#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cnp n ALA 2 N 0.00 0.00 -0.64 3.04 0.00 -1.26 -5.08 120.51 116.57 1cnp n ALA 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1cnp n ALA 2 Cb 0.00 -0.33 0.19 0.00 0.00 0.00 0.00 19.45 19.32 1cnp n ALA 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1cnp s SER 3 N -2.65 2.34 0.15 0.00 0.01 -1.26 -4.64 113.70 107.65 1cnp s SER 3 Ca 0.00 2.02 -0.27 0.00 1.31 0.00 0.00 55.95 59.00 1cnp s SER 3 Cb 0.00 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 1cnp s SER 3 CO 0.00 -3.44 1.57 -0.65 0.41 0.00 0.00 173.24 171.13 1cnp h PRO 4 N -2.10 -0.33 -0.83 12.44 0.11 -1.99 0.47 132.00 139.77 1cnp h PRO 4 Ca -0.48 0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.72 1cnp h PRO 4 Cb 1.29 0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.41 1cnp h PRO 4 CO 0.44 -0.22 0.50 1.37 -0.21 0.00 0.00 178.00 179.88 1cnp h LEU 5 N -0.34 0.76 -0.41 2.35 8.10 -1.98 0.41 115.31 124.21 1cnp h LEU 5 Ca 0.13 0.03 0.05 0.00 0.11 0.00 0.00 57.88 58.20 1cnp h LEU 5 Cb 0.59 -0.13 -0.05 0.00 -0.44 0.00 0.00 40.66 40.63 1cnp h LEU 5 CO -0.56 0.47 0.13 0.44 -4.11 0.00 0.00 178.44 174.81 1cnp h ASP 6 N 0.89 0.12 -0.15 0.17 3.32 -1.54 0.14 116.42 119.37 1cnp h ASP 6 Ca 0.37 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.47 1cnp h ASP 6 Cb 0.23 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1cnp h ASP 6 CO -0.19 0.10 0.09 1.56 -1.72 0.00 0.00 179.24 179.08 1cnp h GLN 7 N 0.28 0.21 0.00 3.56 4.20 0.06 0.33 115.11 123.74 1cnp h GLN 7 Ca 0.19 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1cnp h GLN 7 Cb 0.19 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1cnp h GLN 7 CO -0.21 0.18 -0.19 0.00 -0.67 0.00 0.00 178.83 177.94 1cnp h ALA 8 N 1.02 1.36 -0.00 3.87 0.00 -0.21 0.11 119.26 125.41 1cnp h ALA 8 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1cnp h ALA 8 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1cnp h ALA 8 CO -0.01 0.23 -0.05 0.82 0.00 0.00 0.00 179.25 180.25 1cnp h ILE 9 N 0.00 1.60 -0.87 0.00 5.03 -0.58 -3.37 117.51 119.32 1cnp h ILE 9 Ca -0.00 -1.84 0.23 0.00 -0.12 0.00 0.00 64.86 63.13 1cnp h ILE 9 Cb 0.43 2.83 -0.14 0.00 -3.03 0.00 0.00 36.82 36.90 1cnp h ILE 9 CO 0.02 0.48 0.21 1.23 -0.68 0.00 0.00 178.15 179.42 1cnp h GLY 10 N -0.72 1.31 0.28 5.37 0.00 0.90 0.15 103.07 110.36 1cnp h GLY 10 Ca -0.01 -0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.36 1cnp h GLY 10 CO 0.01 -0.37 -0.21 -2.00 0.00 0.00 0.00 176.54 173.98 1cnp h LEU 11 N 0.19 -0.66 -0.60 3.11 7.12 -1.00 0.24 115.31 123.72 1cnp h LEU 11 Ca 0.54 0.12 -0.14 0.00 0.13 0.00 0.00 57.88 58.53 1cnp h LEU 11 Cb 1.08 0.31 -0.01 0.00 -0.53 0.00 0.00 40.66 41.51 1cnp h LEU 11 CO -0.66 -0.25 -0.36 -0.07 -0.13 0.00 0.00 178.44 176.97 1cnp h LEU 12 N -0.23 0.75 -0.67 2.25 4.07 -0.97 -1.11 115.31 119.40 1cnp h LEU 12 Ca 0.12 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.76 1cnp h LEU 12 Cb 0.41 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.91 1cnp h LEU 12 CO -0.33 1.04 