#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f77 n GLY 2 N 0.00 0.65 3.29 3.03 0.00 -1.26 -5.03 105.19 105.87 2f77 n GLY 2 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2f77 n GLY 2 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2f77 s GLN 3 N -0.20 1.17 0.51 1.61 0.74 -1.26 -5.12 119.66 117.11 2f77 s GLN 3 Ca 0.00 -1.47 -0.22 0.00 0.05 0.00 0.00 55.36 53.72 2f77 s GLN 3 Cb 0.00 -0.91 -0.06 0.00 1.10 0.00 0.00 33.01 33.15 2f77 s GLN 3 CO 0.00 0.15 1.28 -1.21 -0.55 0.00 0.00 175.29 174.95 2f77 s GLU 4 N -3.48 3.39 -0.57 1.67 2.02 -1.26 -4.95 118.70 115.53 2f77 s GLU 4 Ca 0.18 2.04 -0.20 0.00 0.02 0.00 0.00 54.97 57.01 2f77 s GLU 4 Cb -0.00 -2.31 0.08 0.00 0.10 0.00 0.00 34.13 31.99 2f77 s GLU 4 CO 0.04 -0.93 0.74 -0.51 0.02 0.00 0.00 175.26 174.62 2f77 s LEU 5 N -3.33 4.94 0.75 1.80 1.43 -1.26 -5.00 118.68 118.00 2f77 s LEU 5 Ca 0.68 -1.06 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 2f77 s LEU 5 Cb -0.35 -2.43 0.08 0.00 0.03 0.00 0.00 46.19 43.52 2f77 s LEU 5 CO 0.42 -1.10 1.06 -0.94 0.23 0.00 0.00 176.35 176.02 2f77 s SER 6 N 3.22 4.55 0.24 2.29 1.04 -1.26 -4.77 113.70 119.01 2f77 s SER 6 Ca 0.16 0.39 -0.05 0.00 0.48 0.00 0.00 55.95 56.94 2f77 s SER 6 Cb -0.20 -0.94 0.35 0.00 0.10 0.00 0.00 66.02 65.33 2f77 s SER 6 CO 0.10 -1.78 1.86 -0.61 0.98 0.00 0.00 173.24 173.79 2f77 h GLN 7 N -0.76 0.97 -0.48 4.02 4.15 -1.98 0.23 115.11 121.27 2f77 h GLN 7 Ca -0.44 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 58.85 2f77 h GLN 7 Cb 1.30 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 2f77 h GLN 7 CO 0.57 0.64 0.00 1.25 -1.93 0.00 0.00 178.83 179.36 2f77 h HIS 8 N 1.00 0.92 -0.47 3.99 2.76 -1.99 -0.13 115.15 121.23 2f77 h HIS 8 Ca 0.38 -0.16 -0.10 0.00 -2.20 0.00 0.00 60.37 58.29 2f77 h HIS 8 Cb 0.17 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 2f77 h HIS 8 CO -0.03 0.87 -0.13 0.93 -1.30 0.00 0.00 177.93 178.28 2f77 h GLU 9 N 0.70 0.87 -0.20 5.26 5.08 -1.67 -2.69 114.58 121.93 2f77 h GLU 9 Ca 0.14 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 58.06 2f77 h GLU 9 Cb 0.50 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2f77 h GLU 9 CO 0.02 0.95 -0.42 0.00 -1.00 0.00 0.00 179.01 178.56 2f77 h ARG 10 N 0.78 0.48 -0.09 2.33 3.08 -0.36 -1.73 114.38 118.87 2f77 h ARG 10 Ca 0.12 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 2f77 h ARG 10 Cb 0.64 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 2f77 h ARG 10 CO 0.04 0.82 0.05 -0.92 -1.07 0.00 0.00 179.97 178.90 2f77 h TYR 11 N 0.40 0.13 -0.11 3.04 3.20 -0.72 -1.76 116.97 121.14 2f77 h TYR 11 Ca 0.03 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 2f77 h TYR 11 Cb 0.90 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 2f77 h TYR 11 CO 0.03 0.14 -0.36 -0.39 -1.64 0.00 0.00 178.16 175.94 2f77 h VAL 12 N 0.07 1.29 -0.44 1.81 -1.51 -1.44 -2.81 116.25 113.22 2f77 h VAL 12 Ca 0.03 -1.40 0.01 0.00 -1.23 0.00 0.00 66.70 64.11 2f77 h VAL 12 Cb 0.06 1.61 -0.03 0.00 -2.13 0.00 0.00 31.29 30.80 2f77 h VAL 12 CO -0.01 0.42 0.28 -0.08 -1.23 0.00 0.00 177.57 176.95 2f77 h GLU 13 N 0.20 0.54 -0.63 5.19 4.81 -0.79 -0.82 114.58 123.08 2f77 h GLU 13 Ca 0.02 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2f77 h GLU 13 Cb 0.74 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 2f77 h GLU 13 CO 0.06 0.36 0.27 0.37 -0.73 0.00 0.00 179.01 179.34 2f77 h GLN 