#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 -1.51 3.04 0.00 -1.26 -5.09 120.51 115.69 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 -0.09 0.12 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.19 3.84 0.22 0.00 1.04 -1.26 -4.67 113.70 110.67 1cnp s SER 3 Ca 0.00 1.13 -0.09 0.00 0.48 0.00 0.00 55.95 57.48 1cnp s SER 3 Cb 0.00 -1.78 0.33 0.00 0.10 0.00 0.00 66.02 64.67 1cnp s SER 3 CO 0.00 -2.36 1.70 -0.65 0.98 0.00 0.00 173.24 172.90 1cnp h PRO 4 N -1.36 0.24 0.56 4.02 0.11 -2.00 0.22 132.00 133.79 1cnp h PRO 4 Ca -0.49 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1cnp h PRO 4 Cb 1.31 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.37 1cnp h PRO 4 CO 0.60 0.16 -0.27 -0.07 -0.21 0.00 0.00 178.00 178.21 1cnp h LEU 5 N 0.25 -0.64 -0.75 2.35 4.07 -1.99 0.18 115.31 118.78 1cnp h LEU 5 Ca 0.34 -0.04 0.11 0.00 0.08 0.00 0.00 57.88 58.37 1cnp h LEU 5 Cb 0.53 0.17 -0.08 0.00 1.08 0.00 0.00 40.66 42.35 1cnp h LEU 5 CO -0.44 -0.28 0.36 -2.24 -1.08 0.00 0.00 178.44 174.76 1cnp h ASP 6 N -1.05 0.44 -0.70 -0.43 2.03 -1.91 0.12 116.42 114.93 1cnp h ASP 6 Ca -0.08 0.08 0.08 0.00 -0.73 0.00 0.00 57.03 56.38 1cnp h ASP 6 Cb 0.64 0.01 -0.06 0.00 -0.83 0.00 0.00 39.33 39.09 1cnp h ASP 6 CO 0.13 0.23 0.37 -0.61 -1.03 0.00 0.00 179.24 178.32 1cnp h GLN 7 N 0.58 0.63 -0.38 4.15 -0.00 -0.45 0.14 115.11 119.77 1cnp h GLN 7 Ca 0.39 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.65 58.96 1cnp h GLN 7 Cb 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.80 1cnp h GLN 7 CO -0.31 0.41 0.09 0.00 0.00 0.00 0.00 178.83 179.02 1cnp h ALA 8 N 1.40 0.50 -0.61 3.38 0.00 0.18 0.26 119.26 124.37 1cnp h ALA 8 Ca 0.33 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1cnp h ALA 8 Cb 0.29 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1cnp h ALA 8 CO -0.23 0.18 0.23 0.82 0.00 0.00 0.00 179.25 180.25 1cnp h ILE 9 N 0.47 0.78 -0.49 0.00 1.08 -0.68 -0.74 117.51 117.93 1cnp h ILE 9 Ca 0.12 -0.14 0.10 0.00 -0.39 0.00 0.00 64.86 64.55 1cnp h ILE 9 Cb 0.30 0.33 -0.10 0.00 -3.07 0.00 0.00 36.82 34.28 1cnp h ILE 9 CO 0.00 0.08 -0.24 1.23 -0.69 0.00 0.00 178.15 178.53 1cnp h GLY 10 N 0.42 0.08 0.46 5.37 0.00 0.31 0.12 103.07 109.82 1cnp h GLY 10 Ca 0.30 0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.97 1cnp h GLY 10 CO -0.30 -0.22 -0.23 1.41 0.00 0.00 0.00 176.54 177.20 1cnp h LEU 11 N -0.13 -0.69 -0.53 3.11 3.38 0.77 0.27 115.31 121.49 1cnp h LEU 11 Ca 0.23 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.37 1cnp h LEU 11 Cb 0.49 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 1cnp h LEU 11 CO -0.57 -0.30 0.18 -0.07 0.09 0.00 0.00 178.44 177.76 1cnp h LEU 12 N -0.37 0.16 -1.39 1.67 -0.00 -0.64 0.20 115.31 114.95 1cnp h LEU 12 Ca 0.06 0.07 0.01 0.00 -0.00 0.00 0.00 57.88 58.02 1cnp h LEU 12 Cb 0.45 0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.14 1cnp h LEU 12 CO -0.21 0.12 0.42 0.40 -0.00 0.00 0.00 178.44 179.17 1cnp h ILE 13 N 0.35 1.15 0.22 