#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 -1.23 -5.12 0.00 -1.26 -5.07 120.51 107.83 1cnp n ALA 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1cnp n ALA 2 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 0.00 3.36 0.34 0.00 0.01 -1.26 -4.62 113.70 111.53 1cnp s SER 3 Ca 0.00 1.40 0.13 0.00 1.31 0.00 0.00 55.95 58.79 1cnp s SER 3 Cb 0.00 -2.08 1.05 0.00 0.21 0.00 0.00 66.02 65.21 1cnp s SER 3 CO 0.00 -2.70 1.65 -0.65 0.41 0.00 0.00 173.24 171.95 1cnp h PRO 4 N -1.59 0.26 -0.14 12.44 0.11 -2.02 0.18 132.00 141.23 1cnp h PRO 4 Ca -0.50 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.63 1cnp h PRO 4 Cb 1.29 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 1cnp h PRO 4 CO 0.56 0.17 -0.43 1.25 -0.21 0.00 0.00 178.00 179.34 1cnp h LEU 5 N 0.26 -1.35 0.04 2.35 5.85 -1.98 0.14 115.31 120.62 1cnp h LEU 5 Ca 0.72 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 59.61 1cnp h LEU 5 Cb 1.65 0.55 0.00 0.00 0.37 0.00 0.00 40.66 43.23 1cnp h LEU 5 CO -0.64 -0.43 -0.02 0.44 -0.34 0.00 0.00 178.44 177.45 1cnp h ASP 6 N -0.49 -0.05 -0.93 1.25 3.32 -1.08 -2.53 116.42 115.91 1cnp h ASP 6 Ca 0.08 -0.02 0.17 0.00 0.02 0.00 0.00 57.03 57.28 1cnp h ASP 6 Cb 0.63 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.09 1cnp h ASP 6 CO -0.41 -0.01 0.52 1.56 -1.72 0.00 0.00 179.24 179.18 1cnp h GLN 7 N -0.08 0.65 0.00 3.56 4.20 -0.72 0.18 115.11 122.90 1cnp h GLN 7 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1cnp h GLN 7 Cb 0.07 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1cnp h GLN 7 CO 0.01 0.43 0.00 0.00 -0.67 0.00 0.00 178.83 178.60 1cnp n ALA 8 N -2.38 1.73 -0.10 3.87 0.00 0.46 -0.12 120.51 123.98 1cnp n ALA 8 Ca 0.21 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.44 1cnp n ALA 8 Cb 0.52 -1.30 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 1cnp n ALA 8 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1cnp n ILE 9 N -1.72 1.51 -0.33 0.00 5.41 0.35 -4.43 119.36 120.14 1cnp n ILE 9 Ca 0.03 -0.01 0.14 0.00 1.00 0.00 0.00 62.75 63.91 1cnp n ILE 9 Cb 0.21 -2.11 0.28 0.00 -0.71 0.00 0.00 39.64 37.31 1cnp n ILE 9 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1cnp h GLY 10 N -1.00 1.23 -0.76 7.39 0.00 -0.43 0.16 103.07 109.66 1cnp h GLY 10 Ca -0.31 0.13 0.17 0.00 0.00 0.00 0.00 47.33 47.32 1cnp h GLY 10 CO -0.18 -0.48 -0.24 -2.00 0.00 0.00 0.00 176.54 173.64 1cnp h LEU 11 N 0.04 -0.88 -1.37 3.11 5.85 -0.73 0.18 115.31 121.51 1cnp h LEU 11 Ca 0.58 0.27 -0.06 0.00 0.84 0.00 0.00 57.88 59.50 1cnp h LEU 11 Cb 1.18 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 42.77 1cnp h LEU 11 CO -0.86 -0.29 -0.29 -0.07 -0.34 0.00 0.00 178.44 176.59 1cnp h LEU 12 N -0.01 0.00 -0.19 2.25 -0.00 -0.91 0.19 115.31 116.64 1cnp h LEU 12 Ca 0.41 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 58.19 1cnp h LEU 12 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1cnp h LEU 12 CO -0.90 0.29 -0.25 0.40 -0.00 0.00 0.00 178.44 177.98 1cnp h ILE 13 N 0.00 