0.42 0.40 -1.08 0.00 0.00 178.44 178.89 1cnp h ILE 13 N 0.60 1.19 0.24 1.22 1.08 -0.62 0.12 117.51 121.33 1cnp h ILE 13 Ca 0.06 -0.38 0.01 0.00 -0.39 0.00 0.00 64.86 64.16 1cnp h ILE 13 Cb 0.89 0.23 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 1cnp h ILE 13 CO 0.08 0.19 -0.43 1.23 -0.69 0.00 0.00 178.15 178.53 1cnp h GLY 14 N 0.91 -0.93 0.63 5.37 0.00 -0.08 -2.88 103.07 106.09 1cnp h GLY 14 Ca 0.24 0.51 0.05 0.00 0.00 0.00 0.00 47.33 48.13 1cnp h GLY 14 CO -0.05 -0.29 0.13 -2.22 0.00 0.00 0.00 176.54 174.11 1cnp h ILE 15 N -0.74 0.87 -0.67 2.60 2.04 -1.04 -3.36 117.51 117.21 1cnp h ILE 15 Ca -0.00 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1cnp h ILE 15 Cb 0.72 0.55 -0.08 0.00 -0.74 0.00 0.00 36.82 37.27 1cnp h ILE 15 CO -0.18 0.05 -0.40 0.33 0.00 0.00 0.00 178.15 177.96 1cnp n PHE 16 N -5.02 -0.30 1.68 1.37 7.35 0.40 -0.73 117.46 122.21 1cnp n PHE 16 Ca 0.02 0.84 0.02 0.00 -0.76 0.00 0.00 57.45 57.58 1cnp n PHE 16 Cb 0.15 -0.54 0.09 0.00 0.35 0.00 0.00 39.48 39.52 1cnp n PHE 16 CO 0.00 0.00 0.00 -2.39 -0.76 0.00 0.00 176.76 173.61 1cnp n HIS 17 N -4.55 0.13 0.01 -5.13 1.44 -1.26 -4.14 115.22 101.72 1cnp n HIS 17 Ca 0.01 -0.07 -0.01 0.00 -2.01 0.00 0.00 57.72 55.65 1cnp n HIS 17 Cb 0.18 0.00 0.28 0.00 0.12 0.00 0.00 29.99 30.57 1cnp n HIS 17 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 1cnp h LYS 18 N 0.61 0.50 -7.23 -1.40 1.63 -1.11 -3.36 116.57 106.19 1cnp h LYS 18 Ca 0.00 -0.12 -0.50 0.00 -0.85 0.00 0.00 60.65 59.18 1cnp h LYS 18 Cb 0.14 -0.06 0.09 0.00 -0.60 0.00 0.00 32.23 31.79 1cnp h LYS 18 CO 0.00 0.57 0.37 0.71 -3.45 0.00 0.00 179.45 177.65 1cnp s TYR 19 N -4.86 2.85 -1.41 1.91 2.02 -1.26 -3.79 117.35 112.80 1cnp s TYR 19 Ca -0.07 1.51 -0.18 0.00 -0.37 0.00 0.00 57.07 57.96 1cnp s TYR 19 Cb 0.15 -3.04 0.18 0.00 -0.40 0.00 0.00 41.96 38.85 1cnp s TYR 19 CO 0.77 -1.39 0.45 -1.13 -1.57 0.00 0.00 175.55 172.67 1cnp n SER 20 N -2.51 -1.59 -0.12 2.29 3.41 -1.26 -4.57 113.62 109.27 1cnp n SER 20 Ca 0.09 -0.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 1cnp n SER 20 Cb 0.53 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1cnp n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cnp n GLY 21 N -0.91 -2.03 0.38 5.00 0.00 -1.25 -5.10 105.19 101.28 1cnp n GLY 21 Ca 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1cnp n GLY 21 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1cnp n LYS 22 N 0.60 -1.08 -0.18 1.61 2.85 -1.26 -4.99 118.16 115.71 1cnp n LYS 22 Ca 0.00 0.79 -0.01 0.00 -1.05 0.00 0.00 58.31 58.04 1cnp n LYS 22 Cb 0.00 -0.88 0.01 0.00 -0.65 0.00 0.00 35.03 33.51 1cnp n LYS 22 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1cnp n GLU 23 N -0.67 0.03 0.00 -1.58 -0.58 -1.26 -4.67 120.64 111.92 1cnp n GLU 23 Ca 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1cnp n GLU 23 Cb 0.00 -0.06 0.00 0.00 -0.57 0.00 0.00 31.44 30.81 1cnp n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1cnp n GLY 24 N 4.59 0.24 3.56 0.62 0.00 -1.26 -4.25 105.19 108.69 1cnp n GLY 24 Ca 