#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 -1.52 -5.12 0.00 -1.26 -5.13 120.51 107.48 1cnp n ALA 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1cnp n ALA 2 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 1.00 4.85 0.40 0.00 1.04 -1.26 -4.76 113.70 114.97 1cnp s SER 3 Ca 0.00 1.50 0.18 0.00 0.48 0.00 0.00 55.95 58.10 1cnp s SER 3 Cb 0.00 -2.29 1.08 0.00 0.10 0.00 0.00 66.02 64.91 1cnp s SER 3 CO 0.00 -1.77 1.79 -0.65 0.98 0.00 0.00 173.24 173.59 1cnp h PRO 4 N -0.94 0.40 -0.15 4.02 0.11 -1.99 0.50 132.00 133.94 1cnp h PRO 4 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1cnp h PRO 4 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1cnp h PRO 4 CO 0.57 0.27 0.05 -0.07 -0.21 0.00 0.00 178.00 178.61 1cnp h LEU 5 N 0.42 0.23 0.13 2.35 4.07 -1.89 0.10 115.31 120.72 1cnp h LEU 5 Ca 0.57 -0.21 0.01 0.00 0.08 0.00 0.00 57.88 58.33 1cnp h LEU 5 Cb 1.41 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 43.07 1cnp h LEU 5 CO -0.27 0.37 -0.18 0.44 -1.08 0.00 0.00 178.44 177.72 1cnp h ASP 6 N 0.07 -0.48 -0.35 -0.43 3.32 -1.41 0.45 116.42 117.58 1cnp h ASP 6 Ca 0.05 0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.22 1cnp h ASP 6 Cb 0.23 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.89 1cnp h ASP 6 CO -0.00 -0.26 -0.11 1.56 -1.72 0.00 0.00 179.24 178.71 1cnp h GLN 7 N -0.36 -0.03 0.57 3.56 1.08 -0.91 0.40 115.11 119.42 1cnp h GLN 7 Ca 0.02 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1cnp h GLN 7 Cb 0.36 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1cnp h GLN 7 CO -0.08 -0.02 -0.46 0.00 -0.95 0.00 0.00 178.83 177.32 1cnp h ALA 8 N 1.30 -1.17 -0.46 3.87 0.00 -0.26 0.17 119.26 122.70 1cnp h ALA 8 Ca 0.17 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1cnp h ALA 8 Cb 0.29 0.64 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1cnp h ALA 8 CO -0.38 -1.17 0.07 0.82 0.00 0.00 0.00 179.25 178.59 1cnp h ILE 9 N -1.00 0.72 -0.49 0.00 1.08 -0.74 0.20 117.51 117.28 1cnp h ILE 9 Ca -0.07 -0.07 0.10 0.00 -0.39 0.00 0.00 64.86 64.43 1cnp h ILE 9 Cb 0.83 0.51 -0.10 0.00 -3.07 0.00 0.00 36.82 34.99 1cnp h ILE 9 CO 0.00 0.04 -0.17 1.23 -0.69 0.00 0.00 178.15 178.56 1cnp h GLY 10 N 0.19 0.25 0.99 5.37 0.00 -0.75 -1.65 103.07 107.47 1cnp h GLY 10 Ca 0.23 0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 1cnp h GLY 10 CO -0.32 -0.20 0.29 1.41 0.00 0.00 0.00 176.54 177.72 1cnp h LEU 11 N -0.06 0.77 -0.37 3.11 3.38 0.13 0.13 115.31 122.40 1cnp h LEU 11 Ca 0.23 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1cnp h LEU 11 Cb 0.42 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1cnp h LEU 11 CO -0.53 0.68 0.18 -0.07 0.09 0.00 0.00 178.44 178.79 1cnp h LEU 12 N 0.81 0.27 0.02 1.67 3.38 0.23 0.20 115.31 121.89 1cnp h LEU 12 Ca 0.20 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1cnp h LEU 12 Cb 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1cnp h LEU 12 CO -0.03 0.20 -0.01 0.40 0.09 0.00 0.00 178.44 179.09 1cnp h ILE 13 N 0.38 