#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 3.61 0.09 2.12 -0.21 -1.26 0.28 119.66 124.29 2gbk s GLN 2 Ca 0.00 -0.55 0.09 0.00 0.02 0.00 0.00 55.36 54.91 2gbk s GLN 2 Cb 0.00 -2.86 -0.03 0.00 1.00 0.00 0.00 33.01 31.12 2gbk s GLN 2 CO 0.00 0.23 -0.22 0.42 -2.12 0.00 0.00 175.29 173.60 2gbk s ILE 3 N 0.37 1.82 -0.06 1.08 -1.09 -0.44 -0.51 121.20 122.36 2gbk s ILE 3 Ca -0.05 -1.51 -0.03 0.00 -2.23 0.00 0.00 60.65 56.82 2gbk s ILE 3 Cb -0.15 -1.62 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 2gbk s ILE 3 CO 0.03 0.03 0.11 -0.36 -1.23 0.00 0.00 174.94 173.52 2gbk s PHE 4 N -1.06 3.43 -0.12 3.97 0.08 -0.07 -0.68 117.98 123.52 2gbk s PHE 4 Ca 0.08 0.35 -0.00 0.00 0.12 0.00 0.00 56.93 57.47 2gbk s PHE 4 Cb -0.10 -1.84 0.03 0.00 -0.57 0.00 0.00 43.02 40.54 2gbk s PHE 4 CO 0.04 0.62 -0.07 0.08 -0.10 0.00 0.00 175.22 175.79 2gbk s VAL 5 N -1.11 1.01 0.28 -0.44 1.01 0.11 -0.57 120.40 120.69 2gbk s VAL 5 Ca 0.19 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 61.96 2gbk s VAL 5 Cb -0.12 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 2gbk s VAL 5 CO 0.09 0.33 -0.14 -0.54 0.00 0.00 0.00 175.10 174.84 2gbk s LYS 6 N 1.71 1.61 0.77 2.72 1.02 -0.49 -1.06 119.74 126.02 2gbk s LYS 6 Ca 0.04 -1.77 -0.09 0.00 0.02 0.00 0.00 55.97 54.18 2gbk s LYS 6 Cb -0.13 -1.52 0.09 0.00 -0.52 0.00 0.00 37.83 35.76 2gbk s LYS 6 CO -0.08 0.21 1.09 0.95 -0.92 0.00 0.00 175.35 176.60 2gbk s THR 7 N -2.71 2.17 0.76 2.17 -4.23 -1.26 0.47 115.64 113.00 2gbk s THR 7 Ca 0.29 -0.21 -0.14 0.00 -1.18 0.00 0.00 61.69 60.46 2gbk s THR 7 Cb -0.01 -2.96 0.06 0.00 1.34 0.00 0.00 72.50 70.92 2gbk s THR 7 CO 0.13 0.00 1.17 -0.76 -0.54 0.00 0.00 174.62 174.62 2gbk s LEU 8 N -5.40 3.21 0.20 4.79 1.43 -1.26 -4.78 118.68 116.88 2gbk s LEU 8 Ca 0.63 2.23 -0.09 0.00 -1.03 0.00 0.00 54.13 55.87 2gbk s LEU 8 Cb -0.09 -4.57 0.13 0.00 0.03 0.00 0.00 46.19 41.69 2gbk s LEU 8 CO 0.47 -2.31 1.76 0.74 0.23 0.00 0.00 176.35 177.24 2gbk h THR 9 N -0.62 1.25 -0.08 5.49 2.02 -1.98 0.06 112.91 119.05 2gbk h THR 9 Ca -0.46 -0.81 -0.08 0.00 0.77 0.00 0.00 66.41 65.83 2gbk h THR 9 Cb 1.28 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2gbk h THR 9 CO 0.49 0.33 -0.31 0.06 0.37 0.00 0.00 175.52 176.46 2gbk h GLN 10 N 1.07 0.15 -0.11 6.66 3.07 -1.99 0.58 115.11 124.55 2gbk h GLN 10 Ca 0.25 -0.05 -0.07 0.00 0.09 0.00 0.00 58.65 58.86 2gbk h GLN 10 Cb 0.23 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.78 2gbk h GLN 10 CO -0.02 0.45 -0.22 0.28 0.09 0.00 0.00 178.83 179.41 2gbk h VAL 11 N 0.14 1.39 -0.20 1.86 2.07 -1.82 -2.98 116.25 116.71 2gbk h VAL 11 Ca 0.02 -1.51 -0.12 0.00 0.82 0.00 0.00 66.70 65.92 