#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 0.83 3.31 3.03 0.00 -1.26 -4.90 105.19 106.20 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 1.20 0.00 0.00 0.00 173.32 174.52 2f77 s GLN 3 N -0.06 1.24 0.53 1.61 -0.21 -1.26 -5.12 119.66 116.39 2f77 s GLN 3 Ca 0.00 -1.56 -0.22 0.00 0.02 0.00 0.00 55.36 53.60 2f77 s GLN 3 Cb 0.00 -0.86 -0.05 0.00 1.00 0.00 0.00 33.01 33.10 2f77 s GLN 3 CO 0.00 0.10 1.32 -1.21 -2.12 0.00 0.00 175.29 173.38 2f77 s GLU 4 N -3.72 3.24 -0.59 2.91 2.02 -1.26 -4.94 118.70 116.37 2f77 s GLU 4 Ca 0.21 2.14 -0.20 0.00 0.02 0.00 0.00 54.97 57.14 2f77 s GLU 4 Cb 0.02 -2.27 0.08 0.00 0.10 0.00 0.00 34.13 32.05 2f77 s GLU 4 CO 0.05 -1.08 0.77 -0.51 0.02 0.00 0.00 175.26 174.51 2f77 s LEU 5 N -3.46 4.91 0.75 1.80 1.43 -1.26 -4.99 118.68 117.85 2f77 s LEU 5 Ca 0.70 -1.10 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 2f77 s LEU 5 Cb -0.38 -2.41 0.07 0.00 0.03 0.00 0.00 46.19 43.50 2f77 s LEU 5 CO 0.45 -1.16 1.08 -0.94 0.23 0.00 0.00 176.35 176.01 2f77 s SER 6 N 3.35 4.66 0.24 2.29 1.04 -1.26 -4.73 113.70 119.29 2f77 s SER 6 Ca 0.17 0.55 -0.05 0.00 0.48 0.00 0.00 55.95 57.11 2f77 s SER 6 Cb -0.20 -1.13 0.41 0.00 0.10 0.00 0.00 66.02 65.19 2f77 s SER 6 CO 0.10 -1.74 1.78 1.56 0.98 0.00 0.00 173.24 175.92 2f77 h GLN 7 N -0.78 0.64 -0.47 4.02 4.20 -1.98 0.42 115.11 121.16 2f77 h GLN 7 Ca -0.45 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.18 2f77 h GLN 7 Cb 1.32 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 2f77 h GLN 7 CO 0.62 0.42 0.11 1.25 -0.67 0.00 0.00 178.83 180.56 2f77 h HIS 8 N 0.66 0.79 -0.25 2.96 2.76 -2.00 -1.17 115.15 118.88 2f77 h HIS 8 Ca 0.39 -0.10 -0.10 0.00 -2.20 0.00 0.00 60.37 58.36 2f77 h HIS 8 Cb 0.44 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 2f77 h HIS 8 CO -0.09 0.72 -0.28 0.93 -1.30 0.00 0.00 177.93 177.90 2f77 h GLU 9 N 0.63 0.50 -0.45 5.26 5.08 -1.57 -2.81 114.58 121.22 2f77 h GLU 9 Ca 0.15 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 2f77 h GLU 9 Cb 0.33 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2f77 h GLU 9 CO 0.00 0.74 -0.16 0.00 -1.00 0.00 0.00 179.01 178.59 2f77 h ARG 10 N 0.44 0.87 0.11 2.33 3.08 0.13 0.30 114.38 121.63 2f77 h ARG 10 Ca 0.06 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 2f77 h ARG 10 Cb 0.72 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2f77 h ARG 10 CO 0.06 0.96 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.95 2f77 h TYR 11 N 0.77 -0.13 -0.16 3.04 3.20 -0.98 -1.82 116.97 120.89 2f77 h TYR 11 Ca 0.12 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 2f77 h TYR 11 Cb 0.69 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 2f77 h TYR 11 CO 0.04 0.01 -0.36 -0.39 -1.64 0.00 0.00 178.16 175.82 2f77 h VAL 12 N -0.25 1.29 -0.80 1.81 -1.51 -1.47 -2.77 116.25 112.57 2f77 h VAL 12 Ca -0.01 -1.43 0.04 0.00 -1.23 0.00 0.00 