#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cnp n ALA 2 N 0.00 4.67 -0.80 3.04 0.00 -1.26 -4.93 120.51 121.24 2cnp n ALA 2 Ca 0.00 -3.65 -0.33 0.00 0.00 0.00 0.00 53.44 49.47 2cnp n ALA 2 Cb 0.00 -3.58 0.13 0.00 0.00 0.00 0.00 19.45 16.00 2cnp n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2cnp n SER 3 N 6.62 -1.59 -0.32 0.00 7.64 -1.26 -4.35 113.62 120.36 2cnp n SER 3 Ca 0.51 0.36 0.07 0.00 1.01 0.00 0.00 58.87 60.82 2cnp n SER 3 Cb 0.39 -1.26 0.17 0.00 -1.01 0.00 0.00 64.21 62.50 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 -1.57 0.02 -0.21 1.43 0.11 -1.99 0.38 132.00 130.17 2cnp h PRO 4 Ca -0.43 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.72 2cnp h PRO 4 Cb 1.28 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 2cnp h PRO 4 CO 0.36 0.01 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.97 2cnp h LEU 5 N 0.02 -0.40 -0.78 2.35 3.38 -1.99 0.93 115.31 118.82 2cnp h LEU 5 Ca 0.47 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.49 2cnp h LEU 5 Cb 0.81 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2cnp h LEU 5 CO -0.89 -0.16 0.33 -0.78 0.09 0.00 0.00 178.44 177.03 2cnp h ASP 6 N -0.11 1.06 -0.28 -0.43 3.58 -0.63 0.18 116.42 119.80 2cnp h ASP 6 Ca 0.12 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 2cnp h ASP 6 Cb 0.28 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2cnp h ASP 6 CO -0.28 0.93 0.09 -0.61 -2.88 0.00 0.00 179.24 176.50 2cnp h GLN 7 N 1.13 0.43 -0.32 0.28 5.75 -0.76 0.20 115.11 121.82 2cnp h GLN 7 Ca 0.26 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 2cnp h GLN 7 Cb 0.19 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 2cnp h GLN 7 CO -0.03 0.49 0.12 0.00 -2.65 0.00 0.00 178.83 176.76 2cnp h ALA 8 N 0.92 0.42 -0.15 3.38 0.00 -0.38 0.18 119.26 123.63 2cnp h ALA 8 Ca 0.09 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2cnp h ALA 8 Cb 0.23 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2cnp h ALA 8 CO -0.00 0.02 -0.23 0.82 0.00 0.00 0.00 179.25 179.85 2cnp h ILE 9 N 0.37 0.43 -0.78 0.00 2.04 -0.64 -1.16 117.51 117.78 2cnp h ILE 9 Ca 0.11 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.15 2cnp h ILE 9 Cb 0.19 0.43 -0.13 0.00 -0.74 0.00 0.00 36.82 36.58 2cnp h ILE 9 CO -0.01 0.00 0.08 1.23 0.00 0.00 0.00 178.15 179.46 2cnp h GLY 10 N -0.28 0.98 0.82 5.37 0.00 0.10 0.19 103.07 110.24 2cnp h GLY 10 Ca 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 2cnp h GLY 10 CO -0.31 -0.29 -0.22 1.41 0.00 0.00 0.00 176.54 177.13 2cnp h LEU 11 N 0.15 -0.58 -0.76 3.11 3.38 0.05 0.17 115.31 120.84 2cnp h LEU 11 Ca 0.44 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.50 2cnp h LEU 11 Cb 0.80 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 2cnp h LEU 11 CO -0.63 -0.34 0.47 -0.07 0.09 0.00 0.00 178.44 177.95 2cnp h LEU 12 N -0.52 0.75 0.33 1.67 4.07 0.04 0.46 115.31 122.11 2cnp h LEU 12 Ca -0.02 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 2cnp h LEU 12 Cb 0.45 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 