#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cb1 n ALA -1 N 0.00 6.67 -1.42 -0.43 0.00 -1.26 -4.78 120.51 119.29 1cb1 n ALA -1 Ca 0.00 -2.36 -0.39 0.00 0.00 0.00 0.00 53.44 50.68 1cb1 n ALA -1 Cb 0.00 -2.68 -0.02 0.00 0.00 0.00 0.00 19.45 16.75 1cb1 n ALA -1 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1cb1 n GLN 0 N 2.89 2.82 -0.29 0.00 3.00 -1.26 -4.66 117.38 119.88 1cb1 n GLN 0 Ca 0.54 -2.25 -0.05 0.00 -0.01 0.00 0.00 57.00 55.23 1cb1 n GLN 0 Cb 0.66 -3.01 0.07 0.00 0.00 0.00 0.00 30.24 27.97 1cb1 n GLN 0 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1cb1 h LYS 1 N 6.03 1.10 0.00 -1.09 1.63 -2.00 -3.47 116.57 118.77 1cb1 h LYS 1 Ca 0.63 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 60.31 1cb1 h LYS 1 Cb 0.49 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1cb1 h LYS 1 CO 1.83 0.80 0.00 0.45 -3.45 0.00 0.00 179.45 179.08 1cb1 n SER 2 N -4.43 0.00 -0.17 4.20 2.88 -1.26 -4.96 113.62 109.88 1cb1 n SER 2 Ca 0.08 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.63 1cb1 n SER 2 Cb 0.08 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 63.84 1cb1 n SER 2 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1cb1 h PRO 3 N 0.00 0.88 -0.46 -1.46 0.13 -1.99 -0.12 132.00 128.99 1cb1 h PRO 3 Ca 0.00 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.03 1cb1 h PRO 3 Cb 0.00 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 30.91 1cb1 h PRO 3 CO 0.00 0.58 0.07 0.00 -0.23 0.00 0.00 178.00 178.42 1cb1 h ALA 4 N 1.58 1.28 0.04 -0.56 0.00 -1.98 0.21 119.26 119.83 1cb1 h ALA 4 Ca 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1cb1 h ALA 4 Cb -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1cb1 h ALA 4 CO -0.06 0.50 -0.02 1.49 0.00 0.00 0.00 179.25 181.17 1cb1 h GLU 5 N 0.68 -0.05 -0.96 0.00 4.22 -1.69 0.11 114.58 116.89 1cb1 h GLU 5 Ca 0.15 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.67 1cb1 h GLU 5 Cb 0.31 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 1cb1 h GLU 5 CO 0.00 0.37 0.62 -0.07 -2.18 0.00 0.00 179.01 177.75 1cb1 h LEU 6 N -0.47 0.95 -0.13 1.64 3.38 -0.70 -0.02 115.31 119.96 1cb1 h LEU 6 Ca -0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1cb1 h LEU 6 Cb 0.43 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1cb1 h LEU 6 CO 0.01 0.59 0.05 0.50 0.09 0.00 0.00 178.44 179.68 1cb1 h LYS 7 N 1.06 0.19 -0.51 1.13 3.64 -0.44 0.60 116.57 122.25 1cb1 h LYS 7 Ca 0.43 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.85 1cb1 h LYS 7 Cb 0.26 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 1cb1 h LYS 7 CO -0.18 0.29 0.15 0.77 -2.27 0.00 0.00 179.45 178.21 1cb1 h SER 8 N 0.05 0.12 