#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 -3.53 -5.12 0.00 -1.26 -5.13 120.51 105.48 1cnp n ALA 2 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1cnp n ALA 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1cnp n ALA 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1cnp s SER 3 N -0.98 -0.64 0.31 0.00 0.15 -1.26 -5.03 113.70 106.25 1cnp s SER 3 Ca 0.00 0.93 0.08 0.00 0.70 0.00 0.00 55.95 57.66 1cnp s SER 3 Cb 0.00 1.57 0.89 0.00 -1.71 0.00 0.00 66.02 66.77 1cnp s SER 3 CO 0.00 -0.14 1.65 -0.65 1.20 0.00 0.00 173.24 175.30 1cnp h PRO 4 N 7.05 0.23 0.68 5.44 0.11 -2.00 -0.34 132.00 143.17 1cnp h PRO 4 Ca -0.21 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 1cnp h PRO 4 Cb 1.15 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.21 1cnp h PRO 4 CO 0.13 0.15 -0.32 1.25 -0.21 0.00 0.00 178.00 178.99 1cnp h LEU 5 N 0.24 -0.77 -0.57 2.35 5.85 -1.98 0.14 115.31 120.57 1cnp h LEU 5 Ca 0.64 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.46 1cnp h LEU 5 Cb 1.40 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.56 1cnp h LEU 5 CO -0.66 -0.53 0.22 -0.78 -0.34 0.00 0.00 178.44 176.36 1cnp h ASP 6 N -0.94 0.24 0.21 1.25 3.58 -1.68 0.72 116.42 119.79 1cnp h ASP 6 Ca -0.09 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1cnp h ASP 6 Cb 0.71 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.80 1cnp h ASP 6 CO 0.15 0.15 -0.10 1.56 -2.88 0.00 0.00 179.24 178.13 1cnp h GLN 7 N 0.41 -0.27 0.24 0.28 7.50 -1.05 0.17 115.11 122.39 1cnp h GLN 7 Ca 0.28 0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.45 1cnp h GLN 7 Cb 0.31 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.89 1cnp h GLN 7 CO -0.27 0.02 -0.20 0.00 -1.50 0.00 0.00 178.83 176.88 1cnp h ALA 8 N 0.16 -0.44 -0.16 3.87 0.00 -0.34 0.19 119.26 122.53 1cnp h ALA 8 Ca -0.03 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1cnp h ALA 8 Cb 0.41 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1cnp h ALA 8 CO 0.05 -0.77 -0.09 0.82 0.00 0.00 0.00 179.25 179.25 1cnp h ILE 9 N -0.46 0.71 -0.88 0.00 1.08 -0.96 -2.25 117.51 114.75 1cnp h ILE 9 Ca -0.01 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.62 1cnp h ILE 9 Cb 0.42 0.71 -0.16 0.00 -3.07 0.00 0.00 36.82 34.72 1cnp h ILE 9 CO -0.02 0.00 -0.29 1.23 -0.69 0.00 0.00 178.15 178.37 1cnp h GLY 10 N -0.08 0.36 1.19 5.37 0.00 0.15 0.35 103.07 110.41 1cnp h GLY 10 Ca 0.09 0.39 0.10 0.00 0.00 0.00 0.00 47.33 47.91 1cnp h GLY 10 CO -0.22 -0.28 0.31 1.41 0.00 0.00 0.00 176.54 177.76 1cnp h LEU 11 N -0.03 0.00 -1.03 3.11 3.38 -0.02 0.29 115.31 121.02 1cnp h LEU 11 Ca 0.37 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.36 1cnp h LEU 11 Cb 0.62 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1cnp h LEU 11 CO -0.91 0.00 0.66 -0.07 0.09 0.00 0.00 178.44 178.21 1cnp h LEU 12 N 0.00 1.13 0.03 1.67 -0.00 -0.91 0.14 115.31 117.37 1cnp h LEU 12 Ca 0.16 -0.03 -0.24 0.00 -0.00 0.00 0.00 57.88 57.77 1cnp h LEU 12 Cb 0.78 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 41.13 1cnp h LEU 12 CO -0.00 0.81 -1.23 0.40 -0.00 0.00 0.00 178.44 178.42 1cnp h ILE 13 N 1.33 1.46 0.23 1.22 2.04 -0.94 -3.25 117.51 119.59 1cnp h ILE 13 Ca 0.37 -3.17 0.01 0.00 1.00 0.00 0.00 64.86 63.07 1cnp h ILE 13 Cb -0.12 2.