#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 1.03 -1.78 3.17 0.00 -1.26 -4.85 120.51 116.82 1cnp n ALA 2 Ca 0.00 -0.80 -0.37 0.00 0.00 0.00 0.00 53.44 52.27 1cnp n ALA 2 Cb 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 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 -6.07 7.07 0.43 0.00 0.15 -1.26 -4.93 113.70 109.09 1cnp s SER 3 Ca -0.28 1.92 0.13 0.00 0.70 0.00 0.00 55.95 58.41 1cnp s SER 3 Cb 0.05 -2.58 1.00 0.00 -1.71 0.00 0.00 66.02 62.78 1cnp s SER 3 CO 0.41 -0.27 1.99 1.55 1.20 0.00 0.00 173.24 178.12 1cnp h PRO 4 N 2.81 0.42 0.19 5.44 0.13 -1.98 0.92 132.00 139.92 1cnp h PRO 4 Ca -0.48 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1cnp h PRO 4 Cb 1.20 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1cnp h PRO 4 CO 0.64 0.28 -0.09 -0.07 -0.23 0.00 0.00 178.00 178.52 1cnp h LEU 5 N 0.43 -0.21 -0.58 1.56 3.38 -1.99 0.67 115.31 118.58 1cnp h LEU 5 Ca 0.26 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1cnp h LEU 5 Cb 0.46 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1cnp h LEU 5 CO -0.07 0.16 0.37 -2.24 0.09 0.00 0.00 178.44 176.75 1cnp h ASP 6 N -0.63 0.68 -0.21 -0.43 3.04 -1.85 -0.17 116.42 116.84 1cnp h ASP 6 Ca -0.03 -0.04 0.05 0.00 -3.24 0.00 0.00 57.03 53.78 1cnp h ASP 6 Cb 0.46 -0.17 -0.06 0.00 -1.04 0.00 0.00 39.33 38.52 1cnp h ASP 6 CO 0.04 0.51 -0.15 1.56 -2.04 0.00 0.00 179.24 179.17 1cnp h GLN 7 N 0.78 -0.14 -0.17 4.15 4.20 -0.84 0.21 115.11 123.31 1cnp h GLN 7 Ca 0.21 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.96 1cnp h GLN 7 Cb -0.06 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1cnp h GLN 7 CO -0.04 -0.09 -0.05 0.00 -0.67 0.00 0.00 178.83 177.98 1cnp h ALA 8 N 0.99 0.10 -0.44 3.87 0.00 0.02 0.24 119.26 124.05 1cnp h ALA 8 Ca 0.12 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1cnp h ALA 8 Cb 0.33 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1cnp h ALA 8 CO -0.30 -0.49 0.26 0.82 0.00 0.00 0.00 179.25 179.55 1cnp h ILE 9 N -0.01 1.05 -0.71 0.00 1.08 -0.79 -0.10 117.51 118.04 1cnp h ILE 9 Ca 0.08 -0.18 0.14 0.00 -0.39 0.00 0.00 64.86 64.51 1cnp h ILE 9 Cb 0.13 0.47 -0.10 0.00 -3.07 0.00 0.00 36.82 34.26 1cnp h ILE 9 CO -0.18 0.10 0.23 1.23 -0.69 0.00 0.00 178.15 178.84 1cnp h GLY 10 N 0.53 1.03 0.51 5.37 0.00 0.09 0.50 103.07 111.10 1cnp h GLY 10 Ca 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 1cnp h GLY 10 CO -0.08 -0.13 -0.25 -2.00 0.00 0.00 0.00 176.54 174.09 1cnp h LEU 11 N 0.36 -0.59 0.39 3.11 5.85 0.33 0.37 115.31 125.13 1cnp h LEU 11 Ca 0.39 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.11 1cnp h LEU 11 Cb 0.61 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1cnp h LEU 11 CO -0.43 -0.30 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.12 1cnp h LEU 12 N -0.93 -0.44 0.03 2.25 3.38 -0.91 -3.27 115.31 115.41 1cnp h LEU 12 Ca -0.07 -0.12 -0.31 0.00 0.09 0.00 0.00 57.88 57.46 1cnp h LEU 12 Cb 0.53 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1cnp h LEU 12 CO 0.12 -0.03 -1.82 -0.38 