1.28 0.30 1.22 2.04 -1.36 -3.18 117.51 118.18 1cnp h ILE 13 Ca 0.16 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 1cnp h ILE 13 Cb 0.07 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1cnp h ILE 13 CO -0.11 0.24 -0.14 1.23 0.00 0.00 0.00 178.15 179.37 1cnp h GLY 14 N -0.45 -0.42 1.97 5.37 0.00 -0.34 -3.06 103.07 106.14 1cnp h GLY 14 Ca -0.00 0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.42 1cnp h GLY 14 CO 0.01 -0.15 -0.26 1.19 0.00 0.00 0.00 176.54 177.32 1cnp h ILE 15 N -0.45 1.20 -0.22 2.60 2.10 -0.76 -3.30 117.51 118.67 1cnp h ILE 15 Ca -0.04 -0.94 0.02 0.00 1.08 0.00 0.00 64.86 64.98 1cnp h ILE 15 Cb 0.34 1.48 -0.04 0.00 -1.09 0.00 0.00 36.82 37.51 1cnp h ILE 15 CO 0.07 0.27 -0.24 0.15 -1.08 0.00 0.00 178.15 177.32 1cnp h PHE 16 N 0.04 -0.74 0.00 2.19 3.57 -1.51 0.20 116.94 120.68 1cnp h PHE 16 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1cnp h PHE 16 Cb 0.48 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1cnp h PHE 16 CO 0.00 -0.20 0.00 -2.39 -2.23 0.00 0.00 178.31 173.49 1cnp n HIS 17 N -3.86 0.00 0.07 0.41 1.44 -1.26 -3.41 115.22 108.62 1cnp n HIS 17 Ca -0.01 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.58 1cnp n HIS 17 Cb 0.14 -0.41 -0.08 0.00 0.12 0.00 0.00 29.99 29.76 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 0.00 -0.24 -5.93 -1.40 1.63 -0.80 -3.34 116.57 106.49 1cnp h LYS 18 Ca 0.00 0.02 -0.51 0.00 -0.85 0.00 0.00 60.65 59.31 1cnp h LYS 18 Cb 0.40 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.01 1cnp h LYS 18 CO 0.00 0.17 1.35 0.71 -3.45 0.00 0.00 179.45 178.22 1cnp s TYR 19 N -3.79 2.32 0.00 1.91 1.51 0.10 -1.75 117.35 117.65 1cnp s TYR 19 Ca -0.13 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.48 1cnp s TYR 19 Cb 0.01 -4.48 0.00 0.00 -0.11 0.00 0.00 41.96 37.38 1cnp s TYR 19 CO 0.51 -1.82 0.00 -1.13 -1.11 0.00 0.00 175.55 171.99 1cnp n SER 20 N 10.58 0.00 0.00 2.29 3.41 -1.26 -4.15 113.62 124.49 1cnp n SER 20 Ca 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1cnp n SER 20 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 2.10 3.04 5.00 0.00 -0.72 -4.73 105.19 109.88 1cnp n GLY 21 Ca 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 1cnp n GLY 21 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1cnp s LYS 22 N 0.00 0.29 0.44 1.61 2.36 -1.26 -4.95 119.74 118.22 1cnp s LYS 22 Ca 0.00 0.72 0.27 0.00 -2.55 0.00 0.00 55.97 54.41 1cnp s LYS 22 Cb 0.00 -0.18 1.34 0.00 -1.05 0.00 0.00 37.83 37.94 1cnp s LYS 22 CO 0.00 -0.44 1.69 0.93 1.55 0.00 0.00 175.35 179.07 1cnp h GLU 23 N 8.21 0.17 0.00 4.03 4.39 -1.70 -2.62 114.58 127.06 1cnp h GLU 23 Ca -0.17 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1cnp h GLU 23 Cb 1.13 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1cnp h GLU 23 CO 0.20 0.11 0.00 0.41 -1.16 0.00 0.00 179.01 178.57 1cnp n GLY 24 N -1.54 -2.71 0.09 -3.84 0.00 -1.26 -4.49 105.19 91.44 1cnp n GLY 24 Ca 0.32 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.01 1.85 -4.76 