1.22 2.04 -0.23 -0.90 117.51 121.35 1cnp h ILE 13 Ca 0.26 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1cnp h ILE 13 Cb 0.30 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1cnp h ILE 13 CO -0.28 0.15 -0.10 1.23 0.00 0.00 0.00 178.15 179.15 1cnp h GLY 14 N 0.84 -0.30 -0.53 5.37 0.00 0.95 -3.34 103.07 106.05 1cnp h GLY 14 Ca 0.24 0.11 0.30 0.00 0.00 0.00 0.00 47.33 47.98 1cnp h GLY 14 CO -0.05 -0.11 0.44 -2.22 0.00 0.00 0.00 176.54 174.60 1cnp h ILE 15 N -0.48 0.28 -0.33 2.60 1.08 -0.66 -2.91 117.51 117.09 1cnp h ILE 15 Ca -0.03 -0.09 0.03 0.00 -0.39 0.00 0.00 64.86 64.38 1cnp h ILE 15 Cb 0.22 -0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 33.93 1cnp h ILE 15 CO 0.05 0.05 -0.20 0.33 -0.69 0.00 0.00 178.15 177.69 1cnp n PHE 16 N -5.13 -0.15 0.55 1.37 7.35 -0.35 -0.65 117.46 120.46 1cnp n PHE 16 Ca 0.28 0.42 0.08 0.00 -0.76 0.00 0.00 57.45 57.47 1cnp n PHE 16 Cb 0.89 -0.46 0.23 0.00 0.35 0.00 0.00 39.48 40.49 1cnp n PHE 16 CO 0.00 0.00 0.00 -2.39 -0.76 0.00 0.00 176.76 173.61 1cnp n HIS 17 N -4.05 0.59 -0.14 -5.13 1.44 -1.10 -4.10 115.22 102.73 1cnp n HIS 17 Ca 0.01 -0.29 -0.09 0.00 -2.01 0.00 0.00 57.72 55.33 1cnp n HIS 17 Cb 0.09 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.19 1cnp n HIS 17 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 1cnp h LYS 18 N 2.81 0.62 -6.43 -1.40 1.63 -1.03 -3.43 116.57 109.35 1cnp h LYS 18 Ca 0.00 -0.11 -0.57 0.00 -0.85 0.00 0.00 60.65 59.11 1cnp h LYS 18 Cb 0.64 -0.10 0.04 0.00 -0.60 0.00 0.00 32.23 32.21 1cnp h LYS 18 CO 0.00 0.58 1.01 0.66 -3.45 0.00 0.00 179.45 178.25 1cnp n TYR 19 N -4.63 2.42 0.00 1.91 4.01 -1.26 -4.04 117.16 115.57 1cnp n TYR 19 Ca 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1cnp n TYR 19 Cb 0.15 -2.65 0.00 0.00 -0.31 0.00 0.00 39.34 36.53 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 5.29 0.00 0.00 7.72 3.41 -1.26 -4.80 113.62 123.98 1cnp n SER 20 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1cnp n SER 20 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1cnp n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cnp n GLY 21 N 0.00 1.92 3.04 5.00 0.00 -1.26 -4.61 105.19 109.29 1cnp n GLY 21 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1cnp n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cnp s LYS 22 N 0.00 1.79 -0.07 1.61 -0.14 -1.26 -5.02 119.74 116.65 1cnp s LYS 22 Ca 0.00 -1.67 -0.26 0.00 -1.36 0.00 0.00 55.97 52.68 1cnp s LYS 22 Cb 0.00 -3.08 -0.22 0.00 -1.68 0.00 0.00 37.83 32.85 1cnp s LYS 22 CO 0.00 -0.79 1.01 1.05 -0.76 0.00 0.00 175.35 175.85 1cnp h GLU 23 N 7.68 -0.03 -5.10 1.68 9.09 -1.82 -3.48 114.58 122.61 1cnp h GLU 23 Ca -0.10 0.00 -0.37 0.00 0.05 0.00 0.00 59.36 58.94 1cnp h GLU 23 Cb 1.03 0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 28.09 1cnp h GLU 23 CO 0.50 0.65 -0.55 0.41 0.05 0.00 0.00 179.01 180.07 1cnp n GLY 24 N 0.84 -0.49 3.87 1.06 0.00 -1.26 -0.98 105.19 108.22 1cnp n GLY 24 Ca -0.09 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.30 -0.19 -4.59 1.61 2.03 -1.26 -4.90 116.55 106.95 1cnp n ASP 25 Ca -0.05 -0.97 -0.42 0.00 0.52 0.00 0.00 54.79 53.87 1cnp n ASP 25 Cb 0.56 -1.22 -0.03 0.00 -0.72 0.00 0.00 41.12 39.72 1cnp n ASP 25 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1cnp s LYS 26 N -6.11 3.19 0.00 -0.67 2.20 -0.15 -4.89 119.74 113.31 1cnp s LYS 26 Ca 0.28 1.40 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 1cnp s LYS 26 Cb -0.16 -4.25 0.00 0.00 -1.51 0.00 0.00 37.83 31.91 1cnp s LYS 26 CO 0.78 -2.03 1.33 0.72 -0.36 0.00 0.00 175.35 175.79 1cnp n HIS 27 N 10.91 0.00 -3.71 4.03 8.25 -1.26 -4.67 115.22 128.78 1cnp n HIS 27 Ca 0.24 -0.67 -0.13 0.00 -0.26 0.00 0.00 57.72 56.90 1cnp n HIS 27 Cb 0.47 -0.39 -0.09 0.00 1.12 0.00 0.00 29.99 31.10 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 0.50 -0.00 -0.56 1.59 -4.23 -1.26 -4.75 115.64 106.93 1cnp s THR 28 Ca 0.00 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.34 1cnp s THR 28 Cb 0.00 -0.68 0.12 0.00 1.34 0.00 0.00 72.50 73.28 1cnp s THR 28 CO 0.00 0.00 0.57 -0.76 -0.54 0.00 0.00 174.62 173.89 1cnp s LEU 29 N 0.28 5.87 -1.53 4.79 1.43 -0.91 -4.96 118.68 123.64 1cnp s LEU 29 Ca -0.00 -1.63 -0.10 0.00 -1.03 0.00 0.00 54.13 51.37 1cnp s LEU 29 Cb -0.03 -2.25 -0.08 0.00 0.03 0.00 0.00 46.19 43.86 1cnp s LEU 29 CO 0.00 -0.94 2.80 -1.20 0.23 0.00 0.00 176.35 177.24 1cnp n SER 30 N 5.65 7.89 0.00 2.29 7.64 -1.26 -3.42 113.62 132.40 1cnp n SER 30 Ca -0.12 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.19 1cnp n SER 30 Cb 0.41 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 1cnp n SER 30 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1cnp n LYS 31 N 3.90 0.00 -0.18 1.43 4.01 -1.26 -4.29 118.16 121.76 1cnp n LYS 31 Ca 0.73 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 58.51 1cnp n LYS 31 Cb 0.23 0.00 0.08 0.00 -0.51 0.00 0.00 35.03 34.84 1cnp n LYS 31 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 1cnp h LYS 32 N 0.00 0.40 -0.98 1.97 2.10 -2.01 0.23 116.57 118.28 1cnp h LYS 32 Ca 0.00 -0.02 0.20 0.00 -2.00 0.00 0.00 60.65 58.83 1cnp h LYS 32 Cb 0.00 -0.09 -0.11 0.00 -0.90 0.00 0.00 32.23 31.13 1cnp h LYS 32 CO 0.00 0.27 0.58 0.93 -2.00 0.00 0.00 179.45 179.23 1cnp h GLU 33 N 0.42 0.66 0.00 0.07 3.07 -1.89 0.41 114.58 117.31 1cnp h GLU 33 Ca 0.27 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 1cnp h GLU 33 Cb 0.28 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1cnp h GLU 33 CO -0.25 0.44 -0.03 1.25 -1.40 0.00 0.00 179.01 179.01 1cnp h LEU 34 N 0.68 0.00 -0.85 1.33 6.46 -0.84 0.01 115.31 122.09 1cnp h LEU 34 Ca 0.59 0.00 0.08 0.00 -0.12 0.00 0.00 57.88 58.43 1cnp h LEU 34 Cb 0.98 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.84 1cnp h LEU 34 CO -0.42 0.03 0.51 0.50 -0.62 0.00 0.00 178.44 178.44 1cnp h LYS 35 N 0.00 0.85 -0.87 1.25 3.11 -0.69 -0.17 116.57 120.05 1cnp h LYS 35 Ca -0.00 -0.05 0.06 0.00 -2.81 0.00 0.00 60.65 57.85 1cnp h LYS 35 Cb 0.24 -0.19 -0.06 