#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 0.00 -2.50 -0.43 0.00 -1.26 -4.53 120.51 111.79 1cb1 n ALA -1 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1cb1 n ALA -1 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1cb1 n ALA -1 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1cb1 s GLN 0 N 0.00 3.65 0.19 0.00 2.00 -1.26 -4.50 119.66 119.74 1cb1 s GLN 0 Ca 0.00 -1.56 0.00 0.00 -2.00 0.00 0.00 55.36 51.80 1cb1 s GLN 0 Cb 0.00 -5.43 0.00 0.00 0.80 0.00 0.00 33.01 28.38 1cb1 s GLN 0 CO 0.00 -2.47 0.00 1.63 -0.50 0.00 0.00 175.29 173.95 1cb1 n LYS 1 N 8.56 -3.24 -4.07 1.67 4.01 -1.26 -4.82 118.16 119.01 1cb1 n LYS 1 Ca 0.43 2.39 -0.09 0.00 -0.51 0.00 0.00 58.31 60.53 1cb1 n LYS 1 Cb 0.48 -2.53 -0.09 0.00 -0.51 0.00 0.00 35.03 32.37 1cb1 n LYS 1 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1cb1 s SER 2 N -1.15 0.29 0.19 4.39 0.01 -1.26 0.31 113.70 116.49 1cb1 s SER 2 Ca 0.00 -1.04 -0.23 0.00 1.31 0.00 0.00 55.95 55.99 1cb1 s SER 2 Cb 0.00 0.30 0.10 0.00 0.21 0.00 0.00 66.02 66.63 1cb1 s SER 2 CO 0.00 -0.72 1.56 -0.65 0.41 0.00 0.00 173.24 173.84 1cb1 h PRO 3 N 2.88 -0.10 -0.53 12.44 0.11 -1.93 -2.06 132.00 142.81 1cb1 h PRO 3 Ca -0.34 0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.88 1cb1 h PRO 3 Cb 1.19 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 1cb1 h PRO 3 CO 0.59 -0.07 0.05 0.00 -0.21 0.00 0.00 178.00 178.36 1cb1 h ALA 4 N 0.91 0.56 0.33 -0.75 0.00 -1.98 0.31 119.26 118.64 1cb1 h ALA 4 Ca 0.24 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1cb1 h ALA 4 Cb 0.55 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1cb1 h ALA 4 CO -0.83 -0.36 -0.16 0.93 0.00 0.00 0.00 179.25 178.83 1cb1 h GLU 5 N 0.17 -0.43 -0.91 0.00 3.07 -1.85 0.14 114.58 114.76 1cb1 h GLU 5 Ca 0.27 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.19 1cb1 h GLU 5 Cb 0.41 0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.37 1cb1 h GLU 5 CO -0.41 -0.28 0.60 -0.07 -1.40 0.00 0.00 179.01 177.45 1cb1 h LEU 6 N -0.46 1.00 -0.35 1.33 3.38 -0.78 -0.08 115.31 119.35 1cb1 h LEU 6 Ca -0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1cb1 h LEU 6 Cb 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1cb1 h LEU 6 CO 0.08 0.69 0.11 0.50 0.09 0.00 0.00 178.44 179.91 1cb1 h LYS 7 N 1.16 0.55 0.03 1.13 3.64 -0.15 0.76 116.57 123.69 1cb1 h LYS 7 Ca 0.36 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1cb1 h LYS 7 Cb -0.02 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1cb1 h LYS 7 CO -0.10 0.57 -0.01 0.77 -2.27 0.00 0.00 179.45 178.41 1cb1 h SER 8 N 0.41 -0.03 -0.23 4.20 0.02 0.12 0.13 113.55 118.17 1cb1 h SER 8 Ca 0.11 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1cb1 h SER 8 Cb 0.26 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1cb1 h SER 8 CO -0.00 0.04 -0.04 0.40 -1.14 0.00 0.00 176.83 176.09 1cb1 h ILE 9 N -0.10 0.79 0.09 3.27 2.04 -0.92 0.36 117.51 123.04 1cb1 h ILE 9 Ca -0.00 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1cb1 h ILE 9 Cb 0.09 