2cnp h LEU 12 CO -0.01 0.50 -0.33 0.40 -1.08 0.00 0.00 178.44 177.92 2cnp h ILE 13 N 0.89 0.32 -0.38 1.22 2.04 -0.56 -0.14 117.51 120.89 2cnp h ILE 13 Ca 0.32 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.24 2cnp h ILE 13 Cb 0.09 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.43 2cnp h ILE 13 CO -0.14 0.00 0.01 1.23 0.00 0.00 0.00 178.15 179.25 2cnp h GLY 14 N -0.69 0.38 0.65 5.37 0.00 -0.02 0.23 103.07 109.00 2cnp h GLY 14 Ca -0.02 0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.39 2cnp h GLY 14 CO -0.06 -0.08 0.15 -2.22 0.00 0.00 0.00 176.54 174.33 2cnp h ILE 15 N 0.12 0.88 0.56 2.60 1.08 -0.86 0.07 117.51 121.97 2cnp h ILE 15 Ca 0.18 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.53 2cnp h ILE 15 Cb 0.25 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 2cnp h ILE 15 CO -0.30 0.06 -0.47 0.15 -0.69 0.00 0.00 178.15 176.90 2cnp h PHE 16 N 0.31 -1.28 -0.83 1.37 3.57 0.31 -3.11 116.94 117.27 2cnp h PHE 16 Ca 0.19 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.86 2cnp h PHE 16 Cb 0.17 0.49 -0.16 0.00 2.79 0.00 0.00 35.95 39.24 2cnp h PHE 16 CO -0.15 -0.65 -0.21 1.25 -2.23 0.00 0.00 178.31 176.32 2cnp h HIS 17 N -1.01 -0.46 -1.05 0.41 2.76 -0.31 0.21 115.15 115.70 2cnp h HIS 17 Ca -0.07 0.08 0.28 0.00 -2.20 0.00 0.00 60.37 58.45 2cnp h HIS 17 Cb 0.85 0.33 -0.10 0.00 1.55 0.00 0.00 27.41 30.04 2cnp h HIS 17 CO -0.19 -0.36 0.67 -0.22 -1.30 0.00 0.00 177.93 176.53 2cnp h LYS 18 N -0.00 0.38 -0.47 5.26 3.64 -0.91 0.56 116.57 125.02 2cnp h LYS 18 Ca 0.40 -0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 59.41 2cnp h LYS 18 Cb 0.61 -0.09 -0.26 0.00 -0.41 0.00 0.00 32.23 32.08 2cnp h LYS 18 CO -0.86 0.25 -0.66 0.66 -2.27 0.00 0.00 179.45 176.58 2cnp n TYR 19 N -4.67 1.72 0.14 1.91 4.02 0.67 -4.84 117.16 116.11 2cnp n TYR 19 Ca 0.26 -1.96 0.00 0.00 -0.01 0.00 0.00 57.90 56.20 2cnp n TYR 19 Cb 0.90 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 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 -0.87 -2.46 -3.73 7.72 3.41 -0.54 -4.78 113.62 112.37 2cnp n SER 20 Ca 0.35 0.53 -0.39 0.00 -0.26 0.00 0.00 58.87 59.10 2cnp n SER 20 Cb 0.87 2.50 -0.11 0.00 -0.26 0.00 0.00 64.21 67.20 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 -1.47 0.55 0.00 5.00 0.00 0.08 -4.20 105.19 105.14 2cnp n GLY 21 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2cnp n GLY 21 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2cnp n LYS 22 N 7.94 0.00 -1.16 1.61 2.85 -1.26 -4.67 118.16 123.47 2cnp n LYS 22 Ca 0.46 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 57.38 2cnp n LYS 22 Cb 0.43 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.78 2cnp n LYS 22 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2cnp n GLU 23 N 0.00 2.80 -3.11 -1.58 1.02 -1.26 -4.79 120.64 113.72 2cnp n GLU 23 Ca 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 2cnp n GLU 23 Cb 0.00 -2.77 0.00 0.00 -0.02 0.00 0.00 31.44 28.65 2cnp n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cnp n GLY 24 N 