1.34 -0.41 1.22 2.04 -0.73 -0.24 117.51 120.73 1cnp h ILE 13 Ca -0.00 -1.45 0.09 0.00 1.00 0.00 0.00 64.86 64.49 1cnp h ILE 13 Cb 0.62 1.83 -0.09 0.00 -0.74 0.00 0.00 36.82 38.44 1cnp h ILE 13 CO 0.04 0.44 -0.23 1.23 0.00 0.00 0.00 178.15 179.63 1cnp h GLY 14 N 0.17 0.01 0.59 5.37 0.00 0.54 0.16 103.07 109.91 1cnp h GLY 14 Ca 0.02 0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.62 1cnp h GLY 14 CO 0.06 -0.21 -0.33 -2.22 0.00 0.00 0.00 176.54 173.85 1cnp h ILE 15 N -0.16 0.00 -0.10 2.60 1.08 -0.68 0.61 117.51 120.86 1cnp h ILE 15 Ca 0.20 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.67 1cnp h ILE 15 Cb 0.47 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 1cnp h ILE 15 CO -0.51 0.00 -0.06 0.33 -0.69 0.00 0.00 178.15 177.22 1cnp n PHE 16 N -4.43 -0.04 0.87 1.37 -0.00 -0.10 -1.02 117.46 114.10 1cnp n PHE 16 Ca -0.10 0.13 0.05 0.00 -0.00 0.00 0.00 57.45 57.52 1cnp n PHE 16 Cb 0.34 -0.35 0.15 0.00 -0.00 0.00 0.00 39.48 39.63 1cnp n PHE 16 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1cnp n HIS 17 N -2.97 0.49 -0.18 -5.13 8.25 0.53 -2.74 115.22 113.47 1cnp n HIS 17 Ca 0.00 -0.23 -0.08 0.00 -0.26 0.00 0.00 57.72 57.15 1cnp n HIS 17 Cb 0.03 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.13 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 1.94 0.76 -4.66 -0.41 3.64 0.87 -3.29 116.57 115.42 1cnp h LYS 18 Ca 0.00 -0.12 -0.64 0.00 -1.27 0.00 0.00 60.65 58.62 1cnp h LYS 18 Cb 0.51 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1cnp h LYS 18 CO 0.02 0.64 2.45 0.66 -2.27 0.00 0.00 179.45 180.96 1cnp n TYR 19 N -4.57 3.11 -1.82 1.91 4.01 -1.11 -4.44 117.16 114.25 1cnp n TYR 19 Ca 0.02 -2.40 -0.06 0.00 -0.16 0.00 0.00 57.90 55.31 1cnp n TYR 19 Cb 0.13 -2.31 0.13 0.00 -0.31 0.00 0.00 39.34 36.97 1cnp n TYR 19 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1cnp n SER 20 N 7.98 2.95 -2.01 7.72 7.64 -1.24 -4.83 113.62 131.83 1cnp n SER 20 Ca 0.50 -3.74 -0.12 0.00 1.01 0.00 0.00 58.87 56.51 1cnp n SER 20 Cb 0.42 -0.45 -0.17 0.00 -1.01 0.00 0.00 64.21 63.00 1cnp n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cnp n GLY 21 N -0.90 2.99 0.00 0.23 0.00 -1.26 -3.80 105.19 102.45 1cnp n GLY 21 Ca 0.28 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1cnp n GLY 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1cnp n LYS 22 N 2.51 0.00 0.06 1.61 4.81 -1.26 -4.91 118.16 120.98 1cnp n LYS 22 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1cnp n LYS 22 Cb 0.91 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.96 1cnp n LYS 22 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1cnp n GLU 23 N -0.40 0.00 0.00 1.64 -0.00 -1.25 -5.04 120.64 115.59 1cnp n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1cnp n GLU 23 Cb 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 31.44 31.06 1cnp n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1cnp n GLY 24 N 3.15 0.86 7.00 -1.84 0.00 -1.26 -4.85 105.19 108.26 1cnp n GLY 24 