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1cb1 h ILE 9 CO 0.01 0.00 -0.33 0.15 0.00 0.00 0.00 178.15 177.98 1cb1 h PHE 10 N 0.02 -0.90 -0.58 1.37 3.04 -0.64 -2.64 116.94 116.61 1cb1 h PHE 10 Ca 0.11 0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.17 1cb1 h PHE 10 Cb 0.16 0.38 -0.07 0.00 2.56 0.00 0.00 35.95 38.99 1cb1 h PHE 10 CO -0.22 -0.43 0.23 0.93 -2.02 0.00 0.00 178.31 176.79 1cb1 h GLU 11 N -0.54 0.40 -0.77 1.11 5.08 -0.31 0.82 114.58 120.37 1cb1 h GLU 11 Ca 0.04 -0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.52 1cb1 h GLU 11 Cb 0.58 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 1cb1 h GLU 11 CO -0.21 0.27 0.31 -0.22 -1.00 0.00 0.00 179.01 178.16 1cb1 h LYS 12 N 0.41 0.44 0.01 2.33 1.63 -0.58 0.13 116.57 120.94 1cb1 h LYS 12 Ca 0.29 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.06 1cb1 h LYS 12 Cb 0.33 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1cb1 h LYS 12 CO -0.28 0.29 -0.01 1.88 -3.45 0.00 0.00 179.45 177.88 1cb1 h TYR 13 N 0.45 -0.02 -0.79 1.91 0.05 -1.14 -3.35 116.97 114.09 1cb1 h TYR 13 Ca 0.43 -0.00 0.19 0.00 0.05 0.00 0.00 58.73 59.40 1cb1 h TYR 13 Cb 0.66 0.01 -0.13 0.00 1.01 0.00 0.00 36.73 38.28 1cb1 h TYR 13 CO -0.16 0.74 0.13 0.00 -1.05 0.00 0.00 178.16 177.82 1cb1 h ALA 14 N -0.14 0.99 -0.96 3.88 0.00 -0.55 0.11 119.26 122.59 1cb1 h ALA 14 Ca -0.00 0.21 0.21 0.00 0.00 0.00 0.00 54.91 55.33 1cb1 h ALA 14 Cb 0.76 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 1cb1 h ALA 14 CO 0.00 -0.41 0.62 0.00 0.00 0.00 0.00 179.25 179.46 1cb1 h ALA 15 N 1.70 2.07 0.00 0.00 0.00 -0.88 0.14 119.26 122.29 1cb1 h ALA 15 Ca 0.46 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1cb1 h ALA 15 Cb 0.84 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1cb1 h ALA 15 CO -0.61 -0.40 -0.02 0.87 0.00 0.00 0.00 179.25 179.09 1cb1 h LYS 16 N 0.50 0.00 0.00 0.00 1.57 -0.90 0.36 116.57 118.10 1cb1 h LYS 16 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1cb1 h LYS 16 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1cb1 h LYS 16 CO -0.25 0.02 0.00 0.39 -0.57 0.00 0.00 179.45 179.04 1cb1 n GLU 17 N -4.08 0.15 0.00 3.15 1.02 0.04 -4.92 120.64 116.00 1cb1 n GLU 17 Ca -0.03 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1cb1 n GLU 17 Cb 0.10 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 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 1.31 2.90 3.30 0.62 0.00 0.11 -4.99 105.19 108.44 1cb1 n GLY 18 Ca 0.06 -0.53 -0.45 0.00 0.00 0.00 0.00 46.02 45.10 1cb1 n GLY 18 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1cb1 s ASP 19 N 0.30 6.30 -0.39 1.61 -4.77 -1.26 -4.92 116.67 113.54 1cb1 s ASP 19 Ca 0.00 -2.14 -0.06 0.00 -3.30 0.00 0.00 52.55 47.05 1cb1 s ASP 19 Cb 0.00 -2.18 -0.17 0.00 -1.09 0.00 0.00 42.92 39.49 1cb1 s ASP 19 CO 0.00 -0.73 2.80 -0.81 0.70 0.00 0.00 175.17 177.13 1cb1 n PRO 20 N 4.72 1.95 0.00 2.11 -0.04 -1.26 -3.53 135.00 138.96 1cb1 n PRO 20 Ca -0.03 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1cb1 n PRO 20 Cb 0.42 