1.61 5.68 -1.17 -4.91 116.55 112.83 1cnp n ASP 25 Ca 0.00 0.50 -0.39 0.00 -0.50 0.00 0.00 54.79 54.40 1cnp n ASP 25 Cb 0.00 -0.90 -0.05 0.00 -1.14 0.00 0.00 41.12 39.04 1cnp n ASP 25 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1cnp s LYS 26 N -2.37 4.62 0.00 0.11 1.02 -1.00 -4.91 119.74 117.22 1cnp s LYS 26 Ca -0.24 1.63 0.00 0.00 0.02 0.00 0.00 55.97 57.38 1cnp s LYS 26 Cb 0.05 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 1cnp s LYS 26 CO 0.41 0.25 0.00 0.72 -0.92 0.00 0.00 175.35 175.81 1cnp n HIS 27 N 1.02 -0.22 -2.18 3.18 8.25 -1.26 -4.03 115.22 119.97 1cnp n HIS 27 Ca -0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 1cnp n HIS 27 Cb 0.47 0.30 -0.02 0.00 1.12 0.00 0.00 29.99 31.86 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 -1.61 2.89 -1.09 1.59 -4.23 -1.26 -4.18 115.64 107.75 1cnp s THR 28 Ca 0.00 0.81 -0.24 0.00 -1.18 0.00 0.00 61.69 61.08 1cnp s THR 28 Cb 0.00 -3.48 -0.11 0.00 1.34 0.00 0.00 72.50 70.26 1cnp s THR 28 CO 0.00 0.13 1.99 -0.76 -0.54 0.00 0.00 174.62 175.44 1cnp s LEU 29 N -2.25 2.95 -1.08 4.79 1.43 0.37 -4.38 118.68 120.51 1cnp s LEU 29 Ca 0.54 -1.27 -0.23 0.00 -1.03 0.00 0.00 54.13 52.15 1cnp s LEU 29 Cb -0.35 -2.58 -0.11 0.00 0.03 0.00 0.00 46.19 43.17 1cnp s LEU 29 CO 0.45 -3.34 1.93 -1.20 0.23 0.00 0.00 176.35 174.42 1cnp n SER 30 N 15.43 2.90 0.00 2.29 7.64 -1.26 -2.98 113.62 137.63 1cnp n SER 30 Ca 0.43 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.63 1cnp n SER 30 Cb 0.46 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 1cnp n SER 30 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1cnp n LYS 31 N 8.00 0.00 0.26 1.43 2.85 -1.26 -1.77 118.16 127.67 1cnp n LYS 31 Ca 0.46 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.83 1cnp n LYS 31 Cb 0.45 0.00 0.68 0.00 -0.65 0.00 0.00 35.03 35.51 1cnp n LYS 31 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 1cnp h LYS 32 N 0.00 0.00 -0.08 -1.58 2.10 -1.98 0.32 116.57 115.35 1cnp h LYS 32 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 1cnp h LYS 32 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1cnp h LYS 32 CO 0.00 0.13 -0.26 0.93 -2.00 0.00 0.00 179.45 178.25 1cnp h GLU 33 N 0.00 0.31 0.00 0.07 4.39 -1.63 -0.52 114.58 117.21 1cnp h GLU 33 Ca -0.00 -0.24 0.02 0.00 0.34 0.00 0.00 59.36 59.49 1cnp h GLU 33 Cb 0.34 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1cnp h GLU 33 CO 0.02 0.86 -0.14 1.25 -1.16 0.00 0.00 179.01 179.85 1cnp h LEU 34 N -0.18 -0.39 -1.15 1.33 7.12 -1.62 -0.55 115.31 119.87 1cnp h LEU 34 Ca -0.01 0.06 0.18 0.00 0.13 0.00 0.00 57.88 58.24 1cnp h LEU 34 Cb 0.90 0.17 -0.09 0.00 -0.53 0.00 0.00 40.66 41.10 1cnp h LEU 34 CO 0.06 -0.19 0.61 0.50 -0.13 0.00 0.00 178.44 179.29 1cnp h LYS 35 N -0.23 0.69 0.83 1.25 3.64 -0.94 0.38 116.57 122.19 1cnp h LYS 35 Ca 0.05 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1cnp h LYS 35 Cb 0.29 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1cnp h LYS 35 CO -0.13 0.45 -0.40 1.49 -2.27 