#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 5.16 -0.63 3.04 0.00 -1.26 -4.93 120.51 121.89 2cnp n ALA 2 Ca 0.00 -3.62 -0.31 0.00 0.00 0.00 0.00 53.44 49.51 2cnp n ALA 2 Cb 0.00 -3.52 0.19 0.00 0.00 0.00 0.00 19.45 16.11 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 6.10 -1.45 -0.29 0.00 7.64 -1.26 -4.23 113.62 120.13 2cnp n SER 3 Ca 0.54 0.09 0.06 0.00 1.01 0.00 0.00 58.87 60.57 2cnp n SER 3 Cb 0.37 -1.23 0.16 0.00 -1.01 0.00 0.00 64.21 62.49 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 -2.13 0.04 0.13 1.43 0.11 -1.98 0.20 132.00 129.80 2cnp h PRO 4 Ca -0.52 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.61 2cnp h PRO 4 Cb 1.31 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.37 2cnp h PRO 4 CO 0.42 0.03 -0.38 -0.07 -0.21 0.00 0.00 178.00 177.78 2cnp h LEU 5 N 0.04 -1.10 -0.83 2.35 3.38 -1.99 0.70 115.31 117.86 2cnp h LEU 5 Ca 0.44 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.54 2cnp h LEU 5 Cb 0.76 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 2cnp h LEU 5 CO -0.79 -0.46 0.55 -0.78 0.09 0.00 0.00 178.44 177.05 2cnp h ASP 6 N -0.62 0.95 0.01 -0.43 3.58 -1.03 0.16 116.42 119.04 2cnp h ASP 6 Ca 0.02 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2cnp h ASP 6 Cb 0.64 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2cnp h ASP 6 CO -0.22 0.68 -0.01 -0.61 -2.88 0.00 0.00 179.24 176.21 2cnp h GLN 7 N 1.12 -0.02 -0.42 0.28 5.75 -0.71 0.17 115.11 121.28 2cnp h GLN 7 Ca 0.31 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.78 2cnp h GLN 7 Cb -0.11 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 2cnp h GLN 7 CO -0.07 0.01 0.16 0.00 -2.65 0.00 0.00 178.83 176.28 2cnp h ALA 8 N 0.95 0.54 -0.19 3.38 0.00 -0.23 0.19 119.26 123.90 2cnp h ALA 8 Ca -0.00 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2cnp h ALA 8 Cb 0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2cnp h ALA 8 CO 0.00 0.15 -0.23 0.82 0.00 0.00 0.00 179.25 180.00 2cnp h ILE 9 N 0.53 0.43 -0.74 0.00 2.04 -0.66 -1.14 117.51 117.98 2cnp h ILE 9 Ca 0.14 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.16 2cnp h ILE 9 Cb 0.20 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 -0.02 1.23 0.00 0.00 0.00 178.15 179.35 2cnp h GLY 10 N -0.26 0.79 0.69 5.37 0.00 0.24 0.10 103.07 110.00 2cnp h GLY 10 Ca 0.12 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 2cnp h GLY 10 CO -0.34 -0.28 -0.32 1.41 0.00 0.00 0.00 176.54 177.02 2cnp h LEU 11 N 0.09 -0.84 -0.79 3.11 3.38 0.11 0.19 115.31 120.56 2cnp h LEU 11 Ca 0.40 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.50 2cnp h LEU 11 Cb 0.69 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 2cnp h LEU 11 CO -0.66 -0.45 0.47 -0.07 0.09 0.00 0.00 178.44 177.81 2cnp h LEU 12 N -0.68 0.72 0.24 1.67 4.07 -0.02 0.11 115.31 121.43 2cnp h LEU 12 Ca -0.02 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2cnp h LEU 12 Cb 0.61 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 2cnp h LEU 12 CO -0.04 0.46 -0.24 0.40 -1.08 0.00 0.00 178.44 177.93 