#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 -1.44 -5.12 0.00 -1.26 -5.02 120.51 107.66 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 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.08 4.01 0.39 0.00 0.01 -1.26 -4.61 113.70 111.15 1cnp s SER 3 Ca 0.00 1.30 -0.27 0.00 1.31 0.00 0.00 55.95 58.30 1cnp s SER 3 Cb 0.00 -2.00 -0.11 0.00 0.21 0.00 0.00 66.02 64.12 1cnp s SER 3 CO 0.00 -2.27 1.33 -0.81 0.41 0.00 0.00 173.24 171.89 1cnp n PRO 4 N -3.63 2.16 0.00 12.44 -0.04 -1.26 -0.44 135.00 144.23 1cnp n PRO 4 Ca 0.07 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 1cnp n PRO 4 Cb 0.56 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1cnp n PRO 4 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1cnp n LEU 5 N 0.43 0.00 -0.31 1.53 0.00 -1.26 -4.51 117.00 112.88 1cnp n LEU 5 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 56.01 56.16 1cnp n LEU 5 Cb 0.38 0.00 0.23 0.00 0.00 0.00 0.00 43.42 44.03 1cnp n LEU 5 CO 0.61 0.00 0.81 -0.78 0.00 0.00 0.00 177.39 178.03 1cnp h ASP 6 N 0.00 -0.43 -0.56 1.96 3.58 -1.90 0.51 116.42 119.58 1cnp h ASP 6 Ca 0.00 0.24 0.23 0.00 0.42 0.00 0.00 57.03 57.93 1cnp h ASP 6 Cb 0.00 0.43 -0.10 0.00 1.72 0.00 0.00 39.33 41.38 1cnp h ASP 6 CO 0.00 -0.27 0.30 0.00 -2.88 0.00 0.00 179.24 176.38 1cnp n GLN 7 N -5.43 -0.03 0.25 0.28 6.02 0.42 0.23 117.38 119.11 1cnp n GLN 7 Ca 0.19 0.78 -0.16 0.00 -0.01 0.00 0.00 57.00 57.80 1cnp n GLN 7 Cb 0.63 -1.39 -0.08 0.00 1.02 0.00 0.00 30.24 30.41 1cnp n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cnp h ALA 8 N 1.12 -0.58 -0.27 -1.58 0.00 -1.19 0.31 119.26 117.07 1cnp h ALA 8 Ca 0.47 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1cnp h ALA 8 Cb 1.25 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1cnp h ALA 8 CO -0.43 -0.83 0.16 0.82 0.00 0.00 0.00 179.25 178.97 1cnp h ILE 9 N -0.58 1.10 -0.82 0.00 2.04 -0.39 -1.15 117.51 117.71 1cnp h ILE 9 Ca -0.06 -0.24 0.19 0.00 1.00 0.00 0.00 64.86 65.76 1cnp h ILE 9 Cb 0.45 0.77 -0.15 0.00 -0.74 0.00 0.00 36.82 37.16 1cnp h ILE 9 CO 0.09 0.10 -0.01 1.23 0.00 0.00 0.00 178.15 179.56 1cnp h GLY 10 N 0.34 0.92 0.69 5.37 0.00 -0.66 0.60 103.07 110.33 1cnp h GLY 10 Ca 0.10 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1cnp h GLY 10 CO -0.02 -0.34 -0.07 -2.00 0.00 0.00 0.00 176.54 174.12 1cnp h LEU 11 N 0.08 -0.15 -0.50 3.11 7.12 0.37 0.35 115.31 125.69 1cnp h LEU 11 Ca 0.46 -0.25 0.09 0.00 0.13 0.00 0.00 57.88 58.31 1cnp h LEU 11 Cb 0.83 0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 40.92 1cnp h LEU 11 CO -0.74 0.17 0.07 -0.07 -0.13 0.00 0.00 178.44 177.74 1cnp h LEU 12 N -0.49 -0.06 -0.39 2.25 4.07 -0.32 0.11 115.31 120.48 1cnp h LEU 12 Ca -0.02 0.10 -0.05 0.00 0.08 0.00 0.00 57.88 57.99 1cnp h LEU 12 Cb 0.39 0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 1cnp h LEU 12 CO 0.03 -0.00 0.06 0.40 -1.08 0.00 0.00 178.44 177.85 1cnp h ILE 13 N 0.20 1.24 -0.28 1.22 2.04 -0.91 -2.86 117.51 118.16 1cnp h ILE 13 Ca 0.25 -0.86 0.07 