#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbk s GLN 2 N 0.00 3.65 0.26 2.12 0.74 -1.26 -0.12 119.66 125.04 2gbk s GLN 2 Ca 0.00 -0.51 0.08 0.00 0.05 0.00 0.00 55.36 54.98 2gbk s GLN 2 Cb 0.00 -3.08 -0.05 0.00 1.10 0.00 0.00 33.01 30.97 2gbk s GLN 2 CO 0.00 0.04 -0.11 0.96 -0.55 0.00 0.00 175.29 175.63 2gbk s ILE 3 N 0.93 1.81 0.05 -2.34 -4.36 -0.61 0.62 121.20 117.30 2gbk s ILE 3 Ca 0.01 -2.19 0.07 0.00 -0.26 0.00 0.00 60.65 58.28 2gbk s ILE 3 Cb -0.14 -2.30 -0.03 0.00 1.25 0.00 0.00 42.46 41.23 2gbk s ILE 3 CO 0.02 -0.41 -0.17 -0.36 0.24 0.00 0.00 174.94 174.26 2gbk s PHE 4 N -2.92 2.59 -0.08 1.37 0.08 -0.33 -0.84 117.98 117.86 2gbk s PHE 4 Ca 0.27 -0.23 0.02 0.00 0.12 0.00 0.00 56.93 57.11 2gbk s PHE 4 Cb 0.01 -1.46 0.01 0.00 -0.57 0.00 0.00 43.02 41.01 2gbk s PHE 4 CO 0.11 0.29 -0.14 0.08 -0.10 0.00 0.00 175.22 175.46 2gbk s VAL 5 N -0.97 1.27 0.13 -0.44 1.01 0.11 -0.80 120.40 120.72 2gbk s VAL 5 Ca 0.16 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.63 2gbk s VAL 5 Cb -0.11 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2gbk s VAL 5 CO 0.06 0.39 -0.10 -0.54 0.00 0.00 0.00 175.10 174.92 2gbk s LYS 6 N 0.73 1.00 0.87 2.72 1.02 -0.44 -1.49 119.74 124.14 2gbk s LYS 6 Ca -0.13 -1.39 -0.13 0.00 0.02 0.00 0.00 55.97 54.34 2gbk s LYS 6 Cb -0.16 -0.56 0.14 0.00 -0.52 0.00 0.00 37.83 36.73 2gbk s LYS 6 CO 0.03 0.07 1.23 0.95 -0.92 0.00 0.00 175.35 176.70 2gbk s THR 7 N -3.21 2.03 0.56 2.17 -4.23 -1.26 0.03 115.64 111.73 2gbk s THR 7 Ca 0.14 -0.04 -0.19 0.00 -1.18 0.00 0.00 61.69 60.42 2gbk s THR 7 Cb 0.02 -2.98 -0.05 0.00 1.34 0.00 0.00 72.50 70.83 2gbk s THR 7 CO -0.00 0.00 1.15 -0.76 -0.54 0.00 0.00 174.62 174.47 2gbk s LEU 8 N -5.68 3.70 0.18 4.79 1.43 -1.26 -4.81 118.68 117.03 2gbk s LEU 8 Ca 0.68 2.22 -0.13 0.00 -1.03 0.00 0.00 54.13 55.87 2gbk s LEU 8 Cb -0.07 -4.58 0.12 0.00 0.03 0.00 0.00 46.19 41.69 2gbk s LEU 8 CO 0.50 -1.35 1.80 0.74 0.23 0.00 0.00 176.35 178.28 2gbk h THR 9 N 1.04 1.00 -0.77 5.49 2.02 -1.99 -1.08 112.91 118.62 2gbk h THR 9 Ca -0.50 -0.19 0.07 0.00 0.77 0.00 0.00 66.41 66.56 2gbk h THR 9 Cb 1.27 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 2gbk h THR 9 CO 0.56 0.10 0.50 -0.61 0.37 0.00 0.00 175.52 176.45 2gbk h GLN 10 N 0.56 0.78 -0.11 6.66 4.15 -2.00 -0.68 115.11 124.48 2gbk h GLN 10 Ca 0.22 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.55 2gbk h GLN 10 Cb 0.08 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.59 2gbk h GLN 10 CO -0.13 0.52 -0.12 0.28 -1.93 0.00 0.00 178.83 177.46 2gbk h VAL 11 N 0.81 1.36 -0.63 2.39 2.07 -1.75 -3.20 116.25 117.30 2gbk h VAL 11 Ca 0.33 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 2gbk h VAL 11 Cb 0.27 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 2gbk h VAL 11 