#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 2.78 -1.10 3.04 0.00 -1.26 -4.77 120.51 119.20 1cnp n ALA 2 Ca 0.00 -1.93 -0.29 0.00 0.00 0.00 0.00 53.44 51.22 1cnp n ALA 2 Cb 0.00 -0.69 0.17 0.00 0.00 0.00 0.00 19.45 18.93 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 -2.09 2.86 0.19 0.00 0.01 -1.26 -4.65 113.70 108.76 1cnp s SER 3 Ca 0.22 1.41 -0.13 0.00 1.31 0.00 0.00 55.95 58.76 1cnp s SER 3 Cb 0.30 -2.09 0.21 0.00 0.21 0.00 0.00 66.02 64.65 1cnp s SER 3 CO -0.10 -3.01 1.67 -0.65 0.41 0.00 0.00 173.24 171.55 1cnp h PRO 4 N -1.81 0.08 0.13 12.44 0.11 -1.99 0.12 132.00 141.08 1cnp h PRO 4 Ca -0.52 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1cnp h PRO 4 Cb 1.31 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1cnp h PRO 4 CO 0.55 0.05 -0.28 -0.07 -0.21 0.00 0.00 178.00 178.03 1cnp h LEU 5 N 0.08 -0.83 -0.60 2.35 3.38 -1.99 -0.02 115.31 117.68 1cnp h LEU 5 Ca 0.27 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.42 1cnp h LEU 5 Cb 0.41 0.30 -0.11 0.00 0.09 0.00 0.00 40.66 41.34 1cnp h LEU 5 CO -0.47 -0.32 -0.37 0.44 0.09 0.00 0.00 178.44 177.81 1cnp h ASP 6 N -0.45 -1.28 -0.05 -0.43 3.32 -1.81 0.77 116.42 116.49 1cnp h ASP 6 Ca -0.01 0.24 0.01 0.00 0.02 0.00 0.00 57.03 57.28 1cnp h ASP 6 Cb 0.43 0.62 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1cnp h ASP 6 CO -0.12 -0.31 -0.00 -0.61 -1.72 0.00 0.00 179.24 176.48 1cnp h GLN 7 N -0.18 0.01 0.30 3.56 -0.00 -0.66 0.14 115.11 118.29 1cnp h GLN 7 Ca 0.22 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.86 1cnp h GLN 7 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.04 1cnp h GLN 7 CO -0.70 0.01 -0.14 0.00 0.00 0.00 0.00 178.83 178.00 1cnp h ALA 8 N 1.04 -0.40 -0.03 3.38 0.00 -0.15 0.11 119.26 123.22 1cnp h ALA 8 Ca 0.02 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1cnp h ALA 8 Cb 0.03 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1cnp h ALA 8 CO -0.04 -0.62 -0.39 0.82 0.00 0.00 0.00 179.25 179.02 1cnp h ILE 9 N -0.61 0.19 -0.21 0.00 2.04 -0.84 0.54 117.51 118.62 1cnp h ILE 9 Ca -0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1cnp h ILE 9 Cb 0.44 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 36.64 1cnp h ILE 9 CO 0.07 0.00 -0.34 1.23 0.00 0.00 0.00 178.15 179.11 1cnp h GLY 10 N -0.53 -0.42 0.99 5.37 0.00 -0.64 0.70 103.07 108.54 1cnp h GLY 10 Ca 0.06 0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.76 1cnp h GLY 10 CO -0.32 -0.22 -0.47 -2.00 0.00 0.00 0.00 176.54 173.53 1cnp h LEU 11 N -0.36 -1.12 -0.24 3.11 5.85 -0.35 0.13 115.31 122.33 1cnp h LEU 11 Ca 0.11 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1cnp h LEU 11 Cb 0.55 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1cnp h LEU 11 CO -0.41 -0.79 0.07 -0.07 -0.34 0.00 0.00 178.44 176.90 1cnp h LEU 12 N -1.35 0.35 -0.46 2.25 3.38 -0.81 -0.82 115.31 117.85 1cnp h LEU 12 Ca -0.14 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 1cnp h LEU 12 Cb 1.02 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1cnp