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1cb1 n PRO 20 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1cb1 n ASN 21 N 3.01 0.00 -3.54 3.54 6.94 -1.26 -4.81 115.26 119.14 1cb1 n ASN 21 Ca 0.42 -1.00 -0.11 0.00 -0.02 0.00 0.00 54.58 53.87 1cb1 n ASN 21 Cb 0.55 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.93 1cb1 n ASN 21 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1cb1 s GLN 22 N 0.00 1.16 -0.05 -3.83 -0.21 -1.23 -0.77 119.66 114.73 1cb1 s GLN 22 Ca 0.00 -0.58 0.03 0.00 0.02 0.00 0.00 55.36 54.82 1cb1 s GLN 22 Cb 0.00 0.52 0.01 0.00 1.00 0.00 0.00 33.01 34.54 1cb1 s GLN 22 CO 0.00 -0.48 -0.11 -0.48 -2.12 0.00 0.00 175.29 172.10 1cb1 s LEU 23 N -2.74 1.70 0.89 2.90 0.05 -0.49 -4.13 118.68 116.85 1cb1 s LEU 23 Ca 0.02 -0.26 -0.13 0.00 0.05 0.00 0.00 54.13 53.81 1cb1 s LEU 23 Cb 0.00 -0.73 0.13 0.00 -2.05 0.00 0.00 46.19 43.54 1cb1 s LEU 23 CO -0.12 0.05 1.17 -0.44 -0.55 0.00 0.00 176.35 176.47 1cb1 s SER 24 N 0.45 3.77 0.31 1.48 0.01 -1.26 -0.56 113.70 117.90 1cb1 s SER 24 Ca -0.09 0.80 0.07 0.00 1.31 0.00 0.00 55.95 58.04 1cb1 s SER 24 Cb -0.13 -1.27 0.85 0.00 0.21 0.00 0.00 66.02 65.68 1cb1 s SER 24 CO 0.02 -2.37 1.66 0.11 0.41 0.00 0.00 173.24 173.07 1cb1 h LYS 25 N -1.37 0.26 -0.41 12.44 1.57 -1.87 0.20 116.57 127.39 1cb1 h LYS 25 Ca -0.48 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1cb1 h LYS 25 Cb 1.32 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 1cb1 h LYS 25 CO 0.60 0.17 0.22 0.93 -0.57 0.00 0.00 179.45 180.80 1cb1 h GLU 26 N 0.27 0.57 -0.14 3.15 3.07 -1.98 0.93 114.58 120.45 1cb1 h GLU 26 Ca 0.62 -0.07 -0.21 0.00 -0.50 0.00 0.00 59.36 59.20 1cb1 h GLU 26 Cb 1.31 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1cb1 h GLU 26 CO -0.63 0.47 -0.75 0.93 -1.40 0.00 0.00 179.01 177.63 1cb1 h GLU 27 N 0.52 0.68 0.23 2.33 4.39 -1.32 -0.53 114.58 120.89 1cb1 h GLU 27 Ca 0.14 -0.55 -0.00 0.00 0.34 0.00 0.00 59.36 59.30 1cb1 h GLU 27 Cb 0.07 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1cb1 h GLU 27 CO -0.02 1.16 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.72 1cb1 h LEU 28 N 0.47 -0.51 -0.34 1.33 3.38 -0.56 0.21 115.31 119.28 1cb1 h LEU 28 Ca -0.04 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1cb1 h LEU 28 Cb 1.36 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 42.20 1cb1 h LEU 28 CO 0.15 -0.30 -0.24 0.50 0.09 0.00 0.00 178.44 178.64 1cb1 h LYS 29 N -0.45 -0.19 -0.52 1.13 1.63 -0.72 0.37 116.57 117.83 1cb1 h LYS 29 Ca -0.01 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.86 1cb1 h LYS 29 Cb 0.40 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.02 1cb1 h LYS 29 CO -0.02 -0.12 0.23 -0.56 -3.45 0.00 0.00 179.45 175.52 1cb1 h GLN 30 N -0.19 0.44 -0.23 1.90 3.07 -0.68 0.18 115.11 119.59 1cb1 h GLN 30 Ca 0.17 -0.03 0.06 0.00 0.09 0.00 0.00 58.65 58.94 1cb1 h GLN 30 Cb 0.46 -0.10 -0.07 0.00 0.08 0.00 0.00 27.48 27.85 1cb1 h GLN 30 CO -0.45 0.29 -0.28 1.25 0.09 0.00 0.00 178.83 179.72 1cb1 h LEU 31 N 0.45 -0.90 -0.18 0.06 6.46 0.41 0.12 115.31 121.73 1cb1 h LEU 31 Ca 