#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 1.12 3.17 0.00 -1.26 -4.90 121.76 121.98 2cnp s ALA 2 Ca 0.00 -2.28 -0.12 0.00 0.00 0.00 0.00 51.96 49.56 2cnp s ALA 2 Cb 0.00 -4.67 0.26 0.00 0.00 0.00 0.00 23.12 18.71 2cnp s ALA 2 CO 0.00 -4.83 1.05 -1.54 0.00 0.00 0.00 175.76 170.44 2cnp s SER 3 N 6.11 1.28 0.25 0.00 1.04 -1.26 -4.64 113.70 116.48 2cnp s SER 3 Ca 0.65 1.67 -0.03 0.00 0.48 0.00 0.00 55.95 58.72 2cnp s SER 3 Cb -0.00 -2.37 0.50 0.00 0.10 0.00 0.00 66.02 64.25 2cnp s SER 3 CO 0.11 -4.04 1.72 -0.65 0.98 0.00 0.00 173.24 171.37 2cnp h PRO 4 N -2.51 0.40 0.20 4.02 0.11 -1.99 0.80 132.00 133.04 2cnp h PRO 4 Ca -0.58 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.52 2cnp h PRO 4 Cb 1.32 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 2cnp h PRO 4 CO 0.48 0.27 -0.41 -0.07 -0.21 0.00 0.00 178.00 178.06 2cnp h LEU 5 N 0.41 -1.18 -0.52 2.35 3.38 -1.98 0.12 115.31 117.88 2cnp h LEU 5 Ca 0.44 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.63 2cnp h LEU 5 Cb 0.70 0.43 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 2cnp h LEU 5 CO -0.44 -0.51 0.08 -0.78 0.09 0.00 0.00 178.44 176.88 2cnp h ASP 6 N -0.70 -0.06 -0.09 -0.43 3.58 -1.57 0.14 116.42 117.29 2cnp h ASP 6 Ca 0.00 0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.57 2cnp h ASP 6 Cb 0.69 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 2cnp h ASP 6 CO -0.19 -0.01 0.03 -0.61 -2.88 0.00 0.00 179.24 175.59 2cnp h GLN 7 N 0.20 0.08 -0.30 0.28 4.15 -0.73 0.11 115.11 118.89 2cnp h GLN 7 Ca 0.27 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 2cnp h GLN 7 Cb 0.38 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 2cnp h GLN 7 CO -0.37 0.05 0.16 0.00 -1.93 0.00 0.00 178.83 176.74 2cnp h ALA 8 N 1.05 0.39 -0.16 3.38 0.00 0.10 0.19 119.26 124.21 2cnp h ALA 8 Ca 0.04 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2cnp h ALA 8 Cb 0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2cnp h ALA 8 CO -0.04 -0.08 -0.13 0.82 0.00 0.00 0.00 179.25 179.83 2cnp h ILE 9 N 0.37 0.63 -0.65 0.00 2.04 -0.68 -1.03 117.51 118.18 2cnp h ILE 9 Ca 0.11 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.10 2cnp h ILE 9 Cb 0.07 0.63 -0.12 0.00 -0.74 0.00 0.00 36.82 36.66 2cnp h ILE 9 CO -0.02 0.00 -0.18 1.23 0.00 0.00 0.00 178.15 179.18 2cnp h GLY 10 N -0.14 0.42 0.47 5.37 0.00 -0.05 0.70 103.07 109.84 2cnp h GLY 10 Ca 0.10 0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.69 2cnp h GLY 10 CO -0.25 -0.25 -0.26 1.41 0.00 0.00 0.00 176.54 177.19 2cnp h LEU 11 N -0.02 -0.76 -0.66 3.11 3.38 0.02 0.17 115.31 120.55 2cnp h LEU 11 Ca 0.31 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.40 2cnp h LEU 11 Cb 0.49 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2cnp h LEU 11 CO -0.68 -0.34 0.41 -0.07 0.09 0.00 0.00 178.44 177.85 2cnp h LEU 12 N -0.44 0.68 0.14 1.67 4.07 -0.09 0.90 115.31 122.23 2cnp h LEU 12 Ca 0.05 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2cnp h LEU 12 Cb 0.49 