0.01 0.68 -0.27 0.00 0.00 0.00 0.00 46.02 46.43 1cnp n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cnp n ASP 25 N 5.92 2.77 -2.69 1.61 2.03 -1.26 -3.96 116.55 120.97 1cnp n ASP 25 Ca 0.00 -2.66 -0.07 0.00 0.52 0.00 0.00 54.79 52.57 1cnp n ASP 25 Cb 0.00 -1.70 0.06 0.00 -0.72 0.00 0.00 41.12 38.76 1cnp n ASP 25 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1cnp n LYS 26 N 8.19 1.23 -0.32 -0.67 4.76 -1.26 -5.00 118.16 125.09 1cnp n LYS 26 Ca 0.45 -2.88 0.15 0.00 -2.87 0.00 0.00 58.31 53.16 1cnp n LYS 26 Cb 0.46 -0.95 0.38 0.00 -1.84 0.00 0.00 35.03 33.09 1cnp n LYS 26 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1cnp h HIS 27 N 2.65 0.89 -3.96 2.13 2.07 -1.96 -3.39 115.15 113.59 1cnp h HIS 27 Ca -0.16 0.03 -0.31 0.00 -2.85 0.00 0.00 60.37 57.08 1cnp h HIS 27 Cb 1.22 -0.27 -0.21 0.00 2.57 0.00 0.00 27.41 30.72 1cnp h HIS 27 CO 0.39 0.22 -0.75 0.95 -3.07 0.00 0.00 177.93 175.68 1cnp s THR 28 N -5.71 0.70 0.56 6.12 -4.23 -1.26 -4.65 115.64 107.16 1cnp s THR 28 Ca -0.10 -1.15 0.06 0.00 -1.18 0.00 0.00 61.69 59.32 1cnp s THR 28 Cb 0.24 -0.75 0.06 0.00 1.34 0.00 0.00 72.50 73.39 1cnp s THR 28 CO 0.80 -0.35 0.51 -0.76 -0.54 0.00 0.00 174.62 174.28 1cnp s LEU 29 N -1.64 2.74 -0.33 4.79 2.01 0.58 -4.94 118.68 121.89 1cnp s LEU 29 Ca -0.08 -1.19 0.06 0.00 0.01 0.00 0.00 54.13 52.94 1cnp s LEU 29 Cb -0.10 -1.23 0.19 0.00 0.01 0.00 0.00 46.19 45.06 1cnp s LEU 29 CO 0.01 -1.22 0.57 -0.94 1.01 0.00 0.00 176.35 175.79 1cnp s SER 30 N -4.40 -1.29 0.00 2.29 1.04 -1.26 -0.66 113.70 109.42 1cnp s SER 30 Ca 0.40 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1cnp s SER 30 Cb -0.03 1.86 0.00 0.00 0.10 0.00 0.00 66.02 67.95 1cnp s SER 30 CO 0.25 -0.27 0.00 2.29 0.98 0.00 0.00 173.24 176.50 1cnp n LYS 31 N 5.08 0.00 -0.29 4.02 2.85 -1.20 -4.20 118.16 124.43 1cnp n LYS 31 Ca 0.06 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.31 1cnp n LYS 31 Cb 0.54 0.00 0.11 0.00 -0.65 0.00 0.00 35.03 35.03 1cnp n LYS 31 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 1cnp h LYS 32 N 0.00 0.93 -0.34 -1.58 2.10 -1.97 0.50 116.57 116.22 1cnp h LYS 32 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1cnp h LYS 32 Cb 0.00 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 31.10 1cnp h LYS 32 CO 0.00 0.62 0.22 0.93 -2.00 0.00 0.00 179.45 179.21 1cnp h GLU 33 N 0.96 0.46 -0.95 0.07 3.07 -1.97 -0.18 114.58 116.04 1cnp h GLU 33 Ca 0.33 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.15 1cnp h GLU 33 Cb 0.07 -0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 27.84 1cnp h GLU 33 CO -0.14 0.33 0.58 -0.07 -1.40 0.00 0.00 179.01 178.31 1cnp h LEU 34 N 0.45 1.14 -0.44 1.33 -0.00 -1.29 0.44 115.31 116.94 1cnp h LEU 34 Ca 0.12 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1cnp h LEU 34 Cb -0.02 -0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 40.33 1cnp h LEU 34 CO -0.02 0.87 0.24 0.11 -0.00 0.00 0.00 178.44 179.63 1cnp h LYS 35 N 1.31 0.62 -0.76 1.13 1.79 -0.79 0.21 116.57 120.08 1cnp h LYS 35 Ca 0.34 -0.08 0.10 