#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 -2.58 3.17 0.00 -1.26 -5.03 120.51 114.81 1cnp n ALA 2 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1cnp n ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1cnp n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1cnp s SER 3 N -0.00 6.49 0.15 0.00 1.04 -1.26 -4.92 113.70 115.19 1cnp s SER 3 Ca 0.00 0.09 0.13 0.00 0.48 0.00 0.00 55.95 56.65 1cnp s SER 3 Cb 0.00 -2.47 0.47 0.00 0.10 0.00 0.00 66.02 64.13 1cnp s SER 3 CO 0.00 -1.13 0.43 -2.65 0.98 0.00 0.00 173.24 170.88 1cnp n PRO 4 N 7.37 -0.00 -0.30 4.02 -0.02 -1.26 -0.55 135.00 144.26 1cnp n PRO 4 Ca 0.06 0.31 0.08 0.00 -2.02 0.00 0.00 63.50 61.93 1cnp n PRO 4 Cb 0.48 -0.70 0.24 0.00 -0.02 0.00 0.00 33.50 33.51 1cnp n PRO 4 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1cnp h LEU 5 N 0.00 0.51 0.08 2.45 4.07 -1.98 0.15 115.31 120.59 1cnp h LEU 5 Ca 0.26 0.10 0.02 0.00 0.08 0.00 0.00 57.88 58.34 1cnp h LEU 5 Cb 1.01 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.74 1cnp h LEU 5 CO -0.02 0.19 -0.25 -2.24 -1.08 0.00 0.00 178.44 175.04 1cnp h ASP 6 N 0.60 -0.72 -0.57 -0.43 2.03 -1.19 0.13 116.42 116.27 1cnp h ASP 6 Ca 0.48 0.09 -0.00 0.00 -0.73 0.00 0.00 57.03 56.86 1cnp h ASP 6 Cb 0.71 0.28 -0.03 0.00 -0.83 0.00 0.00 39.33 39.46 1cnp h ASP 6 CO -0.38 -0.33 0.34 1.56 -1.03 0.00 0.00 179.24 179.40 1cnp h GLN 7 N -0.43 0.78 -0.37 4.15 4.20 -1.66 0.11 115.11 121.89 1cnp h GLN 7 Ca 0.04 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1cnp h GLN 7 Cb 0.48 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1cnp h GLN 7 CO -0.17 0.57 0.21 0.00 -0.67 0.00 0.00 178.83 178.77 1cnp h ALA 8 N 1.17 0.47 0.32 3.87 0.00 -0.34 0.17 119.26 124.93 1cnp h ALA 8 Ca 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1cnp h ALA 8 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1cnp h ALA 8 CO -0.04 -0.01 -0.25 0.82 0.00 0.00 0.00 179.25 179.77 1cnp h ILE 9 N 0.47 0.47 -0.91 0.00 2.04 -0.53 0.25 117.51 119.30 1cnp h ILE 9 Ca 0.13 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.25 1cnp h ILE 9 Cb 0.04 0.47 -0.15 0.00 -0.74 0.00 0.00 36.82 36.45 1cnp h ILE 9 CO -0.02 0.00 0.28 1.23 0.00 0.00 0.00 178.15 179.64 1cnp h GLY 10 N -0.58 1.48 0.00 5.37 0.00 -0.25 0.54 103.07 109.64 1cnp h GLY 10 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1cnp h GLY 10 CO -0.01 -0.41 -0.05 -2.00 0.00 0.00 0.00 176.54 174.08 1cnp h LEU 11 N 0.20 0.00 0.14 3.11 5.85 -0.57 -3.26 115.31 120.79 1cnp h LEU 11 Ca 0.59 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.30 1cnp h LEU 11 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1cnp h LEU 11 CO -0.67 0.24 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.53 1cnp h LEU 12 N -0.43 -0.16 -0.26 2.25 3.38 -0.16 0.45 115.31 120.38 1cnp h LEU 12 Ca 0.00 -0.15 -0.19 0.00 0.09 0.00 0.00 57.88 57.63 1cnp h LEU 12 Cb 0.05 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1cnp h LEU 12 CO 0.00 0.05 -0.88 0.40 0.09 0.00 0.00 178.44 178.10 1cnp h ILE 13 N -0.37 