#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cnp s ALA 2 N 0.00 -1.24 0.87 3.17 0.00 -1.26 -5.12 121.76 118.18 1cnp s ALA 2 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 1cnp s ALA 2 Cb 0.00 0.86 0.12 0.00 0.00 0.00 0.00 23.12 24.10 1cnp s ALA 2 CO 0.00 -1.00 1.13 -1.12 0.00 0.00 0.00 175.76 174.78 1cnp s SER 3 N -2.90 3.85 0.15 0.00 0.01 -1.26 -4.67 113.70 108.87 1cnp s SER 3 Ca 0.10 1.01 -0.28 0.00 1.31 0.00 0.00 55.95 58.08 1cnp s SER 3 Cb -0.05 -1.61 -0.02 0.00 0.21 0.00 0.00 66.02 64.55 1cnp s SER 3 CO 0.04 -2.34 1.57 -0.65 0.41 0.00 0.00 173.24 172.27 1cnp h PRO 4 N -1.35 -0.34 -0.52 12.44 0.11 -2.03 0.18 132.00 140.49 1cnp h PRO 4 Ca -0.49 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1cnp h PRO 4 Cb 1.32 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.49 1cnp h PRO 4 CO 0.62 -0.23 0.12 -0.07 -0.21 0.00 0.00 178.00 178.23 1cnp h LEU 5 N -0.35 0.80 -0.55 2.35 3.38 -1.98 0.89 115.31 119.85 1cnp h LEU 5 Ca 0.12 -0.24 0.10 0.00 0.09 0.00 0.00 57.88 57.95 1cnp h LEU 5 Cb 0.59 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.02 1cnp h LEU 5 CO -0.57 0.83 -0.30 0.44 0.09 0.00 0.00 178.44 178.94 1cnp h ASP 6 N 0.73 -1.04 0.32 -0.43 5.19 -1.80 0.86 116.42 120.26 1cnp h ASP 6 Ca 0.16 0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.77 1cnp h ASP 6 Cb 0.35 0.53 0.00 0.00 0.18 0.00 0.00 39.33 40.39 1cnp h ASP 6 CO 0.00 -0.29 -0.15 1.56 -3.12 0.00 0.00 179.24 177.24 1cnp h GLN 7 N -0.16 -0.41 -0.74 3.56 4.20 -0.67 -3.20 115.11 117.70 1cnp h GLN 7 Ca 0.23 0.03 0.17 0.00 0.06 0.00 0.00 58.65 59.13 1cnp h GLN 7 Cb 0.53 0.09 -0.12 0.00 0.30 0.00 0.00 27.48 28.29 1cnp h GLN 7 CO -0.64 -0.27 0.10 0.00 -0.67 0.00 0.00 178.83 177.35 1cnp h ALA 8 N 0.24 0.87 -0.12 3.87 0.00 0.63 0.15 119.26 124.91 1cnp h ALA 8 Ca -0.04 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1cnp h ALA 8 Cb 0.34 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1cnp h ALA 8 CO 0.07 -0.39 -0.50 0.82 0.00 0.00 0.00 179.25 179.26 1cnp h ILE 9 N 0.18 0.05 -0.49 0.00 2.04 -0.89 0.62 117.51 119.02 1cnp h ILE 9 Ca 0.41 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.31 1cnp h ILE 9 Cb 0.72 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1cnp h ILE 9 CO -0.58 0.00 0.26 1.23 0.00 0.00 0.00 178.15 179.06 1cnp h GLY 10 N -0.56 0.69 0.80 5.37 0.00 -1.22 -3.08 103.07 105.08 1cnp h GLY 10 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1cnp h GLY 10 CO -0.42 0.13 -0.18 1.41 0.00 0.00 0.00 176.54 177.48 1cnp h LEU 11 N 0.51 -0.49 -0.47 3.11 3.38 0.05 0.12 115.31 121.53 1cnp h LEU 11 Ca 0.21 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.32 1cnp h LEU 11 Cb 0.10 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 1cnp h LEU 11 CO -0.14 -0.28 -0.17 -0.07 0.09 0.00 0.00 178.44 177.87 1cnp h LEU 12 N -0.41 -0.61 0.23 1.67 -0.00 -0.83 0.33 115.31 115.68 1cnp h LEU 12 Ca -0.00 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1cnp h LEU 12 Cb 0.38 0.36 -0.02 0.00 -0.00 0.00 0.00 