66.70 64.06 2f77 h VAL 12 Cb 0.20 1.57 -0.05 0.00 -2.13 0.00 0.00 31.29 30.88 2f77 h VAL 12 CO 0.02 0.44 0.50 -0.08 -1.23 0.00 0.00 177.57 177.22 2f77 h GLU 13 N 0.28 0.93 -0.75 5.19 4.81 -0.60 -0.94 114.58 123.50 2f77 h GLU 13 Ca 0.03 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2f77 h GLU 13 Cb 0.77 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 2f77 h GLU 13 CO 0.06 0.62 0.25 0.37 -0.73 0.00 0.00 179.01 179.58 2f77 h GLN 14 N 0.96 1.15 -0.99 1.92 5.75 -1.06 -2.22 115.11 120.63 2f77 h GLN 14 Ca 0.33 -0.23 0.02 0.00 -0.15 0.00 0.00 58.65 58.61 2f77 h GLN 14 Cb 0.06 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.38 2f77 h GLN 14 CO -0.13 0.97 0.65 1.25 -2.65 0.00 0.00 178.83 178.92 2f77 h LEU 15 N 1.11 1.11 -0.58 -2.39 5.85 -1.03 -2.01 115.31 117.37 2f77 h LEU 15 Ca 0.25 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2f77 h LEU 15 Cb 0.28 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2f77 h LEU 15 CO -0.01 0.78 0.33 0.50 -0.34 0.00 0.00 178.44 179.70 2f77 h LYS 16 N 1.30 0.80 -0.68 1.25 3.64 -0.65 -1.16 116.57 121.07 2f77 h LYS 16 Ca 0.37 -0.09 0.07 0.00 -1.27 0.00 0.00 60.65 59.74 2f77 h LYS 16 Cb -0.09 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.51 2f77 h LYS 16 CO -0.10 0.61 0.36 1.96 -2.27 0.00 0.00 179.45 180.01 2f77 h GLN 17 N 0.78 0.62 -0.67 1.90 1.08 -0.92 0.29 115.11 118.19 2f77 h GLN 17 Ca 0.21 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.31 2f77 h GLN 17 Cb 0.03 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 2f77 h GLN 17 CO -0.03 0.41 0.18 0.00 -0.95 0.00 0.00 178.83 178.44 2f77 h ALA 18 N 1.38 0.88 -0.55 3.87 0.00 -1.02 -2.38 119.26 121.44 2f77 h ALA 18 Ca 0.32 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2f77 h ALA 18 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2f77 h ALA 18 CO -0.22 0.59 0.04 -0.07 0.00 0.00 0.00 179.25 179.60 2f77 h LEU 19 N 1.00 0.87 -0.86 0.00 3.38 0.04 -2.62 115.31 117.12 2f77 h LEU 19 Ca 0.21 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2f77 h LEU 19 Cb 0.35 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2f77 h LEU 19 CO -0.00 0.91 0.57 0.50 0.09 0.00 0.00 178.44 180.50 2f77 h LYS 20 N 0.85 1.14 -0.16 1.13 3.64 -0.06 -0.85 116.57 122.27 2f77 h LYS 20 Ca 0.17 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2f77 h LYS 20 Cb 0.44 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2f77 h LYS 20 CO 0.02 0.76 -0.06 1.79 -2.27 0.00 0.00 179.45 179.69 2f77 h THR 21 N 1.17 1.14 0.00 1.00 1.35 -1.09 -0.26 112.91 116.22 2f77 h THR 21 Ca 0.32 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2f77 h THR 21 Cb -0.13 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 2f77 h THR 21 CO -0.07 0.19 0.00 0.03 -0.25 0.00 0.00 175.52 175.42 2f77 h ARG 22 N 0.23 0.00 0.00 4.72 3.08 -0.86 -3.45 114.38 118.09 2f77 h ARG 22 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2f77 