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 2cnp h LEU 12 CO -0.19 0.47 -0.12 0.40 -1.08 0.00 0.00 178.44 177.92 2cnp h ILE 13 N 0.81 0.73 0.17 1.22 2.04 -0.70 0.05 117.51 121.82 2cnp h ILE 13 Ca 0.26 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.14 2cnp h ILE 13 Cb 0.01 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 2cnp h ILE 13 CO -0.10 0.00 -0.26 1.23 0.00 0.00 0.00 178.15 179.02 2cnp h GLY 14 N -0.28 -0.52 0.00 5.37 0.00 -0.15 0.12 103.07 107.62 2cnp h GLY 14 Ca 0.00 0.30 0.10 0.00 0.00 0.00 0.00 47.33 47.73 2cnp h GLY 14 CO -0.02 -0.23 -0.13 -2.22 0.00 0.00 0.00 176.54 173.94 2cnp h ILE 15 N -0.50 0.49 0.22 2.60 1.08 -0.82 0.12 117.51 120.70 2cnp h ILE 15 Ca 0.02 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.49 2cnp h ILE 15 Cb 0.50 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 34.72 2cnp h ILE 15 CO -0.12 0.00 -0.38 0.15 -0.69 0.00 0.00 178.15 177.11 2cnp h PHE 16 N -0.01 -1.09 0.00 1.37 3.57 -0.20 -2.71 116.94 117.88 2cnp h PHE 16 Ca 0.24 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 2cnp h PHE 16 Cb 0.37 0.45 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 2cnp h PHE 16 CO -0.43 -0.47 -0.06 0.45 -2.23 0.00 0.00 178.31 175.58 2cnp h HIS 17 N -0.64 0.00 -0.28 0.41 3.86 -0.59 0.20 115.15 118.10 2cnp h HIS 17 Ca -0.02 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.27 2cnp h HIS 17 Cb 0.60 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 2cnp h HIS 17 CO -0.32 0.06 0.37 -0.22 0.86 0.00 0.00 177.93 178.68 2cnp h LYS 18 N 0.00 0.00 0.00 2.45 3.64 -0.44 0.69 116.57 122.91 2cnp h LYS 18 Ca -0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2cnp h LYS 18 Cb 0.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2cnp h LYS 18 CO 0.01 0.00 -1.22 0.66 -2.27 0.00 0.00 179.45 176.63 2cnp n TYR 19 N -3.59 0.00 0.08 1.91 4.02 0.04 -4.79 117.16 114.84 2cnp n TYR 19 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.83 2cnp n TYR 19 Cb 0.51 -0.15 -0.12 0.00 -0.02 0.00 0.00 39.34 39.55 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 0.00 0.17 0.00 7.72 4.64 -0.68 -3.41 113.55 122.00 2cnp h SER 20 Ca -0.09 -0.18 -0.59 0.00 -0.47 0.00 0.00 61.79 60.46 2cnp h SER 20 Cb 1.15 -0.06 0.02 0.00 -0.31 0.00 0.00 62.40 63.20 2cnp h SER 20 CO -0.01 1.14 3.35 0.61 -0.87 0.00 0.00 176.83 181.05 2cnp n GLY 21 N 1.40 3.87 0.00 -0.77 0.00 0.23 -4.45 105.19 105.47 2cnp n GLY 21 Ca -0.03 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 4.24 0.00 -3.80 1.61 5.02 -1.26 -4.95 118.16 119.03 2cnp n LYS 22 Ca 0.65 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.84 2cnp n LYS 22 Cb 0.23 -0.03 -0.07 0.00 -0.02 0.00 0.00 35.03 35.14 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 0.00 0.90 3.98 1.97 2.02 -1.26 -5.02 118.70 121.28 2cnp s GLU 23 Ca 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.09 2cnp s GLU 23 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.60 2cnp s GLU 23 CO 0.00 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.39 2cnp n GLY 