40.66 41.38 1cnp h LEU 12 CO -0.03 -0.21 -0.24 0.40 -0.00 0.00 0.00 178.44 178.36 1cnp h ILE 13 N -0.07 0.49 0.59 1.22 2.04 -1.41 0.16 117.51 120.53 1cnp h ILE 13 Ca 0.22 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 1cnp h ILE 13 Cb 0.42 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1cnp h ILE 13 CO -0.52 0.00 -0.45 1.23 0.00 0.00 0.00 178.15 178.41 1cnp h GLY 14 N -0.50 -1.15 -0.27 5.37 0.00 0.09 0.05 103.07 106.66 1cnp h GLY 14 Ca -0.00 0.51 0.05 0.00 0.00 0.00 0.00 47.33 47.88 1cnp h GLY 14 CO -0.06 -0.38 -0.51 -2.22 0.00 0.00 0.00 176.54 173.36 1cnp h ILE 15 N -1.01 0.04 -0.86 2.60 2.04 -0.41 0.16 117.51 120.07 1cnp h ILE 15 Ca -0.07 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.87 1cnp h ILE 15 Cb 0.84 0.04 -0.11 0.00 -0.74 0.00 0.00 36.82 36.85 1cnp h ILE 15 CO 0.02 0.00 -0.55 0.15 0.00 0.00 0.00 178.15 177.76 1cnp h PHE 16 N -0.45 -1.77 -0.21 1.37 3.04 -0.43 0.39 116.94 118.89 1cnp h PHE 16 Ca 0.08 0.12 -0.14 0.00 3.98 0.00 0.00 57.97 62.00 1cnp h PHE 16 Cb 0.62 0.89 -0.01 0.00 2.56 0.00 0.00 35.95 40.01 1cnp h PHE 16 CO -0.64 -0.37 -0.46 0.45 -2.02 0.00 0.00 178.31 175.27 1cnp h HIS 17 N -0.06 0.63 -0.59 0.41 3.86 -0.31 -0.18 115.15 118.92 1cnp h HIS 17 Ca 0.14 -0.20 -0.08 0.00 -1.16 0.00 0.00 60.37 59.07 1cnp h HIS 17 Cb 0.42 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 1cnp h HIS 17 CO -0.98 0.89 0.05 -0.22 0.86 0.00 0.00 177.93 178.53 1cnp h LYS 18 N 0.42 0.99 0.00 2.45 1.63 -0.18 -2.84 116.57 119.03 1cnp h LYS 18 Ca 0.03 -0.27 -0.02 0.00 -0.85 0.00 0.00 60.65 59.53 1cnp h LYS 18 Cb 0.97 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1cnp h LYS 18 CO 0.09 0.94 -0.10 1.88 -3.45 0.00 0.00 179.45 178.81 1cnp h TYR 19 N 0.92 0.00 0.00 1.91 -1.99 0.00 -3.17 116.97 114.64 1cnp h TYR 19 Ca 0.18 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.30 1cnp h TYR 19 Cb 0.47 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.21 1cnp h TYR 19 CO 0.03 0.10 3.00 -1.13 -0.00 0.00 0.00 178.16 180.16 1cnp n SER 20 N -3.13 5.10 0.12 3.88 3.41 -0.10 -0.87 113.62 122.03 1cnp n SER 20 Ca 0.03 -2.60 -0.13 0.00 -0.26 0.00 0.00 58.87 55.91 1cnp n SER 20 Cb 0.54 -1.37 -0.06 0.00 -0.26 0.00 0.00 64.21 63.07 1cnp n SER 20 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1cnp h GLY 21 N 9.65 -0.44 -1.69 5.00 0.00 -1.74 -3.42 103.07 110.43 1cnp h GLY 21 Ca 0.60 0.27 -0.00 0.00 0.00 0.00 0.00 47.33 48.19 1cnp h GLY 21 CO 1.77 -0.21 -0.02 1.17 0.00 0.00 0.00 176.54 179.25 1cnp n LYS 22 N -5.35 -0.02 0.00 4.80 0.00 -1.26 -4.65 118.16 111.68 1cnp n LYS 22 Ca -0.07 0.02 0.00 0.00 0.00 0.00 0.00 58.31 58.26 1cnp n LYS 22 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 35.03 35.27 1cnp n LYS 22 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1cnp n GLU 23 N 0.20 0.00 0.00 1.64 -0.00 -1.26 -3.68 120.64 117.54 1cnp n GLU 23 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1cnp n GLU 23 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.45 1cnp