#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 1.09 0.40 -0.43 0.00 -1.26 -4.89 120.51 115.41 1cb1 n ALA -1 Ca 0.00 0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.64 1cb1 n ALA -1 Cb 0.00 -2.43 -0.07 0.00 0.00 0.00 0.00 19.45 16.94 1cb1 n ALA -1 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1cb1 h GLN 0 N 7.73 -0.98 -6.40 0.00 1.08 -2.03 -3.39 115.11 111.11 1cb1 h GLN 0 Ca -0.47 0.07 -0.53 0.00 -1.45 0.00 0.00 58.65 56.27 1cb1 h GLN 0 Cb 1.26 0.22 0.02 0.00 -0.05 0.00 0.00 27.48 28.94 1cb1 h GLN 0 CO 0.92 -0.65 1.13 0.15 -0.95 0.00 0.00 178.83 179.42 1cb1 s LYS 1 N -5.04 4.16 0.04 1.46 -0.14 -1.26 -4.94 119.74 114.02 1cb1 s LYS 1 Ca -0.15 2.47 -0.11 0.00 -1.36 0.00 0.00 55.97 56.83 1cb1 s LYS 1 Cb 0.01 -3.87 0.01 0.00 -1.68 0.00 0.00 37.83 32.31 1cb1 s LYS 1 CO 0.45 -0.86 0.24 -1.54 -0.76 0.00 0.00 175.35 172.87 1cb1 s SER 2 N 3.38 -0.03 0.17 2.83 1.04 -1.26 -4.79 113.70 115.05 1cb1 s SER 2 Ca 0.81 -0.30 -0.27 0.00 0.48 0.00 0.00 55.95 56.67 1cb1 s SER 2 Cb -0.41 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.03 1cb1 s SER 2 CO 0.36 -0.58 1.55 -0.65 0.98 0.00 0.00 173.24 174.90 1cb1 h PRO 3 N 3.36 -0.15 -0.56 4.02 0.11 -1.85 -0.09 132.00 136.84 1cb1 h PRO 3 Ca -0.32 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.91 1cb1 h PRO 3 Cb 1.19 0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 1cb1 h PRO 3 CO 0.47 -0.10 0.03 0.00 -0.21 0.00 0.00 178.00 178.19 1cb1 h ALA 4 N 0.58 0.57 0.35 -0.75 0.00 -1.98 0.27 119.26 118.30 1cb1 h ALA 4 Ca 0.18 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1cb1 h ALA 4 Cb 0.53 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1cb1 h ALA 4 CO -0.79 -0.37 -0.17 1.49 0.00 0.00 0.00 179.25 179.41 1cb1 h GLU 5 N 0.15 -0.45 -0.92 0.00 4.81 -1.72 0.66 114.58 117.10 1cb1 h GLU 5 Ca 0.29 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.62 1cb1 h GLU 5 Cb 0.44 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 1cb1 h GLU 5 CO -0.45 -0.25 0.60 -0.07 -0.73 0.00 0.00 179.01 178.11 1cb1 h LEU 6 N -0.55 0.92 -0.15 1.64 3.38 -0.38 -0.05 115.31 120.13 1cb1 h LEU 6 Ca -0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1cb1 h LEU 6 Cb 0.41 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1cb1 h LEU 6 CO 0.08 0.58 0.01 0.50 0.09 0.00 0.00 178.44 179.70 1cb1 h LYS 7 N 1.04 0.25 -0.02 1.13 3.11 -0.25 0.16 116.57 121.98 1cb1 h LYS 7 Ca 0.40 -0.07 0.02 0.00 -2.81 0.00 0.00 60.65 58.19 1cb1 h LYS 7 Cb 0.23 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.41 1cb1 h LYS 7 CO -0.16 0.45 -0.07 0.77 -2.81 0.00 0.00 179.45 177.63 1cb1 h SER 8 N 0.01 -0.21 -0.29 4.20 0.02 -0.01 