0.00 0.00 179.45 178.59 1cnp h GLU 36 N 0.71 -1.08 -0.23 1.90 4.57 -0.17 -2.53 114.58 117.75 1cnp h GLU 36 Ca 0.53 0.07 0.06 0.00 -1.18 0.00 0.00 59.36 58.84 1cnp h GLU 36 Cb 0.90 0.24 -0.07 0.00 -0.16 0.00 0.00 28.75 29.66 1cnp h GLU 36 CO -0.30 -0.71 -0.35 1.25 -1.18 0.00 0.00 179.01 177.72 1cnp h LEU 37 N -1.25 -1.12 -0.32 1.64 6.46 -0.16 0.13 115.31 120.69 1cnp h LEU 37 Ca -0.11 0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 57.77 1cnp h LEU 37 Cb 0.86 0.49 -0.01 0.00 -0.73 0.00 0.00 40.66 41.27 1cnp h LEU 37 CO 0.19 -0.36 0.01 -0.29 -0.62 0.00 0.00 178.44 177.37 1cnp h ILE 38 N -0.37 1.25 -0.11 4.05 2.10 -1.08 -0.06 117.51 123.30 1cnp h ILE 38 Ca 0.12 -0.93 -0.05 0.00 1.08 0.00 0.00 64.86 65.09 1cnp h ILE 38 Cb 0.56 1.23 -0.00 0.00 -1.09 0.00 0.00 36.82 37.52 1cnp h ILE 38 CO -0.44 0.30 -0.11 -0.61 -1.08 0.00 0.00 178.15 176.22 1cnp h GLN 39 N 0.36 0.27 0.00 2.19 4.15 -1.09 -3.36 115.11 117.64 1cnp h GLN 39 Ca 0.09 -0.14 -0.17 0.00 0.77 0.00 0.00 58.65 59.20 1cnp h GLN 39 Cb 0.42 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 1cnp h GLN 39 CO 0.01 0.67 -1.11 1.17 -1.93 0.00 0.00 178.83 177.65 1cnp n LYS 40 N -4.63 0.53 -0.09 1.69 4.81 0.00 -4.83 118.16 115.64 1cnp n LYS 40 Ca -0.07 0.54 -0.15 0.00 -0.87 0.00 0.00 58.31 57.76 1cnp n LYS 40 Cb 0.33 -1.71 -0.07 0.00 0.02 0.00 0.00 35.03 33.60 1cnp n LYS 40 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1cnp n GLU 41 N -4.48 0.52 0.00 1.64 -0.58 -0.15 -4.79 120.64 112.80 1cnp n GLU 41 Ca -0.26 0.53 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1cnp n GLU 41 Cb 0.57 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1cnp n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1cnp n LEU 42 N -4.50 0.00 0.30 -4.62 4.77 -0.52 -3.39 117.00 109.05 1cnp n LEU 42 Ca -0.23 0.71 0.14 0.00 -0.03 0.00 0.00 56.01 56.59 1cnp n LEU 42 Cb 0.52 -0.21 0.73 0.00 -2.33 0.00 0.00 43.42 42.13 1cnp n LEU 42 CO 0.15 -0.21 1.06 0.71 -1.33 0.00 0.00 177.39 177.77 1cnp h THR 43 N 0.00 0.00 -0.01 -5.08 1.35 -1.87 -1.35 112.91 105.94 1cnp h THR 43 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1cnp h THR 43 Cb 0.00 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.01 1cnp h THR 43 CO 0.00 0.00 -0.56 2.30 -0.25 0.00 0.00 175.52 177.01 1cnp n ILE 44 N -2.71 0.00 -1.62 6.82 -5.35 -1.22 -4.70 119.36 110.58 1cnp n ILE 44 Ca -0.02 -0.16 -0.58 0.00 -0.27 0.00 0.00 62.75 61.72 1cnp n ILE 44 Cb 0.36 0.96 -0.08 0.00 -1.74 0.00 0.00 39.64 39.14 1cnp n ILE 44 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1cnp n GLY 45 N 1.43 0.60 5.00 3.28 0.00 -0.51 -0.66 105.19 114.32 1cnp n GLY 45 Ca 0.08 0.97 0.00 0.00 0.00 0.00 0.00 46.02 47.07 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 6.20 0.00 -0.34 1.61 7.64 -1.26 -4.55 113.62 122.92 1cnp n SER 46 Ca 0.33 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.20 1cnp n SER 46 Cb 0.10 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.42 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 