CO -0.12 0.37 0.33 0.03 0.02 0.00 0.00 177.57 178.21 2gbk h ARG 12 N -0.14 0.87 0.00 1.57 3.08 -0.67 -1.01 114.38 118.08 2gbk h ARG 12 Ca 0.02 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 2gbk h ARG 12 Cb 0.64 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2gbk h ARG 12 CO 0.03 0.65 -0.19 0.93 -1.07 0.00 0.00 179.97 180.32 2gbk h GLU 13 N 0.88 0.00 0.11 0.04 5.08 -1.21 0.32 114.58 119.80 2gbk h GLU 13 Ca 0.22 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.25 2gbk h GLU 13 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2gbk h GLU 13 CO -0.03 0.19 -1.76 -0.07 -1.00 0.00 0.00 179.01 176.33 2gbk h LEU 14 N 0.00 0.36 -0.54 1.33 4.07 -1.36 -3.43 115.31 115.74 2gbk h LEU 14 Ca -0.00 -0.86 0.00 0.00 0.08 0.00 0.00 57.88 57.10 2gbk h LEU 14 Cb 0.53 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2gbk h LEU 14 CO 0.02 1.76 0.00 1.33 -1.08 0.00 0.00 178.44 180.47 2gbk n VAL 15 N -3.73 0.00 -4.15 1.22 0.24 -0.45 -5.13 118.33 106.33 2gbk n VAL 15 Ca -0.30 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 2gbk n VAL 15 Cb 0.97 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 34.43 2gbk n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gbk n GLY 16 N 0.31 -0.85 0.00 7.63 0.00 0.11 -5.01 105.19 107.39 2gbk n GLY 16 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2gbk n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbk n GLY 17 N 0.00 3.04 3.54 -0.02 0.00 -1.26 -4.36 105.19 106.12 2gbk n GLY 17 Ca 0.00 -1.97 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 2gbk n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbk s LYS 18 N -2.37 1.94 0.10 1.61 -0.14 -1.26 -5.08 119.74 114.54 2gbk s LYS 18 Ca 0.00 -1.27 -0.27 0.00 -1.36 0.00 0.00 55.97 53.07 2gbk s LYS 18 Cb 0.00 -2.12 -0.06 0.00 -1.68 0.00 0.00 37.83 33.97 2gbk s LYS 18 CO 0.00 0.44 0.83 0.99 -0.76 0.00 0.00 175.35 176.85 2gbk s THR 19 N -1.57 4.54 -0.06 2.17 2.01 -1.26 -4.77 115.64 116.71 2gbk s THR 19 Ca 0.23 1.78 -0.01 0.00 0.31 0.00 0.00 61.69 64.00 2gbk s THR 19 Cb -0.09 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 2gbk s THR 19 CO 0.13 0.40 0.01 0.27 -0.69 0.00 0.00 174.62 174.75 2gbk s ILE 20 N -0.38 4.34 -0.20 1.82 -4.36 -0.56 -4.95 121.20 116.91 2gbk s ILE 20 Ca 0.40 -0.34 -0.06 0.00 -0.26 0.00 0.00 60.65 60.40 2gbk s ILE 20 Cb -0.22 -2.87 -0.03 0.00 1.25 0.00 0.00 42.46 40.59 2gbk s ILE 20 CO 0.26 0.53 0.02 0.28 0.24 0.00 0.00 174.94 176.27 2gbk s THR 21 N -0.96 4.17 -0.06 8.37 -1.32 -1.26 -0.71 115.64 123.87 2gbk s THR 21 Ca 0.16 -0.24 0.03 0.00 -1.21 0.00 0.00 61.69 60.42 2gbk s THR 21 Cb -0.11 -2.88 -0.02 0.00 -1.51 0.00 0.00 72.50 67.97 2gbk s THR 21 CO 0.05 0.43 -0.14 -0.76 -2.21 0.00 0.00 174.62 172.00 2gbk s LEU 22 N 0.86 2.76 -0.32 9.08 1.43 -0.02 -4.98 