0.00 -1.00 0.00 0.00 32.23 31.22 1cnp h LYS 35 CO 0.00 0.56 0.55 1.49 -2.81 0.00 0.00 179.45 179.24 1cnp h GLU 36 N 0.88 0.97 0.00 1.90 4.81 -1.08 -3.32 114.58 118.73 1cnp h GLU 36 Ca 0.40 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1cnp h GLU 36 Cb 0.30 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1cnp h GLU 36 CO -0.22 0.64 0.00 -0.11 -0.73 0.00 0.00 179.01 178.59 1cnp n LEU 37 N -4.60 0.00 0.06 1.64 0.00 -0.11 -3.66 117.00 110.33 1cnp n LEU 37 Ca 0.13 0.78 0.01 0.00 0.00 0.00 0.00 56.01 56.93 1cnp n LEU 37 Cb 0.17 -0.28 0.06 0.00 0.00 0.00 0.00 43.42 43.38 1cnp n LEU 37 CO 0.31 -0.28 0.59 2.30 0.00 0.00 0.00 177.39 180.31 1cnp n ILE 38 N -1.38 0.53 -0.10 1.96 -5.35 -1.02 -0.88 119.36 113.12 1cnp n ILE 38 Ca 0.00 0.58 -0.17 0.00 -0.27 0.00 0.00 62.75 62.89 1cnp n ILE 38 Cb 0.00 -1.58 -0.08 0.00 -1.74 0.00 0.00 39.64 36.24 1cnp n ILE 38 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1cnp n GLN 39 N -1.41 0.53 -0.75 6.28 -0.06 -1.25 -4.43 117.38 116.29 1cnp n GLN 39 Ca -0.00 0.48 -0.15 0.00 -2.00 0.00 0.00 57.00 55.34 1cnp n GLN 39 Cb 0.40 -1.67 0.08 0.00 -4.06 0.00 0.00 30.24 24.99 1cnp n GLN 39 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1cnp n LYS 40 N -4.46 1.74 0.00 3.69 4.81 -0.06 -4.82 118.16 119.06 1cnp n LYS 40 Ca -0.27 -1.64 0.00 0.00 -0.87 0.00 0.00 58.31 55.53 1cnp n LYS 40 Cb 0.58 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 33.98 1cnp n LYS 40 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1cnp n GLU 41 N -0.16 0.00 -0.09 1.64 -0.00 -0.22 -4.89 120.64 116.92 1cnp n GLU 41 Ca 0.32 0.00 -0.09 0.00 -0.00 0.00 0.00 57.16 57.40 1cnp n GLU 41 Cb 0.93 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 32.34 1cnp n GLU 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1cnp n LEU 42 N 0.00 1.89 0.07 -1.84 4.77 -1.26 -4.92 117.00 115.71 1cnp n LEU 42 Ca 0.00 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1cnp n LEU 42 Cb 0.00 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1cnp n LEU 42 CO 0.00 -0.30 0.00 0.41 -1.33 0.00 0.00 177.39 176.17 1cnp n THR 43 N -4.50 0.00 -2.78 -5.08 -1.04 -1.26 -4.95 114.28 94.66 1cnp n THR 43 Ca -0.14 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.85 1cnp n THR 43 Cb 0.45 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.01 1cnp n THR 43 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1cnp n ILE 44 N -2.73 1.09 -0.14 12.58 -5.35 -1.26 -4.85 119.36 118.70 1cnp n ILE 44 Ca 0.00 -2.81 0.06 0.00 -0.27 0.00 0.00 62.75 59.73 1cnp n ILE 44 Cb 0.00 1.12 0.37 0.00 -1.74 0.00 0.00 39.64 39.39 1cnp n ILE 44 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1cnp h GLY 45 N 2.60 0.84 -7.52 3.28 0.00 -1.93 -3.36 103.07 96.99 1cnp h GLY 45 Ca -0.15 -0.28 -0.45 0.00 0.00 0.00 0.00 47.33 46.45 1cnp h GLY 45 CO 0.24 0.23 1.37 -0.56 0.00 0.00 0.00 176.54 177.82 1cnp s SER 46 N -6.33 4.85 -1.17 0.19 0.01 -1.26 -4.87 113.70 105.12 1cnp s SER 46 Ca -0.09 0.57 -0.12 0.00 1.31 0.00 0.00 