2gbk h VAL 11 Cb 0.62 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2gbk h VAL 11 CO 0.04 0.44 -0.37 -0.09 0.02 0.00 0.00 177.57 177.61 2gbk h ARG 12 N -0.09 0.45 -0.28 1.57 9.65 -0.70 -0.64 114.38 124.33 2gbk h ARG 12 Ca 0.00 -0.21 -0.11 0.00 -1.10 0.00 0.00 59.98 58.57 2gbk h ARG 12 Cb 0.81 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.37 2gbk h ARG 12 CO 0.05 0.75 -0.29 0.93 2.80 0.00 0.00 179.97 184.22 2gbk h GLU 13 N 0.38 0.57 0.18 0.20 4.39 -0.99 0.06 114.58 119.36 2gbk h GLU 13 Ca 0.04 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 2gbk h GLU 13 Cb 0.82 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 2gbk h GLU 13 CO 0.07 0.80 -0.08 1.25 -1.16 0.00 0.00 179.01 179.88 2gbk h LEU 14 N 0.49 -0.20 -1.76 1.33 5.85 -1.28 -3.40 115.31 116.35 2gbk h LEU 14 Ca 0.06 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2gbk h LEU 14 Cb 0.75 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2gbk h LEU 14 CO 0.06 0.34 0.00 1.33 -0.34 0.00 0.00 178.44 179.83 2gbk n VAL 15 N -4.94 0.34 -4.50 1.05 0.24 -0.29 -5.11 118.33 105.13 2gbk n VAL 15 Ca -0.08 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 2gbk n VAL 15 Cb 0.26 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 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 0.05 -0.22 0.00 7.63 0.00 0.01 -5.01 105.19 107.65 2gbk n GLY 16 Ca 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 2.49 3.50 -0.02 0.00 -1.26 -4.52 105.19 105.37 2gbk n GLY 17 Ca 0.00 -2.12 -0.25 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.92 1.79 0.10 1.61 1.02 -1.26 -5.09 119.74 115.99 2gbk s LYS 18 Ca 0.00 -1.54 -0.29 0.00 0.02 0.00 0.00 55.97 54.16 2gbk s LYS 18 Cb 0.00 -1.93 -0.06 0.00 -0.52 0.00 0.00 37.83 35.32 2gbk s LYS 18 CO 0.00 0.38 0.90 0.99 -0.92 0.00 0.00 175.35 176.70 2gbk s THR 19 N -2.05 4.54 0.00 2.17 2.01 -1.26 -4.83 115.64 116.22 2gbk s THR 19 Ca 0.26 1.95 -0.13 0.00 0.31 0.00 0.00 61.69 64.08 2gbk s THR 19 Cb -0.07 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 68.12 2gbk s THR 19 CO 0.14 0.34 0.39 -0.63 -0.69 0.00 0.00 174.62 174.17 2gbk s ILE 20 N -0.10 5.08 -0.20 1.82 1.01 -0.22 -4.92 121.20 123.66 2gbk s ILE 20 Ca 0.44 0.74 -0.06 0.00 0.00 0.00 0.00 60.65 61.77 2gbk s ILE 20 Cb -0.23 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 2gbk s ILE 20 CO 0.28 0.54 0.02 0.28 0.00 0.00 0.00 174.94 176.06 2gbk s THR 21 N -1.12 4.14 -0.13 2.92 -1.32 -1.26 -0.71 115.64 118.16 2gbk s THR 21 Ca 0.24 -0.25 -0.00 0.00 -1.21 0.00 0.00 61.69 60.47 2gbk s THR 21 Cb -0.16 -2.88 -0.02 0.00 -1.51 0.00 0.00 72.50 67.94 2gbk s THR 21 CO 0.13 0.42 -0.12 -0.76 -2.21 0.00 0.00 174.62 172.08 