0.00 1.00 0.00 0.00 64.86 65.32 1cnp h ILE 13 Cb 0.35 1.06 -0.08 0.00 -0.74 0.00 0.00 36.82 37.41 1cnp h ILE 13 CO -0.35 0.29 -0.27 1.23 0.00 0.00 0.00 178.15 179.05 1cnp h GLY 14 N 0.48 -0.20 0.76 5.37 0.00 0.13 0.16 103.07 109.77 1cnp h GLY 14 Ca 0.12 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.75 1cnp h GLY 14 CO 0.01 -0.21 -0.45 -2.22 0.00 0.00 0.00 176.54 173.67 1cnp h ILE 15 N -0.26 0.00 -0.94 2.60 1.08 -0.89 0.47 117.51 119.57 1cnp h ILE 15 Ca 0.15 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.71 1cnp h ILE 15 Cb 0.49 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.12 1cnp h ILE 15 CO -0.43 0.00 -0.53 0.33 -0.69 0.00 0.00 178.15 176.83 1cnp n PHE 16 N -5.29 -0.36 0.76 1.37 7.35 -1.06 -2.21 117.46 118.02 1cnp n PHE 16 Ca -0.14 1.17 0.12 0.00 -0.76 0.00 0.00 57.45 57.84 1cnp n PHE 16 Cb 0.47 -0.61 0.18 0.00 0.35 0.00 0.00 39.48 39.87 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 -5.20 0.26 -0.15 -5.13 8.25 0.52 -3.15 115.22 110.63 1cnp n HIS 17 Ca 0.03 0.07 -0.08 0.00 -0.26 0.00 0.00 57.72 57.48 1cnp n HIS 17 Cb 0.26 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 30.93 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 0.00 0.61 -2.31 -0.41 3.64 0.41 -3.20 116.57 115.31 1cnp h LYS 18 Ca 0.00 -0.08 -0.28 0.00 -1.27 0.00 0.00 60.65 59.02 1cnp h LYS 18 Cb 0.63 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1cnp h LYS 18 CO 0.00 0.51 0.61 0.66 -2.27 0.00 0.00 179.45 178.96 1cnp n TYR 19 N -4.68 0.53 -2.67 1.91 4.01 -0.94 -3.32 117.16 111.99 1cnp n TYR 19 Ca 0.01 -1.75 -0.04 0.00 -0.16 0.00 0.00 57.90 55.96 1cnp n TYR 19 Cb 0.10 -1.71 0.12 0.00 -0.31 0.00 0.00 39.34 37.53 1cnp n TYR 19 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1cnp n SER 20 N 2.81 -1.55 -0.31 7.72 3.41 -1.21 -1.26 113.62 123.22 1cnp n SER 20 Ca 0.48 -2.23 0.12 0.00 -0.26 0.00 0.00 58.87 56.98 1cnp n SER 20 Cb 0.70 0.79 0.30 0.00 -0.26 0.00 0.00 64.21 65.74 1cnp n SER 20 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1cnp h GLY 21 N 1.31 1.57 0.00 5.00 0.00 -1.80 -3.27 103.07 105.88 1cnp h GLY 21 Ca -0.37 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1cnp h GLY 21 CO -0.14 -0.20 0.00 0.58 0.00 0.00 0.00 176.54 176.78 1cnp n LYS 22 N -4.97 0.00 0.00 4.80 0.00 -1.26 -4.82 118.16 111.91 1cnp n LYS 22 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 1cnp n LYS 22 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.65 1cnp n LYS 22 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1cnp n GLU 23 N 0.00 0.00 -0.17 -1.58 1.02 -1.26 -1.03 120.64 117.63 1cnp n GLU 23 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1cnp n GLU 23 Cb 0.00 0.00 0.32 0.00 -0.02 0.00 0.00 31.44 31.74 1cnp n GLU 23 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1cnp h GLY 24 N 0.00 0.94 -2.88 0.62 0.00 -1.84 -3.48 103.07 96.44 1cnp h GLY 24 Ca 0.00 -0.33 0.35 0.00 0.00 0.00 0.00 47.33 47.36 1cnp h GLY 24 CO 0.00 0.29 -0.47 1.34 0.00 0.00 0.00 176.54 177.70 1cnp n ASP 25 