2cnp h ILE 13 N 0.86 0.48 -0.21 1.22 2.04 -0.70 -0.80 117.51 120.39 2cnp h ILE 13 Ca 0.35 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.25 2cnp h ILE 13 Cb 0.19 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 2cnp h ILE 13 CO -0.18 0.00 -0.04 1.23 0.00 0.00 0.00 178.15 179.16 2cnp h GLY 14 N -0.52 0.17 0.25 5.37 0.00 0.24 0.10 103.07 108.68 2cnp h GLY 14 Ca -0.00 0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.46 2cnp h GLY 14 CO -0.06 -0.07 -0.10 -2.22 0.00 0.00 0.00 176.54 174.09 2cnp h ILE 15 N 0.01 0.62 0.30 2.60 1.08 -0.78 0.13 117.51 121.47 2cnp h ILE 15 Ca 0.10 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.57 2cnp h ILE 15 Cb 0.15 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 2cnp h ILE 15 CO -0.21 0.00 -0.40 0.15 -0.69 0.00 0.00 178.15 177.00 2cnp h PHE 16 N -0.01 -1.13 -0.74 1.37 3.57 -0.23 -3.03 116.94 116.74 2cnp h PHE 16 Ca 0.18 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.81 2cnp h PHE 16 Cb 0.28 0.45 -0.05 0.00 2.79 0.00 0.00 35.95 39.42 2cnp h PHE 16 CO -0.34 -0.51 0.49 1.25 -2.23 0.00 0.00 178.31 176.97 2cnp h HIS 17 N -0.73 0.60 -1.05 0.41 2.76 -0.39 0.21 115.15 116.96 2cnp h HIS 17 Ca -0.04 0.02 0.27 0.00 -2.20 0.00 0.00 60.37 58.42 2cnp h HIS 17 Cb 0.66 -0.19 -0.09 0.00 1.55 0.00 0.00 27.41 29.33 2cnp h HIS 17 CO -0.28 0.26 0.68 -0.22 -1.30 0.00 0.00 177.93 177.07 2cnp h LYS 18 N 0.54 0.36 0.00 5.26 3.64 -0.61 0.17 116.57 125.93 2cnp h LYS 18 Ca 0.35 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.57 2cnp h LYS 18 Cb 0.63 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2cnp h LYS 18 CO -0.12 0.24 -1.34 0.66 -2.27 0.00 0.00 179.45 176.62 2cnp n TYR 19 N -4.63 0.00 -0.31 1.91 4.02 -0.14 -4.64 117.16 113.38 2cnp n TYR 19 Ca 0.26 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.33 2cnp n TYR 19 Cb 0.90 -0.56 0.45 0.00 -0.02 0.00 0.00 39.34 40.11 2cnp n TYR 19 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2cnp h SER 20 N -0.82 0.55 -0.99 7.72 0.02 -0.68 -0.07 113.55 119.28 2cnp h SER 20 Ca -0.21 0.08 0.34 0.00 -0.84 0.00 0.00 61.79 61.16 2cnp h SER 20 Cb 1.07 -0.02 -0.18 0.00 0.14 0.00 0.00 62.40 63.41 2cnp h SER 20 CO -0.13 0.17 0.29 1.23 -1.14 0.00 0.00 176.83 177.25 2cnp h GLY 21 N 0.52 1.75 2.00 -3.77 0.00 -0.85 0.13 103.07 102.85 2cnp h GLY 21 Ca 0.56 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.86 2cnp h GLY 21 CO -0.30 -0.64 -0.12 0.50 0.00 0.00 0.00 176.54 175.98 2cnp h LYS 22 N 0.02 0.00 -0.01 4.80 1.57 -1.22 -3.25 116.57 118.48 2cnp h LYS 22 Ca 0.72 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 2cnp h LYS 22 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.02 2cnp h LYS 22 CO -0.84 0.12 0.00 0.39 -0.57 0.00 0.00 179.45 178.55 2cnp n GLU 23 N -3.22 1.04 0.00 3.15 -0.58 0.46 -4.93 120.64 116.57 2cnp n GLU 23 Ca 0.01 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 2cnp n GLU 23 Cb 0.41 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 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 0.91 1.55 2.58 0.62 