1.58 0.00 1.22 2.04 -1.10 -3.19 117.51 117.68 1cnp h ILE 13 Ca -0.02 -2.87 0.00 0.00 1.00 0.00 0.00 64.86 62.97 1cnp h ILE 13 Cb 0.30 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1cnp h ILE 13 CO 0.03 0.83 0.00 0.61 0.00 0.00 0.00 178.15 179.62 1cnp n GLY 14 N 0.96 -2.89 0.38 5.37 0.00 -0.41 -2.52 105.19 106.07 1cnp n GLY 14 Ca -0.02 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 1cnp n GLY 14 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1cnp n ILE 15 N -0.47 -0.58 -0.23 -0.61 -0.00 0.16 0.83 119.36 118.46 1cnp n ILE 15 Ca 0.00 2.23 -0.04 0.00 -0.00 0.00 0.00 62.75 64.94 1cnp n ILE 15 Cb 0.00 -2.83 -0.03 0.00 -0.00 0.00 0.00 39.64 36.77 1cnp n ILE 15 CO 0.00 0.00 0.00 0.33 -0.00 0.00 0.00 176.55 176.88 1cnp n PHE 16 N -5.25 -0.16 1.12 1.39 7.35 -1.20 -0.56 117.46 120.13 1cnp n PHE 16 Ca 0.05 0.69 0.12 0.00 -0.76 0.00 0.00 57.45 57.55 1cnp n PHE 16 Cb 0.30 -0.60 0.17 0.00 0.35 0.00 0.00 39.48 39.70 1cnp n PHE 16 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 1cnp n HIS 17 N -4.74 0.00 0.12 -5.13 8.25 0.70 -4.31 115.22 110.12 1cnp n HIS 17 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.36 1cnp n HIS 17 Cb 0.17 -0.05 -0.08 0.00 1.12 0.00 0.00 29.99 31.14 1cnp n HIS 17 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1cnp h LYS 18 N 1.90 -0.31 -7.08 -0.41 3.11 0.30 -2.36 116.57 111.71 1cnp h LYS 18 Ca 0.00 0.02 -0.51 0.00 -2.81 0.00 0.00 60.65 57.35 1cnp h LYS 18 Cb 0.64 0.07 0.08 0.00 -1.00 0.00 0.00 32.23 32.02 1cnp h LYS 18 CO 0.00 0.03 0.44 0.71 -2.81 0.00 0.00 179.45 177.82 1cnp s TYR 19 N -4.54 2.63 0.00 1.91 1.51 -0.09 -0.37 117.35 118.39 1cnp s TYR 19 Ca -0.14 1.54 0.00 0.00 -1.01 0.00 0.00 57.07 57.45 1cnp s TYR 19 Cb 0.02 -3.34 0.00 0.00 -0.11 0.00 0.00 41.96 38.53 1cnp s TYR 19 CO 0.56 -1.70 0.00 0.43 -1.11 0.00 0.00 175.55 173.73 1cnp n SER 20 N -1.30 0.00 -0.09 2.29 7.64 -1.26 -4.55 113.62 116.34 1cnp n SER 20 Ca 0.12 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.94 1cnp n SER 20 Cb 0.50 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.72 1cnp n SER 20 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1cnp h GLY 21 N 0.00 0.36 -0.25 0.23 0.00 -0.83 0.14 103.07 102.72 1cnp h GLY 21 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.37 1cnp h GLY 21 CO 0.00 -0.05 -0.33 1.70 0.00 0.00 0.00 176.54 177.85 1cnp h LYS 22 N 0.13 -0.22 -0.45 4.80 3.64 -0.95 -2.83 116.57 120.69 1cnp h LYS 22 Ca 0.16 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 1cnp h LYS 22 Cb 0.21 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1cnp h LYS 22 CO -0.25 -0.15 -0.09 1.05 -2.27 0.00 0.00 179.45 177.75 1cnp h GLU 23 N -0.23 0.85 0.00 1.90 9.09 -1.83 -3.47 114.58 120.89 1cnp h GLU 23 Ca 0.04 -0.32 0.00 0.00 0.05 0.00 0.00 59.36 59.14 1cnp h GLU 23 Cb 0.35 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 1cnp h GLU 23 CO -0.36 0.95 0.00 0.41 0.05 0.00 0.00 179.01 180.06 1cnp n GLY 24 N -0.24 2.04 0.15 1.06 0.00 0.48 -5.10 105.19 103.59 1cnp n GLY 24 Ca -0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 -0.96 -4.56 1.61 2.03 -1.14 -4.65 116.55 108.89 1cnp n ASP 25 Ca 0.00 0.17 -0.37 0.00 0.52 0.00 0.00 54.79 55.10 1cnp n ASP 25 Cb 0.00 0.43 -0.03 0.00 -0.72 0.00 0.00 41.12 40.79 1cnp n ASP 25 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1cnp s LYS 26 N -4.42 3.12 0.19 -0.67 0.00 -1.26 -2.73 119.74 113.97 1cnp s LYS 26 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 55.97 55.52 1cnp s LYS 26 Cb 0.00 -4.88 -0.01 0.00 0.00 0.00 0.00 37.83 32.93 1cnp s LYS 26 CO 0.00 -2.54 0.14 -2.39 0.00 0.00 0.00 175.35 170.56 1cnp n HIS 27 N 10.71 -0.32 -1.92 1.78 1.44 -1.26 -5.03 115.22 120.63 1cnp n HIS 27 Ca 0.26 -1.51 -0.35 0.00 -2.01 0.00 0.00 57.72 54.11 1cnp n HIS 27 Cb 0.50 0.12 0.04 0.00 0.12 0.00 0.00 29.99 30.77 1cnp n HIS 27 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1cnp s THR 28 N -2.66 2.85 -0.45 0.61 -4.23 -1.26 -4.68 115.64 105.83 1cnp s THR 28 Ca 0.19 0.48 -0.28 0.00 -1.18 0.00 0.00 61.69 60.90 1cnp s THR 28 Cb 0.01 -3.10 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 1cnp s THR 28 CO 0.14 -0.17 1.72 -0.76 -0.54 0.00 0.00 174.62 175.01 1cnp s LEU 29 N -4.37 3.44 -1.31 4.79 1.43 0.72 -4.83 118.68 118.56 1cnp s LEU 29 Ca 0.73 0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 54.56 1cnp s LEU 29 Cb -0.26 -3.18 -0.06 0.00 0.03 0.00 0.00 46.19 42.72 1cnp s LEU 29 CO 0.35 -1.87 2.46 -1.54 0.23 0.00 0.00 176.35 175.99 1cnp n SER 30 N 10.75 5.96 0.00 2.29 3.41 -1.26 -1.31 113.62 133.46 1cnp n SER 30 Ca 0.20 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 1cnp n SER 30 Cb 0.49 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 1cnp n SER 30 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1cnp n LYS 31 N 4.72 0.00 -0.29 4.33 2.85 -0.45 -4.09 118.16 125.23 1cnp n LYS 31 Ca 0.61 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.94 1cnp n LYS 31 Cb 0.26 0.00 0.22 0.00 -0.65 0.00 0.00 35.03 34.87 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 0.54 -0.92 -1.58 2.10 -1.88 0.80 116.57 115.64 1cnp h LYS 32 Ca 0.00 -0.03 0.12 0.00 -2.00 0.00 0.00 60.65 58.74 1cnp h LYS 32 Cb 0.00 -0.12 -0.14 0.00 -0.90 0.00 0.00 32.23 31.07 1cnp h LYS 32 CO 0.00 0.36 -0.47 0.93 -2.00 0.00 0.00 179.45 178.26 1cnp h GLU 33 N 0.56 -0.04 -0.32 0.07 3.07 -1.90 0.81 114.58 116.82 1cnp h GLU 33 Ca 0.46 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.32 1cnp h GLU 33 Cb 0.69 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.60 1cnp h GLU 33 CO -0.39 -0.03 0.19 1.25 -1.40 0.00 0.00 179.01 178.63 1cnp h LEU 34 N -0.04 0.39 -1.09 1.33 7.12 -1.17 0.35 115.31 122.20 1cnp h LEU 34 Ca 0.25 -0.06 -0.04 0.00 0.13 0.00 0.00 57.88 58.15 1cnp h LEU 34 Cb 0.52 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.53 1cnp h LEU 34 CO -0.92 0.34 0.19 0.11 -0.13 0.00 0.00 178.44 178.04 1cnp h LYS 35 N 0.41 0.84 -0.23 1.25 1.79 -1.16 0.29 116.57 119.76 1cnp h LYS 35 Ca 0.11 -0.14 -0.11 0.00 -2.18 0.00 0.00 60.65 58.33 1cnp h LYS 35 Cb 0.03 