2gbk s LEU 22 N 0.96 2.78 -0.36 9.08 1.43 0.15 -4.97 118.68 127.75 2gbk s LEU 22 Ca 0.02 -0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 52.58 2gbk s LEU 22 Cb -0.14 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.46 2gbk s LEU 22 CO 0.02 0.18 0.88 -1.61 0.23 0.00 0.00 176.35 176.06 2gbk s GLU 23 N 0.25 3.83 0.34 1.70 0.41 -1.26 -1.33 118.70 122.64 2gbk s GLU 23 Ca -0.08 0.52 0.05 0.00 -0.41 0.00 0.00 54.97 55.05 2gbk s GLU 23 Cb -0.15 -3.80 -0.03 0.00 -1.78 0.00 0.00 34.13 28.37 2gbk s GLU 23 CO 0.05 -0.90 0.20 0.14 -0.49 0.00 0.00 175.26 174.26 2gbk s VAL 24 N 3.34 0.22 0.15 2.63 -7.23 0.14 -4.97 120.40 114.68 2gbk s VAL 24 Ca 0.36 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.58 2gbk s VAL 24 Cb -0.12 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2gbk s VAL 24 CO 0.18 0.00 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.24 2gbk s GLU 25 N -3.64 1.09 0.38 4.82 0.41 -1.26 -1.31 118.70 119.19 2gbk s GLU 25 Ca 0.35 -1.41 0.11 0.00 -0.41 0.00 0.00 54.97 53.61 2gbk s GLU 25 Cb 0.03 -0.79 0.89 0.00 -1.78 0.00 0.00 34.13 32.48 2gbk s GLU 25 CO 0.21 0.12 1.90 -1.35 -0.49 0.00 0.00 175.26 175.65 2gbk h PRO 26 N 2.97 0.59 -0.00 0.39 0.11 -1.96 -2.28 132.00 131.82 2gbk h PRO 26 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2gbk h PRO 26 Cb 1.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2gbk h PRO 26 CO 0.59 0.39 -0.08 -1.13 -0.21 0.00 0.00 178.00 177.57 2gbk n SER 27 N -4.52 0.42 -4.74 -2.05 3.41 -1.26 -2.04 113.62 102.84 2gbk n SER 27 Ca 0.15 -0.63 -0.41 0.00 -0.26 0.00 0.00 58.87 57.72 2gbk n SER 27 Cb 0.45 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 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 -2.40 6.62 0.71 4.04 1.11 -0.86 -4.78 116.67 121.11 2gbk s ASP 28 Ca 0.32 2.69 -0.11 0.00 0.18 0.00 0.00 52.55 55.62 2gbk s ASP 28 Cb 0.20 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 41.59 2gbk s ASP 28 CO 0.45 -0.74 1.07 0.42 1.18 0.00 0.00 175.17 177.56 2gbk s THR 29 N 0.14 3.77 0.30 -1.27 -4.23 -1.26 -1.58 115.64 111.51 2gbk s THR 29 Ca 0.61 0.58 0.03 0.00 -1.18 0.00 0.00 61.69 61.72 2gbk s THR 29 Cb -0.43 -3.46 0.11 0.00 1.34 0.00 0.00 72.50 70.06 2gbk s THR 29 CO 0.42 -0.75 1.79 0.40 -0.54 0.00 0.00 174.62 175.94 2gbk h ILE 30 N -0.69 1.23 -0.93 2.99 1.08 -1.13 -1.65 117.51 118.41 2gbk h ILE 30 Ca -0.45 -1.03 0.02 0.00 -0.39 0.00 0.00 64.86 63.01 2gbk h ILE 30 Cb 1.23 1.13 -0.05 0.00 -3.07 0.00 0.00 36.82 36.06 2gbk h ILE 30 CO 0.61 0.34 0.61 -0.08 -0.69 0.00 0.00 178.15 178.94 2gbk h GLU 31 N 0.49 1.17 -0.26 2.37 4.81 -1.80 -0.71 114.58 120.66 2gbk h GLU 31 Ca 0.09 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2gbk