0.55 4.20 0.02 0.47 0.13 113.55 119.10 1cb1 h SER 8 Ca 0.04 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1cb1 h SER 8 Cb 0.17 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 1cb1 h SER 8 CO -0.00 0.09 -0.33 0.40 -1.14 0.00 0.00 176.83 175.84 1cb1 h ILE 9 N 0.31 0.32 -0.68 3.27 2.04 -0.80 -2.91 117.51 119.06 1cb1 h ILE 9 Ca 0.25 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.26 1cb1 h ILE 9 Cb 0.31 0.32 -0.12 0.00 -0.74 0.00 0.00 36.82 36.59 1cb1 h ILE 9 CO -0.29 0.00 -0.07 0.15 0.00 0.00 0.00 178.15 177.95 1cb1 h PHE 10 N -0.84 -0.17 -0.65 1.37 3.04 -0.29 0.16 116.94 119.56 1cb1 h PHE 10 Ca -0.07 0.05 0.15 0.00 3.98 0.00 0.00 57.97 62.09 1cb1 h PHE 10 Cb 0.68 0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.33 1cb1 h PHE 10 CO -0.09 -0.24 0.45 0.93 -2.02 0.00 0.00 178.31 177.34 1cb1 h GLU 11 N 0.06 0.22 -0.90 1.11 5.08 -0.57 -0.65 114.58 118.93 1cb1 h GLU 11 Ca 0.35 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.83 1cb1 h GLU 11 Cb 0.57 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 1cb1 h GLU 11 CO -0.63 0.14 0.51 -0.22 -1.00 0.00 0.00 179.01 177.81 1cb1 h LYS 12 N 0.22 0.73 0.00 2.33 1.63 -0.77 0.82 116.57 121.54 1cb1 h LYS 12 Ca 0.31 -0.04 -0.23 0.00 -0.85 0.00 0.00 60.65 59.84 1cb1 h LYS 12 Cb 0.92 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.35 1cb1 h LYS 12 CO -0.06 0.49 -1.27 0.66 -3.45 0.00 0.00 179.45 175.81 1cb1 n TYR 13 N -4.78 0.99 -0.26 1.91 4.02 -0.72 -4.39 117.16 113.95 1cb1 n TYR 13 Ca 0.18 0.43 0.05 0.00 -0.01 0.00 0.00 57.90 58.55 1cb1 n TYR 13 Cb 0.40 -1.09 0.19 0.00 -0.02 0.00 0.00 39.34 38.82 1cb1 n TYR 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1cb1 h ALA 14 N -0.52 1.05 -0.65 -0.72 0.00 -1.03 -0.84 119.26 116.56 1cb1 h ALA 14 Ca -0.35 0.12 0.19 0.00 0.00 0.00 0.00 54.91 54.87 1cb1 h ALA 14 Cb 1.29 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1cb1 h ALA 14 CO -0.21 -0.23 0.60 0.00 0.00 0.00 0.00 179.25 179.40 1cb1 h ALA 15 N 1.56 2.46 -0.15 0.00 0.00 -1.01 -0.05 119.26 122.07 1cb1 h ALA 15 Ca 0.42 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.35 1cb1 h ALA 15 Cb 0.65 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1cb1 h ALA 15 CO -0.42 -0.93 0.12 0.87 0.00 0.00 0.00 179.25 178.89 1cb1 h LYS 16 N 0.00 0.00 -0.01 0.00 1.57 -1.36 0.69 116.57 117.46 1cb1 h LYS 16 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1cb1 h LYS 16 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.81 1cb1 h LYS 16 CO -0.00 0.00 -0.02 0.39 -0.57 0.00 0.00 179.45 179.25 1cb1 n GLU 17 N -4.27 1.27 0.00 3.15 1.02 -0.03 -4.93 120.64 116.85 1cb1 n GLU 17 Ca 0.01 -0.48 0.00 0.00 -0.02 