#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 2.09 0.91 3.17 0.00 -1.26 -4.97 121.76 121.70 2cnp s ALA 2 Ca 0.00 -2.17 -0.14 0.00 0.00 0.00 0.00 51.96 49.65 2cnp s ALA 2 Cb 0.00 -4.64 -0.02 0.00 0.00 0.00 0.00 23.12 18.46 2cnp s ALA 2 CO 0.00 -4.72 0.16 0.43 0.00 0.00 0.00 175.76 171.63 2cnp n SER 3 N 12.93 -2.80 -0.23 0.00 7.64 -1.26 -4.33 113.62 125.56 2cnp n SER 3 Ca 0.44 0.35 0.03 0.00 1.01 0.00 0.00 58.87 60.70 2cnp n SER 3 Cb 0.47 -1.11 0.12 0.00 -1.01 0.00 0.00 64.21 62.68 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 -1.19 0.09 -0.20 1.43 0.11 -1.99 0.21 132.00 130.47 2cnp h PRO 4 Ca -0.44 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.70 2cnp h PRO 4 Cb 1.30 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 2cnp h PRO 4 CO 0.34 0.06 0.02 -0.07 -0.21 0.00 0.00 178.00 178.13 2cnp h LEU 5 N 0.09 -0.03 -0.80 2.35 3.38 -1.99 0.31 115.31 118.62 2cnp h LEU 5 Ca 0.36 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 2cnp h LEU 5 Cb 0.61 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2cnp h LEU 5 CO -0.62 0.01 0.48 -0.78 0.09 0.00 0.00 178.44 177.62 2cnp h ASP 6 N 0.09 0.97 0.15 -0.43 3.58 -1.00 0.17 116.42 119.95 2cnp h ASP 6 Ca 0.09 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2cnp h ASP 6 Cb 0.10 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 2cnp h ASP 6 CO -0.14 0.75 -0.08 -0.61 -2.88 0.00 0.00 179.24 176.28 2cnp h GLN 7 N 1.10 -0.21 -0.37 0.28 4.15 -0.71 0.21 115.11 119.55 2cnp h GLN 7 Ca 0.29 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 2cnp h GLN 7 Cb -0.03 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2cnp h GLN 7 CO -0.05 -0.14 0.18 0.00 -1.93 0.00 0.00 178.83 176.89 2cnp h ALA 8 N 0.63 0.48 -0.22 3.38 0.00 -0.35 0.20 119.26 123.37 2cnp h ALA 8 Ca -0.02 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2cnp h ALA 8 Cb 0.18 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2cnp h ALA 8 CO 0.03 0.04 -0.16 0.82 0.00 0.00 0.00 179.25 179.98 2cnp h ILE 9 N 0.46 0.55 -0.71 0.00 2.04 -0.68 -1.44 117.51 117.74 2cnp h ILE 9 Ca 0.13 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.14 2cnp h ILE 9 Cb 0.12 0.55 -0.12 0.00 -0.74 0.00 0.00 36.82 36.62 2cnp h ILE 9 CO -0.02 0.00 -0.03 1.23 0.00 0.00 0.00 178.15 179.34 2cnp h GLY 10 N -0.16 0.73 0.52 5.37 0.00 0.37 0.13 103.07 110.04 2cnp h GLY 10 Ca 0.13 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.59 2cnp h GLY 10 CO -0.31 -0.26 -0.30 1.41 0.00 0.00 0.00 176.54 177.08 2cnp h LEU 11 N 0.09 -0.85 -0.85 3.11 3.38 0.04 0.20 115.31 120.43 2cnp h LEU 11 Ca 0.37 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.48 2cnp h LEU 11 Cb 0.63 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 2cnp h LEU 11 CO -0.64 -0.40 0.54 -0.07 0.09 0.00 0.00 178.44 177.97 2cnp h LEU 12 N -0.54 0.89 0.13 1.67 4.07 -0.14 0.66 115.31 122.04 2cnp h LEU 12 Ca 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 2cnp h LEU 12 Cb 0.55 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2cnp h LEU 12 CO -0.15 0.60 -0.06 0.40 -1.08 0.00 0.00 178.44 178.14 2cnp h ILE 13 N 1.03 0.89 0.06 1.22 2.04 -0.60 0.47 117.51 122.62 2cnp h ILE 13 Ca 0.35 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 66.17 2cnp h ILE 13 Cb 0.06 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2cnp h ILE 13 CO -0.13 0.02 -0.24 1.23 0.00 0.00 0.00 178.15 179.02 2cnp h GLY 14 N -0.21 -0.41 0.15 5.37 0.00 0.01 0.42 103.07 108.40 2cnp h GLY 14 Ca -0.02 0.29 0.08 0.00 0.00 0.00 0.00 47.33 47.68 2cnp h GLY 14 CO 0.03 -0.21 -0.14 -2.22 0.00 0.00 0.00 176.54 174.00 2cnp h ILE 15 N -0.41 0.53 0.07 2.60 1.08 -0.87 0.10 117.51 120.61 2cnp h ILE 15 Ca 0.05 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 2cnp h ILE 15 Cb 0.47 0.53 -0.05 0.00 -3.07 0.00 0.00 36.82 34.70 2cnp h ILE 15 CO -0.18 0.00 -0.51 0.15 -0.69 0.00 0.00 178.15 176.92 2cnp h PHE 16 N -0.06 -1.49 -0.95 1.37 3.57 -0.11 -2.49 116.94 116.78 2cnp h PHE 16 Ca 0.19 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.75 2cnp h PHE 16 Cb 0.35 0.64 -0.05 0.00 2.79 0.00 0.00 35.95 39.67 2cnp h PHE 16 CO -0.38 -0.56 0.63 1.25 -2.23 0.00 0.00 178.31 177.02 2cnp h HIS 17 N -0.69 1.18 -0.30 0.41 2.76 -0.48 0.85 115.15 118.87 2cnp h HIS 17 Ca 0.00 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.29 2cnp h HIS 17 Cb 0.71 -0.40 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 2cnp h HIS 17 CO -0.47 0.71 0.38 -0.22 -1.30 0.00 0.00 177.93 177.03 2cnp h LYS 18 N 1.24 0.00 -0.67 5.26 3.64 -0.36 -0.67 116.57 125.02 2cnp h LYS 18 Ca 0.36 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.39 2cnp h LYS 18 Cb -0.07 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.35 2cnp h LYS 18 CO -0.10 0.00 -1.03 0.66 -2.27 0.00 0.00 179.45 176.71 2cnp n TYR 19 N -3.59 1.74 0.00 1.91 4.02 -0.36 -4.95 117.16 115.94 2cnp n TYR 19 Ca 0.05 -2.32 0.00 0.00 -0.01 0.00 0.00 57.90 55.61 2cnp n TYR 19 Cb 0.53 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 2cnp n TYR 19 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2cnp n SER 20 N -0.54 0.00 -2.74 7.72 3.41 0.15 -4.80 113.62 116.83 2cnp n SER 20 Ca 0.18 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.72 2cnp n SER 20 Cb 0.83 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.83 2cnp n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cnp n GLY 21 N 2.88 -0.38 3.68 5.00 0.00 -0.92 -4.33 105.19 111.13 2cnp n GLY 21 Ca 0.00 0.35 -0.47 0.00 0.00 0.00 0.00 46.02 45.90 2cnp n GLY 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cnp n LYS 22 N 1.80 2.28 -2.82 1.61 5.02 -1.26 -0.16 118.16 124.62 2cnp n LYS 22 Ca 0.09 0.84 -0.22 0.00 -2.02 0.00 0.00 58.31 57.00 2cnp n LYS 22 Cb 0.64 -2.70 0.02 0.00 -0.02 0.00 0.00 35.03 32.97 2cnp n LYS 22 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2cnp n GLU 23 N 6.64 -3.68 0.00 1.97 -0.58 -1.26 -4.80 120.64 118.93 2cnp n GLU 23 Ca 0.22 0.90 0.00 0.00 -0.42 0.00 0.00 57.16 57.86 2cnp n GLU 23 Cb 0.31 -5.68 0.00 0.00 -0.57 0.00 0.00 31.44 25.50 2cnp n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2cnp n GLY 