55.95 57.61 1cnp s SER 46 Cb 0.19 -2.52 -0.07 0.00 0.21 0.00 0.00 66.02 63.83 1cnp s SER 46 CO 0.76 -2.68 2.30 0.29 0.41 0.00 0.00 173.24 174.32 1cnp n LYS 47 N 9.08 2.50 0.00 12.44 5.02 -1.26 -4.74 118.16 141.20 1cnp n LYS 47 Ca 0.29 -1.98 0.00 0.00 -2.02 0.00 0.00 58.31 54.60 1cnp n LYS 47 Cb 0.53 -2.83 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 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 5.26 0.00 -2.75 -0.35 -0.00 -1.26 -3.27 117.00 114.63 1cnp n LEU 48 Ca 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.54 1cnp n LEU 48 Cb 0.28 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.77 1cnp n LEU 48 CO 0.87 0.00 0.19 1.67 -0.00 0.00 0.00 177.39 180.12 1cnp n GLN 49 N 0.00 1.47 -2.53 1.96 -0.06 -1.26 -5.09 117.38 111.88 1cnp n GLN 49 Ca 0.00 -2.70 -0.43 0.00 -2.00 0.00 0.00 57.00 51.87 1cnp n GLN 49 Cb 0.00 -0.86 -0.02 0.00 -4.06 0.00 0.00 30.24 25.30 1cnp n GLN 49 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 1cnp s ASP 50 N -2.73 6.91 0.89 1.69 -4.77 -1.20 -5.02 116.67 112.44 1cnp s ASP 50 Ca 0.22 1.35 -0.12 0.00 -3.30 0.00 0.00 52.55 50.70 1cnp s ASP 50 Cb 0.39 -2.54 0.09 0.00 -1.09 0.00 0.00 42.92 39.77 1cnp s ASP 50 CO -0.05 -0.85 0.92 0.00 0.70 0.00 0.00 175.17 175.89 1cnp n ALA 51 N 6.85 -1.18 -0.33 2.11 0.00 -1.26 -4.56 120.51 122.15 1cnp n ALA 51 Ca 0.13 -0.50 0.13 0.00 0.00 0.00 0.00 53.44 53.20 1cnp n ALA 51 Cb 0.46 -2.08 0.32 0.00 0.00 0.00 0.00 19.45 18.15 1cnp n ALA 51 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1cnp h GLU 52 N -1.50 0.56 -0.98 0.00 4.39 -1.97 0.44 114.58 115.52 1cnp h GLU 52 Ca -0.44 -0.03 0.16 0.00 0.34 0.00 0.00 59.36 59.39 1cnp h GLU 52 Cb 1.28 -0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 29.71 1cnp h GLU 52 CO 0.40 0.37 0.59 0.82 -1.16 0.00 0.00 179.01 180.04 1cnp h ILE 53 N 0.58 0.77 0.11 3.13 2.04 -2.00 0.15 117.51 122.29 1cnp h ILE 53 Ca 0.58 -0.28 -0.18 0.00 1.00 0.00 0.00 64.86 65.98 1cnp h ILE 53 Cb 1.01 -0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1cnp h ILE 53 CO -0.45 0.15 -0.82 0.58 0.00 0.00 0.00 178.15 177.60 1cnp h VAL 54 N 0.81 1.45 -0.98 1.67 2.07 -0.60 -3.32 116.25 117.34 1cnp h VAL 54 Ca 0.54 -2.48 0.21 0.00 0.82 0.00 0.00 66.70 65.79 1cnp h VAL 54 Cb 0.74 3.11 -0.09 0.00 -1.52 0.00 0.00 31.29 33.53 1cnp h VAL 54 CO -0.35 0.69 0.62 0.50 0.02 0.00 0.00 177.57 179.05 1cnp h LYS 55 N -0.47 0.57 -0.90 1.57 1.63 -0.30 0.23 116.57 118.90 1cnp h LYS 55 Ca -0.16 -0.03 0.23 0.00 -0.85 0.00 0.00 60.65 59.84 1cnp h LYS 55 Cb 1.56 -0.13 -0.13 0.00 -0.60 0.00 0.00 32.23 32.94 1cnp h LYS 55 CO 0.10 0.37 0.37 1.25 -3.45 0.00 0.00 179.45 178.09 1cnp h LEU 56 N 0.58 0.27 -0.40 5.20 5.85 -0.81 -1.62 115.31 124.38 1cnp h LEU 56 Ca 0.55 0.17 0.08 0.00 0.84 0.00 0.00 57.88 59.51 1cnp h LEU 56 Cb 1.10 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.23 1cnp h LEU 56 CO -0.30 -0.05 -0.05 -0.03 -0.34 0.00 0.00 178.44 177.67 1cnp h MET 57 N 0.35 0.05 -0.69 1.25 4.05 -0.69 0.10 114.93 