0.00 0.00 57.16 56.67 1cb1 n GLU 17 Cb 0.25 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1cb1 n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cb1 n GLY 18 N 1.12 1.89 3.62 0.62 0.00 0.24 -4.90 105.19 107.77 1cb1 n GLY 18 Ca 0.20 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1cb1 n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cb1 s ASP 19 N 0.00 6.05 0.00 1.61 -1.08 -1.26 -4.78 116.67 117.21 1cb1 s ASP 19 Ca 0.00 1.73 0.29 0.00 -0.52 0.00 0.00 52.55 54.05 1cb1 s ASP 19 Cb 0.00 -2.53 1.70 0.00 -1.46 0.00 0.00 42.92 40.64 1cb1 s ASP 19 CO 0.00 -1.51 2.06 -0.81 0.52 0.00 0.00 175.17 175.44 1cb1 n PRO 20 N 8.10 0.94 -0.08 4.34 -0.04 -1.26 -3.78 135.00 143.21 1cb1 n PRO 20 Ca 0.22 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 1cb1 n PRO 20 Cb 0.45 -1.48 0.25 0.00 -0.04 0.00 0.00 33.50 32.69 1cb1 n PRO 20 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1cb1 n ASN 21 N -0.98 2.68 -3.94 3.54 5.15 -1.26 -4.58 115.26 115.87 1cb1 n ASN 21 Ca 0.21 -1.87 -0.09 0.00 -0.60 0.00 0.00 54.58 52.24 1cb1 n ASN 21 Cb 0.10 -0.10 -0.09 0.00 -0.53 0.00 0.00 39.78 39.16 1cb1 n ASN 21 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1cb1 s GLN 22 N -1.80 0.63 -0.04 1.20 -0.21 -1.25 -0.48 119.66 117.71 1cb1 s GLN 22 Ca 0.34 -0.85 0.01 0.00 0.02 0.00 0.00 55.36 54.88 1cb1 s GLN 22 Cb 0.21 0.24 0.02 0.00 1.00 0.00 0.00 33.01 34.48 1cb1 s GLN 22 CO 0.30 -0.16 -0.04 -0.48 -2.12 0.00 0.00 175.29 172.79 1cb1 s LEU 23 N -2.35 1.34 0.72 2.90 0.05 -0.13 -4.17 118.68 117.05 1cb1 s LEU 23 Ca -0.02 -0.12 -0.02 0.00 0.05 0.00 0.00 54.13 54.03 1cb1 s LEU 23 Cb 0.01 -0.42 0.12 0.00 -2.05 0.00 0.00 46.19 43.85 1cb1 s LEU 23 CO -0.06 -0.05 1.00 -0.44 -0.55 0.00 0.00 176.35 176.24 1cb1 s SER 24 N 0.88 4.35 0.19 1.48 0.01 -1.26 -0.84 113.70 118.51 1cb1 s SER 24 Ca -0.12 -0.29 -0.07 0.00 1.31 0.00 0.00 55.95 56.78 1cb1 s SER 24 Cb -0.14 -0.11 0.28 0.00 0.21 0.00 0.00 66.02 66.26 1cb1 s SER 24 CO 0.00 -1.86 1.09 0.29 0.41 0.00 0.00 173.24 173.17 1cb1 n LYS 25 N -2.86 -0.09 0.44 12.44 5.02 -0.29 -0.47 118.16 132.35 1cb1 n LYS 25 Ca 0.14 1.09 -0.19 0.00 -2.02 0.00 0.00 58.31 57.34 1cb1 n LYS 25 Cb 0.60 -1.62 -0.09 0.00 -0.02 0.00 0.00 35.03 33.90 1cb1 n LYS 25 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1cb1 h GLU 26 N 0.00 -1.06 -0.49 1.97 3.07 -1.94 0.12 114.58 116.26 1cb1 h GLU 26 Ca 0.31 0.07 0.07 0.00 -0.50 0.00 0.00 59.36 59.31 1cb1 h GLU 26 Cb 0.49 0.24 -0.06 0.00 -0.84 0.00 0.00 28.75 28.58 1cb1 h GLU 26 CO -0.71 -0.70 0.16 0.93 -1.40 0.00 0.00 179.01 177.28 1cb1 h GLU 27 N -1.14 0.31 0.06 2.33 3.07 -1.52 -0.76 114.58 116.93 1cb1 h GLU 27 Ca -0.11 