n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1cnp n GLY 24 N -0.00 -0.13 3.71 -1.84 0.00 -1.26 -4.90 105.19 100.76 1cnp n GLY 24 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1cnp n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cnp s ASP 25 N -1.48 3.88 -0.34 1.61 -1.08 -1.24 -4.95 116.67 113.07 1cnp s ASP 25 Ca 0.00 2.43 0.07 0.00 -0.52 0.00 0.00 52.55 54.53 1cnp s ASP 25 Cb 0.00 -2.60 0.45 0.00 -1.46 0.00 0.00 42.92 39.31 1cnp s ASP 25 CO 0.00 -2.48 1.16 0.29 0.52 0.00 0.00 175.17 174.66 1cnp n LYS 26 N -2.93 3.48 -4.44 4.34 4.76 -1.26 -4.65 118.16 117.47 1cnp n LYS 26 Ca 0.14 -4.25 -0.24 0.00 -2.87 0.00 0.00 58.31 51.09 1cnp n LYS 26 Cb 0.50 -2.24 -0.08 0.00 -1.84 0.00 0.00 35.03 31.37 1cnp n LYS 26 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 1cnp s HIS 27 N -3.58 1.77 -0.05 2.13 -3.43 -1.26 -4.83 115.29 106.04 1cnp s HIS 27 Ca 0.49 -1.45 -0.04 0.00 -0.80 0.00 0.00 55.06 53.26 1cnp s HIS 27 Cb 0.41 -0.99 0.02 0.00 -1.43 0.00 0.00 32.58 30.58 1cnp s HIS 27 CO -0.03 -0.53 0.09 0.25 -2.00 0.00 0.00 174.74 172.51 1cnp n THR 28 N -0.83-11.29 -2.01 -5.38 -2.24 -1.26 -4.86 114.28 86.42 1cnp n THR 28 Ca -0.01 2.57 -0.42 0.00 -2.27 0.00 0.00 64.05 63.92 1cnp n THR 28 Cb 0.64 -5.61 -0.03 0.00 -2.10 0.00 0.00 70.33 63.23 1cnp n THR 28 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1cnp s LEU 29 N -0.53 4.37 -0.05 3.22 0.20 0.13 -4.46 118.68 121.57 1cnp s LEU 29 Ca -0.10 2.55 -0.30 0.00 0.69 0.00 0.00 54.13 56.97 1cnp s LEU 29 Cb 0.01 -3.60 -0.04 0.00 -0.43 0.00 0.00 46.19 42.12 1cnp s LEU 29 CO 0.27 -0.76 1.43 -0.44 -0.29 0.00 0.00 176.35 176.56 1cnp s SER 30 N 0.98 6.83 0.49 3.68 0.01 -0.05 -2.45 113.70 123.20 1cnp s SER 30 Ca 0.67 2.04 0.22 0.00 1.31 0.00 0.00 55.95 60.18 1cnp s SER 30 Cb -0.42 -2.55 1.28 0.00 0.21 0.00 0.00 66.02 64.54 1cnp s SER 30 CO 0.33 -0.78 1.97 0.07 0.41 0.00 0.00 173.24 175.24 1cnp h LYS 31 N 8.34 0.15 0.63 12.44 -0.00 -1.88 0.72 116.57 136.97 1cnp h LYS 31 Ca -0.35 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.65 60.26 1cnp h LYS 31 Cb 1.16 -0.03 0.01 0.00 -0.00 0.00 0.00 32.23 33.36 1cnp h LYS 31 CO 0.93 0.10 -0.30 -0.22 -0.00 0.00 0.00 179.45 179.95 1cnp h LYS 32 N 0.15 -0.82 -0.90 0.07 3.64 -1.95 -3.18 116.57 113.58 1cnp h LYS 32 Ca 0.30 0.06 0.21 0.00 -1.27 0.00 0.00 60.65 59.95 1cnp h LYS 32 Cb 0.98 0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.86 1cnp h LYS 32 CO -0.04 -0.55 0.42 0.93 -2.27 0.00 0.00 179.45 177.95 1cnp h GLU 33 N -1.18 0.44 -0.85 1.90 3.07 -1.63 0.18 114.58 116.50 1cnp h GLU 33 Ca -0.09 -0.03 0.21 0.00 -0.50 0.00 0.00 59.36 58.96 1cnp h GLU 33 Cb 0.65 -0.10 -0.13 0.00 -0.84 0.00 0.00 28.75 28.33 1cnp h GLU 33 CO 0.14 0.29 0.26 1.25 -1.40 0.00 0.00 179.01 179.55 1cnp h LEU 34 N 0.45 0.08 -1.37 1.33 5.85 -0.91 -0.03 115.31 120.72 1cnp h LEU 34 Ca 0.56 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 59.42 1cnp h LEU 34 Cb 1.04 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1cnp h LEU 34 CO -0.50 -0.09 0.10 0.50 -0.34 0.00 0.00 178.44 178.11 1cnp h LYS 35 N 0.27 0.53 0.21 1.25 1.63 -0.62 0.25 116.57 120.08 1cnp h LYS 35 Ca 0.52 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 60.23 1cnp h LYS 35 Cb 0.99 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 1cnp h LYS 35 CO -0.59 0.48 -0.10 1.49 -3.45 0.00 0.00 179.45 177.28 1cnp h GLU 36 N 0.52 -0.27 -0.34 1.90 4.81 -1.10 -3.24 114.58 116.87 1cnp h GLU 36 Ca 0.12 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.44 1cnp h GLU 36 Cb 0.18 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.54 1cnp h GLU 36 CO -0.01 -0.01 -0.36 1.25 -0.73 0.00 0.00 179.01 179.15 1cnp h LEU 37 N -0.50 -1.19 -0.50 1.64 6.46 0.38 -0.20 115.31 121.40 1cnp h LEU 37 Ca -0.03 0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1cnp h LEU 37 Cb 0.38 0.53 -0.03 0.00 -0.73 0.00 0.00 40.66 40.81 1cnp h LEU 37 CO 0.05 -0.35 0.31 -0.29 -0.62 0.00 0.00 178.44 177.54 1cnp h ILE 38 N -0.32 1.08 0.30 4.05 -0.00 -1.13 0.12 117.51 121.61 1cnp h ILE 38 Ca 0.14 -0.21 -0.01 0.00 -0.00 0.00 0.00 64.86 64.77 1cnp h ILE 38 Cb 0.56 0.40 0.00 0.00 -0.00 0.00 0.00 36.82 37.79 1cnp h ILE 38 CO -0.51 0.11 -0.14 1.56 -0.00 0.00 0.00 178.15 179.17 1cnp h GLN 39 N 0.62 -0.38 0.00 2.19 4.20 -1.36 -3.36 115.11 117.03 1cnp h GLN 39 Ca 0.19 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1cnp h GLN 39 Cb -0.02 0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1cnp h GLN 39 CO -0.07 -0.15 0.00 0.36 -0.67 0.00 0.00 178.83 178.30 1cnp n LYS 40 N -5.19 0.00 -0.28 1.46 2.85 -0.17 -4.61 118.16 112.22 1cnp n LYS 40 Ca -0.10 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.26 1cnp n LYS 40 Cb 0.22 -0.10 0.25 0.00 -0.65 0.00 0.00 35.03 34.75 1cnp n LYS 40 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1cnp h GLU 41 N 0.00 0.21 0.00 -1.58 3.07 -1.26 0.12 114.58 115.13 1cnp h GLU 41 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1cnp h GLU 41 Cb 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1cnp h GLU 41 CO 0.00 0.14 0.00 -0.07 -1.40 0.00 0.00 179.01 177.68 1cnp h LEU 42 N 0.21 0.00 -2.32 1.33 3.38 -0.99 -3.46 115.31 113.46 1cnp h LEU 42 Ca 0.50 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.23 1cnp h LEU 42 Cb 0.96 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.89 1cnp h LEU 42 CO -0.63 0.00 -0.75 0.41 0.09 0.00 0.00 178.44 177.57 1cnp n THR 43 N -2.47 -7.65 -0.05 0.22 -1.04 0.41 -4.93 114.28 98.76 1cnp n THR 43 Ca -0.01 -1.04 -0.11 0.00 -2.04 0.00 0.00 64.05 60.85 1cnp n THR 43 Cb 0.09 -5.84 -0.05 0.00 -1.82 0.00 0.00 70.33 62.71 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 -1.13 1.17 0.00 12.58 1.08 -1.79 -3.46 117.51 125.95 1cnp h ILE 44 Ca -0.54 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 1cnp h ILE 44 Cb 1.28 1.15 0.00 0.00 -3.07 0.00 0.00 36.82 36.18 1cnp h ILE 44 CO 0.40 0.16 0.00 0.61 -0.69 0.00 0.00 178.15 178.63 1cnp n GLY 45 N -0.69 0.57 1.52 5.37 0.00 -1.26 -1.32 105.19 109.38 1cnp n GLY 45 Ca -0.04 0.69 -0.02 0.00 