N -4.46 -7.94 -2.93 0.19 2.03 -0.19 -2.33 116.55 100.92 1cnp n ASP 25 Ca 0.08 1.39 -0.27 0.00 0.52 0.00 0.00 54.79 56.51 1cnp n ASP 25 Cb 0.12 -3.94 -0.06 0.00 -0.72 0.00 0.00 41.12 36.52 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 -3.91 2.82 0.14 -0.67 4.01 -1.25 -2.76 118.16 116.53 1cnp n LYS 26 Ca 0.01 -1.67 0.00 0.00 -0.51 0.00 0.00 58.31 56.14 1cnp n LYS 26 Cb 0.59 -2.48 0.00 0.00 -0.51 0.00 0.00 35.03 32.63 1cnp n LYS 26 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1cnp n HIS 27 N 3.42 -2.68 -4.35 2.13 8.25 -1.26 -5.15 115.22 115.58 1cnp n HIS 27 Ca 0.60 0.63 -0.23 0.00 -0.26 0.00 0.00 57.72 58.46 1cnp n HIS 27 Cb 0.37 1.38 -0.08 0.00 1.12 0.00 0.00 29.99 32.78 1cnp n HIS 27 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1cnp s THR 28 N -1.76 3.03 -0.20 1.59 -4.23 -0.99 -4.85 115.64 108.24 1cnp s THR 28 Ca 0.00 -2.07 -0.16 0.00 -1.18 0.00 0.00 61.69 58.28 1cnp s THR 28 Cb 0.00 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 1cnp s THR 28 CO 0.00 -0.36 0.39 -0.22 -0.54 0.00 0.00 174.62 173.89 1cnp s LEU 29 N -3.63 4.16 0.17 4.79 2.96 0.60 -3.42 118.68 124.32 1cnp s LEU 29 Ca 0.32 0.51 -0.31 0.00 -0.22 0.00 0.00 54.13 54.42 1cnp s LEU 29 Cb -0.05 -2.50 -0.10 0.00 0.50 0.00 0.00 46.19 44.04 1cnp s LEU 29 CO 0.18 -0.07 1.49 -0.44 -1.32 0.00 0.00 176.35 176.20 1cnp s SER 30 N 1.03 6.66 0.48 3.68 0.01 -0.39 -2.01 113.70 123.15 1cnp s SER 30 Ca 0.19 2.56 0.20 0.00 1.31 0.00 0.00 55.95 60.20 1cnp s SER 30 Cb -0.15 -2.60 1.21 0.00 0.21 0.00 0.00 66.02 64.69 1cnp s SER 30 CO 0.08 -0.75 1.97 0.07 0.41 0.00 0.00 173.24 175.02 1cnp h LYS 31 N 6.35 0.21 0.22 12.44 2.10 -1.90 0.16 116.57 136.16 1cnp h LYS 31 Ca -0.43 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.19 1cnp h LYS 31 Cb 1.21 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1cnp h LYS 31 CO 0.87 0.14 -0.11 -0.22 -2.00 0.00 0.00 179.45 178.13 1cnp h LYS 32 N 0.22 -0.29 -0.26 0.07 3.11 -1.94 -3.19 116.57 114.29 1cnp h LYS 32 Ca 0.29 0.02 0.07 0.00 -2.81 0.00 0.00 60.65 58.23 1cnp h LYS 32 Cb 0.85 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.14 1cnp h LYS 32 CO -0.06 -0.13 0.26 0.93 -2.81 0.00 0.00 179.45 177.64 1cnp h GLU 33 N -1.06 0.00 -0.74 1.90 3.07 -1.80 0.20 114.58 116.15 1cnp h GLU 33 Ca -0.03 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 58.97 1cnp h GLU 33 Cb 0.29 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.15 1cnp h GLU 33 CO 0.05 0.00 0.49 1.25 -1.40 0.00 0.00 179.01 179.40 1cnp h LEU 34 N 0.00 0.40 0.00 1.33 6.46 -0.68 0.11 115.31 122.94 1cnp h LEU 34 Ca 0.12 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1cnp h LEU 34 Cb 0.65 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1cnp h LEU 34 CO -0.00 0.21 0.00 0.29 -0.62 0.00 0.00 178.44 178.32 1cnp n LYS 35 N -4.48 0.35 -0.03 1.25 4.01 0.70 -0.18 118.16 119.78 1cnp n LYS 35 Ca 0.14 0.04 -0.15 0.00 -0.51 0.00 0.00 58.31 57.82 1cnp n LYS 35 Cb 0.50 -1.50 -0.11 0.00 -0.51 0.00 0.00 35.03 33.42 1cnp n LYS 35 