0.09 0.00 0.00 178.44 176.42 1cnp n ILE 13 N -5.16 1.63 0.38 1.22 5.41 0.15 -3.43 119.36 119.56 1cnp n ILE 13 Ca -0.09 -0.77 -0.15 0.00 1.00 0.00 0.00 62.75 62.74 1cnp n ILE 13 Cb 0.28 -1.15 -0.07 0.00 -0.71 0.00 0.00 39.64 37.98 1cnp n ILE 13 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1cnp h GLY 14 N 3.02 -1.01 -0.77 7.39 0.00 0.12 -2.32 103.07 109.50 1cnp h GLY 14 Ca -0.33 0.37 0.36 0.00 0.00 0.00 0.00 47.33 47.73 1cnp h GLY 14 CO 0.08 -0.37 0.50 -2.22 0.00 0.00 0.00 176.54 174.53 1cnp h ILE 15 N -1.03 0.14 -0.13 2.60 2.04 -1.10 0.18 117.51 120.22 1cnp h ILE 15 Ca -0.10 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.75 1cnp h ILE 15 Cb 0.74 -0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 1cnp h ILE 15 CO 0.16 0.03 -0.47 0.15 0.00 0.00 0.00 178.15 178.02 1cnp h PHE 16 N 0.14 -1.38 -0.00 1.37 3.57 -1.44 0.11 116.94 119.32 1cnp h PHE 16 Ca 0.77 0.05 0.00 0.00 3.53 0.00 0.00 57.97 62.32 1cnp h PHE 16 Cb 1.88 0.62 0.00 0.00 2.79 0.00 0.00 35.95 41.24 1cnp h PHE 16 CO -0.06 -0.51 -0.37 -2.39 -2.23 0.00 0.00 178.31 172.75 1cnp n HIS 17 N -5.44 0.00 0.25 0.41 1.44 -0.78 -3.71 115.22 107.39 1cnp n HIS 17 Ca -0.05 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.51 1cnp n HIS 17 Cb 0.37 -0.18 -0.08 0.00 0.12 0.00 0.00 29.99 30.22 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 0.65 -0.58 -6.69 -1.40 3.64 0.28 0.18 116.57 112.65 1cnp h LYS 18 Ca 0.00 0.04 -0.53 0.00 -1.27 0.00 0.00 60.65 58.89 1cnp h LYS 18 Cb 0.50 0.13 0.05 0.00 -0.41 0.00 0.00 32.23 32.51 1cnp h LYS 18 CO 0.00 -0.32 0.80 0.71 -2.27 0.00 0.00 179.45 178.37 1cnp s TYR 19 N -5.55 3.03 -1.00 1.91 1.51 0.29 -0.32 117.35 117.22 1cnp s TYR 19 Ca -0.16 0.88 0.00 0.00 -1.01 0.00 0.00 57.07 56.78 1cnp s TYR 19 Cb 0.03 -3.86 0.00 0.00 -0.11 0.00 0.00 41.96 38.02 1cnp s TYR 19 CO 0.59 -2.95 0.00 0.45 -1.11 0.00 0.00 175.55 172.53 1cnp n SER 20 N 2.93 -3.57 0.00 2.29 2.88 -1.26 -4.62 113.62 112.27 1cnp n SER 20 Ca 0.09 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1cnp n SER 20 Cb 0.40 -3.01 0.00 0.00 -0.75 0.00 0.00 64.21 60.85 1cnp n SER 20 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1cnp n GLY 21 N 0.01 0.09 3.92 0.46 0.00 -0.73 -4.87 105.19 104.07 1cnp n GLY 21 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1cnp n GLY 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cnp n LYS 22 N 0.00 -4.76 0.00 1.61 4.76 0.56 -3.73 118.16 116.61 1cnp n LYS 22 Ca 0.00 0.54 0.00 0.00 -2.87 0.00 0.00 58.31 55.98 1cnp n LYS 22 Cb 0.00 -5.24 0.00 0.00 -1.84 0.00 0.00 35.03 27.95 1cnp n LYS 22 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1cnp n GLU 23 N -4.52 0.00 0.00 1.97 -0.58 0.53 -4.87 120.64 113.18 1cnp n GLU 23 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1cnp n GLU 23 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 1cnp n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1cnp n GLY 24 N 0.00 0.36 0.00 0.62 0.00 -1.24 -4.60 105.19 100.33 1cnp n GLY 24 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1cnp