0.24 0.15 0.01 0.00 -0.12 0.00 0.00 57.88 58.16 1cb1 h LEU 31 Cb 0.20 0.41 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 1cb1 h LEU 31 CO -0.20 -0.31 0.09 0.40 -0.62 0.00 0.00 178.44 177.80 1cb1 h ILE 32 N -0.30 1.00 -0.29 4.05 1.08 -0.33 -0.56 117.51 122.16 1cb1 h ILE 32 Ca 0.13 -0.07 -0.04 0.00 -0.39 0.00 0.00 64.86 64.49 1cb1 h ILE 32 Cb 0.50 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 1cb1 h ILE 32 CO -0.40 0.04 0.02 0.06 -0.69 0.00 0.00 178.15 177.17 1cb1 h GLN 33 N 0.20 0.43 -0.09 2.37 3.07 -0.36 0.18 115.11 120.90 1cb1 h GLN 33 Ca 0.07 -0.08 -0.08 0.00 0.09 0.00 0.00 58.65 58.66 1cb1 h GLN 33 Cb 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.50 1cb1 h GLN 33 CO -0.05 0.44 -0.25 0.00 0.09 0.00 0.00 178.83 179.07 1cb1 h ALA 34 N 1.61 0.15 0.00 0.06 0.00 -0.33 -3.39 119.26 117.36 1cb1 h ALA 34 Ca 0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1cb1 h ALA 34 Cb 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1cb1 h ALA 34 CO 0.00 0.14 -0.09 0.93 0.00 0.00 0.00 179.25 180.23 1cb1 h GLU 35 N -0.15 0.00 0.00 0.00 5.08 -0.76 -3.47 114.58 115.28 1cb1 h GLU 35 Ca -0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 1cb1 h GLU 35 Cb 0.86 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.97 1cb1 h GLU 35 CO 0.05 0.50 -0.42 1.97 -1.00 0.00 0.00 179.01 180.11 1cb1 n PHE 36 N -4.68 -2.88 0.16 4.33 1.16 0.59 -4.98 117.46 111.16 1cb1 n PHE 36 Ca -0.06 -1.69 0.09 0.00 -1.87 0.00 0.00 57.45 53.92 1cb1 n PHE 36 Cb 0.26 1.52 0.61 0.00 -1.61 0.00 0.00 39.48 40.26 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 3.66 0.10 -0.34 3.97 0.13 -1.70 -1.39 132.00 136.43 1cb1 h PRO 37 Ca -0.15 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.02 1cb1 h PRO 37 Cb 1.07 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 1cb1 h PRO 37 CO 0.23 0.07 0.23 0.66 -0.23 0.00 0.00 178.00 178.96 1cb1 h SER 38 N 0.11 0.20 0.00 1.44 4.64 -1.94 -3.10 113.55 114.91 1cb1 h SER 38 Ca 0.07 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1cb1 h SER 38 Cb 0.17 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1cb1 h SER 38 CO -0.01 0.14 -0.05 -0.07 -0.87 0.00 0.00 176.83 175.97 1cb1 h LEU 39 N 0.24 0.00 -5.65 5.97 3.38 -1.66 -3.40 115.31 114.18 1cb1 h LEU 39 Ca 0.15 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.45 1cb1 h LEU 39 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1cb1 h LEU 39 CO -0.03 0.09 3.30 0.18 0.09 0.00 0.00 178.44 182.07 1cb1 n LEU 40 N -2.52 7.20 -4.55 1.67 4.77 -1.12 -4.89 117.00 117.56 1cb1 n LEU 40 Ca -0.01 -4.04 -0.33 0.00 -0.03 0.00 0.00 56.01 51.59 1cb1 n LEU 40 Cb 0.03 -1.55 -0.04 0.00 -2.33 0.00 0.00 43.42 39.53 1cb1 n LEU 40 CO 0.01 1.30 1.46 -0.54 -1.33 0.00 0.00 177.39 178.29 1cb1 s LYS 41 N 3.00 2.67 0.00 3.23 1.02 -1.17 -4.41 119.74 124.07 1cb1 s LYS 41 Ca 0.55 0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.62 1cb1 s LYS 41 Cb 0.15 -4.73 0.00 0.00 -0.52 0.00 0.00 37.83 32.73 1cb1 s LYS 41 CO -0.06 -2.97 0.00 0.41 -0.92 0.00 0.00 175.35 171.81 1cb1 n GLY 42 