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1cnp h GLU 36 N 0.00 0.20 -0.55 1.97 4.81 -0.90 -3.26 114.58 116.84 1cnp h GLU 36 Ca 0.00 -0.19 0.11 0.00 -0.13 0.00 0.00 59.36 59.15 1cnp h GLU 36 Cb 0.02 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.34 1cnp h GLU 36 CO 0.00 0.89 -0.26 1.25 -0.73 0.00 0.00 179.01 180.16 1cnp h LEU 37 N -0.42 -0.90 -0.55 1.64 6.46 -0.64 -0.90 115.31 120.00 1cnp h LEU 37 Ca -0.03 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1cnp h LEU 37 Cb 0.96 0.48 -0.03 0.00 -0.73 0.00 0.00 40.66 41.35 1cnp h LEU 37 CO 0.05 -0.27 0.35 -0.29 -0.62 0.00 0.00 178.44 177.66 1cnp h ILE 38 N -0.12 1.15 0.87 4.05 -0.00 -1.58 -1.94 117.51 119.93 1cnp h ILE 38 Ca 0.24 -0.31 -0.04 0.00 -0.00 0.00 0.00 64.86 64.76 1cnp h ILE 38 Cb 0.51 0.38 0.01 0.00 -0.00 0.00 0.00 36.82 37.72 1cnp h ILE 38 CO -0.63 0.15 -0.42 -0.61 -0.00 0.00 0.00 178.15 176.65 1cnp h GLN 39 N 0.74 -1.12 0.00 2.19 -0.00 -1.36 -3.42 115.11 112.13 1cnp h GLN 39 Ca 0.20 0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.92 1cnp h GLN 39 Cb -0.05 0.25 0.00 0.00 0.00 0.00 0.00 27.48 27.68 1cnp h GLN 39 CO -0.04 -0.75 0.00 0.36 0.00 0.00 0.00 178.83 178.40 1cnp n LYS 40 N -5.27 0.00 -0.24 1.69 2.85 -0.43 -4.69 118.16 112.07 1cnp n LYS 40 Ca -0.14 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.03 1cnp n LYS 40 Cb 0.46 -0.10 -0.05 0.00 -0.65 0.00 0.00 35.03 34.69 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 -0.20 0.00 -1.58 3.07 -1.55 -0.77 114.58 113.55 1cnp h GLU 41 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1cnp h GLU 41 Cb 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1cnp h GLU 41 CO 0.00 -0.13 0.00 1.47 -1.40 0.00 0.00 179.01 178.95 1cnp n LEU 42 N -5.39 0.00 0.00 1.33 -0.00 -0.87 -4.88 117.00 107.19 1cnp n LEU 42 Ca 0.02 0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 1cnp n LEU 42 Cb 0.34 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 1cnp n LEU 42 CO -0.04 -0.06 0.00 0.41 -0.00 0.00 0.00 177.39 177.70 1cnp n THR 43 N -1.11 0.00 0.30 1.47 -1.04 -0.30 -0.41 114.28 113.19 1cnp n THR 43 Ca 0.09 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.29 1cnp n THR 43 Cb 0.07 0.00 0.91 0.00 -1.82 0.00 0.00 70.33 69.49 1cnp n THR 43 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1cnp h ILE 44 N 0.00 0.07 -1.80 12.58 2.04 -1.90 -3.43 117.51 125.07 1cnp h ILE 44 Ca 0.00 -0.31 -0.66 0.00 1.00 0.00 0.00 64.86 64.89 1cnp h ILE 44 Cb 0.00 1.29 0.06 0.00 -0.74 0.00 0.00 36.82 37.42 1cnp h ILE 44 CO 0.00 0.02 0.50 0.61 0.00 0.00 0.00 178.15 179.28 1cnp n GLY 45 N -0.50 0.56 2.40 5.37 0.00 0.45 -0.80 105.19 112.67 1cnp n GLY 45 Ca -0.01 0.68 -0.18 0.00 0.00 0.00 0.00 46.02 46.51 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 2.64 -5.06 -0.45 1.61 7.64 -1.26 -4.82 113.62 113.92 1cnp n SER 46 Ca 0.18 0.18 0.08 0.00 1.01 0.00 0.00 58.87 60.31 1cnp n SER 46 Cb 0.21 -4.33 0.17 0.00 -1.01 0.00 0.00 64.21 59.25 1cnp n SER 46 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1cnp