h ARG 22 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2f77 h ARG 22 CO 0.01 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 2f77 n GLY 23 N 0.28 0.94 3.22 0.04 0.00 -0.12 -5.11 105.19 104.44 2f77 n GLY 23 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.79 1.93 -0.35 1.61 1.01 -0.98 -4.97 120.40 117.85 2f77 s VAL 24 Ca 0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 2f77 s VAL 24 Cb 0.00 -1.65 0.12 0.00 0.00 0.00 0.00 36.38 34.85 2f77 s VAL 24 CO 0.00 0.54 0.18 -0.54 0.00 0.00 0.00 175.10 175.28 2f77 s LYS 25 N 0.07 0.70 0.17 2.72 1.02 -1.26 -4.20 119.74 118.96 2f77 s LYS 25 Ca -0.09 -1.31 0.05 0.00 0.02 0.00 0.00 55.97 54.64 2f77 s LYS 25 Cb -0.15 -1.66 -0.05 0.00 -0.52 0.00 0.00 37.83 35.46 2f77 s LYS 25 CO 0.05 -1.12 -0.08 0.14 -0.92 0.00 0.00 175.35 173.42 2f77 s VAL 26 N 1.18 1.18 0.47 3.17 -7.23 -1.26 -5.00 120.40 112.90 2f77 s VAL 26 Ca 0.15 -2.07 -0.22 0.00 -1.81 0.00 0.00 61.98 58.03 2f77 s VAL 26 Cb -0.21 -1.97 -0.07 0.00 0.56 0.00 0.00 36.38 34.69 2f77 s VAL 26 CO -0.11 -0.65 1.15 -0.54 -0.31 0.00 0.00 175.10 174.65 2f77 s LYS 27 N -3.76 3.74 0.32 4.82 1.02 -1.26 -4.92 119.74 119.69 2f77 s LYS 27 Ca 0.20 1.72 0.02 0.00 0.02 0.00 0.00 55.97 57.93 2f77 s LYS 27 Cb 0.03 -2.35 0.53 0.00 -0.52 0.00 0.00 37.83 35.52 2f77 s LYS 27 CO 0.03 -0.56 1.86 1.88 -0.92 0.00 0.00 175.35 177.65 2f77 h TYR 28 N 1.95 0.67 -0.57 3.18 -1.99 -2.00 -2.01 116.97 116.20 2f77 h TYR 28 Ca -0.49 -0.06 0.06 0.00 2.00 0.00 0.00 58.73 60.23 2f77 h TYR 28 Cb 1.25 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 39.75 2f77 h TYR 28 CO 0.53 0.60 0.38 0.00 -0.00 0.00 0.00 178.16 179.67 2f77 h ALA 29 N 1.45 1.83 -0.60 3.88 0.00 -1.91 -1.39 119.26 122.51 2f77 h ALA 29 Ca 0.14 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2f77 h ALA 29 Cb 0.29 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2f77 h ALA 29 CO 0.00 0.08 0.38 -0.44 0.00 0.00 0.00 179.25 179.27 2f77 h ASP 30 N 0.55 0.64 -0.36 0.00 3.32 -1.73 0.16 116.42 119.00 2f77 h ASP 30 Ca 0.24 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 2f77 h ASP 30 Cb 0.26 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2f77 h ASP 30 CO -0.07 0.45 0.18 -0.07 -1.72 0.00 0.00 179.24 178.01 2f77 h LEU 31 N 0.76 0.46 -0.58 1.55 -0.00 -1.31 0.44 115.31 116.62 2f77 h LEU 31 Ca 0.23 -0.11 -0.04 0.00 -0.00 0.00 0.00 57.88 57.97 2f77 h LEU 31 Cb -0.02 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 40.50 2f77 h LEU 31 CO -0.08 0.44 0.22 -0.07 -0.00 0.00 0.00 178.44 178.94 2f77 h LEU 32 N 0.44 0.81 -0.83 1.67 3.38 -1.11 -2.35 115.31 117.33 2f77 h LEU 32 Ca 0.12 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2f77 h LEU 32 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2f77 h LEU 32 CO -0.02 0.78 -0.37 0.11 0.09 0.00 0.00 178.44 179.03 2f77 h LYS 33 N 0.80 0.43 -0.21 1.13 