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 1cnp h ILE 13 CO -0.09 0.85 -0.30 1.23 0.00 0.00 0.00 178.15 179.84 1cnp h GLY 14 N 2.79 -0.64 0.10 5.37 0.00 0.19 0.12 103.07 110.99 1cnp h GLY 14 Ca -0.11 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1cnp h GLY 14 CO 0.13 -0.25 -0.22 -2.22 0.00 0.00 0.00 176.54 173.98 1cnp h ILE 15 N -0.59 0.00 -0.20 2.60 1.08 -0.91 -0.11 117.51 119.38 1cnp h ILE 15 Ca 0.00 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 1cnp h ILE 15 Cb 0.57 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.29 1cnp h ILE 15 CO -0.11 0.00 -0.12 0.33 -0.69 0.00 0.00 178.15 177.56 1cnp n PHE 16 N -3.69 -0.09 1.00 1.37 7.35 -1.17 -0.62 117.46 121.60 1cnp n PHE 16 Ca -0.04 0.25 0.12 0.00 -0.76 0.00 0.00 57.45 57.03 1cnp n PHE 16 Cb 0.18 -0.37 0.58 0.00 0.35 0.00 0.00 39.48 40.22 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 -3.42 0.00 -0.27 -5.13 8.25 0.40 -2.36 115.22 112.69 1cnp n HIS 17 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1cnp n HIS 17 Cb 0.05 -0.41 0.12 0.00 1.12 0.00 0.00 29.99 30.88 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 0.79 0.00 -0.41 3.11 0.11 -1.64 116.57 118.52 1cnp h LYS 18 Ca 0.00 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1cnp h LYS 18 Cb 0.35 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 1cnp h LYS 18 CO 0.00 0.52 0.00 0.66 -2.81 0.00 0.00 179.45 177.82 1cnp n TYR 19 N -4.71 0.00 1.03 1.91 4.01 -1.00 -1.39 117.16 117.01 1cnp n TYR 19 Ca 0.11 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.97 1cnp n TYR 19 Cb 0.19 0.00 0.36 0.00 -0.31 0.00 0.00 39.34 39.58 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 -0.81 0.40 -0.04 7.72 7.64 -0.62 -3.11 113.62 124.80 1cnp n SER 20 Ca 0.10 -0.11 -0.08 0.00 1.01 0.00 0.00 58.87 59.79 1cnp n SER 20 Cb 0.05 0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 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 5.00 -0.11 0.00 0.23 0.00 -1.36 -3.43 103.07 103.39 1cnp h GLY 21 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1cnp h GLY 21 CO 0.00 -0.19 0.00 0.28 0.00 0.00 0.00 176.54 176.63 1cnp n LYS 22 N -5.36 3.73 -2.44 4.80 5.02 -1.26 -4.93 118.16 117.71 1cnp n LYS 22 Ca -0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.85 1cnp n LYS 22 Cb 0.27 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.26 1cnp n LYS 22 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1cnp s GLU 23 N 0.50 3.86 0.00 1.97 8.01 -1.26 -4.78 118.70 127.00 1cnp s GLU 23 Ca 0.00 1.14 0.00 0.00 0.01 0.00 0.00 54.97 56.12 1cnp s GLU 23 Cb 0.00 -3.89 0.00 0.00 -4.31 0.00 0.00 34.13 25.93 1cnp s GLU 23 CO 0.00 -1.19 0.00 0.41 0.01 0.00 0.00 175.26 174.49 1cnp n GLY 24 N 4.44 0.98 2.22 -1.39 0.00 -1.26 -4.80 105.19 105.38 1cnp n GLY 24 Ca 0.15 -1.