24 N -0.10 1.18 2.40 -1.39 0.00 -1.26 -3.63 105.19 102.39 2cnp n GLY 24 Ca -0.15 0.53 -0.39 0.00 0.00 0.00 0.00 46.02 46.00 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 8.98 7.77 0.23 1.61 -0.08 -1.26 -4.72 116.55 129.07 2cnp n ASP 25 Ca 0.00 -2.62 0.15 0.00 -1.51 0.00 0.00 54.79 50.82 2cnp n ASP 25 Cb 0.00 -1.57 0.83 0.00 2.34 0.00 0.00 41.12 42.72 2cnp n ASP 25 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2cnp h LYS 26 N 5.22 0.00 -0.35 -0.67 1.57 -1.78 0.03 116.57 120.60 2cnp h LYS 26 Ca 0.81 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.59 2cnp h LYS 26 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2cnp h LYS 26 CO 1.80 0.00 0.00 -2.39 -0.57 0.00 0.00 179.45 178.29 2cnp n HIS 27 N -2.56 0.46 -4.48 -1.35 1.44 -1.26 -3.64 115.22 103.83 2cnp n HIS 27 Ca -0.02 -0.23 -0.23 0.00 -2.01 0.00 0.00 57.72 55.23 2cnp n HIS 27 Cb 0.05 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.05 2cnp n HIS 27 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 2cnp s THR 28 N -1.54 1.93 0.00 0.61 -4.23 -0.00 -2.29 115.64 110.11 2cnp s THR 28 Ca 0.24 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2cnp s THR 28 Cb 0.13 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.44 2cnp s THR 28 CO 0.17 -0.26 0.00 0.00 -0.54 0.00 0.00 174.62 173.98 2cnp n LEU 29 N -0.67 0.00 0.00 4.79 -0.00 0.04 -4.60 117.00 116.56 2cnp n LEU 29 Ca -0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.86 2cnp n LEU 29 Cb 0.63 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.06 2cnp n LEU 29 CO 0.41 0.00 0.42 -1.20 -0.00 0.00 0.00 177.39 177.02 2cnp n SER 30 N -0.52 -1.98 0.00 1.45 7.64 -1.26 -0.68 113.62 118.27 2cnp n SER 30 Ca 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.26 2cnp n SER 30 Cb 0.00 3.37 0.00 0.00 -1.01 0.00 0.00 64.21 66.57 2cnp n SER 30 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2cnp n LYS 31 N -0.53 0.00 -0.02 1.43 5.02 -1.26 -0.91 118.16 121.89 2cnp n LYS 31 Ca -0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.14 2cnp n LYS 31 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.56 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 -0.19 -0.74 1.97 3.64 -1.98 0.30 116.57 119.57 2cnp h LYS 32 Ca 0.00 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2cnp h LYS 32 Cb 0.00 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 2cnp h LYS 32 CO 0.00 -0.13 0.47 0.93 -2.27 0.00 0.00 179.45 178.45 2cnp h GLU 33 N -0.20 0.90 0.00 1.90 3.07 -1.47 0.89 114.58 119.68 2cnp h GLU 33 Ca 0.11 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2cnp h GLU 33 Cb 0.37 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2cnp h GLU 33 CO -0.30 0.59 -0.00 -0.07 -1.40 0.00 0.00 179.01 177.83 2cnp h LEU 34 N 0.92 -0.00 -0.41 1.33 3.38 -0.10 0.23 115.31 120.66 2cnp h LEU 34 Ca 0.29 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.21 2cnp h LEU 34 Cb -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2cnp h LEU 34 CO -0.10 0.08 0.23 0.11 0.09 0.00 0.00 178.44 