N 6.26 0.55 0.47 -3.33 0.00 -1.26 -0.70 105.19 107.18 1cb1 n GLY 42 Ca 0.29 0.61 0.36 0.00 0.00 0.00 0.00 46.02 47.28 1cb1 n GLY 42 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1cb1 h PRO 43 N 0.00 0.10 -3.93 1.61 0.11 -2.00 0.47 132.00 128.36 1cb1 h PRO 43 Ca 0.00 -0.01 -0.65 0.00 0.11 0.00 0.00 66.00 65.46 1cb1 h PRO 43 Cb 0.00 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.09 1cb1 h PRO 43 CO 0.00 0.07 2.92 0.54 -0.21 0.00 0.00 178.00 181.32 1cb1 n ARG 44 N -4.68 2.46 -3.86 1.05 1.74 0.13 -4.60 116.66 108.90 1cb1 n ARG 44 Ca 0.36 -2.16 -0.28 0.00 -0.77 0.00 0.00 57.85 55.00 1cb1 n ARG 44 Cb 1.40 -3.00 0.01 0.00 -1.02 0.00 0.00 32.46 29.85 1cb1 n ARG 44 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1cb1 n THR 45 N 5.05 -1.76 0.49 0.55 -1.04 -1.12 -4.03 114.28 112.42 1cb1 n THR 45 Ca 0.54 -0.31 0.13 0.00 -2.04 0.00 0.00 64.05 62.37 1cb1 n THR 45 Cb 0.34 -1.51 0.37 0.00 -1.82 0.00 0.00 70.33 67.71 1cb1 n THR 45 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1cb1 h LEU 46 N -0.50 0.00 0.00 -4.42 6.46 -1.11 -3.42 115.31 112.32 1cb1 h LEU 46 Ca -0.46 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.30 1cb1 h LEU 46 Cb 0.91 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.84 1cb1 h LEU 46 CO 0.32 0.00 0.00 -0.67 -0.62 0.00 0.00 178.44 177.47 1cb1 n ASP 47 N -2.51 0.00 -0.26 1.25 2.03 -1.26 -4.85 116.55 110.95 1cb1 n ASP 47 Ca 0.05 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.32 1cb1 n ASP 47 Cb 0.43 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.85 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 -1.21 1.00 1.67 3.58 -1.90 0.20 116.42 119.76 1cb1 h ASP 48 Ca 0.00 0.25 -0.20 0.00 0.42 0.00 0.00 57.03 57.50 1cb1 h ASP 48 Cb 0.00 0.62 -0.03 0.00 1.72 0.00 0.00 39.33 41.64 1cb1 h ASP 48 CO 0.00 -0.30 -0.97 0.17 -2.88 0.00 0.00 179.24 175.26 1cb1 h LEU 49 N -0.11 0.00 -0.82 2.28 8.10 -1.94 -3.23 115.31 119.59 1cb1 h LEU 49 Ca 0.27 0.00 0.09 0.00 0.11 0.00 0.00 57.88 58.35 1cb1 h LEU 49 Cb 0.57 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.71 1cb1 h LEU 49 CO -0.78 0.97 0.47 -0.26 -4.11 0.00 0.00 178.44 174.73 1cb1 h PHE 50 N 0.00 0.85 -0.54 0.17 -1.00 -1.50 0.15 116.94 115.07 1cb1 h PHE 50 Ca -0.01 0.03 0.13 0.00 2.81 0.00 0.00 57.97 60.93 1cb1 h PHE 50 Cb 1.73 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 41.00 1cb1 h PHE 50 CO 0.00 0.36 0.38 0.37 -1.61 0.00 0.00 178.31 177.81 1cb1 h GLN 51 N 0.80 0.14 0.04 1.51 5.75 -0.68 0.26 115.11 122.92 1cb1 h GLN 51 Ca 0.39 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.76 1cb1 h GLN 51 Cb 0.34 -0.03 0.01 0.00 1.07 0.00 0.00 27.48 28.87 1cb1 h GLN 51 CO -0.24 0.09 -0.50 0.93 -2.65 0.00 0.00 178.83 176.46 1cb1 h GLU 52 N 0.14 0.27 -0.18 1.69 5.08 -0.87 -3.23 114.58 117.48 1cb1 h GLU 52 Ca 0.26 -0.34 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1cb1 h GLU 52 Cb 0.83 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1cb1 h GLU 52 CO -0.03 1.08 0.13 -0.07 -1.00 0.00 0.00 179.01 179.11 1cb1 h LEU 53 N -0.38 