24 N -1.31 0.12 2.45 0.62 0.00 0.77 -5.02 105.19 102.82 2cnp n GLY 24 Ca -0.15 0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 2cnp n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cnp n ASP 25 N 0.00 7.20 -0.33 1.61 8.00 -0.85 -4.81 116.55 127.37 2cnp n ASP 25 Ca 0.00 -2.63 0.22 0.00 0.71 0.00 0.00 54.79 53.09 2cnp n ASP 25 Cb 0.00 -1.55 0.42 0.00 -0.02 0.00 0.00 41.12 39.96 2cnp n ASP 25 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2cnp n LYS 26 N 4.33 -0.07 -0.09 -1.24 4.01 -1.06 -1.76 118.16 122.28 2cnp n LYS 26 Ca 0.70 1.42 0.10 0.00 -0.51 0.00 0.00 58.31 60.02 2cnp n LYS 26 Cb 0.27 -2.38 0.14 0.00 -0.51 0.00 0.00 35.03 32.55 2cnp n LYS 26 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2cnp n HIS 27 N -5.36 0.00 -4.22 2.13 8.25 -1.26 -4.30 115.22 110.46 2cnp n HIS 27 Ca 0.29 -1.01 -0.14 0.00 -0.26 0.00 0.00 57.72 56.60 2cnp n HIS 27 Cb 0.98 -0.15 -0.09 0.00 1.12 0.00 0.00 29.99 31.84 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 -2.87 0.00 0.25 1.59 -4.23 -0.72 -4.08 115.64 105.58 2cnp s THR 28 Ca 0.32 -1.98 -0.10 0.00 -1.18 0.00 0.00 61.69 58.76 2cnp s THR 28 Cb 0.28 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.66 2cnp s THR 28 CO 0.03 0.00 0.51 0.00 -0.54 0.00 0.00 174.62 174.62 2cnp n LEU 29 N -0.39 0.00 0.00 4.79 -0.00 0.05 -3.63 117.00 117.82 2cnp n LEU 29 Ca 0.04 -1.63 -0.07 0.00 -0.00 0.00 0.00 56.01 54.35 2cnp n LEU 29 Cb 0.65 2.43 -0.01 0.00 -0.00 0.00 0.00 43.42 46.49 2cnp n LEU 29 CO 0.32 -0.54 0.17 -1.54 -0.00 0.00 0.00 177.39 175.80 2cnp n SER 30 N -1.33 -0.96 0.00 1.45 3.41 -1.26 -0.35 113.62 114.58 2cnp n SER 30 Ca -0.06 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 2cnp n SER 30 Cb 0.38 1.71 0.00 0.00 -0.26 0.00 0.00 64.21 66.04 2cnp n SER 30 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2cnp n LYS 31 N -0.32 0.00 -0.11 4.33 5.02 -1.26 -0.28 118.16 125.53 2cnp n LYS 31 Ca -0.02 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.22 2cnp n LYS 31 Cb 0.34 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.36 2cnp n LYS 31 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2cnp h LYS 32 N 0.00 -0.05 -0.52 1.97 1.63 -1.99 0.23 116.57 117.85 2cnp h LYS 32 Ca 0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 2cnp h LYS 32 Cb 0.00 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 2cnp h LYS 32 CO 0.00 -0.03 0.12 0.93 -3.45 0.00 0.00 179.45 177.02 2cnp h GLU 33 N -0.05 0.83 0.01 1.90 3.07 -0.97 0.41 114.58 119.77 2cnp h GLU 33 Ca 0.19 -0.20 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2cnp h GLU 33 Cb 0.34 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2cnp h GLU 33 CO -0.43 0.80 -0.00 -0.07 -1.40 0.00 0.00 179.01 177.91 2cnp h LEU 34 N 0.72 -0.01 -0.52 1.33 3.38 -0.36 0.27 115.31 120.12 2cnp h LEU 34 Ca 0.16 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2cnp h LEU 34 Cb 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2cnp h LEU 34 CO 0.00 0.04 0.33 0.11 0.09 0.00 0.00 178.44 179.02 2cnp h LYS 35 N -0.06 0.66 0.02 