#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 1.21 -0.87 3.04 0.00 -1.26 -4.93 120.51 117.71 2cnp n ALA 2 Ca 0.00 -2.70 -0.30 0.00 0.00 0.00 0.00 53.44 50.44 2cnp n ALA 2 Cb 0.00 -3.47 0.18 0.00 0.00 0.00 0.00 19.45 16.16 2cnp n ALA 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2cnp s SER 3 N 7.22 2.63 0.23 0.00 0.01 -1.26 -4.48 113.70 118.05 2cnp s SER 3 Ca 0.73 1.72 -0.09 0.00 1.31 0.00 0.00 55.95 59.62 2cnp s SER 3 Cb 0.01 -2.35 0.37 0.00 0.21 0.00 0.00 66.02 64.26 2cnp s SER 3 CO 0.18 -3.20 1.65 -0.65 0.41 0.00 0.00 173.24 171.62 2cnp h PRO 4 N -1.94 0.10 -0.39 12.44 0.11 -1.99 0.29 132.00 140.62 2cnp h PRO 4 Ca -0.51 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.64 2cnp h PRO 4 Cb 1.29 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 2cnp h PRO 4 CO 0.49 0.07 0.13 -0.07 -0.21 0.00 0.00 178.00 178.41 2cnp h LEU 5 N 0.11 0.13 -0.78 2.35 3.38 -1.99 0.44 115.31 118.95 2cnp h LEU 5 Ca 0.37 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.37 2cnp h LEU 5 Cb 0.63 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2cnp h LEU 5 CO -0.61 0.11 0.42 -0.78 0.09 0.00 0.00 178.44 177.67 2cnp h ASP 6 N 0.28 0.98 -0.02 -0.43 3.58 -0.85 0.19 116.42 120.16 2cnp h ASP 6 Ca 0.18 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 2cnp h ASP 6 Cb 0.17 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 2cnp h ASP 6 CO -0.19 0.80 0.01 -0.61 -2.88 0.00 0.00 179.24 176.37 2cnp h GLN 7 N 1.09 0.03 -0.33 0.28 4.15 -0.72 0.22 115.11 119.83 2cnp h GLN 7 Ca 0.27 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 2cnp h GLN 7 Cb 0.04 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2cnp h GLN 7 CO -0.04 0.12 0.17 0.00 -1.93 0.00 0.00 178.83 177.15 2cnp h ALA 8 N 0.91 0.42 -0.15 3.38 0.00 -0.46 0.18 119.26 123.54 2cnp h ALA 8 Ca 0.01 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2cnp h ALA 8 Cb 0.10 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2cnp h ALA 8 CO -0.00 -0.04 -0.18 0.82 0.00 0.00 0.00 179.25 179.85 2cnp h ILE 9 N 0.40 0.53 -0.75 0.00 2.04 -0.64 -1.62 117.51 117.47 2cnp h ILE 9 Ca 0.11 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.15 2cnp h ILE 9 Cb 0.08 0.53 -0.13 0.00 -0.74 0.00 0.00 36.82 36.56 2cnp h ILE 9 CO -0.02 0.00 0.03 1.23 0.00 0.00 0.00 178.15 179.40 2cnp h GLY 10 N -0.22 0.87 0.58 5.37 0.00 0.26 0.15 103.07 110.09 2cnp h GLY 10 Ca 0.11 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.53 2cnp h GLY 10 CO -0.28 -0.28 -0.28 1.41 0.00 0.00 0.00 176.54 177.12 2cnp h LEU 11 N 0.12 -0.77 -0.61 3.11 3.38 -0.05 0.20 115.31 120.70 2cnp h LEU 11 Ca 0.41 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.50 2cnp h LEU 11 Cb 0.73 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 2cnp h LEU 11 CO -0.64 -0.38 0.36 -0.07 0.09 0.00 0.00 178.44 177.81 2cnp h LEU 12 N -0.52 0.57 0.17 1.67 4.07 -0.18 0.67 115.31 121.76 2cnp h LEU 12 Ca 0.02 0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.00 2cnp h LEU 12 Cb 0.52 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 