0.72 113.55 117.99 1cb1 h SER 8 Ca 0.04 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1cb1 h SER 8 Cb 0.33 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1cb1 h SER 8 CO 0.00 -0.10 0.18 0.40 -1.14 0.00 0.00 176.83 176.17 1cb1 h ILE 9 N -0.12 1.05 -0.25 3.27 2.04 -0.98 -0.29 117.51 122.24 1cb1 h ILE 9 Ca 0.04 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1cb1 h ILE 9 Cb 0.16 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 1cb1 h ILE 9 CO -0.09 0.07 -0.24 0.15 0.00 0.00 0.00 178.15 178.04 1cb1 h PHE 10 N 0.36 -0.64 -0.26 1.37 3.04 -0.29 -0.11 116.94 120.41 1cb1 h PHE 10 Ca 0.11 0.04 0.03 0.00 3.98 0.00 0.00 57.97 62.13 1cb1 h PHE 10 Cb -0.02 0.32 -0.03 0.00 2.56 0.00 0.00 35.95 38.78 1cb1 h PHE 10 CO -0.07 -0.32 0.07 0.93 -2.02 0.00 0.00 178.31 176.91 1cb1 h GLU 11 N -0.24 0.18 -0.92 1.11 5.08 -0.49 0.20 114.58 119.50 1cb1 h GLU 11 Ca 0.14 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.63 1cb1 h GLU 11 Cb 0.46 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.58 1cb1 h GLU 11 CO -0.39 0.12 0.53 -0.22 -1.00 0.00 0.00 179.01 178.04 1cb1 h LYS 12 N 0.18 0.76 0.18 2.33 1.63 -0.16 0.13 116.57 121.62 1cb1 h LYS 12 Ca 0.12 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1cb1 h LYS 12 Cb 0.10 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1cb1 h LYS 12 CO -0.14 0.50 -0.09 1.88 -3.45 0.00 0.00 179.45 178.16 1cb1 h TYR 13 N 0.78 -0.22 -1.02 1.91 -1.99 -0.47 -3.31 116.97 112.65 1cb1 h TYR 13 Ca 0.48 -0.01 0.26 0.00 2.00 0.00 0.00 58.73 61.47 1cb1 h TYR 13 Cb 0.61 0.07 -0.08 0.00 2.00 0.00 0.00 36.73 39.33 1cb1 h TYR 13 CO -0.05 0.17 0.67 0.00 -0.00 0.00 0.00 178.16 178.95 1cb1 h ALA 14 N -0.48 2.37 -0.07 3.88 0.00 -0.26 0.12 119.26 124.82 1cb1 h ALA 14 Ca -0.02 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1cb1 h ALA 14 Cb 0.49 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1cb1 h ALA 14 CO 0.04 -0.73 0.11 0.00 0.00 0.00 0.00 179.25 178.67 1cb1 h ALA 15 N 1.59 1.48 -0.56 0.00 0.00 -0.85 -2.70 119.26 118.22 1cb1 h ALA 15 Ca 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1cb1 h ALA 15 Cb 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1cb1 h ALA 15 CO -0.22 -0.14 0.00 1.63 0.00 0.00 0.00 179.25 180.52 1cb1 n LYS 16 N -3.55 0.00 -4.20 0.00 5.02 0.43 -4.70 118.16 111.17 1cb1 n LYS 16 Ca -0.01 0.41 -0.24 0.00 -2.02 0.00 0.00 58.31 56.45 1cb1 n LYS 16 Cb 0.20 -0.92 -0.07 0.00 -0.02 0.00 0.00 35.03 34.21 1cb1 n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1cb1 s GLU 17 N -0.88 2.25 0.00 1.97 0.41 -1.24 -4.82 118.70 116.39 1cb1 s GLU 17 Ca 0.00 -1.64 0.00 0.00 -0.41 0.00 0.00 54.97 52.92 1cb1 