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.73 1cb1 h GLU 27 Cb 0.85 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 1cb1 h GLU 27 CO 0.18 0.21 -0.08 -0.07 -1.40 0.00 0.00 179.01 177.85 1cb1 h LEU 28 N 0.32 -0.21 -0.24 1.33 3.38 -0.69 0.86 115.31 120.06 1cb1 h LEU 28 Ca 0.24 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.28 1cb1 h LEU 28 Cb 0.27 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1cb1 h LEU 28 CO -0.26 -0.12 -0.11 0.50 0.09 0.00 0.00 178.44 178.55 1cb1 h LYS 29 N -0.16 -0.07 -0.20 1.13 1.63 -0.19 0.97 116.57 119.68 1cb1 h LYS 29 Ca 0.01 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.85 1cb1 h LYS 29 Cb 0.17 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 1cb1 h LYS 29 CO -0.04 -0.05 0.00 1.96 -3.45 0.00 0.00 179.45 177.88 1cb1 h GLN 30 N -0.07 0.07 -0.47 1.90 4.20 -0.83 0.11 115.11 120.02 1cb1 h GLN 30 Ca 0.13 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.91 1cb1 h GLN 30 Cb 0.26 -0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.93 1cb1 h GLN 30 CO -0.29 0.04 -0.40 1.25 -0.67 0.00 0.00 178.83 178.77 1cb1 h LEU 31 N 0.07 -1.36 0.26 1.46 6.46 -0.04 0.65 115.31 122.80 1cb1 h LEU 31 Ca 0.09 0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 58.07 1cb1 h LEU 31 Cb 0.11 0.61 -0.02 0.00 -0.73 0.00 0.00 40.66 40.64 1cb1 h LEU 31 CO -0.15 -0.35 -0.32 0.40 -0.62 0.00 0.00 178.44 177.40 1cb1 h ILE 32 N -0.27 0.00 -0.94 4.05 1.08 -0.29 0.27 117.51 121.40 1cb1 h ILE 32 Ca 0.17 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.80 1cb1 h ILE 32 Cb 0.57 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.22 1cb1 h ILE 32 CO -0.61 0.00 0.55 0.06 -0.69 0.00 0.00 178.15 177.46 1cb1 h GLN 33 N -0.59 0.73 0.03 2.37 3.07 -0.48 -0.69 115.11 119.55 1cb1 h GLN 33 Ca -0.03 -0.04 -0.33 0.00 0.09 0.00 0.00 58.65 58.34 1cb1 h GLN 33 Cb 0.53 -0.16 -0.04 0.00 0.08 0.00 0.00 27.48 27.88 1cb1 h GLN 33 CO -0.07 0.48 -1.82 0.00 0.09 0.00 0.00 178.83 177.51 1cb1 n ALA 34 N -2.37 0.96 0.08 0.06 0.00 0.19 -4.17 120.51 115.26 1cb1 n ALA 34 Ca 0.20 -0.70 -0.21 0.00 0.00 0.00 0.00 53.44 52.73 1cb1 n ALA 34 Cb 0.48 -0.40 -0.12 0.00 0.00 0.00 0.00 19.45 19.41 1cb1 n ALA 34 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1cb1 h GLU 35 N -0.66 0.62 -0.25 0.00 4.81 -0.46 -3.43 114.58 115.21 1cb1 h GLU 35 Ca -0.47 -0.80 -0.27 0.00 -0.13 0.00 0.00 59.36 57.70 1cb1 h GLU 35 Cb 1.59 0.26 -0.18 0.00 0.63 0.00 0.00 28.75 31.05 1cb1 h GLU 35 CO -0.18 1.36 -0.54 1.97 -0.73 0.00 0.00 179.01 180.89 1cb1 n PHE 36 N -3.79 -2.57 -0.22 0.92 1.16 -0.36 -4.97 117.46 107.63 1cb1 n PHE 36 Ca -0.13 -2.28 -0.07 0.00 -1.87 0.00 0.00 57.45 53.10 