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 2.10 0.00 -0.93 1.61 2.03 -1.26 -1.15 116.55 118.95 1cnp n ASP 25 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 1cnp n ASP 25 Cb 0.00 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 40.60 1cnp n ASP 25 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1cnp n LYS 26 N 14.00 1.87 0.00 -0.67 2.85 -1.26 -5.02 118.16 129.93 1cnp n LYS 26 Ca 0.00 -3.12 0.00 0.00 -1.05 0.00 0.00 58.31 54.14 1cnp n LYS 26 Cb 0.00 -1.75 0.00 0.00 -0.65 0.00 0.00 35.03 32.63 1cnp n LYS 26 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 1cnp n HIS 27 N -1.08 0.00 -0.37 5.58 1.44 -0.30 -5.10 115.22 115.39 1cnp n HIS 27 Ca 0.28 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.99 1cnp n HIS 27 Cb 0.92 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.03 1cnp n HIS 27 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1cnp n THR 28 N 0.00 0.00 -3.99 0.61 -2.24 -1.26 -5.03 114.28 102.37 1cnp n THR 28 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1cnp n THR 28 Cb 0.00 -0.86 -0.15 0.00 -2.10 0.00 0.00 70.33 67.22 1cnp n THR 28 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1cnp s LEU 29 N 0.00 3.08 1.05 3.22 1.43 0.24 -4.86 118.68 122.84 1cnp s LEU 29 Ca 0.00 -0.87 -0.14 0.00 -1.03 0.00 0.00 54.13 52.08 1cnp s LEU 29 Cb 0.00 -1.64 0.21 0.00 0.03 0.00 0.00 46.19 44.80 1cnp s LEU 29 CO 0.00 -0.11 1.11 -0.44 0.23 0.00 0.00 176.35 177.13 1cnp s SER 30 N 1.31 2.20 0.20 2.29 0.01 -1.26 -0.52 113.70 117.93 1cnp s SER 30 Ca 0.00 0.97 -0.18 0.00 1.31 0.00 0.00 55.95 58.05 1cnp s SER 30 Cb -0.16 -1.50 0.19 0.00 0.21 0.00 0.00 66.02 64.76 1cnp s SER 30 CO -0.05 -3.37 1.59 0.11 0.41 0.00 0.00 173.24 171.92 1cnp h LYS 31 N -2.06 -0.10 0.48 12.44 1.57 -1.87 0.10 116.57 127.13 1cnp h LYS 31 Ca -0.52 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.26 1cnp h LYS 31 Cb 1.32 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.64 1cnp h LYS 31 CO 0.51 -0.06 -0.38 -0.22 -0.57 0.00 0.00 179.45 178.73 1cnp h LYS 32 N -0.10 -0.82 -0.89 3.15 3.11 -1.91 0.10 116.57 119.21 1cnp h LYS 32 Ca 0.28 0.06 0.19 0.00 -2.81 0.00 0.00 60.65 58.37 1cnp h LYS 32 Cb 0.56 0.19 -0.11 0.00 -1.00 0.00 0.00 32.23 31.86 1cnp h LYS 32 CO -0.74 -0.55 0.43 0.93 -2.81 0.00 0.00 179.45 176.72 1cnp h GLU 33 N -0.85 0.49 -0.16 1.90 3.07 -1.70 0.46 114.58 117.80 1cnp h GLU 33 Ca -0.05 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1cnp h GLU 33 Cb 0.73 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 1cnp h GLU 33 CO -0.01 0.33 0.01 1.25 -1.40 0.00 0.00 179.01 179.19 1cnp h LEU 34 N 0.51 0.28 -0.59 1.33 7.12 0.28 0.26 115.31 124.50 1cnp h LEU 34 Ca 0.53 -0.30 0.03 0.00 0.13 0.00 0.00 57.88 58.27 1cnp h LEU 34 Cb 0.92 -0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 40.94 1cnp h LEU 34 CO -0.46 0.51 0.36 0.11 -0.13 0.00 0.00 178.44 178.83 1cnp h LYS 35 N 0.04 0.69 -0.86 1.25 1.79 -0.25 -1.30 116.57 117.93 1cnp h LYS 35 Ca 0.05 -0.04 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 