n LYS 47 N -2.71 2.34 -1.68 1.43 4.76 0.02 -4.75 118.16 117.58 1cnp n LYS 47 Ca -0.20 -2.47 -0.41 0.00 -2.87 0.00 0.00 58.31 52.36 1cnp n LYS 47 Cb 0.64 -1.54 -0.03 0.00 -1.84 0.00 0.00 35.03 32.26 1cnp n LYS 47 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1cnp n LEU 48 N -0.70 5.00 -2.94 -0.35 4.32 -1.26 -3.90 117.00 117.16 1cnp n LEU 48 Ca 0.15 -3.50 -0.11 0.00 -0.02 0.00 0.00 56.01 52.53 1cnp n LEU 48 Cb 0.66 -1.47 0.01 0.00 -1.62 0.00 0.00 43.42 41.00 1cnp n LEU 48 CO 0.07 -0.00 -0.07 1.67 -1.22 0.00 0.00 177.39 177.83 1cnp n GLN 49 N 7.08 -2.41 -1.45 3.23 -0.06 -1.26 -4.91 117.38 117.60 1cnp n GLN 49 Ca 0.50 2.08 -0.37 0.00 -2.00 0.00 0.00 57.00 57.21 1cnp n GLN 49 Cb 0.42 -5.02 0.06 0.00 -4.06 0.00 0.00 30.24 21.64 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 -0.13 -0.02 -1.48 1.69 2.03 -1.25 -4.85 116.55 112.54 1cnp n ASP 50 Ca 0.07 0.71 -0.01 0.00 0.52 0.00 0.00 54.79 56.08 1cnp n ASP 50 Cb 0.44 -1.32 0.01 0.00 -0.72 0.00 0.00 41.12 39.52 1cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cnp n ALA 51 N -2.10 -0.53 -0.01 -1.67 0.00 -1.26 -4.94 120.51 110.00 1cnp n ALA 51 Ca 0.13 -0.25 -0.17 0.00 0.00 0.00 0.00 53.44 53.15 1cnp n ALA 51 Cb 0.49 0.16 -0.12 0.00 0.00 0.00 0.00 19.45 19.98 1cnp n ALA 51 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1cnp h GLU 52 N 0.00 0.28 -0.92 0.00 9.09 -2.00 -3.22 114.58 117.81 1cnp h GLU 52 Ca -0.07 -0.32 0.24 0.00 0.05 0.00 0.00 59.36 59.27 1cnp h GLU 52 Cb 0.27 0.10 -0.13 0.00 -1.65 0.00 0.00 28.75 27.33 1cnp h GLU 52 CO 0.09 1.04 0.39 0.82 0.05 0.00 0.00 179.01 181.39 1cnp h ILE 53 N -0.34 0.40 0.00 -1.06 2.04 -1.97 0.21 117.51 116.78 1cnp h ILE 53 Ca -0.06 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 1cnp h ILE 53 Cb 1.21 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1cnp h ILE 53 CO 0.09 0.06 -0.28 0.58 0.00 0.00 0.00 178.15 178.60 1cnp h VAL 54 N 0.34 0.75 -0.26 1.67 2.07 -1.89 0.13 116.25 119.06 1cnp h VAL 54 Ca 0.59 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 1cnp h VAL 54 Cb 1.20 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1cnp h VAL 54 CO -0.58 0.27 0.01 0.11 0.02 0.00 0.00 177.57 177.41 1cnp h LYS 55 N 0.00 0.45 -0.85 1.57 1.79 -0.62 -0.12 116.57 118.79 1cnp h LYS 55 Ca -0.00 -0.14 0.05 0.00 -2.18 0.00 0.00 60.65 58.38 1cnp h LYS 55 Cb 0.72 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.27 1cnp h LYS 55 CO 0.04 0.61 0.53 -0.07 -1.08 0.00 0.00 179.45 179.48 1cnp h LEU 56 N 0.24 0.85 0.08 2.94 -0.00 -0.67 0.16 115.31 118.92 1cnp h LEU 56 Ca 0.08 0.01 0.01 0.00 -0.00 0.00 0.00 57.88 57.98 1cnp h LEU 56 Cb 0.40 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 1cnp h LEU 56 CO 0.01 0.55 -0.14 -0.03 -0.00 0.00 0.00 178.44 178.83 1cnp h MET 57 N 0.99 -0.27 -0.36 1.13 4.05 -0.55 -2.50 114.93 117.42 1cnp h MET 57 Ca 0.36 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.79 1cnp h MET 57 Cb 0.13 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1cnp h