0.00 -1.23 -4.49 105.19 105.13 2cnp n GLY 24 Ca 0.19 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2cnp n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2cnp n ASP 25 N 3.16 5.87 0.00 1.61 2.03 -1.26 -4.75 116.55 123.20 2cnp n ASP 25 Ca 0.00 -2.68 0.03 0.00 0.52 0.00 0.00 54.79 52.66 2cnp n ASP 25 Cb 0.00 -1.53 0.15 0.00 -0.72 0.00 0.00 41.12 39.02 2cnp n ASP 25 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2cnp n LYS 26 N 4.98 0.32 0.11 -0.67 2.85 -1.26 -0.57 118.16 123.92 2cnp n LYS 26 Ca 0.62 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 58.01 2cnp n LYS 26 Cb 0.30 -1.25 0.40 0.00 -0.65 0.00 0.00 35.03 33.84 2cnp n LYS 26 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2cnp n HIS 27 N -0.75 0.97 -4.44 5.58 8.25 -1.26 -4.51 115.22 119.06 2cnp n HIS 27 Ca 0.04 0.29 -0.21 0.00 -0.26 0.00 0.00 57.72 57.57 2cnp n HIS 27 Cb 0.02 -0.97 -0.11 0.00 1.12 0.00 0.00 29.99 30.05 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 -3.12 1.21 0.07 1.59 -4.23 0.26 -1.80 115.64 109.61 2cnp s THR 28 Ca 0.10 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.57 2cnp s THR 28 Cb 0.12 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 71.22 2cnp s THR 28 CO 0.59 -0.04 0.14 0.00 -0.54 0.00 0.00 174.62 174.77 2cnp n LEU 29 N -0.66 0.00 -4.14 4.79 -0.00 -0.29 -4.70 117.00 112.00 2cnp n LEU 29 Ca -0.03 -0.43 -0.15 0.00 -0.00 0.00 0.00 56.01 55.40 2cnp n LEU 29 Cb 0.66 0.65 -0.06 0.00 -0.00 0.00 0.00 43.42 44.68 2cnp n LEU 29 CO 0.42 -0.14 0.04 -0.94 -0.00 0.00 0.00 177.39 176.76 2cnp s SER 30 N -1.37 0.93 0.00 1.45 1.04 -1.26 -0.33 113.70 114.16 2cnp s SER 30 Ca 0.03 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 54.96 2cnp s SER 30 Cb -0.01 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2cnp s SER 30 CO 0.02 -1.18 0.00 1.17 0.98 0.00 0.00 173.24 174.23 2cnp n LYS 31 N -0.53 0.00 0.09 4.02 4.81 -1.26 -0.35 118.16 124.94 2cnp n LYS 31 Ca 0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.35 2cnp n LYS 31 Cb 0.62 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.62 2cnp n LYS 31 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2cnp h LYS 32 N 0.00 -0.34 -0.72 1.64 1.63 -1.98 0.38 116.57 117.18 2cnp h LYS 32 Ca 0.00 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 2cnp h LYS 32 Cb 0.00 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 2cnp h LYS 32 CO 0.00 -0.23 0.36 0.93 -3.45 0.00 0.00 179.45 177.06 2cnp h GLU 33 N -0.36 1.02 -0.09 1.90 3.07 -1.10 -0.10 114.58 118.92 2cnp h GLU 33 Ca 0.04 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 2cnp h GLU 33 Cb 0.39 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2cnp h GLU 33 CO -0.14 0.77 0.02 -0.07 -1.40 0.00 0.00 179.01 178.19 2cnp h LEU 34 N 1.01 0.13 -0.30 1.33 3.38 -0.41 0.24 115.31 120.70 2cnp h LEU 34 Ca 0.25 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2cnp h LEU 34 Cb 0.08 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2cnp h LEU 34 CO -0.04 0.34 0.11 0.11 0.09 0.00 0.00 178.44 179.06 2cnp h LYS 35 