0.00 0.00 0.00 46.02 46.65 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 6.55 -0.16 -0.13 1.61 7.64 -1.26 -4.92 113.62 122.95 1cnp n SER 46 Ca 0.00 -2.03 -0.11 0.00 1.01 0.00 0.00 58.87 57.74 1cnp n SER 46 Cb 0.00 0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.68 0.74 -6.14 1.43 3.64 -1.54 -3.37 116.57 112.02 1cnp h LYS 47 Ca -0.40 -0.30 -0.56 0.00 -1.27 0.00 0.00 60.65 58.11 1cnp h LYS 47 Cb 1.55 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.29 1cnp h LYS 47 CO -0.11 0.91 0.34 -1.17 -2.27 0.00 0.00 179.45 177.15 1cnp s LEU 48 N -9.21 4.27 -0.50 5.20 2.96 -1.26 -4.96 118.68 115.18 1cnp s LEU 48 Ca -0.13 1.37 -0.06 0.00 -0.22 0.00 0.00 54.13 55.09 1cnp s LEU 48 Cb 0.10 -3.34 -0.14 0.00 0.50 0.00 0.00 46.19 43.31 1cnp s LEU 48 CO 0.82 -0.30 3.24 0.00 -1.32 0.00 0.00 176.35 178.78 1cnp n GLN 49 N 4.50 2.60 -3.18 1.98 6.02 -1.26 -4.73 117.38 123.32 1cnp n GLN 49 Ca 0.04 -1.69 -0.09 0.00 -0.01 0.00 0.00 57.00 55.25 1cnp n GLN 49 Cb 0.50 -2.23 -0.01 0.00 1.02 0.00 0.00 30.24 29.52 1cnp n GLN 49 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1cnp n ASP 50 N 2.32 -1.17 0.00 1.08 -0.08 -1.26 -5.07 116.55 112.37 1cnp n ASP 50 Ca 0.53 -2.28 0.00 0.00 -1.51 0.00 0.00 54.79 51.53 1cnp n ASP 50 Cb 0.66 2.09 0.00 0.00 2.34 0.00 0.00 41.12 46.21 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 -1.34 0.00 -0.11 -1.67 0.00 -1.26 -4.85 120.51 111.28 1cnp n ALA 51 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 1cnp n ALA 51 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 0.52 -0.03 0.00 4.39 -1.99 0.14 114.58 117.60 1cnp h GLU 52 Ca 0.00 -0.12 -0.24 0.00 0.34 0.00 0.00 59.36 59.34 1cnp h GLU 52 Cb 0.00 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1cnp h GLU 52 CO 0.00 0.56 -0.94 -0.84 -1.16 0.00 0.00 179.01 176.63 1cnp h ILE 53 N 0.37 1.32 -0.38 3.13 3.07 -2.00 -3.33 117.51 119.69 1cnp h ILE 53 Ca 0.10 -2.25 0.08 0.00 1.55 0.00 0.00 64.86 64.35 1cnp h ILE 53 Cb 0.27 2.30 -0.08 0.00 -0.27 0.00 0.00 36.82 39.04 1cnp h ILE 53 CO -0.00 0.69 -0.16 0.58 -1.05 0.00 0.00 178.15 178.20 1cnp h VAL 54 N 0.36 0.48 0.00 0.16 2.07 -1.83 0.97 116.25 118.46 1cnp h VAL 54 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1cnp h VAL 54 Cb 1.58 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1cnp h VAL 54 CO 0.18 0.00 0.00 2.29 0.02 0.00 0.00 177.57 180.06 1cnp n LYS 55 N -5.35 0.11 -0.06 1.57 2.85 0.44 -0.38 118.16 117.34 1cnp n LYS 55 Ca 0.02 0.40 -0.22 0.00 -1.05 0.00 0.00 58.31 57.46 1cnp n LYS 55 Cb 0.26 -1.74 -0.12 0.00 -0.65 0.00 0.00 35.03 32.78 1cnp n LYS 55 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1cnp n LEU 56 N -1.95 2.31 -0.04 -5.58 7.94 -0.34 -4.65 117.00 114.69 1cnp n LEU 56 Ca 0.02 0.27 -0.15 0.00 -1.11 0.00 0.00 56.01 55.04 1cnp n LEU 56 Cb 0.17 -1.02 -0.08 0.00 0.53 0.00 0.00 43.42 43.03 1cnp n LEU 56 CO 0.15 0.62 0.43 -0.03 -1.11 0.00 0.00 177.39 177.45 1cnp h MET 57 N -0.44 0.53 -0.76 1.96 4.05 -0.07 -3.37 114.93 116.84 1cnp h MET 57 Ca -0.44 -0.38 0.13 0.00 -0.28 0.00 0.00 59.70 58.73 1cnp h MET 57 Cb 1.71 0.06 -0.13 0.00 -0.80 0.00 0.00 31.60 32.44 1cnp h MET 57 CO -0.09 1.00 -0.25 -0.40 0.23 0.00 0.00 176.91 177.41 1cnp n ASP 58 N -4.28 -0.39 0.33 1.39 5.75 0.49 -0.85 116.55 118.99 1cnp n ASP 58 Ca -0.07 1.31 0.13 0.00 -0.01 0.00 0.00 54.79 56.15 1cnp n ASP 58 Cb 0.55 -0.34 0.70 0.00 -1.03 0.00 0.00 41.12 40.99 1cnp n ASP 58 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1cnp h ASP 59 N 0.00 0.00 -0.99 -1.12 3.32 -1.84 -0.99 116.42 114.80 1cnp h ASP 59 Ca 0.31 0.00 0.36 0.00 0.02 0.00 0.00 57.03 57.71 1cnp h ASP 59 Cb 0.50 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.88 1cnp h ASP 59 CO -0.76 0.00 0.45 0.25 -1.72 0.00 0.00 179.24 177.45 1cnp h LEU 60 N 0.00 0.23 -0.65 1.55 6.46 -1.28 0.22 115.31 121.85 1cnp h LEU 60 Ca 0.00 0.24 0.11 0.00 -0.12 0.00 0.00 57.88 58.11 1cnp h LEU 60 Cb 0.85 0.26 -0.08 0.00 -0.73 0.00 0.00 40.66 40.96 1cnp h LEU 60 CO 0.00 -0.32 0.23 -0.78 -0.62 0.00 0.00 178.44 176.95 1cnp h ASP 61 N 0.11 0.20 -0.38 1.25 3.58 -1.42 0.18 116.42 119.94 1cnp h ASP 61 Ca 0.76 0.09 -0.08 0.00 0.42 0.00 0.00 57.03 58.21 1cnp h ASP 61 Cb 1.84 0.08 -0.05 0.00 1.72 0.00 0.00 39.33 42.93 1cnp h ASP 61 CO -0.74 0.11 0.11 -2.11 -2.88 0.00 0.00 179.24 173.73 1cnp n ARG 62 N -5.02 2.70 0.00 0.28 -4.01 0.74 -4.88 116.66 106.47 1cnp n ARG 62 Ca 0.10 -1.69 0.00 0.00 -1.04 0.00 0.00 57.85 55.22 1cnp n ARG 62 Cb 0.32 -1.84 0.00 0.00 -3.04 0.00 0.00 32.46 27.90 1cnp n ARG 62 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 1cnp n ASN 63 N 0.12 0.00 -2.32 2.89 0.23 0.05 -0.82 115.26 115.41 1cnp n ASN 63 Ca 0.20 0.08 -0.27 0.00 -0.53 0.00 0.00 54.58 54.06 1cnp n ASN 63 Cb 0.88 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.59 1cnp n ASN 63 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1cnp n LYS 64 N -0.33 2.31 -2.21 -3.83 4.76 -1.26 -4.82 118.16 112.78 1cnp n LYS 64 Ca 0.00 -2.44 -0.20 0.00 -2.87 0.00 0.00 58.31 52.80 1cnp n LYS 64 Cb 0.00 -2.01 -0.03 0.00 -1.84 0.00 0.00 35.03 31.15 1cnp n LYS 64 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1cnp n ASP 65 N 0.14 -5.63 -4.81 4.39 8.00 0.00 -4.97 116.55 113.68 1cnp n ASP 65 Ca 0.46 0.09 -0.31 0.00 0.71 0.00 0.00 54.79 55.74 1cnp n ASP 65 Cb 0.54 -4.70 0.07 0.00 -0.02 0.00 0.00 41.12 37.00 1cnp n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cnp s GLN 66 N -4.72 2.53 -0.86 -1.24 0.00 -1.26 -4.95 119.66 109.15 1cnp s GLN 66 Ca 0.00 0.86 -0.25 0.00 -0.00 0.00 0.00 55.36 55.97 1cnp s GLN 66 Cb 0.00 -1.95 0.04 0.00 0.00 0.00 0.00 33.01 31.10 1cnp s GLN 66 CO 0.00 -1.36 1.35 -2.00 0.00 0.00 0.00 175.29 173.27 1cnp s GLU 67 N -5.06 3.37 -0.12 9.60 2.56 -1.26 -4.61 118.70 123.17 1cnp s GLU 67 Ca 0.59 -0.66 -0.29 0.00 0.00 0.00 0.00 54.97 54.61 1cnp s GLU 67 Cb -0.15 -4.71 -0.06 0.00 2.00 0.00 0.00 34.13 31.21 1cnp s GLU 67 CO 0.55 -2.16 2.04 0.08 -0.56 0.00 0.00 175.26 175.20 1cnp s VAL 68 N 5.32 3.11 0.67 3.70 1.01 -1.03 -4.62 120.40 128.57 