s GLU 17 Cb 0.00 -2.07 0.00 0.00 -1.78 0.00 0.00 34.13 30.28 1cb1 s GLU 17 CO 0.00 0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.29 1cb1 n GLY 18 N -1.08 1.91 0.00 -1.39 0.00 -1.26 -4.65 105.19 98.72 1cb1 n GLY 18 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1cb1 n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cb1 n ASP 19 N 3.87 0.00 0.26 1.61 -0.08 -1.23 -4.99 116.55 115.99 1cb1 n ASP 19 Ca 0.00 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.37 1cb1 n ASP 19 Cb 0.00 0.00 0.33 0.00 2.34 0.00 0.00 41.12 43.79 1cb1 n ASP 19 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1cb1 h PRO 20 N 0.00 0.00 -0.00 -0.67 0.13 -1.74 0.10 132.00 129.82 1cb1 h PRO 20 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1cb1 h PRO 20 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1cb1 h PRO 20 CO 0.00 0.00 -0.34 -1.71 -0.23 0.00 0.00 178.00 175.72 1cb1 n ASN 21 N -2.76 0.82 -4.13 1.44 2.85 -1.26 -4.47 115.26 107.75 1cb1 n ASN 21 Ca 0.02 -0.65 -0.10 0.00 -0.11 0.00 0.00 54.58 53.73 1cb1 n ASN 21 Cb 0.85 0.17 -0.10 0.00 1.24 0.00 0.00 39.78 41.94 1cb1 n ASN 21 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1cb1 s GLN 22 N -2.68 0.73 -0.21 1.20 -0.21 0.36 0.01 119.66 118.86 1cb1 s GLN 22 Ca 0.20 -1.20 -0.05 0.00 0.02 0.00 0.00 55.36 54.33 1cb1 s GLN 22 Cb 0.19 -0.15 -0.02 0.00 1.00 0.00 0.00 33.01 34.03 1cb1 s GLN 22 CO 0.58 -0.02 -0.00 -0.51 -2.12 0.00 0.00 175.29 173.22 1cb1 s LEU 23 N -2.73 3.17 0.63 2.90 1.43 -0.07 -4.05 118.68 119.96 1cb1 s LEU 23 Ca 0.07 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.75 1cb1 s LEU 23 Cb 0.03 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1cb1 s LEU 23 CO -0.05 0.03 1.10 -0.44 0.23 0.00 0.00 176.35 177.22 1cb1 s SER 24 N 1.22 5.36 0.28 2.29 0.01 -1.26 -1.10 113.70 120.49 1cb1 s SER 24 Ca 0.03 1.99 -0.02 0.00 1.31 0.00 0.00 55.95 59.26 1cb1 s SER 24 Cb -0.15 -2.55 0.61 0.00 0.21 0.00 0.00 66.02 64.14 1cb1 s SER 24 CO 0.01 -1.46 1.63 0.11 0.41 0.00 0.00 173.24 173.93 1cb1 h LYS 25 N 0.31 0.12 -0.86 12.44 1.57 -1.81 0.32 116.57 128.65 1cb1 h LYS 25 Ca -0.47 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.39 1cb1 h LYS 25 Cb 1.24 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.45 1cb1 h LYS 25 CO 0.55 0.08 0.51 0.93 -0.57 0.00 0.00 179.45 180.95 1cb1 h GLU 26 N 0.12 0.84 -0.04 3.15 3.07 -1.93 -0.37 114.58 119.43 1cb1 h GLU 26 Ca 0.51 -0.05 -0.17 0.00 -0.50 0.00 0.00 59.36 59.15 1cb1 h GLU 26 Cb 0.98 -0.19 0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1cb1 h GLU 26 CO -0.72 0.56 -0.62 0.93 -1.40 0.00 0.00 179.01 177.76 1cb1 h GLU 27 N 0.87 0.49 0.28 