178.84 2cnp h LYS 35 N -0.08 0.44 0.00 1.13 1.57 -0.59 -1.12 116.57 117.92 2cnp h LYS 35 Ca -0.00 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2cnp h LYS 35 Cb 0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2cnp h LYS 35 CO 0.00 0.29 -0.13 0.93 -0.57 0.00 0.00 179.45 179.98 2cnp h GLU 36 N 0.46 -0.21 -0.30 3.15 3.07 -0.74 -0.18 114.58 119.83 2cnp h GLU 36 Ca 0.17 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.08 2cnp h GLU 36 Cb 0.04 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 27.93 2cnp h GLU 36 CO -0.09 -0.14 -0.50 -0.07 -1.40 0.00 0.00 179.01 176.81 2cnp h LEU 37 N -0.22 -1.64 0.19 1.33 3.38 -0.02 0.20 115.31 118.54 2cnp h LEU 37 Ca 0.04 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2cnp h LEU 37 Cb 0.27 0.66 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2cnp h LEU 37 CO -0.13 -0.38 -0.12 -0.29 0.09 0.00 0.00 178.44 177.62 2cnp h ILE 38 N -0.40 0.75 -0.28 1.22 2.10 -1.13 0.12 117.51 119.89 2cnp h ILE 38 Ca 0.06 0.00 0.06 0.00 1.08 0.00 0.00 64.86 66.05 2cnp h ILE 38 Cb 0.55 0.75 -0.06 0.00 -1.09 0.00 0.00 36.82 36.98 2cnp h ILE 38 CO -0.50 0.00 -0.09 -0.61 -1.08 0.00 0.00 178.15 175.87 2cnp h GLN 39 N -0.30 -0.03 0.03 2.19 4.15 -0.59 0.67 115.11 121.23 2cnp h GLN 39 Ca -0.02 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 2cnp h GLN 39 Cb 0.25 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.95 2cnp h GLN 39 CO 0.02 -0.02 -0.01 0.87 -1.93 0.00 0.00 178.83 177.75 2cnp h LYS 40 N -0.03 -0.04 0.00 1.69 6.56 -0.59 -3.39 116.57 120.77 2cnp h LYS 40 Ca 0.14 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.63 2cnp h LYS 40 Cb 0.24 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.90 2cnp h LYS 40 CO -0.30 0.60 -0.54 0.93 -2.06 0.00 0.00 179.45 178.08 2cnp h GLU 41 N -0.94 0.00 -3.53 3.15 4.39 -0.73 -3.33 114.58 113.59 2cnp h GLU 41 Ca -0.00 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 58.95 2cnp h GLU 41 Cb 0.66 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 28.99 2cnp h GLU 41 CO 0.01 0.41 0.05 -0.51 -1.16 0.00 0.00 179.01 177.81 2cnp s LEU 42 N -6.34 5.95 -0.92 1.33 1.43 0.22 -4.96 118.68 115.39 2cnp s LEU 42 Ca 0.04 -3.34 -0.07 0.00 -1.03 0.00 0.00 54.13 49.73 2cnp s LEU 42 Cb 0.07 -2.04 -0.10 0.00 0.03 0.00 0.00 46.19 44.15 2cnp s LEU 42 CO 0.74 -0.32 2.60 0.35 0.23 0.00 0.00 176.35 179.95 2cnp n THR 43 N 2.96 3.03 -0.00 5.49 -2.24 -1.25 -4.55 114.28 117.71 2cnp n THR 43 Ca 0.18 -1.75 -0.12 0.00 -2.27 0.00 0.00 64.05 60.09 2cnp n THR 43 Cb 0.40 -2.23 -0.10 0.00 -2.10 0.00 0.00 70.33 66.30 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 2.98 1.26 0.00 2.28 2.04 -1.90 -3.47 117.51 120.71 2cnp h ILE 44 Ca 0.53 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.99 2cnp h ILE 44 Cb 0.46 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 2cnp h ILE 44 CO 1.26 0.33 0.00 0.61 0.00 0.00 0.00 178.15 180.36 2cnp n GLY 45 N 0.68 1.04 3.34 5.37 0.00 -1.26 -4.67 105.19 109.69 2cnp n GLY 45 Ca -0.08 -0.01 -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 2.32 2.62 -2.89 1.61 7.64 -1.26 -4.86 113.62 118.80 2cnp n SER 46 Ca 0.00 -2.67 -0.15 0.00 1.01 0.00 0.00 58.87 57.06 2cnp n SER 46 Cb 0.00 -1.35 -0.14 0.00 -1.01 0.00 0.00 64.21 61.71 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 7.62 0.00 -1.88 1.43 4.76 -1.26 -4.75 118.16 124.08 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 0.43 -0.67 -0.03 0.00 -1.84 0.00 0.00 35.03 32.92 2cnp n LYS 47 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2cnp s LEU 48 N 0.55 3.69 0.00 -0.35 1.43 -1.26 -4.62 118.68 118.11 2cnp s LEU 48 Ca 0.85 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 2cnp s LEU 48 Cb -0.57 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.13 2cnp s LEU 48 CO 0.36 -1.59 0.00 1.67 0.23 0.00 0.00 176.35 177.03 2cnp n GLN 49 N 8.22 0.00 0.00 1.70 7.27 -1.26 -3.61 117.38 129.70 2cnp n GLN 49 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.30 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 1.44 0.00 -0.24 1.69 2.03 -1.26 -4.99 116.55 115.21 2cnp n ASP 50 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 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 -1.94 -0.37 -0.25 -1.67 0.00 -1.24 -0.58 120.51 114.46 2cnp n ALA 51 Ca 0.00 0.49 -0.04 0.00 0.00 0.00 0.00 53.44 53.89 2cnp n ALA 51 Cb 0.00 0.04 0.07 0.00 0.00 0.00 0.00 19.45 19.56 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 0.36 0.00 4.81 -1.88 0.38 114.58 119.15 2cnp h GLU 52 Ca 0.09 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2cnp h GLU 52 Cb 0.24 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2cnp h GLU 52 CO -0.54 0.59 -0.17 0.82 -0.73 0.00 0.00 179.01 178.98 2cnp h ILE 53 N 0.92 0.65 0.51 2.32 5.03 -1.14 -0.77 117.51 125.03 2cnp h ILE 53 Ca 0.27 -0.08 -0.01 0.00 -0.12 0.00 0.00 64.86 64.92 2cnp h ILE 53 Cb -0.05 0.69 -0.02 0.00 -3.03 0.00 0.00 36.82 34.42 2cnp h ILE 53 CO -0.08 0.02 -0.45 0.58 -0.68 0.00 0.00 178.15 177.54 2cnp h VAL 54 N -0.53 0.11 -0.93 1.67 2.07 -0.71 -3.00 116.25 114.92 2cnp h VAL 54 Ca -0.05 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.64 2cnp h VAL 54 Cb 0.40 0.11 -0.17 0.00 -1.52 0.00 0.00 31.29 30.11 2cnp h VAL 54 CO 0.08 0.00 -0.29 0.11 0.02 0.00 0.00 177.57 177.49 2cnp h LYS 55 N -0.95 -0.01 -0.70 1.57 6.56 -0.60 0.49 116.57 122.92 2cnp h LYS 55 Ca -0.06 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.61 2cnp h LYS 55 Cb 0.82 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.42 2cnp h LYS 55 CO -0.03 -0.01 0.38 -0.07 -2.06 0.00 0.00 179.45 177.66 2cnp h LEU 56 N -0.01 0.54 0.00 2.94 3.38 -1.01 0.57 115.31 121.72 2cnp h LEU 56 Ca 0.40 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.41 2cnp h LEU 56 Cb 0.65 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2cnp h LEU 56 CO -0.95 0.33 -0.13 0.24 0.09 0.00 0.00 178.44 178.02 2cnp h MET 57 N 0.68 0.00 -1.63 1.13 2.86 -1.05 -3.35 114.93 113.57 2cnp h MET 57 Ca 0.33 0.00 0.48 0.00 -2.06 0.00 0.00 59.70 58.45 2cnp h MET 57 Cb 0.26 