1.13 0.00 1.43 3.64 -1.65 -3.48 116.57 117.64 1cnp h LYS 47 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1cnp h LYS 47 Cb 0.00 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 1cnp h LYS 47 CO 0.00 0.75 0.00 1.28 -2.27 0.00 0.00 179.45 179.21 1cnp n LEU 48 N -4.50 0.00 -4.03 5.20 4.77 0.17 -4.84 117.00 113.77 1cnp n LEU 48 Ca 0.12 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.72 1cnp n LEU 48 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1cnp n LEU 48 CO 0.34 0.00 -0.17 0.00 -1.33 0.00 0.00 177.39 176.23 1cnp n GLN 49 N 14.00 -0.41 -2.58 3.23 6.02 -1.26 -4.65 117.38 131.73 1cnp n GLN 49 Ca 0.00 -0.04 -0.24 0.00 -0.01 0.00 0.00 57.00 56.71 1cnp n GLN 49 Cb 0.00 -1.96 0.13 0.00 1.02 0.00 0.00 30.24 29.42 1cnp n GLN 49 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1cnp s ASP 50 N -3.83 4.09 0.04 1.08 2.15 -1.26 -5.09 116.67 113.85 1cnp s ASP 50 Ca 0.36 -0.47 -0.25 0.00 0.43 0.00 0.00 52.55 52.62 1cnp s ASP 50 Cb -0.20 0.23 0.06 0.00 -0.30 0.00 0.00 42.92 42.71 1cnp s ASP 50 CO 0.81 -2.06 0.58 0.00 -0.17 0.00 0.00 175.17 174.33 1cnp s ALA 51 N -3.24 -1.51 0.24 3.66 0.00 -1.26 -5.00 121.76 114.66 1cnp s ALA 51 Ca 0.69 0.78 -0.05 0.00 0.00 0.00 0.00 51.96 53.37 1cnp s ALA 51 Cb -0.04 0.38 0.46 0.00 0.00 0.00 0.00 23.12 23.93 1cnp s ALA 51 CO 0.46 -0.52 1.68 1.05 0.00 0.00 0.00 175.76 178.43 1cnp h GLU 52 N 2.68 0.25 -0.78 0.00 4.11 -2.00 0.28 114.58 119.13 1cnp h GLU 52 Ca -0.30 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.11 1cnp h GLU 52 Cb 1.21 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 1cnp h GLU 52 CO 0.40 0.17 0.47 -0.84 0.07 0.00 0.00 179.01 179.28 1cnp h ILE 53 N 0.26 1.22 -0.19 -1.06 3.07 -1.98 0.20 117.51 119.03 1cnp h ILE 53 Ca 0.42 -0.47 -0.06 0.00 1.55 0.00 0.00 64.86 66.30 1cnp h ILE 53 Cb 0.71 0.11 -0.00 0.00 -0.27 0.00 0.00 36.82 37.37 1cnp h ILE 53 CO -0.52 0.23 -0.10 0.58 -1.05 0.00 0.00 178.15 177.29 1cnp h VAL 54 N 1.07 1.31 -0.86 0.16 2.07 -0.94 -0.38 116.25 118.69 1cnp h VAL 54 Ca 0.28 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1cnp h VAL 54 Cb -0.05 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1cnp h VAL 54 CO -0.05 0.35 0.42 0.50 0.02 0.00 0.00 177.57 178.81 1cnp h LYS 55 N 0.10 1.23 -0.32 1.57 3.11 -0.57 0.41 116.57 122.09 1cnp h LYS 55 Ca 0.04 -0.18 0.02 0.00 -2.81 0.00 0.00 60.65 57.73 1cnp h LYS 55 Cb 0.60 -0.22 -0.03 0.00 -1.00 0.00 0.00 32.23 31.58 1cnp h LYS 55 CO 0.03 0.94 0.16 1.25 -2.81 0.00 0.00 179.45 179.02 1cnp h LEU 56 N 1.22 0.25 0.11 5.20 5.85 -0.47 0.37 115.31 127.84 1cnp h LEU 56 Ca 0.29 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1cnp h LEU 56 Cb 0.11 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1cnp h LEU 56 CO -0.04 0.18 -0.11 -0.03 -0.34 0.00 0.00 178.44 178.11 1cnp h MET 57 N 0.34 -0.23 -0.76 1.25 4.05 -0.39 -1.44 114.93 117.74 1cnp h MET 57 Ca 0.13 0.02 0.16 0.00 -0.28 0.00 0.00 59.70 59.73 1cnp h MET 57 Cb 0.04 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.84 