118.68 127.49 2gbk s LEU 22 Ca 0.02 -0.20 -0.21 0.00 -1.03 0.00 0.00 54.13 52.71 2gbk s LEU 22 Cb -0.14 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 2gbk s LEU 22 CO 0.02 0.33 0.65 -1.61 0.23 0.00 0.00 176.35 175.97 2gbk s GLU 23 N -0.61 3.86 0.30 1.70 8.01 -1.26 -1.57 118.70 129.13 2gbk s GLU 23 Ca 0.09 0.29 0.04 0.00 0.01 0.00 0.00 54.97 55.39 2gbk s GLU 23 Cb -0.11 -3.75 -0.04 0.00 -4.31 0.00 0.00 34.13 25.93 2gbk s GLU 23 CO 0.01 -0.62 0.18 0.14 0.01 0.00 0.00 175.26 174.98 2gbk s VAL 24 N 2.68 0.23 0.14 2.63 -7.23 0.83 -4.96 120.40 114.72 2gbk s VAL 24 Ca 0.26 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.54 2gbk s VAL 24 Cb -0.15 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 2gbk s VAL 24 CO 0.13 0.00 -0.26 -1.61 -0.31 0.00 0.00 175.10 173.05 2gbk s GLU 25 N -3.77 1.38 0.60 4.82 8.01 -1.26 -1.07 118.70 127.41 2gbk s GLU 25 Ca 0.36 -1.36 0.30 0.00 0.01 0.00 0.00 54.97 54.29 2gbk s GLU 25 Cb 0.04 -1.82 1.71 0.00 -4.31 0.00 0.00 34.13 29.76 2gbk s GLU 25 CO 0.19 0.42 2.09 -1.35 0.01 0.00 0.00 175.26 176.63 2gbk h PRO 26 N 3.78 0.00 -0.01 0.39 0.11 -1.96 -0.93 132.00 133.38 2gbk h PRO 26 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2gbk h PRO 26 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2gbk h PRO 26 CO 0.41 0.00 -0.08 -1.13 -0.21 0.00 0.00 178.00 176.99 2gbk n SER 27 N -3.65 1.08 -4.76 -2.05 3.41 -1.26 -1.45 113.62 104.94 2gbk n SER 27 Ca 0.01 -1.16 -0.40 0.00 -0.26 0.00 0.00 58.87 57.06 2gbk n SER 27 Cb 0.33 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 2gbk n SER 27 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2gbk s ASP 28 N -2.20 6.95 0.73 4.04 1.01 -0.35 -4.78 116.67 122.06 2gbk s ASP 28 Ca 0.34 2.44 -0.11 0.00 0.71 0.00 0.00 52.55 55.94 2gbk s ASP 28 Cb 0.21 -2.63 0.04 0.00 1.01 0.00 0.00 42.92 41.54 2gbk s ASP 28 CO 0.41 -0.38 1.10 0.42 0.21 0.00 0.00 175.17 176.92 2gbk s THR 29 N -1.20 2.92 0.33 -1.27 -4.23 -1.26 -1.19 115.64 109.74 2gbk s THR 29 Ca 0.48 0.21 0.10 0.00 -1.18 0.00 0.00 61.69 61.30 2gbk s THR 29 Cb -0.35 -3.28 0.06 0.00 1.34 0.00 0.00 72.50 70.28 2gbk s THR 29 CO 0.45 -0.35 1.76 0.40 -0.54 0.00 0.00 174.62 176.34 2gbk h ILE 30 N -0.73 1.30 -0.48 2.99 1.08 -1.27 -2.12 117.51 118.27 2gbk h ILE 30 Ca -0.45 -1.42 0.04 0.00 -0.39 0.00 0.00 64.86 62.63 2gbk h ILE 30 Cb 1.28 1.71 -0.04 0.00 -3.07 0.00 0.00 36.82 36.70 2gbk h ILE 30 CO 0.64 0.42 0.25 -0.08 -0.69 0.00 0.00 178.15 178.69 2gbk h GLU 31 N 0.09 0.48 -0.97 2.37 4.22 -1.78 -0.45 114.58 118.54 2gbk h GLU 31 Ca 0.01 -0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.44 2gbk h GLU 31 Cb 0.74 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 2gbk h GLU 31 CO 0.06 0.32 0.64 -0.91 -2.18 0.00 0.00 179.01 176.94 2gbk h ASN 32 N 0.50 1.10 -0.35 1.04 -0.26 -1.71 -1.34 115.58 114.56 2gbk h ASN 32 Ca 0.21 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.84 2gbk h ASN 32 Cb 0.10 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 2gbk h ASN 32 CO -0.14 0.79 -0.12 0.58 -1.06 0.00 0.00 177.43 177.48 2gbk h VAL 33 N 1.30 1.28 -0.71 2.81 2.07 -1.02 -2.15 116.25 119.83 2gbk h VAL 33 Ca 0.37 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 2gbk h VAL 33 Cb -0.11 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2gbk h VAL 33 CO -0.09 0.40 0.35 0.11 0.02 0.00 0.00 177.57 178.36 2gbk h LYS 34 N 0.48 1.01 -0.68 1.57 1.57 -0.87 -1.46 116.57 118.19 2gbk h LYS 34 Ca 0.08 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2gbk h LYS 34 Cb 0.65 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 2gbk h LYS 34 CO 0.04 0.77 0.41 0.00 -0.57 0.00 0.00 179.45 180.11 2gbk h ALA 35 N 1.38 0.87 -0.64 3.86 0.00 -1.07 -1.42 119.26 122.24 2gbk h ALA 35 Ca 0.25 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2gbk h ALA 35 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2gbk h ALA 35 CO -0.03 0.34 0.15 0.87 0.00 0.00 0.00 179.25 180.58 2gbk h LYS 36 N 0.93 1.02 -0.68 0.00 1.57 -0.95 -2.19 116.57 116.27 2gbk h LYS 36 Ca 0.25 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2gbk h LYS 36 Cb -0.03 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 2gbk h LYS 36 CO -0.05 0.91 0.29 0.82 -0.57 0.00 0.00 179.45 180.85 2gbk h ILE 37 N 0.97 1.23 -0.53 1.86 2.04 -0.97 -2.40 117.51 119.70 2gbk h ILE 37 Ca 0.20 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 2gbk h ILE 37 Cb 0.35 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2gbk h ILE 37 CO 0.00 0.28 0.10 -0.61 0.00 0.00 0.00 178.15 177.93 2gbk h GLN 38 N 0.97 0.82 -0.66 2.37 4.15 -0.88 0.43 115.11 122.30 2gbk h GLN 38 Ca 0.23 -0.18 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 2gbk h GLN 38 Cb 0.15 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 2gbk h GLN 38 CO -0.02 0.76 0.30 -0.44 -1.93 0.00 0.00 178.83 177.50 2gbk h ASP 39 N 0.79 0.88 0.14 -0.69 3.32 -0.94 -0.48 116.42 119.44 2gbk h ASP 39 Ca 0.17 -0.14 -0.25 0.00 0.02 0.00 0.00 57.03 56.83 2gbk h ASP 39 Cb 0.32 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.66 2gbk h ASP 39 CO 0.00 0.78 -1.19 0.11 -1.72 0.00 0.00 179.24 177.22 2gbk h LYS 40 N 0.92 0.29 -0.00 3.56 1.57 -1.22 -3.41 116.57 118.29 2gbk h LYS 40 Ca 0.23 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2gbk h LYS 40 Cb 0.14 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2gbk h LYS 40 CO -0.03 1.24 -0.28 0.39 -0.57 0.00 0.00 179.45 180.21 2gbk n GLU 41 N -3.98 4.78 -1.00 3.15 -0.58 0.12 -5.03 120.64 118.11 2gbk n GLU 41 Ca -0.20 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.50 2gbk n GLU 41 Cb 0.89 -0.80 