1.13 1.57 -0.81 -0.94 116.57 118.14 2cnp h LYS 35 Ca -0.00 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2cnp h LYS 35 Cb 0.06 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2cnp h LYS 35 CO 0.00 0.43 -0.15 0.93 -0.57 0.00 0.00 179.45 180.09 2cnp h GLU 36 N 0.68 -0.26 -0.29 3.15 5.08 -0.74 0.48 114.58 122.68 2cnp h GLU 36 Ca 0.20 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 2cnp h GLU 36 Cb -0.05 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.18 2cnp h GLU 36 CO -0.06 -0.17 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.38 2cnp h LEU 37 N -0.27 -1.07 0.19 1.33 3.38 0.02 0.23 115.31 119.13 2cnp h LEU 37 Ca 0.05 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2cnp h LEU 37 Cb 0.32 0.48 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2cnp h LEU 37 CO -0.14 -0.34 -0.21 0.40 0.09 0.00 0.00 178.44 178.24 2cnp h ILE 38 N -0.31 0.00 -0.22 1.22 1.08 -1.03 0.31 117.51 118.56 2cnp h ILE 38 Ca 0.14 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.64 2cnp h ILE 38 Cb 0.54 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 2cnp h ILE 38 CO -0.46 0.00 0.01 -0.61 -0.69 0.00 0.00 178.15 176.40 2cnp h GLN 39 N -0.41 0.09 0.08 2.37 4.15 -0.43 0.11 115.11 121.07 2cnp h GLN 39 Ca -0.02 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 2cnp h GLN 39 Cb 0.36 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2cnp h GLN 39 CO -0.04 0.06 -0.04 0.87 -1.93 0.00 0.00 178.83 177.75 2cnp h LYS 40 N 0.09 -0.11 0.00 1.69 6.56 -0.63 -3.39 116.57 120.78 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 0.12 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 2cnp h LYS 40 CO -0.16 0.42 -0.43 0.93 -2.06 0.00 0.00 179.45 178.15 2cnp h GLU 41 N -0.90 0.00 -3.48 3.15 4.39 -0.90 -3.36 114.58 113.49 2cnp h GLU 41 Ca -0.01 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.01 2cnp h GLU 41 Cb 0.57 0.00 -0.37 0.00 -0.10 0.00 0.00 28.75 28.86 2cnp h GLU 41 CO 0.02 0.00 -0.41 -0.51 -1.16 0.00 0.00 179.01 176.95 2cnp s LEU 42 N -4.83 5.03 -0.83 1.33 1.43 0.38 -4.99 118.68 116.20 2cnp s LEU 42 Ca 0.06 -3.01 -0.07 0.00 -1.03 0.00 0.00 54.13 50.07 2cnp s LEU 42 Cb 0.11 -1.80 -0.15 0.00 0.03 0.00 0.00 46.19 44.38 2cnp s LEU 42 CO 0.69 -0.31 2.98 0.35 0.23 0.00 0.00 176.35 180.29 2cnp n THR 43 N 3.23 3.35 -0.08 5.49 -2.24 -1.26 -4.23 114.28 118.54 2cnp n THR 43 Ca 0.09 -1.89 -0.09 0.00 -2.27 0.00 0.00 64.05 59.89 2cnp n THR 43 Cb 0.36 -2.26 -0.05 0.00 -2.10 0.00 0.00 70.33 66.28 2cnp n THR 43 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2cnp h ILE 44 N 2.69 0.43 0.00 2.28 2.04 -1.89 -3.48 117.51 119.58 2cnp h ILE 44 Ca 0.52 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.93 2cnp h ILE 44 Cb 0.72 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2cnp h ILE 44 CO 1.09 0.14 0.00 0.61 0.00 0.00 0.00 178.15 179.99 2cnp n GLY 45 N 1.60 1.08 3.37 5.37 0.00 -1.26 -4.55 105.19 110.79 2cnp n GLY 45 Ca -0.13 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 2.34 3.06 -4.51 1.61 7.64 -1.26 -4.89 