1cnp h MET 57 CO -0.09 -0.16 0.51 0.22 0.23 0.00 0.00 176.91 177.63 1cnp h ASP 58 N -0.24 0.34 0.00 1.39 1.82 -0.70 0.40 116.42 119.42 1cnp h ASP 58 Ca 0.00 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1cnp h ASP 58 Cb 0.23 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1cnp h ASP 58 CO -0.03 0.17 0.00 -0.67 -1.61 0.00 0.00 179.24 177.10 1cnp n ASP 59 N -4.47 0.00 0.29 2.28 2.03 0.13 -2.59 116.55 114.23 1cnp n ASP 59 Ca 0.15 -0.48 0.17 0.00 0.52 0.00 0.00 54.79 55.15 1cnp n ASP 59 Cb 0.58 0.00 0.85 0.00 -0.72 0.00 0.00 41.12 41.83 1cnp n ASP 59 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1cnp h LEU 60 N 0.00 0.00 -1.84 -2.67 5.85 -0.94 0.27 115.31 115.98 1cnp h LEU 60 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1cnp h LEU 60 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1cnp h LEU 60 CO 0.00 0.00 0.00 -2.24 -0.34 0.00 0.00 178.44 175.86 1cnp h ASP 61 N 0.00 0.00 -0.69 1.25 2.03 -1.77 -3.40 116.42 113.85 1cnp h ASP 61 Ca 0.03 0.00 0.20 0.00 -0.73 0.00 0.00 57.03 56.53 1cnp h ASP 61 Cb 0.64 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.11 1cnp h ASP 61 CO -0.00 0.00 0.60 -2.11 -1.03 0.00 0.00 179.24 176.70 1cnp n ARG 62 N -2.48 0.00 -0.31 4.15 0.00 0.95 -1.01 116.66 117.96 1cnp n ARG 62 Ca -0.02 0.48 0.14 0.00 -0.00 0.00 0.00 57.85 58.45 1cnp n ARG 62 Cb 0.05 -1.14 0.30 0.00 -0.00 0.00 0.00 32.46 31.67 1cnp n ARG 62 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.63 174.68 1cnp h ASN 63 N 0.00 -0.10 -7.05 2.89 -1.07 -1.86 -3.45 115.58 104.94 1cnp h ASN 63 Ca 0.33 0.22 -0.39 0.00 0.07 0.00 0.00 56.30 56.52 1cnp h ASN 63 Cb 1.53 0.32 -0.03 0.00 -2.07 0.00 0.00 38.32 38.07 1cnp h ASN 63 CO -0.00 -0.22 -0.65 0.29 0.07 0.00 0.00 177.43 176.92 1cnp n LYS 64 N -5.29 -0.56 0.00 4.14 5.02 -0.18 -4.66 118.16 116.64 1cnp n LYS 64 Ca 0.22 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1cnp n LYS 64 Cb 0.73 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 1cnp n LYS 64 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1cnp n ASP 65 N -1.11 1.75 -1.31 4.39 9.92 -1.26 -4.88 116.55 124.06 1cnp n ASP 65 Ca -0.09 -1.23 0.05 0.00 -0.53 0.00 0.00 54.79 53.00 1cnp n ASP 65 Cb 0.37 -0.31 -0.03 0.00 -0.64 0.00 0.00 41.12 40.52 1cnp n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cnp n GLN 66 N 0.66 -3.32 -4.09 -1.24 6.02 -1.26 -4.82 117.38 109.32 1cnp n GLN 66 Ca 0.00 2.62 -0.27 0.00 -0.01 0.00 0.00 57.00 59.34 1cnp n GLN 66 Cb 0.30 -3.41 -0.09 0.00 1.02 0.00 0.00 30.24 28.06 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 -2.96 -0.95 -1.83 -1.09 4.71 -1.19 -4.86 120.64 112.48 1cnp n GLU 67 Ca -0.03 0.08 -0.32 0.00 -0.01 0.00 0.00 57.16 56.88 1cnp n GLU 67 Cb 0.47 -3.13 0.03 0.00 -1.01 0.00 0.00 31.44 27.80 1cnp n GLU 67 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1cnp s VAL 68 N -4.21 3.96 0.40 2.62 -7.23 -1.16 -4.38 120.40 110.40 1cnp s VAL 68 Ca 0.00 0.78 0.08 0.00 -1.81 0.00 0.00 61.98 61.03 1cnp s VAL 68 