1cnp s VAL 68 Ca 0.40 0.12 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 1cnp s VAL 68 Cb -0.05 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1cnp s VAL 68 CO 0.04 -0.05 1.07 0.20 0.00 0.00 0.00 175.10 176.36 1cnp s ASN 69 N 6.23 5.32 0.40 3.32 0.01 -1.26 0.22 114.94 129.19 1cnp s ASN 69 Ca 0.92 1.75 0.17 0.00 -0.71 0.00 0.00 52.86 54.99 1cnp s ASN 69 Cb -0.36 -2.52 1.06 0.00 0.41 0.00 0.00 41.25 39.85 1cnp s ASN 69 CO 0.37 -1.48 1.82 0.15 -1.51 0.00 0.00 177.10 176.44 1cnp h PHE 70 N -0.37 0.63 0.02 2.20 3.04 -1.98 0.41 116.94 120.89 1cnp h PHE 70 Ca -0.45 0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.55 1cnp h PHE 70 Cb 1.22 -0.19 -0.05 0.00 2.56 0.00 0.00 35.95 39.49 1cnp h PHE 70 CO 0.60 0.13 -0.36 0.37 -2.02 0.00 0.00 178.31 177.02 1cnp h GLN 71 N 0.44 -0.51 0.40 1.11 -0.00 -1.98 0.26 115.11 114.82 1cnp h GLN 71 Ca 0.53 0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 59.19 1cnp h GLN 71 Cb 1.28 0.12 0.00 0.00 0.00 0.00 0.00 27.48 28.88 1cnp h GLN 71 CO -0.24 -0.34 -0.19 0.93 0.00 0.00 0.00 178.83 178.99 1cnp h GLU 72 N -0.53 -0.51 -0.91 1.69 5.08 -1.35 0.25 114.58 118.29 1cnp h GLU 72 Ca 0.05 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.62 1cnp h GLU 72 Cb 0.60 0.12 -0.17 0.00 0.50 0.00 0.00 28.75 29.80 1cnp h GLU 72 CO -0.27 -0.25 -0.28 -0.92 -1.00 0.00 0.00 179.01 176.28 1cnp h TYR 73 N -0.69 -0.68 -0.24 4.33 3.20 -1.08 0.11 116.97 121.92 1cnp h TYR 73 Ca -0.05 0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1cnp h TYR 73 Cb 0.49 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1cnp h TYR 73 CO -0.01 -0.40 0.07 0.82 -1.64 0.00 0.00 178.16 177.01 1cnp h ILE 74 N -0.01 1.19 -0.39 1.81 1.08 0.02 0.53 117.51 121.75 1cnp h ILE 74 Ca 0.40 -0.62 0.03 0.00 -0.39 0.00 0.00 64.86 64.28 1cnp h ILE 74 Cb 0.64 1.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.51 1cnp h ILE 74 CO -0.94 0.20 0.20 0.74 -0.69 0.00 0.00 178.15 177.66 1cnp h THR 75 N 0.22 0.99 0.47 -0.27 2.02 0.18 0.42 112.91 116.94 1cnp h THR 75 Ca 0.08 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1cnp h THR 75 Cb 0.24 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1cnp h THR 75 CO -0.00 0.07 -0.37 0.15 0.37 0.00 0.00 175.52 175.74 1cnp h PHE 76 N 0.40 -1.00 -0.81 3.16 3.57 -0.85 -2.75 116.94 118.66 1cnp h PHE 76 Ca 0.16 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.75 1cnp h PHE 76 Cb 0.06 0.37 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 1cnp h PHE 76 CO -0.10 -0.52 0.53 1.37 -2.23 0.00 0.00 178.31 177.37 1cnp h LEU 77 N -0.81 0.72 -1.93 0.59 8.10 -0.65 0.14 115.31 121.46 1cnp h LEU 77 Ca -0.06 0.01 0.27 0.00 0.11 0.00 0.00 57.88 58.21 1cnp h LEU 77 Cb 0.68 -0.14 -0.04 0.00 -0.44 0.00 0.00 40.66 40.72 1cnp h LEU 77 CO 0.01 0.44 0.67 1.23 -4.11 0.00 0.00 178.44 176.68 1cnp h GLY 78 N 0.80 0.13 2.00 0.17 0.00 -0.02 -0.13 103.07 106.02 1cnp h GLY 78 Ca 0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1cnp h GLY 78 CO -0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 176.54 176.35 1cnp h ALA 79 N 1.54 1.52 -0.06 3.60 0.00 -0.42 0.14 119.26 125.58 1cnp h ALA 79 Ca 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1cnp h ALA 79 Cb 1.