N -0.08 0.25 0.17 1.13 1.57 -0.73 -0.67 116.57 118.21 2cnp h LYS 35 Ca 0.03 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2cnp h LYS 35 Cb 0.26 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 2cnp h LYS 35 CO 0.00 0.16 -0.49 0.93 -0.57 0.00 0.00 179.45 179.48 2cnp h GLU 36 N 0.25 -0.73 -0.42 3.15 5.08 -0.90 -0.97 114.58 120.04 2cnp h GLU 36 Ca 0.13 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.59 2cnp h GLU 36 Cb 0.09 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 2cnp h GLU 36 CO -0.13 -0.49 -0.48 -0.07 -1.00 0.00 0.00 179.01 176.85 2cnp h LEU 37 N -0.76 -1.62 0.14 1.33 3.38 -0.12 0.22 115.31 117.88 2cnp h LEU 37 Ca -0.00 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2cnp h LEU 37 Cb 0.75 0.67 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2cnp h LEU 37 CO -0.25 -0.32 -0.07 -0.29 0.09 0.00 0.00 178.44 177.60 2cnp h ILE 38 N -0.29 0.91 -0.46 1.22 2.10 -1.08 0.58 117.51 120.49 2cnp h ILE 38 Ca 0.07 -0.22 -0.01 0.00 1.08 0.00 0.00 64.86 65.78 2cnp h ILE 38 Cb 0.48 1.06 -0.02 0.00 -1.09 0.00 0.00 36.82 37.25 2cnp h ILE 38 CO -0.55 0.05 0.24 -0.61 -1.08 0.00 0.00 178.15 176.21 2cnp h GLN 39 N -0.29 0.65 0.21 2.19 4.15 -0.78 -0.47 115.11 120.76 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 0.23 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.80 2cnp h GLN 39 CO 0.03 0.53 -0.10 0.87 -1.93 0.00 0.00 178.83 178.23 2cnp h LYS 40 N 0.61 -0.27 0.00 1.69 6.56 -0.56 -3.38 116.57 121.22 2cnp h LYS 40 Ca 0.16 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.77 2cnp h LYS 40 Cb 0.08 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 2cnp h LYS 40 CO -0.02 -0.05 0.00 0.93 -2.06 0.00 0.00 179.45 178.25 2cnp h GLU 41 N -1.03 0.00 -3.87 3.15 3.07 -0.91 -3.33 114.58 111.66 2cnp h GLU 41 Ca -0.03 0.00 -0.76 0.00 -0.50 0.00 0.00 59.36 58.07 2cnp h GLU 41 Cb 0.34 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 27.98 2cnp h GLU 41 CO 0.05 0.00 -0.07 -0.51 -1.40 0.00 0.00 179.01 177.08 2cnp s LEU 42 N -5.82 6.32 -1.41 1.33 1.43 -0.19 -4.97 118.68 115.37 2cnp s LEU 42 Ca 0.06 -2.52 -0.09 0.00 -1.03 0.00 0.00 54.13 50.55 2cnp s LEU 42 Cb 0.07 -2.13 -0.08 0.00 0.03 0.00 0.00 46.19 44.08 2cnp s LEU 42 CO 0.62 -0.59 2.70 0.35 0.23 0.00 0.00 176.35 179.66 2cnp n THR 43 N 4.15 3.74 -0.08 5.49 -2.24 -1.25 -4.49 114.28 119.61 2cnp n THR 43 Ca 0.07 -2.25 -0.11 0.00 -2.27 0.00 0.00 64.05 59.49 2cnp n THR 43 Cb 0.44 -2.47 -0.06 0.00 -2.10 0.00 0.00 70.33 66.13 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 3.16 0.60 0.00 2.28 2.04 -1.92 -3.48 117.51 120.19 2cnp h ILE 44 Ca 0.76 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 65.01 2cnp h ILE 44 Cb 0.25 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2cnp h ILE 44 CO 1.69 0.20 0.00 0.61 0.00 0.00 0.00 178.15 180.65 2cnp n GLY 45 N 1.58 1.18 3.52 5.37 0.00 -1.26 -4.70 105.19 110.88 2cnp n GLY 45 Ca -0.15 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2cnp n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cnp n SER 46 N 2.56 