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 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 1.37 -1.65 0.00 1.61 -0.08 -1.26 -5.00 116.55 111.54 1cnp n ASP 25 Ca 0.00 -0.93 0.00 0.00 -1.51 0.00 0.00 54.79 52.35 1cnp n ASP 25 Cb 0.00 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 42.82 1cnp n ASP 25 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1cnp n LYS 26 N -3.59 2.03 0.03 -0.67 4.01 -1.26 -4.67 118.16 114.05 1cnp n LYS 26 Ca 0.10 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.81 1cnp n LYS 26 Cb 0.37 -0.54 0.06 0.00 -0.51 0.00 0.00 35.03 34.40 1cnp n LYS 26 CO 0.00 0.00 0.00 1.12 -1.11 0.00 0.00 177.40 177.41 1cnp h HIS 27 N 0.00 0.58 -1.25 2.13 2.07 -1.97 -3.44 115.15 113.28 1cnp h HIS 27 Ca 0.00 -0.23 -0.46 0.00 -2.85 0.00 0.00 60.37 56.84 1cnp h HIS 27 Cb 0.06 -0.10 0.01 0.00 2.57 0.00 0.00 27.41 29.95 1cnp h HIS 27 CO 0.00 0.96 -0.24 0.95 -3.07 0.00 0.00 177.93 176.53 1cnp s THR 28 N -3.82 2.67 0.55 6.12 -4.23 -1.26 -4.88 115.64 110.79 1cnp s THR 28 Ca -0.06 -1.07 0.04 0.00 -1.18 0.00 0.00 61.69 59.41 1cnp s THR 28 Cb 0.11 -2.75 0.04 0.00 1.34 0.00 0.00 72.50 71.24 1cnp s THR 28 CO 0.83 0.00 0.32 0.00 -0.54 0.00 0.00 174.62 175.23 1cnp n LEU 29 N -1.90 0.00 -4.64 4.79 -0.00 0.20 -4.61 117.00 110.84 1cnp n LEU 29 Ca 0.09 -2.98 -0.32 0.00 -0.00 0.00 0.00 56.01 52.80 1cnp n LEU 29 Cb 0.60 0.05 -0.10 0.00 -0.00 0.00 0.00 43.42 43.98 1cnp n LEU 29 CO 0.40 -0.56 -0.35 -0.55 -0.00 0.00 0.00 177.39 176.32 1cnp s SER 30 N -4.17 4.87 0.34 1.45 0.15 -1.18 -3.12 113.70 112.04 1cnp s SER 30 Ca 0.24 -0.08 0.05 0.00 0.70 0.00 0.00 55.95 56.86 1cnp s SER 30 Cb -0.02 -1.20 0.68 0.00 -1.71 0.00 0.00 66.02 63.77 1cnp s SER 30 CO 0.15 0.28 1.92 0.07 1.20 0.00 0.00 173.24 176.86 1cnp h LYS 31 N 4.41 0.82 0.39 5.44 2.10 -1.91 0.19 116.57 128.01 1cnp h LYS 31 Ca -0.49 -0.05 -0.02 0.00 -2.00 0.00 0.00 60.65 58.10 1cnp h LYS 31 Cb 1.17 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1cnp h LYS 31 CO 0.55 0.54 -0.19 0.87 -2.00 0.00 0.00 179.45 179.23 1cnp h LYS 32 N 0.84 -0.50 -0.83 0.07 1.57 -1.93 -1.67 116.57 114.11 1cnp h LYS 32 Ca 0.38 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1cnp h LYS 32 Cb 0.36 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1cnp h LYS 32 CO -0.15 -0.26 0.52 0.93 -0.57 0.00 0.00 179.45 179.92 1cnp h GLU 33 N -0.65 1.12 -1.00 3.15 3.07 -1.76 0.07 114.58 118.59 1cnp h GLU 33 Ca -0.05 -0.09 0.21 0.00 -0.50 0.00 0.00 59.36 58.92 1cnp h GLU 33 Cb 0.47 -0.24 -0.10 0.00 -0.84 0.00 0.00 28.75 28.04 1cnp h GLU 33 CO 0.09 0.77 0.62 1.25 -1.40 0.00 0.00 179.01 180.34 1cnp h LEU 34 N 1.14 0.69 -0.82 1.33 5.85 -0.74 0.32 115.31 123.08 1cnp h LEU 34 Ca 0.30 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.11 1cnp h LEU 34 Cb -0.08 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1cnp h LEU 34 CO -0.06 0.22 0.00 0.11 -0.34 0.00 0.00 178.44 178.37 1cnp h LYS 35 N 0.65 0.00 0.09 1.25 1.57 -0.02 -0.31 116.57 119.81 1cnp h LYS 35 Ca 0.58 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 