0.00 -2.18 0.00 0.00 60.65 58.84 1cnp h LYS 35 Cb -0.06 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.41 1cnp h LYS 35 CO -0.06 0.50 0.50 1.49 -1.08 0.00 0.00 179.45 180.80 1cnp h GLU 36 N 0.58 0.63 0.00 3.15 4.81 0.47 -3.33 114.58 120.89 1cnp h GLU 36 Ca 0.15 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1cnp h GLU 36 Cb 0.07 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1cnp h GLU 36 CO -0.02 0.42 0.00 -0.11 -0.73 0.00 0.00 179.01 178.57 1cnp n LEU 37 N -4.50 1.46 -0.28 1.64 0.00 0.14 -4.26 117.00 111.20 1cnp n LEU 37 Ca 0.13 0.03 0.10 0.00 0.00 0.00 0.00 56.01 56.27 1cnp n LEU 37 Cb 0.35 -0.06 0.33 0.00 0.00 0.00 0.00 43.42 44.05 1cnp n LEU 37 CO 0.32 -0.06 1.23 0.16 0.00 0.00 0.00 177.39 179.04 1cnp h ILE 38 N 0.00 0.90 0.00 1.96 3.07 -0.79 0.26 117.51 122.91 1cnp h ILE 38 Ca 0.00 -0.27 -0.08 0.00 1.55 0.00 0.00 64.86 66.05 1cnp h ILE 38 Cb 0.00 0.03 -0.01 0.00 -0.27 0.00 0.00 36.82 36.57 1cnp h ILE 38 CO 0.00 0.14 -0.40 1.56 -1.05 0.00 0.00 178.15 178.40 1cnp h GLN 39 N 0.79 0.00 0.00 0.16 4.20 -1.72 -3.31 115.11 115.23 1cnp h GLN 39 Ca 0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.15 1cnp h GLN 39 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1cnp h GLN 39 CO -0.20 0.40 -0.45 1.63 -0.67 0.00 0.00 178.83 179.54 1cnp n LYS 40 N -4.06 0.36 0.00 1.46 5.02 -0.21 -4.70 118.16 116.03 1cnp n LYS 40 Ca -0.02 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1cnp n LYS 40 Cb 0.43 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1cnp n LYS 40 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1cnp n GLU 41 N -4.06 0.00 0.00 1.97 4.71 0.74 -0.29 120.64 123.71 1cnp n GLU 41 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 1cnp n GLU 41 Cb 0.23 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.66 1cnp n GLU 41 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1cnp n LEU 42 N 0.00 0.00 -1.99 -4.62 4.77 -1.25 0.43 117.00 114.34 1cnp n LEU 42 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1cnp n LEU 42 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1cnp n LEU 42 CO 0.00 0.00 1.53 0.35 -1.33 0.00 0.00 177.39 177.94 1cnp n THR 43 N 0.00 2.91 0.02 -5.08 -2.24 -1.25 -3.56 114.28 105.07 1cnp n THR 43 Ca 0.00 -1.55 0.00 0.00 -2.27 0.00 0.00 64.05 60.23 1cnp n THR 43 Cb 0.00 -1.88 0.00 0.00 -2.10 0.00 0.00 70.33 66.35 1cnp n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cnp n ILE 44 N 2.15 0.00 -2.76 2.28 3.06 -1.15 -4.89 119.36 118.05 1cnp n ILE 44 Ca 0.38 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.53 1cnp n ILE 44 Cb 0.82 0.00 0.02 0.00 0.54 0.00 0.00 39.64 41.02 1cnp n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1cnp n GLY 45 N -1.18 0.20 4.87 4.50 0.00 0.17 -4.27 105.19 109.49 1cnp n GLY 45 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1cnp n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cnp n SER 46 N -0.31 0.00 -1.31 1.61 7.64 0.61 -4.76 113.62 117.10 1cnp n SER 46 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1cnp n SER 46 