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 1cnp h LYS 35 CO -0.02 0.71 -0.32 1.49 -1.08 0.00 0.00 179.45 180.23 1cnp h GLU 36 N 0.82 0.47 0.28 3.15 4.81 0.08 -3.35 114.58 120.84 1cnp h GLU 36 Ca 0.19 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1cnp h GLU 36 Cb 0.21 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1cnp h GLU 36 CO -0.01 0.74 -0.13 1.25 -0.73 0.00 0.00 179.01 180.13 1cnp h LEU 37 N 0.41 -0.32 -1.53 1.64 6.46 0.53 -3.38 115.31 119.13 1cnp h LEU 37 Ca 0.05 0.01 0.35 0.00 -0.12 0.00 0.00 57.88 58.17 1cnp h LEU 37 Cb 0.76 0.08 -0.09 0.00 -0.73 0.00 0.00 40.66 40.68 1cnp h LEU 37 CO 0.06 0.08 0.79 -0.29 -0.62 0.00 0.00 178.44 178.47 1cnp h ILE 38 N -0.99 0.35 0.50 4.05 2.10 -1.11 0.82 117.51 123.23 1cnp h ILE 38 Ca -0.04 -0.07 -0.02 0.00 1.08 0.00 0.00 64.86 65.81 1cnp h ILE 38 Cb 0.29 0.13 -0.01 0.00 -1.09 0.00 0.00 36.82 36.14 1cnp h ILE 38 CO 0.06 0.04 -0.31 1.56 -1.08 0.00 0.00 178.15 178.42 1cnp h GLN 39 N 0.20 -0.75 0.00 2.19 4.20 -1.73 -3.44 115.11 115.79 1cnp h GLN 39 Ca 0.67 0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.43 1cnp h GLN 39 Cb 2.09 0.17 0.00 0.00 0.30 0.00 0.00 27.48 30.04 1cnp h GLN 39 CO -0.27 -0.50 0.00 0.36 -0.67 0.00 0.00 178.83 177.76 1cnp n LYS 40 N -5.45 0.00 -0.33 1.46 2.85 0.27 -4.85 118.16 112.12 1cnp n LYS 40 Ca -0.12 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.17 1cnp n LYS 40 Cb 0.34 -0.04 0.20 0.00 -0.65 0.00 0.00 35.03 34.89 1cnp n LYS 40 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1cnp h GLU 41 N 0.00 1.09 -0.96 -1.58 5.08 -1.84 -3.07 114.58 113.29 1cnp h GLU 41 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1cnp h GLU 41 Cb 0.00 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.00 1cnp h GLU 41 CO 0.00 0.72 0.00 1.47 -1.00 0.00 0.00 179.01 180.20 1cnp n LEU 42 N -4.48 1.41 0.00 1.33 -0.00 -1.26 -4.89 117.00 109.11 1cnp n LEU 42 Ca 0.14 -0.71 0.00 0.00 -0.00 0.00 0.00 56.01 55.44 1cnp n LEU 42 Cb 0.16 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.20 1cnp n LEU 42 CO 0.33 0.27 0.00 0.41 -0.00 0.00 0.00 177.39 178.40 1cnp n THR 43 N 0.33 0.00 0.00 1.47 -1.04 -1.16 -4.89 114.28 108.99 1cnp n THR 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1cnp n THR 43 Cb 0.27 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 1cnp n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cnp n ILE 44 N 0.00 0.00 -0.17 12.58 0.13 -1.26 -4.60 119.36 126.03 1cnp n ILE 44 Ca 0.00 0.00 0.20 0.00 -1.10 0.00 0.00 62.75 61.85 1cnp n ILE 44 Cb 0.00 0.00 0.58 0.00 -0.84 0.00 0.00 39.64 39.38 1cnp n ILE 44 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 1cnp h GLY 45 N 0.00 0.54 1.13 4.50 0.00 -1.90 0.16 103.07 107.50 1cnp h GLY 45 Ca 0.00 -0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.31 1cnp h GLY 45 CO 0.00 0.01 0.33 1.48 0.00 0.00 0.00 176.54 178.37 1cnp h SER 46 N 0.27 0.00 0.00 0.19 4.64 -1.84 0.59 113.55 117.40 1cnp h SER 46 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1cnp h SER 46 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1cnp