1cb1 n PHE 36 Cb 0.97 1.37 0.03 0.00 -1.61 0.00 0.00 39.48 40.24 1cb1 n PHE 36 CO 0.00 0.00 0.00 -1.00 -1.87 0.00 0.00 176.76 173.89 1cb1 h PRO 37 N 3.17 0.91 -0.87 3.97 0.13 -1.47 -3.12 132.00 134.70 1cb1 h PRO 37 Ca -0.08 -0.15 0.23 0.00 -0.87 0.00 0.00 66.00 65.13 1cb1 h PRO 37 Cb 1.07 -0.16 -0.15 0.00 0.13 0.00 0.00 31.00 31.90 1cb1 h PRO 37 CO 0.20 0.75 0.18 0.66 -0.23 0.00 0.00 178.00 179.56 1cb1 h SER 38 N 0.86 -0.11 -0.47 1.44 4.64 -1.92 0.10 113.55 118.10 1cb1 h SER 38 Ca 0.21 0.21 0.04 0.00 -0.47 0.00 0.00 61.79 61.78 1cb1 h SER 38 Cb 0.15 0.31 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1cb1 h SER 38 CO -0.02 -0.19 0.31 -0.07 -0.87 0.00 0.00 176.83 175.99 1cb1 h LEU 39 N 0.16 0.42 -5.00 5.97 3.38 -1.95 -2.95 115.31 115.34 1cb1 h LEU 39 Ca 0.54 -0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.89 1cb1 h LEU 39 Cb 1.09 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1cb1 h LEU 39 CO -0.69 0.29 2.73 0.18 0.09 0.00 0.00 178.44 181.04 1cb1 n LEU 40 N -4.48 8.00 -3.30 1.67 4.77 0.36 -4.76 117.00 119.26 1cb1 n LEU 40 Ca 0.05 -4.32 -0.33 0.00 -0.03 0.00 0.00 56.01 51.38 1cb1 n LEU 40 Cb 0.17 -1.47 -0.02 0.00 -2.33 0.00 0.00 43.42 39.76 1cb1 n LEU 40 CO 0.35 2.00 2.90 2.29 -1.33 0.00 0.00 177.39 183.60 1cb1 n LYS 41 N 2.81 2.91 0.00 3.23 2.85 -1.12 -4.58 118.16 124.27 1cb1 n LYS 41 Ca 0.68 -1.91 0.00 0.00 -1.05 0.00 0.00 58.31 56.03 1cb1 n LYS 41 Cb 0.35 -2.70 0.00 0.00 -0.65 0.00 0.00 35.03 32.03 1cb1 n LYS 41 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1cb1 n GLY 42 N 3.73 4.46 2.71 2.58 0.00 -1.26 -4.99 105.19 112.42 1cb1 n GLY 42 Ca 0.62 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 1cb1 n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cb1 n PRO 43 N -1.87 2.40 -3.92 1.61 -0.04 -1.26 -4.90 135.00 127.02 1cb1 n PRO 43 Ca 0.00 -1.95 -0.35 0.00 -0.04 0.00 0.00 63.50 61.16 1cb1 n PRO 43 Cb 0.00 -2.83 -0.09 0.00 -0.04 0.00 0.00 33.50 30.54 1cb1 n PRO 43 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1cb1 s ARG 44 N 3.57 3.98 0.00 0.54 1.70 -1.26 -4.88 118.95 122.60 1cb1 s ARG 44 Ca 0.52 -0.29 0.00 0.00 -0.47 0.00 0.00 55.73 55.49 1cb1 s ARG 44 Cb 0.14 -3.27 0.00 0.00 -0.57 0.00 0.00 34.95 31.25 1cb1 s ARG 44 CO -0.01 0.33 0.00 2.41 -1.08 0.00 0.00 175.30 176.95 1cb1 n THR 45 N 3.37 0.00 0.00 4.99 -1.04 -1.26 -4.84 114.28 115.50 1cb1 n THR 45 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1cb1 n THR 45 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1cb1 n THR 45 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1cb1 n LEU 46 N 0.00 0.00 0.00 -4.42 0.00 -1.26 -0.84 117.00 110.48 1cb1 n LEU 