2cnp h LEU 12 CO -0.12 0.39 -0.22 0.40 -1.08 0.00 0.00 178.44 177.81 2cnp h ILE 13 N 0.70 0.52 -0.29 1.22 2.04 -0.61 -0.45 117.51 120.64 2cnp h ILE 13 Ca 0.25 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.17 2cnp h ILE 13 Cb 0.07 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.61 2cnp h ILE 13 CO -0.12 0.00 -0.09 1.23 0.00 0.00 0.00 178.15 179.17 2cnp h GLY 14 N -0.44 0.19 0.54 5.37 0.00 -0.06 0.12 103.07 108.79 2cnp h GLY 14 Ca 0.01 0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.52 2cnp h GLY 14 CO -0.09 -0.12 0.19 -2.22 0.00 0.00 0.00 176.54 174.30 2cnp h ILE 15 N -0.02 0.84 0.46 2.60 1.08 -0.77 0.17 117.51 121.87 2cnp h ILE 15 Ca 0.14 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.47 2cnp h ILE 15 Cb 0.24 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 2cnp h ILE 15 CO -0.31 0.07 -0.41 0.15 -0.69 0.00 0.00 178.15 176.96 2cnp h PHE 16 N 0.37 -1.12 -0.82 1.37 3.57 0.13 -3.01 116.94 117.43 2cnp h PHE 16 Ca 0.24 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.84 2cnp h PHE 16 Cb 0.25 0.43 -0.06 0.00 2.79 0.00 0.00 35.95 39.36 2cnp h PHE 16 CO -0.16 -0.58 0.54 1.25 -2.23 0.00 0.00 178.31 177.13 2cnp h HIS 17 N -0.88 0.85 -0.92 0.41 2.76 -0.34 0.25 115.15 117.28 2cnp h HIS 17 Ca -0.05 0.02 0.25 0.00 -2.20 0.00 0.00 60.37 58.39 2cnp h HIS 17 Cb 0.76 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 29.39 2cnp h HIS 17 CO -0.20 0.41 0.64 -0.22 -1.30 0.00 0.00 177.93 177.26 2cnp h LYS 18 N 0.80 0.16 0.00 5.26 3.64 -0.53 0.21 116.57 126.11 2cnp h LYS 18 Ca 0.37 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.57 2cnp h LYS 18 Cb 0.39 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2cnp h LYS 18 CO -0.15 0.11 -1.43 0.66 -2.27 0.00 0.00 179.45 176.36 2cnp n TYR 19 N -4.38 0.00 -0.30 1.91 4.02 -0.48 -4.66 117.16 113.28 2cnp n TYR 19 Ca 0.20 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.21 2cnp n TYR 19 Cb 0.88 -0.47 0.37 0.00 -0.02 0.00 0.00 39.34 40.10 2cnp n TYR 19 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2cnp h SER 20 N -0.57 0.68 -0.46 7.72 0.87 -0.58 -0.05 113.55 121.17 2cnp h SER 20 Ca -0.27 0.06 0.13 0.00 -1.23 0.00 0.00 61.79 60.48 2cnp h SER 20 Cb 1.08 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 2cnp h SER 20 CO -0.16 0.31 0.56 1.23 -0.53 0.00 0.00 176.83 178.25 2cnp h GLY 21 N 0.70 0.00 0.81 5.77 0.00 -0.75 0.68 103.07 110.29 2cnp h GLY 21 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2cnp h GLY 21 CO -0.25 0.00 -0.72 0.28 0.00 0.00 0.00 176.54 175.85 2cnp n LYS 22 N -3.52 0.13 -1.48 4.80 5.02 -0.03 -4.91 118.16 118.17 2cnp n LYS 22 Ca 0.09 0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.09 2cnp n LYS 22 Cb 0.74 -1.56 0.10 0.00 -0.02 0.00 0.00 35.03 34.30 2cnp n LYS 22 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2cnp s GLU 23 N -3.08 1.90 0.02 1.97 0.41 0.23 -5.01 118.70 115.14 2cnp s GLU 23 Ca 0.08 0.67 -0.23 0.00 -0.41 0.00 0.00 54.97 55.08 2cnp s GLU 23 Cb 0.16 -1.89 -0.13 0.00 -1.78 0.00 0.00 34.13 30.49 