59.09 1cnp h LYS 35 Cb 1.05 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.38 1cnp h LYS 35 CO -0.36 0.00 -1.08 1.49 -0.57 0.00 0.00 179.45 178.94 1cnp h GLU 36 N 0.00 0.57 0.29 3.15 4.22 -0.19 -3.38 114.58 119.25 1cnp h GLU 36 Ca 0.00 -0.74 -0.01 0.00 0.08 0.00 0.00 59.36 58.70 1cnp h GLU 36 Cb 0.54 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1cnp h GLU 36 CO 0.00 1.32 -0.31 1.25 -2.18 0.00 0.00 179.01 179.09 1cnp h LEU 37 N 0.17 -0.87 -0.91 1.64 6.46 0.02 -3.24 115.31 118.58 1cnp h LEU 37 Ca -0.16 0.07 0.26 0.00 -0.12 0.00 0.00 57.88 57.93 1cnp h LEU 37 Cb 1.77 0.29 -0.15 0.00 -0.73 0.00 0.00 40.66 41.84 1cnp h LEU 37 CO 0.21 -0.41 0.25 -0.29 -0.62 0.00 0.00 178.44 177.58 1cnp h ILE 38 N -0.61 0.25 -0.32 4.05 2.10 -1.27 -1.75 117.51 119.96 1cnp h ILE 38 Ca -0.04 -0.06 0.06 0.00 1.08 0.00 0.00 64.86 65.90 1cnp h ILE 38 Cb 0.53 0.06 -0.05 0.00 -1.09 0.00 0.00 36.82 36.28 1cnp h ILE 38 CO -0.05 0.03 0.01 1.56 -1.08 0.00 0.00 178.15 178.62 1cnp h GLN 39 N 0.17 0.10 0.00 2.19 4.20 -1.73 -3.30 115.11 116.75 1cnp h GLN 39 Ca 0.59 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.29 1cnp h GLN 39 Cb 1.24 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1cnp h GLN 39 CO -0.70 0.07 0.00 1.63 -0.67 0.00 0.00 178.83 179.16 1cnp n LYS 40 N -5.16 0.00 -0.25 1.46 4.01 -0.67 -4.43 118.16 113.13 1cnp n LYS 40 Ca 0.01 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.86 1cnp n LYS 40 Cb 0.16 -0.06 0.19 0.00 -0.51 0.00 0.00 35.03 34.81 1cnp n LYS 40 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1cnp h GLU 41 N 0.00 0.34 0.00 1.97 3.07 -1.75 0.26 114.58 118.47 1cnp h GLU 41 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1cnp h GLU 41 Cb 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 1cnp h GLU 41 CO 0.00 0.23 0.00 1.28 -1.40 0.00 0.00 179.01 179.12 1cnp n LEU 42 N -5.08 0.00 -2.15 1.33 4.77 -1.24 -4.84 117.00 109.79 1cnp n LEU 42 Ca 0.14 0.08 -0.18 0.00 -0.03 0.00 0.00 56.01 56.02 1cnp n LEU 42 Cb 0.44 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1cnp n LEU 42 CO 0.15 -0.04 -0.15 0.41 -1.33 0.00 0.00 177.39 176.44 1cnp n THR 43 N -1.08 -1.11 -0.16 -5.08 -1.04 0.08 -4.88 114.28 101.02 1cnp n THR 43 Ca 0.10 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.12 1cnp n THR 43 Cb 0.07 -2.72 0.28 0.00 -1.82 0.00 0.00 70.33 66.14 1cnp n THR 43 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1cnp h ILE 44 N -0.39 1.18 -1.07 12.58 6.09 -1.77 -2.80 117.51 131.31 1cnp h ILE 44 Ca -0.42 -0.36 0.31 0.00 -1.37 0.00 0.00 64.86 63.02 1cnp h ILE 44 Cb 1.30 0.23 -0.12 0.00 0.47 0.00 0.00 36.82 38.70 1cnp h ILE 44 CO 0.48 0.18 0.66 1.23 -3.07 0.00 0.00 178.15 177.62 1cnp h GLY 45 N 0.91 1.63 1.92 8.18 0.00 -1.89 -0.37 103.07 113.46 1cnp h GLY 45 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1cnp h GLY 45 CO -0.05 -0.32 0.03 1.44 0.00 0.00 0.00 176.54 177.64 1cnp n SER 46 N -4.82 0.30 0.06 0.19 7.64 -1.06 -0.67 113.62 115.26 1cnp n SER 46 Ca 0.30 0.63 0.05 0.00 1.01 0.00 0.00 58.87 60.85 1cnp