113.62 117.61 2cnp n SER 46 Ca 0.00 -2.72 -0.32 0.00 1.01 0.00 0.00 58.87 56.85 2cnp n SER 46 Cb 0.00 -1.51 -0.15 0.00 -1.01 0.00 0.00 64.21 61.54 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 7.74 0.19 0.02 1.43 5.02 -1.26 -4.79 118.16 126.51 2cnp n LYS 47 Ca 0.47 -0.08 0.01 0.00 -2.02 0.00 0.00 58.31 56.69 2cnp n LYS 47 Cb 0.44 -1.80 0.07 0.00 -0.02 0.00 0.00 35.03 33.72 2cnp n LYS 47 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2cnp n LEU 48 N 10.38 0.06 -3.63 -0.35 -0.00 -1.26 -4.64 117.00 117.57 2cnp n LEU 48 Ca 0.61 0.52 -0.09 0.00 -0.00 0.00 0.00 56.01 57.05 2cnp n LEU 48 Cb 0.17 -0.53 -0.02 0.00 -0.00 0.00 0.00 43.42 43.04 2cnp n LEU 48 CO 0.92 -0.54 0.48 -1.58 -0.00 0.00 0.00 177.39 176.67 2cnp s GLN 49 N -3.04 1.44 0.32 1.47 0.74 -1.26 -5.04 119.66 114.28 2cnp s GLN 49 Ca -0.00 -0.68 0.12 0.00 0.05 0.00 0.00 55.36 54.85 2cnp s GLN 49 Cb 0.01 0.56 1.02 0.00 1.10 0.00 0.00 33.01 35.70 2cnp s GLN 49 CO 0.02 -0.64 1.46 -0.40 -0.55 0.00 0.00 175.29 175.18 2cnp n ASP 50 N -0.41 0.14 -0.19 6.67 5.75 -1.26 -3.13 116.55 124.12 2cnp n ASP 50 Ca -0.10 1.56 -0.05 0.00 -0.01 0.00 0.00 54.79 56.18 2cnp n ASP 50 Cb 0.62 -0.68 -0.05 0.00 -1.03 0.00 0.00 41.12 39.99 2cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cnp n ALA 51 N -2.69 -0.29 -0.13 2.12 0.00 -1.26 -0.65 120.51 117.60 2cnp n ALA 51 Ca 0.30 0.38 -0.09 0.00 0.00 0.00 0.00 53.44 54.03 2cnp n ALA 51 Cb 0.99 -0.04 0.05 0.00 0.00 0.00 0.00 19.45 20.45 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 0.90 0.31 0.00 4.81 -1.87 0.11 114.58 118.84 2cnp h GLU 52 Ca 0.07 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 2cnp h GLU 52 Cb 0.19 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2cnp h GLU 52 CO -0.42 1.01 -0.15 0.82 -0.73 0.00 0.00 179.01 179.53 2cnp h ILE 53 N 0.79 0.71 -0.61 2.32 5.03 -1.08 0.16 117.51 124.83 2cnp h ILE 53 Ca 0.11 -0.18 0.04 0.00 -0.12 0.00 0.00 64.86 64.71 2cnp h ILE 53 Cb 0.73 0.81 -0.04 0.00 -3.03 0.00 0.00 36.82 35.28 2cnp h ILE 53 CO 0.06 0.04 0.35 0.58 -0.68 0.00 0.00 178.15 178.50 2cnp h VAL 54 N -0.51 1.02 -0.01 1.67 2.07 -0.67 0.69 116.25 120.50 2cnp h VAL 54 Ca -0.04 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.26 2cnp h VAL 54 Cb 0.38 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2cnp h VAL 54 CO 0.07 0.12 -0.05 0.11 0.02 0.00 0.00 177.57 177.85 2cnp h LYS 55 N 0.68 -0.08 -0.89 1.57 6.56 -0.64 0.26 116.57 124.04 2cnp h LYS 55 Ca 0.26 0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.94 2cnp h LYS 55 Cb 0.09 0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 31.71 2cnp h LYS 55 CO -0.14 -0.05 0.58 -0.07 -2.06 0.00 0.00 179.45 177.71 2cnp h LEU 56 N -0.08 0.83 0.45 2.94 3.38 -0.03 0.93 115.31 123.73 2cnp h LEU 56 Ca 0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2cnp h LEU 56 Cb 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2cnp h LEU 56 CO -0.06 0.50 -0.21 0.24 0.09 0.00 0.00 178.44 179.00 2cnp h MET 57 N 0.92 -0.58 -0.99 1.13 2.86 -0.57 -3.34 114.93 114.37 2cnp h MET 