2.33 5.08 -0.83 -3.14 114.58 119.65 1cb1 h GLU 27 Ca 0.41 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1cb1 h GLU 27 Cb 0.34 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1cb1 h GLU 27 CO -0.23 1.12 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.39 1cb1 h LEU 28 N 0.04 -1.22 -0.75 1.33 3.38 -0.40 0.74 115.31 118.43 1cb1 h LEU 28 Ca -0.07 0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.16 1cb1 h LEU 28 Cb 1.30 0.43 -0.09 0.00 0.09 0.00 0.00 40.66 42.39 1cb1 h LEU 28 CO 0.12 -0.54 0.29 0.50 0.09 0.00 0.00 178.44 178.90 1cb1 h LYS 29 N -0.77 0.42 0.51 1.13 3.11 -1.19 -0.37 116.57 119.41 1cb1 h LYS 29 Ca -0.01 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.78 1cb1 h LYS 29 Cb 0.73 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.86 1cb1 h LYS 29 CO -0.15 0.28 -0.34 1.96 -2.81 0.00 0.00 179.45 178.38 1cb1 h GLN 30 N 0.43 -0.79 -0.79 1.90 4.20 -1.39 -0.04 115.11 118.64 1cb1 h GLN 30 Ca 0.41 0.05 0.10 0.00 0.06 0.00 0.00 58.65 59.27 1cb1 h GLN 30 Cb 0.62 0.18 -0.12 0.00 0.30 0.00 0.00 27.48 28.46 1cb1 h GLN 30 CO -0.40 -0.53 -0.50 1.25 -0.67 0.00 0.00 178.83 177.98 1cb1 h LEU 31 N -0.82 -1.77 0.25 1.46 5.85 0.42 0.17 115.31 120.88 1cb1 h LEU 31 Ca -0.06 0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1cb1 h LEU 31 Cb 0.68 0.81 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 1cb1 h LEU 31 CO 0.04 -0.30 -0.20 0.40 -0.34 0.00 0.00 178.44 178.04 1cb1 h ILE 32 N -0.13 0.00 -0.82 4.05 1.08 -0.92 0.18 117.51 120.96 1cb1 h ILE 32 Ca 0.19 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.74 1cb1 h ILE 32 Cb 0.52 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.21 1cb1 h ILE 32 CO -0.83 0.00 0.49 1.56 -0.69 0.00 0.00 178.15 178.68 1cb1 h GLN 33 N -0.44 0.83 0.02 2.37 1.08 -0.81 0.19 115.11 118.36 1cb1 h GLN 33 Ca -0.03 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1cb1 h GLN 33 Cb 0.37 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1cb1 h GLN 33 CO 0.00 0.55 -0.01 0.00 -0.95 0.00 0.00 178.83 178.42 1cb1 h ALA 34 N 1.42 -0.03 0.00 3.87 0.00 -0.65 -3.39 119.26 120.48 1cb1 h ALA 34 Ca 0.37 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1cb1 h ALA 34 Cb 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1cb1 h ALA 34 CO -0.20 -0.11 -2.03 0.39 0.00 0.00 0.00 179.25 177.29 1cb1 n GLU 35 N -4.73 0.68 -2.75 0.00 1.02 0.05 -4.86 120.64 110.05 1cb1 n GLU 35 Ca -0.09 -0.15 -0.08 0.00 -0.02 0.00 0.00 57.16 56.82 1cb1 n GLU 35 Cb 0.36 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.35 1cb1 n GLU 35 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1cb1 n PHE 36 N -2.33 -3.25 0.23 -0.32 -1.74 0.51 -4.97 117.46 105.60 1cb1 n PHE 36 Ca -0.10 -1.81 0.15 0.00 -0.56 0.00 0.00 57.45 55.13 1cb1 n PHE 36 Cb 0.67 1.58 0.77 0.00 1.52 0.00 0.00 39.48 44.02 1cb1 n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.56 0.00 0.00 176.76 175.20 1cb1 h PRO 37 N 3.81 0.00 -5.63 3.97 0.13 -1.29 -3.43 132.00 129.55 1cb1 h PRO 37 Ca -0.14 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.61 1cb1 h PRO 37 Cb 1.04 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.94 1cb1 h PRO 37 CO 0.29 0.00 -0.55 0.43 -0.23 0.00 0.00 178.00 177.94 1cb1 n SER 38 N -2.52 -1.18 -4.30 1.44 7.64 -1.26 -1.30 113.62 112.14 1cb1 n SER 38 Ca -0.02 -0.72 -0.34 0.00 1.01 0.00 0.00 58.87 58.81 1cb1 n SER 38 Cb 0.07 -1.04 -0.07 0.00 -1.01 0.00 0.00 64.21 62.15 1cb1 n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1cb1 n LEU 39 N -2.79 -1.25 -3.68 -3.43 4.77 -1.26 -4.78 117.00 104.59 1cb1 n LEU 39 Ca 0.07 -1.19 -0.42 0.00 -0.03 0.00 0.00 56.01 54.44 1cb1 n LEU 39 Cb 0.31 -1.77 -0.07 0.00 -2.33 0.00 0.00 43.42 39.56 1cb1 n LEU 39 CO 0.59 0.35 1.98 0.18 -1.33 0.00 0.00 177.39 179.16 1cb1 n LEU 40 N -4.40 3.59 0.00 2.23 4.77 -0.42 -4.89 117.00 117.88 1cb1 n LEU 40 Ca -0.16 -2.72 -0.13 0.00 -0.03 0.00 0.00 56.01 52.96 1cb1 n LEU 40 Cb 0.61 -1.08 0.08 0.00 -2.33 0.00 0.00 43.42 40.70 1cb1 n LEU 40 CO 0.86 -0.70 0.35 2.29 -1.33 0.00 0.00 177.39 178.86 1cb1 n LYS 41 N 7.23 -0.05 0.00 3.23 2.85 -1.26 -4.10 118.16 126.05 1cb1 n LYS 41 Ca 0.49 -1.33 0.00 0.00 -1.05 0.00 0.00 58.31 56.42 1cb1 n LYS 41 Cb 0.41 -0.47 0.00 0.00 -0.65 0.00 0.00 35.03 34.32 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 0.78 2.73 2.85 2.58 0.00 -1.26 -3.61 105.19 109.25 1cb1 n GLY 42 Ca 0.09 0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 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 6.75 2.23 -0.38 1.61 -0.04 -1.26 -4.84 135.00 139.08 1cb1 n PRO 43 Ca 0.00 -2.11 -0.33 0.00 -0.04 0.00 0.00 63.50 61.02 1cb1 n PRO 43 Cb 0.00 -2.99 -0.09 0.00 -0.04 0.00 0.00 33.50 30.38 1cb1 n PRO 43 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1cb1 n ARG 44 N 6.10 0.00 -2.47 0.54 0.63 -1.24 -4.83 116.66 115.39 1cb1 n ARG 44 Ca 0.52 -0.86 -0.40 0.00 -0.92 0.00 0.00 57.85 56.19 1cb1 n ARG 44 Cb 0.36 -2.35 -0.02 0.00 0.45 0.00 0.00 32.46 30.90 1cb1 n ARG 44 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1cb1 s THR 45 N 6.44 3.98 -1.69 5.15 2.01 -1.26 -4.61 115.64 125.66 1cb1 s THR 45 Ca 0.51 -1.61 0.26 0.00 0.31 0.00 0.00 61.69 61.16 1cb1 s THR 45 Cb 0.11 -5.04 0.26 0.00 0.01 0.00 0.00 72.50 67.83 1cb1 s THR 45 CO 0.26 -1.80 1.57 0.18 -0.69 0.00 0.00 174.62 174.14 1cb1 n LEU 46 N 9.74 