MET 57 CO -0.16 -0.18 0.17 0.22 0.23 0.00 0.00 176.91 177.19 1cnp h ASP 58 N -0.28 0.44 0.00 1.39 3.58 -0.42 0.11 116.42 121.24 1cnp h ASP 58 Ca 0.02 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1cnp h ASP 58 Cb 0.30 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1cnp h ASP 58 CO -0.08 0.38 0.00 0.47 -2.88 0.00 0.00 179.24 177.13 1cnp n ASP 59 N -4.42 0.23 0.11 2.28 9.92 0.51 -2.75 116.55 122.43 1cnp n ASP 59 Ca 0.02 -0.78 0.18 0.00 -0.53 0.00 0.00 54.79 53.69 1cnp n ASP 59 Cb 0.12 -0.12 0.75 0.00 -0.64 0.00 0.00 41.12 41.23 1cnp n ASP 59 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1cnp h LEU 60 N 0.37 0.00 -1.12 0.64 3.38 -0.70 0.34 115.31 118.22 1cnp h LEU 60 Ca 0.00 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.26 1cnp h LEU 60 Cb 0.12 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.74 1cnp h LEU 60 CO 0.00 0.00 0.63 -2.24 0.09 0.00 0.00 178.44 176.92 1cnp h ASP 61 N 0.00 0.53 0.49 -0.43 3.04 -1.78 0.25 116.42 118.52 1cnp h ASP 61 Ca 0.16 0.14 0.00 0.00 -3.24 0.00 0.00 57.03 54.10 1cnp h ASP 61 Cb 0.77 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.13 1cnp h ASP 61 CO -0.00 -0.01 0.00 -1.14 -2.04 0.00 0.00 179.24 176.05 1cnp n ARG 62 N -4.87 0.05 -0.31 4.15 3.00 0.12 -3.74 116.66 115.05 1cnp n ARG 62 Ca 0.29 0.32 0.08 0.00 -0.00 0.00 0.00 57.85 58.54 1cnp n ARG 62 Cb 0.92 -1.60 0.28 0.00 0.00 0.00 0.00 32.46 32.07 1cnp n ARG 62 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1cnp h ASN 63 N 0.00 0.84 -5.12 6.15 -1.24 -1.05 -3.42 115.58 111.74 1cnp h ASN 63 Ca 0.00 0.03 -0.06 0.00 0.71 0.00 0.00 56.30 56.99 1cnp h ASN 63 Cb 0.25 -0.14 -0.12 0.00 0.73 0.00 0.00 38.32 39.03 1cnp h ASN 63 CO 0.00 0.47 -0.12 -1.59 -1.29 0.00 0.00 177.43 174.91 1cnp s LYS 64 N -5.86 1.14 0.00 6.67 -2.85 -1.25 -4.98 119.74 112.61 1cnp s LYS 64 Ca -0.11 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.01 1cnp s LYS 64 Cb 0.21 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.44 1cnp s LYS 64 CO 0.80 -0.45 0.00 -0.25 0.10 0.00 0.00 175.35 175.55 1cnp n ASP 65 N -0.24 0.00 0.00 0.03 9.92 -1.26 -4.69 116.55 120.31 1cnp n ASP 65 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1cnp n ASP 65 Cb 0.63 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 1cnp n ASP 65 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1cnp n GLN 66 N 0.00 0.00 -2.52 -1.24 7.27 -1.26 -4.44 117.38 115.19 1cnp n GLN 66 Ca 0.00 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.64 1cnp n GLN 66 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1cnp n GLN 66 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1cnp n GLU 67 N 0.00 3.18 -1.57 3.69 -0.58 -1.26 -4.20 120.64 119.90 1cnp n GLU 67 Ca 0.00 -3.26 -0.39 0.00 -0.42 0.00 0.00 57.16 53.09 1cnp n GLU 67 Cb 0.00 -3.43 0.04 0.00 -0.57 0.00 0.00 31.44 27.47 1cnp n GLU 67 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1cnp n VAL 68 N 6.09 2.94 -2.02 2.62 0.24 -0.85 -4.14 118.33 123.19 1cnp n VAL 68 Ca 0.48 