57 Ca 0.40 0.04 0.29 0.00 -2.06 0.00 0.00 59.70 58.38 2cnp h MET 57 Cb 0.34 0.13 -0.14 0.00 0.06 0.00 0.00 31.60 31.99 2cnp h MET 57 CO -0.17 -0.38 0.54 0.22 1.06 0.00 0.00 176.91 178.18 2cnp h ASP 58 N -0.99 0.51 -0.91 1.22 3.58 -0.21 -0.03 116.42 119.58 2cnp h ASP 58 Ca -0.06 0.18 0.18 0.00 0.42 0.00 0.00 57.03 57.75 2cnp h ASP 58 Cb 0.46 0.12 -0.17 0.00 1.72 0.00 0.00 39.33 41.46 2cnp h ASP 58 CO 0.10 -0.07 -0.23 -0.67 -2.88 0.00 0.00 179.24 175.49 2cnp n ASP 59 N -5.02 -0.33 0.01 2.28 2.03 0.30 -0.37 116.55 115.45 2cnp n ASP 59 Ca 0.29 1.57 -0.10 0.00 0.52 0.00 0.00 54.79 57.08 2cnp n ASP 59 Cb 0.89 -0.48 -0.04 0.00 -0.72 0.00 0.00 41.12 40.77 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 -0.27 -0.21 -2.67 3.38 -1.17 0.46 115.31 114.82 2cnp h LEU 60 Ca 0.44 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.38 2cnp h LEU 60 Cb 0.67 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2cnp h LEU 60 CO -0.94 -0.12 -0.18 -0.78 0.09 0.00 0.00 178.44 176.51 2cnp h ASP 61 N -0.11 0.52 -0.44 -0.43 3.58 -1.27 0.89 116.42 119.15 2cnp h ASP 61 Ca 0.06 -0.46 0.06 0.00 0.42 0.00 0.00 57.03 57.11 2cnp h ASP 61 Cb 0.20 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.05 2cnp h ASP 61 CO -0.15 0.87 0.14 -0.09 -2.88 0.00 0.00 179.24 177.13 2cnp h ARG 62 N 0.18 0.29 0.25 0.28 2.43 -0.46 -2.97 114.38 114.38 2cnp h ARG 62 Ca 0.04 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2cnp h ARG 62 Cb 0.71 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2cnp h ARG 62 CO 0.05 0.20 -0.12 -0.91 -1.51 0.00 0.00 179.97 177.67 2cnp h ASN 63 N 0.30 -0.28 -6.09 -3.80 2.35 -0.92 -3.47 115.58 103.68 2cnp h ASN 63 Ca 0.21 -0.22 -0.46 0.00 -0.55 0.00 0.00 56.30 55.28 2cnp h ASN 63 Cb 0.22 0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.61 2cnp h ASN 63 CO -0.23 0.22 -0.72 1.17 -1.65 0.00 0.00 177.43 176.22 2cnp n LYS 64 N -5.00 -5.03 -0.66 0.81 4.81 0.30 -0.35 118.16 113.04 2cnp n LYS 64 Ca -0.07 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 2cnp n LYS 64 Cb 0.24 -5.44 0.00 0.00 0.02 0.00 0.00 35.03 29.85 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 -2.72 -0.01 -4.86 3.14 8.00 -1.26 -5.00 116.55 113.84 2cnp n ASP 65 Ca 0.03 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.22 2cnp n ASP 65 Cb 0.53 -1.69 -0.03 0.00 -0.02 0.00 0.00 41.12 39.91 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 -0.68 3.81 0.75 -1.24 -1.52 0.52 -5.05 119.66 116.25 2cnp s GLN 66 Ca 0.00 0.69 -0.11 0.00 -1.95 0.00 0.00 55.36 53.99 2cnp s GLN 66 Cb 0.00 -2.25 0.04 0.00 -0.22 0.00 0.00 33.01 30.59 2cnp s GLN 66 CO 0.00 -0.21 1.08 -1.21 -0.25 0.00 0.00 175.29 174.70 2cnp s GLU 67 N -4.17 2.48 0.28 2.91 2.02 -1.26 -4.58 118.70 116.38 2cnp s GLU 67 Ca 0.55 0.95 0.11 0.00 0.02 0.00 0.00 54.97 56.60 2cnp s GLU 67 Cb -0.10 -1.94 -0.05 0.00 0.10 0.00 0.00 34.13 32.14 2cnp s GLU 67 CO 0.35 -1.42 -0.13 0.14 0.02 0.00 0.00 175.26 174.22 2cnp s VAL 68 N -3.02 2.80 0.29 2.63 -7.23 0.53 -4.96 120.40 111.45 2cnp s VAL 68 Ca 0.60 -2.23 0.04 