1.57 -0.37 -2.65 116.57 117.28 2f77 h LYS 33 Ca 0.19 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2f77 h LYS 33 Cb 0.23 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2f77 h LYS 33 CO -0.01 0.74 0.09 0.35 -0.57 0.00 0.00 179.45 180.05 2f77 h PHE 34 N 0.36 0.16 -0.55 -1.35 3.57 0.36 0.31 116.94 119.81 2f77 h PHE 34 Ca 0.04 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2f77 h PHE 34 Cb 0.81 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 2f77 h PHE 34 CO 0.02 0.09 0.28 0.74 -2.23 0.00 0.00 178.31 177.22 2f77 h PHE 35 N 0.20 0.78 -0.64 0.41 0.04 -1.34 -1.16 116.94 115.23 2f77 h PHE 35 Ca 0.09 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 2f77 h PHE 35 Cb 0.04 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 2f77 h PHE 35 CO -0.10 0.59 0.27 -0.44 -0.60 0.00 0.00 178.31 178.03 2f77 h ASP 36 N 0.74 0.88 -0.62 2.17 3.32 -1.08 -2.54 116.42 119.29 2f77 h ASP 36 Ca 0.19 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2f77 h ASP 36 Cb 0.09 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2f77 h ASP 36 CO -0.03 0.80 0.40 0.15 -1.72 0.00 0.00 179.24 178.84 2f77 h PHE 37 N 0.90 0.80 -0.64 4.55 3.57 0.04 -1.18 116.94 124.99 2f77 h PHE 37 Ca 0.22 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.79 2f77 h PHE 37 Cb 0.18 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 2f77 h PHE 37 CO 0.01 0.52 0.34 0.28 -2.23 0.00 0.00 178.31 177.23 2f77 h VAL 38 N 0.85 0.94 -0.47 1.41 2.07 -0.86 -0.14 116.25 120.04 2f77 h VAL 38 Ca 0.23 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 2f77 h VAL 38 Cb -0.06 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 2f77 h VAL 38 CO -0.05 0.11 0.06 0.11 0.02 0.00 0.00 177.57 177.83 2f77 h LYS 39 N 0.62 0.74 0.00 1.57 1.57 -1.02 -1.62 116.57 118.42 2f77 h LYS 39 Ca 0.29 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2f77 h LYS 39 Cb 0.21 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2f77 h LYS 39 CO -0.19 0.71 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.93 2f77 h ASP 40 N 0.71 0.00 -0.07 0.86 3.32 0.13 -2.46 116.42 118.91 2f77 h ASP 40 Ca 0.15 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.24 2f77 h ASP 40 Cb 0.35 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 2f77 h ASP 40 CO 0.01 0.02 -0.20 0.74 -1.72 0.00 0.00 179.24 178.09 2f77 h THR 41 N 0.00 0.52 0.00 0.35 2.02 -0.12 -2.93 112.91 112.75 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 0.43 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2f77 h THR 41 CO 0.00 0.00 -0.28 0.00 0.37 0.00 0.00 175.52 175.62 2f77 h PRO 43 N -0.28 0.14 0.00 0.00 0.11 -1.66 -3.43 132.00 126.88 2f77 h PRO 43 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2f77 h PRO 43 Cb 0.