0.95 0.00 4.42 4.77 -1.26 -4.72 117.00 130.89 1cb1 n LEU 46 Ca 0.47 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1cb1 n LEU 46 Cb 0.46 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1cb1 n LEU 46 CO 0.74 0.18 0.00 -0.67 -1.33 0.00 0.00 177.39 176.31 1cb1 n ASP 47 N -0.74 0.00 -0.05 -1.43 2.03 -1.26 -4.61 116.55 110.49 1cb1 n ASP 47 Ca 0.12 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.30 1cb1 n ASP 47 Cb 0.34 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.66 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 -1.55 0.56 1.67 3.58 -1.89 0.20 116.42 118.99 1cb1 h ASP 48 Ca 0.00 0.19 -0.11 0.00 0.42 0.00 0.00 57.03 57.53 1cb1 h ASP 48 Cb 0.00 0.62 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 1cb1 h ASP 48 CO 0.00 -0.39 -0.53 0.17 -2.88 0.00 0.00 179.24 175.61 1cb1 h LEU 49 N -0.44 0.00 -0.72 2.28 8.10 -1.96 -2.86 115.31 119.71 1cb1 h LEU 49 Ca 0.04 0.00 0.05 0.00 0.11 0.00 0.00 57.88 58.08 1cb1 h LEU 49 Cb 0.56 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.73 1cb1 h LEU 49 CO -0.44 0.53 0.43 -0.26 -4.11 0.00 0.00 178.44 174.59 1cb1 h PHE 50 N 0.00 0.80 -0.78 0.17 -1.00 -1.64 0.17 116.94 114.66 1cb1 h PHE 50 Ca -0.01 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1cb1 h PHE 50 Cb 0.95 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 40.21 1cb1 h PHE 50 CO 0.00 0.42 0.46 0.37 -1.61 0.00 0.00 178.31 177.96 1cb1 h GLN 51 N 0.82 1.07 -0.74 1.51 5.75 -0.42 -1.84 115.11 121.26 1cb1 h GLN 51 Ca 0.30 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 1cb1 h GLN 51 Cb 0.10 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.40 1cb1 h GLN 51 CO -0.15 0.77 0.42 1.49 -2.65 0.00 0.00 178.83 178.71 1cb1 h GLU 52 N 1.08 1.03 -0.30 1.69 4.81 -0.96 -1.76 114.58 120.17 1cb1 h GLU 52 Ca 0.28 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1cb1 h GLU 52 Cb -0.02 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.16 1cb1 h GLU 52 CO -0.05 0.76 0.00 1.28 -0.73 0.00 0.00 179.01 180.27 1cb1 n LEU 53 N -4.47 0.30 -4.45 1.64 4.77 0.44 -4.75 117.00 110.48 1cb1 n LEU 53 Ca 0.07 -0.15 -0.43 0.00 -0.03 0.00 0.00 56.01 55.46 1cb1 n LEU 53 Cb 0.08 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 1cb1 n LEU 53 CO 0.38 0.07 0.66 -0.62 -1.33 0.00 0.00 177.39 176.55 1cb1 s ASP 54 N -0.85 6.20 0.10 -1.43 -1.08 -0.66 -4.28 116.67 114.66 1cb1 s ASP 54 Ca 0.00 -0.97 -0.03 0.00 -0.52 0.00 0.00 52.55 51.03 1cb1 s ASP 54 Cb 0.00 -2.39 0.16 0.00 -1.46 0.00 0.00 42.92 39.23 1cb1 s ASP 54 CO 0.00 -1.32 0.55 1.17 0.52 0.00 0.00 175.17 176.10 1cb1 n LYS 55 N 7.32 -0.03 -1.49 4.34 4.81 -1.26 -0.53 118.16 131.31 1cb1 n