0.00 -1.81 0.00 0.00 61.98 58.57 2cnp s VAL 68 Cb -0.15 -2.50 0.04 0.00 0.56 0.00 0.00 36.38 34.32 2cnp s VAL 68 CO 0.55 -0.38 0.29 -0.46 -0.31 0.00 0.00 175.10 174.79 2cnp n ASN 69 N -0.72 1.59 -0.02 4.85 6.94 -1.26 -0.77 115.26 125.86 2cnp n ASN 69 Ca -0.05 -1.91 -0.06 0.00 -0.02 0.00 0.00 54.58 52.54 2cnp n ASN 69 Cb 0.60 -0.10 -0.04 0.00 -2.36 0.00 0.00 39.78 37.88 2cnp n ASN 69 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 2cnp h PHE 70 N 0.37 -0.64 -0.53 -2.53 3.57 -1.97 0.10 116.94 115.32 2cnp h PHE 70 Ca -0.16 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 2cnp h PHE 70 Cb 0.65 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 2cnp h PHE 70 CO 0.00 -0.21 0.31 0.37 -2.23 0.00 0.00 178.31 176.55 2cnp h GLN 71 N -0.21 0.72 -0.26 1.11 5.75 -1.97 0.14 115.11 120.40 2cnp h GLN 71 Ca 0.02 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 2cnp h GLN 71 Cb 0.26 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2cnp h GLN 71 CO -0.19 0.52 0.14 0.93 -2.65 0.00 0.00 178.83 177.58 2cnp h GLU 72 N 0.74 0.36 -0.22 1.69 5.08 -1.90 0.39 114.58 120.72 2cnp h GLU 72 Ca 0.19 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 2cnp h GLU 72 Cb -0.01 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 2cnp h GLU 72 CO -0.03 0.32 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.28 2cnp h TYR 73 N 0.30 -0.22 -0.82 4.33 3.20 0.21 0.98 116.97 124.95 2cnp h TYR 73 Ca 0.09 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.05 2cnp h TYR 73 Cb 0.07 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 2cnp h TYR 73 CO -0.03 -0.15 0.54 0.82 -1.64 0.00 0.00 178.16 177.70 2cnp h ILE 74 N -0.06 1.02 -0.46 1.81 1.08 -0.42 -0.65 117.51 119.84 2cnp h ILE 74 Ca 0.12 -0.30 -0.13 0.00 -0.39 0.00 0.00 64.86 64.16 2cnp h ILE 74 Cb 0.23 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.04 2cnp h ILE 74 CO -0.26 0.16 -0.22 0.74 -0.69 0.00 0.00 178.15 177.88 2cnp h THR 75 N 0.88 1.27 0.25 -0.27 2.02 0.70 0.42 112.91 118.17 2cnp h THR 75 Ca 0.36 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 66.17 2cnp h THR 75 Cb 0.27 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2cnp h THR 75 CO -0.13 0.47 -0.27 0.15 0.37 0.00 0.00 175.52 176.10 2cnp h PHE 76 N 0.82 -0.73 -1.01 3.16 3.57 0.37 0.16 116.94 123.28 2cnp h PHE 76 Ca 0.11 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.62 2cnp h PHE 76 Cb 0.78 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.76 2cnp h PHE 76 CO 0.05 -0.40 0.67 -0.07 -2.23 0.00 0.00 178.31 176.33 2cnp h LEU 77 N -0.57 1.16 -0.04 0.59 3.38 -1.06 -0.64 115.31 118.13 2cnp h LEU 77 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2cnp h LEU 77 Cb 0.53 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2cnp h LEU 77 CO -0.07 0.83 0.02 1.23 0.09 0.00 0.00 178.44 180.54 2cnp h GLY 78 N 1.36 0.05 0.93 0.83 0.00 0.26 0.12 103.07 106.62 2cnp h GLY 78 Ca 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 2cnp h GLY 78 CO -0.08 0.02 0.13 0.00 0.00 0.00 0.00 176.54 176.60 2cnp h ALA 79 N 