n SER 46 Cb 0.99 -0.66 0.47 0.00 -1.01 0.00 0.00 64.21 64.01 1cnp n SER 46 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1cnp h LYS 47 N 0.00 0.42 0.00 1.43 3.64 -1.28 -3.47 116.57 117.31 1cnp h LYS 47 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1cnp h LYS 47 Cb 0.05 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1cnp h LYS 47 CO 0.00 0.28 0.00 1.28 -2.27 0.00 0.00 179.45 178.74 1cnp n LEU 48 N -4.49 0.00 -2.44 5.20 4.77 0.16 -4.51 117.00 115.69 1cnp n LEU 48 Ca 0.02 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.80 1cnp n LEU 48 Cb 0.07 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.04 1cnp n LEU 48 CO 0.35 0.00 2.17 1.67 -1.33 0.00 0.00 177.39 180.25 1cnp n GLN 49 N 0.00 2.49 -0.90 3.23 -0.06 -1.26 -4.86 117.38 116.02 1cnp n GLN 49 Ca 0.00 -1.36 -0.09 0.00 -2.00 0.00 0.00 57.00 53.55 1cnp n GLN 49 Cb 0.00 -2.25 0.06 0.00 -4.06 0.00 0.00 30.24 23.99 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 2.87 0.21 -3.64 1.69 -0.08 -1.26 -5.06 116.55 111.28 1cnp n ASP 50 Ca 0.53 -1.25 -0.02 0.00 -1.51 0.00 0.00 54.79 52.54 1cnp n ASP 50 Cb 0.68 -0.29 -0.03 0.00 2.34 0.00 0.00 41.12 43.82 1cnp n ASP 50 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cnp s ALA 51 N -3.54 -2.17 0.17 -1.67 0.00 -1.26 -4.94 121.76 108.35 1cnp s ALA 51 Ca 0.24 1.88 -0.22 0.00 0.00 0.00 0.00 51.96 53.86 1cnp s ALA 51 Cb -0.01 -0.66 0.07 0.00 0.00 0.00 0.00 23.12 22.53 1cnp s ALA 51 CO 0.16 -0.47 1.60 1.05 0.00 0.00 0.00 175.76 178.10 1cnp h GLU 52 N 2.01 -0.22 -0.38 0.00 9.09 -2.00 0.40 114.58 123.48 1cnp h GLU 52 Ca -0.04 0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.37 1cnp h GLU 52 Cb 1.14 0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 28.28 1cnp h GLU 52 CO 0.20 -0.15 0.20 -0.84 0.05 0.00 0.00 179.01 178.47 1cnp h ILE 53 N -0.23 1.13 -0.21 -1.06 3.07 -1.98 0.25 117.51 118.48 1cnp h ILE 53 Ca 0.19 -0.34 -0.14 0.00 1.55 0.00 0.00 64.86 66.11 1cnp h ILE 53 Cb 0.54 0.62 -0.01 0.00 -0.27 0.00 0.00 36.82 37.70 1cnp h ILE 53 CO -0.56 0.14 -0.47 0.58 -1.05 0.00 0.00 178.15 176.79 1cnp h VAL 54 N 0.53 1.31 -0.67 0.16 2.07 -1.35 0.32 116.25 118.63 1cnp h VAL 54 Ca 0.14 -1.67 -0.08 0.00 0.82 0.00 0.00 66.70 65.90 1cnp h VAL 54 Cb 0.04 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1cnp h VAL 54 CO -0.02 0.52 0.09 0.50 0.02 0.00 0.00 177.57 178.69 1cnp h LYS 55 N 0.44 1.11 -0.33 1.57 1.63 0.50 0.23 116.57 121.72 1cnp h LYS 55 Ca 0.03 -0.30 0.06 0.00 -0.85 0.00 0.00 60.65 59.58 1cnp h LYS 55 Cb 0.98 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 32.44 1cnp h LYS 55 CO 0.09 1.02 0.02 1.25 -3.45 0.00 0.00 179.45 178.38 1cnp h LEU 56 N 1.04 -0.10 -0.95 5.20 6.46 -0.65 -1.85 115.31 124.46 1cnp h LEU 56 Ca 0.20 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 58.08 1cnp h LEU 56 Cb 0.46 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.45 1cnp h LEU 56 CO 0.02 -0.01 0.61 -0.03 -0.62 0.00 0.00 178.44 178.41 1cnp h MET 57 N 0.11 1.11 0.00 1.25 4.05 -0.09 -0.95 114.93 120.42 1cnp h MET 57 