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.84 2cnp h MET 57 CO -0.22 0.17 1.15 0.22 1.06 0.00 0.00 176.91 179.29 2cnp h ASP 58 N -1.00 0.06 -0.86 1.22 3.58 -0.10 -1.30 116.42 118.01 2cnp h ASP 58 Ca -0.01 0.03 0.30 0.00 0.42 0.00 0.00 57.03 57.76 2cnp h ASP 58 Cb 0.26 0.02 -0.16 0.00 1.72 0.00 0.00 39.33 41.18 2cnp h ASP 58 CO -0.01 -0.03 0.23 -0.67 -2.88 0.00 0.00 179.24 175.88 2cnp n ASP 59 N -4.16 0.09 0.34 2.28 2.03 0.19 -0.15 116.55 117.17 2cnp n ASP 59 Ca 0.38 1.45 -0.18 0.00 0.52 0.00 0.00 54.79 56.96 2cnp n ASP 59 Cb 1.68 -0.61 -0.09 0.00 -0.72 0.00 0.00 41.12 41.39 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 -0.98 -0.50 -2.67 -0.00 -1.50 -0.88 115.31 108.78 2cnp h LEU 60 Ca 0.62 0.06 0.03 0.00 -0.00 0.00 0.00 57.88 58.59 2cnp h LEU 60 Cb 1.49 0.29 -0.03 0.00 -0.00 0.00 0.00 40.66 42.40 2cnp h LEU 60 CO -0.74 -0.59 0.29 0.44 -0.00 0.00 0.00 178.44 177.84 2cnp h ASP 61 N -0.94 0.47 -0.70 -0.43 5.19 -1.09 0.32 116.42 119.25 2cnp h ASP 61 Ca -0.07 0.01 0.14 0.00 -0.62 0.00 0.00 57.03 56.49 2cnp h ASP 61 Cb 0.77 -0.09 -0.10 0.00 0.18 0.00 0.00 39.33 40.08 2cnp h ASP 61 CO 0.06 0.33 0.17 -0.09 -3.12 0.00 0.00 179.24 176.59 2cnp h ARG 62 N 0.59 0.27 0.04 3.56 9.65 -0.42 -1.71 114.38 126.36 2cnp h ARG 62 Ca 0.20 -0.02 -0.22 0.00 -1.10 0.00 0.00 59.98 58.84 2cnp h ARG 62 Cb 0.03 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 2cnp h ARG 62 CO -0.10 0.18 -1.02 -0.91 2.80 0.00 0.00 179.97 180.92 2cnp h ASN 63 N 0.28 0.26 -2.82 -3.80 2.35 -0.57 -3.48 115.58 107.80 2cnp h ASN 63 Ca 0.38 -0.25 -0.38 0.00 -0.55 0.00 0.00 56.30 55.51 2cnp h ASN 63 Cb 0.63 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 2cnp h ASN 63 CO -0.47 1.12 -0.46 0.29 -1.65 0.00 0.00 177.43 176.26 2cnp n LYS 64 N -3.56 -1.75 -3.04 0.81 4.76 0.05 -0.47 118.16 114.97 2cnp n LYS 64 Ca -0.04 0.94 -0.20 0.00 -2.87 0.00 0.00 58.31 56.14 2cnp n LYS 64 Cb 0.90 -5.54 0.00 0.00 -1.84 0.00 0.00 35.03 28.56 2cnp n LYS 64 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2cnp n ASP 65 N -1.80 -4.36 -4.44 4.39 8.00 -1.24 -5.00 116.55 112.09 2cnp n ASP 65 Ca -0.22 -0.21 -0.25 0.00 0.71 0.00 0.00 54.79 54.82 2cnp n ASP 65 Cb 0.66 -3.60 -0.11 0.00 -0.02 0.00 0.00 41.12 38.05 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 -5.68 1.59 0.70 -1.24 -0.21 0.38 -5.13 119.66 110.08 2cnp s GLN 66 Ca 0.27 -1.66 -0.16 0.00 0.02 0.00 0.00 55.36 53.83 2cnp s GLN 66 Cb -0.14 -1.75 0.02 0.00 1.00 0.00 0.00 33.01 32.14 2cnp s GLN 66 CO 0.33 0.35 1.23 -1.21 -2.12 0.00 0.00 175.29 173.87 2cnp s GLU 67 N -3.20 2.29 0.03 2.91 2.02 -1.26 -4.70 118.70 116.79 2cnp s GLU 67 Ca 0.26 1.84 0.08 0.00 0.02 0.00 0.00 54.97 57.17 2cnp s GLU 67 Cb -0.06 -1.84 -0.03 0.00 0.10 0.00 0.00 34.13 32.30 2cnp s GLU 67 CO 0.13 -1.74 -0.23 0.14 0.02 0.00 0.00 175.26 173.57 2cnp s VAL 68 N -1.82 1.88 0.56 2.63 -7.23 0.14 -4.98 120.40 111.59 2cnp s VAL 68 Ca 0.77 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 2cnp s VAL 68 Cb -0.31 -1.61 0.11 0.00 0.56 