cnp n ASN 85 N -3.85 7.92 -0.38 0.10 3.02 0.61 -4.75 115.26 117.94 2cnp n ASN 85 Ca -0.07 -2.75 0.30 0.00 -0.03 0.00 0.00 54.58 52.03 2cnp n ASN 85 Cb 0.78 -1.52 0.57 0.00 -0.61 0.00 0.00 39.78 39.00 2cnp n ASN 85 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2cnp h GLU 86 N 5.05 0.22 -0.60 3.52 -0.00 -1.53 0.62 114.58 121.87 2cnp h GLU 86 Ca 0.79 -0.01 0.14 0.00 -0.00 0.00 0.00 59.36 60.27 2cnp h GLU 86 Cb 0.34 -0.05 -0.11 0.00 -0.00 0.00 0.00 28.75 28.93 2cnp h GLU 86 CO 1.73 0.15 -0.07 0.00 -0.00 0.00 0.00 179.01 180.81 2cnp n ALA 87 N -2.45 0.22 -0.12 1.06 0.00 -1.26 -0.72 120.51 117.24 2cnp n ALA 87 Ca 0.32 0.65 0.16 0.00 0.00 0.00 0.00 53.44 54.57 2cnp n ALA 87 Cb 1.16 -0.43 0.54 0.00 0.00 0.00 0.00 19.45 20.73 2cnp n ALA 87 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2cnp h LEU 88 N 0.00 0.30 -5.46 0.00 3.38 -1.14 -3.32 115.31 109.08 2cnp h LEU 88 Ca 0.32 0.02 -0.61 0.00 0.09 0.00 0.00 57.88 57.70 2cnp h LEU 88 Cb 0.59 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.30 2cnp h LEU 88 CO -0.59 0.16 3.27 0.29 0.09 0.00 0.00 178.44 181.66 2cnp n LYS 89 N -4.45 2.93 0.00 1.13 5.02 0.10 -5.15 118.16 117.74 2cnp n LYS 89 Ca 0.13 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 54.34 2cnp n LYS 89 Cb 0.53 -2.83 0.00 0.00 -0.02 0.00 0.00 35.03 32.71 2cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29