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.36 2f77 h PRO 43 CO 0.00 0.09 0.00 0.91 -0.21 0.00 0.00 178.00 178.79 2f77 n TRP 44 N -5.05 0.00 0.00 0.65 8.01 -1.14 -5.00 117.44 114.92 2f77 n TRP 44 Ca 0.35 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.54 2f77 n TRP 44 Cb 1.20 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.50 2f77 n TRP 44 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2f77 n PHE 45 N 0.00 0.00 -0.17 -5.99 3.72 -1.11 -4.30 117.46 109.61 2f77 n PHE 45 Ca 0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 2f77 n PHE 45 Cb 0.00 0.00 0.47 0.00 -0.94 0.00 0.00 39.48 39.01 2f77 n PHE 45 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2f77 h PRO 46 N 0.00 0.48 -6.44 -1.08 0.11 -1.99 -3.41 132.00 119.67 2f77 h PRO 46 Ca 0.00 -0.03 -0.53 0.00 0.11 0.00 0.00 66.00 65.55 2f77 h PRO 46 Cb 0.00 -0.11 0.02 0.00 0.11 0.00 0.00 31.00 31.03 2f77 h PRO 46 CO 0.00 0.32 1.07 -0.65 -0.21 0.00 0.00 178.00 178.53 2f77 s GLN 47 N -5.47 4.17 0.07 1.05 -0.21 -1.26 -4.98 119.66 113.02 2f77 s GLN 47 Ca -0.08 2.45 0.01 0.00 0.02 0.00 0.00 55.36 57.75 2f77 s GLN 47 Cb 0.21 -3.70 -0.04 0.00 1.00 0.00 0.00 33.01 30.48 2f77 s GLN 47 CO 0.77 -0.81 -0.05 -1.21 -2.12 0.00 0.00 175.29 171.87 2f77 s GLU 48 N 3.02 0.70 0.18 2.91 0.41 -1.26 -4.99 118.70 119.67 2f77 s GLU 48 Ca 0.78 -1.21 -0.18 0.00 -0.41 0.00 0.00 54.97 53.95 2f77 s GLU 48 Cb -0.42 -0.03 0.03 0.00 -1.78 0.00 0.00 34.13 31.93 2f77 s GLU 48 CO 0.35 -0.05 0.51 0.20 -0.49 0.00 0.00 175.26 175.78 2f77 s GLY 49 N -2.81 -0.17 0.36 -1.39 0.00 -1.26 -5.13 107.32 96.92 2f77 s GLY 49 Ca 0.07 -0.13 -0.28 0.00 0.00 0.00 0.00 44.72 44.37 2f77 s GLY 49 CO -0.06 -0.23 1.41 -1.59 0.00 0.00 0.00 173.10 172.62 2f77 s THR 50 N -3.85 2.34 -0.04 0.90 2.01 -1.26 -5.01 115.64 110.73 2f77 s THR 50 Ca 0.08 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.45 2f77 s THR 50 Cb -0.01 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.29 2f77 s THR 50 CO -0.05 0.08 -0.12 -0.51 -0.69 0.00 0.00 174.62 173.33 2f77 s ILE 51 N -1.13 1.01 0.17 1.82 -1.16 -1.26 -5.00 121.20 115.66 2f77 s ILE 51 Ca 0.51 -0.48 -0.30 0.00 -0.51 0.00 0.00 60.65 59.88 2f77 s ILE 51 Cb -0.43 -0.90 -0.08 0.00 0.61 0.00 0.00 42.46 41.66 2f77 s ILE 51 CO 0.59 0.31 1.20 -0.62 -2.81 0.00 0.00 174.94 173.61 2f77 s ASP 52 N 0.22 7.08 0.46 4.50 -1.08 -1.26 -4.90 116.67 121.69 2f77 s ASP 52 Ca -0.05 2.21 0.17 0.00 -0.52 0.00 0.00 52.55 54.36 2f77 s ASP 52 Cb -0.10 -2.60 1.08 0.00 -1.46 0.00 0.00 42.92 39.83 2f77 s ASP 52 CO 0.01 -0.39 2.00 0.40 0.52 0.00 0.00 175.17 177.71 2f77 h ILE 53 N 3.85 1.02 -0.73 4.11 2.04 -2.00 -2.24 117.51 123.56 2f77 h ILE 53 Ca -0.44 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 64.70 2f77 h ILE 53 Cb 1.21 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 2f77 h ILE 53 CO 0.76 0.18 0.20 0.11 0.00 0.00 0.00 178.15 179.40 2f77 h LYS 54 N 0.00 1.16 0.00 2.37 1.57 -1.99 -2.36 116.57 117.32 2f77 h LYS 54 Ca -0.00 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 