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.34 62.00 1cnp n VAL 68 Cb 0.45 -1.02 0.14 0.00 -1.47 0.00 0.00 33.84 31.94 1cnp n VAL 68 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1cnp s ASN 69 N -1.08 3.81 0.31 -1.34 2.20 -1.26 -0.29 114.94 117.29 1cnp s ASN 69 Ca 0.70 0.36 -0.00 0.00 -0.94 0.00 0.00 52.86 52.97 1cnp s ASN 69 Cb -0.47 -0.62 0.48 0.00 -2.00 0.00 0.00 41.25 38.64 1cnp s ASN 69 CO 0.52 -2.29 1.92 0.15 -2.94 0.00 0.00 177.10 174.45 1cnp h PHE 70 N -1.25 0.88 0.08 1.54 3.57 -1.96 -0.75 116.94 119.06 1cnp h PHE 70 Ca -0.44 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.03 1cnp h PHE 70 Cb 1.27 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1cnp h PHE 70 CO -0.50 0.64 -0.04 0.37 -2.23 0.00 0.00 178.31 176.55 1cnp h GLN 71 N 0.89 -0.11 -0.22 1.11 -0.00 -1.98 0.16 115.11 114.96 1cnp h GLN 71 Ca 0.22 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.92 1cnp h GLN 71 Cb 0.08 0.02 -0.04 0.00 0.00 0.00 0.00 27.48 27.54 1cnp h GLN 71 CO -0.03 0.13 -0.02 0.93 0.00 0.00 0.00 178.83 179.84 1cnp h GLU 72 N -0.33 0.05 -0.34 1.69 3.07 -1.86 0.15 114.58 117.00 1cnp h GLU 72 Ca -0.01 -0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.90 1cnp h GLU 72 Cb 0.29 -0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.10 1cnp h GLU 72 CO 0.02 0.03 -0.49 -0.92 -1.40 0.00 0.00 179.01 176.26 1cnp h TYR 73 N 0.05 -1.44 -0.67 4.33 3.20 -1.11 -2.79 116.97 118.54 1cnp h TYR 73 Ca 0.11 0.07 0.04 0.00 3.14 0.00 0.00 58.73 62.09 1cnp h TYR 73 Cb 0.14 0.68 -0.05 0.00 1.54 0.00 0.00 36.73 39.04 1cnp h TYR 73 CO -0.20 -0.48 0.40 0.82 -1.64 0.00 0.00 178.16 177.06 1cnp h ILE 74 N -0.40 1.03 -0.13 1.81 1.08 0.12 -3.33 117.51 117.68 1cnp h ILE 74 Ca 0.10 -0.26 0.04 0.00 -0.39 0.00 0.00 64.86 64.35 1cnp h ILE 74 Cb 0.61 0.21 -0.05 0.00 -3.07 0.00 0.00 36.82 34.52 1cnp h ILE 74 CO -0.55 0.14 -0.18 0.71 -0.69 0.00 0.00 178.15 177.58 1cnp h THR 75 N 0.76 0.54 -0.46 -0.27 1.35 -0.44 0.65 112.91 115.03 1cnp h THR 75 Ca 0.29 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 66.09 1cnp h THR 75 Cb 0.10 0.54 -0.02 0.00 -1.73 0.00 0.00 68.15 67.04 1cnp h THR 75 CO -0.14 0.00 0.06 2.19 -0.25 0.00 0.00 175.52 177.38 1cnp h PHE 76 N -0.23 0.83 -0.53 4.73 -0.00 -1.68 0.13 116.94 120.20 1cnp h PHE 76 Ca 0.10 -0.12 0.10 0.00 -0.00 0.00 0.00 57.97 58.05 1cnp h PHE 76 Cb 0.37 -0.23 -0.09 0.00 -0.00 0.00 0.00 35.95 36.00 1cnp h PHE 76 CO -0.29 0.78 -0.02 -0.07 -0.00 0.00 0.00 178.31 178.71 1cnp h LEU 77 N 0.64 -0.27 0.92 2.10 3.38 -1.58 0.73 115.31 121.23 1cnp h LEU 77 Ca 0.14 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 1cnp h LEU 77 Cb 0.41 0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.41 1cnp h LEU 77 CO 0.01 -0.10 -0.44 1.23 0.09 0.00 0.00 178.44 179.23 1cnp h GLY 78 N 0.10 -1.29 -0.33 0.83 0.00 -0.56 -3.01 103.07 98.82 1cnp h GLY 78 Ca 0.27 0.48 0.09 0.00 0.00 0.00 0.00 47.33 48.17 1cnp h GLY 78 CO -0.46 -0.47 -0.33 0.00 0.00 0.00 0.00 176.54 175.28 1cnp h ALA 79 N -1.15 -0.10 -0.10 3.60 