14 N 0.56 0.92 -0.70 1.92 4.15 -1.13 -2.06 115.11 118.77 2f77 h GLN 14 Ca 0.17 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 2f77 h GLN 14 Cb -0.03 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.47 2f77 h GLN 14 CO -0.06 0.74 0.38 1.25 -1.93 0.00 0.00 178.83 179.21 2f77 h LEU 15 N 0.91 0.88 -0.66 -2.39 5.85 -1.06 -2.35 115.31 116.48 2f77 h LEU 15 Ca 0.22 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.90 2f77 h LEU 15 Cb 0.15 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 2f77 h LEU 15 CO -0.02 0.72 0.36 0.50 -0.34 0.00 0.00 178.44 179.66 2f77 h LYS 16 N 0.96 0.63 -0.78 1.25 3.64 -0.48 -0.82 116.57 120.97 2f77 h LYS 16 Ca 0.24 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.68 2f77 h LYS 16 Cb 0.05 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 31.65 2f77 h LYS 16 CO -0.04 0.42 0.43 1.96 -2.27 0.00 0.00 179.45 179.95 2f77 h GLN 17 N 0.65 0.71 -0.61 1.90 1.08 -1.10 0.83 115.11 118.57 2f77 h GLN 17 Ca 0.30 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.41 2f77 h GLN 17 Cb 0.22 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 2f77 h GLN 17 CO -0.20 0.47 0.18 0.00 -0.95 0.00 0.00 178.83 178.33 2f77 h ALA 18 N 1.44 1.17 -0.54 3.87 0.00 -0.96 -2.26 119.26 121.99 2f77 h ALA 18 Ca 0.38 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2f77 h ALA 18 Cb 0.35 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2f77 h ALA 18 CO -0.25 0.57 0.14 -0.07 0.00 0.00 0.00 179.25 179.64 2f77 h LEU 19 N 0.89 0.77 -0.95 0.00 3.38 0.29 -2.26 115.31 117.44 2f77 h LEU 19 Ca 0.20 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2f77 h LEU 19 Cb 0.27 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 2f77 h LEU 19 CO -0.01 0.75 0.61 0.11 0.09 0.00 0.00 178.44 179.99 2f77 h LYS 20 N 0.80 1.14 -0.07 1.13 1.57 -0.50 -0.27 116.57 120.35 2f77 h LYS 20 Ca 0.18 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2f77 h LYS 20 Cb 0.28 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2f77 h LYS 20 CO -0.00 0.75 -0.28 1.79 -0.57 0.00 0.00 179.45 181.13 2f77 h THR 21 N 1.17 1.24 0.00 -0.16 1.35 -1.26 -1.46 112.91 113.79 2f77 h THR 21 Ca 0.38 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 2f77 h THR 21 Cb 0.04 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2f77 h THR 21 CO -0.13 0.33 0.00 0.03 -0.25 0.00 0.00 175.52 175.49 2f77 h ARG 22 N 0.12 0.00 0.00 4.72 3.08 -0.72 -3.46 114.38 118.12 2f77 h ARG 22 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2f77 h ARG 22 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2f77 h ARG 22 CO 0.04 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 2f77 n GLY 23 N 0.34 0.87 3.18 0.04 0.00 -0.55 -5.11 105.19 103.97 2f77 n GLY 23 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2f77 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f77 s VAL 24 N -0.99 1.76 -0.35 1.61 1.01 -0.80 -4.98 120.40 117.67 2f77 s VAL 24 Ca 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 2f77 s VAL 24 Cb 0.00 -1.52 0.12 0.00 0.00 0.00 0.00 36.38 34.98 2f77 s VAL 24 CO 0.00 0.50 0.16 -0.54 0.00 0.00 0.00 175.10 175.21 2f77 s LYS 25 N 0.16 0.76 0.10 2.72 1.02 -1.26 -4.07 119.74 119.17 2f77 s LYS 25 Ca -0.10 -1.28 0.02 0.00 0.02 0.00 0.00 55.97 54.63 2f77 s LYS 25 Cb -0.15 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 2f77 s LYS 25 CO 0.05 -1.07 -0.08 0.14 -0.92 0.00 0.00 175.35 173.47 