2cnp s GLU 23 CO 0.75 -1.76 1.12 0.78 -0.49 0.00 0.00 175.26 175.66 2cnp h GLY 24 N -1.19 -0.87 -7.22 -1.39 0.00 -1.91 -3.34 103.07 87.14 2cnp h GLY 24 Ca -0.48 0.32 -0.59 0.00 0.00 0.00 0.00 47.33 46.59 2cnp h GLY 24 CO 0.58 -0.32 1.27 -0.35 0.00 0.00 0.00 176.54 177.72 2cnp s ASP 25 N -3.89 6.38 0.00 0.19 2.15 -1.26 -4.89 116.67 115.35 2cnp s ASP 25 Ca -0.12 -1.13 0.00 0.00 0.43 0.00 0.00 52.55 51.72 2cnp s ASP 25 Cb 0.01 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2cnp s ASP 25 CO 0.37 -1.59 1.07 0.29 -0.17 0.00 0.00 175.17 175.14 2cnp n LYS 26 N 8.85 0.72 0.00 4.34 5.02 -1.26 -1.96 118.16 133.86 2cnp n LYS 26 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 2cnp n LYS 26 Cb 0.50 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 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 1.13 0.00 -4.34 2.13 8.25 -1.26 -4.62 115.22 116.51 2cnp n HIS 27 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 2cnp n HIS 27 Cb 0.36 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.59 0.61 0.26 1.59 -4.23 -0.83 -3.06 115.64 109.40 2cnp s THR 28 Ca 0.00 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.30 2cnp s THR 28 Cb 0.00 -2.64 0.03 0.00 1.34 0.00 0.00 72.50 71.23 2cnp s THR 28 CO 0.00 0.00 0.78 -1.48 -0.54 0.00 0.00 174.62 173.38 2cnp s LEU 29 N -3.35 -0.22 0.38 4.79 0.05 -0.13 -4.66 118.68 115.55 2cnp s LEU 29 Ca 0.37 -0.61 0.04 0.00 0.05 0.00 0.00 54.13 53.97 2cnp s LEU 29 Cb 0.08 2.62 -0.04 0.00 -2.05 0.00 0.00 46.19 46.79 2cnp s LEU 29 CO 0.14 -1.29 0.07 -0.94 -0.55 0.00 0.00 176.35 173.79 2cnp s SER 30 N -2.94 2.85 0.07 1.48 1.04 -1.26 0.16 113.70 115.09 2cnp s SER 30 Ca 0.12 -1.52 -0.07 0.00 0.48 0.00 0.00 55.95 54.96 2cnp s SER 30 Cb -0.05 0.19 0.05 0.00 0.10 0.00 0.00 66.02 66.31 2cnp s SER 30 CO 0.06 -0.75 0.50 2.29 0.98 0.00 0.00 173.24 176.33 2cnp n LYS 31 N -0.86 -0.10 0.17 4.02 2.85 -1.26 -0.14 118.16 122.84 2cnp n LYS 31 Ca -0.06 0.50 -0.14 0.00 -1.05 0.00 0.00 58.31 57.56 2cnp n LYS 31 Cb 0.66 -0.73 -0.07 0.00 -0.65 0.00 0.00 35.03 34.24 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 -0.58 -0.48 -1.58 1.63 -1.98 0.82 116.57 114.40 2cnp h LYS 32 Ca 0.09 0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.90 2cnp h LYS 32 Cb 0.18 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 2cnp h LYS 32 CO -0.32 -0.39 0.16 0.93 -3.45 0.00 0.00 179.45 176.39 2cnp h GLU 33 N -0.61 0.69 0.01 1.90 3.07 -0.93 -0.17 114.58 118.55 2cnp h GLU 33 Ca 0.00 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 58.75 2cnp h GLU 33 Cb 0.58 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2cnp h GLU 33 CO -0.11 0.59 -0.01 -0.07 -1.40 0.00 0.00 179.01 178.02 2cnp h LEU 34 N 0.68 -0.02 -0.64 1.33 3.38 -0.48 0.26 115.31 119.82 2cnp h LEU 34 Ca 0.16 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.82 2cnp h LEU 34 Cb 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2cnp h LEU 34 CO -0.01 0.32 0.42 0.11 0.09 0.00 0.00 178.44 179.37 2cnp h LYS 35 N -0.35 0.82 0.31 1.13 1.57 -0.65 -0.41 116.57 