1.01 0.50 -0.05 3.60 0.00 -0.48 0.13 119.26 123.98 2cnp h ALA 79 Ca 0.01 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2cnp h ALA 79 Cb -0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 2cnp h ALA 79 CO -0.00 0.14 -0.45 1.25 0.00 0.00 0.00 179.25 180.19 2cnp h LEU 80 N 0.47 -1.39 -0.15 0.00 5.85 -0.87 0.11 115.31 119.32 2cnp h LEU 80 Ca 0.12 0.17 0.05 0.00 0.84 0.00 0.00 57.88 59.06 2cnp h LEU 80 Cb 0.25 0.55 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 2cnp h LEU 80 CO -0.00 -0.46 -0.25 0.00 -0.34 0.00 0.00 178.44 177.38 2cnp h ALA 81 N -0.07 -0.22 -0.39 1.25 0.00 -0.58 -1.39 119.26 117.85 2cnp h ALA 81 Ca 0.05 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2cnp h ALA 81 Cb 0.66 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 2cnp h ALA 81 CO -0.36 -0.71 -0.10 1.98 0.00 0.00 0.00 179.25 180.06 2cnp h MET 82 N -0.31 -0.00 0.28 0.00 1.85 -0.39 0.17 114.93 116.53 2cnp h MET 82 Ca 0.11 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.18 2cnp h MET 82 Cb 0.47 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.50 2cnp h MET 82 CO -0.33 -0.00 -0.13 0.82 -0.40 0.00 0.00 176.91 176.87 2cnp h ILE 83 N -0.00 0.69 0.01 1.77 2.04 -0.56 -3.28 117.51 118.18 2cnp h ILE 83 Ca 0.19 -0.76 -0.23 0.00 1.00 0.00 0.00 64.86 65.06 2cnp h ILE 83 Cb 0.29 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2cnp h ILE 83 CO -0.41 0.14 -0.95 0.10 0.00 0.00 0.00 178.15 177.03 2cnp h TYR 84 N -0.82 0.57 -0.63 1.37 -0.00 -1.21 -3.07 116.97 113.18 2cnp h TYR 84 Ca -0.04 -0.32 -0.72 0.00 0.00 0.00 0.00 58.73 57.66 2cnp h TYR 84 Cb 0.51 -0.06 -0.07 0.00 0.00 0.00 0.00 36.73 37.11 2cnp h TYR 84 CO 0.04 1.14 2.94 0.09 -0.00 0.00 0.00 178.16 182.38 2cnp n ASN 85 N -3.73 7.14 -0.40 0.10 3.02 0.59 -4.77 115.26 117.22 2cnp n ASN 85 Ca -0.06 -2.90 0.32 0.00 -0.03 0.00 0.00 54.58 51.90 2cnp n ASN 85 Cb 0.84 -1.49 0.59 0.00 -0.61 0.00 0.00 39.78 39.11 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 5.14 0.18 -0.67 3.52 -0.00 -1.59 0.12 114.58 121.28 2cnp h GLU 86 Ca 0.69 -0.01 0.17 0.00 -0.00 0.00 0.00 59.36 60.21 2cnp h GLU 86 Cb 0.40 -0.04 -0.13 0.00 -0.00 0.00 0.00 28.75 28.99 2cnp h GLU 86 CO 1.67 0.12 -0.03 0.00 -0.00 0.00 0.00 179.01 180.76 2cnp n ALA 87 N -2.47 0.29 -0.29 1.06 0.00 -1.26 -0.48 120.51 117.37 2cnp n ALA 87 Ca 0.34 0.72 0.10 0.00 0.00 0.00 0.00 53.44 54.60 2cnp n ALA 87 Cb 1.24 -0.50 0.24 0.00 0.00 0.00 0.00 19.45 20.42 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 -0.17 0.00 0.00 3.38 -1.02 -0.41 115.31 117.09 2cnp h LEU 88 Ca 0.38 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.56 2cnp h LEU 88 Cb 0.75 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2cnp h LEU 88 CO -0.64 -0.18 0.00 0.29 0.09 0.00 0.00 178.44 178.00 2cnp n LYS 89 N -5.29 0.25 0.00 1.13 5.02 0.37 -5.14 118.16 114.49 2cnp n LYS 89 Ca 0.18 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.54 2cnp n LYS 89 Cb 0.61 -1.44 0.36 0.00 -0.02 0.00 0.00 35.03 34.53 2cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29