2f77 s VAL 26 N 1.27 0.76 0.40 3.17 -7.23 -1.26 -4.98 120.40 112.53 2f77 s VAL 26 Ca 0.13 -1.80 -0.24 0.00 -1.81 0.00 0.00 61.98 58.26 2f77 s VAL 26 Cb -0.20 -1.52 -0.09 0.00 0.56 0.00 0.00 36.38 35.13 2f77 s VAL 26 CO -0.16 -0.76 1.10 -0.54 -0.31 0.00 0.00 175.10 174.43 2f77 s LYS 27 N -3.40 4.10 0.43 4.82 1.02 -1.26 -4.91 119.74 120.55 2f77 s LYS 27 Ca 0.09 1.65 0.13 0.00 0.02 0.00 0.00 55.97 57.85 2f77 s LYS 27 Cb 0.02 -2.59 1.01 0.00 -0.52 0.00 0.00 37.83 35.75 2f77 s LYS 27 CO -0.03 -0.23 2.00 -0.92 -0.92 0.00 0.00 175.35 175.25 2f77 h TYR 28 N 2.53 0.43 -0.56 3.18 3.20 -2.01 0.12 116.97 123.86 2f77 h TYR 28 Ca -0.48 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.45 2f77 h TYR 28 Cb 1.22 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 2f77 h TYR 28 CO 0.56 0.22 0.37 0.00 -1.64 0.00 0.00 178.16 177.68 2f77 h ALA 29 N 1.72 1.81 -0.93 1.82 0.00 -1.98 -0.92 119.26 120.78 2f77 h ALA 29 Ca 0.24 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2f77 h ALA 29 Cb 0.41 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2f77 h ALA 29 CO -0.06 0.10 0.62 -0.44 0.00 0.00 0.00 179.25 179.47 2f77 h ASP 30 N 0.56 1.06 -0.49 0.00 3.32 -1.33 -0.14 116.42 119.40 2f77 h ASP 30 Ca 0.24 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2f77 h ASP 30 Cb 0.23 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2f77 h ASP 30 CO -0.07 0.76 0.26 -0.07 -1.72 0.00 0.00 179.24 178.41 2f77 h LEU 31 N 1.25 0.62 -0.57 1.55 -0.00 -1.21 0.10 115.31 117.05 2f77 h LEU 31 Ca 0.35 -0.10 -0.04 0.00 -0.00 0.00 0.00 57.88 58.08 2f77 h LEU 31 Cb -0.12 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.36 2f77 h LEU 31 CO -0.08 0.54 0.18 -0.07 -0.00 0.00 0.00 178.44 179.01 2f77 h LEU 32 N 0.65 0.82 -0.85 1.67 3.38 -1.15 -2.51 115.31 117.32 2f77 h LEU 32 Ca 0.17 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2f77 h LEU 32 Cb 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2f77 h LEU 32 CO -0.03 0.81 -0.07 0.11 0.09 0.00 0.00 178.44 179.36 2f77 h LYS 33 N 0.79 0.78 0.04 1.13 1.57 -0.69 -1.78 116.57 118.43 2f77 h LYS 33 Ca 0.18 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2f77 h LYS 33 Cb 0.28 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2f77 h LYS 33 CO -0.01 0.83 -0.06 0.35 -0.57 0.00 0.00 179.45 180.00 2f77 h PHE 34 N 0.72 -0.14 -0.62 -1.35 3.57 -0.42 0.45 116.94 119.15 2f77 h PHE 34 Ca 0.13 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2f77 h PHE 34 Cb 0.53 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 2f77 h PHE 34 CO 0.03 -0.09 0.23 0.74 -2.23 0.00 0.00 178.31 176.99 2f77 h PHE 35 N -0.12 0.95 -0.62 0.41 0.04 -1.34 -1.83 116.94 114.43 2f77 h PHE 35 Ca 0.01 -0.08 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 2f77 h PHE 35 Cb 0.13 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 2f77 h PHE 35 CO -0.11 0.76 0.12 -0.44 -0.60 0.00 0.00 178.31 178.05 2f77 h ASP 36 N 0.87 0.95 -0.30 2.17 3.32 -0.92 -1.95 116.42 120.56 2f77 h ASP 36 Ca 0.20 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2f77 h ASP 36 Cb 0.23 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2f77 h ASP 36 CO -0.01 0.94 0.14 0.15 -1.72 0.00 0.00 179.24 178.73 2f77 h PHE 37 N 0.95 0.44 0.01 4.55 3.57 0.32 0.20 116.94 126.97 2f77 h PHE 37 Ca 0.20 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 2f77 h PHE 37 Cb 0.38 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2f77 