1cnp h LYS 35 Cb 0.36 -0.16 -0.08 0.00 -1.58 0.00 0.00 32.23 30.78 1cnp h LYS 35 CO 0.01 0.46 0.50 1.49 -1.08 0.00 0.00 179.45 180.82 1cnp h GLU 36 N 0.71 0.79 -0.40 3.15 4.81 -0.59 -0.56 114.58 122.48 1cnp h GLU 36 Ca 0.24 -0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.53 1cnp h GLU 36 Cb 0.02 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1cnp h GLU 36 CO -0.10 0.52 0.35 1.25 -0.73 0.00 0.00 179.01 180.31 1cnp h LEU 37 N 0.81 0.00 -1.53 1.64 6.46 0.71 0.86 115.31 124.25 1cnp h LEU 37 Ca 0.42 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.18 1cnp h LEU 37 Cb 0.42 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1cnp h LEU 37 CO -0.26 0.00 0.00 -0.29 -0.62 0.00 0.00 178.44 177.27 1cnp h ILE 38 N 0.00 0.00 0.00 4.05 2.10 -0.81 -3.35 117.51 119.50 1cnp h ILE 38 Ca 0.19 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 66.01 1cnp h ILE 38 Cb 0.90 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 37.46 1cnp h ILE 38 CO -0.00 0.00 0.00 1.67 -1.08 0.00 0.00 178.15 178.74 1cnp n GLN 39 N -2.51 0.00 -0.03 2.19 7.27 0.29 -4.41 117.38 120.19 1cnp n GLN 39 Ca -0.01 0.19 -0.02 0.00 0.07 0.00 0.00 57.00 57.23 1cnp n GLN 39 Cb 0.13 -0.70 -0.01 0.00 2.41 0.00 0.00 30.24 32.07 1cnp n GLN 39 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1cnp n LYS 40 N -0.39 0.18 0.26 3.69 3.00 -1.26 -4.52 118.16 119.12 1cnp n LYS 40 Ca 0.00 0.21 0.17 0.00 -0.00 0.00 0.00 58.31 58.69 1cnp n LYS 40 Cb 0.00 -0.96 0.72 0.00 0.00 0.00 0.00 35.03 34.79 1cnp n LYS 40 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1cnp h GLU 41 N -0.36 0.00 0.00 1.64 3.07 -1.84 0.71 114.58 117.80 1cnp h GLU 41 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1cnp h GLU 41 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1cnp h GLU 41 CO 0.00 0.00 0.00 -0.07 -1.40 0.00 0.00 179.01 177.54 1cnp h LEU 42 N 0.00 0.00 -1.64 1.33 -0.00 -1.77 -3.47 115.31 109.76 1cnp h LEU 42 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 57.88 57.29 1cnp h LEU 42 Cb 0.40 0.00 -0.28 0.00 -0.00 0.00 0.00 40.66 40.77 1cnp h LEU 42 CO 0.00 0.00 -0.88 0.41 -0.00 0.00 0.00 178.44 177.97 1cnp n THR 43 N -2.61 -0.46 0.17 0.22 -1.04 0.24 -4.80 114.28 106.00 1cnp n THR 43 Ca 0.04 -0.23 0.06 0.00 -2.04 0.00 0.00 64.05 61.88 1cnp n THR 43 Cb 0.40 -0.70 0.10 0.00 -1.82 0.00 0.00 70.33 68.32 1cnp n THR 43 CO 0.00 0.00 0.00 0.16 -0.64 0.00 0.00 175.07 174.59 1cnp h ILE 44 N -1.21 0.54 0.00 12.58 -0.00 -1.84 -3.48 117.51 124.10 1cnp h ILE 44 Ca -0.59 -1.73 0.00 0.00 -0.00 0.00 0.00 64.86 62.54 1cnp h ILE 44 Cb 1.31 2.24 0.00 0.00 -0.00 0.00 0.00 36.82 40.36 1cnp h ILE 44 CO 0.75 0.30 0.00 0.61 -0.00 0.00 0.00 178.15 179.82 1cnp n GLY 45 N 1.11 0.70 2.66 0.16 0.00 -1.26 -0.74 105.19 107.82 1cnp n GLY 45 Ca 0.03 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 1.77 -2.21 -4.32 1.61 7.64 -1.26 -4.93 113.62 111.91 1cnp n SER 46 Ca 0.00 -3.36 -0.33 0.00 1.01 0.00 0.00 58.87 56.19 1cnp n SER 46 Cb 0.00 1.48 -0.09 0.00 -1.01 0.00 0.00 64.21 64.60 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 1.14 -1.23 0.00 1.43 5.02 -1.04 -0.22 118.16 123.26 1cnp n LYS 47 Ca 0.10 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1cnp n LYS 47 Cb 0.64 -3.94 0.00 0.00 -0.02 0.00 0.00 35.03 31.71 1cnp n LYS 47 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1cnp n LEU 48 N -4.47 0.00 -3.41 -0.35 7.94 0.08 -3.56 117.00 113.23 1cnp n LEU 48 Ca -0.23 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.39 1cnp n LEU 48 Cb 0.65 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.49 1cnp n LEU 48 CO 0.86 0.00 -0.32 -1.58 -1.11 0.00 0.00 177.39 175.24 1cnp s GLN 49 N 0.00 0.81 0.51 1.96 0.74 -1.11 -4.99 119.66 117.58 1cnp s GLN 49 Ca 0.00 -1.92 -0.20 0.00 0.05 0.00 0.00 55.36 53.30 1cnp s GLN 49 Cb 0.00 -1.38 -0.11 0.00 1.10 0.00 0.00 33.01 32.62 1cnp s GLN 49 CO 0.00 -1.34 0.48 -3.47 -0.55 0.00 0.00 175.29 170.41 1cnp n ASP 50 N 3.14 -1.16 -3.59 6.67 2.03 0.70 -4.91 116.55 119.42 1cnp n ASP 50 Ca 0.25 0.80 -0.08 0.00 0.52 0.00 0.00 54.79 56.28 1cnp n ASP 50 Cb 0.45 -1.13 -0.05 0.00 -0.72 0.00 0.00 41.12 39.68 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 -1.65 -1.98 0.25 -1.67 0.00 -1.26 -4.97 121.76 110.48 1cnp s ALA 51 Ca 0.66 1.66 -0.04 0.00 0.00 0.00 0.00 51.96 54.24 1cnp s ALA 51 Cb -0.51 -0.91 0.40 0.00 0.00 0.00 0.00 23.12 22.10 1cnp s ALA 51 CO 0.57 -0.29 1.82 0.93 0.00 0.00 0.00 175.76 178.79 1cnp h GLU 52 N 2.44 0.84 -0.46 0.00 3.07 -1.99 0.55 114.58 119.03 1cnp h GLU 52 Ca -0.16 -0.05 0.08 0.00 -0.50 0.00 0.00 59.36 58.74 1cnp h GLU 52 Cb 1.17 -0.19 -0.07 0.00 -0.84 0.00 0.00 28.75 28.82 1cnp h GLU 52 CO 0.29 0.56 0.03 0.82 -1.40 0.00 0.00 179.01 179.30 1cnp h ILE 53 N 0.86 0.68 -0.37 3.13 5.03 -1.99 0.05 117.51 124.90 1cnp h ILE 53 Ca 0.40 -0.05 -0.10 0.00 -0.12 0.00 0.00 64.86 65.00 1cnp h ILE 53 Cb 0.33 0.52 -0.02 0.00 -3.03 0.00 0.00 36.82 34.62 1cnp h ILE 53 CO -0.23 0.03 -0.17 0.58 -0.68 0.00 0.00 178.15 177.67 1cnp h VAL 54 N 0.15 1.26 0.78 1.67 2.07 -0.42 0.23 116.25 121.99 1cnp h VAL 54 Ca 0.23 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1cnp h VAL 54 Cb 0.33 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1cnp h VAL 54 CO -0.36 0.41 -0.43 0.11 0.02 0.00 0.00 177.57 177.32 1cnp h LYS 55 N 0.62 -1.08 -0.70 1.57 1.57 -0.09 0.91 116.57 119.38 1cnp h LYS 55 Ca 0.10 0.07 0.15 0.00 -1.87 0.00 0.00 60.65 59.10 1cnp h LYS 55 Cb 0.64 0.24 -0.11 0.00 0.08 0.00 0.00 32.23 33.08 1cnp h LYS 55 CO 0.04 -0.72 0.11 -0.07 -0.57 0.00 0.00 179.45 178.25 1cnp h LEU 56 N -1.12 -0.09 0.12 2.94 4.07 -0.75 0.15 115.31 120.63 1cnp h LEU 56 Ca -0.10 0.15 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 1cnp h LEU 56 Cb 0.88 0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.84 1cnp h LEU 56 CO 0.14 -0.07 -0.07 0.24 -1.08 0.00 0.00 178.44 177.60 1cnp h MET 57 N 0.21 -0.17 0.00 1.13 2.86 -0.82 -3.34 114.93 114.81 1cnp h MET 57 Ca 0.38 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.04 