119.00 2cnp h LYS 35 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2cnp h LYS 35 Cb 0.34 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2cnp h LYS 35 CO 0.00 0.55 -0.26 0.93 -0.57 0.00 0.00 179.45 180.09 2cnp h GLU 36 N 0.85 -0.54 -0.61 3.15 5.08 -0.99 -1.94 114.58 119.58 2cnp h GLU 36 Ca 0.24 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 2cnp h GLU 36 Cb -0.08 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 2cnp h GLU 36 CO -0.06 -0.36 -0.36 1.28 -1.00 0.00 0.00 179.01 178.51 2cnp n LEU 37 N -3.96 -0.65 0.11 1.33 4.77 0.89 -0.03 117.00 119.47 2cnp n LEU 37 Ca -0.07 1.25 -0.13 0.00 -0.03 0.00 0.00 56.01 57.03 2cnp n LEU 37 Cb 0.25 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.04 2cnp n LEU 37 CO 0.15 -0.97 0.80 -0.29 -1.33 0.00 0.00 177.39 175.75 2cnp h ILE 38 N 0.00 0.87 -0.74 -0.08 2.10 -1.10 0.10 117.51 118.66 2cnp h ILE 38 Ca 0.10 -0.09 -0.00 0.00 1.08 0.00 0.00 64.86 65.95 2cnp h ILE 38 Cb 0.25 0.92 -0.04 0.00 -1.09 0.00 0.00 36.82 36.87 2cnp h ILE 38 CO -0.57 0.02 0.46 -0.61 -1.08 0.00 0.00 178.15 176.37 2cnp h GLN 39 N -0.25 0.99 0.19 2.19 4.15 -0.40 0.86 115.11 122.84 2cnp h GLN 39 Ca -0.02 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 2cnp h GLN 39 Cb 0.19 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.67 2cnp h GLN 39 CO 0.03 0.69 -0.09 0.87 -1.93 0.00 0.00 178.83 178.40 2cnp h LYS 40 N 1.00 -0.24 0.00 1.69 1.79 -0.32 -3.38 116.57 117.11 2cnp h LYS 40 Ca 0.27 0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.63 2cnp h LYS 40 Cb -0.06 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 2cnp h LYS 40 CO -0.05 0.15 -1.00 0.93 -1.08 0.00 0.00 179.45 178.40 2cnp h GLU 41 N -0.89 0.00 -3.78 3.15 4.39 -0.79 -3.37 114.58 113.29 2cnp h GLU 41 Ca -0.03 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 58.93 2cnp h GLU 41 Cb 0.51 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 28.86 2cnp h GLU 41 CO 0.04 0.35 -0.14 -0.51 -1.16 0.00 0.00 179.01 177.59 2cnp s LEU 42 N -6.02 6.04 -0.10 1.33 1.43 0.29 -4.97 118.68 116.68 2cnp s LEU 42 Ca 0.00 -2.66 -0.06 0.00 -1.03 0.00 0.00 54.13 50.38 2cnp s LEU 42 Cb 0.08 -2.05 -0.23 0.00 0.03 0.00 0.00 46.19 44.02 2cnp s LEU 42 CO 0.78 -0.51 3.30 0.35 0.23 0.00 0.00 176.35 180.50 2cnp n THR 43 N 3.90 2.81 -3.05 5.49 -2.24 -1.26 -4.55 114.28 115.38 2cnp n THR 43 Ca 0.09 -1.43 -0.44 0.00 -2.27 0.00 0.00 64.05 59.99 2cnp n THR 43 Cb 0.42 -1.99 -0.00 0.00 -2.10 0.00 0.00 70.33 66.66 2cnp n THR 43 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2cnp s ILE 44 N 1.27 5.24 0.14 2.28 1.01 -1.26 -4.82 121.20 125.06 2cnp s ILE 44 Ca 0.61 -2.68 -0.18 0.00 0.00 0.00 0.00 60.65 58.40 2cnp s ILE 44 Cb 0.28 -4.81 0.00 0.00 0.01 0.00 0.00 42.46 37.95 2cnp s ILE 44 CO -0.00 -1.49 1.71 1.23 0.00 0.00 0.00 174.94 176.39 2cnp h GLY 45 N 9.04 0.25 -6.36 6.18 0.00 -1.98 -3.07 103.07 107.13 2cnp h GLY 45 Ca 0.26 0.04 -0.65 0.00 0.00 0.00 0.00 47.33 46.98 2cnp h GLY 45 CO 1.15 -0.06 2.43 1.44 0.00 0.00 0.00 176.54 181.50 2cnp n SER 46 N -5.17 