Ca 0.16 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1cnp h MET 57 Cb 0.21 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1cnp h MET 57 CO -0.25 0.74 0.00 -0.25 0.23 0.00 0.00 176.91 177.38 1cnp n ASP 58 N -4.52 0.00 -0.90 1.39 8.00 0.74 -3.36 116.55 117.91 1cnp n ASP 58 Ca 0.14 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.17 1cnp n ASP 58 Cb 0.14 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.02 1.15 0.24 -2.24 2.03 -0.36 -4.33 116.55 112.02 1cnp n ASP 59 Ca 0.12 -0.89 0.18 0.00 0.52 0.00 0.00 54.79 54.71 1cnp n ASP 59 Cb 0.06 -0.22 0.88 0.00 -0.72 0.00 0.00 41.12 41.11 1cnp n ASP 59 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1cnp h LEU 60 N 1.35 0.00 -1.94 -2.67 3.38 -1.81 0.17 115.31 113.78 1cnp h LEU 60 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1cnp h LEU 60 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1cnp h LEU 60 CO 0.00 0.00 0.41 -2.24 0.09 0.00 0.00 178.44 176.70 1cnp h ASP 61 N 0.00 0.00 0.00 -0.43 2.03 -1.93 0.50 116.42 116.59 1cnp h ASP 61 Ca 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 1cnp h ASP 61 Cb 0.50 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.00 1cnp h ASP 61 CO -0.00 0.00 0.30 0.08 -1.03 0.00 0.00 179.24 178.59 1cnp h ARG 62 N 0.00 0.00 -0.28 4.15 0.11 -1.02 -3.26 114.38 114.08 1cnp h ARG 62 Ca 0.10 0.00 0.03 0.00 0.10 0.00 0.00 59.98 60.20 1cnp h ARG 62 Cb 0.91 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.96 1cnp h ARG 62 CO -0.00 0.00 -0.17 -1.71 0.10 0.00 0.00 179.97 178.19 1cnp n ASN 63 N -2.64 -0.30 0.07 0.08 5.15 0.17 -4.59 115.26 113.20 1cnp n ASN 63 Ca -0.02 0.62 0.00 0.00 -0.60 0.00 0.00 54.58 54.58 1cnp n ASN 63 Cb 0.34 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.46 1cnp n ASN 63 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1cnp n LYS 64 N -3.86 0.00 -0.10 1.20 0.00 -1.26 -5.00 118.16 109.14 1cnp n LYS 64 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 1cnp n LYS 64 Cb 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.06 1cnp n LYS 64 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1cnp h ASP 65 N 0.00 0.65 0.00 -5.58 3.32 -1.81 -3.46 116.42 109.54 1cnp h ASP 65 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1cnp h ASP 65 Cb 0.00 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1cnp h ASP 65 CO 0.00 0.92 0.00 0.00 -1.72 0.00 0.00 179.24 178.44 1cnp n GLN 66 N -4.39 0.00 -1.41 3.56 6.02 -1.23 -4.49 117.38 115.43 1cnp n GLN 66 Ca -0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.54 1cnp n GLN 66 Cb 0.38 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.60 1cnp n GLN 66 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1cnp n GLU 67 N 0.00 1.89 -1.20 -1.09 4.71 -1.26 -3.46 120.64 120.22 1cnp n GLU 67 Ca 0.00 -2.12 -0.34 0.00 -0.01 0.00 0.00 57.16 54.69 1cnp n GLU 67 Cb 0.00 -3.09 0.12 0.00 -1.01 0.00 0.00 31.44 27.46 1cnp n GLU 67 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1cnp n VAL 68 N 5.95 2.49 -3.35 2.62 0.24 -1.18 -4.25 118.33 120.85 1cnp