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1cnp n SER 46 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1cnp n LYS 47 N 0.00 0.73 0.00 1.43 0.00 -1.26 -4.95 118.16 114.12 1cnp n LYS 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1cnp n LYS 47 Cb 0.00 -1.13 0.00 0.00 -0.00 0.00 0.00 35.03 33.90 1cnp n LYS 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1cnp n LEU 48 N 1.12 0.00 -3.26 -5.58 4.77 -1.26 -4.96 117.00 107.83 1cnp n LEU 48 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1cnp n LEU 48 Cb 0.37 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1cnp n LEU 48 CO 0.00 0.00 -0.07 1.67 -1.33 0.00 0.00 177.39 177.66 1cnp n GLN 49 N 1.72 -1.94 -4.03 3.23 7.27 -1.26 -4.82 117.38 117.55 1cnp n GLN 49 Ca 0.00 1.58 -0.13 0.00 0.07 0.00 0.00 57.00 58.52 1cnp n GLN 49 Cb 0.00 -3.90 -0.03 0.00 2.41 0.00 0.00 30.24 28.72 1cnp n GLN 49 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1cnp s ASP 50 N -2.32 0.59 0.09 1.69 2.15 -1.26 -4.83 116.67 112.78 1cnp s ASP 50 Ca 0.22 -1.33 0.05 0.00 0.43 0.00 0.00 52.55 51.91 1cnp s ASP 50 Cb -0.04 0.68 -0.03 0.00 -0.30 0.00 0.00 42.92 43.23 1cnp s ASP 50 CO 0.82 -1.33 -0.12 0.00 -0.17 0.00 0.00 175.17 174.37 1cnp s ALA 51 N -3.11 1.19 0.12 3.66 0.00 -1.26 -5.03 121.76 117.33 1cnp s ALA 51 Ca 0.27 -1.13 -0.17 0.00 0.00 0.00 0.00 51.96 50.92 1cnp s ALA 51 Cb -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1cnp s ALA 51 CO 0.17 0.06 1.67 1.05 0.00 0.00 0.00 175.76 178.70 1cnp h GLU 52 N 3.82 0.47 -0.99 0.00 -0.00 -2.03 0.67 114.58 116.54 1cnp h GLU 52 Ca -0.39 -0.08 0.05 0.00 -0.00 0.00 0.00 59.36 58.94 1cnp h GLU 52 Cb 1.19 -0.08 -0.06 0.00 -0.00 0.00 0.00 28.75 29.80 1cnp h GLU 52 CO 0.48 0.47 0.64 -0.84 -0.00 0.00 0.00 179.01 179.76 1cnp h ILE 53 N 0.37 1.12 0.40 -1.06 3.07 -1.98 0.16 117.51 119.60 1cnp h ILE 53 Ca 0.11 -0.41 -0.02 0.00 1.55 0.00 0.00 64.86 66.09 1cnp h ILE 53 Cb 0.17 -0.17 0.00 0.00 -0.27 0.00 0.00 36.82 36.55 1cnp h ILE 53 CO -0.01 0.22 -0.19 0.58 -1.05 0.00 0.00 178.15 177.70 1cnp h VAL 54 N 1.19 0.57 -0.44 0.16 2.07 -1.82 -0.40 116.25 117.58 1cnp h VAL 54 Ca 0.41 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1cnp h VAL 54 Cb 0.09 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1cnp h VAL 54 CO -0.15 0.08 0.18 0.50 0.02 0.00 0.00 177.57 178.20 1cnp h LYS 55 N -0.80 0.63 0.05 1.57 1.63 -0.61 0.19 116.57 119.23 1cnp h LYS 55 Ca -0.05 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1cnp h LYS 55 Cb 0.54 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1cnp h LYS 55 CO 0.09 0.52 -0.04 1.25 -3.45 0.00 0.00 179.45 177.82 1cnp h LEU 56 N 0.63 -0.10 0.33 5.20 5.85 -0.66 -3.26 115.31 123.30 1cnp h LEU 56 Ca 0.15 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1cnp h LEU 56 Cb 0.13 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1cnp h LEU 56 CO -0.02 -0.06 -0.16 -0.03 -0.34 0.00 0.00 178.44 177.83 1cnp h MET 57 N -0.09 -0.43 -0.42 1.25 4.05 0.73 -3.32 114.93 116.71 1cnp h MET 57 Ca 0.00 