2.81 -4.52 0.19 7.64 -1.26 -4.89 113.62 108.42 2cnp n SER 46 Ca -0.01 -2.68 -0.30 0.00 1.01 0.00 0.00 58.87 56.89 2cnp n SER 46 Cb 0.14 -1.18 -0.15 0.00 -1.01 0.00 0.00 64.21 62.01 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 6.75 0.24 -1.67 1.43 4.76 -1.16 -4.78 118.16 123.73 2cnp n LYS 47 Ca 0.50 -0.11 -0.44 0.00 -2.87 0.00 0.00 58.31 55.39 2cnp n LYS 47 Cb 0.39 -1.93 -0.03 0.00 -1.84 0.00 0.00 35.03 31.61 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 10.82 3.99 0.00 -0.35 4.77 -1.26 -4.71 117.00 130.26 2cnp n LEU 48 Ca 0.60 0.92 0.00 0.00 -0.03 0.00 0.00 56.01 57.50 2cnp n LEU 48 Cb 0.20 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.80 2cnp n LEU 48 CO 0.90 0.14 0.00 1.67 -1.33 0.00 0.00 177.39 178.78 2cnp n GLN 49 N 7.25 0.00 0.00 3.23 7.27 -1.26 -3.65 117.38 130.23 2cnp n GLN 49 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.28 2cnp n GLN 49 Cb 0.38 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.03 2cnp n GLN 49 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 2cnp n ASP 50 N 5.62 0.00 -0.29 1.69 5.68 -1.26 -4.96 116.55 123.03 2cnp n ASP 50 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.24 2cnp n ASP 50 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.95 2cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cnp n ALA 51 N -1.53 -0.33 -0.20 2.12 0.00 -1.24 -0.62 120.51 118.72 2cnp n ALA 51 Ca 0.00 0.64 -0.09 0.00 0.00 0.00 0.00 53.44 53.98 2cnp n ALA 51 Cb 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 19.45 19.29 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 0.99 0.23 0.00 4.81 -1.89 0.14 114.58 118.86 2cnp h GLU 52 Ca 0.16 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 2cnp h GLU 52 Cb 0.34 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2cnp h GLU 52 CO -0.68 0.98 -0.11 0.82 -0.73 0.00 0.00 179.01 179.29 2cnp h ILE 53 N 0.88 0.82 -0.41 2.32 5.03 -1.20 -0.88 117.51 124.06 2cnp h ILE 53 Ca 0.16 -0.30 0.07 0.00 -0.12 0.00 0.00 64.86 64.67 2cnp h ILE 53 Cb 0.52 1.00 -0.06 0.00 -3.03 0.00 0.00 36.82 35.25 2cnp h ILE 53 CO 0.03 0.07 0.05 0.58 -0.68 0.00 0.00 178.15 178.20 2cnp h VAL 54 N -0.46 0.75 -0.12 1.67 2.07 -0.70 -1.92 116.25 117.54 2cnp h VAL 54 Ca -0.03 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2cnp h VAL 54 Cb 0.35 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2cnp h VAL 54 CO 0.05 0.03 -0.21 0.11 0.02 0.00 0.00 177.57 177.57 2cnp h LYS 55 N 0.17 -0.26 -0.82 1.57 6.56 -0.48 0.33 116.57 123.63 2cnp h LYS 55 Ca 0.20 0.02 0.14 0.00 -1.06 0.00 0.00 60.65 59.94 2cnp h LYS 55 Cb 0.26 0.06 -0.09 0.00 -0.57 0.00 0.00 32.23 31.89 2cnp h LYS 55 CO -0.29 -0.18 0.42 -0.07 -2.06 0.00 0.00 179.45 177.27 2cnp h LEU 56 N -0.27 0.51 0.28 2.94 3.38 -0.50 0.01 115.31 121.65 2cnp h LEU 56 Ca 0.10 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2cnp h LEU 56 Cb 0.41 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2cnp h LEU 56 CO -0.28 0.23 -0.13 0.24 0.09 0.00 0.00 178.44 178.58 2cnp h MET 57 N 0.61 -0.36 -0.95 1.13 2.86 -0.85 -3.36 114.93 114.02 2cnp h MET 57 Ca 0.44 0.02 0.27 0.00 -2.06 0.00 0.00 59.70 58.37 2cnp h MET 57 Cb 0.60 0.08 -0.18 0.00 0.06 0.00 0.00 31.60 32.17 2cnp h MET 57 CO -0.35 -0.24 0.04 -3.47 1.06 0.00 0.00 176.91 173.95 2cnp n ASP 58 N -4.04 -0.10 -0.34 1.22 2.03 0.11 -0.83 116.55 114.61 2cnp n ASP 58 Ca -0.05 1.61 0.09 0.00 0.52 0.00 0.00 54.79 56.96 2cnp n ASP 58 Cb 0.15 -0.59 0.18 0.00 -0.72 0.00 0.00 41.12 40.14 2cnp n ASP 58 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2cnp n ASP 59 N -5.40 -0.26 0.05 1.67 2.03 -0.03 -0.38 116.55 114.24 2cnp n ASP 59 Ca 0.23 1.62 -0.11 0.00 0.52 0.00 0.00 54.79 57.04 2cnp n ASP 59 Cb 0.75 -0.52 -0.05 0.00 -0.72 0.00 0.00 41.12 40.57 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 -0.30 -0.57 -2.67 4.07 -1.18 0.14 115.31 114.80 2cnp h LEU 60 Ca 0.50 0.05 -0.08 0.00 0.08 0.00 0.00 57.88 58.42 2cnp h LEU 60 Cb 0.86 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.71 2cnp h LEU 60 CO -0.94 -0.15 0.03 -0.78 -1.08 0.00 0.00 178.44 175.51 2cnp h ASP 61 N -0.19 0.97 -0.83 -0.43 3.58 -1.21 0.20 116.42 118.52 2cnp h ASP 61 Ca 0.04 -0.29 0.01 0.00 0.42 0.00 0.00 57.03 57.20 2cnp h ASP 61 Cb 0.23 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 2cnp h ASP 61 CO -0.10 1.02 0.55 -0.09 -2.88 0.00 0.00 179.24 177.74 2cnp h ARG 62 N 0.88 1.09 0.00 0.28 2.43 -0.26 -3.32 114.38 115.48 2cnp h ARG 62 Ca 0.16 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2cnp h ARG 62 Cb 0.51 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2cnp h ARG 62 CO 0.02 0.73 -0.38 -0.91 -1.51 0.00 0.00 179.97 177.92 2cnp h ASN 63 N 1.13 0.00 0.00 -3.80 2.35 -0.88 -3.47 115.58 110.91 2cnp h ASN 63 Ca 0.30 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2cnp h ASN 63 Cb -0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2cnp h ASN 63 CO -0.06 0.70 0.00 0.29 -1.65 0.00 0.00 177.43 176.71 2cnp n LYS 64 N -4.66 0.00 0.00 0.81 5.02 0.70 -0.38 118.16 119.65 2cnp n LYS 64 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2cnp n LYS 64 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 2cnp n LYS 64 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2cnp n ASP 65 N 0.97 0.37 -4.71 4.39 8.00 -1.26 -5.04 116.55 119.27 2cnp n ASP 65 Ca 0.00 -0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.07 2cnp n ASP 65 Cb 0.00 0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 2cnp n ASP 65 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2cnp s GLN 66 N -0.17 4.37 0.10 -1.24 2.00 0.49 -5.00 119.66 120.21 2cnp s GLN 66 Ca 0.00 1.94 -0.30 0.00 -2.00 0.00 0.00 55.36 54.99 2cnp s GLN 66 Cb 0.00 -3.31 -0.06 0.00 0.80 0.00 0.00 33.01 30.44 2cnp s GLN 66 CO 0.00 -0.37 1.19 -1.21 -0.50 0.00 0.00 175.29 174.40 2cnp s GLU 67 N 1.16 4.47 0.38 1.67 8.01 -1.26 -4.62 118.70 128.51 2cnp s GLU 67 Ca 0.62 1.79 -0.17 0.00 0.01 0.00 0.00 54.97 57.22 2cnp s GLU 67 Cb -0.33 -3.31 -0.09 0.00 -4.31 0.00 0.00 34.13 26.08 2cnp s GLU 67 CO 0.29 -0.18 0.84 0.14 0.01 0.00 0.00 175.26 176.37 2cnp s VAL 68 N 0.64 