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1cb1 n LEU 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1cb1 n LEU 46 CO 0.00 0.00 0.03 -0.67 0.00 0.00 0.00 177.39 176.75 1cb1 n ASP 47 N 0.00 0.12 -0.03 1.96 2.03 -1.26 -4.80 116.55 114.57 1cb1 n ASP 47 Ca 0.00 -0.45 -0.13 0.00 0.52 0.00 0.00 54.79 54.73 1cb1 n ASP 47 Cb 0.00 0.27 -0.09 0.00 -0.72 0.00 0.00 41.12 40.58 1cb1 n ASP 47 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1cb1 h ASP 48 N 0.00 -1.56 -0.33 1.67 3.58 -1.39 0.14 116.42 118.53 1cb1 h ASP 48 Ca 0.00 0.19 -0.10 0.00 0.42 0.00 0.00 57.03 57.54 1cb1 h ASP 48 Cb 0.09 0.62 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 1cb1 h ASP 48 CO 0.00 -0.42 -0.16 0.17 -2.88 0.00 0.00 179.24 175.96 1cb1 h LEU 49 N -0.48 0.79 -0.86 2.28 8.10 -1.91 -2.75 115.31 120.47 1cb1 h LEU 49 Ca 0.04 -0.26 0.17 0.00 0.11 0.00 0.00 57.88 57.94 1cb1 h LEU 49 Cb 0.59 -0.22 -0.10 0.00 -0.44 0.00 0.00 40.66 40.49 1cb1 h LEU 49 CO -0.42 0.95 0.42 -0.26 -4.11 0.00 0.00 178.44 175.03 1cb1 h PHE 50 N 0.71 0.73 -0.62 0.17 0.04 -1.70 0.25 116.94 116.51 1cb1 h PHE 50 Ca 0.11 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 1cb1 h PHE 50 Cb 0.66 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 1cb1 h PHE 50 CO 0.03 0.10 0.26 0.37 -0.60 0.00 0.00 178.31 178.47 1cb1 h GLN 51 N 0.55 0.90 -0.34 1.51 5.75 -0.44 -2.24 115.11 120.79 1cb1 h GLN 51 Ca 0.50 -0.14 -0.14 0.00 -0.15 0.00 0.00 58.65 58.72 1cb1 h GLN 51 Cb 0.79 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.17 1cb1 h GLN 51 CO -0.42 0.73 -0.33 0.93 -2.65 0.00 0.00 178.83 177.09 1cb1 h GLU 52 N 0.89 0.77 -1.01 1.69 5.08 -0.55 -3.06 114.58 118.39 1cb1 h GLU 52 Ca 0.21 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1cb1 h GLU 52 Cb 0.16 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1cb1 h GLU 52 CO -0.02 0.99 0.00 1.28 -1.00 0.00 0.00 179.01 180.26 1cb1 n LEU 53 N -4.07 1.67 -4.57 1.33 4.77 0.19 -4.79 117.00 111.54 1cb1 n LEU 53 Ca -0.01 -0.84 -0.43 0.00 -0.03 0.00 0.00 56.01 54.70 1cb1 n LEU 53 Cb 0.50 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1cb1 n LEU 53 CO 0.46 0.31 1.85 1.51 -1.33 0.00 0.00 177.39 180.19 1cb1 s ASP 54 N 0.44 6.79 0.02 -1.43 -4.77 -1.16 -3.93 116.67 112.63 1cb1 s ASP 54 Ca 0.00 -2.29 -0.04 0.00 -3.30 0.00 0.00 52.55 46.92 1cb1 s ASP 54 Cb 0.00 -2.57 -0.01 0.00 -1.09 0.00 0.00 42.92 39.25 1cb1 s ASP 54 CO 0.00 -1.21 0.29 1.17 0.70 0.00 0.00 175.17 176.12 1cb1 n LYS 55 N 8.33 -0.06 -1.02 2.11 0.00 0.12 -0.04 118.16 127.61 1cb1 n LYS 55 Ca 0.45 0.29 -0.22 0.00 0.00 0.00 0.00 58.31 58.83 1cb1 n LYS 55 Cb 0.47 -0.42 0.11 0.00 0.00 0.00 0.00 35.03 35.19 1cb1 n