h PHE 37 CO 0.03 0.40 -0.00 0.28 -2.23 0.00 0.00 178.31 176.78 2f77 h VAL 38 N 0.35 1.04 -0.13 1.41 2.07 -1.12 -1.60 116.25 118.27 2f77 h VAL 38 Ca 0.10 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 2f77 h VAL 38 Cb 0.13 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2f77 h VAL 38 CO -0.01 0.04 -0.10 0.11 0.02 0.00 0.00 177.57 177.63 2f77 h LYS 39 N -0.07 0.20 0.00 1.57 1.57 -1.23 -0.90 116.57 117.70 2f77 h LYS 39 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2f77 h LYS 39 Cb 0.07 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2f77 h LYS 39 CO 0.00 0.31 0.00 -0.44 -0.57 0.00 0.00 179.45 178.75 2f77 h ASP 40 N 0.19 0.00 0.44 0.86 3.32 0.06 -2.73 116.42 118.56 2f77 h ASP 40 Ca 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2f77 h ASP 40 Cb 0.30 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2f77 h ASP 40 CO 0.02 0.00 -0.49 0.74 -1.72 0.00 0.00 179.24 177.79 2f77 h THR 41 N 0.00 0.05 0.00 0.35 2.02 -0.22 -3.22 112.91 111.89 2f77 h THR 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2f77 h THR 41 Cb 0.50 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2f77 h THR 41 CO 0.00 0.00 -0.49 0.00 0.37 0.00 0.00 175.52 175.40 2f77 h PRO 43 N -0.49 0.07 0.00 0.00 0.11 -1.71 -3.43 132.00 126.55 2f77 h PRO 43 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2f77 h PRO 43 Cb 0.49 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2f77 h PRO 43 CO 0.00 0.05 0.00 0.91 -0.21 0.00 0.00 178.00 178.75 2f77 n TRP 44 N -5.27 0.00 -2.67 0.65 8.01 -1.15 -5.01 117.44 112.00 2f77 n TRP 44 Ca 0.33 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.47 2f77 n TRP 44 Cb 1.08 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 30.39 2f77 n TRP 44 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 2f77 n PHE 45 N 0.00 -0.78 -1.25 -5.99 -0.00 -1.22 -4.25 117.46 103.98 2f77 n PHE 45 Ca 0.00 -0.95 -0.29 0.00 -0.00 0.00 0.00 57.45 56.21 2f77 n PHE 45 Cb 0.00 1.26 0.15 0.00 -0.00 0.00 0.00 39.48 40.88 2f77 n PHE 45 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 2f77 s PRO 46 N 0.06 1.07 0.35 -7.13 0.04 -1.26 -4.96 135.00 123.17 2f77 s PRO 46 Ca 0.07 0.68 -0.29 0.00 0.04 0.00 0.00 61.00 61.50 2f77 s PRO 46 Cb 0.13 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.76 2f77 s PRO 46 CO -0.03 -2.33 1.51 1.04 0.04 0.00 0.00 177.00 177.22 2f77 n GLN 47 N -3.93 2.66 -2.67 4.56 1.13 -1.26 -4.94 117.38 112.94 2f77 n GLN 47 Ca 0.06 0.94 -0.41 0.00 -1.94 0.00 0.00 57.00 55.65 2f77 n GLN 47 Cb 0.56 -2.67 -0.05 0.00 0.11 0.00 0.00 30.24 28.19 2f77 n GLN 47 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2f77 s GLU 48 N -1.68 4.70 0.26 -1.09 2.02 -1.26 -5.05 118.70 116.60 2f77 s GLU 48 Ca 0.56 1.54 0.01 0.00 0.02 0.00 0.00 54.97 57.10 2f77 s GLU 48 Cb -0.49 -3.33 0.05 0.00 0.10 0.00 0.00 34.13 30.47 2f77 s GLU 48 CO 0.60 0.24 0.36 0.41 0.02 0.00 0.00 175.26 176.88 2f77 n GLY 49 N 2.02 1.11 3.77 -1.39 0.00 -1.26 -5.04 105.19 104.40 2f77 n GLY 49 Ca 0.01 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 2f77 n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f77 s THR 50 N -0.83 2.70 -0.05 2.61 2.01 -1.26 -5.02 115.64 115.80 2f77 s THR 50 Ca 0.25 0.66 0.04 0.00 0.31 0.00 0.00 61.69 62.94 2f77 s THR 50 Cb -0.02 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.09 2f77 s THR 50 CO 0.16 0.13 -0.15 -0.51 -0.69 0.00 0.00 174.62 173.56 2f77 s ILE 51 N -1.21 1.28 0.30 1.82 -1.16 -1.26 -5.11 121.20 115.86 2f77 s ILE 51 Ca 0.53 -0.61 -0.29 0.00 -0.51 0.00 0.00 60.65 59.76 2f77 s ILE 51 Cb -0.38 -1.11 -0.10 0.00 0.61 0.00 0.00 42.46 41.47 2f77 s ILE 51 CO 0.50 0.38 1.43 -1.81 -2.81 0.00 0.00 174.94 172.63 2f77 s ASP 52 N 0.21 6.60 0.48 4.50 1.01 -1.26 -4.88 116.67 123.33 2f77 s ASP 52 Ca -0.07 2.77 0.27 0.00 0.71 0.00 0.00 52.55 56.24 2f77 s ASP 52 Cb -0.12 -2.64 1.12 0.00 1.01 0.00 0.00 42.92 42.29 2f77 s ASP 52 CO 0.02 -0.71 1.90 0.40 0.21 0.00 0.00 175.17 177.00 2f77 h ILE 53 N 3.28 0.41 -0.64 0.77 2.04 -2.00 -2.87 117.51 118.52 2f77 h ILE 53 Ca -0.48 -0.88 -0.08 0.00 1.00 0.00 0.00 64.86 64.42 2f77 h ILE 53 Cb 1.22 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.92 2f77 h ILE 53 CO 0.72 0.15 0.08 0.11 0.00 0.00 0.00 178.15 179.21 2f77 h LYS 54 N 0.00 1.06 0.00 2.37 1.79 -1.96 -2.28 116.57 117.55 2f77 h LYS 54 Ca -0.00 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2f77 h LYS 54 Cb 0.63 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2f77 h LYS 54 CO 0.02 0.99 -0.17 0.34 -1.08 0.00 0.00 179.45 179.56 2f77 n PHE 55 N -4.21 0.02 -0.27 -1.35 -0.00 -1.10 -3.70 117.46 106.86 2f77 n PHE 55 Ca 0.04 0.01 0.02 0.00 -0.00 0.00 0.00 57.45 57.52 2f77 n PHE 55 Cb 0.30 -0.43 0.23 0.00 -0.00 0.00 0.00 39.48 39.59 2f77 n PHE 55 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.76 179.11 2f77 h TRP 56 N 0.00 1.01 -0.83 -5.13 7.01 -1.22 -1.55 115.95 115.25 2f77 h TRP 56 Ca 0.00 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 2f77 h TRP 56 Cb 0.51 -0.34 -0.04 0.00 -2.10 0.00 0.00 29.16 27.19 2f77 h TRP 56 CO 0.00 0.59 0.41 0.00 -2.79 0.00 0.00 178.44 176.65 2f77 h ARG 57 N 1.05 1.18 -0.57 2.65 3.08 -1.69 -1.90 114.38 118.18 2f77 h ARG 57 Ca 0.34 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 2f77 h ARG 57 Cb 0.03 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2f77 h ARG 57 CO -0.10 0.90 -0.01 0.00 -1.07 0.00 0.00 179.97 179.68 2f77 h ARG 58 N 1.17 1.00 -0.55 0.04 3.08 -1.53 -2.11 114.38 115.48 2f77 h ARG 58 Ca 0.29 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2f77 h ARG 58 Cb 0.09 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2f77 h ARG 58 CO -0.04 0.99 0.28 0.28 -1.07 0.00 0.00 179.97 180.41 2f77 h VAL 59 N 0.91 1.19 0.06 2.04 2.07 -0.85 0.18 116.25 121.86 2f77 h VAL 59 Ca 0.16 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2f77 h VAL 59 Cb 0.55 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2f77 h VAL 59 CO 0.03 0.21 -0.03 1.23 0.02 0.00 0.00 177.57 179.03 2f77 h GLY 60 N 0.74 -0.09 1.01 2.17 0.00 -1.14 0.29 103.07 106.05 2f77 h GLY 60 Ca 0.19 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 2f77 h GLY 60 CO -0.03 -0.03 0.40 -0.55 0.00 0.00 0.00 176.54 176.33 2f77 h ASP 61 N -0.20 0.94 0.17 0.19 3.32 -1.20 0.27 116.42 119.91 2f77 h ASP 61 Ca -0.01 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2f77 h ASP 61 Cb 0.17 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2f77 h ASP 61 CO 0.01 0.78 -0.08 0.00 -1.72 0.00 0.00 179.24 178.23 2f77 h PHE 63 N -0.50 1.07 -0.67 0.00 -1.00 -0.26 -1.50 116.94 114.09 2f77 h PHE 63 Ca -0.02 -0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.70 2f77 h PHE 63 Cb 0.38 -0.35 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 2f77 h PHE 63 CO 0.01 0.72 0.20 0.37 -1.61 0.00 0.00 178.31 178.00 2f77 h GLN 64 N 1.11 1.03 -0.36 1.51 4.15 -0.35 0.37 115.11 122.57 2f77 h GLN 64 Ca 0.29 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 2f77 h GLN 64 Cb -0.03 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 2f77 h GLN 64 CO -0.05 0.89 0.12 -0.44 -1.93 0.00 0.00 178.83 177.41 2f77 h ASP 65 N 0.99 0.52 0.35 -0.69 3.32 -0.27 -2.44 116.42 118.21 2f77 h ASP 65 Ca 0.22 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 2f77 h ASP 65 Cb 0.30 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2f77 h ASP 65 CO -0.01 0.58 -0.39 1.88 -1.72 0.00 0.00 179.24 179.59 2f77 h TYR 66 N 0.43 0.07 0.51 4.55 0.05 -0.99 -1.66 116.97 119.92 2f77 h TYR 66 Ca 0.12 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 2f77 h TYR 66 Cb 0.25 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2f77 h TYR 66 CO 0.01 0.44 -0.24 -0.92 -1.05 0.00 0.00 178.16 176.40 2f77 h TYR 67 N 0.05 -0.63 -0.37 4.88 3.20 -0.46 0.20 116.97 123.83 2f77 h TYR 67 Ca 0.00 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 2f77 h TYR 67 Cb 0.72 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 2f77 h TYR 67 CO 0.00 -0.38 -0.17 -0.97 -1.64 0.00 0.00 178.16 175.00 2f77 h ASN 68 N -0.70 0.69 -0.23 -2.11 -1.24 -1.42 2.23 115.58 112.80 2f77 h ASN 68 Ca -0.07 -0.22 -0.02 0.00 0.71 0.00 0.00 56.30 56.70 2f77 h ASN 68 Cb 0.53 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 2f77 h ASN 68 CO 0.11 0.87 0.08 0.74 -1.29 0.00 0.00 177.43 177.94 2f77 h THR 69 N 0.62 1.19 0.00 -3.57 2.02 -1.04 -3.39 112.91 108.73 2f77 h THR 69 Ca 0.10 -0.59 -0.14 0.00 0.77 0.00 0.00 66.41 66.56 2f77 h THR 69 Cb 0.64 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 2f77 h THR 69 CO 0.05 0.19 -1.30 0.49 0.37 0.00 0.00 175.52 175.32 2f77 n PHE 70 N -4.78 0.00 0.00 3.16 3.72 0.68 -5.08 117.46 115.16 2f77 n PHE 70 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2f77 n PHE 70 Cb 0.15 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 2f77 n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2f77 n GLY 71 N 2.43 0.97 0.15 1.37 0.00 0.75 -4.84 105.19 106.02 2f77 n GLY 71 Ca -0.17 -1.90 0.13 0.00 0.00 0.00 0.00 46.02 44.07 2f77 n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f77 h PRO 72 N 3.31 0.00 0.43 1.61 0.13 -1.79 -3.25 132.00 132.43 2f77 h PRO 72 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2f77 h PRO 72 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2f77 h PRO 72 CO 0.00 0.00 -0.21 0.93 -0.23 0.00 0.00 178.00 178.49 2f77 h GLU 73 N 0.00 -0.55 -0.44 0.86 5.08 -1.93 0.34 114.58 117.93 2f77 h GLU 73 Ca 0.00 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2f77 h GLU 73 Cb 0.44 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2f77 h GLU 73 CO 0.00 -0.34 0.17 0.87 -1.00 0.00 0.00 179.01 178.72 2f77 h LYS 74 N -0.63 0.66 -1.89 2.33 1.79 -1.90 -3.40 116.57 113.54 2f77 h LYS 74 Ca -0.06 -0.12 -0.35 0.00 -2.18 0.00 0.00 60.65 57.94 2f77 h LYS 74 Cb 0.47 -0.11 -0.30 0.00 -1.58 0.00 0.00 32.23 30.71 2f77 h LYS 74 CO 0.10 0.61 -0.67 0.14 -1.08 0.00 0.00 179.45 178.55 2f77 s VAL 75 N -5.54 -0.37 0.37 0.50 -7.23 -1.13 -4.94 120.40 102.06 2f77 s VAL 75 Ca -0.13 -0.92 -0.06 0.00 -1.81 0.00 0.00 61.98 59.06 2f77 s VAL 75 Cb 0.11 -0.64 0.08 0.00 0.56 0.00 0.00 36.38 36.49 2f77 s VAL 75 CO 0.76 -0.55 0.51 -0.81 -0.31 0.00 0.00 175.10 174.70 2f77 n PRO 76 N 4.28 -0.41 