n VAL 68 Ca 0.50 -0.25 -0.21 0.00 -2.04 0.00 0.00 64.34 62.33 1cnp n VAL 68 Cb 0.41 -1.25 0.03 0.00 -1.47 0.00 0.00 33.84 31.56 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 -2.01 5.00 0.13 -1.34 2.20 -1.26 -0.63 114.94 117.04 1cnp s ASN 69 Ca 0.75 -0.92 -0.19 0.00 -0.94 0.00 0.00 52.86 51.56 1cnp s ASN 69 Cb -0.31 0.15 -0.01 0.00 -2.00 0.00 0.00 41.25 39.09 1cnp s ASN 69 CO 0.49 -1.14 1.74 0.15 -2.94 0.00 0.00 177.10 175.40 1cnp h PHE 70 N 0.49 0.11 -0.77 1.54 3.57 -1.98 0.04 116.94 119.93 1cnp h PHE 70 Ca -0.34 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.27 1cnp h PHE 70 Cb 1.29 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.94 1cnp h PHE 70 CO 0.61 0.04 0.42 -0.56 -2.23 0.00 0.00 178.31 176.58 1cnp h GLN 71 N 0.16 0.67 -0.13 1.11 -0.00 -1.98 0.18 115.11 115.12 1cnp h GLN 71 Ca 0.11 -0.04 -0.07 0.00 -0.00 0.00 0.00 58.65 58.65 1cnp h GLN 71 Cb 0.09 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.48 27.42 1cnp h GLN 71 CO -0.13 0.44 -0.19 0.93 -0.00 0.00 0.00 178.83 179.88 1cnp h GLU 72 N 0.69 0.36 -0.75 0.06 4.39 -1.82 0.17 114.58 117.68 1cnp h GLU 72 Ca 0.38 -0.21 0.17 0.00 0.34 0.00 0.00 59.36 60.04 1cnp h GLU 72 Cb 0.39 0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 28.92 1cnp h GLU 72 CO -0.27 0.79 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.43 1cnp h TYR 73 N -0.04 -0.10 0.25 4.33 3.20 -0.55 0.14 116.97 124.19 1cnp h TYR 73 Ca 0.01 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1cnp h TYR 73 Cb 0.75 0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.19 1cnp h TYR 73 CO 0.10 -0.25 -0.12 0.82 -1.64 0.00 0.00 178.16 177.06 1cnp h ILE 74 N 0.08 0.81 -0.69 1.81 1.08 -0.54 -0.34 117.51 119.71 1cnp h ILE 74 Ca 0.40 -0.61 0.15 0.00 -0.39 0.00 0.00 64.86 64.41 1cnp h ILE 74 Cb 0.70 1.15 -0.12 0.00 -3.07 0.00 0.00 36.82 35.47 1cnp h ILE 74 CO -0.68 0.13 -0.04 0.74 -0.69 0.00 0.00 178.15 177.60 1cnp h THR 75 N -0.66 0.38 0.61 -0.27 2.02 0.16 0.19 112.91 115.34 1cnp h THR 75 Ca -0.03 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1cnp h THR 75 Cb 0.46 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1cnp h THR 75 CO 0.06 0.01 -0.38 0.15 0.37 0.00 0.00 175.52 175.73 1cnp h PHE 76 N 0.08 -1.02 -0.80 3.16 3.57 -0.75 0.17 116.94 121.34 1cnp h PHE 76 Ca 0.36 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.94 1cnp h PHE 76 Cb 0.61 0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.64 1cnp h PHE 76 CO -0.44 -0.57 0.46 1.37 -2.23 0.00 0.00 178.31 176.91 1cnp h LEU 77 N -0.93 0.68 -0.19 0.59 8.10 -0.11 0.31 115.31 123.76 1cnp h LEU 77 Ca -0.08 0.04 -0.01 0.00 0.11 0.00 0.00 57.88 57.94 1cnp h LEU 77 Cb 0.75 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.86 1cnp h LEU 77 CO 0.08 0.40 0.09 1.23 -4.11 0.00 0.00 178.44 176.14 1cnp h GLY 78 N 0.80 0.30 0.58 0.17 0.00 -0.64 0.17 103.07 104.46 1cnp h GLY 78 Ca 0.38 -0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.62 1cnp h GLY 78 CO -0.22 0.14 0.17 0.00 0.00 0.00 0.00 176.54 176.62 1cnp h ALA 79 N 0.96 