n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cnp n ASP 25 N 0.93 0.00 -4.26 1.61 5.75 -1.26 -5.08 116.55 114.23 1cnp n ASP 25 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.40 1cnp n ASP 25 Cb 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 1cnp n ASP 25 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1cnp s LYS 26 N 3.06 2.59 -0.03 0.11 3.01 -1.26 -4.96 119.74 122.25 1cnp s LYS 26 Ca 0.00 -1.22 -0.01 0.00 -1.01 0.00 0.00 55.97 53.73 1cnp s LYS 26 Cb 0.00 -3.46 0.03 0.00 -1.01 0.00 0.00 37.83 33.39 1cnp s LYS 26 CO 0.00 -0.69 0.03 -1.01 0.51 0.00 0.00 175.35 174.20 1cnp s HIS 27 N 1.38 0.09 0.79 3.18 3.76 -1.26 -5.11 115.29 118.12 1cnp s HIS 27 Ca -0.01 0.14 -0.09 0.00 -0.15 0.00 0.00 55.06 54.95 1cnp s HIS 27 Cb -0.20 -0.35 0.11 0.00 1.11 0.00 0.00 32.58 33.25 1cnp s HIS 27 CO 0.02 -0.13 1.12 0.95 -0.85 0.00 0.00 174.74 175.85 1cnp s THR 28 N 1.42 2.14 0.08 1.30 -4.23 -1.26 -4.22 115.64 110.86 1cnp s THR 28 Ca -0.05 -0.19 0.02 0.00 -1.18 0.00 0.00 61.69 60.29 1cnp s THR 28 Cb -0.13 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 1cnp s THR 28 CO -0.03 0.00 0.14 -0.76 -0.54 0.00 0.00 174.62 173.43 1cnp s LEU 29 N -5.45 4.03 0.42 4.79 1.02 0.07 -4.65 118.68 118.91 1cnp s LEU 29 Ca 0.65 0.10 0.06 0.00 0.02 0.00 0.00 54.13 54.95 1cnp s LEU 29 Cb -0.08 -2.68 -0.07 0.00 0.02 0.00 0.00 46.19 43.38 1cnp s LEU 29 CO 0.47 0.16 0.01 -0.94 0.02 0.00 0.00 176.35 176.08 1cnp s SER 30 N -2.49 3.83 0.53 2.29 1.04 -1.26 -1.40 113.70 116.24 1cnp s SER 30 Ca 0.32 -1.42 0.29 0.00 0.48 0.00 0.00 55.95 55.61 1cnp s SER 30 Cb -0.12 -0.22 1.43 0.00 0.10 0.00 0.00 66.02 67.21 1cnp s SER 30 CO 0.25 -0.53 1.93 0.50 0.98 0.00 0.00 173.24 176.36 1cnp h LYS 31 N 1.72 0.02 -0.10 4.02 3.64 -1.96 -2.19 116.57 121.72 1cnp h LYS 31 Ca -0.44 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.89 1cnp h LYS 31 Cb 1.25 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1cnp h LYS 31 CO 0.79 0.02 -0.16 1.57 -2.27 0.00 0.00 179.45 179.39 1cnp h LYS 32 N 0.02 0.16 0.02 1.90 2.10 -2.00 0.12 116.57 118.89 1cnp h LYS 32 Ca 0.37 -0.04 -0.31 0.00 -2.00 0.00 0.00 60.65 58.67 1cnp h LYS 32 Cb 1.44 -0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 32.70 1cnp h LYS 32 CO -0.01 0.33 -1.82 -0.85 -2.00 0.00 0.00 179.45 175.10 1cnp n GLU 33 N -4.27 0.66 -0.32 0.07 0.00 -0.85 -3.97 120.64 111.96 1cnp n GLU 33 Ca -0.01 0.27 0.10 0.00 0.00 0.00 0.00 57.16 57.51 1cnp n GLU 33 Cb 0.27 -1.76 0.27 0.00 0.00 0.00 0.00 31.44 30.22 1cnp n GLU 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1cnp h LEU 34 N 0.01 0.64 -0.98 -1.84 -0.00 -1.18 0.29 115.31 112.26 1cnp h LEU 34 Ca -0.33 0.09 0.32 0.00 -0.00 0.00 0.00 57.88 57.96 1cnp h LEU 34 Cb 2.03 -0.01 -0.17 0.00 -0.00 0.00 0.00 40.66 42.51 1cnp h LEU 34 CO 0.07 0.25 0.26 0.50 -0.00 0.00 0.00 178.44 179.52 1cnp h LYS 35 N 0.69 0.05 0.04 1.13 3.64 -0.91 0.12 116.57 121.34 1cnp h LYS 35 Ca 0.52 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.89 1cnp h LYS 