h GLU 31 Cb 0.50 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2gbk h GLU 31 CO 0.03 0.77 0.10 -0.97 -0.73 0.00 0.00 179.01 178.22 2gbk h ASN 32 N 1.21 0.35 -0.75 1.04 -0.73 -1.67 -1.81 115.58 113.23 2gbk h ASN 32 Ca 0.36 -0.16 0.04 0.00 1.87 0.00 0.00 56.30 58.40 2gbk h ASN 32 Cb -0.06 -0.09 -0.05 0.00 0.27 0.00 0.00 38.32 38.39 2gbk h ASN 32 CO -0.10 0.42 0.46 0.58 -0.37 0.00 0.00 177.43 178.42 2gbk h VAL 33 N 0.27 1.07 -0.42 2.57 2.07 -0.98 -0.87 116.25 119.96 2gbk h VAL 33 Ca 0.09 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 2gbk h VAL 33 Cb 0.18 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 2gbk h VAL 33 CO -0.01 0.16 -0.01 0.11 0.02 0.00 0.00 177.57 177.85 2gbk h LYS 34 N 0.88 0.69 -0.54 1.57 1.57 -1.01 -1.40 116.57 118.33 2gbk h LYS 34 Ca 0.31 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 2gbk h LYS 34 Cb 0.07 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2gbk h LYS 34 CO -0.13 0.71 0.09 0.00 -0.57 0.00 0.00 179.45 179.55 2gbk h ALA 35 N 1.35 1.14 -0.45 3.86 0.00 -0.53 -0.72 119.26 123.91 2gbk h ALA 35 Ca 0.13 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2gbk h ALA 35 Cb 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2gbk h ALA 35 CO 0.02 0.57 -0.08 0.87 0.00 0.00 0.00 179.25 180.63 2gbk h LYS 36 N 0.81 0.80 -0.24 0.00 1.57 -0.65 -0.41 116.57 118.45 2gbk h LYS 36 Ca 0.17 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2gbk h LYS 36 Cb 0.36 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2gbk h LYS 36 CO 0.01 0.85 0.01 0.82 -0.57 0.00 0.00 179.45 180.57 2gbk h ILE 37 N 0.73 1.25 -0.99 1.86 2.04 -0.95 -2.60 117.51 118.85 2gbk h ILE 37 Ca 0.13 -0.86 0.08 0.00 1.00 0.00 0.00 64.86 65.21 2gbk h ILE 37 Cb 0.55 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 2gbk h ILE 37 CO 0.03 0.27 0.63 -0.61 0.00 0.00 0.00 178.15 178.48 2gbk h GLN 38 N 0.20 1.06 -0.18 2.37 4.15 -1.00 0.74 115.11 122.45 2gbk h GLN 38 Ca 0.07 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 2gbk h GLN 38 Cb 0.38 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2gbk h GLN 38 CO 0.01 0.70 -0.11 0.22 -1.93 0.00 0.00 178.83 177.73 2gbk h ASP 39 N 1.09 0.27 0.06 -0.69 3.58 -0.80 0.30 116.42 120.23 2gbk h ASP 39 Ca 0.44 -0.05 -0.25 0.00 0.42 0.00 0.00 57.03 57.60 2gbk h ASP 39 Cb 0.28 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 2gbk h ASP 39 CO -0.19 0.41 -1.30 0.11 -2.88 0.00 0.00 179.24 175.38 2gbk h LYS 40 N 0.27 0.12 0.00 0.28 1.57 -1.05 -3.42 116.57 114.34 2gbk h LYS 40 Ca 0.06 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2gbk h LYS 40 Cb 0.36 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2gbk