0.00 -0.52 1.33 3.38 -0.11 -3.21 115.31 115.80 1cb1 h LEU 53 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1cb1 h LEU 53 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1cb1 h LEU 53 CO 0.10 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.96 1cb1 n ASP 54 N -4.48 0.00 0.00 -0.43 -0.08 0.78 -4.37 116.55 107.97 1cb1 n ASP 54 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1cb1 n ASP 54 Cb 0.26 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.72 1cb1 n ASP 54 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1cb1 n LYS 55 N 0.02 0.00 -0.05 -0.67 3.00 -1.21 -1.22 118.16 118.02 1cb1 n LYS 55 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 1cb1 n LYS 55 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 1cb1 n LYS 55 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1cb1 n ASN 56 N 0.03 0.96 0.00 3.14 0.23 -1.26 -5.04 115.26 113.32 1cb1 n ASN 56 Ca 0.00 0.21 0.00 0.00 -0.53 0.00 0.00 54.58 54.26 1cb1 n ASN 56 Cb 0.00 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1cb1 n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cb1 n GLY 57 N 1.76 1.59 0.06 4.83 0.00 -0.36 -4.99 105.19 108.09 1cb1 n GLY 57 Ca -0.27 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.87 1cb1 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cb1 n ASP 58 N 0.00 0.40 0.00 1.61 5.75 -1.26 -4.84 116.55 118.21 1cb1 n ASP 58 Ca 0.00 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.35 1cb1 n ASP 58 Cb 0.00 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.42 1cb1 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cb1 n GLY 59 N 0.67 0.36 2.74 6.12 0.00 -1.26 -4.81 105.19 109.00 1cb1 n GLY 59 Ca 0.04 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 1cb1 n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cb1 n GLU 60 N 0.00 0.88 -2.65 1.61 1.02 -1.26 -4.16 120.64 116.08 1cb1 n GLU 60 Ca 0.00 -1.79 -0.42 0.00 -0.02 0.00 0.00 57.16 54.93 1cb1 n GLU 60 Cb 0.00 -1.17 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 1cb1 n GLU 60 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1cb1 s VAL 61 N 0.44 4.04 0.58 2.62 1.01 0.28 -3.92 120.40 125.44 1cb1 s VAL 61 Ca 0.26 -0.49 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 1cb1 s VAL 61 Cb 0.26 -4.93 -0.04 0.00 0.00 0.00 0.00 36.38 31.68 1cb1 s VAL 61 CO -0.14 -1.79 1.13 -0.94 0.00 0.00 0.00 175.10 173.36 1cb1 s SER 62 N 4.24 5.51 0.22 3.32 1.04 -1.26 -1.40 113.70 125.37 1cb1 s SER 62 Ca 0.38 2.13 -0.15 0.00 0.48 0.00 0.00 55.95 58.79 1cb1 s SER 62 Cb -0.05 -2.57 0.24 0.00 0.10 0.00 0.00 66.02 63.73 1cb1 s SER 62 CO 0.00 -1.36 1.60 0.15 0.98 0.00 0.00 173.24 174.61 1cb1 h PHE 63 N 0.83 -0.56 0.00 5.02 3.57 -1.33 0.26 116.94 124.73 1cb1 h PHE 63 Ca -0.49 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1cb1 h PHE 63 Cb 1.26 0.35 0.00 0.00 2.79 0.00 0.00 35.95 40.35 1cb1 h PHE 63 CO 0.52 -0.33 0.08 1.05 -2.23 0.00 0.00 178.31 177.40 1cb1 h GLU 64 N -0.05 0.00 0.00 1.11 9.09 -1.93 -0.33 114.58 122.47 1cb1 h GLU 64 Ca 0.31 0.00 -0.36 0.00 