3.82 -1.28 3.58 0.62 0.00 -1.26 -5.05 105.19 105.61 2cnp n GLY 24 Ca 0.60 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 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 0.34 4.56 -0.34 1.61 9.92 -1.26 -4.85 116.55 126.53 2cnp n ASP 25 Ca 0.00 -2.87 0.26 0.00 -0.53 0.00 0.00 54.79 51.64 2cnp n ASP 25 Cb 0.00 -1.75 0.40 0.00 -0.64 0.00 0.00 41.12 39.13 2cnp n ASP 25 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2cnp n LYS 26 N 8.36 -0.00 0.08 -1.24 5.02 -1.26 -0.09 118.16 129.03 2cnp n LYS 26 Ca 0.48 0.54 0.12 0.00 -2.02 0.00 0.00 58.31 57.43 2cnp n LYS 26 Cb 0.46 -1.23 0.46 0.00 -0.02 0.00 0.00 35.03 34.70 2cnp n LYS 26 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2cnp n HIS 27 N -3.01 0.63 -4.38 2.13 -0.00 -1.26 -3.89 115.22 105.44 2cnp n HIS 27 Ca 0.22 0.21 -0.19 0.00 0.46 0.00 0.00 57.72 58.41 2cnp n HIS 27 Cb 0.98 -0.83 -0.10 0.00 -0.12 0.00 0.00 29.99 29.91 2cnp n HIS 27 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 2cnp s THR 28 N -3.13 1.36 0.37 3.57 -4.23 0.87 -0.91 115.64 113.54 2cnp s THR 28 Ca 0.09 -2.08 -0.12 0.00 -1.18 0.00 0.00 61.69 58.40 2cnp s THR 28 Cb 0.12 -2.37 0.04 0.00 1.34 0.00 0.00 72.50 71.63 2cnp s THR 28 CO 0.49 -0.34 0.69 -1.48 -0.54 0.00 0.00 174.62 173.45 2cnp s LEU 29 N -3.37 0.28 0.46 4.79 0.05 -0.36 -4.69 118.68 115.85 2cnp s LEU 29 Ca 0.28 -1.22 0.03 0.00 0.05 0.00 0.00 54.13 53.27 2cnp s LEU 29 Cb 0.04 2.44 -0.03 0.00 -2.05 0.00 0.00 46.19 46.60 2cnp s LEU 29 CO 0.10 -1.56 0.04 -0.94 -0.55 0.00 0.00 176.35 173.44 2cnp s SER 30 N -3.11 3.61 0.31 1.48 1.04 -1.26 -0.46 113.70 115.30 2cnp s SER 30 Ca 0.20 -1.62 0.01 0.00 0.48 0.00 0.00 55.95 55.01 2cnp s SER 30 Cb -0.04 0.40 0.73 0.00 0.10 0.00 0.00 66.02 67.21 2cnp s SER 30 CO 0.14 -0.83 1.57 0.07 0.98 0.00 0.00 173.24 175.17 2cnp h LYS 31 N 1.56 0.01 -0.62 4.02 2.10 -1.89 1.00 116.57 122.74 2cnp h LYS 31 Ca -0.41 -0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.21 2cnp h LYS 31 Cb 1.29 -0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.59 2cnp h LYS 31 CO 0.69 0.00 0.29 -0.22 -2.00 0.00 0.00 179.45 178.21 2cnp h LYS 32 N 0.01 0.90 -0.45 0.07 3.11 -1.96 0.66 116.57 118.91 2cnp h LYS 32 Ca 0.59 -0.14 -0.11 0.00 -2.81 0.00 0.00 60.65 58.18 2cnp h LYS 32 Cb 1.19 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.24 2cnp h LYS 32 CO -0.94 0.74 -0.13 0.93 -2.81 0.00 0.00 179.45 177.24 2cnp h GLU 33 N 0.86 0.89 -0.16 1.90 3.07 -1.23 0.34 114.58 120.24 2cnp h GLU 33 Ca 0.21 -0.35 0.01 0.00 -0.50 0.00 0.00 59.36 58.74 2cnp h GLU 33 Cb 0.14 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 2cnp h GLU 33 CO -0.02 0.99 0.06 -0.07 -1.40 0.00 0.00 179.01 178.57 2cnp h LEU 34 N 0.72 0.08 -0.09 1.33 3.38 -0.68 0.21 115.31 120.26 2cnp h LEU 34 Ca 0.11 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2cnp h LEU 34 Cb 0.68 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2cnp h LEU 34 CO 0.05 0.07 -0.06 0.11 0.09 0.00 0.00 178.44 178.70 2cnp h LYS 35 N 0.14 -0.06 0.07 1.13 1.57 -0.74 0.11 116.57 