0.00 0.00 36.38 35.13 2cnp s VAL 68 CO 0.43 0.33 0.77 -0.46 -0.31 0.00 0.00 175.10 175.87 2cnp n ASN 69 N 1.95 1.08 -0.06 4.85 0.23 -1.26 -0.78 115.26 121.27 2cnp n ASN 69 Ca -0.17 -1.90 -0.14 0.00 -0.53 0.00 0.00 54.58 51.84 2cnp n ASN 69 Cb 0.52 -0.50 -0.09 0.00 -2.08 0.00 0.00 39.78 37.63 2cnp n ASN 69 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2cnp h PHE 70 N -0.53 -1.56 -0.37 -2.53 3.57 -1.86 0.32 116.94 113.98 2cnp h PHE 70 Ca -0.26 0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.27 2cnp h PHE 70 Cb 0.96 0.71 -0.02 0.00 2.79 0.00 0.00 35.95 40.39 2cnp h PHE 70 CO 0.00 -0.49 0.07 0.37 -2.23 0.00 0.00 178.31 176.02 2cnp h GLN 71 N -0.47 0.56 -0.10 1.11 5.75 -1.96 0.13 115.11 120.13 2cnp h GLN 71 Ca 0.05 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.46 2cnp h GLN 71 Cb 0.61 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 2cnp h GLN 71 CO -0.48 0.53 -0.01 0.93 -2.65 0.00 0.00 178.83 177.16 2cnp h GLU 72 N 0.54 0.02 -0.24 1.69 4.39 -1.80 0.34 114.58 119.52 2cnp h GLU 72 Ca 0.12 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.87 2cnp h GLU 72 Cb 0.25 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 2cnp h GLU 72 CO 0.00 0.01 -0.06 -0.92 -1.16 0.00 0.00 179.01 176.88 2cnp h TYR 73 N 0.02 -0.13 -0.59 4.33 3.20 0.10 0.48 116.97 124.38 2cnp h TYR 73 Ca 0.05 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.01 2cnp h TYR 73 Cb 0.06 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 2cnp h TYR 73 CO -0.14 -0.11 0.39 0.82 -1.64 0.00 0.00 178.16 177.49 2cnp h ILE 74 N -0.00 0.96 -0.28 1.81 1.08 -0.40 -0.24 117.51 120.45 2cnp h ILE 74 Ca 0.12 -0.17 -0.18 0.00 -0.39 0.00 0.00 64.86 64.23 2cnp h ILE 74 Cb 0.18 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.33 2cnp h ILE 74 CO -0.25 0.09 -0.53 0.74 -0.69 0.00 0.00 178.15 177.51 2cnp h THR 75 N 0.51 1.28 0.19 -0.27 2.02 0.76 0.37 112.91 117.77 2cnp h THR 75 Ca 0.26 -1.73 0.01 0.00 0.77 0.00 0.00 66.41 65.72 2cnp h THR 75 Cb 0.37 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 2cnp h THR 75 CO -0.08 0.56 -0.21 0.15 0.37 0.00 0.00 175.52 176.31 2cnp h PHE 76 N 0.64 -0.56 -0.79 3.16 3.57 0.40 0.22 116.94 123.59 2cnp h PHE 76 Ca 0.02 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.56 2cnp h PHE 76 Cb 1.13 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 40.04 2cnp h PHE 76 CO 0.07 -0.31 0.50 -0.07 -2.23 0.00 0.00 178.31 176.27 2cnp h LEU 77 N -0.44 0.83 -0.51 0.59 3.38 -1.08 -1.43 115.31 116.65 2cnp h LEU 77 Ca 0.01 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2cnp h LEU 77 Cb 0.42 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2cnp h LEU 77 CO -0.07 0.57 0.23 1.23 0.09 0.00 0.00 178.44 180.49 2cnp h GLY 78 N 0.97 0.70 0.85 0.83 0.00 0.26 0.91 103.07 107.60 2cnp h GLY 78 Ca 0.32 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 2cnp h GLY 78 CO -0.12 0.07 0.02 0.00 0.00 0.00 0.00 176.54 176.52 2cnp h ALA 79 N 1.30 0.08 -0.06 3.60 0.00 -0.21 0.12 119.26 124.09 2cnp h ALA 79 Ca 