#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 -1.72 -0.43 0.00 -1.26 -4.97 120.51 112.13 1cb1 n ALA -1 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1cb1 n ALA -1 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 2.63 4.12 -0.01 0.00 0.74 -1.26 -5.00 119.66 120.88 1cb1 s GLN 0 Ca 0.00 2.62 -0.05 0.00 0.05 0.00 0.00 55.36 57.98 1cb1 s GLN 0 Cb 0.00 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 31.01 1cb1 s GLN 0 CO 0.00 -0.76 0.10 0.15 -0.55 0.00 0.00 175.29 174.23 1cb1 s LYS 1 N 1.26 0.34 -0.12 1.67 -0.14 -1.26 -5.03 119.74 116.45 1cb1 s LYS 1 Ca 0.75 -0.24 -0.30 0.00 -1.36 0.00 0.00 55.97 54.82 1cb1 s LYS 1 Cb -0.50 0.14 0.12 0.00 -1.68 0.00 0.00 37.83 35.91 1cb1 s LYS 1 CO 0.32 -0.07 0.97 -1.12 -0.76 0.00 0.00 175.35 174.70 1cb1 s SER 2 N -0.90 -0.36 0.02 2.83 0.01 -1.26 -5.03 113.70 109.00 1cb1 s SER 2 Ca -0.10 0.30 -0.05 0.00 1.31 0.00 0.00 55.95 57.41 1cb1 s SER 2 Cb -0.06 0.32 -0.02 0.00 0.21 0.00 0.00 66.02 66.47 1cb1 s SER 2 CO 0.01 -0.41 1.08 -0.65 0.41 0.00 0.00 173.24 173.68 1cb1 h PRO 3 N 2.41 -0.10 -0.71 12.44 0.11 -2.02 -0.22 132.00 143.92 1cb1 h PRO 3 Ca -0.19 0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.08 1cb1 h PRO 3 Cb 1.18 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1cb1 h PRO 3 CO 0.31 -0.06 0.48 0.00 -0.21 0.00 0.00 178.00 178.51 1cb1 h ALA 4 N -1.34 2.24 0.60 -0.75 0.00 -1.99 0.79 119.26 118.81 1cb1 h ALA 4 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1cb1 h ALA 4 Cb 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1cb1 h ALA 4 CO -0.05 -0.43 -0.29 1.49 0.00 0.00 0.00 179.25 179.97 1cb1 h GLU 5 N 0.30 -0.77 -0.50 0.00 4.81 -1.89 0.11 114.58 116.63 1cb1 h GLU 5 Ca 0.34 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.62 1cb1 h GLU 5 Cb 0.93 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1cb1 h GLU 5 CO -0.09 -0.51 0.28 1.37 -0.73 0.00 0.00 179.01 179.33 1cb1 h LEU 6 N -1.02 0.61 0.73 1.64 8.10 -0.63 -0.81 115.31 123.93 1cb1 h LEU 6 Ca -0.08 -0.04 -0.03 0.00 0.11 0.00 0.00 57.88 57.84 1cb1 h LEU 6 Cb 0.61 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 40.68 1cb1 h LEU 6 CO 0.13 0.49 -0.39 0.11 -4.11 0.00 0.00 178.44 174.68 1cb1 h LYS 7 N 0.70 -0.99 -0.23 0.17 1.57 -0.85 0.12 116.57 117.04 1cb1 h LYS 7 Ca 0.18 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.08 1cb1 h LYS 7 Cb 0.02 0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 1cb1 h LYS 7 CO -0.03 -0.66 -0.09 0.77 -0.57 0.00 0.00 179.45 178.87 1cb1 h SER 8 N -1.03 -0.30 0.34 0.86 0.02 -0.29 0.11 113.55 113.26 1cb1 h SER 8 Ca -0.10 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1cb1 h SER 8 Cb 0.81 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1cb1 h SER 8 CO 0.14 -0.11 -0.24 0.40 -1.14 0.00 0.00 176.83 175.87 1cb1 h ILE 9 N -0.05 0.49 -0.08 3.27 2.04 -1.08 0.13 117.51 122.23 1cb1 h ILE 9 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 1cb1 h ILE 9 Cb 0.23 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 1cb1 h ILE 9 CO -0.27 0.00 -0.31 0.15 