2f77 h LYS 54 Cb 0.35 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2f77 h LYS 54 CO 0.02 1.00 -0.23 0.35 -0.57 0.00 0.00 179.45 180.02 2f77 h PHE 55 N 1.10 0.00 -0.86 -1.35 3.57 -1.82 -3.20 116.94 114.38 2f77 h PHE 55 Ca 0.23 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.83 2f77 h PHE 55 Cb 0.34 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 2f77 h PHE 55 CO 0.03 0.23 0.56 2.35 -2.23 0.00 0.00 178.31 179.25 2f77 h TRP 56 N 0.00 0.90 -0.92 0.41 7.01 -0.86 -0.58 115.95 121.91 2f77 h TRP 56 Ca -0.00 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.07 2f77 h TRP 56 Cb 1.04 -0.29 -0.06 0.00 -2.10 0.00 0.00 29.16 27.75 2f77 h TRP 56 CO 0.00 0.41 0.60 0.00 -2.79 0.00 0.00 178.44 176.66 2f77 h ARG 57 N 0.83 1.06 -0.43 2.65 2.47 -1.60 0.22 114.38 119.58 2f77 h ARG 57 Ca 0.40 -0.06 -0.14 0.00 -1.26 0.00 0.00 59.98 58.92 2f77 h ARG 57 Cb 0.43 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 2f77 h ARG 57 CO -0.17 0.70 -0.29 0.00 0.56 0.00 0.00 179.97 180.78 2f77 h ARG 58 N 1.10 0.95 -0.37 0.04 2.47 -1.30 -2.71 114.38 114.55 2f77 h ARG 58 Ca 0.38 -0.44 -0.05 0.00 -1.26 0.00 0.00 59.98 58.61 2f77 h ARG 58 Cb 0.11 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 2f77 h ARG 58 CO -0.13 1.10 0.04 0.28 0.56 0.00 0.00 179.97 181.82 2f77 h VAL 59 N 0.80 1.25 -0.35 2.04 2.07 -0.88 -0.50 116.25 120.68 2f77 h VAL 59 Ca 0.09 -0.91 0.05 0.00 0.82 0.00 0.00 66.70 66.75 2f77 h VAL 59 Cb 0.86 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 2f77 h VAL 59 CO 0.08 0.30 0.08 1.23 0.02 0.00 0.00 177.57 179.28 2f77 h GLY 60 N 0.46 0.42 1.36 2.17 0.00 -0.92 0.41 103.07 106.97 2f77 h GLY 60 Ca 0.11 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.31 2f77 h GLY 60 CO 0.01 -0.02 -0.16 -0.55 0.00 0.00 0.00 176.54 175.83 2f77 h ASP 61 N 0.20 0.75 0.07 0.19 3.32 -1.36 -0.19 116.42 119.40 2f77 h ASP 61 Ca 0.17 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2f77 h ASP 61 Cb 0.18 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2f77 h ASP 61 CO -0.21 0.91 -0.03 0.00 -1.72 0.00 0.00 179.24 178.18 2f77 h PHE 63 N -0.48 1.08 -0.88 0.00 -1.00 -0.20 -2.25 116.94 113.22 2f77 h PHE 63 Ca -0.01 -0.08 0.01 0.00 2.81 0.00 0.00 57.97 60.70 2f77 h PHE 63 Cb 0.42 -0.33 -0.04 0.00 3.61 0.00 0.00 35.95 39.61 2f77 h PHE 63 CO 0.05 0.83 0.57 0.37 -1.61 0.00 0.00 178.31 178.52 2f77 h GLN 64 N 1.02 1.16 -0.53 1.51 4.15 -0.98 -1.20 115.11 120.24 2f77 h GLN 64 Ca 0.24 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 2f77 h GLN 64 Cb 0.19 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 2f77 h GLN 64 CO -0.02 0.77 0.32 -0.44 -1.93 0.00 0.00 178.83 177.53 2f77 h ASP 65 N 1.19 0.64 -0.51 -0.69 3.32 -0.68 -1.73 116.42 117.96 2f77 h ASP 65 Ca 0.32 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 2f77 h ASP 65 Cb -0.13 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 