h LEU 12 CO 0.22 0.47 0.03 0.40 0.09 0.00 0.00 178.44 179.66 1cnp h ILE 13 N 0.22 1.26 -0.18 1.22 2.04 -0.92 0.10 117.51 121.24 1cnp h ILE 13 Ca 0.08 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 64.99 1cnp h ILE 13 Cb 0.25 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 1cnp h ILE 13 CO -0.00 0.35 -0.41 1.23 0.00 0.00 0.00 178.15 179.32 1cnp h GLY 14 N 0.65 -0.64 0.86 5.37 0.00 -0.35 -2.64 103.07 106.34 1cnp h GLY 14 Ca 0.14 0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.95 1cnp h GLY 14 CO 0.02 -0.22 0.05 -2.22 0.00 0.00 0.00 176.54 174.17 1cnp h ILE 15 N -0.45 1.22 0.00 2.60 1.08 -1.08 -3.34 117.51 117.55 1cnp h ILE 15 Ca 0.09 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 1cnp h ILE 15 Cb 0.61 1.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.61 1cnp h ILE 15 CO -0.43 0.23 0.00 0.33 -0.69 0.00 0.00 178.15 177.60 1cnp n PHE 16 N -4.72 0.00 0.17 1.37 7.35 0.35 -0.87 117.46 121.11 1cnp n PHE 16 Ca -0.03 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.72 1cnp n PHE 16 Cb 0.19 -0.05 0.23 0.00 0.35 0.00 0.00 39.48 40.20 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 -1.14 0.95 -0.16 -5.13 1.44 -1.25 -4.41 115.22 105.51 1cnp n HIS 17 Ca 0.00 -0.38 0.25 0.00 -2.01 0.00 0.00 57.72 55.57 1cnp n HIS 17 Cb 0.00 -0.16 0.67 0.00 0.12 0.00 0.00 29.99 30.62 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 2.70 0.10 0.00 -1.40 1.63 -1.12 -0.22 116.57 118.26 1cnp h LYS 18 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1cnp h LYS 18 Cb 1.00 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 1cnp h LYS 18 CO 0.14 0.06 0.00 0.66 -3.45 0.00 0.00 179.45 176.86 1cnp n TYR 19 N -4.35 0.00 -0.51 1.91 4.01 -1.26 -3.73 117.16 113.23 1cnp n TYR 19 Ca 0.17 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.88 1cnp n TYR 19 Cb 0.84 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.82 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 -0.86 4.03 0.00 7.72 7.64 -0.09 -4.55 113.62 127.51 1cnp n SER 20 Ca 0.12 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.87 1cnp n SER 20 Cb 0.06 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 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 1.97 0.98 2.69 0.23 0.00 -1.24 -4.36 105.19 105.47 1cnp n GLY 21 Ca 0.12 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.92 -1.43 1.61 4.81 -1.25 -5.00 118.16 117.82 1cnp n LYS 22 Ca 0.00 -2.44 -0.40 0.00 -0.87 0.00 0.00 58.31 54.61 1cnp n LYS 22 Cb 0.00 0.27 -0.02 0.00 0.02 0.00 0.00 35.03 35.30 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 -1.40 2.69 -2.38 1.64 0.00 -1.26 -4.47 120.64 115.46 1cnp n GLU 23 Ca -0.02 -2.26 -0.43 0.00 0.00 0.00 0.00 57.16 54.46 1cnp n GLU 23 Cb 0.44 -3.03 -0.02 0.00 0.00 0.00 0.00 31.44 28.83 1cnp n GLU 23 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1cnp s GLY 24 N 3.36 1.84 -1.34 -1.84 0.00 -1.26 -4.92 107.32 103.16 1cnp s GLY 24 Ca 0.53 0.61 -0.13 0.00 0.00 0.00 0.00 44.72 45.73 1cnp