118.79 2cnp h LYS 35 Ca 0.07 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2cnp h LYS 35 Cb 0.03 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2cnp h LYS 35 CO -0.06 -0.04 -0.42 0.93 -0.57 0.00 0.00 179.45 179.30 2cnp h GLU 36 N -0.06 -0.55 -0.35 3.15 5.08 -0.76 -0.97 114.58 120.12 2cnp h GLU 36 Ca 0.06 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2cnp h GLU 36 Cb 0.15 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2cnp h GLU 36 CO -0.13 -0.37 -0.30 -0.07 -1.00 0.00 0.00 179.01 177.14 2cnp h LEU 37 N -0.57 -1.04 -0.21 1.33 3.38 -0.30 0.23 115.31 118.13 2cnp h LEU 37 Ca -0.00 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2cnp h LEU 37 Cb 0.59 0.44 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2cnp h LEU 37 CO -0.24 -0.17 0.11 -0.29 0.09 0.00 0.00 178.44 177.95 2cnp h ILE 38 N -0.11 1.11 -0.03 1.22 2.10 -0.92 0.82 117.51 121.70 2cnp h ILE 38 Ca 0.06 -0.30 -0.01 0.00 1.08 0.00 0.00 64.86 65.69 2cnp h ILE 38 Cb 0.26 0.94 -0.00 0.00 -1.09 0.00 0.00 36.82 36.93 2cnp h ILE 38 CO -0.39 0.11 -0.01 -0.61 -1.08 0.00 0.00 178.15 176.17 2cnp h GLN 39 N 0.22 0.06 0.38 2.19 4.15 -0.91 0.12 115.11 121.33 2cnp h GLN 39 Ca 0.07 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 2cnp h GLN 39 Cb 0.07 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.76 2cnp h GLN 39 CO -0.01 0.41 -0.18 0.87 -1.93 0.00 0.00 178.83 177.99 2cnp h LYS 40 N -0.29 -0.49 0.04 1.69 6.56 -0.53 -3.23 116.57 120.33 2cnp h LYS 40 Ca 0.01 0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.63 2cnp h LYS 40 Cb 0.39 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 2cnp h LYS 40 CO 0.00 -0.19 -0.02 0.93 -2.06 0.00 0.00 179.45 178.12 2cnp h GLU 41 N -0.82 -0.06 -2.46 3.15 4.39 -0.90 -3.36 114.58 114.53 2cnp h GLU 41 Ca -0.05 0.00 -0.78 0.00 0.34 0.00 0.00 59.36 58.87 2cnp h GLU 41 Cb 0.53 0.01 -0.29 0.00 -0.10 0.00 0.00 28.75 28.90 2cnp h GLU 41 CO 0.09 0.54 0.76 1.28 -1.16 0.00 0.00 179.01 180.51 2cnp n LEU 42 N -4.82 6.71 -0.33 1.33 4.77 0.43 -4.60 117.00 120.50 2cnp n LEU 42 Ca -0.09 -5.36 -0.03 0.00 -0.03 0.00 0.00 56.01 50.50 2cnp n LEU 42 Cb 0.31 -1.13 0.12 0.00 -2.33 0.00 0.00 43.42 40.38 2cnp n LEU 42 CO 0.31 1.97 1.22 0.71 -1.33 0.00 0.00 177.39 180.27 2cnp h THR 43 N 2.69 1.25 -6.24 -5.08 1.35 -1.69 -3.43 112.91 101.75 2cnp h THR 43 Ca 0.39 -0.56 -0.45 0.00 -0.55 0.00 0.00 66.41 65.24 2cnp h THR 43 Cb 0.44 -0.02 0.03 0.00 -1.73 0.00 0.00 68.15 66.86 2cnp h THR 43 CO 1.19 0.27 -0.88 0.00 -0.25 0.00 0.00 175.52 175.85 2cnp n ILE 44 N -4.35 -4.44 0.00 6.82 3.06 -1.26 -2.14 119.36 117.05 2cnp n ILE 44 Ca 0.10 -0.63 0.00 0.00 -2.50 0.00 0.00 62.75 59.72 2cnp n ILE 44 Cb 0.07 -3.60 0.00 0.00 0.54 0.00 0.00 39.64 36.65 2cnp n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2cnp n GLY 45 N -1.73 1.38 2.72 4.50 0.00 -1.26 -3.53 105.19 107.26 2cnp n GLY 45 Ca -0.25 0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 2.93 -2.45 -3.46 1.61 7.64 -1.06 -5.06 113.62 113.78 2cnp n SER 46 Ca 0.00 -2.49 -0.17 0.00 1.01 