119.35 1cnp h MET 57 Ca 0.57 -0.00 0.08 0.00 -0.28 0.00 0.00 59.70 60.07 1cnp h MET 57 Cb 1.11 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.86 1cnp h MET 57 CO -0.56 0.03 0.46 -0.44 0.23 0.00 0.00 176.91 176.63 1cnp h ASP 58 N 0.05 0.56 0.31 1.39 5.19 -1.40 -0.38 116.42 122.14 1cnp h ASP 58 Ca 0.19 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1cnp h ASP 58 Cb 0.29 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1cnp h ASP 58 CO -0.37 0.35 0.00 -0.78 -3.12 0.00 0.00 179.24 175.32 1cnp h ASP 59 N 0.63 0.00 0.00 6.45 3.58 -0.72 -3.33 116.42 123.03 1cnp h ASP 59 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1cnp h ASP 59 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1cnp h ASP 59 CO -0.10 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.44 1cnp n LEU 60 N -2.42 0.00 0.02 2.28 4.77 -0.15 -0.16 117.00 121.33 1cnp n LEU 60 Ca -0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1cnp n LEU 60 Cb 0.12 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.41 1cnp n LEU 60 CO 0.16 0.00 0.64 -0.90 -1.33 0.00 0.00 177.39 175.96 1cnp n ASP 61 N -0.61 0.07 0.00 -1.43 5.75 -1.25 -4.82 116.55 114.26 1cnp n ASP 61 Ca 0.03 0.52 0.00 0.00 -0.01 0.00 0.00 54.79 55.34 1cnp n ASP 61 Cb 0.01 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 1cnp n ASP 61 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1cnp n ARG 62 N -1.58 0.00 0.05 0.11 -4.01 0.78 -4.72 116.66 107.29 1cnp n ARG 62 Ca 0.02 0.00 0.02 0.00 -1.04 0.00 0.00 57.85 56.85 1cnp n ARG 62 Cb 0.09 0.00 0.13 0.00 -3.04 0.00 0.00 32.46 29.65 1cnp n ARG 62 CO 0.00 0.00 0.00 -1.71 -3.04 0.00 0.00 177.63 172.88 1cnp n ASN 63 N 0.00 0.13 0.14 2.89 5.15 -1.26 -1.35 115.26 120.96 1cnp n ASN 63 Ca 0.00 0.43 0.03 0.00 -0.60 0.00 0.00 54.58 54.44 1cnp n ASN 63 Cb 0.00 -0.42 0.16 0.00 -0.53 0.00 0.00 39.78 38.99 1cnp n ASN 63 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1cnp n LYS 64 N -1.59 0.05 -0.32 1.20 5.02 -1.26 -0.96 118.16 120.30 1cnp n LYS 64 Ca -0.00 0.47 -0.01 0.00 -2.02 0.00 0.00 58.31 56.75 1cnp n LYS 64 Cb 0.19 -2.14 0.05 0.00 -0.02 0.00 0.00 35.03 33.10 1cnp n LYS 64 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1cnp h ASP 65 N 0.00 -1.24 -3.84 4.39 3.32 -1.62 -3.37 116.42 114.06 1cnp h ASP 65 Ca 0.00 0.28 -0.47 0.00 0.02 0.00 0.00 57.03 56.85 1cnp h ASP 65 Cb 0.99 0.67 -0.02 0.00 0.22 0.00 0.00 39.33 41.19 1cnp h ASP 65 CO 0.00 -0.29 0.32 0.00 -1.72 0.00 0.00 179.24 177.55 1cnp s GLN 66 N -6.02 4.58 0.18 3.56 -2.07 -0.13 -4.95 119.66 114.80 1cnp s GLN 66 Ca -0.14 1.30 -0.32 0.00 -1.82 0.00 0.00 55.36 54.37 1cnp s GLN 66 Cb 0.20 -2.85 -0.15 0.00 -1.09 0.00 0.00 33.01 29.12 1cnp s GLN 66 CO 0.72 0.31 1.19 0.39 -1.32 0.00 0.00 175.29 176.58 1cnp n GLU 67 N 0.65 1.28 -2.38 9.60 -0.58 -1.26 -4.75 120.64 123.21 1cnp n GLU 67 Ca 0.01 0.46 -0.37 0.00 -0.42 0.00 0.00 57.16 56.84 1cnp n GLU 67 Cb 0.50 -1.97 -0.03 0.00 -0.57 0.00 0.00 31.44 29.37 1cnp n GLU 67 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1cnp s VAL 68 N -0.19 3.84 0.85 2.62 1.01 -1.22 -4.90 120.40 122.42 1cnp s VAL 68 Ca 0.72 -1.