0.20 4.82 -0.04 0.12 -4.51 135.00 139.45 2f77 n PRO 76 Ca 0.11 -0.84 0.14 0.00 -0.04 0.00 0.00 63.50 62.88 2f77 n PRO 76 Cb 0.46 -0.51 0.69 0.00 -0.04 0.00 0.00 33.50 34.10 2f77 n PRO 76 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2f77 h VAL 77 N -1.21 0.00 -0.43 0.52 -1.51 -1.99 -2.37 116.25 109.26 2f77 h VAL 77 Ca -0.16 -0.16 0.06 0.00 -1.23 0.00 0.00 66.70 65.21 2f77 h VAL 77 Cb 0.47 0.90 -0.02 0.00 -2.13 0.00 0.00 31.29 30.51 2f77 h VAL 77 CO 0.12 0.00 0.29 0.00 -1.23 0.00 0.00 177.57 176.75 2f77 h THR 78 N 0.00 0.94 -0.72 7.19 1.03 -1.95 -1.27 112.91 118.13 2f77 h THR 78 Ca 0.00 -0.10 0.01 0.00 -0.01 0.00 0.00 66.41 66.30 2f77 h THR 78 Cb 0.20 0.61 -0.04 0.00 -1.07 0.00 0.00 68.15 67.86 2f77 h THR 78 CO 0.00 0.06 0.47 0.00 -0.01 0.00 0.00 175.52 176.04 2f77 h ALA 79 N 1.77 0.92 -0.60 0.00 0.00 -1.77 -1.47 119.26 118.11 2f77 h ALA 79 Ca 0.19 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2f77 h ALA 79 Cb 0.36 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2f77 h ALA 79 CO -0.04 0.35 0.11 0.74 0.00 0.00 0.00 179.25 180.41 2f77 h PHE 80 N 0.98 1.05 -0.21 0.00 -1.00 -1.43 -0.14 116.94 116.19 2f77 h PHE 80 Ca 0.26 -0.14 0.01 0.00 2.81 0.00 0.00 57.97 60.91 2f77 h PHE 80 Cb -0.10 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.15 2f77 h PHE 80 CO -0.02 0.90 0.13 0.77 -1.61 0.00 0.00 178.31 178.48 2f77 h SER 81 N 0.90 0.21 -0.41 2.17 0.02 -1.11 0.25 113.55 115.58 2f77 h SER 81 Ca 0.18 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 2f77 h SER 81 Cb 0.41 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2f77 h SER 81 CO 0.01 0.16 0.05 1.88 -1.14 0.00 0.00 176.83 177.78 2f77 h TYR 82 N 0.27 0.75 -0.58 3.45 0.05 -1.12 -2.65 116.97 117.13 2f77 h TYR 82 Ca 0.08 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 2f77 h TYR 82 Cb -0.01 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.50 2f77 h TYR 82 CO -0.07 0.74 0.29 2.35 -1.05 0.00 0.00 178.16 180.41 2f77 h TRP 83 N 0.54 0.81 -0.74 4.88 2.91 -0.67 -1.99 115.95 121.69 2f77 h TRP 83 Ca 0.12 -0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.18 2f77 h TRP 83 Cb 0.41 -0.26 -0.06 0.00 -0.51 0.00 0.00 29.16 28.74 2f77 h TRP 83 CO 0.03 0.59 0.43 -0.91 -1.03 0.00 0.00 178.44 177.55 2f77 h ASN 84 N 0.82 0.65 -0.64 2.65 2.35 -0.16 0.99 115.58 122.24 2f77 h ASN 84 Ca 0.20 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 2f77 h ASN 84 Cb 0.07 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2f77 h ASN 84 CO -0.03 0.41 0.16 -0.07 -1.65 0.00 0.00 177.43 176.26 2f77 h LEU 85 N 0.78 0.97 -0.74 1.61 3.38 -1.20 -2.71 115.31 117.40 2f77 h LEU 85 Ca 0.33 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2f77 h LEU 85 Cb 0.19 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2f77 h LEU 85 CO -0.18 0.94 0.35 0.40 0.09 0.00 0.00 178.44 180.04 2f77 h ILE 86 N 0.95 1.24 -1.01 1.22 1.08 -0.72 -1.95 117.51 118.32 2f77 h ILE 86 Ca 0.20 -0.69 0.07 0.00 -0.39 0.00 0.00 64.86 64.06 2f77 h ILE 86 Cb 0.35 0.32 -0.07 0.00 -3.07 0.00 0.00 36.82 34.35 2f77 h ILE 86 CO 0.00 0.29 0.65 0.50 -0.69 0.00 0.00 178.15 178.90 2f77 h LYS 87 N 1.04 1.12 -0.41 2.37 3.64 -0.55 -0.62 116.57 123.16 2f77 h LYS 87 Ca 0.25 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.43 2f77 h LYS 87 Cb 0.13 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2f77 h LYS 87 CO -0.03 0.74 -0.28 0.93 -2.27 0.00 