3.40 -2.96 1.61 3.41 -1.26 -4.87 113.62 115.51 2cnp n SER 46 Ca 0.00 -2.74 -0.18 0.00 -0.26 0.00 0.00 58.87 55.69 2cnp n SER 46 Cb 0.00 -1.68 -0.14 0.00 -0.26 0.00 0.00 64.21 62.13 2cnp n SER 46 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2cnp n LYS 47 N 8.13 0.00 -1.74 4.33 4.76 -1.26 -4.75 118.16 127.62 2cnp n LYS 47 Ca 0.46 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.48 2cnp n LYS 47 Cb 0.46 -0.75 -0.03 0.00 -1.84 0.00 0.00 35.03 32.87 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 1.59 4.22 0.00 -0.35 1.43 -1.26 -4.60 118.68 119.71 2cnp s LEU 48 Ca 0.88 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 56.38 2cnp s LEU 48 Cb -0.63 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.06 2cnp s LEU 48 CO 0.36 -1.21 0.00 1.67 0.23 0.00 0.00 176.35 177.41 2cnp n GLN 49 N 7.70 0.00 0.00 1.70 7.27 -1.26 -3.68 117.38 129.11 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 0.42 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.07 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 1.19 0.00 -0.21 1.69 2.03 -1.26 -5.00 116.55 114.99 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 -0.05 0.00 -0.72 0.00 0.00 41.12 40.57 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 -1.97 -0.32 -0.14 -1.67 0.00 -1.24 -0.67 120.51 114.49 2cnp n ALA 51 Ca 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 53.44 53.85 2cnp n ALA 51 Cb 0.00 0.05 0.21 0.00 0.00 0.00 0.00 19.45 19.71 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 0.85 0.36 0.00 4.81 -1.89 0.17 114.58 118.88 2cnp h GLU 52 Ca 0.08 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2cnp h GLU 52 Cb 0.21 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2cnp h GLU 52 CO -0.48 0.72 -0.17 0.82 -0.73 0.00 0.00 179.01 179.17 2cnp h ILE 53 N 0.84 0.66 -0.91 2.32 5.03 -1.19 -0.17 117.51 124.09 2cnp h ILE 53 Ca 0.19 -0.22 0.06 0.00 -0.12 0.00 0.00 64.86 64.78 2cnp h ILE 53 Cb 0.20 0.77 -0.06 0.00 -3.03 0.00 0.00 36.82 34.70 2cnp h ILE 53 CO -0.01 0.04 0.57 0.58 -0.68 0.00 0.00 178.15 178.65 2cnp h VAL 54 N -0.60 1.05 0.07 1.67 2.07 -0.48 -0.13 116.25 119.90 2cnp h VAL 54 Ca -0.05 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.12 2cnp h VAL 54 Cb 0.44 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2cnp h VAL 54 CO 0.08 0.19 -0.10 0.11 0.02 0.00 0.00 177.57 177.87 2cnp h LYS 55 N 1.04 -0.20 -0.71 1.57 1.79 -0.25 0.30 116.57 120.10 2cnp h LYS 55 Ca 0.39 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.96 2cnp h LYS 55 Cb 0.17 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.81 2cnp h LYS 55 CO -0.17 -0.14 0.38 -0.07 -1.08 0.00 0.00 179.45 178.37 2cnp h LEU 56 N -0.21 0.54 0.61 2.94 3.38 -0.27 0.50 115.31 122.79 2cnp h LEU 56 Ca 0.02 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2cnp h LEU 56 Cb 0.22 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.92 2cnp h LEU 56 CO -0.06 0.33 -0.29 0.24 0.09 0.00 0.00 178.44 178.75 2cnp h MET 57 N 0.67 -0.78 -0.92 1.13 2.86 -0.70 -3.29 114.93 113.89 2cnp h MET 57 