0.00 0.00 0.00 178.15 177.72 1cb1 h PHE 10 N -0.58 -0.86 -0.35 1.37 3.04 -0.50 -1.06 116.94 118.01 1cb1 h PHE 10 Ca -0.03 0.03 0.03 0.00 3.98 0.00 0.00 57.97 61.98 1cb1 h PHE 10 Cb 0.50 0.39 -0.03 0.00 2.56 0.00 0.00 35.95 39.37 1cb1 h PHE 10 CO -0.12 -0.40 0.17 0.93 -2.02 0.00 0.00 178.31 176.87 1cb1 h GLU 11 N -0.41 0.34 -0.94 1.11 5.08 -0.66 0.15 114.58 119.24 1cb1 h GLU 11 Ca 0.08 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1cb1 h GLU 11 Cb 0.54 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 1cb1 h GLU 11 CO -0.32 0.22 0.59 -0.22 -1.00 0.00 0.00 179.01 178.28 1cb1 h LYS 12 N 0.35 0.96 0.37 2.33 1.63 -0.25 0.21 116.57 122.17 1cb1 h LYS 12 Ca 0.15 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.87 1cb1 h LYS 12 Cb 0.07 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.48 1cb1 h LYS 12 CO -0.11 0.64 -0.18 1.88 -3.45 0.00 0.00 179.45 178.23 1cb1 h TYR 13 N 0.99 -0.46 -0.92 1.91 -1.99 -0.58 -3.33 116.97 112.59 1cb1 h TYR 13 Ca 0.44 -0.01 0.20 0.00 2.00 0.00 0.00 58.73 61.36 1cb1 h TYR 13 Cb 0.34 0.15 -0.07 0.00 2.00 0.00 0.00 36.73 39.15 1cb1 h TYR 13 CO -0.02 -0.29 0.60 0.00 -0.00 0.00 0.00 178.16 178.45 1cb1 h ALA 14 N -1.22 2.11 -0.72 3.88 0.00 -0.57 -0.35 119.26 122.39 1cb1 h ALA 14 Ca -0.05 0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.08 1cb1 h ALA 14 Cb 0.38 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1cb1 h ALA 14 CO 0.08 -0.41 0.51 0.00 0.00 0.00 0.00 179.25 179.43 1cb1 h ALA 15 N 1.61 2.52 0.00 0.00 0.00 -0.69 0.14 119.26 122.85 1cb1 h ALA 15 Ca 0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1cb1 h ALA 15 Cb 1.11 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1cb1 h ALA 15 CO -0.21 -0.73 -0.01 0.87 0.00 0.00 0.00 179.25 179.18 1cb1 h LYS 16 N 0.11 0.00 -0.00 0.00 1.57 -1.20 0.61 116.57 117.65 1cb1 h LYS 16 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1cb1 h LYS 16 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1cb1 h LYS 16 CO -0.04 0.01 -0.02 0.39 -0.57 0.00 0.00 179.45 179.22 1cb1 n GLU 17 N -4.03 0.60 0.00 3.15 -0.58 0.49 -4.93 120.64 115.35 1cb1 n GLU 17 Ca -0.03 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1cb1 n GLU 17 Cb 0.09 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 1cb1 n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1cb1 n GLY 18 N 1.22 2.35 3.62 0.62 0.00 0.20 -4.94 105.19 108.26 1cb1 n GLY 18 Ca 0.16 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 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 6.77 -1.41 1.61 2.15 -1.26 -4.81 116.67 119.72 1cb1 s ASP 19 Ca 0.00 0.74 -0.10 0.00 0.43 0.00 0.00 52.55 53.62 1cb1 s ASP 19 Cb 0.00 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 40.01 1cb1 s ASP 19 CO 0.00 -1.09 2.62 -0.81 -0.17 0.00 0.00 175.17 175.73 1cb1 n PRO 20 N 7.40 3.12 0.00 4.34 -0.04 -1.26 -3.79 135.00 144.77 1cb1 n PRO 20 Ca 0.12 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 1cb1 n PRO 20 Cb 0.48 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 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 4.28 0.00 -3.64 3.54 2.85 -1.26 -4.89 115.26 116.14 1cb1 n ASN 21 Ca 0.66 -1.