35 Cb 0.76 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1cnp h LYS 35 CO -0.37 0.03 -0.02 1.49 -2.27 0.00 0.00 179.45 178.31 1cnp h GLU 36 N 0.05 -0.05 -0.72 1.90 4.81 -0.72 -3.34 114.58 116.51 1cnp h GLU 36 Ca 0.68 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 60.06 1cnp h GLU 36 Cb 1.57 0.01 -0.14 0.00 0.63 0.00 0.00 28.75 30.83 1cnp h GLU 36 CO -0.82 0.55 -0.17 1.25 -0.73 0.00 0.00 179.01 179.10 1cnp h LEU 37 N -0.94 -0.65 -0.88 1.64 6.46 0.30 0.14 115.31 121.38 1cnp h LEU 37 Ca -0.01 0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1cnp h LEU 37 Cb 0.63 0.44 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 1cnp h LEU 37 CO 0.01 -0.23 0.00 0.16 -0.62 0.00 0.00 178.44 177.75 1cnp h ILE 38 N 0.01 0.00 0.00 4.05 3.07 -0.98 -1.16 117.51 122.49 1cnp h ILE 38 Ca 0.35 -0.43 -0.02 0.00 1.55 0.00 0.00 64.86 66.31 1cnp h ILE 38 Cb 0.54 1.32 -0.00 0.00 -0.27 0.00 0.00 36.82 38.40 1cnp h ILE 38 CO -0.74 0.00 -0.47 1.56 -1.05 0.00 0.00 178.15 177.45 1cnp h GLN 39 N 0.00 0.00 0.00 0.16 4.20 -0.96 -3.42 115.11 115.09 1cnp h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1cnp h GLN 39 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1cnp h GLN 39 CO 0.00 0.11 0.00 1.63 -0.67 0.00 0.00 178.83 179.90 1cnp n LYS 40 N -4.63 0.00 -0.25 1.46 5.02 0.13 -4.20 118.16 115.69 1cnp n LYS 40 Ca -0.08 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.41 1cnp n LYS 40 Cb 0.26 -0.32 0.53 0.00 -0.02 0.00 0.00 35.03 35.48 1cnp n LYS 40 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1cnp h GLU 41 N 0.00 0.36 0.00 1.97 3.07 -1.49 0.13 114.58 118.62 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 0.24 0.00 1.28 -1.40 0.00 0.00 179.01 179.13 1cnp n LEU 42 N -4.50 0.00 0.00 1.33 4.77 -0.53 -4.84 117.00 113.23 1cnp n LEU 42 Ca 0.20 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1cnp n LEU 42 Cb 0.74 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1cnp n LEU 42 CO 0.31 -0.23 0.00 0.41 -1.33 0.00 0.00 177.39 176.55 1cnp n THR 43 N -1.29 0.00 0.31 -5.08 -1.04 0.44 -0.46 114.28 107.17 1cnp n THR 43 Ca 0.03 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.20 1cnp n THR 43 Cb 0.05 0.00 0.60 0.00 -1.82 0.00 0.00 70.33 69.16 1cnp n THR 43 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1cnp h ILE 44 N 0.00 0.00 0.12 12.58 1.08 -1.89 0.25 117.51 129.64 1cnp h ILE 44 Ca 0.00 -0.48 -0.01 0.00 -0.39 0.00 0.00 64.86 63.98 1cnp h ILE 44 Cb 0.00 1.42 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1cnp h ILE 44 CO 0.00 0.00 -0.06 1.23 -0.69 0.00 0.00 178.15 178.63 1cnp h GLY 45 N 2.32 -0.16 0.03 5.37 0.00 -1.15 -3.40 103.07 106.09 1cnp h GLY 45 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1cnp h GLY 45 CO 0.00 -0.06 -0.02 1.48 0.00 0.00 0.00 176.54 177.95 1cnp h SER 46 N -0.63 -0.04 -2.95 0.19 4.64 -1.37 -3.43 113.55 109.97 1cnp h SER 46 Ca -0.02 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.97 1cnp h SER 46 Cb 0.49 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.55 