h SER 46 CO -0.10 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 177.03 1cnp n LYS 47 N -3.96 0.60 -3.62 4.77 4.81 0.57 -4.71 118.16 116.63 1cnp n LYS 47 Ca 0.06 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.21 1cnp n LYS 47 Cb 0.50 -1.20 0.05 0.00 0.02 0.00 0.00 35.03 34.40 1cnp n LYS 47 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1cnp n LEU 48 N 0.85 -3.22 0.00 3.14 4.77 -0.74 -2.12 117.00 119.67 1cnp n LEU 48 Ca 0.00 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1cnp n LEU 48 Cb 0.30 -2.50 0.00 0.00 -2.33 0.00 0.00 43.42 38.89 1cnp n LEU 48 CO 0.00 0.41 0.00 1.67 -1.33 0.00 0.00 177.39 178.14 1cnp n GLN 49 N -4.04 0.00 0.00 3.23 -0.06 0.12 -4.76 117.38 111.88 1cnp n GLN 49 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.91 1cnp n GLN 49 Cb 0.59 -0.04 0.00 0.00 -4.06 0.00 0.00 30.24 26.73 1cnp n GLN 49 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1cnp n ASP 50 N 1.76 0.00 -4.23 1.69 2.03 -0.90 -4.40 116.55 112.50 1cnp n ASP 50 Ca 0.00 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.97 1cnp n ASP 50 Cb 0.00 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 1cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cnp s ALA 51 N -2.72 2.63 0.31 -1.67 0.00 -1.26 -5.03 121.76 114.03 1cnp s ALA 51 Ca 0.00 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1cnp s ALA 51 Cb 0.00 -1.52 0.51 0.00 0.00 0.00 0.00 23.12 22.11 1cnp s ALA 51 CO 0.00 -0.45 1.89 0.93 0.00 0.00 0.00 175.76 178.13 1cnp h GLU 52 N 8.04 0.77 -0.91 0.00 4.39 -1.98 0.47 114.58 125.36 1cnp h GLU 52 Ca -0.42 -0.12 0.16 0.00 0.34 0.00 0.00 59.36 59.31 1cnp h GLU 52 Cb 1.15 -0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 29.59 1cnp h GLU 52 CO 0.61 0.65 0.59 0.97 -1.16 0.00 0.00 179.01 180.67 1cnp h ILE 53 N 0.76 0.80 0.11 3.13 2.10 -1.99 0.95 117.51 123.37 1cnp h ILE 53 Ca 0.18 -0.23 -0.27 0.00 1.08 0.00 0.00 64.86 65.62 1cnp h ILE 53 Cb 0.18 0.06 -0.00 0.00 -1.09 0.00 0.00 36.82 35.97 1cnp h ILE 53 CO -0.01 0.12 -1.25 0.58 -1.08 0.00 0.00 178.15 176.51 1cnp h VAL 54 N 0.68 1.48 -0.85 2.19 2.07 -0.66 -3.25 116.25 117.91 1cnp h VAL 54 Ca 0.47 -3.08 0.12 0.00 0.82 0.00 0.00 66.70 65.03 1cnp h VAL 54 Cb 0.79 2.91 -0.08 0.00 -1.52 0.00 0.00 31.29 33.38 1cnp h VAL 54 CO -0.23 0.89 0.47 0.50 0.02 0.00 0.00 177.57 179.23 1cnp h LYS 55 N 0.06 0.72 0.00 1.57 3.64 0.67 0.28 116.57 123.51 1cnp h LYS 55 Ca -0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1cnp h LYS 55 Cb 1.95 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 1cnp h LYS 55 CO 0.19 0.48 0.00 1.28 -2.27 0.00 0.00 179.45 179.13 1cnp n LEU 56 N -4.78 0.43 -0.10 5.20 4.32 0.20 -0.59 117.00 121.67 1cnp n LEU 56 Ca 0.16 0.69 -0.23 0.00 -0.02 0.00 0.00 56.01 56.60 1cnp n LEU 56 Cb 0.35 -0.73 -0.11 0.00 -1.62 0.00 0.00 43.42 41.31 1cnp n LEU 56 CO 0.25 -0.79 -0.65 0.23 -1.22 0.00 0.00 177.39 175.20 1cnp n MET 57 N -2.06 0.58 0.00 3.23 2.81 0.75 -4.57 117.12 117.86 1cnp n MET 57 Ca -0.01 0.53 0.10 0.00 -1.81 0.00 0.00 57.70 