0.05 0.00 0.00 59.36 59.36 1cb1 h GLU 64 Cb 0.54 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.58 1cb1 h GLU 64 CO -0.73 0.00 -2.08 0.39 0.05 0.00 0.00 179.01 176.63 1cb1 n GLU 65 N -2.97 0.58 -0.32 1.06 -0.58 0.19 -4.45 120.64 114.13 1cb1 n GLU 65 Ca -0.03 0.33 0.23 0.00 -0.42 0.00 0.00 57.16 57.28 1cb1 n GLU 65 Cb 0.14 -1.54 0.46 0.00 -0.57 0.00 0.00 31.44 29.93 1cb1 n GLU 65 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1cb1 h PHE 66 N -1.00 0.71 -1.36 -0.32 3.57 -0.13 -0.51 116.94 117.90 1cb1 h PHE 66 Ca -0.55 0.04 0.41 0.00 3.53 0.00 0.00 57.97 61.40 1cb1 h PHE 66 Cb 1.46 -0.15 -0.09 0.00 2.79 0.00 0.00 35.95 39.97 1cb1 h PHE 66 CO -0.09 -0.29 0.93 -0.56 -2.23 0.00 0.00 178.31 176.08 1cb1 h GLN 67 N 0.19 0.10 -0.83 1.11 3.07 -1.29 0.25 115.11 117.71 1cb1 h GLN 67 Ca 0.72 -0.01 0.12 0.00 0.09 0.00 0.00 58.65 59.57 1cb1 h GLN 67 Cb 1.69 -0.02 -0.08 0.00 0.08 0.00 0.00 27.48 29.15 1cb1 h GLN 67 CO -0.69 0.07 0.45 0.28 0.09 0.00 0.00 178.83 179.03 1cb1 h VAL 68 N 0.10 0.83 0.23 1.86 2.07 -1.38 0.86 116.25 120.82 1cb1 h VAL 68 Ca 0.73 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 68.00 1cb1 h VAL 68 Cb 2.53 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1cb1 h VAL 68 CO -0.20 0.13 -0.11 -0.07 0.02 0.00 0.00 177.57 177.34 1cb1 h LEU 69 N 0.71 -0.26 -0.75 2.57 3.38 -0.71 -3.26 115.31 116.99 1cb1 h LEU 69 Ca 0.43 -0.27 0.13 0.00 0.09 0.00 0.00 57.88 58.26 1cb1 h LEU 69 Cb 0.49 0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.18 1cb1 h LEU 69 CO -0.30 0.19 -0.30 0.58 0.09 0.00 0.00 178.44 178.70 1cb1 h VAL 70 N -0.79 0.14 -0.71 1.22 2.07 -1.10 0.67 116.25 117.76 1cb1 h VAL 70 Ca -0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.63 1cb1 h VAL 70 Cb 0.51 0.14 -0.10 0.00 -1.52 0.00 0.00 31.29 30.33 1cb1 h VAL 70 CO 0.05 0.00 0.23 0.11 0.02 0.00 0.00 177.57 177.98 1cb1 h LYS 71 N -0.07 0.35 0.16 1.57 1.79 -0.95 0.51 116.57 119.93 1cb1 h LYS 71 Ca 0.31 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.75 1cb1 h LYS 71 Cb 0.57 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1cb1 h LYS 71 CO -0.80 0.23 -0.08 0.87 -1.08 0.00 0.00 179.45 178.60 1cb1 h LYS 72 N 0.36 -0.21 -0.53 3.15 1.57 -0.98 -2.04 116.57 117.89 1cb1 h LYS 72 Ca 0.39 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.28 1cb1 h LYS 72 Cb 0.60 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.88 1cb1 h LYS 72 CO -0.42 0.17 0.05 0.82 -0.57 0.00 0.00 179.45 179.49 1cb1 h ILE 73 N -0.64 0.63 -0.07 1.86 1.08 -0.48 -0.54 117.51 119.35 1cb1 h ILE 73 Ca -0.02 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1cb1 h ILE 73 Cb 0.47 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 1cb1 h ILE 73 CO 0.04 0.03 0.00 -1.54 -0.69 0.00 0.00 178.15 175.99 1cb1 n SER 74 N -5.19 0.62 0.00 1.72 3.41 0.11 -4.75 113.62 109.54 1cb1 n SER 74 Ca 0.06 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 1cb1 n SER 74 Cb 0.28 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1cb1 n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88