1cnp h SER 46 CO 0.03 0.03 -0.40 0.29 -0.87 0.00 0.00 176.83 175.91 1cnp n LYS 47 N -2.44 -1.83 -3.65 4.77 5.02 0.82 -0.21 118.16 120.63 1cnp n LYS 47 Ca -0.01 0.84 -0.28 0.00 -2.02 0.00 0.00 58.31 56.85 1cnp n LYS 47 Cb 0.02 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 29.63 1cnp n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1cnp n LEU 48 N -2.73 -1.94 -3.03 -0.35 4.77 -1.26 -4.92 117.00 107.54 1cnp n LEU 48 Ca -0.19 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1cnp n LEU 48 Cb 0.63 -2.30 -0.00 0.00 -2.33 0.00 0.00 43.42 39.42 1cnp n LEU 48 CO 0.23 0.28 0.19 -1.58 -1.33 0.00 0.00 177.39 175.17 1cnp s GLN 49 N -6.33 0.71 0.00 3.23 -0.44 0.71 -5.15 119.66 112.38 1cnp s GLN 49 Ca 0.53 -0.34 0.00 0.00 -2.50 0.00 0.00 55.36 53.05 1cnp s GLN 49 Cb -0.28 0.06 0.00 0.00 -1.64 0.00 0.00 33.01 31.15 1cnp s GLN 49 CO 0.66 -0.99 0.00 -0.40 0.50 0.00 0.00 175.29 175.06 1cnp n ASP 50 N 3.97 0.00 -3.64 6.67 5.75 -1.25 -4.72 116.55 123.34 1cnp n ASP 50 Ca 0.11 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.86 1cnp n ASP 50 Cb 0.58 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cnp s ALA 51 N -3.96 -1.69 0.12 2.12 0.00 -1.26 -4.94 121.76 112.15 1cnp s ALA 51 Ca 0.00 0.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.86 1cnp s ALA 51 Cb 0.00 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 1cnp s ALA 51 CO 0.00 -1.05 1.61 1.05 0.00 0.00 0.00 175.76 177.37 1cnp h GLU 52 N 2.00 0.61 -0.71 0.00 -0.00 -2.01 0.25 114.58 114.73 1cnp h GLU 52 Ca -0.26 -0.16 0.11 0.00 -0.00 0.00 0.00 59.36 59.05 1cnp h GLU 52 Cb 1.22 -0.07 -0.08 0.00 -0.00 0.00 0.00 28.75 29.82 1cnp h GLU 52 CO 0.28 0.66 0.32 0.82 -0.00 0.00 0.00 179.01 181.10 1cnp h ILE 53 N 0.46 0.79 -0.23 -1.06 1.08 -2.00 0.94 117.51 117.48 1cnp h ILE 53 Ca 0.11 -0.18 -0.15 0.00 -0.39 0.00 0.00 64.86 64.25 1cnp h ILE 53 Cb 0.34 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 1cnp h ILE 53 CO 0.01 0.10 -0.46 0.58 -0.69 0.00 0.00 178.15 177.69 1cnp h VAL 54 N 0.53 1.31 0.00 1.67 2.07 -1.85 -3.21 116.25 116.77 1cnp h VAL 54 Ca 0.36 -1.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.15 1cnp h VAL 54 Cb 0.44 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1cnp h VAL 54 CO -0.31 0.53 -0.30 0.50 0.02 0.00 0.00 177.57 178.01 1cnp h LYS 55 N 0.42 0.00 -0.99 1.57 3.64 0.23 0.21 116.57 121.65 1cnp h LYS 55 Ca 0.01 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.61 1cnp h LYS 55 Cb 1.06 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.78 1cnp h LYS 55 CO 0.10 0.30 0.62 1.25 -2.27 0.00 0.00 179.45 179.46 1cnp h LEU 56 N 0.00 0.60 0.00 5.20 5.85 -0.84 -2.21 115.31 123.91 1cnp h LEU 56 Ca -0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1cnp h LEU 56 Cb 0.57 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1cnp h LEU 56 CO 0.04 0.19 -0.35 -0.03 -0.34 0.00 0.00 178.44 177.94 1cnp h MET 57 N 0.57 0.00 -0.39 1.25 4.05 -0.80 -3.39 114.93 116.23 1cnp h MET 57 Ca 0.57 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.97 