0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.49 1cnp h MET 57 Cb 0.08 0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 30.93 1cnp h MET 57 CO -0.01 -0.22 -0.25 -0.25 0.23 0.00 0.00 176.91 176.42 1cnp n ASP 58 N -5.24 -0.44 0.10 1.39 8.00 0.50 -1.33 116.55 119.54 1cnp n ASP 58 Ca -0.10 1.07 0.06 0.00 0.71 0.00 0.00 54.79 56.53 1cnp n ASP 58 Cb 0.23 -0.26 0.30 0.00 -0.02 0.00 0.00 41.12 41.36 1cnp n ASP 58 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1cnp n ASP 59 N -3.96 0.29 -0.01 -2.24 2.03 -1.23 -1.70 116.55 109.73 1cnp n ASP 59 Ca 0.01 0.56 -0.17 0.00 0.52 0.00 0.00 54.79 55.72 1cnp n ASP 59 Cb 0.11 -0.57 -0.14 0.00 -0.72 0.00 0.00 41.12 39.80 1cnp n ASP 59 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1cnp n LEU 60 N -1.88 2.00 -0.20 -2.67 4.77 -0.44 -4.28 117.00 114.31 1cnp n LEU 60 Ca -0.01 0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 56.23 1cnp n LEU 60 Cb 0.15 -0.65 0.10 0.00 -2.33 0.00 0.00 43.42 40.69 1cnp n LEU 60 CO 0.05 0.69 1.00 -0.78 -1.33 0.00 0.00 177.39 177.02 1cnp h ASP 61 N 0.04 0.27 0.00 -1.43 1.82 -1.41 -0.28 116.42 115.45 1cnp h ASP 61 Ca -0.38 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.32 1cnp h ASP 61 Cb 2.03 0.03 0.00 0.00 0.68 0.00 0.00 39.33 42.07 1cnp h ASP 61 CO 0.08 0.17 0.00 -2.11 -1.61 0.00 0.00 179.24 175.77 1cnp n ARG 62 N -4.96 0.26 -0.26 0.28 1.85 -1.26 -4.66 116.66 107.92 1cnp n ARG 62 Ca 0.08 0.00 0.21 0.00 -1.00 0.00 0.00 57.85 57.14 1cnp n ARG 62 Cb 0.24 -1.21 0.34 0.00 -1.05 0.00 0.00 32.46 30.79 1cnp n ARG 62 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1cnp n ASN 63 N 0.53 0.07 -2.90 2.89 0.23 -0.12 -2.67 115.26 113.29 1cnp n ASN 63 Ca 0.00 0.61 -0.20 0.00 -0.53 0.00 0.00 54.58 54.46 1cnp n ASN 63 Cb 0.09 -0.30 -0.05 0.00 -2.08 0.00 0.00 39.78 37.44 1cnp n ASN 63 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1cnp n LYS 64 N -3.43 2.06 0.20 -3.83 5.02 -1.26 -4.56 118.16 112.37 1cnp n LYS 64 Ca 0.20 -1.31 0.18 0.00 -2.02 0.00 0.00 58.31 55.36 1cnp n LYS 64 Cb 0.81 -2.31 0.83 0.00 -0.02 0.00 0.00 35.03 34.34 1cnp n LYS 64 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1cnp h ASP 65 N 5.48 0.00 -0.30 4.39 3.58 -1.90 0.19 116.42 127.86 1cnp h ASP 65 Ca 0.44 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.91 1cnp h ASP 65 Cb 0.42 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.44 1cnp h ASP 65 CO 1.16 0.00 0.12 1.56 -2.88 0.00 0.00 179.24 179.20 1cnp h GLN 66 N 0.00 0.26 -1.69 0.28 4.20 -1.90 -3.16 115.11 113.10 1cnp h GLN 66 Ca 0.10 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1cnp h GLN 66 Cb 0.68 -0.06 -0.26 0.00 0.30 0.00 0.00 27.48 28.15 1cnp h GLN 66 CO -0.00 0.17 -0.37 -2.00 -0.67 0.00 0.00 178.83 175.96 1cnp s GLU 67 N -6.17 0.43 -0.15 1.46 -6.30 0.66 -4.66 118.70 103.98 1cnp s GLU 67 Ca -0.13 0.83 0.00 0.00 -2.50 0.00 0.00 54.97 53.17 1cnp s GLU 67 Cb 0.11 0.07 -0.00 0.00 0.00 0.00 0.00 34.13 34.30 1cnp s GLU 67 CO 0.70 -0.55 -0.15 0.08 0.02 0.00 0.00 175.26 175.37 1cnp s VAL 68 N 2.68 2.74 0.56 3.70 1.01 0.17 -4.67 120.40 126.59 1cnp s VAL 68 Ca 0.12 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.40 1cnp s VAL 68 Cb -0.15 -2.16 0.04 0.00 0.00 0.00 0.00 36.38 34.12 1cnp s VAL 68 CO -0.17 0.51 0.39 0.21 0.00 0.00 0.00 175.10 176.04 1cnp s ASN 69 N 0.75 4.58 0.30 3.32 3.84 -1.26 -0.30 114.94 126.16 1cnp s ASN 69 Ca -0.06 -1.32 0.04 0.00 0.21 0.00 0.00 52.86 51.72 1cnp s ASN 69 Cb -0.15 0.54 0.64 0.00 -0.55 0.00 0.00 41.25 41.73 1cnp s ASN 69 CO 0.01 -1.15 1.82 0.15 -2.79 0.00 0.00 177.10 175.14 1cnp h PHE 70 N 0.74 1.10 -0.22 0.43 3.04 -1.96 -2.15 116.94 117.92 1cnp h PHE 70 Ca -0.37 0.03 0.06 0.00 3.98 0.00 0.00 57.97 61.67 1cnp h PHE 70 Cb 1.31 -0.34 -0.07 0.00 2.56 0.00 0.00 35.95 39.41 1cnp h PHE 70 CO 1.07 0.36 -0.27 0.37 -2.02 0.00 0.00 178.31 177.82 1cnp h GLN 71 N 0.89 -0.29 0.41 1.11 -0.00 -1.98 0.30 115.11 115.56 1cnp h GLN 71 Ca 0.53 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 59.18 1cnp h GLN 71 Cb 0.66 0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.21 1cnp h GLN 71 CO -0.31 -0.19 -0.20 0.93 0.00 0.00 0.00 178.83 179.07 1cnp h GLU 72 N -0.30 -0.53 -0.96 1.69 3.07 -1.90 -1.24 114.58 114.42 1cnp h GLU 72 Ca 0.13 0.04 0.28 0.00 -0.50 0.00 0.00 59.36 59.30 1cnp h GLU 72 Cb 0.49 0.12 -0.14 0.00 -0.84 0.00 0.00 28.75 28.38 1cnp h GLU 72 CO -0.39 -0.24 0.46 -0.92 -1.40 0.00 0.00 179.01 176.52 1cnp h TYR 73 N -0.80 0.74 0.11 4.33 5.03 -0.97 0.85 116.97 126.26 1cnp h TYR 73 Ca -0.06 0.04 -0.20 0.00 2.58 0.00 0.00 58.73 61.10 1cnp h TYR 73 Cb 0.54 -0.17 0.01 0.00 1.55 0.00 0.00 36.73 38.65 1cnp h TYR 73 CO 0.00 -0.15 -0.95 0.97 -1.32 0.00 0.00 178.16 176.72 1cnp h ILE 74 N 0.33 1.35 -0.72 1.81 6.09 -0.41 -3.20 117.51 122.76 1cnp h ILE 74 Ca 0.66 -2.45 0.16 0.00 -1.37 0.00 0.00 64.86 61.85 1cnp h ILE 74 Cb 1.40 3.01 -0.12 0.00 0.47 0.00 0.00 36.82 41.58 1cnp h ILE 74 CO -0.60 0.68 0.10 0.74 -3.07 0.00 0.00 178.15 175.99 1cnp h THR 75 N -0.46 0.45 -0.18 2.19 2.02 -0.31 0.20 112.91 116.82 1cnp h THR 75 Ca -0.19 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 66.97 1cnp h THR 75 Cb 1.59 0.25 -0.07 0.00 -1.74 0.00 0.00 68.15 68.18 1cnp h THR 75 CO 0.08 0.03 -0.37 0.15 0.37 0.00 0.00 175.52 175.79 1cnp h PHE 76 N 0.19 -1.03 -0.22 3.16 3.04 -0.98 0.29 116.94 121.39 1cnp h PHE 76 Ca 0.40 0.05 0.02 0.00 3.98 0.00 0.00 57.97 62.42 1cnp h PHE 76 Cb 0.70 0.48 -0.02 0.00 2.56 0.00 0.00 35.95 39.66 1cnp h PHE 76 CO -0.32 -0.43 0.07 -0.07 -2.02 0.00 0.00 178.31 175.54 1cnp h LEU 77 N -0.41 0.07 -1.27 0.59 3.38 -1.30 -0.41 115.31 115.96 1cnp h LEU 77 Ca 0.10 0.02 0.37 0.00 0.09 0.00 0.00 57.88 58.47 1cnp h LEU 77 Cb 0.58 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.22 1cnp h LEU 77 CO -0.41 0.07 0.73 1.23 0.09 0.00 0.00 178.44 180.15 1cnp h GLY 78 N 0.17 1.54 0.00 0.83 0.00 0.10 0.21 103.07 105.92 1cnp h GLY 78 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1cnp h GLY 78 CO -0.11 -0.40 -0.14 0.00 0.00 0.00 0.00 176.54 175.89 1cnp h ALA 79 N 1.69 0.00 0.08 3.60 0.00 -0.00 -3.44 119.26 121.19 1cnp h ALA 79 