0.00 0.00 58.87 57.22 2cnp n SER 46 Cb 0.00 1.39 0.02 0.00 -1.01 0.00 0.00 64.21 64.60 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 2.09 -1.41 -1.83 1.43 5.02 -0.91 -4.79 118.16 117.77 2cnp n LYS 47 Ca 0.10 0.95 -0.32 0.00 -2.02 0.00 0.00 58.31 57.02 2cnp n LYS 47 Cb 0.63 -4.34 -0.04 0.00 -0.02 0.00 0.00 35.03 31.27 2cnp n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2cnp s LEU 48 N -5.08 3.23 0.01 -0.35 1.43 -1.26 -4.71 118.68 111.96 2cnp s LEU 48 Ca 0.17 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 2cnp s LEU 48 Cb -0.05 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.64 2cnp s LEU 48 CO 0.82 -2.82 0.00 1.67 0.23 0.00 0.00 176.35 176.25 2cnp n GLN 49 N 9.02 -0.08 -0.38 1.70 0.00 -1.26 -4.68 117.38 121.69 2cnp n GLN 49 Ca 0.33 0.06 0.35 0.00 -0.00 0.00 0.00 57.00 57.75 2cnp n GLN 49 Cb 0.51 -0.08 0.62 0.00 0.00 0.00 0.00 30.24 31.29 2cnp n GLN 49 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2cnp n ASP 50 N -1.67 0.29 -0.19 1.69 5.75 -1.26 -3.21 116.55 117.95 2cnp n ASP 50 Ca -0.00 1.54 -0.05 0.00 -0.01 0.00 0.00 54.79 56.27 2cnp n ASP 50 Cb 0.01 -0.75 -0.05 0.00 -1.03 0.00 0.00 41.12 39.30 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 -2.37 -0.29 -0.17 2.12 0.00 -1.26 -0.48 120.51 118.05 2cnp n ALA 51 Ca 0.39 0.39 -0.07 0.00 0.00 0.00 0.00 53.44 54.15 2cnp n ALA 51 Cb 1.40 -0.05 0.09 0.00 0.00 0.00 0.00 19.45 20.89 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 0.97 0.19 0.00 4.81 -1.84 0.12 114.58 118.83 2cnp h GLU 52 Ca 0.07 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 2cnp h GLU 52 Cb 0.19 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2cnp h GLU 52 CO -0.43 0.94 -0.09 0.82 -0.73 0.00 0.00 179.01 179.52 2cnp h ILE 53 N 0.89 0.92 -0.59 2.32 5.03 -1.06 0.14 117.51 125.16 2cnp h ILE 53 Ca 0.17 -0.75 0.12 0.00 -0.12 0.00 0.00 64.86 64.28 2cnp h ILE 53 Cb 0.49 1.35 -0.10 0.00 -3.03 0.00 0.00 36.82 35.53 2cnp h ILE 53 CO 0.02 0.16 -0.06 0.58 -0.68 0.00 0.00 178.15 178.18 2cnp h VAL 54 N -0.63 0.47 -0.11 1.67 2.07 -0.67 -0.56 116.25 118.48 2cnp h VAL 54 Ca -0.03 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2cnp h VAL 54 Cb 0.46 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2cnp h VAL 54 CO 0.04 0.01 -0.03 0.11 0.02 0.00 0.00 177.57 177.72 2cnp h LYS 55 N 0.07 -0.00 -0.84 1.57 6.56 -0.48 0.21 116.57 123.65 2cnp h LYS 55 Ca 0.30 0.00 0.13 0.00 -1.06 0.00 0.00 60.65 60.02 2cnp h LYS 55 Cb 0.48 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.07 2cnp h LYS 55 CO -0.55 -0.00 0.55 -0.07 -2.06 0.00 0.00 179.45 177.32 2cnp h LEU 56 N -0.00 0.62 0.48 2.94 3.38 0.13 0.15 115.31 123.01 2cnp h LEU 56 Ca 0.06 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2cnp h LEU 56 Cb 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2cnp h LEU 56 CO -0.12 0.33 -0.23 0.24 0.09 0.00 0.00 178.44 178.75 2cnp h MET 57 N 0.67 -0.62 -1.12 1.13 2.86 -0.29 -3.31 114.93 114.25 2cnp h MET 57 Ca 0.41 0.04 0.34 0.00 -2.06 0.00 0.00 59.70 58.43 2cnp h MET 57 Cb 0.65 