LYS 55 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1cb1 n ASN 56 N -3.38 4.86 -3.78 3.14 5.15 -1.26 -4.89 115.26 115.09 1cb1 n ASN 56 Ca 0.00 -3.33 -0.26 0.00 -0.60 0.00 0.00 54.58 50.39 1cb1 n ASN 56 Cb 0.03 -0.85 0.04 0.00 -0.53 0.00 0.00 39.78 38.47 1cb1 n ASN 56 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cb1 n GLY 57 N -0.64 -0.43 0.00 8.20 0.00 0.94 -4.87 105.19 108.40 1cb1 n GLY 57 Ca 0.47 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1cb1 n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cb1 n ASP 58 N -2.94 0.00 -2.37 1.61 2.03 -1.25 -5.07 116.55 108.55 1cb1 n ASP 58 Ca -0.08 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.20 1cb1 n ASP 58 Cb 0.58 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.01 1cb1 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cb1 n GLY 59 N 0.90 -0.22 3.21 0.27 0.00 -1.26 -4.90 105.19 103.19 1cb1 n GLY 59 Ca 0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1cb1 n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cb1 s GLU 60 N 0.06 2.57 -0.40 1.61 2.02 -1.26 -1.14 118.70 122.14 1cb1 s GLU 60 Ca 0.05 -1.18 -0.12 0.00 0.02 0.00 0.00 54.97 53.75 1cb1 s GLU 60 Cb 0.13 -3.23 0.05 0.00 0.10 0.00 0.00 34.13 31.18 1cb1 s GLU 60 CO -0.03 -0.59 0.26 0.08 0.02 0.00 0.00 175.26 174.99 1cb1 s VAL 61 N 1.31 4.65 0.66 2.63 1.01 -0.02 0.13 120.40 130.76 1cb1 s VAL 61 Ca -0.03 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 1cb1 s VAL 61 Cb -0.19 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1cb1 s VAL 61 CO -0.00 -0.36 1.05 -0.94 0.00 0.00 0.00 175.10 174.84 1cb1 s SER 62 N 1.85 5.65 0.24 3.32 1.04 -1.26 -0.95 113.70 123.58 1cb1 s SER 62 Ca 0.03 1.60 -0.07 0.00 0.48 0.00 0.00 55.95 57.99 1cb1 s SER 62 Cb -0.21 -2.50 0.42 0.00 0.10 0.00 0.00 66.02 63.83 1cb1 s SER 62 CO 0.06 -1.26 1.68 0.15 0.98 0.00 0.00 173.24 174.84 1cb1 h PHE 63 N -0.43 0.18 -0.38 5.02 3.04 -1.17 0.26 116.94 123.46 1cb1 h PHE 63 Ca -0.44 0.04 0.11 0.00 3.98 0.00 0.00 57.97 61.66 1cb1 h PHE 63 Cb 1.21 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.73 1cb1 h PHE 63 CO 0.62 -0.11 0.39 0.93 -2.02 0.00 0.00 178.31 178.13 1cb1 h GLU 64 N 0.22 0.00 0.01 1.11 3.07 -1.93 -2.14 114.58 114.93 1cb1 h GLU 64 Ca 0.39 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 58.85 1cb1 h GLU 64 Cb 0.66 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.51 1cb1 h GLU 64 CO -0.52 0.00 -2.22 0.39 -1.40 0.00 0.00 179.01 175.26 1cb1 n GLU 65 N -3.81 0.60 -0.34 2.33 1.02 0.33 -4.48 120.64 116.28 1cb1 n GLU 65 Ca 0.07 0.32 0.26 0.00 -0.02 0.00 0.00 57.16 57.79 1cb1 n GLU 65 Cb 0.56 -1.56 0.51 0.00 -0.02 0.00 0.00 31.44 30.93 