4.57 0.75 2.63 -7.23 0.12 -4.79 120.40 117.09 2cnp s VAL 68 Ca 0.56 1.15 -0.04 0.00 -1.81 0.00 0.00 61.98 61.84 2cnp s VAL 68 Cb -0.30 -3.62 0.13 0.00 0.56 0.00 0.00 36.38 33.15 2cnp s VAL 68 CO 0.32 -0.30 1.04 0.54 -0.31 0.00 0.00 175.10 176.39 2cnp s ASN 69 N -2.37 4.20 0.13 4.85 4.22 -1.26 -0.95 114.94 123.76 2cnp s ASN 69 Ca 0.57 -0.20 -0.30 0.00 -2.14 0.00 0.00 52.86 50.79 2cnp s ASN 69 Cb -0.10 -0.15 -0.09 0.00 1.28 0.00 0.00 41.25 42.19 2cnp s ASN 69 CO 0.18 -1.96 1.50 0.15 -2.04 0.00 0.00 177.10 174.92 2cnp h PHE 70 N -0.69 -1.61 -0.49 1.54 3.57 -1.93 0.38 116.94 117.70 2cnp h PHE 70 Ca -0.38 0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.17 2cnp h PHE 70 Cb 1.27 0.77 -0.02 0.00 2.79 0.00 0.00 35.95 40.75 2cnp h PHE 70 CO -0.30 -0.42 0.18 0.37 -2.23 0.00 0.00 178.31 175.90 2cnp h GLN 71 N -0.28 0.72 -0.63 1.11 5.75 -1.95 0.13 115.11 119.96 2cnp h GLN 71 Ca 0.09 -0.11 -0.08 0.00 -0.15 0.00 0.00 58.65 58.40 2cnp h GLN 71 Cb 0.50 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 2cnp h GLN 71 CO -0.62 0.60 0.07 0.93 -2.65 0.00 0.00 178.83 177.16 2cnp h GLU 72 N 0.71 1.06 -0.08 1.69 4.39 -1.81 0.41 114.58 120.95 2cnp h GLU 72 Ca 0.17 -0.30 0.03 0.00 0.34 0.00 0.00 59.36 59.60 2cnp h GLU 72 Cb 0.17 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 2cnp h GLU 72 CO -0.01 1.00 -0.14 -0.92 -1.16 0.00 0.00 179.01 177.78 2cnp h TYR 73 N 0.96 -0.34 -1.00 4.33 3.20 0.22 0.34 116.97 124.68 2cnp h TYR 73 Ca 0.19 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.15 2cnp h TYR 73 Cb 0.47 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.84 2cnp h TYR 73 CO 0.03 -0.20 0.64 0.82 -1.64 0.00 0.00 178.16 177.82 2cnp h ILE 74 N -0.19 1.04 -0.71 1.81 1.08 -0.42 -1.31 117.51 118.81 2cnp h ILE 74 Ca 0.07 -0.38 -0.06 0.00 -0.39 0.00 0.00 64.86 64.10 2cnp h ILE 74 Cb 0.29 -0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 33.83 2cnp h ILE 74 CO -0.19 0.20 0.20 0.74 -0.69 0.00 0.00 178.15 178.41 2cnp h THR 75 N 1.12 1.26 0.02 -0.27 2.02 0.40 0.31 112.91 117.77 2cnp h THR 75 Ca 0.45 -0.93 0.03 0.00 0.77 0.00 0.00 66.41 66.73 2cnp h THR 75 Cb 0.26 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 2cnp h THR 75 CO -0.20 0.36 -0.21 0.15 0.37 0.00 0.00 175.52 175.99 2cnp h PHE 76 N 1.07 -0.56 -0.76 3.16 3.57 0.14 0.19 116.94 123.76 2cnp h PHE 76 Ca 0.23 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2cnp h PHE 76 Cb 0.33 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 2cnp h PHE 76 CO 0.03 -0.30 0.49 -0.07 -2.23 0.00 0.00 178.31 176.22 2cnp h LEU 77 N -0.35 0.88 -0.27 0.59 3.38 -0.94 -0.27 115.31 118.35 2cnp h LEU 77 Ca 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2cnp h LEU 77 Cb 0.41 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2cnp h LEU 77 CO -0.18 0.66 0.13 1.23 0.09 0.00 0.00 178.44 180.37 2cnp h GLY 78 N 1.03 0.41 0.89 0.83 0.00 -0.00 0.11 103.07 106.34 2cnp h GLY 78 Ca 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 2cnp h GLY 78 CO -0.06 0.19 0.05 0.00 0.00 0.00 0.00 176.54 