s GLY 24 CO -0.04 2.43 2.39 1.34 0.00 0.00 0.00 173.10 179.22 1cnp n ASP 25 N 5.94 5.26 -4.75 1.64 2.03 -1.26 -4.75 116.55 120.66 1cnp n ASP 25 Ca 0.13 -2.67 -0.39 0.00 0.52 0.00 0.00 54.79 52.37 1cnp n ASP 25 Cb 0.45 -1.48 -0.05 0.00 -0.72 0.00 0.00 41.12 39.32 1cnp n ASP 25 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1cnp s LYS 26 N 3.19 4.38 0.00 -0.67 1.02 -1.26 -4.97 119.74 121.43 1cnp s LYS 26 Ca 0.55 0.80 0.14 0.00 0.02 0.00 0.00 55.97 57.48 1cnp s LYS 26 Cb 0.15 -3.38 0.42 0.00 -0.52 0.00 0.00 37.83 34.50 1cnp s LYS 26 CO -0.04 0.26 1.34 0.72 -0.92 0.00 0.00 175.35 176.71 1cnp n HIS 27 N 3.07 0.54 -3.86 3.18 8.25 -1.26 -4.67 115.22 120.47 1cnp n HIS 27 Ca -0.05 -0.27 -0.11 0.00 -0.26 0.00 0.00 57.72 57.03 1cnp n HIS 27 Cb 0.51 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.53 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 -1.46 0.10 -0.40 1.59 -4.23 -1.26 -4.55 115.64 105.43 1cnp s THR 28 Ca 0.30 -0.80 -0.19 0.00 -1.18 0.00 0.00 61.69 59.81 1cnp s THR 28 Cb 0.16 -0.71 0.01 0.00 1.34 0.00 0.00 72.50 73.29 1cnp s THR 28 CO 0.21 -0.44 0.56 -0.76 -0.54 0.00 0.00 174.62 173.64 1cnp s LEU 29 N -1.77 4.51 -1.45 4.79 1.02 -0.41 -4.98 118.68 120.39 1cnp s LEU 29 Ca -0.09 -0.28 -0.09 0.00 0.02 0.00 0.00 54.13 53.68 1cnp s LEU 29 Cb -0.04 -2.61 0.04 0.00 0.02 0.00 0.00 46.19 43.60 1cnp s LEU 29 CO -0.01 -0.63 2.47 -1.20 0.02 0.00 0.00 176.35 177.00 1cnp n SER 30 N 5.94 6.94 0.00 2.29 7.64 -1.26 -3.30 113.62 131.87 1cnp n SER 30 Ca -0.04 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 56.96 1cnp n SER 30 Cb 0.48 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 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 3.62 0.00 -0.08 1.43 4.01 -1.26 -4.29 118.16 121.59 1cnp n LYS 31 Ca 0.62 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 58.35 1cnp n LYS 31 Cb 0.29 0.00 -0.00 0.00 -0.51 0.00 0.00 35.03 34.81 1cnp n LYS 31 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1cnp h LYS 32 N 0.00 -0.13 -0.66 1.97 1.57 -1.99 0.18 116.57 117.51 1cnp h LYS 32 Ca 0.00 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.92 1cnp h LYS 32 Cb 0.00 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.24 1cnp h LYS 32 CO 0.00 -0.09 0.14 0.93 -0.57 0.00 0.00 179.45 179.86 1cnp h GLU 33 N -0.14 0.25 -0.30 3.15 3.07 -1.80 0.14 114.58 118.94 1cnp h GLU 33 Ca 0.16 -0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 58.83 1cnp h GLU 33 Cb 0.39 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1cnp h GLU 33 CO -0.40 0.16 -0.52 1.25 -1.40 0.00 0.00 179.01 178.10 1cnp h LEU 34 N 0.25 0.98 -0.69 1.33 5.85 -1.31 0.48 115.31 122.21 1cnp h LEU 34 Ca 0.36 -0.52 0.14 0.00 0.84 0.00 0.00 57.88 58.69 1cnp h LEU 34 Cb 0.57 -0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.22 1cnp h LEU 34 CO -0.46 1.32 0.18 0.50 -0.34 0.00 0.00 178.44 179.64 1cnp h LYS 35 N 0.68 0.30 -0.50 1.25 3.11 0.07 0.44 116.57 121.92 1cnp h LYS 35 Ca 0.02 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1cnp