h LYS 40 CO 0.02 1.10 -1.59 0.39 -0.57 0.00 0.00 179.45 178.80 2gbk n GLU 41 N -4.14 0.71 -1.05 3.15 -0.58 0.20 -5.01 120.64 113.93 2gbk n GLU 41 Ca -0.28 -0.13 -0.02 0.00 -0.42 0.00 0.00 57.16 56.32 2gbk n GLU 41 Cb 0.79 -1.38 -0.01 0.00 -0.57 0.00 0.00 31.44 30.27 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 1.50 0.52 3.66 0.62 0.00 0.10 -5.01 105.19 106.59 2gbk n GLY 42 Ca -0.02 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.04 4.97 0.19 -0.61 1.01 -1.26 -4.99 121.20 118.48 2gbk s ILE 43 Ca 0.00 1.34 -0.32 0.00 0.00 0.00 0.00 60.65 61.67 2gbk s ILE 43 Cb 0.00 -4.01 -0.12 0.00 0.01 0.00 0.00 42.46 38.34 2gbk s ILE 43 CO 0.00 0.09 1.74 -2.84 0.00 0.00 0.00 174.94 173.92 2gbk s PRO 44 N 1.96 4.13 0.47 2.79 0.02 -1.26 -3.99 135.00 139.12 2gbk s PRO 44 Ca 0.32 2.60 0.17 0.00 0.02 0.00 0.00 61.00 64.11 2gbk s PRO 44 Cb -0.16 -3.15 1.16 0.00 0.02 0.00 0.00 34.50 32.36 2gbk s PRO 44 CO 0.11 -0.76 2.01 -1.35 -0.33 0.00 0.00 177.00 176.67 2gbk h PRO 45 N 7.07 0.24 0.00 5.54 0.11 -1.94 -1.05 132.00 141.96 2gbk h PRO 45 Ca -0.43 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 2gbk h PRO 45 Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2gbk h PRO 45 CO 0.96 0.16 -0.22 0.22 -0.21 0.00 0.00 178.00 178.91 2gbk h ASP 46 N 0.25 0.00 0.14 -2.05 3.58 -1.96 -2.23 116.42 114.14 2gbk h ASP 46 Ca 0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.68 2gbk h ASP 46 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2gbk h ASP 46 CO -0.05 0.22 -0.19 0.00 -2.88 0.00 0.00 179.24 176.34 2gbk n GLN 47 N -3.93 1.16 -3.52 0.28 3.00 -0.41 -4.86 117.38 109.10 2gbk n GLN 47 Ca -0.02 -0.72 -0.36 0.00 -0.01 0.00 0.00 57.00 55.89 2gbk n GLN 47 Cb 0.30 -1.49 -0.06 0.00 0.00 0.00 0.00 30.24 29.00 2gbk n GLN 47 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2gbk s GLN 48 N -2.34 3.84 -0.03 -1.09 -0.21 -0.84 -0.81 119.66 118.18 2gbk s GLN 48 Ca 0.28 0.29 0.01 0.00 0.02 0.00 0.00 55.36 55.96 2gbk s GLN 48 Cb 0.20 -3.05 0.02 0.00 1.00 0.00 0.00 33.01 31.18 2gbk s GLN 48 CO 0.46 0.58 -0.02 1.03 -2.12 0.00 0.00 175.29 175.23 2gbk s ARG 49 N -1.69 0.46 -0.04 2.91 1.81 -0.57 -4.86 118.95 116.97 2gbk s ARG 49 Ca 0.31 -0.01 -0.02 0.00 -1.72 0.00 0.00 55.73 54.30 2gbk s ARG 49 Cb -0.15 -0.56 -0.04 0.00 -0.45 0.00 0.00 34.95 33.75 2gbk s ARG 49 CO 0.17 -0.09 0.07 -0.51 -0.68 0.00 0.00 175.30 174.26 2gbk s LEU 50 N 0.84 3.88 -0.04 2.53 1.43 -1.26 -1.47 118.68 124.59 2gbk s LEU 50 Ca -0.09 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 2gbk s LEU 50 Cb -0.13 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.96 2gbk s LEU 50 CO -0.01 0.31 -0.11 -0.63 0.23 