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.03 1cb1 n ASN 21 Cb 0.24 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.23 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 0.00 1.30 -0.06 1.20 -0.21 -1.25 -0.33 119.66 120.31 1cb1 s GLN 22 Ca 0.00 -0.74 0.05 0.00 0.02 0.00 0.00 55.36 54.70 1cb1 s GLN 22 Cb 0.00 0.53 -0.01 0.00 1.00 0.00 0.00 33.01 34.53 1cb1 s GLN 22 CO 0.00 -0.55 -0.23 -0.51 -2.12 0.00 0.00 175.29 171.88 1cb1 s LEU 23 N -2.83 2.19 0.71 2.90 1.02 -0.03 -4.22 118.68 118.42 1cb1 s LEU 23 Ca 0.06 -0.46 -0.11 0.00 0.02 0.00 0.00 54.13 53.64 1cb1 s LEU 23 Cb -0.01 -1.41 0.02 0.00 0.02 0.00 0.00 46.19 44.81 1cb1 s LEU 23 CO -0.07 0.25 1.09 -0.44 0.02 0.00 0.00 176.35 177.20 1cb1 s SER 24 N -0.21 5.40 0.26 2.29 0.01 -1.26 -0.29 113.70 119.90 1cb1 s SER 24 Ca -0.02 1.08 -0.02 0.00 1.31 0.00 0.00 55.95 58.30 1cb1 s SER 24 Cb -0.13 -1.87 0.56 0.00 0.21 0.00 0.00 66.02 64.78 1cb1 s SER 24 CO 0.03 -1.36 1.38 1.17 0.41 0.00 0.00 173.24 174.87 1cb1 n LYS 25 N -3.00 -0.07 0.38 12.44 4.81 0.11 -0.53 118.16 132.30 1cb1 n LYS 25 Ca 0.07 1.34 -0.18 0.00 -0.87 0.00 0.00 58.31 58.68 1cb1 n LYS 25 Cb 0.57 -2.08 -0.09 0.00 0.02 0.00 0.00 35.03 33.46 1cb1 n LYS 25 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1cb1 h GLU 26 N 0.00 -0.92 -0.75 1.64 3.07 -1.92 0.47 114.58 116.17 1cb1 h GLU 26 Ca 0.49 0.06 0.03 0.00 -0.50 0.00 0.00 59.36 59.44 1cb1 h GLU 26 Cb 0.90 0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 28.98 1cb1 h GLU 26 CO -0.86 -0.59 0.49 0.93 -1.40 0.00 0.00 179.01 177.57 1cb1 h GLU 27 N -1.05 0.91 0.17 2.33 3.07 -1.59 -0.36 114.58 118.06 1cb1 h GLU 27 Ca -0.10 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.70 1cb1 h GLU 27 Cb 0.75 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1cb1 h GLU 27 CO 0.16 0.60 -0.08 1.37 -1.40 0.00 0.00 179.01 179.66 1cb1 h LEU 28 N 0.94 -0.20 -0.65 1.33 8.10 -0.70 -0.05 115.31 124.08 1cb1 h LEU 28 Ca 0.29 -0.23 0.13 0.00 0.11 0.00 0.00 57.88 58.18 1cb1 h LEU 28 Cb 0.00 0.05 -0.12 0.00 -0.44 0.00 0.00 40.66 40.15 1cb1 h LEU 28 CO -0.08 0.13 -0.17 0.50 -4.11 0.00 0.00 178.44 174.71 1cb1 h LYS 29 N -0.54 -0.01 0.35 0.17 1.63 -0.30 0.20 116.57 118.07 1cb1 h LYS 29 Ca -0.02 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1cb1 h LYS 29 Cb 0.41 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 1cb1 h LYS 29 CO 0.04 -0.01 -0.38 1.96 -3.45 0.00 0.00 179.45 177.61 1cb1 h GLN 30 N -0.01 -0.74 -0.48 1.90 4.20 -0.94 -1.54 115.11 117.50 1cb1 h GLN 30 Ca 0.31 0.05 0.09 0.00 0.06 0.00 0.00 58.65 59.16 1cb1 h GLN 30 Cb 0.48 0.17 -0.10 0.00 0.30 0.00 0.00 27.48 28.33 1cb1 h GLN 30 CO -0.67 -0.49 -0.28 1.25 -0.67 0.00 0.00 178.83 177.96 1cb1 h LEU 31 N -0.77 -0.96 0.02 1.46 5.85 0.93 0.18 115.31 122.02 1cb1 h LEU 31 Ca -0.02 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1cb1 h LEU 31 Cb 0.70 0.48 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 