h LYS 35 Cb 1.13 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 32.27 1cnp h LYS 35 CO 0.12 0.20 -0.01 1.49 -2.81 0.00 0.00 179.45 178.43 1cnp h GLU 36 N 0.30 0.89 0.23 1.90 4.57 -0.30 -3.24 114.58 118.92 1cnp h GLU 36 Ca 0.38 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1cnp h GLU 36 Cb 0.59 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1cnp h GLU 36 CO -0.44 0.92 -0.20 1.25 -1.18 0.00 0.00 179.01 179.36 1cnp h LEU 37 N 0.75 -0.55 -0.32 1.64 6.46 0.05 -3.27 115.31 120.07 1cnp h LEU 37 Ca 0.14 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1cnp h LEU 37 Cb 0.53 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 1cnp h LEU 37 CO 0.03 -0.28 0.00 2.30 -0.62 0.00 0.00 178.44 179.87 1cnp n ILE 38 N -3.55 0.00 0.00 4.05 -5.35 0.06 -2.69 119.36 111.88 1cnp n ILE 38 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1cnp n ILE 38 Cb 0.19 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 1cnp n ILE 38 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1cnp n GLN 39 N -0.18 0.00 -0.78 6.28 6.02 -1.23 -4.62 117.38 122.87 1cnp n GLN 39 Ca 0.00 0.17 -0.15 0.00 -0.01 0.00 0.00 57.00 57.01 1cnp n GLN 39 Cb 0.00 -0.63 0.11 0.00 1.02 0.00 0.00 30.24 30.74 1cnp n GLN 39 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1cnp n LYS 40 N -2.11 1.80 0.00 -1.09 2.85 -1.12 -4.79 118.16 113.70 1cnp n LYS 40 Ca 0.00 -1.88 0.00 0.00 -1.05 0.00 0.00 58.31 55.38 1cnp n LYS 40 Cb 0.00 -1.74 0.00 0.00 -0.65 0.00 0.00 35.03 32.64 1cnp n LYS 40 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1cnp n GLU 41 N -0.48 0.00 -0.09 -1.58 0.28 -1.09 -4.99 120.64 112.69 1cnp n GLU 41 Ca 0.37 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.29 1cnp n GLU 41 Cb 1.18 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 34.02 1cnp n GLU 41 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1cnp n LEU 42 N 0.00 1.85 0.00 -1.84 4.77 -1.26 -4.94 117.00 115.58 1cnp n LEU 42 Ca 0.00 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1cnp n LEU 42 Cb 0.00 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 1cnp n LEU 42 CO 0.00 -0.29 0.02 0.35 -1.33 0.00 0.00 177.39 176.15 1cnp n THR 43 N -4.38 0.00 0.00 -5.08 -2.24 -1.26 -4.87 114.28 96.45 1cnp n THR 43 Ca -0.13 0.55 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 1cnp n THR 43 Cb 0.49 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 1cnp n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cnp n ILE 44 N -0.05 0.00 0.00 2.28 0.00 -1.26 -4.99 119.36 115.34 1cnp n ILE 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 1cnp n ILE 44 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 39.64 38.56 1cnp n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1cnp n GLY 45 N 3.07 0.01 2.27 4.50 0.00 -1.26 -4.95 105.19 108.83 1cnp n GLY 45 Ca 0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 4.57 -4.34 1.61 7.64 -1.26 -4.61 113.62 117.23 1cnp n SER 46 Ca 0.00 -2.26 -0.38 0.00 1.01 0.00 0.00 58.87 57.23 1cnp