1cnp h MET 57 Cb 0.65 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1cnp h MET 57 CO -0.52 -0.11 0.00 0.22 1.06 0.00 0.00 176.91 177.56 1cnp h ASP 58 N -0.17 0.00 0.00 1.22 3.58 -0.32 -1.92 116.42 118.80 1cnp h ASP 58 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1cnp h ASP 58 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1cnp h ASP 58 CO 0.02 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 176.85 1cnp n ASP 59 N -2.58 1.87 0.05 2.28 9.92 0.48 -4.52 116.55 124.05 1cnp n ASP 59 Ca 0.02 -1.22 0.22 0.00 -0.53 0.00 0.00 54.79 53.28 1cnp n ASP 59 Cb 0.28 -0.35 0.72 0.00 -0.64 0.00 0.00 41.12 41.14 1cnp n ASP 59 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1cnp h LEU 60 N 2.01 0.00 -1.96 0.64 5.85 -1.55 0.25 115.31 120.56 1cnp h LEU 60 Ca 0.00 0.00 0.41 0.00 0.84 0.00 0.00 57.88 59.13 1cnp h LEU 60 Cb 0.52 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 1cnp h LEU 60 CO 0.00 0.00 1.02 -2.24 -0.34 0.00 0.00 178.44 176.88 1cnp h ASP 61 N 0.00 0.02 -0.81 1.25 2.03 -1.88 0.49 116.42 117.53 1cnp h ASP 61 Ca 0.23 0.01 0.31 0.00 -0.73 0.00 0.00 57.03 56.85 1cnp h ASP 61 Cb 1.24 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.64 1cnp h ASP 61 CO -0.00 -0.00 0.49 -1.14 -1.03 0.00 0.00 179.24 177.55 1cnp n ARG 62 N -4.14 -0.03 -0.30 4.15 0.63 0.89 -1.19 116.66 116.67 1cnp n ARG 62 Ca 0.32 0.89 0.28 0.00 -0.92 0.00 0.00 57.85 58.42 1cnp n ARG 62 Cb 1.47 -1.68 0.53 0.00 0.45 0.00 0.00 32.46 33.23 1cnp n ARG 62 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1cnp n ASN 63 N -4.28 0.29 -2.42 6.15 0.23 0.16 -0.41 115.26 114.97 1cnp n ASN 63 Ca 0.27 1.56 -0.18 0.00 -0.53 0.00 0.00 54.58 55.69 1cnp n ASN 63 Cb 0.97 -0.74 0.02 0.00 -2.08 0.00 0.00 39.78 37.95 1cnp n ASN 63 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1cnp n LYS 64 N -5.14 2.80 -4.16 -3.83 4.81 -0.94 -4.94 118.16 106.75 1cnp n LYS 64 Ca 0.34 -4.00 -0.39 0.00 -0.87 0.00 0.00 58.31 53.39 1cnp n LYS 64 Cb 1.16 -1.97 -0.03 0.00 0.02 0.00 0.00 35.03 34.21 1cnp n LYS 64 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1cnp n ASP 65 N -0.51 -1.86 0.00 3.14 2.03 0.45 -3.37 116.55 116.43 1cnp n ASP 65 Ca 0.30 -1.27 0.00 0.00 0.52 0.00 0.00 54.79 54.34 1cnp n ASP 65 Cb 0.82 -1.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 1cnp n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cnp n GLN 66 N -4.82 0.00 -1.91 -0.67 6.02 -0.33 -4.81 117.38 110.86 1cnp n GLN 66 Ca -0.21 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.35 1cnp n GLN 66 Cb 0.63 -1.17 -0.03 0.00 1.02 0.00 0.00 30.24 30.69 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 0.00 3.71 0.04 -1.09 8.01 -1.22 -3.60 118.70 124.54 1cnp s GLU 67 Ca 0.00 1.92 0.08 0.00 0.01 0.00 0.00 54.97 56.98 1cnp s GLU 67 Cb 0.00 -4.14 -0.03 0.00 -4.31 0.00 0.00 34.13 25.66 1cnp s GLU 67 CO 0.00 -1.42 -0.24 0.08 0.01 0.00 0.00 175.26 173.70 1cnp s VAL 68 N 5.77 1.90 0.50 2.63 1.01 0.33 -4.72 120.40 127.81 1cnp s VAL 68 Ca 0.81 -1.25 