0.00 0.00 176.35 176.14 2gbk s ILE 51 N -1.10 0.98 -0.05 -0.59 1.01 -0.11 -1.82 121.20 119.53 2gbk s ILE 51 Ca 0.20 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.39 2gbk s ILE 51 Cb -0.12 -0.88 0.03 0.00 0.01 0.00 0.00 42.46 41.50 2gbk s ILE 51 CO 0.10 0.30 0.00 0.12 0.00 0.00 0.00 174.94 175.46 2gbk s PHE 52 N 0.29 0.45 -1.44 3.97 5.36 -0.70 -1.00 117.98 124.91 2gbk s PHE 52 Ca -0.06 -0.05 -0.08 0.00 -0.96 0.00 0.00 56.93 55.78 2gbk s PHE 52 Cb -0.11 -0.57 0.04 0.00 -0.34 0.00 0.00 43.02 42.04 2gbk s PHE 52 CO 0.01 -0.20 0.64 0.00 -1.46 0.00 0.00 175.22 174.21 2gbk n ALA 53 N 4.56 -1.06 0.00 11.12 0.00 -1.26 -1.94 120.51 131.92 2gbk n ALA 53 Ca -0.18 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2gbk n ALA 53 Cb 0.50 -3.62 0.00 0.00 0.00 0.00 0.00 19.45 16.33 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 -1.43 2.69 3.86 0.00 0.00 -1.26 -5.02 105.19 104.02 2gbk n GLY 54 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2gbk n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gbk s LYS 55 N -0.18 3.36 0.08 1.61 -2.85 -0.82 -5.07 119.74 115.88 2gbk s LYS 55 Ca 0.00 -0.25 -0.30 0.00 -1.00 0.00 0.00 55.97 54.42 2gbk s LYS 55 Cb 0.00 -3.10 -0.05 0.00 -2.06 0.00 0.00 37.83 32.62 2gbk s LYS 55 CO 0.00 0.73 1.03 -1.14 0.10 0.00 0.00 175.35 176.06 2gbk s GLN 56 N -1.37 4.60 -0.15 1.78 0.74 -1.26 -1.72 119.66 122.28 2gbk s GLN 56 Ca 0.19 1.54 -0.17 0.00 0.05 0.00 0.00 55.36 56.97 2gbk s GLN 56 Cb -0.12 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 2gbk s GLN 56 CO 0.09 0.05 0.46 -0.51 -0.55 0.00 0.00 175.29 174.83 2gbk s LEU 57 N 0.37 4.23 0.23 3.68 1.43 -0.75 -4.99 118.68 122.88 2gbk s LEU 57 Ca 0.50 0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 54.27 2gbk s LEU 57 Cb -0.25 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.28 2gbk s LEU 57 CO 0.30 -0.04 0.49 -1.83 0.23 0.00 0.00 176.35 175.50 2gbk s GLU 58 N 0.91 3.64 0.36 1.70 -1.05 -1.26 -4.63 118.70 118.37 2gbk s GLU 58 Ca 0.24 -0.02 0.06 0.00 -0.15 0.00 0.00 54.97 55.10 2gbk s GLU 58 Cb -0.15 -2.72 0.67 0.00 -0.44 0.00 0.00 34.13 31.49 2gbk s GLU 58 CO 0.09 0.32 1.89 -0.44 0.95 0.00 0.00 175.26 178.07 2gbk h ASP 59 N 2.13 0.39 0.94 0.83 3.32 -1.98 -2.91 116.42 119.14 2gbk h ASP 59 Ca -0.47 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2gbk h ASP 59 Cb 1.18 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2gbk h ASP 59 CO 0.68 0.49 0.00 0.61 -1.72 0.00 0.00 179.24 179.31 2gbk n GLY 60 N -0.88 -1.47 3.92 2.75 0.00 -1.26 -2.70 105.19 105.55 2gbk n GLY 60 Ca 0.01 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 2gbk n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gbk