n SER 46 Cb 0.00 -1.09 -0.05 0.00 -1.01 0.00 0.00 64.21 62.06 1cnp n SER 46 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1cnp n LYS 47 N 3.12 -2.11 -0.26 1.43 2.85 -1.26 -4.84 118.16 117.09 1cnp n LYS 47 Ca 0.39 0.27 0.04 0.00 -1.05 0.00 0.00 58.31 57.96 1cnp n LYS 47 Cb 0.48 -4.84 0.14 0.00 -0.65 0.00 0.00 35.03 30.16 1cnp n LYS 47 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1cnp h LEU 48 N -1.29 -0.50 0.00 -5.58 3.38 -1.93 -3.36 115.31 106.03 1cnp h LEU 48 Ca -0.60 0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1cnp h LEU 48 Cb 1.39 0.40 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1cnp h LEU 48 CO 0.82 -0.22 0.00 0.00 0.09 0.00 0.00 178.44 179.13 1cnp n GLN 49 N -5.41 0.00 0.00 1.13 -0.00 -1.26 -5.12 117.38 106.72 1cnp n GLN 49 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.13 1cnp n GLN 49 Cb 0.45 -0.05 0.00 0.00 -0.00 0.00 0.00 30.24 30.65 1cnp n GLN 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1cnp n ASP 50 N -2.07 0.00 0.00 2.61 -0.08 -1.26 -4.89 116.55 110.86 1cnp n ASP 50 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1cnp n ASP 50 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1cnp n ASP 50 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cnp n ALA 51 N -3.00 0.00 -0.23 -1.67 0.00 -1.26 -4.34 120.51 110.01 1cnp n ALA 51 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1cnp n ALA 51 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 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 0.32 0.07 0.00 9.09 -1.95 0.32 114.58 122.42 1cnp h GLU 52 Ca 0.00 -0.02 -0.14 0.00 0.05 0.00 0.00 59.36 59.25 1cnp h GLU 52 Cb 0.00 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.03 1cnp h GLU 52 CO 0.00 0.21 -0.66 0.82 0.05 0.00 0.00 179.01 179.43 1cnp h ILE 53 N 0.33 1.47 -0.77 -1.06 1.08 -1.97 -3.27 117.51 113.31 1cnp h ILE 53 Ca 0.38 -2.40 0.15 0.00 -0.39 0.00 0.00 64.86 62.60 1cnp h ILE 53 Cb 0.60 3.08 -0.05 0.00 -3.07 0.00 0.00 36.82 37.37 1cnp h ILE 53 CO -0.44 0.63 0.51 0.58 -0.69 0.00 0.00 178.15 178.75 1cnp h VAL 54 N -0.67 0.80 -0.23 1.67 2.07 -1.92 0.11 116.25 118.07 1cnp h VAL 54 Ca -0.14 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.29 1cnp h VAL 54 Cb 1.38 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1cnp h VAL 54 CO 0.04 0.08 0.17 0.11 0.02 0.00 0.00 177.57 177.99 1cnp h LYS 55 N 0.45 0.00 -0.60 1.57 1.79 -0.42 0.20 116.57 119.56 1cnp h LYS 55 Ca 0.38 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 59.02 1cnp h LYS 55 Cb 0.84 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.47 1cnp h LYS 55 CO -0.13 0.00 0.43 1.25 -1.08 0.00 0.00 179.45 179.92 1cnp h LEU 56 N 0.00 0.05 0.00 2.94 6.46 -0.85 -0.68 115.31 123.23 1cnp h LEU 56 Ca 0.11 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1cnp h LEU 56 Cb 0.45 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1cnp h LEU 56 CO -0.00 0.03 -0.39 0.80 -0.62 0.00 0.00 178.44 178.26 1cnp n MET 57 N -4.38 0.34 -0.23 1.25 1.56 0.47 -4.60 