1cb1 h LEU 31 CO -0.08 -0.29 -0.42 0.40 -0.34 0.00 0.00 178.44 177.71 1cb1 h ILE 32 N -0.18 0.00 -0.33 4.05 1.08 -0.51 -0.50 117.51 121.12 1cb1 h ILE 32 Ca 0.21 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.67 1cb1 h ILE 32 Cb 0.51 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 1cb1 h ILE 32 CO -0.58 0.00 0.17 1.56 -0.69 0.00 0.00 178.15 178.61 1cb1 h GLN 33 N -0.54 0.45 -0.74 2.37 1.08 -0.96 -2.27 115.11 114.50 1cb1 h GLN 33 Ca 0.01 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 1cb1 h GLN 33 Cb 0.57 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 1cb1 h GLN 33 CO -0.27 0.34 0.24 0.00 -0.95 0.00 0.00 178.83 178.19 1cb1 h ALA 34 N 1.74 1.02 -3.00 3.87 0.00 0.30 -3.35 119.26 119.84 1cb1 h ALA 34 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1cb1 h ALA 34 Cb 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1cb1 h ALA 34 CO -0.02 0.66 0.00 0.39 0.00 0.00 0.00 179.25 180.28 1cb1 n GLU 35 N -4.25 3.30 -0.15 0.00 1.02 -0.29 -4.97 120.64 115.30 1cb1 n GLU 35 Ca 0.06 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.14 1cb1 n GLU 35 Cb 0.22 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.76 1cb1 n GLU 35 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1cb1 h PHE 36 N 0.00 0.96 0.00 -0.32 0.04 -1.85 -3.29 116.94 112.48 1cb1 h PHE 36 Ca 0.00 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1cb1 h PHE 36 Cb 0.00 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.89 1cb1 h PHE 36 CO 0.00 0.86 0.12 -2.30 -0.60 0.00 0.00 178.31 176.39 1cb1 n PRO 37 N -4.21 0.00 -0.08 1.51 -0.02 -1.23 -2.97 135.00 128.00 1cb1 n PRO 37 Ca 0.03 0.09 0.16 0.00 -2.02 0.00 0.00 63.50 61.76 1cb1 n PRO 37 Cb 0.31 -1.62 0.57 0.00 -0.02 0.00 0.00 33.50 32.74 1cb1 n PRO 37 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1cb1 h SER 38 N 0.00 0.24 0.29 2.55 4.64 -1.69 0.12 113.55 119.71 1cb1 h SER 38 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1cb1 h SER 38 Cb 0.23 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1cb1 h SER 38 CO 0.00 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 1cb1 n LEU 39 N -4.44 0.36 0.00 5.97 -0.00 -1.16 -4.88 117.00 112.85 1cb1 n LEU 39 Ca 0.11 0.63 0.00 0.00 -0.00 0.00 0.00 56.01 56.75 1cb1 n LEU 39 Cb 0.50 -0.63 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 1cb1 n LEU 39 CO 0.35 -0.62 0.00 0.18 -0.00 0.00 0.00 177.39 177.30 1cb1 n LEU 40 N -1.94 0.00 -3.35 1.47 4.77 0.41 -4.73 117.00 113.63 1cb1 n LEU 40 Ca 0.01 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 1cb1 n LEU 40 Cb 0.10 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1cb1 n LEU 40 CO 0.11 0.00 2.50 1.17 -1.33 0.00 0.00 177.39 179.84 1cb1 n LYS 41 N 0.00 2.27 -2.11 3.23 3.00 -1.26 -4.62 118.16 118.67 1cb1 n LYS 41 Ca 0.00 -1.77 -0.28 0.00 -0.00 0.00 0.00 58.31 56.27 1cb1 n LYS 41 Cb 0.00 -2.69 0.14 0.00 0.00 0.00 0.00 35.03 32.48 1cb1 n LYS 41 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1cb1 s GLY 42 N 3.56 1.74 0.43 3.14 0.00 -1.26 -4.97 107.32 109.95 1cb1 s GLY 