0.00 179.45 178.53 2f77 h GLU 88 N 1.15 0.92 -0.30 1.90 5.08 -1.15 0.13 114.58 122.30 2f77 h GLU 88 Ca 0.44 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2f77 h GLU 88 Cb 0.22 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2f77 h GLU 88 CO -0.19 1.09 0.11 -0.07 -1.00 0.00 0.00 179.01 178.95 2f77 h LEU 89 N 0.74 0.43 -0.22 1.33 4.07 -0.56 0.93 115.31 122.03 2f77 h LEU 89 Ca 0.08 -0.19 -0.22 0.00 0.08 0.00 0.00 57.88 57.64 2f77 h LEU 89 Cb 0.87 -0.11 0.01 0.00 1.08 0.00 0.00 40.66 42.50 2f77 h LEU 89 CO 0.08 0.50 -0.78 0.16 -1.08 0.00 0.00 178.44 177.32 2f77 h ILE 90 N 0.33 1.31 -0.39 1.22 3.07 -1.13 -2.46 117.51 119.46 2f77 h ILE 90 Ca 0.10 -2.04 -0.02 0.00 1.55 0.00 0.00 64.86 64.44 2f77 h ILE 90 Cb 0.22 2.05 -0.02 0.00 -0.27 0.00 0.00 36.82 38.80 2f77 h ILE 90 CO -0.01 0.64 0.15 0.44 -1.05 0.00 0.00 178.15 178.32 2f77 h ASP 91 N 0.46 0.55 -0.39 2.16 3.32 -0.58 -2.90 116.42 119.03 2f77 h ASP 91 Ca -0.05 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 2f77 h ASP 91 Cb 1.40 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 2f77 h ASP 91 CO 0.15 0.58 0.20 0.11 -1.72 0.00 0.00 179.24 178.57 2f77 h LYS 92 N 0.48 0.56 -6.51 3.56 1.57 -0.82 -3.41 116.57 112.00 2f77 h LYS 92 Ca 0.13 -0.07 -0.53 0.00 -1.87 0.00 0.00 60.65 58.31 2f77 h LYS 92 Cb 0.21 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.44 2f77 h LYS 92 CO -0.01 0.47 0.86 0.15 -0.57 0.00 0.00 179.45 180.35 2f77 s LYS 93 N -5.79 4.25 -0.73 3.15 1.02 -0.93 -4.94 119.74 115.77 2f77 s LYS 93 Ca -0.13 2.21 -0.19 0.00 0.02 0.00 0.00 55.97 57.87 2f77 s LYS 93 Cb 0.10 -3.36 0.11 0.00 -0.52 0.00 0.00 37.83 34.16 2f77 s LYS 93 CO 0.74 -0.59 0.91 -1.21 -0.92 0.00 0.00 175.35 174.28 2f77 s GLU 94 N 1.72 3.28 0.39 1.68 2.02 -1.26 -4.89 118.70 121.64 2f77 s GLU 94 Ca 0.69 -1.42 0.06 0.00 0.02 0.00 0.00 54.97 54.32 2f77 s GLU 94 Cb -0.39 -4.47 -0.07 0.00 0.10 0.00 0.00 34.13 29.30 2f77 s GLU 94 CO 0.30 -1.67 0.02 0.54 0.02 0.00 0.00 175.26 174.48 2f77 s VAL 95 N 2.86 1.80 -0.55 2.63 0.11 -1.26 -5.10 120.40 120.89 2f77 s VAL 95 Ca 0.21 -2.00 0.04 0.00 -2.93 0.00 0.00 61.98 57.31 2f77 s VAL 95 Cb -0.15 -2.94 0.16 0.00 -1.53 0.00 0.00 36.38 31.93 2f77 s VAL 95 CO 0.01 0.00 0.39 0.21 -3.33 0.00 0.00 175.10 172.38 2f77 s ASN 96 N -3.67 3.31 0.00 3.54 3.84 -1.26 -5.09 114.94 115.62 2f77 s ASN 96 Ca 0.35 -3.34 0.00 0.00 0.21 0.00 0.00 52.86 50.08 2f77 s ASN 96 Cb 0.10 -1.07 0.00 0.00 -0.55 0.00 0.00 41.25 39.73 2f77 s ASN 96 CO 0.17 -0.15 0.00 -2.65 -2.79 0.00 0.00 177.10 171.68 2f77 n PRO 97 N 2.58 2.03 0.02 0.43 -0.02 -1.26 -4.91 135.00 133.88 2f77 n PRO 97 Ca 0.22 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.69 2f77 n PRO 97 Cb 0.40 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.87 2f77 n PRO 97 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2f77 h GLN 98 N 0.00 -0.06 -4.95 -0.52 4.20 -1.99 -3.43 115.11 108.36 2f77 h GLN 98 Ca 0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 2f77 h GLN 98 Cb 0.00 0.01 -0.33 0.00 0.30 0.00 0.00 27.48 27.46 2f77 h GLN 98 CO 0.00 -0.04 -0.85 0.08 -0.67 0.00 0.00 178.83 177.35 2f77 s VAL 99 N -2.88 1.63 0.00 -0.54 1.01 -1.26 -5.26 120.40 113.11 2f77 s VAL 99 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2f77 s VAL 99 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.93 2f77 s VAL 99 CO 0.03 0.47 0.00 0.23 0.00 0.00 0.00 175.10 175.82