LYS 55 Ca -0.04 0.55 -0.05 0.00 -0.87 0.00 0.00 58.31 57.90 1cb1 n LYS 55 Cb 0.45 -0.83 0.10 0.00 0.02 0.00 0.00 35.03 34.77 1cb1 n LYS 55 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1cb1 n ASN 56 N -4.58 2.67 -4.40 3.14 5.03 -1.26 -5.01 115.26 110.86 1cb1 n ASN 56 Ca 0.06 -3.33 -0.37 0.00 0.87 0.00 0.00 54.58 51.81 1cb1 n ASN 56 Cb 0.18 -0.43 -0.08 0.00 -1.02 0.00 0.00 39.78 38.43 1cb1 n ASN 56 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cb1 n GLY 57 N -0.68 -0.27 1.29 7.41 0.00 0.30 -4.79 105.19 108.45 1cb1 n GLY 57 Ca 0.24 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.68 0.00 -2.72 1.61 5.68 -1.26 -5.06 116.55 112.11 1cb1 n ASP 58 Ca -0.10 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.11 1cb1 n ASP 58 Cb 0.57 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.63 1cb1 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cb1 n GLY 59 N 2.04 -0.06 3.47 6.12 0.00 -1.26 -4.91 105.19 110.58 1cb1 n GLY 59 Ca 0.00 0.25 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 0.39 1.32 -0.30 1.61 2.02 -1.26 -4.21 118.70 118.26 1cb1 s GLU 60 Ca 0.26 -1.03 -0.02 0.00 0.02 0.00 0.00 54.97 54.19 1cb1 s GLU 60 Cb 0.26 0.46 0.19 0.00 0.10 0.00 0.00 34.13 35.14 1cb1 s GLU 60 CO -0.14 -0.53 0.82 0.08 0.02 0.00 0.00 175.26 175.50 1cb1 s VAL 61 N -3.93 -0.63 0.63 2.63 1.01 -0.26 -4.01 120.40 115.84 1cb1 s VAL 61 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.96 1cb1 s VAL 61 Cb 0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1cb1 s VAL 61 CO -0.00 0.00 1.10 -0.94 0.00 0.00 0.00 175.10 175.26 1cb1 s SER 62 N 2.76 5.33 0.19 3.32 1.04 -1.26 -0.89 113.70 124.20 1cb1 s SER 62 Ca 0.18 1.96 -0.18 0.00 0.48 0.00 0.00 55.95 58.40 1cb1 s SER 62 Cb -0.05 -2.55 0.16 0.00 0.10 0.00 0.00 66.02 63.68 1cb1 s SER 62 CO -0.23 -1.48 1.61 0.15 0.98 0.00 0.00 173.24 174.27 1cb1 h PHE 63 N 0.22 -0.66 -1.00 5.02 3.57 -0.81 0.19 116.94 123.47 1cb1 h PHE 63 Ca -0.47 0.06 0.23 0.00 3.53 0.00 0.00 57.97 61.33 1cb1 h PHE 63 Cb 1.24 0.38 -0.09 0.00 2.79 0.00 0.00 35.95 40.27 1cb1 h PHE 63 CO 0.55 -0.34 0.64 1.05 -2.23 0.00 0.00 178.31 177.98 1cb1 h GLU 64 N -0.11 0.48 0.00 1.11 9.09 -1.92 -0.89 114.58 122.34 1cb1 h GLU 64 Ca 0.25 -0.03 -0.00 0.00 0.05 0.00 0.00 59.36 59.64 1cb1 h GLU 64 Cb 0.51 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 1cb1 h GLU 64 CO -0.64 0.32 -0.00 0.93 0.05 0.00 0.00 179.01 179.66 1cb1 h GLU 65 N 0.49 -0.01 -1.12 1.06 5.08 -1.20 -3.33 114.58 115.56 1cb1 h GLU 65 Ca 0.57 0.00 0.35 0.00 -1.00 0.00 0.00 59.36 59.28 1cb1 h GLU 65 Cb 1.28 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.40 1cb1 h GLU 65 CO -0.30 