117.12 111.53 1cnp n MET 57 Ca 0.11 0.46 0.04 0.00 -0.27 0.00 0.00 57.70 58.04 1cnp n MET 57 Cb 0.64 -1.46 0.15 0.00 2.15 0.00 0.00 33.22 34.70 1cnp n MET 57 CO 0.00 0.00 0.00 0.22 -0.73 0.00 0.00 175.97 175.46 1cnp h ASP 58 N -0.75 -0.13 -0.13 6.12 1.82 -0.66 -0.77 116.42 121.92 1cnp h ASP 58 Ca 0.00 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1cnp h ASP 58 Cb 0.39 0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.64 1cnp h ASP 58 CO 0.00 -0.08 0.00 0.47 -1.61 0.00 0.00 179.24 178.02 1cnp n ASP 59 N -5.22 1.78 -0.03 2.28 9.92 -0.28 -3.93 116.55 121.06 1cnp n ASP 59 Ca 0.12 -2.16 -0.02 0.00 -0.53 0.00 0.00 54.79 52.20 1cnp n ASP 59 Cb 0.42 -0.45 -0.01 0.00 -0.64 0.00 0.00 41.12 40.45 1cnp n ASP 59 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1cnp n LEU 60 N 0.10 0.79 -0.68 0.64 4.77 -0.29 -4.36 117.00 117.96 1cnp n LEU 60 Ca 0.06 0.41 0.52 0.00 -0.03 0.00 0.00 56.01 56.96 1cnp n LEU 60 Cb 0.39 -0.66 0.81 0.00 -2.33 0.00 0.00 43.42 41.63 1cnp n LEU 60 CO 0.06 -0.49 1.46 0.44 -1.33 0.00 0.00 177.39 177.54 1cnp h ASP 61 N -0.43 0.02 0.00 -1.43 5.19 -1.72 -2.27 116.42 115.79 1cnp h ASP 61 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1cnp h ASP 61 Cb 0.23 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.76 1cnp h ASP 61 CO 0.00 -0.03 0.00 -1.14 -3.12 0.00 0.00 179.24 174.95 1cnp n ARG 62 N -4.03 0.00 -0.16 3.56 0.63 -1.26 -4.47 116.66 110.93 1cnp n ARG 62 Ca 0.44 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 57.33 1cnp n ARG 62 Cb 1.97 -1.03 -0.04 0.00 0.45 0.00 0.00 32.46 33.81 1cnp n ARG 62 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1cnp n ASN 63 N 0.64 -0.40 -2.60 6.15 5.15 -0.86 -4.79 115.26 118.55 1cnp n ASN 63 Ca 0.00 0.94 -0.06 0.00 -0.60 0.00 0.00 54.58 54.86 1cnp n ASN 63 Cb 0.00 -0.22 -0.00 0.00 -0.53 0.00 0.00 39.78 39.03 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 -3.92 -2.73 -0.03 1.20 -0.00 -1.26 -4.73 118.16 106.68 1cnp n LYS 64 Ca 0.01 0.17 -0.01 0.00 -0.00 0.00 0.00 58.31 58.48 1cnp n LYS 64 Cb 0.10 -4.71 -0.01 0.00 -0.00 0.00 0.00 35.03 30.41 1cnp n LYS 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1cnp n ASP 65 N -1.64 -0.07 -0.13 -5.58 2.03 -1.26 -1.73 116.55 108.16 1cnp n ASP 65 Ca -0.03 0.23 -0.23 0.00 0.52 0.00 0.00 54.79 55.27 1cnp n ASP 65 Cb 0.53 -0.07 -0.11 0.00 -0.72 0.00 0.00 41.12 40.75 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 -3.00 0.62 -3.66 -0.67 10.64 -1.26 -5.04 117.38 115.01 1cnp n GLN 66 Ca 0.00 0.20 -0.09 0.00 -1.83 0.00 0.00 57.00 55.28 1cnp n GLN 66 Cb 0.02 -1.51 -0.02 0.00 -0.86 0.00 0.00 30.24 27.87 1cnp n GLN 66 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1cnp s GLU 67 N -2.52 1.55 -0.25 2.61 2.12 -0.71 -5.06 118.70 116.46 1cnp s GLU 67 Ca -0.37 -0.75 -0.29 0.00 0.36 0.00 0.00 54.97 53.92 1cnp s GLU 67 Cb 0.12 0.60 0.01 0.00 0.26 0.00 0.00 34.13 35.12 1cnp s GLU 67 CO 0.55 -0.70 1.06 0.08 -0.54 0.00 0.00 175.26 175.72 1cnp s VAL 68 N -3.84 4.61 0.11 3.70 1.01 -1.21 -4.39 120.40 120.39 1cnp s VAL 68 Ca 0.06 1.93 0.03 0.00 0.00 0.00 0.00 61.98 64.00 1cnp s VAL 68 Cb -0.04 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1cnp s VAL 68 CO -0.02 -0.25 0.15 0.21 0.00 0.00 0.00 175.10 175.19 1cnp s ASN 69 N 1.37 5.82 0.23 3.32 2.47 -1.26 -1.29 114.94 125.59 1cnp s ASN 69 Ca 0.45 0.04 -0.13 0.00 0.42 0.00 0.00 52.86 53.64 1cnp s ASN 69 Cb -0.15 -1.63 0.28 0.00 -1.45 0.00 0.00 41.25 38.30 1cnp s ASN 69 CO 0.09 0.13 1.60 0.15 -3.72 0.00 0.00 177.10 175.34 1cnp h PHE 70 N 2.83 -0.52 -0.91 0.43 3.57 -1.97 -1.59 116.94 118.78 1cnp h PHE 70 Ca -0.47 0.07 0.12 0.00 3.53 0.00 0.00 57.97 61.22 1cnp h PHE 70 Cb 1.18 0.34 -0.07 0.00 2.79 0.00 0.00 35.95 40.19 1cnp h PHE 70 CO 0.59 -0.34 0.59 0.37 -2.23 0.00 0.00 178.31 177.29 1cnp h GLN 71 N -0.03 0.80 0.43 1.11 -0.00 -1.97 0.87 115.11 116.31 1cnp h GLN 71 Ca 0.34 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.92 1cnp h GLN 71 Cb 0.55 -0.18 0.00 0.00 0.00 0.00 0.00 27.48 27.86 1cnp h GLN 71 CO -0.77 0.53 -0.20 0.93 0.00 0.00 0.00 178.83 179.31 1cnp h GLU 72 N 0.82 -0.55 -0.92 1.69 5.08 -1.64 -3.19 114.58 115.88 1cnp h GLU 72 Ca 0.45 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 59.00 1cnp h GLU 72 Cb 0.56 0.13 -0.16 0.00 0.50 0.00 0.00 28.75 29.78 1cnp h GLU 72 CO -0.21 -0.37 -0.32 0.98 -1.00 0.00 0.00 179.01 178.10 1cnp n TYR 73 N -4.51 0.12 0.16 4.33 4.19 -0.84 -0.53 117.16 120.09 1cnp n TYR 73 Ca -0.07 1.13 0.02 0.00 3.31 0.00 0.00 57.90 62.29 1cnp n TYR 73 Cb 0.23 -0.90 0.37 0.00 0.49 0.00 0.00 39.34 39.52 1cnp n TYR 73 CO 0.00 0.00 0.00 0.97 0.91 0.00 0.00 176.86 178.74 1cnp h ILE 74 N 0.00 1.23 0.33 2.97 6.09 -0.95 -3.17 117.51 124.02 1cnp h ILE 74 Ca 0.36 -1.11 -0.01 0.00 -1.37 0.00 0.00 64.86 62.72 1cnp h ILE 74 Cb 0.59 1.54 0.00 0.00 0.47 0.00 0.00 36.82 39.41 1cnp h ILE 74 CO -0.92 0.32 -0.17 0.74 -3.07 0.00 0.00 178.15 175.05 1cnp h THR 75 N 0.08 0.65 -0.14 2.19 2.02 -0.79 0.64 112.91 117.55 1cnp h THR 75 Ca 0.01 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.01 1cnp h THR 75 Cb 0.57 0.65 0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1cnp h THR 75 CO 0.04 0.00 -0.62 2.19 0.37 0.00 0.00 175.52 177.50 1cnp h PHE 76 N -0.46 0.88 -0.57 3.16 -0.00 -1.61 0.28 116.94 118.62 1cnp h PHE 76 Ca -0.04 -0.38 0.10 0.00 -0.00 0.00 0.00 57.97 57.65 1cnp h PHE 76 Cb 0.36 -0.14 -0.11 0.00 -0.00 0.00 0.00 35.95 36.07 1cnp h PHE 76 CO -0.07 1.19 -0.33 -0.07 -0.00 0.00 0.00 178.31 179.03 1cnp h LEU 77 N 0.33 -1.15 -0.02 2.10 3.38 -1.52 0.63 115.31 119.05 1cnp h LEU 77 Ca -0.04 0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1cnp h LEU 77 Cb 1.25 0.57 -0.06 0.00 0.09 0.00 0.00 40.66 42.51 1cnp h LEU 77 CO 0.13 -0.31 -0.45 1.23 0.09 0.00 0.00 178.44 179.13 1cnp h GLY 78 N -0.17 -0.86 0.17 0.83 0.00 -0.36 0.21 103.07 102.90 1cnp h GLY 78 Ca 0.22 0.55 0.02 0.00 0.00 0.00 0.00 47.33 48.13 1cnp h GLY 78 CO -0.66 -0.24 -0.45 0.00 0.00 0.00 0.00 176.54 175.18 1cnp h ALA 79 N -0.11 -0.79 -0.20 