s ARG 61 N -2.95 3.55 0.40 1.61 1.81 -1.10 -4.89 118.95 117.38 2gbk s ARG 61 Ca 0.16 0.00 0.02 0.00 -1.72 0.00 0.00 55.73 54.19 2gbk s ARG 61 Cb 0.19 -2.52 -0.01 0.00 -0.45 0.00 0.00 34.95 32.16 2gbk s ARG 61 CO 0.52 -0.00 0.59 0.95 -0.68 0.00 0.00 175.30 176.68 2gbk s THR 62 N -2.46 4.14 0.37 0.02 -4.23 -1.26 -1.26 115.64 110.96 2gbk s THR 62 Ca 0.45 -0.66 0.04 0.00 -1.18 0.00 0.00 61.69 60.33 2gbk s THR 62 Cb -0.10 -3.50 0.26 0.00 1.34 0.00 0.00 72.50 70.50 2gbk s THR 62 CO 0.38 -0.30 2.03 -0.07 -0.54 0.00 0.00 174.62 176.13 2gbk h LEU 63 N 0.60 0.63 -1.44 4.79 3.38 -1.29 -1.97 115.31 120.01 2gbk h LEU 63 Ca -0.46 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 2gbk h LEU 63 Cb 1.25 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2gbk h LEU 63 CO 0.56 0.46 -0.26 0.28 0.09 0.00 0.00 178.44 179.57 2gbk h SER 64 N 0.75 0.03 -0.52 -0.43 0.02 -1.65 -1.19 113.55 110.55 2gbk h SER 64 Ca 0.20 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.18 2gbk h SER 64 Cb -0.08 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 2gbk h SER 64 CO -0.04 0.29 0.34 0.44 -1.14 0.00 0.00 176.83 176.72 2gbk h ASP 65 N 0.03 0.50 -0.41 3.07 3.32 -1.65 -2.28 116.42 118.99 2gbk h ASP 65 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gbk h ASP 65 Cb 0.48 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2gbk h ASP 65 CO 0.03 0.34 0.00 -1.22 -1.72 0.00 0.00 179.24 176.68 2gbk n TYR 66 N -4.47 0.53 -3.72 4.55 4.01 -0.95 -4.96 117.16 112.15 2gbk n TYR 66 Ca 0.06 -0.27 -0.26 0.00 -0.16 0.00 0.00 57.90 57.27 2gbk n TYR 66 Cb 0.15 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.24 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 1.34 -5.43 -4.62 7.72 3.02 -0.86 -4.96 115.26 111.47 2gbk n ASN 67 Ca 0.19 -0.65 -0.42 0.00 -0.03 0.00 0.00 54.58 53.67 2gbk n ASN 67 Cb 0.57 -4.55 -0.03 0.00 -0.61 0.00 0.00 39.78 35.15 2gbk n ASN 67 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2gbk s ILE 68 N -3.33 4.63 0.55 2.41 1.01 -0.49 -5.01 121.20 120.97 2gbk s ILE 68 Ca 0.58 1.43 0.04 0.00 0.00 0.00 0.00 60.65 62.69 2gbk s ILE 68 Cb -0.27 -4.30 0.04 0.00 0.01 0.00 0.00 42.46 37.93 2gbk s ILE 68 CO 0.77 -0.41 0.31 0.00 0.00 0.00 0.00 174.94 175.61 2gbk s GLN 69 N 3.36 2.23 0.12 2.79 -2.07 -1.26 -4.57 119.66 120.27 2gbk s GLN 69 Ca 0.39 -2.18 -0.35 0.00 -1.82 0.00 0.00 55.36 51.40 2gbk s GLN 69 Cb -0.13 -1.93 -0.16 0.00 -1.09 0.00 0.00 33.01 29.70 2gbk s GLN 69 CO 0.15 -0.61 1.29 1.17 -1.32 0.00 0.00 175.29 175.97 2gbk n LYS 70 N -1.68 1.22 -1.42 9.60 3.00 -1.26 -1.64 118.16 125.98 2gbk n LYS 70 Ca -0.08 0.44 -0.14 0.00 -0.00 0.00 0.00 58.31 58.53 2gbk n LYS 70 Cb 