176.72 2cnp h ALA 79 N 0.99 0.13 -0.06 3.60 0.00 -0.44 0.92 119.26 124.39 2cnp h ALA 79 Ca 0.09 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2cnp h ALA 79 Cb 0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 2cnp h ALA 79 CO -0.01 -0.30 -0.45 1.25 0.00 0.00 0.00 179.25 179.73 2cnp h LEU 80 N 0.03 -1.40 -0.37 0.00 5.85 -0.86 0.83 115.31 119.39 2cnp h LEU 80 Ca 0.03 0.17 0.07 0.00 0.84 0.00 0.00 57.88 59.00 2cnp h LEU 80 Cb 0.13 0.55 -0.09 0.00 0.37 0.00 0.00 40.66 41.63 2cnp h LEU 80 CO -0.00 -0.46 -0.34 0.00 -0.34 0.00 0.00 178.44 177.29 2cnp h ALA 81 N -0.07 -0.24 -0.17 1.25 0.00 -0.67 -1.58 119.26 117.77 2cnp h ALA 81 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2cnp h ALA 81 Cb 0.66 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2cnp h ALA 81 CO -0.37 -0.76 0.11 1.98 0.00 0.00 0.00 179.25 180.22 2cnp h MET 82 N -0.28 0.22 0.40 0.00 1.85 -0.27 0.21 114.93 117.07 2cnp h MET 82 Ca 0.16 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.22 2cnp h MET 82 Cb 0.55 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.53 2cnp h MET 82 CO -0.52 0.15 -0.21 0.82 -0.40 0.00 0.00 176.91 176.74 2cnp h ILE 83 N 0.23 0.56 0.03 1.77 2.04 -0.47 -3.28 117.51 118.39 2cnp h ILE 83 Ca 0.06 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.66 2cnp h ILE 83 Cb -0.03 0.56 0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2cnp h ILE 83 CO -0.01 0.00 -1.07 0.10 0.00 0.00 0.00 178.15 177.17 2cnp h TYR 84 N -0.57 0.91 -0.36 1.37 -0.00 -1.22 -3.33 116.97 113.77 2cnp h TYR 84 Ca -0.05 -0.52 -0.70 0.00 0.00 0.00 0.00 58.73 57.47 2cnp h TYR 84 Cb 0.45 -0.10 -0.06 0.00 0.00 0.00 0.00 36.73 37.03 2cnp h TYR 84 CO -0.06 1.35 2.74 0.09 -0.00 0.00 0.00 178.16 182.28 2cnp n ASN 85 N -3.80 4.30 -0.27 0.10 3.02 0.74 -4.80 115.26 114.55 2cnp n ASN 85 Ca -0.10 -2.87 0.19 0.00 -0.03 0.00 0.00 54.58 51.77 2cnp n ASN 85 Cb 0.90 -1.69 0.36 0.00 -0.61 0.00 0.00 39.78 38.74 2cnp n ASN 85 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2cnp n GLU 86 N 7.07 -0.06 -0.33 3.52 0.00 -1.25 -0.50 120.64 129.09 2cnp n GLU 86 Ca 0.51 1.17 0.27 0.00 0.00 0.00 0.00 57.16 59.11 2cnp n GLU 86 Cb 0.42 -1.99 0.50 0.00 0.00 0.00 0.00 31.44 30.38 2cnp n GLU 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2cnp n ALA 87 N -2.81 0.87 0.25 -1.84 0.00 -1.26 -0.47 120.51 115.24 2cnp n ALA 87 Ca 0.25 1.03 0.08 0.00 0.00 0.00 0.00 53.44 54.81 2cnp n ALA 87 Cb 0.85 -0.95 0.62 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 -4.97 0.00 3.38 -1.07 -2.79 115.31 109.86 2cnp h LEU 88 Ca 0.78 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 58.22 2cnp h LEU 88 Cb 1.95 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.71 2cnp h LEU 88 CO -0.82 0.11 2.96 0.29 0.09 0.00 0.00 178.44 181.07 2cnp n LYS 89 N -4.17 3.04 0.00 1.13 4.01 0.37 -5.10 118.16 117.44 2cnp n LYS 89 Ca -0.03 -1.83 0.15 0.00 -0.51 0.00 0.00 58.31 56.10 2cnp n LYS 89 Cb 0.19 -2.59 0.84 0.00 -0.51 0.00 0.00 35.03 32.96 2cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70