42 Ca 0.49 -1.19 0.17 0.00 0.00 0.00 0.00 44.72 44.19 1cb1 s GLY 42 CO -0.01 -0.56 1.92 -0.56 0.00 0.00 0.00 173.10 173.89 1cb1 h PRO 43 N -1.16 0.00 -4.90 2.90 0.13 -1.91 -3.41 132.00 123.66 1cb1 h PRO 43 Ca -0.43 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.18 1cb1 h PRO 43 Cb 1.27 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.08 1cb1 h PRO 43 CO 0.46 0.26 -0.82 -0.98 -0.23 0.00 0.00 178.00 176.69 1cb1 s ARG 44 N -4.25 1.60 0.69 0.86 1.70 -1.26 -5.14 118.95 113.15 1cb1 s ARG 44 Ca -0.03 -0.48 -0.17 0.00 -0.47 0.00 0.00 55.73 54.58 1cb1 s ARG 44 Cb 0.14 -1.37 0.02 0.00 -0.57 0.00 0.00 34.95 33.16 1cb1 s ARG 44 CO 0.68 0.14 1.25 0.99 -1.08 0.00 0.00 175.30 177.29 1cb1 s THR 45 N 0.28 2.14 0.12 4.99 2.01 -1.26 -4.72 115.64 119.21 1cb1 s THR 45 Ca -0.07 0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.77 1cb1 s THR 45 Cb -0.12 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 1cb1 s THR 45 CO 0.02 -0.03 1.67 0.25 -0.69 0.00 0.00 174.62 175.84 1cb1 h LEU 46 N 0.11 -0.49 -1.21 4.42 6.46 -1.96 0.27 115.31 122.90 1cb1 h LEU 46 Ca -0.49 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.33 1cb1 h LEU 46 Cb 1.32 0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 41.43 1cb1 h LEU 46 CO 0.51 -0.22 0.37 -0.78 -0.62 0.00 0.00 178.44 177.70 1cb1 h ASP 47 N -0.26 0.81 0.71 1.25 3.58 -1.98 0.01 116.42 120.54 1cb1 h ASP 47 Ca 0.06 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1cb1 h ASP 47 Cb 0.34 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.19 1cb1 h ASP 47 CO -0.18 0.65 -0.34 -0.78 -2.88 0.00 0.00 179.24 175.71 1cb1 h ASP 48 N 0.93 -0.81 -0.61 2.28 3.58 -1.62 -0.12 116.42 120.05 1cb1 h ASP 48 Ca 0.24 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.75 1cb1 h ASP 48 Cb 0.01 0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 1cb1 h ASP 48 CO -0.04 -0.52 0.37 0.17 -2.88 0.00 0.00 179.24 176.34 1cb1 h LEU 49 N -1.06 0.60 -0.32 2.28 8.10 -0.51 0.94 115.31 125.34 1cb1 h LEU 49 Ca -0.10 0.01 0.05 0.00 0.11 0.00 0.00 57.88 57.95 1cb1 h LEU 49 Cb 0.73 -0.12 -0.08 0.00 -0.44 0.00 0.00 40.66 40.75 1cb1 h LEU 49 CO 0.16 0.42 -0.48 0.15 -4.11 0.00 0.00 178.44 174.58 1cb1 h PHE 50 N 0.73 -1.42 -0.37 0.17 3.57 -0.94 -0.27 116.94 118.42 1cb1 h PHE 50 Ca 0.25 0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 1cb1 h PHE 50 Cb 0.04 0.66 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1cb1 h PHE 50 CO -0.06 -0.48 0.04 0.37 -2.23 0.00 0.00 178.31 175.95 1cb1 h GLN 51 N -0.41 0.62 -0.84 1.11 -0.00 -0.43 0.71 115.11 115.86 1cb1 h GLN 51 Ca 0.10 -0.18 0.08 0.00 -0.00 0.00 0.00 58.65 58.64 1cb1 h GLN 51 Cb 0.61 -0.07 -0.06 0.00 0.00 0.00 0.00 27.48 27.97 1cb1 h GLN 51 CO -0.53 0.70 0.55 1.05 0.00 0.00 0.00 178.83 180.60 1cb1 h GLU 52 N 0.45 0.87 0.08 1.69 4.11 -0.44 -2.49 114.58 118.85 1cb1 h GLU 52 Ca 0.11 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.48 1cb1 h GLU 52 Cb 0.40 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1cb1 h GLU 52 CO 0.01 0.57 -0.04 -0.07 0.07 0.00 0.00 