0.65 -2.04 -0.06 0.00 0.00 0.00 0.00 35.03 33.58 2gbk n LYS 70 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2gbk n GLU 71 N 2.29 -1.03 -2.11 1.64 -0.58 0.33 -5.00 120.64 116.18 2gbk n GLU 71 Ca 0.17 1.00 -0.34 0.00 -0.42 0.00 0.00 57.16 57.57 2gbk n GLU 71 Cb 0.22 -5.12 0.01 0.00 -0.57 0.00 0.00 31.44 25.98 2gbk n GLU 71 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2gbk s SER 72 N -2.83 5.56 -0.19 1.62 0.01 -0.65 -4.78 113.70 112.45 2gbk s SER 72 Ca 0.00 2.10 -0.03 0.00 1.31 0.00 0.00 55.95 59.34 2gbk s SER 72 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 2gbk s SER 72 CO 0.00 -1.32 -0.07 -0.89 0.41 0.00 0.00 173.24 171.36 2gbk s THR 73 N -1.97 3.26 0.09 1.44 2.01 -1.26 -0.90 115.64 118.31 2gbk s THR 73 Ca 0.71 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 62.18 2gbk s THR 73 Cb -0.22 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 2gbk s THR 73 CO 0.31 0.46 0.13 -0.76 -0.69 0.00 0.00 174.62 174.08 2gbk s LEU 74 N 1.11 3.98 -0.16 4.42 1.43 0.26 -4.80 118.68 124.92 2gbk s LEU 74 Ca 0.01 0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 53.12 2gbk s LEU 74 Cb -0.15 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 2gbk s LEU 74 CO -0.01 0.15 -0.00 -1.00 0.23 0.00 0.00 176.35 175.72 2gbk s HIS 75 N -1.48 3.11 -0.19 0.29 3.76 -0.17 -1.40 115.29 119.21 2gbk s HIS 75 Ca 0.31 -0.13 -0.09 0.00 -0.15 0.00 0.00 55.06 55.00 2gbk s HIS 75 Cb -0.12 -1.99 -0.05 0.00 1.11 0.00 0.00 32.58 31.54 2gbk s HIS 75 CO 0.24 0.07 0.10 -1.17 -0.85 0.00 0.00 174.74 173.13 2gbk s LEU 76 N 0.27 4.02 0.11 0.89 2.96 0.17 -0.93 118.68 126.17 2gbk s LEU 76 Ca -0.01 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.10 2gbk s LEU 76 Cb -0.13 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2gbk s LEU 76 CO 0.02 0.18 -0.11 0.68 -1.32 0.00 0.00 176.35 175.80 2gbk s VAL 77 N 0.37 1.02 0.26 1.68 -7.23 -0.54 -4.17 120.40 111.79 2gbk s VAL 77 Ca 0.06 -1.71 -0.19 0.00 -1.81 0.00 0.00 61.98 58.33 2gbk s VAL 77 Cb -0.12 -1.45 -0.09 0.00 0.56 0.00 0.00 36.38 35.28 2gbk s VAL 77 CO -0.01 -0.57 0.75 -0.76 -0.31 0.00 0.00 175.10 174.20 2gbk s LEU 78 N -2.55 4.26 -0.22 1.32 1.43 -1.26 -1.52 118.68 120.14 2gbk s LEU 78 Ca 0.07 1.41 -0.04 0.00 -1.03 0.00 0.00 54.13 54.55 2gbk s LEU 78 Cb -0.02 -3.76 0.08 0.00 0.03 0.00 0.00 46.19 42.52 2gbk s LEU 78 CO 0.00 -0.04 0.14 -0.60 0.23 0.00 0.00 176.35 176.08 2gbk s ARG 79 N -2.27 0.14 0.00 1.70 3.52 0.01 -4.88 118.95 117.18 2gbk s ARG 79 Ca 0.47 -0.15 0.29 0.00 -0.13 0.00 0.00 55.73 56.20 2gbk s ARG 79 Cb -0.15 -1.44 1.72 0.00 -1.56 0.00 0.00 34.95 33.52 2gbk s ARG 79 CO 0.20 -0.79 2.05 1.28 -0.81 0.00 0.00 175.30 177.24