0.55 -0.35 3.60 0.00 0.44 0.10 119.26 124.57 1cnp h ALA 79 Ca 0.07 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1cnp h ALA 79 Cb 0.12 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1cnp h ALA 79 CO -0.01 -0.22 0.21 -0.07 0.00 0.00 0.00 179.25 179.15 1cnp h LEU 80 N 0.34 0.42 -0.93 0.00 3.38 -0.82 -2.62 115.31 115.09 1cnp h LEU 80 Ca 0.22 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.21 1cnp h LEU 80 Cb 0.21 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 1cnp h LEU 80 CO -0.22 0.36 0.57 0.00 0.09 0.00 0.00 178.44 179.25 1cnp h ALA 81 N 1.08 1.32 -0.48 1.53 0.00 -0.02 0.19 119.26 122.88 1cnp h ALA 81 Ca 0.12 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.18 1cnp h ALA 81 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1cnp h ALA 81 CO -0.02 0.26 0.45 0.52 0.00 0.00 0.00 179.25 180.46 1cnp h MET 82 N 0.98 0.00 0.00 0.00 2.86 -0.43 0.30 114.93 118.64 1cnp h MET 82 Ca 0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 1cnp h MET 82 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1cnp h MET 82 CO -0.22 0.00 -0.05 0.82 1.06 0.00 0.00 176.91 178.52 1cnp h ILE 83 N 0.00 0.00 -0.47 -1.22 2.04 -0.69 -3.39 117.51 113.79 1cnp h ILE 83 Ca 0.23 -0.12 -0.10 0.00 1.00 0.00 0.00 64.86 65.87 1cnp h ILE 83 Cb 1.12 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1cnp h ILE 83 CO -0.00 0.00 -0.12 0.10 0.00 0.00 0.00 178.15 178.13 1cnp h TYR 84 N -0.12 0.95 -0.42 1.37 -0.00 -0.78 -2.85 116.97 115.12 1cnp h TYR 84 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 58.73 58.44 1cnp h TYR 84 Cb 0.05 -0.24 -0.06 0.00 0.00 0.00 0.00 36.73 36.48 1cnp h TYR 84 CO -0.02 0.92 0.14 -1.71 -0.00 0.00 0.00 178.16 177.49 1cnp n ASN 85 N -4.15 3.65 -4.52 0.10 5.15 0.10 -4.56 115.26 111.03 1cnp n ASN 85 Ca 0.01 -2.68 -0.48 0.00 -0.60 0.00 0.00 54.58 50.84 1cnp n ASN 85 Cb 0.38 -0.64 -0.03 0.00 -0.53 0.00 0.00 39.78 38.96 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 0.07 0.80 0.00 1.20 4.07 -1.08 -4.66 120.64 121.05 1cnp n GLU 86 Ca 0.23 0.28 0.00 0.00 -0.06 0.00 0.00 57.16 57.61 1cnp n GLU 86 Cb 0.94 -1.58 0.00 0.00 -0.06 0.00 0.00 31.44 30.74 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 0.57 0.00 -0.17 4.31 0.00 -1.26 -5.03 120.51 118.92 1cnp n ALA 87 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1cnp n ALA 87 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1cnp n ALA 87 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1cnp n LEU 88 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -4.99 117.00 110.74 1cnp n LEU 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1cnp n LEU 88 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1cnp n LEU 88 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 177.68 1cnp n LYS 89 N 0.00 0.00 -0.52 1.47 5.02 -1.26 -5.17 118.16 117.70 1cnp n LYS 89 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1cnp n LYS 89 Cb 0.00 -0.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.66 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29