1cb1 n GLU 65 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1cb1 h PHE 66 N -0.84 0.89 -1.36 -0.32 3.57 -0.20 -0.00 116.94 118.68 1cb1 h PHE 66 Ca -0.60 0.04 0.39 0.00 3.53 0.00 0.00 57.97 61.33 1cb1 h PHE 66 Cb 1.60 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 40.05 1cb1 h PHE 66 CO -0.03 -0.22 1.01 -0.56 -2.23 0.00 0.00 178.31 176.28 1cb1 h GLN 67 N 0.26 0.00 -0.86 1.11 -0.00 -1.62 0.30 115.11 114.30 1cb1 h GLN 67 Ca 0.76 0.00 0.07 0.00 -0.00 0.00 0.00 58.65 59.47 1cb1 h GLN 67 Cb 1.82 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 29.23 1cb1 h GLN 67 CO -0.61 0.00 0.53 0.28 -0.00 0.00 0.00 178.83 179.02 1cb1 h VAL 68 N 0.00 1.02 -0.12 1.86 2.07 -1.29 0.25 116.25 120.04 1cb1 h VAL 68 Ca 0.64 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.81 1cb1 h VAL 68 Cb 2.65 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1cb1 h VAL 68 CO -0.01 0.17 -0.03 0.25 0.02 0.00 0.00 177.57 177.97 1cb1 h LEU 69 N 0.95 0.23 -0.99 2.57 5.85 -0.61 -2.98 115.31 120.33 1cb1 h LEU 69 Ca 0.38 -0.38 0.10 0.00 0.84 0.00 0.00 57.88 58.83 1cb1 h LEU 69 Cb 0.20 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 1cb1 h LEU 69 CO -0.19 0.55 0.62 0.58 -0.34 0.00 0.00 178.44 179.67 1cb1 h VAL 70 N -0.10 0.96 0.37 1.05 2.07 -1.15 0.15 116.25 119.60 1cb1 h VAL 70 Ca 0.03 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1cb1 h VAL 70 Cb 0.45 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1cb1 h VAL 70 CO 0.01 0.19 -0.38 0.50 0.02 0.00 0.00 177.57 177.91 1cb1 h LYS 71 N 1.02 -0.71 -0.22 1.57 3.11 -0.39 0.16 116.57 121.11 1cb1 h LYS 71 Ca 0.47 0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 58.35 1cb1 h LYS 71 Cb 0.39 0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 1cb1 h LYS 71 CO -0.24 -0.48 0.08 1.57 -2.81 0.00 0.00 179.45 177.57 1cb1 h LYS 72 N -0.74 0.33 -0.31 1.90 2.10 -1.38 -2.63 116.57 115.84 1cb1 h LYS 72 Ca -0.05 -0.06 0.03 0.00 -2.00 0.00 0.00 60.65 58.58 1cb1 h LYS 72 Cb 0.65 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.91 1cb1 h LYS 72 CO -0.05 0.39 0.21 -0.84 -2.00 0.00 0.00 179.45 177.16 1cb1 h ILE 73 N 0.19 0.99 0.00 0.07 -0.00 -0.95 -0.58 117.51 117.24 1cb1 h ILE 73 Ca 0.07 -0.10 0.00 0.00 -0.00 0.00 0.00 64.86 64.84 1cb1 h ILE 73 Cb 0.19 0.69 0.00 0.00 -0.00 0.00 0.00 36.82 37.70 1cb1 h ILE 73 CO -0.00 0.05 0.00 -1.20 -0.00 0.00 0.00 178.15 177.00 1cb1 n SER 74 N -4.49 1.30 0.00 2.16 7.64 0.56 -4.89 113.62 115.89 1cb1 n SER 74 Ca 0.03 -1.65 0.00 0.00 1.01 0.00 0.00 58.87 58.26 1cb1 n SER 74 Cb 0.18 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1cb1 n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03