0.14 -0.12 0.00 0.06 0.00 0.00 31.60 32.33 2cnp h MET 57 CO -0.17 -0.39 0.70 -0.44 1.06 0.00 0.00 176.91 177.66 2cnp h ASP 58 N -1.15 0.41 -0.90 1.22 3.32 -0.14 -1.10 116.42 118.08 2cnp h ASP 58 Ca -0.07 0.13 0.16 0.00 0.02 0.00 0.00 57.03 57.28 2cnp h ASP 58 Cb 0.52 0.08 -0.16 0.00 0.22 0.00 0.00 39.33 39.99 2cnp h ASP 58 CO 0.11 -0.06 -0.28 -0.67 -1.72 0.00 0.00 179.24 176.61 2cnp n ASP 59 N -4.78 -0.45 -0.07 6.45 -0.08 0.50 -0.58 116.55 117.54 2cnp n ASP 59 Ca 0.31 1.57 -0.09 0.00 -1.51 0.00 0.00 54.79 55.06 2cnp n ASP 59 Cb 1.08 -0.42 -0.02 0.00 2.34 0.00 0.00 41.12 44.10 2cnp n ASP 59 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2cnp h LEU 60 N 0.00 0.29 0.34 -2.67 -0.00 -1.38 0.58 115.31 112.47 2cnp h LEU 60 Ca 0.38 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.24 2cnp h LEU 60 Cb 0.60 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2cnp h LEU 60 CO -0.92 0.21 -0.16 -0.78 -0.00 0.00 0.00 178.44 176.79 2cnp h ASP 61 N 0.35 -0.39 -0.87 -0.43 3.58 -0.98 -2.52 116.42 115.17 2cnp h ASP 61 Ca 0.10 -0.08 0.10 0.00 0.42 0.00 0.00 57.03 57.57 2cnp h ASP 61 Cb -0.03 0.10 -0.08 0.00 1.72 0.00 0.00 39.33 41.05 2cnp h ASP 61 CO -0.03 -0.15 0.51 0.03 -2.88 0.00 0.00 179.24 176.71 2cnp h ARG 62 N -0.61 0.81 -1.04 0.28 3.08 -0.71 -0.23 114.38 115.96 2cnp h ARG 62 Ca -0.05 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 59.76 2cnp h ARG 62 Cb 0.44 -0.18 -0.11 0.00 0.08 0.00 0.00 29.97 30.20 2cnp h ARG 62 CO 0.08 0.54 0.25 0.09 -1.07 0.00 0.00 179.97 179.85 2cnp n ASN 63 N -4.72 3.46 -0.33 7.04 3.02 0.18 -4.00 115.26 119.92 2cnp n ASN 63 Ca 0.15 -2.61 0.03 0.00 -0.03 0.00 0.00 54.58 52.12 2cnp n ASN 63 Cb 0.30 -0.65 0.21 0.00 -0.61 0.00 0.00 39.78 39.03 2cnp n ASN 63 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2cnp h LYS 64 N 0.43 1.06 0.00 3.52 1.57 -0.59 0.17 116.57 122.73 2cnp h LYS 64 Ca 0.23 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2cnp h LYS 64 Cb 1.64 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.71 2cnp h LYS 64 CO 0.42 0.70 0.00 -0.25 -0.57 0.00 0.00 179.45 179.75 2cnp n ASP 65 N -4.49 0.00 0.00 0.86 9.92 -1.26 -4.91 116.55 116.68 2cnp n ASP 65 Ca 0.14 -1.14 0.00 0.00 -0.53 0.00 0.00 54.79 53.26 2cnp n ASP 65 Cb 0.18 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.66 2cnp n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cnp n GLN 66 N -0.66 0.00 -3.99 -1.24 1.13 0.58 -4.83 117.38 108.36 2cnp n GLN 66 Ca 0.05 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.86 2cnp n GLN 66 Cb 0.02 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.34 2cnp n GLN 66 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2cnp s GLU 67 N 0.00 3.29 0.14 -1.09 8.01 -1.26 -3.18 118.70 124.61 2cnp s GLU 67 Ca 0.00 -0.72 0.05 0.00 0.01 0.00 0.00 54.97 54.31 2cnp s GLU 67 Cb 0.00 -2.85 -0.04 0.00 -4.31 0.00 0.00 34.13 26.92 2cnp s GLU 67 CO 0.00 0.49 -0.11 0.14 0.01 0.00 0.00 175.26 175.79 2cnp s VAL 68 N -1.82 1.22 0.52 2.63 -7.23 0.39 -4.86 120.40 111.25 2cnp s VAL 68 Ca 0.34 -1.97 0.09 0.00 -1.81 0.00 0.00 61.98 58.62 2cnp s VAL 68 Cb -0.10 -1.76 0.06 0.00 0.56 0.00 0.00 36.38 35.13 2cnp s VAL 68 CO 0.27 -0.66 0.71 0.54 -0.31 0.00 0.00 175.10 175.65 2cnp s ASN 69 N -2.99 5.31 0.10 4.85 4.22 -1.26 -1.22 114.94 123.94 2cnp s ASN 69 Ca 0.15 -0.67 -0.19 0.00 -2.14 0.00 0.00 52.86 50.00 2cnp s ASN 69 Cb 0.00 -0.08 -0.05 0.00 1.28 0.00 0.00 41.25 42.40 2cnp s ASN 69 CO 0.01 -1.13 1.33 0.15 -2.04 0.00 0.00 177.10 175.43 2cnp h PHE 70 N 0.34 -1.15 -0.58 1.54 3.57 -1.39 0.48 116.94 119.75 2cnp h PHE 70 Ca -0.34 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.22 2cnp h PHE 70 Cb 1.29 0.58 -0.03 0.00 2.79 0.00 0.00 35.95 40.57 2cnp h PHE 70 CO 0.41 -0.24 0.29 0.37 -2.23 0.00 0.00 178.31 176.91 2cnp h GLN 71 N -0.04 0.81 -0.59 1.11 5.75 -1.97 0.14 115.11 120.32 2cnp h GLN 71 Ca 0.09 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 2cnp h GLN 71 Cb 0.27 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 2cnp h GLN 71 CO -0.55 0.61 0.26 0.93 -2.65 0.00 0.00 178.83 177.44 2cnp h GLU 72 N 0.81 0.86 -0.08 1.69 4.39 -1.78 0.35 114.58 120.82 2cnp h GLU 72 Ca 0.20 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 59.80 2cnp h GLU 72 Cb 0.06 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 2cnp h GLU 72 CO -0.03 0.71 -0.11 -0.92 -1.16 0.00 0.00 179.01 177.50 2cnp h TYR 73 N 0.80 -0.26 -0.87 4.33 3.20 0.24 -0.59 116.97 123.81 2cnp h TYR 73 Ca 0.20 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.19 2cnp h TYR 73 Cb 0.15 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 2cnp h TYR 73 CO 0.00 -0.16 0.56 0.82 -1.64 0.00 0.00 178.16 177.74 2cnp h ILE 74 N -0.14 0.93 -0.50 1.81 1.08 -0.31 0.76 117.51 121.14 2cnp h ILE 74 Ca 0.07 -0.28 -0.07 0.00 -0.39 0.00 0.00 64.86 64.19 2cnp h ILE 74 Cb 0.24 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.02 2cnp h ILE 74 CO -0.16 0.15 0.04 0.74 -0.69 0.00 0.00 178.15 178.22 2cnp h THR 75 N 0.81 1.24 0.03 -0.27 2.02 0.38 0.25 112.91 117.36 2cnp h THR 75 Ca 0.41 -0.95 0.02 0.00 0.77 0.00 0.00 66.41 66.67 2cnp h THR 75 Cb 0.49 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 2cnp h THR 75 CO -0.18 0.34 -0.19 0.15 0.37 0.00 0.00 175.52 176.01 2cnp h PHE 76 N 0.77 -0.49 -0.46 3.16 3.57 0.68 0.14 116.94 124.31 2cnp h PHE 76 Ca 0.16 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2cnp h PHE 76 Cb 0.40 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 2cnp h PHE 76 CO 0.02 -0.27 0.22 -0.07 -2.23 0.00 0.00 178.31 175.98 2cnp h LEU 77 N -0.32 0.60 -0.20 0.59 3.38 -0.99 0.48 115.31 118.85 2cnp h LEU 77 Ca 0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2cnp h LEU 77 Cb 0.38 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2cnp h LEU 77 CO -0.16 0.55 0.12 1.23 0.09 0.00 0.00 178.44 180.28 2cnp h GLY 78 N 0.60 0.29 1.03 0.83 0.00 -0.27 0.95 103.07 106.50 2cnp h GLY 78 Ca 0.16 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 2cnp h GLY 78 CO -0.02 0.12 0.10 0.00 0.00 0.00 0.00 176.54 176.74 2cnp h ALA 79 N 1.03 0.80 0.19 3.60 0.00 -0.62 0.95 119.26 125.19 2cnp h ALA 79 Ca 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2cnp h ALA 79 Cb 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2cnp h ALA 79 CO -0.01 0.55 -0.38 1.25 0.00 0.00 0.00 179.25 180.66 2cnp h LEU 80 N 0.90 -1.08 -0.53 0.00 5.85 -0.56 0.87 115.31 120.76 2cnp h LEU 80 Ca 0.18 0.11 0.11 0.00 0.84 0.00 0.00 57.88 59.12 2cnp h LEU 80 Cb 0.42 0.40 -0.10 0.00 0.37 0.00 0.00 40.66 41.74 2cnp h LEU 80 CO 0.01 -0.48 -0.18 0.00 -0.34 0.00 0.00 178.44 177.46 2cnp h ALA 81 N -0.14 0.26 -0.17 1.25 0.00 -0.66 -1.39 119.26 118.40 2cnp h ALA 81 Ca 0.01 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2cnp h ALA 81 Cb 0.66 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2cnp h ALA 81 CO -0.18 -0.49 0.04 1.98 0.00 0.00 0.00 179.25 180.60 2cnp h MET 82 N -0.05 0.11 0.08 0.00 1.85 -0.24 0.19 114.93 116.87 2cnp h MET 82 Ca 0.25 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.33 2cnp h MET 82 Cb 0.44 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.45 2cnp h MET 82 CO -0.57 0.07 -0.04 0.82 -0.40 0.00 0.00 176.91 176.79 2cnp h ILE 83 N 0.11 1.07 0.02 1.77 2.04 -0.22 -3.23 117.51 119.08 2cnp h ILE 83 Ca 0.08 -0.58 -0.26 0.00 1.00 0.00 0.00 64.86 65.10 2cnp h ILE 83 Cb 0.07 1.45 0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2cnp h ILE 83 CO -0.10 0.14 -1.06 0.10 0.00 0.00 0.00 178.15 177.24 2cnp h TYR 84 N -0.38 0.91 -0.41 1.37 -0.00 -1.26 -3.24 116.97 113.97 2cnp h TYR 84 Ca -0.01 -0.51 -0.72 0.00 0.00 0.00 0.00 58.73 57.49 2cnp h TYR 84 Cb 0.32 -0.10 -0.07 0.00 0.00 0.00 0.00 36.73 36.89 2cnp h TYR 84 CO 0.01 1.35 2.89 0.09 -0.00 0.00 0.00 178.16 182.50 2cnp n ASN 85 N -3.80 4.87 -0.37 0.10 3.02 0.65 -4.79 115.26 114.94 2cnp n ASN 85 Ca -0.10 -2.90 0.32 0.00 -0.03 0.00 0.00 54.58 51.87 2cnp n ASN 85 Cb 0.89 -1.59 0.59 0.00 -0.61 0.00 0.00 39.78 39.06 2cnp n ASN 85 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2cnp h GLU 86 N 5.77 0.09 -0.77 3.52 5.08 -1.58 0.15 114.58 126.84 2cnp h GLU 86 Ca 0.56 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 59.04 2cnp h GLU 86 Cb 0.59 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.69 2cnp h GLU 86 CO 1.79 0.06 -0.30 0.00 -1.00 0.00 0.00 179.01 179.57 2cnp n ALA 87 N -2.36 -0.08 0.32 3.43 0.00 -1.26 -0.73 120.51 119.83 2cnp n ALA 87 Ca 0.37 0.77 0.04 0.00 0.00 0.00 0.00 53.44 54.62 2cnp n ALA 87 Cb 1.29 -0.35 0.18 0.00 0.00 0.00 0.00 19.45 20.57 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 -5.14 0.00 0.08 0.00 4.77 0.54 -1.23 117.00 116.02 2cnp n LEU 88 Ca 0.08 0.36 -0.01 0.00 -0.03 0.00 0.00 56.01 56.40 2cnp n LEU 88 Cb 0.31 -0.36 0.26 0.00 -2.33 0.00 0.00 43.42 41.31 2cnp n LEU 88 CO -0.10 -0.27 0.73 0.11 -1.33 0.00 0.00 177.39 176.53 2cnp h LYS 89 N 0.00 0.31 0.00 3.23 1.57 -1.11 -3.48 116.57 117.09 2cnp h LYS 89 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2cnp h LYS 89 Cb 0.09 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2cnp h LYS 89 CO 0.00 0.58 0.00 0.41 -0.57 0.00 0.00 179.45 179.87