2f77 h ASP 65 CO -0.07 0.51 0.07 1.88 -1.72 0.00 0.00 179.24 179.91 2f77 h TYR 66 N 0.71 0.95 0.39 4.55 0.05 -1.05 -0.26 116.97 122.30 2f77 h TYR 66 Ca 0.19 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 2f77 h TYR 66 Cb -0.01 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.47 2f77 h TYR 66 CO -0.02 0.82 -0.19 -0.92 -1.05 0.00 0.00 178.16 176.80 2f77 h TYR 67 N 0.85 -0.48 -0.30 4.88 3.20 -0.65 0.33 116.97 124.80 2f77 h TYR 67 Ca 0.17 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 2f77 h TYR 67 Cb 0.40 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2f77 h TYR 67 CO 0.02 -0.29 0.01 -0.91 -1.64 0.00 0.00 178.16 175.35 2f77 h ASN 68 N -0.52 0.42 -0.28 -2.11 2.35 -1.21 2.27 115.58 116.50 2f77 h ASN 68 Ca -0.05 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 2f77 h ASN 68 Cb 0.40 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2f77 h ASN 68 CO 0.09 0.48 -0.13 0.74 -1.65 0.00 0.00 177.43 176.95 2f77 h THR 69 N 0.44 1.30 0.00 2.81 2.02 -0.54 -3.41 112.91 115.52 2f77 h THR 69 Ca 0.10 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 66.05 2f77 h THR 69 Cb 0.28 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2f77 h THR 69 CO 0.01 0.39 -0.73 0.49 0.37 0.00 0.00 175.52 176.05 2f77 n PHE 70 N -4.44 -0.06 0.00 3.16 3.72 0.11 -5.08 117.46 114.88 2f77 n PHE 70 Ca -0.04 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2f77 n PHE 70 Cb 0.36 0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 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 2.90 0.89 0.29 1.37 0.00 0.76 -4.84 105.19 106.57 2f77 n GLY 71 Ca 0.00 -1.96 0.18 0.00 0.00 0.00 0.00 46.02 44.24 2f77 n GLY 71 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2f77 h PRO 72 N 3.50 0.00 0.01 1.61 0.11 -1.79 -3.13 132.00 132.30 2f77 h PRO 72 Ca 0.00 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.14 2f77 h PRO 72 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 2f77 h PRO 72 CO 0.00 0.04 -0.20 0.93 -0.21 0.00 0.00 178.00 178.57 2f77 h GLU 73 N 0.00 -0.31 -0.52 1.05 4.39 -1.95 1.95 114.58 119.19 2f77 h GLU 73 Ca -0.00 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 2f77 h GLU 73 Cb 0.30 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2f77 h GLU 73 CO 0.01 -0.21 -0.05 0.87 -1.16 0.00 0.00 179.01 178.47 2f77 h LYS 74 N -0.32 0.93 -2.06 2.33 1.79 -1.89 -3.37 116.57 113.97 2f77 h LYS 74 Ca 0.05 -0.30 -0.51 0.00 -2.18 0.00 0.00 60.65 57.72 2f77 h LYS 74 Cb 0.39 -0.08 -0.34 0.00 -1.58 0.00 0.00 32.23 30.61 2f77 h LYS 74 CO -0.17 0.95 -0.91 1.33 -1.08 0.00 0.00 179.45 179.56 2f77 n VAL 75 N -4.17 -0.96 -1.08 0.50 0.24 -0.78 -4.97 118.33 107.09 2f77 n VAL 75 Ca 0.02 -3.09 -0.34 0.00 -2.04 0.00 0.00 64.34 58.90 2f77 n VAL 75 Cb 0.35 -1.22 0.11 0.00 -1.47 0.00 0.00 33.84 31.61 2f77 n VAL 75 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2f77 