179.01 179.56 1cb1 h LEU 53 N 0.89 -0.09 -6.00 3.06 3.38 -0.81 -3.36 115.31 112.38 1cb1 h LEU 53 Ca 0.37 -0.48 -0.50 0.00 0.09 0.00 0.00 57.88 57.36 1cb1 h LEU 53 Cb 0.29 0.02 0.03 0.00 0.09 0.00 0.00 40.66 41.10 1cb1 h LEU 53 CO -0.14 0.47 2.37 -0.67 0.09 0.00 0.00 178.44 180.56 1cb1 n ASP 54 N -4.87 3.46 -0.33 -0.43 2.03 0.22 -4.78 116.55 111.85 1cb1 n ASP 54 Ca -0.08 -2.49 0.14 0.00 0.52 0.00 0.00 54.79 52.88 1cb1 n ASP 54 Cb 0.28 -1.07 0.29 0.00 -0.72 0.00 0.00 41.12 39.90 1cb1 n ASP 54 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1cb1 h LYS 55 N 7.23 0.03 -0.01 -0.67 3.64 -1.72 0.13 116.57 125.20 1cb1 h LYS 55 Ca 0.44 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1cb1 h LYS 55 Cb 0.42 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1cb1 h LYS 55 CO 1.70 0.02 -0.02 0.27 -2.27 0.00 0.00 179.45 179.15 1cb1 n ASN 56 N -5.46 0.57 -0.94 4.20 6.94 -1.26 -4.93 115.26 114.38 1cb1 n ASN 56 Ca 0.23 -1.07 -0.12 0.00 -0.02 0.00 0.00 54.58 53.60 1cb1 n ASN 56 Cb 0.75 -0.02 -0.05 0.00 -2.36 0.00 0.00 39.78 38.10 1cb1 n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cb1 n GLY 57 N 1.11 1.25 0.14 4.83 0.00 0.46 -4.89 105.19 108.09 1cb1 n GLY 57 Ca 0.20 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1cb1 n GLY 57 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1cb1 h ASP 58 N 0.00 0.63 0.00 1.61 3.58 -1.92 -3.48 116.42 116.84 1cb1 h ASP 58 Ca -0.25 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 56.31 1cb1 h ASP 58 Cb 1.01 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1cb1 h ASP 58 CO 0.37 1.47 0.00 0.61 -2.88 0.00 0.00 179.24 178.80 1cb1 n GLY 59 N 1.52 0.87 3.45 -0.78 0.00 -1.26 -5.04 105.19 103.95 1cb1 n GLY 59 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 2.37 -0.38 1.61 2.02 -1.26 -0.71 118.70 122.34 1cb1 s GLU 60 Ca 0.00 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.22 1cb1 s GLU 60 Cb 0.00 -2.29 0.14 0.00 0.10 0.00 0.00 34.13 32.08 1cb1 s GLU 60 CO 0.00 0.60 0.23 0.08 0.02 0.00 0.00 175.26 176.19 1cb1 s VAL 61 N -0.75 0.50 0.63 2.63 1.01 0.61 -3.32 120.40 121.71 1cb1 s VAL 61 Ca 0.12 -1.99 -0.13 0.00 0.00 0.00 0.00 61.98 59.97 1cb1 s VAL 61 Cb -0.10 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1cb1 s VAL 61 CO 0.01 -0.98 1.05 -0.44 0.00 0.00 0.00 175.10 174.74 1cb1 s SER 62 N 0.82 5.75 0.14 3.32 0.01 -1.26 -0.85 113.70 121.64 1cb1 s SER 62 Ca 0.19 1.67 -0.21 0.00 1.31 0.00 0.00 55.95 58.90 1cb1 s SER 62 Cb -0.22 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.52 1cb1 s SER 62 CO -0.00 -1.19 1.66 0.15 0.41 0.00 0.00 173.24 174.26 1cb1 h PHE 63 N -0.07 -0.42 -0.50 2.43 3.57 -1.06 0.12 116.94 121.00 1cb1 h PHE 63 Ca -0.45 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.16 1cb1 h PHE 63 Cb 1.21 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 40.14 1cb1 h PHE 63 CO 0.61 -0.24 0.34 1.05 -2.23 0.00 0.00 178.31 177.85 1cb1 h GLU 64 N -0.17 0.34 0.06 1.11 9.09 -1.95 -1.79 114.58 121.27 1cb1 h GLU 64 Ca 0.13 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 