0.00 -0.26 0.89 119.26 122.15 1cnp h ALA 79 Ca -0.13 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1cnp h ALA 79 Cb 0.95 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 1cnp h ALA 79 CO 0.21 -0.70 0.17 -0.07 0.00 0.00 0.00 179.25 178.87 1cnp h LEU 80 N -0.19 0.00 -0.82 0.00 3.38 -0.90 -0.92 115.31 115.86 1cnp h LEU 80 Ca 0.21 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.29 1cnp h LEU 80 Cb 0.54 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.22 1cnp h LEU 80 CO -0.63 0.00 0.45 0.00 0.09 0.00 0.00 178.44 178.35 1cnp h ALA 81 N 1.75 1.19 -0.00 1.53 0.00 -0.67 0.30 119.26 123.37 1cnp h ALA 81 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1cnp h ALA 81 Cb 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1cnp h ALA 81 CO -0.00 0.03 0.00 0.52 0.00 0.00 0.00 179.25 179.80 1cnp h MET 82 N 0.72 0.00 0.00 0.00 2.86 -1.27 -0.10 114.93 117.14 1cnp h MET 82 Ca 0.41 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 1cnp h MET 82 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1cnp h MET 82 CO -0.28 0.00 0.00 -0.89 1.06 0.00 0.00 176.91 176.80 1cnp n ILE 83 N -3.23 0.00 0.25 -1.22 2.08 0.39 -4.71 119.36 112.92 1cnp n ILE 83 Ca -0.03 0.32 0.14 0.00 0.56 0.00 0.00 62.75 63.73 1cnp n ILE 83 Cb 0.07 -1.16 0.55 0.00 -0.75 0.00 0.00 39.64 38.36 1cnp n ILE 83 CO 0.00 0.00 0.00 0.10 0.56 0.00 0.00 176.55 177.21 1cnp h TYR 84 N 0.00 0.00 -0.39 1.39 -0.00 -0.55 -3.08 116.97 114.34 1cnp h TYR 84 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.65 1cnp h TYR 84 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 36.69 1cnp h TYR 84 CO 0.00 0.10 0.10 -1.71 -0.00 0.00 0.00 178.16 176.65 1cnp n ASN 85 N -3.23 3.61 -4.52 0.10 5.15 -0.05 -5.00 115.26 111.32 1cnp n ASN 85 Ca 0.01 -2.62 -0.44 0.00 -0.60 0.00 0.00 54.58 50.93 1cnp n ASN 85 Cb 0.37 -0.63 -0.01 0.00 -0.53 0.00 0.00 39.78 38.99 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 0.15 0.91 0.00 1.20 4.07 -1.17 -4.06 120.64 121.74 1cnp n GLU 86 Ca 0.20 0.32 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 1cnp n GLU 86 Cb 0.88 -1.64 0.00 0.00 -0.06 0.00 0.00 31.44 30.62 1cnp n GLU 86 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1cnp n ALA 87 N -0.27 0.00 0.29 4.31 0.00 -1.26 -4.97 120.51 118.60 1cnp n ALA 87 Ca 0.11 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.73 1cnp n ALA 87 Cb 0.35 0.00 0.85 0.00 0.00 0.00 0.00 19.45 20.64 1cnp n ALA 87 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1cnp h LEU 88 N 0.00 0.00 0.00 0.00 -0.00 -1.95 -2.92 115.31 110.44 1cnp h LEU 88 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 57.88 57.42 1cnp h LEU 88 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.59 1cnp h LEU 88 CO 0.00 0.02 -2.52 0.29 -0.00 0.00 0.00 178.44 176.23 1cnp n LYS 89 N -3.17 0.58 0.00 0.17 5.02 -1.26 -5.16 118.16 114.34 1cnp n LYS 89 Ca -0.01 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1cnp n LYS 89 Cb 0.23 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29