1cnp h MET 57 Cb 1.15 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.94 1cnp h MET 57 CO -0.32 0.30 0.19 0.38 0.23 0.00 0.00 176.91 177.69 1cnp h ASP 58 N -1.00 0.50 0.00 1.39 2.03 -0.77 0.84 116.42 119.41 1cnp h ASP 58 Ca -0.05 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 1cnp h ASP 58 Cb 0.52 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 1cnp h ASP 58 CO -0.03 0.48 0.00 -0.67 -1.03 0.00 0.00 179.24 177.99 1cnp n ASP 59 N -4.71 0.71 0.18 4.15 2.03 -0.84 -3.35 116.55 114.71 1cnp n ASP 59 Ca -0.00 -1.29 0.19 0.00 0.52 0.00 0.00 54.79 54.20 1cnp n ASP 59 Cb 0.10 -0.32 0.80 0.00 -0.72 0.00 0.00 41.12 40.98 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 0.40 0.00 -1.48 -2.67 3.38 -1.01 0.25 115.31 114.19 1cnp h LEU 60 Ca 0.00 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.20 1cnp h LEU 60 Cb 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1cnp h LEU 60 CO 0.00 0.00 0.89 -2.24 0.09 0.00 0.00 178.44 177.18 1cnp h ASP 61 N 0.00 0.00 0.00 -0.43 3.04 -1.79 0.40 116.42 117.64 1cnp h ASP 61 Ca 0.12 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.91 1cnp h ASP 61 Cb 0.80 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.09 1cnp h ASP 61 CO -0.00 0.00 0.80 0.08 -2.04 0.00 0.00 179.24 178.08 1cnp h ARG 62 N 0.00 0.00 -0.50 4.15 0.11 -0.78 -2.60 114.38 114.76 1cnp h ARG 62 Ca 0.38 0.00 0.20 0.00 0.10 0.00 0.00 59.98 60.65 1cnp h ARG 62 Cb 2.16 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 33.15 1cnp h ARG 62 CO -0.00 0.00 0.23 0.09 0.10 0.00 0.00 179.97 180.38 1cnp n ASN 63 N -2.48 0.13 0.00 0.08 3.02 0.13 -4.77 115.26 111.38 1cnp n ASN 63 Ca -0.00 0.83 0.00 0.00 -0.03 0.00 0.00 54.58 55.38 1cnp n ASN 63 Cb 0.81 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1cnp n ASN 63 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1cnp n LYS 64 N -4.21 0.00 -0.35 3.52 2.85 -0.98 -4.29 118.16 114.70 1cnp n LYS 64 Ca 0.18 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.42 1cnp n LYS 64 Cb 0.60 0.00 0.11 0.00 -0.65 0.00 0.00 35.03 35.09 1cnp n LYS 64 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1cnp h ASP 65 N 0.00 1.07 -3.21 -5.58 3.32 -1.91 -3.32 116.42 106.80 1cnp h ASP 65 Ca 0.00 -0.02 -0.53 0.00 0.02 0.00 0.00 57.03 56.50 1cnp h ASP 65 Cb 0.00 -0.26 -0.36 0.00 0.22 0.00 0.00 39.33 38.93 1cnp h ASP 65 CO 0.00 0.76 -0.81 0.00 -1.72 0.00 0.00 179.24 177.48 1cnp s GLN 66 N -6.11 1.58 0.00 3.56 -2.07 -1.26 -5.10 119.66 110.26 1cnp s GLN 66 Ca -0.13 -0.29 0.00 0.00 -1.82 0.00 0.00 55.36 53.12 1cnp s GLN 66 Cb 0.18 -1.58 0.00 0.00 -1.09 0.00 0.00 33.01 30.51 1cnp s GLN 66 CO 0.81 -0.23 0.36 0.39 -1.32 0.00 0.00 175.29 175.31 1cnp n GLU 67 N 4.78 0.00 -3.58 9.60 1.02 -1.25 -4.61 120.64 126.61 1cnp n GLU 67 Ca -0.14 0.20 -0.28 0.00 -0.02 0.00 0.00 57.16 56.92 1cnp n GLU 67 Cb 0.50 -0.96 -0.16 0.00 -0.02 0.00 0.00 31.44 30.80 1cnp n GLU 67 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1cnp s VAL 68 N -1.12 -0.08 0.59 2.62 1.01 -0.49 -4.52 120.40 118.41 