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1cnp h ALA 79 CO -0.03 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1cnp n LEU 80 N -3.88 1.53 0.00 0.00 7.99 -0.06 -4.76 117.00 117.81 1cnp n LEU 80 Ca -0.03 -0.55 0.00 0.00 -0.01 0.00 0.00 56.01 55.42 1cnp n LEU 80 Cb 0.13 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 1cnp n LEU 80 CO 0.29 0.28 0.35 0.00 -1.51 0.00 0.00 177.39 176.80 1cnp n ALA 81 N 0.20 -0.05 0.24 -1.18 0.00 0.50 -1.23 120.51 119.00 1cnp n ALA 81 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.68 1cnp n ALA 81 Cb 0.34 0.27 0.29 0.00 0.00 0.00 0.00 19.45 20.35 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 -1.63 0.06 0.01 0.00 2.81 -1.26 0.18 117.12 117.29 1cnp n MET 82 Ca 0.00 0.44 -0.01 0.00 -1.81 0.00 0.00 57.70 56.32 1cnp n MET 82 Cb 0.00 -1.65 -0.01 0.00 -0.71 0.00 0.00 33.22 30.85 1cnp n MET 82 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1cnp h ILE 83 N 0.00 0.00 -0.46 2.02 2.04 -1.78 -3.38 117.51 115.95 1cnp h ILE 83 Ca 0.00 -0.49 -0.19 0.00 1.00 0.00 0.00 64.86 65.18 1cnp h ILE 83 Cb 0.13 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.10 1cnp h ILE 83 CO 0.00 0.00 0.24 0.00 0.00 0.00 0.00 178.15 178.39 1cnp n TYR 84 N -3.58 1.47 -0.16 1.37 0.18 -0.36 -4.84 117.16 111.24 1cnp n TYR 84 Ca -0.01 -0.96 -0.02 0.00 1.88 0.00 0.00 57.90 58.79 1cnp n TYR 84 Cb 0.03 -0.53 -0.01 0.00 -0.38 0.00 0.00 39.34 38.45 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 -0.16 -0.34 -0.25 9.48 4.05 0.13 -0.52 115.26 127.65 1cnp n ASN 85 Ca 0.27 0.72 0.30 0.00 0.45 0.00 0.00 54.58 56.31 1cnp n ASN 85 Cb 1.01 -0.13 0.69 0.00 1.23 0.00 0.00 39.78 42.58 1cnp n ASN 85 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 1cnp h GLU 86 N 0.00 0.08 0.00 1.20 9.09 -1.88 0.32 114.58 123.39 1cnp h GLU 86 Ca 0.10 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.51 1cnp h GLU 86 Cb 0.21 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 1cnp h GLU 86 CO -0.39 0.05 0.00 0.00 0.05 0.00 0.00 179.01 178.72 1cnp h ALA 87 N 1.51 1.00 0.05 1.06 0.00 -1.18 -3.37 119.26 118.34 1cnp h ALA 87 Ca 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 1cnp h ALA 87 Cb 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1cnp h ALA 87 CO -0.06 0.00 -0.02 -0.07 0.00 0.00 0.00 179.25 179.10 1cnp h LEU 88 N 0.00 -0.06 -5.09 0.00 3.38 -1.11 -3.42 115.31 109.01 1cnp h LEU 88 Ca 0.00 -0.40 -0.26 0.00 0.09 0.00 0.00 57.88 57.32 1cnp h LEU 88 Cb 0.24 0.01 -0.17 0.00 0.09 0.00 0.00 40.66 40.84 1cnp h LEU 88 CO 0.00 0.38 -0.53 2.29 0.09 0.00 0.00 178.44 180.67 1cnp n LYS 89 N -4.92 0.90 0.00 1.13 2.85 -1.26 -5.14 118.16 111.72 1cnp n LYS 89 Ca -0.08 -1.97 0.00 0.00 -1.05 0.00 0.00 58.31 55.20 1cnp n LYS 89 Cb 0.23 -1.26 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76