3.60 0.00 -0.34 -2.85 119.26 118.56 1cnp h ALA 79 Ca 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1cnp h ALA 79 Cb 0.67 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1cnp h ALA 79 CO -0.34 -1.02 -0.05 -0.07 0.00 0.00 0.00 179.25 177.77 1cnp h LEU 80 N -0.65 0.28 -0.96 0.00 3.38 -0.68 -2.18 115.31 114.51 1cnp h LEU 80 Ca 0.03 -0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.16 1cnp h LEU 80 Cb 0.69 -0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.25 1cnp h LEU 80 CO -0.29 0.38 0.52 0.00 0.09 0.00 0.00 178.44 179.14 1cnp h ALA 81 N 1.66 1.61 -0.80 1.53 0.00 -0.71 0.26 119.26 122.81 1cnp h ALA 81 Ca 0.07 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.22 1cnp h ALA 81 Cb 0.29 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1cnp h ALA 81 CO 0.01 -0.22 0.52 0.52 0.00 0.00 0.00 179.25 180.08 1cnp h MET 82 N 0.57 0.61 0.00 0.00 2.86 -1.42 0.27 114.93 117.82 1cnp h MET 82 Ca 0.59 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 58.15 1cnp h MET 82 Cb 1.05 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 1cnp h MET 82 CO -0.46 0.41 -0.36 0.82 1.06 0.00 0.00 176.91 178.38 1cnp h ILE 83 N 0.63 0.55 0.00 -1.22 2.04 -0.73 -3.42 117.51 115.36 1cnp h ILE 83 Ca 0.38 -1.50 -0.04 0.00 1.00 0.00 0.00 64.86 64.71 1cnp h ILE 83 Cb 0.61 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1cnp h ILE 83 CO -0.15 0.19 -1.10 0.00 0.00 0.00 0.00 178.15 177.09 1cnp n TYR 84 N -4.64 0.98 0.03 1.37 0.18 0.08 -4.65 117.16 110.51 1cnp n TYR 84 Ca -0.10 0.29 -0.01 0.00 1.88 0.00 0.00 57.90 59.96 1cnp n TYR 84 Cb 0.29 -0.99 -0.01 0.00 -0.38 0.00 0.00 39.34 38.26 1cnp n TYR 84 CO 0.00 0.00 0.00 -0.97 -2.08 0.00 0.00 176.86 173.81 1cnp h ASN 85 N 0.00 -0.07 -0.46 9.48 -1.24 -1.14 -3.50 115.58 118.64 1cnp h ASN 85 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.98 1cnp h ASN 85 Cb 1.13 0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.20 1cnp h ASN 85 CO 0.01 -0.00 0.00 1.21 -1.29 0.00 0.00 177.43 177.36 1cnp n GLU 86 N -2.51 0.00 -0.82 6.67 2.13 -1.26 -4.99 120.64 119.86 1cnp n GLU 86 Ca -0.01 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.73 1cnp n GLU 86 Cb 0.03 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.64 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 -3.00 5.48 -3.92 4.31 0.00 -1.26 -4.50 120.51 117.63 1cnp n ALA 87 Ca 0.00 -1.17 -0.27 0.00 0.00 0.00 0.00 53.44 52.01 1cnp n ALA 87 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 2.08 -2.45 -2.89 0.00 4.77 -1.26 -3.74 117.00 113.51 1cnp n LEU 88 Ca 0.27 -0.92 -0.03 0.00 -0.03 0.00 0.00 56.01 55.31 1cnp n LEU 88 Cb 0.75 -2.38 0.00 0.00 -2.33 0.00 0.00 43.42 39.46 1cnp n LEU 88 CO 0.08 0.41 0.22 0.29 -1.33 0.00 0.00 177.39 177.07 1cnp n LYS 89 N -4.42 -1.61 0.00 3.23 4.76 -1.26 -5.21 118.16 113.65 1cnp n LYS 89 Ca -0.19 1.66 0.00 0.00 -2.87 0.00 0.00 58.31 56.91 1cnp n LYS 89 Cb 0.63 -5.48 0.00 0.00 -1.84 0.00 0.00 35.03 28.33 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44