0.00 0.00 -0.57 0.00 0.00 31.44 30.96 2gbk n GLU 41 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gbk n GLY 42 N 1.11 0.45 3.67 0.62 0.00 -0.19 -4.99 105.19 105.86 2gbk n GLY 42 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2gbk n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gbk s ILE 43 N -1.94 4.79 0.21 -0.61 1.01 -1.26 -4.97 121.20 118.43 2gbk s ILE 43 Ca 0.00 1.86 -0.32 0.00 0.00 0.00 0.00 60.65 62.19 2gbk s ILE 43 Cb 0.00 -4.24 -0.13 0.00 0.01 0.00 0.00 42.46 38.10 2gbk s ILE 43 CO 0.00 -0.06 1.54 -2.65 0.00 0.00 0.00 174.94 173.78 2gbk n PRO 44 N 5.61 2.27 -0.34 2.79 -0.02 -1.26 -4.16 135.00 139.89 2gbk n PRO 44 Ca 0.08 0.81 0.18 0.00 -2.02 0.00 0.00 63.50 62.56 2gbk n PRO 44 Cb 0.48 -2.56 0.39 0.00 -0.02 0.00 0.00 33.50 31.79 2gbk n PRO 44 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2gbk h PRO 45 N 5.31 0.50 0.00 0.52 0.11 -1.94 0.19 132.00 136.69 2gbk h PRO 45 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2gbk h PRO 45 Cb 1.25 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2gbk h PRO 45 CO 0.84 0.33 -0.11 -0.44 -0.21 0.00 0.00 178.00 178.41 2gbk h ASP 46 N 0.51 0.00 -0.06 -2.05 5.19 -1.98 -2.22 116.42 115.82 2gbk h ASP 46 Ca 0.65 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.06 2gbk h ASP 46 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2gbk h ASP 46 CO -0.51 0.11 0.00 0.00 -3.12 0.00 0.00 179.24 175.72 2gbk n GLN 47 N -3.92 2.06 -3.60 3.56 1.13 0.03 -4.84 117.38 111.79 2gbk n GLN 47 Ca -0.02 -1.55 -0.37 0.00 -1.94 0.00 0.00 57.00 53.12 2gbk n GLN 47 Cb 0.20 -1.47 -0.06 0.00 0.11 0.00 0.00 30.24 29.02 2gbk n GLN 47 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2gbk s GLN 48 N -1.95 3.89 -0.08 -1.09 -0.21 -0.84 -2.00 119.66 117.37 2gbk s GLN 48 Ca 0.33 0.20 -0.00 0.00 0.02 0.00 0.00 55.36 55.90 2gbk s GLN 48 Cb 0.20 -3.27 0.02 0.00 1.00 0.00 0.00 33.01 30.97 2gbk s GLN 48 CO 0.31 0.58 -0.05 1.03 -2.12 0.00 0.00 175.29 175.04 2gbk s ARG 49 N -0.62 1.17 -0.12 2.91 1.81 -0.85 -4.87 118.95 118.38 2gbk s ARG 49 Ca 0.20 -0.14 -0.07 0.00 -1.72 0.00 0.00 55.73 53.99 2gbk s ARG 49 Cb -0.14 -1.27 -0.04 0.00 -0.45 0.00 0.00 34.95 33.04 2gbk s ARG 49 CO 0.08 -0.21 0.14 -0.51 -0.68 0.00 0.00 175.30 174.12 2gbk s LEU 50 N 1.54 4.38 -0.03 2.53 1.43 -1.26 -1.82 118.68 125.45 2gbk s LEU 50 Ca 0.00 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.60 2gbk s LEU 50 Cb -0.13 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.02 2gbk s LEU 50 CO -0.05 0.41 -0.11 -0.51 0.23 0.00 0.00 176.35 176.32 2gbk s ILE 51 N -1.02 0.94 -0.04 -0.59 2.07 -0.04 -1.15 121.20 121.37 2gbk s ILE 51 Ca 0.15 -0.45 -0.00 0.00 -1.41 0.00 0.00 60.65 58.94 2gbk s ILE 51 Cb -0.12 -0.83 0.03 0.00 0.13 0.00 0.00 42.46 41.67 2gbk s ILE 51 CO 0.04 0.29 