59.51 1cb1 h GLU 64 Cb 0.36 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1cb1 h GLU 64 CO -0.32 0.22 -0.03 0.93 0.05 0.00 0.00 179.01 179.87 1cb1 h GLU 65 N 0.35 -0.08 -1.48 1.06 5.08 -1.69 -3.30 114.58 114.52 1cb1 h GLU 65 Ca 0.23 0.01 0.48 0.00 -1.00 0.00 0.00 59.36 59.07 1cb1 h GLU 65 Cb 0.45 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.60 1cb1 h GLU 65 CO -0.05 0.51 0.98 0.35 -1.00 0.00 0.00 179.01 179.80 1cb1 h PHE 66 N -0.80 0.40 -0.88 4.33 3.57 0.07 -0.65 116.94 122.97 1cb1 h PHE 66 Ca -0.01 0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.74 1cb1 h PHE 66 Cb 0.63 -0.09 -0.14 0.00 2.79 0.00 0.00 35.95 39.13 1cb1 h PHE 66 CO 0.14 -0.19 0.24 1.96 -2.23 0.00 0.00 178.31 178.23 1cb1 h GLN 67 N 0.04 0.21 0.00 1.11 4.20 -1.54 0.28 115.11 119.40 1cb1 h GLN 67 Ca 0.86 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.53 1cb1 h GLN 67 Cb 2.91 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 30.64 1cb1 h GLN 67 CO -0.34 0.14 -0.15 -0.24 -0.67 0.00 0.00 178.83 177.56 1cb1 h VAL 68 N 0.21 0.52 0.00 -0.54 3.04 -1.36 -2.63 116.25 115.50 1cb1 h VAL 68 Ca 0.55 -0.75 -0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1cb1 h VAL 68 Cb 1.10 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1cb1 h VAL 68 CO -0.65 0.15 -0.00 0.25 -1.01 0.00 0.00 177.57 176.31 1cb1 h LEU 69 N 0.00 -0.00 -0.96 3.16 5.85 -0.71 -3.31 115.31 119.34 1cb1 h LEU 69 Ca -0.00 -0.94 0.29 0.00 0.84 0.00 0.00 57.88 58.07 1cb1 h LEU 69 Cb 0.49 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.38 1cb1 h LEU 69 CO 0.02 0.96 0.45 0.58 -0.34 0.00 0.00 178.44 180.11 1cb1 h VAL 70 N -0.98 0.31 -0.62 1.05 2.07 -0.80 -2.14 116.25 115.15 1cb1 h VAL 70 Ca -0.00 -0.10 -0.14 0.00 0.82 0.00 0.00 66.70 67.28 1cb1 h VAL 70 Cb 0.94 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1cb1 h VAL 70 CO 0.00 0.05 0.40 -0.54 0.02 0.00 0.00 177.57 177.50 1cb1 s LYS 71 N -5.76 1.94 -0.97 1.57 -0.14 -1.01 -3.16 119.74 112.21 1cb1 s LYS 71 Ca -0.11 0.35 -0.05 0.00 -1.36 0.00 0.00 55.97 54.80 1cb1 s LYS 71 Cb 0.29 -4.83 -0.05 0.00 -1.68 0.00 0.00 37.83 31.56 1cb1 s LYS 71 CO 0.78 -4.00 0.85 1.63 -0.76 0.00 0.00 175.35 173.85 1cb1 n LYS 72 N 8.86 -1.92 -0.18 1.68 4.01 -1.25 -4.94 118.16 124.43 1cb1 n LYS 72 Ca 0.43 1.01 -0.05 0.00 -0.51 0.00 0.00 58.31 59.19 1cb1 n LYS 72 Cb 0.45 -5.66 -0.04 0.00 -0.51 0.00 0.00 35.03 29.28 1cb1 n LYS 72 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1cb1 n ILE 73 N -2.90 -0.28 -3.62 -0.18 5.41 -0.80 -4.71 119.36 112.28 1cb1 n ILE 73 Ca -0.06 1.32 -0.11 0.00 1.00 0.00 0.00 62.75 64.90 1cb1 n ILE 73 Cb 0.59 -1.66 -0.07 0.00 -0.71 0.00 0.00 39.64 37.80 1cb1 n ILE 73 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1cb1 s SER 74 N -4.56 -0.50 0.00 4.38 0.15 -1.26 -4.91 113.70 106.99 1cb1 s SER 74 Ca -0.05 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1cb1 s SER 74 Cb 0.05 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.21 1cb1 s SER 74 CO 0.26 -0.23 0.00 0.00 1.20 0.00 0.00 173.24 174.47