Ca 0.76 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 55.28 1cnp h ALA 79 Cb 2.12 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 20.05 1cnp h ALA 79 CO -0.46 0.14 -1.11 -0.07 0.00 0.00 0.00 179.25 177.75 1cnp h LEU 80 N -0.95 0.36 -2.54 0.00 -0.00 -0.55 -3.39 115.31 108.25 1cnp h LEU 80 Ca 0.00 -0.35 -0.00 0.00 -0.00 0.00 0.00 57.88 57.52 1cnp h LEU 80 Cb 0.14 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 40.69 1cnp h LEU 80 CO 0.00 1.24 -0.02 0.00 -0.00 0.00 0.00 178.44 179.66 1cnp h ALA 81 N 0.72 1.16 -0.22 1.53 0.00 -0.81 0.82 119.26 122.46 1cnp h ALA 81 Ca -0.10 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1cnp h ALA 81 Cb 1.82 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1cnp h ALA 81 CO 0.18 0.02 -0.44 0.52 0.00 0.00 0.00 179.25 179.53 1cnp h MET 82 N 0.00 0.54 0.17 0.00 2.86 -1.79 0.87 114.93 117.57 1cnp h MET 82 Ca -0.00 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1cnp h MET 82 Cb 0.11 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1cnp h MET 82 CO 0.00 0.87 -0.08 0.82 1.06 0.00 0.00 176.91 179.59 1cnp h ILE 83 N 0.44 0.95 0.01 -1.22 1.08 -1.12 -3.41 117.51 114.23 1cnp h ILE 83 Ca 0.03 -0.92 -0.27 0.00 -0.39 0.00 0.00 64.86 63.31 1cnp h ILE 83 Cb 0.94 1.48 -0.04 0.00 -3.07 0.00 0.00 36.82 36.14 1cnp h ILE 83 CO 0.08 0.20 -1.48 0.00 -0.69 0.00 0.00 178.15 176.27 1cnp n TYR 84 N -4.98 0.89 0.00 1.37 0.18 -0.80 -4.97 117.16 108.85 1cnp n TYR 84 Ca -0.09 0.37 0.00 0.00 1.88 0.00 0.00 57.90 60.07 1cnp n TYR 84 Cb 0.26 -1.09 0.00 0.00 -0.38 0.00 0.00 39.34 38.13 1cnp n TYR 84 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 1cnp n ASN 85 N -4.36 0.00 0.00 9.48 5.15 0.28 -5.06 115.26 120.74 1cnp n ASN 85 Ca -0.35 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 1cnp n ASN 85 Cb 0.73 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.98 1cnp n ASN 85 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1cnp n GLU 86 N 0.00 -3.03 -1.03 1.20 0.00 -1.07 -4.94 120.64 111.78 1cnp n GLU 86 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.09 1cnp n GLU 86 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 1cnp n GLU 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1cnp n ALA 87 N 0.00 -0.10 -4.14 4.31 0.00 -1.26 -0.83 120.51 118.49 1cnp n ALA 87 Ca 0.00 0.11 -0.37 0.00 0.00 0.00 0.00 53.44 53.18 1cnp n ALA 87 Cb 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.46 1cnp n ALA 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1cnp n LEU 88 N -1.15 -0.71 0.00 0.00 0.00 -1.26 -4.87 117.00 109.01 1cnp n LEU 88 Ca -0.07 -1.05 0.00 0.00 0.00 0.00 0.00 56.01 54.90 1cnp n LEU 88 Cb 0.27 -1.41 0.00 0.00 0.00 0.00 0.00 43.42 42.29 1cnp n LEU 88 CO 0.10 0.09 0.00 2.29 0.00 0.00 0.00 177.39 179.86 1cnp n LYS 89 N -3.62 0.00 0.00 1.96 2.85 -0.01 -4.22 118.16 115.13 1cnp n LYS 89 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 1cnp n LYS 89 Cb 0.40 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.78 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76