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1cnp s VAL 68 Cb -0.30 -1.63 0.03 0.00 0.00 0.00 0.00 36.38 34.48 1cnp s VAL 68 CO 0.33 0.32 0.48 0.54 0.00 0.00 0.00 175.10 176.78 1cnp s ASN 69 N -1.11 4.92 0.17 3.32 2.20 -1.26 -0.59 114.94 122.59 1cnp s ASN 69 Ca 0.10 -0.94 -0.20 0.00 -0.94 0.00 0.00 52.86 50.87 1cnp s ASN 69 Cb -0.09 -0.01 0.09 0.00 -2.00 0.00 0.00 41.25 39.23 1cnp s ASN 69 CO 0.01 -0.98 1.63 0.15 -2.94 0.00 0.00 177.10 174.98 1cnp h PHE 70 N 0.73 -0.56 -0.05 1.54 3.04 -1.98 -0.53 116.94 119.12 1cnp h PHE 70 Ca -0.37 0.05 0.03 0.00 3.98 0.00 0.00 57.97 61.66 1cnp h PHE 70 Cb 1.29 0.31 -0.04 0.00 2.56 0.00 0.00 35.95 40.07 1cnp h PHE 70 CO 0.67 -0.30 -0.15 0.37 -2.02 0.00 0.00 178.31 176.88 1cnp h GLN 71 N -0.15 -0.22 0.43 1.11 -0.00 -1.98 0.16 115.11 114.47 1cnp h GLN 71 Ca 0.19 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.84 1cnp h GLN 71 Cb 0.45 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.96 1cnp h GLN 71 CO -0.48 -0.15 -0.31 0.93 0.00 0.00 0.00 178.83 178.82 1cnp h GLU 72 N -0.23 -0.70 -0.59 1.69 5.08 -1.86 0.13 114.58 118.10 1cnp h GLU 72 Ca 0.07 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1cnp h GLU 72 Cb 0.31 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.62 1cnp h GLU 72 CO -0.18 -0.47 -0.49 -0.92 -1.00 0.00 0.00 179.01 175.96 1cnp h TYR 73 N -0.73 -1.47 0.00 4.33 3.20 -0.75 0.46 116.97 122.02 1cnp h TYR 73 Ca -0.04 0.09 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 1cnp h TYR 73 Cb 0.62 0.72 -0.01 0.00 1.54 0.00 0.00 36.73 39.60 1cnp h TYR 73 CO -0.13 -0.44 -0.37 0.97 -1.64 0.00 0.00 178.16 176.55 1cnp h ILE 74 N -0.24 0.76 -0.45 1.81 6.09 -0.52 -1.71 117.51 123.25 1cnp h ILE 74 Ca 0.15 -1.65 -0.03 0.00 -1.37 0.00 0.00 64.86 61.96 1cnp h ILE 74 Cb 0.56 2.07 -0.02 0.00 0.47 0.00 0.00 36.82 39.89 1cnp h ILE 74 CO -0.70 0.36 0.16 0.74 -3.07 0.00 0.00 178.15 175.64 1cnp h THR 75 N 0.00 1.22 -0.10 2.19 2.02 0.18 0.35 112.91 118.76 1cnp h THR 75 Ca -0.00 -0.70 0.02 0.00 0.77 0.00 0.00 66.41 66.50 1cnp h THR 75 Cb 1.04 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1cnp h THR 75 CO 0.05 0.25 -0.02 0.15 0.37 0.00 0.00 175.52 176.33 1cnp h PHE 76 N 0.59 -0.03 -0.05 3.16 3.57 -0.16 0.17 116.94 124.19 1cnp h PHE 76 Ca 0.15 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1cnp h PHE 76 Cb 0.24 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1cnp h PHE 76 CO 0.01 -0.03 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.87 1cnp h LEU 77 N 0.01 -0.36 -0.99 0.59 4.07 -1.30 -3.17 115.31 114.17 1cnp h LEU 77 Ca 0.05 0.06 0.18 0.00 0.08 0.00 0.00 57.88 58.25 1cnp h LEU 77 Cb 0.07 0.16 -0.18 0.00 1.08 0.00 0.00 40.66 41.79 1cnp h LEU 77 CO -0.09 -0.17 -0.30 1.23 -1.08 0.00 0.00 178.44 178.03 1cnp h GLY 78 N -0.18 0.48 0.74 0.83 0.00 0.99 0.35 103.07 106.28 1cnp h GLY 78 Ca 0.06 0.40 0.10 0.00 0.00 0.00 0.00 47.33 47.89 1cnp h GLY 78 CO -0.16 -0.31 0.55 0.00 0.00 0.00 0.00 176.54 176.62 1cnp h ALA 79 N 1.76 1.71 0.00 3.60 0.00 -0.68 -1.79 119.26 123.87 1cnp h ALA 79 Ca 0.43 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.19 1cnp h ALA 79 Cb 0.68 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1cnp h ALA 79 CO -1.00 0.11 -1.42 1.28 0.00 0.00 0.00 179.25 178.22 1cnp n LEU 80 N -4.52 0.80 -0.36 0.00 4.77 0.15 -4.72 117.00 113.11 1cnp n LEU 80 Ca 0.15 0.35 -0.08 0.00 -0.03 0.00 0.00 56.01 56.39 1cnp n LEU 80 Cb 0.33 0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 1cnp n LEU 80 CO 0.31 0.11 0.42 0.00 -1.33 0.00 0.00 177.39 176.91 1cnp n ALA 81 N -2.38 -0.50 0.33 -1.18 0.00 0.99 -0.35 120.51 117.43 1cnp n ALA 81 Ca -0.09 0.75 0.11 0.00 0.00 0.00 0.00 53.44 54.21 1cnp n ALA 81 Cb 0.81 -0.15 0.51 0.00 0.00 0.00 0.00 19.45 20.62 1cnp n ALA 81 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1cnp n MET 82 N -5.10 0.18 -0.02 0.00 2.81 -1.26 -2.35 117.12 111.38 1cnp n MET 82 Ca 0.03 0.48 -0.01 0.00 -1.81 0.00 0.00 57.70 56.38 1cnp n MET 82 Cb 0.24 -1.89 -0.00 0.00 -0.71 0.00 0.00 33.22 30.85 1cnp n MET 82 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1cnp n ILE 83 N -2.23 0.31 0.79 2.02 2.08 0.53 -4.68 119.36 118.19 1cnp n ILE 83 Ca 0.01 0.44 0.00 0.00 0.56 0.00 0.00 62.75 63.76 1cnp n ILE 83 Cb 0.17 -1.69 0.00 0.00 -0.75 0.00 0.00 39.64 37.37 1cnp n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1cnp n TYR 84 N -2.79 0.00 0.00 1.39 4.11 0.02 -4.89 117.16 114.99 1cnp n TYR 84 Ca -0.02 -0.50 0.00 0.00 -0.00 0.00 0.00 57.90 57.38 1cnp n TYR 84 Cb 0.06 -0.26 0.00 0.00 -0.00 0.00 0.00 39.34 39.15 1cnp n TYR 84 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1cnp n ASN 85 N 0.63 0.00 -3.85 9.48 5.03 -0.99 -4.52 115.26 121.04 1cnp n ASN 85 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 1cnp n ASN 85 Cb 0.46 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.17 1cnp n ASN 85 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1cnp n GLU 86 N -0.00 1.85 0.00 3.52 2.13 -1.26 -1.66 120.64 125.21 1cnp n GLU 86 Ca 0.00 -2.16 0.00 0.00 0.66 0.00 0.00 57.16 55.66 1cnp n GLU 86 Cb 0.00 -3.14 0.00 0.00 0.27 0.00 0.00 31.44 28.57 1cnp n GLU 86 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1cnp n ALA 87 N 8.40 0.00 0.27 4.31 0.00 -1.26 -4.88 120.51 127.34 1cnp n ALA 87 Ca 0.49 0.00 0.07 0.00 0.00 0.00 0.00 53.44 54.00 1cnp n ALA 87 Cb 0.41 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.24 1cnp n ALA 87 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1cnp h LEU 88 N 0.00 0.00 -2.16 0.00 4.07 -1.59 -3.46 115.31 112.17 1cnp h LEU 88 Ca 0.00 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.74 1cnp h LEU 88 Cb 0.00 0.00 0.14 0.00 1.08 0.00 0.00 40.66 41.88 1cnp h LEU 88 CO 0.00 0.00 -0.61 2.29 -1.08 0.00 0.00 178.44 179.04 1cnp n LYS 89 N -2.41 -3.33 0.00 1.13 2.85 -1.26 -5.20 118.16 109.93 1cnp n LYS 89 Ca -0.01 0.64 0.05 0.00 -1.05 0.00 0.00 58.31 57.94 1cnp n LYS 89 Cb 0.58 -4.89 0.28 0.00 -0.65 0.00 0.00 35.03 30.35 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76