56.51 1cnp n MET 57 Cb 0.05 -1.72 0.48 0.00 -0.71 0.00 0.00 33.22 31.33 1cnp n MET 57 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1cnp n ASP 58 N -4.36 0.00 -1.19 7.83 8.00 0.18 -2.76 116.55 124.26 1cnp n ASP 58 Ca -0.35 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.26 1cnp n ASP 58 Cb 0.72 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1cnp n ASP 58 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1cnp n ASP 59 N -1.33 1.83 0.00 -2.24 5.75 0.24 -4.52 116.55 116.28 1cnp n ASP 59 Ca 0.08 -1.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.67 1cnp n ASP 59 Cb 0.17 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1cnp n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cnp n LEU 60 N 1.00 0.00 -0.21 -2.12 -0.00 -1.11 -1.34 117.00 113.22 1cnp n LEU 60 Ca 0.00 0.29 0.31 0.00 -0.00 0.00 0.00 56.01 56.61 1cnp n LEU 60 Cb 0.26 -0.29 0.69 0.00 -0.00 0.00 0.00 43.42 44.08 1cnp n LEU 60 CO 0.00 -0.29 1.28 -2.24 -0.00 0.00 0.00 177.39 176.14 1cnp h ASP 61 N 0.00 0.00 -0.52 1.45 3.04 -1.90 0.35 116.42 118.85 1cnp h ASP 61 Ca 0.00 0.00 0.16 0.00 -3.24 0.00 0.00 57.03 53.95 1cnp h ASP 61 Cb 0.10 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 38.29 1cnp h ASP 61 CO 0.00 0.00 0.08 -1.14 -2.04 0.00 0.00 179.24 176.14 1cnp n ARG 62 N -3.85 -0.04 -0.29 4.15 0.63 -0.45 -1.69 116.66 115.12 1cnp n ARG 62 Ca 0.21 0.76 0.06 0.00 -0.92 0.00 0.00 57.85 57.96 1cnp n ARG 62 Cb 1.17 -1.25 0.16 0.00 0.45 0.00 0.00 32.46 33.00 1cnp n ARG 62 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 1cnp h ASN 63 N 0.00 -0.57 -3.23 6.15 -1.24 -1.21 -3.29 115.58 112.19 1cnp h ASN 63 Ca 0.35 0.24 -0.62 0.00 0.71 0.00 0.00 56.30 56.98 1cnp h ASN 63 Cb 0.78 0.45 -0.41 0.00 0.73 0.00 0.00 38.32 39.88 1cnp h ASN 63 CO -0.46 -0.26 -0.68 -0.75 -1.29 0.00 0.00 177.43 173.98 1cnp s LYS 64 N -6.15 1.89 0.00 6.67 2.20 -0.68 -4.96 119.74 118.71 1cnp s LYS 64 Ca -0.14 -2.77 0.00 0.00 -0.36 0.00 0.00 55.97 52.70 1cnp s LYS 64 Cb 0.24 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.72 1cnp s LYS 64 CO 0.76 -1.26 0.00 -0.40 -0.36 0.00 0.00 175.35 174.10 1cnp n ASP 65 N 2.59 0.00 0.00 1.43 5.68 -1.24 -4.02 116.55 120.99 1cnp n ASP 65 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1cnp n ASP 65 Cb 0.37 -0.83 0.00 0.00 -1.14 0.00 0.00 41.12 39.52 1cnp n ASP 65 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cnp n GLN 66 N -1.27 0.00 -2.53 0.11 6.02 -1.24 -4.91 117.38 113.55 1cnp n GLN 66 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 1cnp n GLN 66 Cb 0.00 -1.86 -0.01 0.00 1.02 0.00 0.00 30.24 29.38 1cnp n GLN 66 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1cnp s GLU 67 N -0.01 3.77 -0.04 -1.09 8.01 -1.26 -1.34 118.70 126.74 1cnp s GLU 67 Ca 0.00 -1.70 -0.13 0.00 0.01 0.00 0.00 54.97 53.15 1cnp s GLU 67 Cb 0.00 -5.47 -0.05 0.00 -4.31 0.00 0.00 34.13 24.30 1cnp s GLU 67 CO 0.00 -2.38 0.34 0.14 0.01 0.00 0.00 175.26 173.37 1cnp s VAL 68 N 4.97 5.16 0.37 2.63 -7.23 -0.43 -4.87 120.40 121.00 1cnp s VAL 