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 1cnp s VAL 68 Cb -0.82 -4.86 0.10 0.00 0.00 0.00 0.00 36.38 30.80 1cnp s VAL 68 CO 0.52 -1.60 1.11 0.21 0.00 0.00 0.00 175.10 175.34 1cnp s ASN 69 N 5.46 4.03 0.24 3.32 3.84 -1.26 -2.15 114.94 128.42 1cnp s ASN 69 Ca 0.58 1.19 -0.05 0.00 0.21 0.00 0.00 52.86 54.79 1cnp s ASN 69 Cb 0.01 -1.86 0.43 0.00 -0.55 0.00 0.00 41.25 39.28 1cnp s ASN 69 CO 0.04 -2.25 1.71 0.15 -2.79 0.00 0.00 177.10 173.97 1cnp h PHE 70 N -1.28 0.38 -0.97 0.43 3.57 -1.92 0.81 116.94 117.96 1cnp h PHE 70 Ca -0.49 0.04 0.33 0.00 3.53 0.00 0.00 57.97 61.38 1cnp h PHE 70 Cb 1.29 -0.06 -0.17 0.00 2.79 0.00 0.00 35.95 39.81 1cnp h PHE 70 CO 0.40 -0.00 0.35 0.37 -2.23 0.00 0.00 178.31 177.19 1cnp h GLN 71 N 0.35 0.10 0.09 1.11 -0.00 -1.97 0.32 115.11 115.12 1cnp h GLN 71 Ca 0.40 -0.01 -0.28 0.00 -0.00 0.00 0.00 58.65 58.76 1cnp h GLN 71 Cb 0.63 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.07 1cnp h GLN 71 CO -0.44 0.06 -1.49 1.49 0.00 0.00 0.00 178.83 178.46 1cnp h GLU 72 N 0.10 0.20 -0.92 1.69 4.57 -1.19 0.72 114.58 119.75 1cnp h GLU 72 Ca 0.70 -0.34 0.21 0.00 -1.18 0.00 0.00 59.36 58.76 1cnp h GLU 72 Cb 1.65 0.13 -0.12 0.00 -0.16 0.00 0.00 28.75 30.25 1cnp h GLU 72 CO -0.76 1.16 0.46 -0.92 -1.18 0.00 0.00 179.01 177.77 1cnp h TYR 73 N -0.37 0.78 0.27 0.92 5.03 -1.22 -1.18 116.97 121.20 1cnp h TYR 73 Ca -0.33 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.00 1cnp h TYR 73 Cb 1.72 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 39.80 1cnp h TYR 73 CO 0.11 0.03 -0.13 0.82 -1.32 0.00 0.00 178.16 177.67 1cnp h ILE 74 N 0.50 0.77 -0.90 1.81 1.08 -0.34 -0.73 117.51 119.70 1cnp h ILE 74 Ca 0.56 -0.45 0.15 0.00 -0.39 0.00 0.00 64.86 64.73 1cnp h ILE 74 Cb 1.02 1.02 -0.16 0.00 -3.07 0.00 0.00 36.82 35.63 1cnp h ILE 74 CO -0.48 0.10 -0.33 0.74 -0.69 0.00 0.00 178.15 177.48 1cnp h THR 75 N -0.61 0.06 0.41 -0.27 2.02 0.30 0.25 112.91 115.07 1cnp h THR 75 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1cnp h THR 75 Cb 0.44 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1cnp h THR 75 CO 0.06 0.00 -0.31 0.15 0.37 0.00 0.00 175.52 175.79 1cnp h PHE 76 N -0.03 -0.82 -0.57 3.16 3.57 -1.32 -0.05 116.94 120.88 1cnp h PHE 76 Ca 0.35 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.97 1cnp h PHE 76 Cb 0.61 0.31 -0.10 0.00 2.79 0.00 0.00 35.95 39.56 1cnp h PHE 76 CO -0.78 -0.46 -0.04 -0.07 -2.23 0.00 0.00 178.31 174.73 1cnp h LEU 77 N -0.71 -0.32 -0.43 0.59 3.38 0.40 -1.48 115.31 116.74 1cnp h LEU 77 Ca -0.04 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1cnp h LEU 77 Cb 0.61 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 1cnp h LEU 77 CO 0.00 -0.12 0.14 1.23 0.09 0.00 0.00 178.44 179.78 1cnp h GLY 78 N 0.08 0.55 0.16 0.83 0.00 -0.31 0.18 103.07 104.57 1cnp h GLY 78 Ca 0.29 -0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.62 