0.86 0.69 0.35 -1.00 0.00 0.00 179.01 179.61 1cb1 h PHE 66 N -0.91 0.72 -0.94 4.33 3.57 0.49 0.10 116.94 124.29 1cb1 h PHE 66 Ca -0.00 0.03 0.28 0.00 3.53 0.00 0.00 57.97 61.81 1cb1 h PHE 66 Cb 0.87 -0.19 -0.16 0.00 2.79 0.00 0.00 35.95 39.25 1cb1 h PHE 66 CO 0.23 -0.14 0.23 1.96 -2.23 0.00 0.00 178.31 178.37 1cb1 h GLN 67 N 0.25 0.11 -0.73 1.11 4.20 -1.33 0.31 115.11 119.03 1cb1 h GLN 67 Ca 0.73 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.49 1cb1 h GLN 67 Cb 1.97 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.68 1cb1 h GLN 67 CO -0.47 0.07 0.48 0.28 -0.67 0.00 0.00 178.83 178.53 1cb1 h VAL 68 N 0.11 1.07 0.34 -0.54 2.07 -1.20 -0.28 116.25 117.82 1cb1 h VAL 68 Ca 0.63 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.84 1cb1 h VAL 68 Cb 1.37 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1cb1 h VAL 68 CO -0.76 0.15 -0.16 0.25 0.02 0.00 0.00 177.57 177.07 1cb1 h LEU 69 N 0.84 -0.39 -0.98 2.57 6.46 -0.60 -3.31 115.31 119.90 1cb1 h LEU 69 Ca 0.30 -0.05 0.33 0.00 -0.12 0.00 0.00 57.88 58.35 1cb1 h LEU 69 Cb 0.15 0.10 -0.17 0.00 -0.73 0.00 0.00 40.66 40.01 1cb1 h LEU 69 CO -0.09 0.07 0.38 0.58 -0.62 0.00 0.00 178.44 178.76 1cb1 h VAL 70 N -1.09 0.13 -1.18 1.05 2.07 -0.80 0.03 116.25 116.46 1cb1 h VAL 70 Ca -0.05 -0.04 0.34 0.00 0.82 0.00 0.00 66.70 67.77 1cb1 h VAL 70 Cb 0.41 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.09 1cb1 h VAL 70 CO 0.08 0.02 0.78 0.11 0.02 0.00 0.00 177.57 178.58 1cb1 h LYS 71 N 0.12 0.22 0.00 1.57 1.79 -1.15 0.45 116.57 119.57 1cb1 h LYS 71 Ca 0.72 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 59.15 1cb1 h LYS 71 Cb 1.69 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.29 1cb1 h LYS 71 CO -0.74 0.14 -0.20 0.87 -1.08 0.00 0.00 179.45 178.44 1cb1 h LYS 72 N 0.22 0.00 0.00 3.15 6.56 -1.18 -3.36 116.57 121.97 1cb1 h LYS 72 Ca 0.68 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 60.24 1cb1 h LYS 72 Cb 2.03 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.69 1cb1 h LYS 72 CO -0.29 0.11 -0.20 0.82 -2.06 0.00 0.00 179.45 177.83 1cb1 h ILE 73 N 0.00 0.94 -2.13 1.86 1.08 -0.24 -3.50 117.51 115.51 1cb1 h ILE 73 Ca -0.00 -1.76 0.19 0.00 -0.39 0.00 0.00 64.86 62.89 1cb1 h ILE 73 Cb 1.09 1.83 -0.11 0.00 -3.07 0.00 0.00 36.82 36.55 1cb1 h ILE 73 CO 0.01 0.32 0.56 -0.55 -0.69 0.00 0.00 178.15 177.80 1cb1 s SER 74 N -6.03 -0.20 0.00 1.72 0.15 -0.37 -4.97 113.70 103.99 1cb1 s SER 74 Ca -0.13 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1cb1 s SER 74 Cb -0.00 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1cb1 s SER 74 CO 0.41 -0.70 0.00 0.00 1.20 0.00 0.00 173.24 174.15