Cb -0.00 -3.41 -0.02 0.00 0.56 0.00 0.00 36.38 33.50 1cnp s VAL 68 CO 0.87 -0.69 0.35 0.21 -0.31 0.00 0.00 175.10 175.53 1cnp s ASN 69 N -3.31 5.08 0.34 4.85 2.47 -1.26 -0.48 114.94 122.63 1cnp s ASN 69 Ca 0.60 -0.69 0.05 0.00 0.42 0.00 0.00 52.86 53.24 1cnp s ASN 69 Cb -0.15 -0.66 0.70 0.00 -1.45 0.00 0.00 41.25 39.69 1cnp s ASN 69 CO 0.46 -0.57 1.92 0.15 -3.72 0.00 0.00 177.10 175.33 1cnp h PHE 70 N 1.10 0.87 0.42 0.43 3.57 -1.97 -2.58 116.94 118.78 1cnp h PHE 70 Ca -0.42 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 1cnp h PHE 70 Cb 1.26 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1cnp h PHE 70 CO 0.52 0.42 -0.37 0.37 -2.23 0.00 0.00 178.31 177.02 1cnp h GLN 71 N 0.82 -0.77 0.51 1.11 -0.00 -1.98 0.30 115.11 115.10 1cnp h GLN 71 Ca 0.38 0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 59.06 1cnp h GLN 71 Cb 0.38 0.17 -0.02 0.00 0.00 0.00 0.00 27.48 28.01 1cnp h GLN 71 CO -0.15 -0.51 -0.51 0.93 0.00 0.00 0.00 178.83 178.59 1cnp h GLU 72 N -0.80 -0.99 -0.40 1.69 3.07 -1.89 -0.05 114.58 115.21 1cnp h GLU 72 Ca -0.04 0.07 0.05 0.00 -0.50 0.00 0.00 59.36 58.94 1cnp h GLU 72 Cb 0.70 0.22 -0.08 0.00 -0.84 0.00 0.00 28.75 28.75 1cnp h GLU 72 CO -0.03 -0.66 -0.52 -0.92 -1.40 0.00 0.00 179.01 175.48 1cnp h TYR 73 N -1.02 -1.60 -0.33 4.33 3.20 -1.44 -1.19 116.97 118.92 1cnp h TYR 73 Ca -0.06 0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.75 1cnp h TYR 73 Cb 0.89 0.75 -0.01 0.00 1.54 0.00 0.00 36.73 39.90 1cnp h TYR 73 CO -0.26 -0.45 -0.33 0.97 -1.64 0.00 0.00 178.16 176.45 1cnp h ILE 74 N -0.35 1.28 -0.08 1.81 6.09 -0.24 0.13 117.51 126.14 1cnp h ILE 74 Ca 0.07 -1.48 -0.01 0.00 -1.37 0.00 0.00 64.86 62.08 1cnp h ILE 74 Cb 0.54 1.38 -0.00 0.00 0.47 0.00 0.00 36.82 39.21 1cnp h ILE 74 CO -0.57 0.48 0.03 0.74 -3.07 0.00 0.00 178.15 175.76 1cnp h THR 75 N 0.61 1.15 0.02 2.19 2.02 -0.79 0.43 112.91 118.54 1cnp h THR 75 Ca 0.07 -0.46 0.03 0.00 0.77 0.00 0.00 66.41 66.81 1cnp h THR 75 Cb 0.85 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 1cnp h THR 75 CO 0.07 0.13 -0.39 0.15 0.37 0.00 0.00 175.52 175.86 1cnp h PHE 76 N -0.04 -1.09 -1.02 3.16 3.57 -1.02 -1.18 116.94 119.32 1cnp h PHE 76 Ca 0.03 0.03 0.24 0.00 3.53 0.00 0.00 57.97 61.80 1cnp h PHE 76 Cb 0.19 0.48 -0.10 0.00 2.79 0.00 0.00 35.95 39.30 1cnp h PHE 76 CO -0.01 -0.48 0.64 -0.07 -2.23 0.00 0.00 178.31 176.16 1cnp h LEU 77 N -0.56 0.56 -0.50 0.59 3.38 -0.51 0.19 115.31 118.46 1cnp h LEU 77 Ca 0.05 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.22 1cnp h LEU 77 Cb 0.63 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.28 1cnp h LEU 77 CO -0.29 0.13 -0.22 1.23 0.09 0.00 0.00 178.44 179.38 1cnp h GLY 78 N 0.51 0.15 0.95 0.83 0.00 0.11 0.27 103.07 105.88 1cnp h GLY 78 Ca 0.60 0.28 -0.03 0.00 0.00 0.00 0.00 47.33 48.18 1cnp h GLY 78 CO -0.35 -0.21 -0.27 0.00 0.00 0.00 0.00 176.54 175.70 1cnp h ALA 79 N 1.25 -0.77 -0.42 3.60 0.00 -0.76 0.23 119.26 122.38 1cnp h ALA 79 Ca 0.23 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1cnp