1cnp s VAL 68 Ca 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1cnp s VAL 68 Cb 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.63 1cnp s VAL 68 CO 0.00 -0.51 0.86 0.21 0.00 0.00 0.00 175.10 175.66 1cnp s ASN 69 N 2.12 5.26 0.26 3.32 2.47 -1.26 -0.75 114.94 126.36 1cnp s ASN 69 Ca 0.06 0.30 -0.01 0.00 0.42 0.00 0.00 52.86 53.62 1cnp s ASN 69 Cb -0.16 -1.18 0.47 0.00 -1.45 0.00 0.00 41.25 38.93 1cnp s ASN 69 CO -0.23 -1.22 1.83 0.15 -3.72 0.00 0.00 177.10 173.91 1cnp h PHE 70 N -0.14 1.05 0.63 0.43 3.57 -1.98 -0.67 116.94 119.82 1cnp h PHE 70 Ca -0.44 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.07 1cnp h PHE 70 Cb 1.29 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1cnp h PHE 70 CO 0.39 0.44 -0.46 0.37 -2.23 0.00 0.00 178.31 176.82 1cnp h GLN 71 N 0.95 -1.01 0.03 1.11 -0.00 -1.98 0.14 115.11 114.34 1cnp h GLN 71 Ca 0.45 0.07 0.02 0.00 -0.00 0.00 0.00 58.65 59.19 1cnp h GLN 71 Cb 0.39 0.23 -0.03 0.00 0.00 0.00 0.00 27.48 28.07 1cnp h GLN 71 CO -0.24 -0.67 -0.15 0.93 0.00 0.00 0.00 178.83 178.70 1cnp h GLU 72 N -1.05 -0.25 -0.57 1.69 3.07 -1.83 0.24 114.58 115.89 1cnp h GLU 72 Ca -0.08 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.86 1cnp h GLU 72 Cb 0.87 0.06 -0.09 0.00 -0.84 0.00 0.00 28.75 28.75 1cnp h GLU 72 CO 0.03 -0.16 -0.55 -0.92 -1.40 0.00 0.00 179.01 176.01 1cnp h TYR 73 N -0.26 -1.69 -0.83 4.33 5.03 -1.07 0.35 116.97 122.83 1cnp h TYR 73 Ca 0.04 0.09 0.02 0.00 2.58 0.00 0.00 58.73 61.47 1cnp h TYR 73 Cb 0.31 0.81 -0.05 0.00 1.55 0.00 0.00 36.73 39.35 1cnp h TYR 73 CO -0.19 -0.46 0.54 0.82 -1.32 0.00 0.00 178.16 177.56 1cnp h ILE 74 N -0.28 1.16 -0.06 1.81 1.08 -0.31 -0.14 117.51 120.76 1cnp h ILE 74 Ca 0.11 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1cnp h ILE 74 Cb 0.55 -0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.29 1cnp h ILE 74 CO -0.69 0.20 0.04 0.74 -0.69 0.00 0.00 178.15 177.74 1cnp h THR 75 N 1.07 1.07 -0.24 -0.27 2.02 0.96 0.30 112.91 117.83 1cnp h THR 75 Ca 0.32 -0.19 -0.16 0.00 0.77 0.00 0.00 66.41 67.15 1cnp h THR 75 Cb -0.04 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1cnp h THR 75 CO -0.10 0.06 -0.51 2.19 0.37 0.00 0.00 175.52 177.53 1cnp h PHE 76 N 0.02 0.84 -0.37 3.16 -5.15 -0.82 -0.03 116.94 114.59 1cnp h PHE 76 Ca 0.02 -0.28 0.06 0.00 -0.20 0.00 0.00 57.97 57.56 1cnp h PHE 76 Cb 0.06 -0.16 -0.05 0.00 0.22 0.00 0.00 35.95 36.02 1cnp h PHE 76 CO -0.05 1.04 0.08 -0.07 -2.00 0.00 0.00 178.31 177.31 1cnp h LEU 77 N 0.53 0.02 -0.56 2.10 3.38 -0.88 -2.59 115.31 117.31 1cnp h LEU 77 Ca 0.02 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.13 1cnp h LEU 77 Cb 1.07 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1cnp h LEU 77 CO 0.10 0.05 0.22 1.23 0.09 0.00 0.00 178.44 180.13 1cnp h GLY 78 N 0.20 0.77 0.20 0.83 0.00 0.13 0.27 103.07 105.48 1cnp h GLY 78 Ca 0.18 -0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.45 1cnp h GLY 78 CO -0.23 0.02 -0.17 0.00 0.00 0.00 0.00 176.54 176.16 1cnp h ALA 79 N 1.36 0.04 -0.76 