0.23 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2cnp h ALA 79 Cb 0.19 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2cnp h ALA 79 CO -0.19 -0.34 -0.53 1.25 0.00 0.00 0.00 179.25 179.44 2cnp h LEU 80 N -0.07 -1.65 -0.10 0.00 7.12 -0.80 0.18 115.31 119.99 2cnp h LEU 80 Ca 0.02 0.19 0.03 0.00 0.13 0.00 0.00 57.88 58.25 2cnp h LEU 80 Cb 0.17 0.63 -0.06 0.00 -0.53 0.00 0.00 40.66 40.87 2cnp h LEU 80 CO -0.00 -0.50 -0.53 0.00 -0.13 0.00 0.00 178.44 177.27 2cnp h ALA 81 N -0.32 -0.89 -0.74 1.25 0.00 -0.78 -1.95 119.26 115.84 2cnp h ALA 81 Ca 0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2cnp h ALA 81 Cb 0.70 0.98 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 2cnp h ALA 81 CO -0.39 -1.09 0.25 1.98 0.00 0.00 0.00 179.25 180.00 2cnp h MET 82 N -0.60 1.15 -0.09 0.00 1.85 -0.47 0.24 114.93 117.01 2cnp h MET 82 Ca 0.03 -0.24 -0.00 0.00 -0.61 0.00 0.00 59.70 58.88 2cnp h MET 82 Cb 0.69 -0.17 -0.00 0.00 0.43 0.00 0.00 31.60 32.55 2cnp h MET 82 CO -0.42 0.97 0.04 0.82 -0.40 0.00 0.00 176.91 177.92 2cnp h ILE 83 N 1.10 1.13 0.07 1.77 2.04 -0.40 -3.21 117.51 120.01 2cnp h ILE 83 Ca 0.24 -0.39 -0.24 0.00 1.00 0.00 0.00 64.86 65.47 2cnp h ILE 83 Cb 0.29 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2cnp h ILE 83 CO -0.01 0.12 -1.10 0.10 0.00 0.00 0.00 178.15 177.25 2cnp h TYR 84 N -0.00 0.36 -1.08 1.37 -0.00 -1.21 -3.40 116.97 113.00 2cnp h TYR 84 Ca 0.03 -0.24 -0.61 0.00 0.00 0.00 0.00 58.73 57.91 2cnp h TYR 84 Cb 0.15 -0.02 -0.10 0.00 0.00 0.00 0.00 36.73 36.76 2cnp h TYR 84 CO -0.02 1.16 1.57 -0.80 -0.00 0.00 0.00 178.16 180.06 2cnp s ASN 85 N -7.01 6.53 0.34 0.10 0.01 0.84 -4.82 114.94 110.92 2cnp s ASN 85 Ca -0.03 -1.55 0.12 0.00 -0.71 0.00 0.00 52.86 50.69 2cnp s ASN 85 Cb 0.08 -2.57 1.04 0.00 0.41 0.00 0.00 41.25 40.22 2cnp s ASN 85 CO 0.86 -1.48 1.61 -0.33 -1.51 0.00 0.00 177.10 176.25 2cnp h GLU 86 N 9.58 0.10 -0.24 -0.60 5.08 -1.78 0.77 114.58 127.49 2cnp h GLU 86 Ca 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2cnp h GLU 86 Cb 1.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2cnp h GLU 86 CO 1.43 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 179.51 2cnp n ALA 87 N -2.55 1.65 -0.51 3.43 0.00 -1.26 -1.29 120.51 119.98 2cnp n ALA 87 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2cnp n ALA 87 Cb 1.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2cnp n ALA 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2cnp n LEU 88 N 0.05 0.63 -4.57 0.00 4.77 0.26 -5.03 117.00 113.11 2cnp n LEU 88 Ca 0.00 -0.63 -0.23 0.00 -0.03 0.00 0.00 56.01 55.12 2cnp n LEU 88 Cb 0.06 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 2cnp n LEU 88 CO 0.00 0.16 1.33 -0.54 -1.33 0.00 0.00 177.39 177.01 2cnp s LYS 89 N -0.14 2.14 0.00 3.23 -0.14 -0.41 -4.96 119.74 119.46 2cnp s LYS 89 Ca 0.00 -0.47 0.00 0.00 -1.36 0.00 0.00 55.97 54.14 2cnp s LYS 89 Cb 0.00 -5.06 0.00 0.00 -1.68 0.00 0.00 37.83 31.09 2cnp s LYS 89 CO 0.00 -4.12 0.00 0.41 -0.76 0.00 0.00 175.35 170.88