1cnp h GLY 78 CO -0.51 0.01 -0.16 0.00 0.00 0.00 0.00 176.54 175.89 1cnp h ALA 79 N 1.29 0.12 -0.08 3.60 0.00 0.02 -2.89 119.26 121.32 1cnp h ALA 79 Ca 0.20 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1cnp h ALA 79 Cb 0.20 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1cnp h ALA 79 CO -0.22 -0.53 -0.09 -0.07 0.00 0.00 0.00 179.25 178.34 1cnp h LEU 80 N -0.10 0.22 -0.92 0.00 4.07 -0.95 -3.36 115.31 114.28 1cnp h LEU 80 Ca 0.17 -0.49 0.14 0.00 0.08 0.00 0.00 57.88 57.78 1cnp h LEU 80 Cb 0.36 -0.06 -0.15 0.00 1.08 0.00 0.00 40.66 41.89 1cnp h LEU 80 CO -0.41 0.67 -0.37 0.00 -1.08 0.00 0.00 178.44 177.25 1cnp n ALA 81 N -2.39 -0.15 -0.36 1.53 0.00 0.60 -0.08 120.51 119.66 1cnp n ALA 81 Ca -0.07 0.91 0.09 0.00 0.00 0.00 0.00 53.44 54.36 1cnp n ALA 81 Cb 0.32 -0.39 0.19 0.00 0.00 0.00 0.00 19.45 19.57 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 -5.34 -0.09 0.00 0.00 2.81 -1.20 -1.39 117.12 111.92 1cnp n MET 82 Ca 0.09 1.54 0.00 0.00 -1.81 0.00 0.00 57.70 57.52 1cnp n MET 82 Cb 0.36 -2.34 0.00 0.00 -0.71 0.00 0.00 33.22 30.53 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 -5.59 0.00 0.26 2.02 2.08 0.88 -0.45 119.36 118.57 1cnp n ILE 83 Ca 0.18 0.45 0.13 0.00 0.56 0.00 0.00 62.75 64.08 1cnp n ILE 83 Cb 0.58 -1.40 0.72 0.00 -0.75 0.00 0.00 39.64 38.79 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 0.00 1.39 -0.00 -0.70 -1.47 116.97 116.18 1cnp h TYR 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1cnp h TYR 84 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1cnp h TYR 84 CO 0.00 0.12 -0.47 -1.71 -0.00 0.00 0.00 178.16 176.10 1cnp n ASN 85 N -3.55 1.49 -0.01 0.10 5.15 -0.48 -4.84 115.26 113.12 1cnp n ASN 85 Ca -0.01 0.53 0.05 0.00 -0.60 0.00 0.00 54.58 54.55 1cnp n ASN 85 Cb 0.26 -0.79 -0.09 0.00 -0.53 0.00 0.00 39.78 38.62 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 -4.18 0.52 -2.96 1.20 0.00 -1.09 -4.98 120.64 109.15 1cnp n GLU 86 Ca -0.07 -0.10 -0.16 0.00 0.00 0.00 0.00 57.16 56.83 1cnp n GLU 86 Cb 0.24 -1.29 -0.01 0.00 0.00 0.00 0.00 31.44 30.39 1cnp n GLU 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1cnp n ALA 87 N -1.96 -0.97 -2.82 4.31 0.00 0.41 -1.00 120.51 118.48 1cnp n ALA 87 Ca -0.04 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 1cnp n ALA 87 Cb 0.36 -1.88 0.01 0.00 0.00 0.00 0.00 19.45 17.94 1cnp n ALA 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cnp n LEU 88 N -3.19 -0.92 -2.67 0.00 4.77 0.18 -2.76 117.00 112.41 1cnp n LEU 88 Ca -0.05 -0.34 -0.03 0.00 -0.03 0.00 0.00 56.01 55.57 1cnp n LEU 88 Cb 0.55 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1cnp n LEU 88 CO 0.32 0.14 0.18 0.29 -1.33 0.00 0.00 177.39 176.99 1cnp n LYS 89 N -1.06 -1.38 0.00 3.23 4.76 -0.75 -5.15 118.16 117.81 1cnp n LYS 89 Ca -0.12 1.49 0.00 0.00 -2.87 0.00 0.00 58.31 56.81 1cnp n LYS 89 Cb 0.32 -4.85 0.00 0.00 -1.84 0.00 0.00 35.03 28.67 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44