0.01 0.12 -1.91 0.00 0.00 174.94 173.49 2gbk s PHE 52 N 0.15 0.36 -1.44 3.50 5.36 -0.46 -1.08 117.98 124.36 2gbk s PHE 52 Ca -0.03 0.01 -0.10 0.00 -0.96 0.00 0.00 56.93 55.85 2gbk s PHE 52 Cb -0.09 -0.52 0.05 0.00 -0.34 0.00 0.00 43.02 42.12 2gbk s PHE 52 CO 0.01 -0.19 0.99 0.00 -1.46 0.00 0.00 175.22 174.57 2gbk n ALA 53 N 4.60 -1.44 -0.97 11.12 0.00 -1.26 -1.94 120.51 130.62 2gbk n ALA 53 Ca -0.17 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2gbk n ALA 53 Cb 0.50 -4.26 0.00 0.00 0.00 0.00 0.00 19.45 15.69 2gbk n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbk n GLY 54 N -1.73 0.38 3.34 0.00 0.00 -1.26 -5.00 105.19 100.91 2gbk n GLY 54 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2gbk n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gbk s LYS 55 N -0.66 3.30 0.07 1.61 2.20 -0.82 -5.10 119.74 120.34 2gbk s LYS 55 Ca 0.00 -0.73 -0.31 0.00 -0.36 0.00 0.00 55.97 54.57 2gbk s LYS 55 Cb 0.00 -2.55 -0.06 0.00 -1.51 0.00 0.00 37.83 33.71 2gbk s LYS 55 CO 0.00 0.21 1.25 -1.14 -0.36 0.00 0.00 175.35 175.32 2gbk s GLN 56 N 0.33 4.39 0.16 4.03 0.74 -1.26 -1.36 119.66 126.69 2gbk s GLN 56 Ca -0.13 1.85 -0.17 0.00 0.05 0.00 0.00 55.36 56.96 2gbk s GLN 56 Cb -0.16 -3.34 -0.07 0.00 1.10 0.00 0.00 33.01 30.53 2gbk s GLN 56 CO 0.06 -0.32 0.62 -0.51 -0.55 0.00 0.00 175.29 174.59 2gbk s LEU 57 N 1.18 4.38 -0.01 3.68 1.43 -0.30 -4.98 118.68 124.06 2gbk s LEU 57 Ca 0.60 1.24 -0.09 0.00 -1.03 0.00 0.00 54.13 54.85 2gbk s LEU 57 Cb -0.31 -3.31 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 2gbk s LEU 57 CO 0.29 0.11 0.30 -1.61 0.23 0.00 0.00 176.35 175.68 2gbk s GLU 58 N -1.78 3.67 0.34 1.70 2.02 -1.26 -4.73 118.70 118.66 2gbk s GLU 58 Ca 0.38 0.09 0.04 0.00 0.02 0.00 0.00 54.97 55.49 2gbk s GLU 58 Cb -0.17 -3.13 0.66 0.00 0.10 0.00 0.00 34.13 31.60 2gbk s GLU 58 CO 0.20 0.67 1.96 -0.44 0.02 0.00 0.00 175.26 177.67 2gbk h ASP 59 N 4.33 0.75 1.34 -0.19 5.19 -1.98 -3.01 116.42 122.85 2gbk h ASP 59 Ca -0.51 -0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.84 2gbk h ASP 59 Cb 1.21 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 2gbk h ASP 59 CO 0.63 0.50 -0.26 1.23 -3.12 0.00 0.00 179.24 178.22 2gbk h GLY 60 N 0.86 0.00 -1.99 2.75 0.00 -1.96 -2.72 103.07 100.01 2gbk h GLY 60 Ca 0.32 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.15 2gbk h GLY 60 CO -0.10 0.00 0.17 0.50 0.00 0.00 0.00 176.54 177.11 2gbk s ARG 61 N -3.33 3.61 0.53 4.80 0.52 -1.14 -4.84 118.95 119.10 2gbk s ARG 61 Ca 0.03 0.37 -0.02 0.00 -0.52 0.00 0.00 55.73 55.60 2gbk s ARG 61 Cb 0.08 -2.32 0.01 0.00 0.52 0.00 0.00 34.95 33.25 2gbk s ARG 61 CO 0.67 -0.24 0.78 0.95 0.02 0.00 0.00 175.30 177.48 2gbk s THR 62 N -2.74 3.50 0.22 0.02 -4.23 -1.26 -1.85 115.64 109.29 2gbk s THR 62 Ca 0.50 -0.38 -0.07 0.00 -1.18 0.00 0.00 61.69 60.55 2gbk s THR 62 Cb -0.10 -3.33 0.18 0.00 1.34 0.00 0.00 72.50 70.58 2gbk s THR 62 CO 0.43 -0.27 1.81 -0.07 -0.54 0.00 0.00 174.62 175.98 2gbk h LEU 63 N 0.10 1.12 -1.55 4.79 3.38 -1.13 -2.57 115.31 119.45 2gbk h LEU 63 Ca -0.45 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.33 2gbk h LEU 63 Cb 1.27 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2gbk h LEU 63 CO 0.57 0.96 -0.22 0.77 0.09 0.00 0.00 178.44 180.60 2gbk h SER 64 N 1.21 0.00 -0.35 -0.43 4.64 -1.47 -1.21 113.55 115.93 2gbk h SER 64 Ca 0.29 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.58 2gbk h SER 64 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2gbk h SER 64 CO -0.03 0.22 0.14 0.44 -0.87 0.00 0.00 176.83 176.73 2gbk h ASP 65 N 0.00 0.54 -0.32 4.97 3.32 -1.74 -2.47 116.42 120.72 2gbk h ASP 65 Ca -0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2gbk h ASP 65 Cb 0.51 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2gbk h ASP 65 CO 0.03 0.51 0.00 -1.22 -1.72 0.00 0.00 179.24 176.84 2gbk n TYR 66 N -4.35 0.41 -2.87 4.55 4.01 -0.92 -4.95 117.16 113.04 2gbk n TYR 66 Ca 0.03 -0.21 -0.19 0.00 -0.16 0.00 0.00 57.90 57.37 2gbk n TYR 66 Cb 0.17 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.22 2gbk n TYR 66 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2gbk n ASN 67 N 0.88 -5.45 -4.65 7.72 5.03 -0.93 -4.97 115.26 112.88 2gbk n ASN 67 Ca 0.17 -0.23 -0.42 0.00 0.87 0.00 0.00 54.58 54.97 2gbk n ASN 67 Cb 0.45 -4.30 -0.04 0.00 -1.02 0.00 0.00 39.78 34.87 2gbk n ASN 67 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2gbk s ILE 68 N -3.08 4.81 0.52 2.41 1.01 -0.50 -5.01 121.20 121.36 2gbk s ILE 68 Ca 0.25 1.70 0.02 0.00 0.00 0.00 0.00 60.65 62.61 2gbk s ILE 68 Cb -0.11 -4.17 -0.00 0.00 0.01 0.00 0.00 42.46 38.19 2gbk s ILE 68 CO 0.30 -0.07 0.09 -1.10 0.00 0.00 0.00 174.94 174.16 2gbk s GLN 69 N 2.72 2.21 0.08 2.79 -0.21 -1.26 -4.47 119.66 121.52 2gbk s GLN 69 Ca 0.38 -2.32 -0.37 0.00 0.02 0.00 0.00 55.36 53.07 2gbk s GLN 69 Cb -0.16 -1.65 -0.17 0.00 1.00 0.00 0.00 33.01 32.03 2gbk s GLN 69 CO 0.09 -0.41 1.27 1.17 -2.12 0.00 0.00 175.29 175.29 2gbk n LYS 70 N -1.37 0.97 -2.09 2.91 4.81 -1.26 -1.52 118.16 120.60 2gbk n LYS 70 Ca -0.15 0.35 -0.20 0.00 -0.87 0.00 0.00 58.31 57.44 2gbk n LYS 70 Cb 0.66 -1.95 -0.04 0.00 0.02 0.00 0.00 35.03 33.73 2gbk n LYS 70 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2gbk n GLU 71 N 2.27 -1.64 -2.03 1.64 1.02 0.20 -4.99 120.64 117.11 2gbk n GLU 71 Ca 0.18 1.03 -0.33 0.00 -0.02 0.00 0.00 57.16 58.02 2gbk n GLU 71 Cb 0.18 -5.58 0.01 0.00 -0.02 0.00 0.00 31.44 26.04 2gbk n GLU 71 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2gbk s SER 72 N -2.28 5.68 -0.21 1.62 0.01 -0.58 -4.78 113.70 113.16 