Ca 0.33 0.05 0.26 0.00 -2.06 0.00 0.00 59.70 58.28 2cnp h MET 57 Cb 0.28 0.18 -0.16 0.00 0.06 0.00 0.00 31.60 31.95 2cnp h MET 57 CO -0.22 -0.52 0.13 0.22 1.06 0.00 0.00 176.91 177.57 2cnp h ASP 58 N -1.15 -0.25 -0.97 1.22 3.58 -0.25 -1.02 116.42 117.58 2cnp h ASP 58 Ca -0.08 0.24 0.24 0.00 0.42 0.00 0.00 57.03 57.85 2cnp h ASP 58 Cb 0.62 0.38 -0.18 0.00 1.72 0.00 0.00 39.33 41.88 2cnp h ASP 58 CO 0.14 -0.28 -0.07 -0.67 -2.88 0.00 0.00 179.24 175.48 2cnp n ASP 59 N -5.37 -0.20 -0.07 2.28 2.03 0.15 -0.38 116.55 114.99 2cnp n ASP 59 Ca 0.22 1.66 -0.08 0.00 0.52 0.00 0.00 54.79 57.11 2cnp n ASP 59 Cb 0.74 -0.57 -0.01 0.00 -0.72 0.00 0.00 41.12 40.56 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 0.11 -0.03 -2.67 -0.00 -1.34 -0.58 115.31 110.80 2cnp h LEU 60 Ca 0.55 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 58.43 2cnp h LEU 60 Cb 1.03 0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2cnp h LEU 60 CO -0.94 0.10 -0.05 -0.78 -0.00 0.00 0.00 178.44 176.77 2cnp h ASP 61 N 0.22 0.09 -0.83 -0.43 3.58 -0.95 0.30 116.42 118.41 2cnp h ASP 61 Ca 0.11 -0.55 0.18 0.00 0.42 0.00 0.00 57.03 57.19 2cnp h ASP 61 Cb 0.08 -0.03 -0.11 0.00 1.72 0.00 0.00 39.33 40.99 2cnp h ASP 61 CO -0.11 0.62 0.35 -0.09 -2.88 0.00 0.00 179.24 177.13 2cnp h ARG 62 N -0.43 0.43 0.00 0.28 2.43 -0.58 -3.11 114.38 113.39 2cnp h ARG 62 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2cnp h ARG 62 Cb 0.61 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2cnp h ARG 62 CO 0.01 0.28 -0.39 -0.91 -1.51 0.00 0.00 179.97 177.45 2cnp h ASN 63 N 0.44 0.00 0.00 -3.80 2.35 -1.14 -3.47 115.58 109.97 2cnp h ASN 63 Ca 0.48 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 2cnp h ASN 63 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.18 2cnp h ASN 63 CO -0.46 0.74 0.00 2.29 -1.65 0.00 0.00 177.43 178.35 2cnp n LYS 64 N -4.65 0.00 -1.13 0.81 2.85 0.11 -0.31 118.16 115.83 2cnp n LYS 64 Ca -0.07 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.21 2cnp n LYS 64 Cb 0.22 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.61 2cnp n LYS 64 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2cnp n ASP 65 N 0.12 0.46 -4.14 -5.58 8.00 -1.26 -5.05 116.55 109.10 2cnp n ASP 65 Ca 0.00 -1.95 -0.22 0.00 0.71 0.00 0.00 54.79 53.33 2cnp n ASP 65 Cb 0.00 -0.19 -0.14 0.00 -0.02 0.00 0.00 41.12 40.77 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 0.00 1.13 0.58 -1.24 1.11 0.57 -5.14 119.66 116.67 2cnp s GLN 66 Ca 0.20 -0.63 -0.18 0.00 0.01 0.00 0.00 55.36 54.75 2cnp s GLN 66 Cb 0.22 -1.12 -0.04 0.00 -1.01 0.00 0.00 33.01 31.07 2cnp s GLN 66 CO -0.10 0.30 1.12 -1.21 0.01 0.00 0.00 175.29 175.41 2cnp s GLU 67 N -0.66 3.17 0.08 2.91 8.01 -1.26 -4.62 118.70 126.33 2cnp s GLU 67 Ca 0.05 1.53 0.04 0.00 0.01 0.00 0.00 54.97 56.59 2cnp s GLU 67 Cb -0.07 -1.99 -0.04 0.00 -4.31 0.00 0.00 34.13 27.73 2cnp s GLU 67 CO 0.00 -0.98 0.01 0.14 0.01 0.00 0.00 175.26 174.44 2cnp s VAL 68 N -1.98 4.08 0.65 2.63 -7.23 0.55 -4.94 120.40 114.15 2cnp s VAL 68 Ca 0.71 -0.93 -0.03 0.00 -1.81 0.00 0.00 61.98 59.91 2cnp s VAL 68 Cb -0.22 -2.93 0.06 0.00 0.56 0.00 0.00 36.38 33.84 2cnp s VAL 68 CO 0.32 0.15 0.93 0.54 -0.31 0.00 0.00 175.10 176.72 2cnp s ASN 69 N -2.24 4.92 0.13 4.85 2.20 -1.26 -1.13 114.94 122.40 2cnp s ASN 69 Ca 0.25 0.22 -0.25 0.00 -0.94 0.00 0.00 52.86 52.15 2cnp s ASN 69 Cb -0.12 -0.93 -0.06 0.00 -2.00 0.00 0.00 41.25 38.15 2cnp s ASN 69 CO 0.18 -1.47 1.36 0.33 -2.94 0.00 0.00 177.10 174.56 2cnp n PHE 70 N -2.72 -0.35 -0.24 1.54 7.35 -0.75 -0.42 117.46 121.88 2cnp n PHE 70 Ca 0.09 1.00 -0.04 0.00 -0.76 0.00 0.00 57.45 57.74 2cnp n PHE 70 Cb 0.60 -0.56 0.13 0.00 0.35 0.00 0.00 39.48 40.01 2cnp n PHE 70 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 2cnp h GLN 71 N 0.00 1.07 -0.22 -4.13 5.75 -1.95 0.13 115.11 115.76 2cnp h GLN 71 Ca 0.13 -0.17 -0.07 0.00 -0.15 0.00 0.00 58.65 58.39 2cnp h GLN 71 Cb 0.33 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 2cnp h GLN 71 CO -0.75 0.85 -0.18 0.93 -2.65 0.00 0.00 178.83 177.04 2cnp h GLU 72 N 1.06 0.39 0.31 1.69 3.07 -1.69 0.17 114.58 119.57 2cnp h GLU 72 Ca 0.25 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.36 58.98 2cnp h GLU 72 Cb 0.16 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2cnp h GLU 72 CO -0.03 0.56 -0.15 -0.92 -1.40 0.00 0.00 179.01 177.07 2cnp h TYR 73 N 0.35 -0.39 -0.85 4.33 3.20 0.58 -2.96 116.97 121.24 2cnp h TYR 73 Ca 0.06 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.07 2cnp h TYR 73 Cb 0.52 0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.83 2cnp h TYR 73 CO 0.01 -0.20 0.44 0.82 -1.64 0.00 0.00 178.16 177.59 2cnp h ILE 74 N -0.48 0.73 -0.91 1.81 1.08 -0.17 0.10 117.51 119.67 2cnp h ILE 74 Ca -0.04 -0.21 0.14 0.00 -0.39 0.00 0.00 64.86 64.35 2cnp h ILE 74 Cb 0.36 0.05 -0.07 0.00 -3.07 0.00 0.00 36.82 34.09 2cnp h ILE 74 CO 0.07 0.11 0.58 0.74 -0.69 0.00 0.00 178.15 178.97 2cnp h THR 75 N 0.63 0.85 -0.12 -0.27 2.02 -0.57 0.21 112.91 115.66 2cnp h THR 75 Ca 0.46 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.41 2cnp h THR 75 Cb 0.65 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2cnp h THR 75 CO -0.36 0.14 -0.04 0.15 0.37 0.00 0.00 175.52 175.78 2cnp h PHE 76 N 0.75 -0.09 -0.41 3.16 3.57 -0.64 0.12 116.94 123.40 2cnp h PHE 76 Ca 0.46 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.91 2cnp h PHE 76 Cb 0.67 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 2cnp h PHE 76 CO -0.00 -0.07 0.04 -0.07 -2.23 0.00 0.00 178.31 175.98 2cnp h LEU 77 N -0.02 0.68 -0.51 0.59 3.38 -0.99 -0.40 115.31 118.04 2cnp h LEU 77 Ca 0.06 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2cnp h LEU 77 Cb 0.11 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2cnp h LEU 77 CO -0.13 0.79 0.18 1.23 0.09 0.00 0.00 178.44 180.60 2cnp h GLY 78 N 0.55 0.84 0.86 0.83 0.00 -0.44 0.76 103.07 106.47 2cnp h GLY 78 Ca 0.12 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 2cnp h GLY 78 CO 0.01 0.45 0.01 0.00 0.00 0.00 0.00 176.54 177.01 2cnp h ALA 79 N 1.04 0.02 -0.39 3.60 0.00 -0.70 0.36 