h ALA 79 Cb 0.47 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 1cnp h ALA 79 CO -0.57 -0.90 -0.08 -0.07 0.00 0.00 0.00 179.25 177.63 1cnp h LEU 80 N -0.83 -0.34 -0.08 0.00 3.38 -1.14 -1.58 115.31 114.71 1cnp h LEU 80 Ca -0.08 0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1cnp h LEU 80 Cb 0.61 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1cnp h LEU 80 CO 0.13 -0.12 -0.37 0.00 0.09 0.00 0.00 178.44 178.16 1cnp h ALA 81 N 1.41 0.16 -0.36 1.53 0.00 -0.45 0.23 119.26 121.78 1cnp h ALA 81 Ca 0.21 -0.46 0.08 0.00 0.00 0.00 0.00 54.91 54.73 1cnp h ALA 81 Cb 0.31 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 1cnp h ALA 81 CO -0.42 0.25 -0.26 1.98 0.00 0.00 0.00 179.25 180.81 1cnp h MET 82 N -0.05 -0.20 0.48 0.00 1.85 -0.76 -0.69 114.93 115.55 1cnp h MET 82 Ca -0.02 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.06 1cnp h MET 82 Cb 1.02 0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.10 1cnp h MET 82 CO 0.08 -0.13 -0.23 0.82 -0.40 0.00 0.00 176.91 177.05 1cnp h ILE 83 N -0.21 0.26 0.00 1.77 2.04 -1.21 0.25 117.51 120.41 1cnp h ILE 83 Ca 0.18 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1cnp h ILE 83 Cb 0.48 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1cnp h ILE 83 CO -0.48 0.05 0.00 0.10 0.00 0.00 0.00 178.15 177.82 1cnp h TYR 84 N -1.06 0.00 0.00 1.37 -0.00 -0.49 -3.36 116.97 113.44 1cnp h TYR 84 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.66 1cnp h TYR 84 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.30 1cnp h TYR 84 CO 0.01 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.26 1cnp n ASN 85 N -2.92 0.00 0.00 0.10 4.13 -0.27 -4.41 115.26 111.88 1cnp n ASN 85 Ca 0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.27 1cnp n ASN 85 Cb 0.32 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.56 1cnp n ASN 85 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1cnp n GLU 86 N 0.00 0.00 -3.58 3.52 0.00 -1.10 -4.75 120.64 114.73 1cnp n GLU 86 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.91 1cnp n GLU 86 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 31.44 31.49 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 0.00 -2.43 -0.55 4.31 0.00 0.06 -1.16 120.51 120.74 1cnp n ALA 87 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1cnp n ALA 87 Cb 0.00 -4.14 0.00 0.00 0.00 0.00 0.00 19.45 15.31 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 -3.96 0.77 -4.47 0.00 4.77 -1.26 -4.89 117.00 107.97 1cnp n LEU 88 Ca -0.13 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.47 1cnp n LEU 88 Cb 0.62 -1.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.16 1cnp n LEU 88 CO 0.65 -0.55 1.90 0.29 -1.33 0.00 0.00 177.39 178.35 1cnp n LYS 89 N -0.41 2.60 0.00 3.23 5.02 -0.31 -4.84 118.16 123.45 1cnp n LYS 89 Ca 0.00 -2.91 0.00 0.00 -2.02 0.00 0.00 58.31 53.38 1cnp n LYS 89 Cb 0.16 -3.53 0.00 0.00 -0.02 0.00 0.00 35.03 31.65 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29