2gbk s SER 72 Ca 0.00 1.88 -0.03 0.00 1.31 0.00 0.00 55.95 59.10 2gbk s SER 72 Cb 0.00 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 2gbk s SER 72 CO 0.00 -1.23 -0.06 -0.89 0.41 0.00 0.00 173.24 171.47 2gbk s THR 73 N -2.37 3.27 0.07 1.44 2.01 -1.26 -1.19 115.64 117.61 2gbk s THR 73 Ca 0.65 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.13 2gbk s THR 73 Cb -0.17 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 2gbk s THR 73 CO 0.36 0.44 0.19 -0.76 -0.69 0.00 0.00 174.62 174.16 2gbk s LEU 74 N 1.43 4.26 -0.08 4.42 1.02 0.02 -4.78 118.68 124.97 2gbk s LEU 74 Ca 0.05 0.22 -0.00 0.00 0.02 0.00 0.00 54.13 54.42 2gbk s LEU 74 Cb -0.14 -2.88 -0.03 0.00 0.02 0.00 0.00 46.19 43.16 2gbk s LEU 74 CO -0.04 0.16 -0.05 -1.00 0.02 0.00 0.00 176.35 175.44 2gbk s HIS 75 N -1.51 2.98 -0.13 0.29 3.76 -0.24 -1.33 115.29 119.12 2gbk s HIS 75 Ca 0.34 -0.00 -0.01 0.00 -0.15 0.00 0.00 55.06 55.24 2gbk s HIS 75 Cb -0.13 -1.76 -0.02 0.00 1.11 0.00 0.00 32.58 31.79 2gbk s HIS 75 CO 0.27 0.30 -0.12 -1.17 -0.85 0.00 0.00 174.74 173.17 2gbk s LEU 76 N -0.65 2.79 0.31 0.89 2.96 0.10 -0.86 118.68 124.23 2gbk s LEU 76 Ca 0.10 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2gbk s LEU 76 Cb -0.12 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 2gbk s LEU 76 CO 0.02 0.17 0.10 0.68 -1.32 0.00 0.00 176.35 176.00 2gbk s VAL 77 N 0.33 0.72 -0.01 1.68 -7.23 -0.75 -4.30 120.40 110.83 2gbk s VAL 77 Ca -0.10 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.02 2gbk s VAL 77 Cb -0.16 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 2gbk s VAL 77 CO 0.05 0.00 0.23 -0.76 -0.31 0.00 0.00 175.10 174.31 2gbk s LEU 78 N -3.42 4.37 -0.37 1.32 1.43 -1.26 -2.00 118.68 118.75 2gbk s LEU 78 Ca 0.35 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.96 2gbk s LEU 78 Cb 0.07 -2.59 0.11 0.00 0.03 0.00 0.00 46.19 43.81 2gbk s LEU 78 CO 0.15 0.27 0.12 -0.60 0.23 0.00 0.00 176.35 176.53 2gbk s ARG 79 N -1.73 1.26 -0.02 1.70 6.06 -0.85 -4.91 118.95 120.47 2gbk s ARG 79 Ca 0.26 -1.73 -0.30 0.00 -2.50 0.00 0.00 55.73 51.46 2gbk s ARG 79 Cb -0.13 -2.68 -0.04 0.00 0.06 0.00 0.00 34.95 32.16 2gbk s ARG 79 CO 0.15 -1.01 1.27 -0.51 -2.50 0.00 0.00 175.30 172.70 2gbk s LEU 80 N 0.90 4.30 0.29 -0.88 1.43 -1.26 -4.50 118.68 118.96 2gbk s LEU 80 Ca 0.12 1.95 0.06 0.00 -1.03 0.00 0.00 54.13 55.23 2gbk s LEU 80 Cb -0.20 -3.56 0.45 0.00 0.03 0.00 0.00 46.19 42.90 2gbk s LEU 80 CO -0.11 -0.62 1.71 -0.09 0.23 0.00 0.00 176.35 177.47 2gbk h ARG 81 N 7.50 0.29 0.00 1.70 2.43 -1.98 -3.53 114.38 120.80 2gbk h ARG 81 Ca -0.36 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2gbk h ARG 81 Cb 1.17 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2gbk h ARG 81 CO 0.88 0.63 0.00 0.41 -1.51 0.00 0.00 179.97 180.38