119.26 123.18 2cnp h ALA 79 Ca 0.17 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2cnp h ALA 79 Cb 0.24 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 2cnp h ALA 79 CO -0.01 -0.41 -0.41 1.25 0.00 0.00 0.00 179.25 179.66 2cnp h LEU 80 N -0.12 -1.37 -0.18 0.00 5.85 -0.87 0.45 115.31 119.06 2cnp h LEU 80 Ca 0.00 0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.99 2cnp h LEU 80 Cb 0.14 0.60 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 2cnp h LEU 80 CO -0.00 -0.37 -0.25 0.00 -0.34 0.00 0.00 178.44 177.48 2cnp h ALA 81 N 0.45 -0.20 -0.09 1.25 0.00 -0.66 -1.38 119.26 118.64 2cnp h ALA 81 Ca 0.14 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2cnp h ALA 81 Cb 0.58 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2cnp h ALA 81 CO -0.56 -0.70 -0.05 0.52 0.00 0.00 0.00 179.25 178.46 2cnp h MET 82 N -0.29 -0.05 -0.00 0.00 2.86 -0.38 0.19 114.93 117.25 2cnp h MET 82 Ca 0.12 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2cnp h MET 82 Cb 0.47 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 2cnp h MET 82 CO -0.35 -0.03 0.00 0.82 1.06 0.00 0.00 176.91 178.40 2cnp h ILE 83 N -0.05 1.14 0.14 -1.22 2.04 -0.53 -3.12 117.51 115.90 2cnp h ILE 83 Ca 0.05 -0.40 -0.30 0.00 1.00 0.00 0.00 64.86 65.21 2cnp h ILE 83 Cb 0.13 1.40 0.03 0.00 -0.74 0.00 0.00 36.82 37.65 2cnp h ILE 83 CO -0.12 0.10 -1.25 0.10 0.00 0.00 0.00 178.15 176.99 2cnp h TYR 84 N -0.16 0.99 -0.34 1.37 -0.00 -1.25 -3.26 116.97 114.31 2cnp h TYR 84 Ca 0.00 -0.64 -0.71 0.00 0.00 0.00 0.00 58.73 57.38 2cnp h TYR 84 Cb 0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 36.73 36.77 2cnp h TYR 84 CO -0.02 1.48 3.03 0.09 -0.00 0.00 0.00 178.16 182.74 2cnp n ASN 85 N -3.81 5.42 -0.33 0.10 3.02 0.65 -4.78 115.26 115.53 2cnp n ASN 85 Ca -0.14 -2.86 0.23 0.00 -0.03 0.00 0.00 54.58 51.78 2cnp n ASN 85 Cb 0.99 -1.58 0.44 0.00 -0.61 0.00 0.00 39.78 39.02 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 5.64 0.07 -0.57 3.52 5.08 -1.58 0.12 114.58 126.85 2cnp h GLU 86 Ca 0.61 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 59.06 2cnp h GLU 86 Cb 0.54 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.68 2cnp h GLU 86 CO 1.79 0.04 -0.20 0.00 -1.00 0.00 0.00 179.01 179.65 2cnp n ALA 87 N -2.60 -0.00 0.29 3.43 0.00 -1.26 -0.61 120.51 119.76 2cnp n ALA 87 Ca 0.30 0.59 0.17 0.00 0.00 0.00 0.00 53.44 54.50 2cnp n ALA 87 Cb 1.01 -0.30 0.96 0.00 0.00 0.00 0.00 19.45 21.13 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 -0.17 0.00 3.38 -1.01 0.21 115.31 117.72 2cnp h LEU 88 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2cnp h LEU 88 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2cnp h LEU 88 CO -0.57 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.07 2cnp h LYS 89 N 0.00 0.00 0.00 1.13 1.57 -1.05 -3.50 116.57 114.73 2cnp h LYS 89 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2cnp h LYS 89 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2cnp h LYS 89 CO -0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29