68 Ca 0.53 0.68 0.05 0.00 -1.81 0.00 0.00 61.98 61.44 1cnp s VAL 68 Cb 0.03 -3.64 0.06 0.00 0.56 0.00 0.00 36.38 33.39 1cnp s VAL 68 CO 0.04 0.56 0.51 -0.46 -0.31 0.00 0.00 175.10 175.44 1cnp n ASN 69 N 2.08 1.22 -0.31 4.85 0.23 -1.26 -0.20 115.26 121.87 1cnp n ASN 69 Ca -0.15 -1.90 0.14 0.00 -0.53 0.00 0.00 54.58 52.14 1cnp n ASN 69 Cb 0.53 -0.28 0.37 0.00 -2.08 0.00 0.00 39.78 38.32 1cnp n ASN 69 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1cnp h PHE 70 N -0.03 0.90 0.24 -2.53 3.04 -1.98 -1.43 116.94 115.15 1cnp h PHE 70 Ca -0.17 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.80 1cnp h PHE 70 Cb 0.76 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 1cnp h PHE 70 CO 0.00 0.25 -0.23 0.37 -2.02 0.00 0.00 178.31 176.68 1cnp h GLN 71 N 0.69 -0.45 -0.61 1.11 -0.00 -1.99 0.15 115.11 114.01 1cnp h GLN 71 Ca 0.52 0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 59.10 1cnp h GLN 71 Cb 0.89 0.10 -0.02 0.00 0.00 0.00 0.00 27.48 28.45 1cnp h GLN 71 CO -0.28 -0.30 -0.01 0.93 0.00 0.00 0.00 178.83 179.17 1cnp h GLU 72 N -0.46 1.08 -0.33 1.69 3.07 -1.86 0.03 114.58 117.80 1cnp h GLU 72 Ca -0.03 -0.35 0.04 0.00 -0.50 0.00 0.00 59.36 58.52 1cnp h GLU 72 Cb 0.40 -0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 28.14 1cnp h GLU 72 CO -0.02 1.06 -0.51 -0.92 -1.40 0.00 0.00 179.01 177.22 1cnp h TYR 73 N 0.99 -1.54 -0.14 4.33 3.20 -1.25 0.18 116.97 122.73 1cnp h TYR 73 Ca 0.17 0.07 -0.16 0.00 3.14 0.00 0.00 58.73 61.96 1cnp h TYR 73 Cb 0.57 0.72 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 1cnp h TYR 73 CO 0.04 -0.45 -0.57 0.97 -1.64 0.00 0.00 178.16 176.50 1cnp h ILE 74 N -0.39 1.34 -0.47 1.81 6.09 -0.37 0.28 117.51 125.80 1cnp h ILE 74 Ca 0.06 -1.86 -0.00 0.00 -1.37 0.00 0.00 64.86 61.69 1cnp h ILE 74 Cb 0.55 1.85 -0.02 0.00 0.47 0.00 0.00 36.82 39.67 1cnp h ILE 74 CO -0.52 0.57 0.28 0.74 -3.07 0.00 0.00 178.15 176.15 1cnp h THR 75 N 0.35 1.14 0.50 2.19 2.02 -0.75 0.11 112.91 118.46 1cnp h THR 75 Ca 0.00 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1cnp h THR 75 Cb 1.11 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1cnp h THR 75 CO 0.10 0.14 -0.26 0.15 0.37 0.00 0.00 175.52 176.02 1cnp h PHE 76 N 0.62 -0.68 -0.23 3.16 3.04 -0.36 0.14 116.94 122.63 1cnp h PHE 76 Ca 0.17 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.16 1cnp h PHE 76 Cb -0.01 0.23 -0.07 0.00 2.56 0.00 0.00 35.95 38.66 1cnp h PHE 76 CO -0.03 -0.42 -0.36 -0.07 -2.02 0.00 0.00 178.31 175.42 1cnp h LEU 77 N -0.70 -1.14 0.08 0.59 3.38 -0.75 -0.05 115.31 116.72 1cnp h LEU 77 Ca -0.06 0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1cnp h LEU 77 Cb 0.55 0.49 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1cnp h LEU 77 CO 0.09 -0.37 -0.20 1.23 0.09 0.00 0.00 178.44 179.28 1cnp h GLY 78 N -0.38 -0.35 0.81 0.83 0.00 -0.67 0.18 103.07 103.50 1cnp h GLY 78 Ca 0.11 0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 1cnp h GLY 78 CO -0.43 -0.19 -0.32 0.00 0.00 0.00 0.00 176.54 175.60 1cnp h ALA 79 N 0.46 -0.78 -0.46 3.60 0.00 -0.27 -0.34 119.26 121.47 1cnp h ALA 79 Ca 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1cnp h ALA 79 Cb 0.41 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1cnp h ALA 79 CO -0.13 -0.96 0.15 -0.07 0.00 0.00 0.00 179.25 178.24 1cnp h LEU 80 N -0.77 0.66 -0.76 0.00 3.38 -0.98 -2.75 115.31 114.09 1cnp h LEU 80 Ca -0.05 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 57.80 1cnp h LEU 80 Cb 0.64 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 1cnp h LEU 80 CO 0.03 0.69 0.42 0.00 0.09 0.00 0.00 178.44 179.67 1cnp h ALA 81 N 1.00 1.06 -0.32 1.53 0.00 -0.43 0.24 119.26 122.33 1cnp h ALA 81 Ca 0.15 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1cnp h ALA 81 Cb 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1cnp h ALA 81 CO -0.01 0.06 0.28 1.98 0.00 0.00 0.00 179.25 181.57 1cnp h MET 82 N 0.73 0.00 0.00 0.00 -1.53 -0.75 0.18 114.93 113.56 1cnp h MET 82 Ca 0.36 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.62 1cnp h MET 82 Cb 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.36 1cnp h MET 82 CO -0.23 0.00 0.00 -0.89 0.14 0.00 0.00 176.91 175.93 1cnp n ILE 83 N -4.06 0.00 -0.23 1.77 -0.00 0.11 -4.49 119.36 112.46 1cnp n ILE 83 Ca 0.05 0.37 -0.02 0.00 -0.00 0.00 0.00 62.75 63.15 1cnp n ILE 83 Cb 0.45 -1.17 0.09 0.00 -0.00 0.00 0.00 39.64 39.01 1cnp n ILE 83 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.55 176.65 1cnp h TYR 84 N 0.00 0.67 0.00 1.39 -0.00 -0.40 -1.47 116.97 117.16 1cnp h TYR 84 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.75 1cnp h TYR 84 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 36.73 36.53 1cnp h TYR 84 CO 0.00 0.32 0.00 0.09 -0.00 0.00 0.00 178.16 178.57 1cnp n ASN 85 N -4.79 2.95 0.00 0.10 4.13 0.59 -3.87 115.26 114.37 1cnp n ASN 85 Ca 0.08 -1.81 0.00 0.00 1.68 0.00 0.00 54.58 54.53 1cnp n ASN 85 Cb 0.16 -0.53 0.00 0.00 -1.54 0.00 0.00 39.78 37.88 1cnp n ASN 85 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1cnp n GLU 86 N 0.75 0.00 -0.27 3.52 -0.58 -0.55 -0.80 120.64 122.71 1cnp n GLU 86 Ca 0.00 0.00 0.24 0.00 -0.42 0.00 0.00 57.16 56.98 1cnp n GLU 86 Cb 0.43 0.00 0.42 0.00 -0.57 0.00 0.00 31.44 31.72 1cnp n GLU 86 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1cnp n ALA 87 N -3.32 0.80 -0.22 0.62 0.00 -1.26 -0.68 120.51 116.44 1cnp n ALA 87 Ca 0.00 0.61 0.03 0.00 0.00 0.00 0.00 53.44 54.08 1cnp n ALA 87 Cb 0.00 -0.68 0.08 0.00 0.00 0.00 0.00 19.45 18.85 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 -4.19 -0.24 -3.60 0.00 0.00 0.02 -1.52 117.00 107.48 1cnp n LEU 88 Ca 0.26 1.04 -0.41 0.00 0.00 0.00 0.00 56.01 56.90 1cnp n LEU 88 Cb 0.94 -0.31 -0.01 0.00 0.00 0.00 0.00 43.42 44.05 1cnp n LEU 88 CO 0.07 -0.99 2.86 0.29 0.00 0.00 0.00 177.39 179.62 1cnp n LYS 89 N -4.98 3.25 -0.44 1.96 4.01 0.14 -5.17 118.16 116.93 1cnp n LYS 89 Ca 0.09 -2.57 0.00 0.00 -0.51 0.00 0.00 58.31 55.32 1cnp n LYS 89 Cb 0.30 -3.08 0.00 0.00 -0.51 0.00 0.00 35.03 31.73 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70