3.60 0.00 -0.72 -1.19 119.26 121.59 1cnp h ALA 79 Ca 0.27 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1cnp h ALA 79 Cb 0.29 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1cnp h ALA 79 CO -0.26 -0.57 0.25 -0.07 0.00 0.00 0.00 179.25 178.60 1cnp h LEU 80 N -0.14 1.10 -0.59 0.00 3.38 -0.98 -3.14 115.31 114.94 1cnp h LEU 80 Ca 0.16 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.04 1cnp h LEU 80 Cb 0.38 -0.29 -0.09 0.00 0.09 0.00 0.00 40.66 40.76 1cnp h LEU 80 CO -0.38 1.01 0.11 0.00 0.09 0.00 0.00 178.44 179.27 1cnp h ALA 81 N 1.13 0.68 0.03 1.53 0.00 0.63 0.12 119.26 123.39 1cnp h ALA 81 Ca 0.25 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1cnp h ALA 81 Cb 0.30 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1cnp h ALA 81 CO -0.01 -0.32 -0.23 0.52 0.00 0.00 0.00 179.25 179.21 1cnp h MET 82 N 0.24 -0.30 0.23 0.00 2.86 -1.22 -2.59 114.93 114.15 1cnp h MET 82 Ca 0.31 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1cnp h MET 82 Cb 0.47 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1cnp h MET 82 CO -0.41 -0.20 -0.21 0.82 1.06 0.00 0.00 176.91 177.97 1cnp h ILE 83 N -0.31 0.55 0.00 -1.22 5.03 -1.28 -0.14 117.51 120.14 1cnp h ILE 83 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1cnp h ILE 83 Cb 0.33 0.55 0.00 0.00 -3.03 0.00 0.00 36.82 34.67 1cnp h ILE 83 CO -0.14 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.33 1cnp n TYR 84 N -5.33 0.00 0.00 1.37 0.18 0.33 -3.98 117.16 109.72 1cnp n TYR 84 Ca -0.08 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.70 1cnp n TYR 84 Cb 0.24 -0.29 0.00 0.00 -0.38 0.00 0.00 39.34 38.92 1cnp n TYR 84 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 1cnp n ASN 85 N -1.29 0.00 -0.65 9.48 5.15 -0.98 -4.95 115.26 122.03 1cnp n ASN 85 Ca 0.12 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.16 1cnp n ASN 85 Cb 0.21 0.00 0.09 0.00 -0.53 0.00 0.00 39.78 39.56 1cnp n ASN 85 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1cnp n GLU 86 N 0.00 0.73 -3.32 1.20 -0.00 -1.23 -4.97 120.64 113.05 1cnp n GLU 86 Ca 0.00 -2.23 -0.23 0.00 -0.00 0.00 0.00 57.16 54.70 1cnp n GLU 86 Cb 0.00 -0.92 -0.01 0.00 -0.00 0.00 0.00 31.44 30.51 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 -0.54 -1.05 -3.26 -1.84 0.00 -0.09 -0.69 120.51 113.04 1cnp n ALA 87 Ca 0.10 0.07 -0.16 0.00 0.00 0.00 0.00 53.44 53.46 1cnp n ALA 87 Cb 0.79 -2.65 0.07 0.00 0.00 0.00 0.00 19.45 17.66 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 -3.66 -3.40 -3.52 0.00 4.77 -1.26 -2.20 117.00 107.74 1cnp n LEU 88 Ca -0.02 -0.47 -0.22 0.00 -0.03 0.00 0.00 56.01 55.28 1cnp n LEU 88 Cb 0.54 -2.57 0.08 0.00 -2.33 0.00 0.00 43.42 39.14 1cnp n LEU 88 CO 0.49 0.41 0.21 0.29 -1.33 0.00 0.00 177.39 177.47 1cnp n LYS 89 N -3.80 -7.58 -0.81 3.23 5.02 0.13 -5.22 118.16 109.14 1cnp n LYS 89 Ca -0.12 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1cnp n LYS 89 Cb 0.60 -5.84 0.00 0.00 -0.02 0.00 0.00 35.03 29.76 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29