n PRO 76 N 2.66 0.12 0.06 7.34 -0.02 0.65 -4.53 135.00 141.29 2f77 n PRO 76 Ca 0.27 0.10 0.02 0.00 -2.02 0.00 0.00 63.50 61.87 2f77 n PRO 76 Cb 0.50 -2.18 0.10 0.00 -0.02 0.00 0.00 33.50 31.90 2f77 n PRO 76 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2f77 n VAL 77 N -3.14 0.74 -0.26 -1.45 3.14 -1.26 -0.71 118.33 115.39 2f77 n VAL 77 Ca 0.11 0.59 0.00 0.00 -2.96 0.00 0.00 64.34 62.08 2f77 n VAL 77 Cb 0.51 -1.59 0.21 0.00 -1.06 0.00 0.00 33.84 31.91 2f77 n VAL 77 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 2f77 h THR 78 N 0.00 1.20 -0.49 1.55 1.35 -1.95 -2.10 112.91 112.48 2f77 h THR 78 Ca 0.00 -0.38 0.06 0.00 -0.55 0.00 0.00 66.41 65.55 2f77 h THR 78 Cb 0.65 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.01 2f77 h THR 78 CO 0.00 0.20 0.18 0.00 -0.25 0.00 0.00 175.52 175.65 2f77 h ALA 79 N 1.49 0.60 -0.45 6.62 0.00 -1.22 0.21 119.26 126.50 2f77 h ALA 79 Ca 0.30 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2f77 h ALA 79 Cb -0.12 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2f77 h ALA 79 CO -0.07 -0.21 0.16 0.74 0.00 0.00 0.00 179.25 179.87 2f77 h PHE 80 N 0.36 0.71 0.16 0.00 -1.00 -1.59 0.99 116.94 116.57 2f77 h PHE 80 Ca 0.23 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 2f77 h PHE 80 Cb 0.24 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.59 2f77 h PHE 80 CO -0.16 0.63 -0.08 0.77 -1.61 0.00 0.00 178.31 177.87 2f77 h SER 81 N 0.60 -0.18 -0.79 2.17 0.02 -0.82 0.10 113.55 114.64 2f77 h SER 81 Ca 0.15 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2f77 h SER 81 Cb 0.23 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 2f77 h SER 81 CO -0.01 -0.05 0.50 1.88 -1.14 0.00 0.00 176.83 178.01 2f77 h TYR 82 N -0.29 1.03 -0.78 3.45 0.05 -0.51 -2.08 116.97 117.84 2f77 h TYR 82 Ca -0.02 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 2f77 h TYR 82 Cb 0.23 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.59 2f77 h TYR 82 CO -0.04 0.68 0.32 2.35 -1.05 0.00 0.00 178.16 180.41 2f77 h TRP 83 N 1.08 1.18 -0.94 4.88 2.91 -0.53 -1.91 115.95 122.63 2f77 h TRP 83 Ca 0.29 -0.09 0.09 0.00 1.13 0.00 0.00 58.89 60.31 2f77 h TRP 83 Cb -0.07 -0.36 -0.07 0.00 -0.51 0.00 0.00 29.16 28.16 2f77 h TRP 83 CO -0.01 0.89 0.60 -0.91 -1.03 0.00 0.00 178.44 177.99 2f77 h ASN 84 N 1.13 0.89 -0.64 2.65 -0.26 -0.12 -0.59 115.58 118.64 2f77 h ASN 84 Ca 0.26 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 56.00 2f77 h ASN 84 Cb 0.20 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.27 2f77 h ASN 84 CO -0.02 0.53 0.32 0.25 -1.06 0.00 0.00 177.43 177.45 2f77 h LEU 85 N 0.99 0.82 -0.70 1.61 6.46 -0.93 -2.55 115.31 121.02 2f77 h LEU 85 Ca 0.43 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 58.06 2f77 h LEU 85 Cb 0.34 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 2f77 h LEU 85 CO -0.19 0.71 0.39 0.40 -0.62 0.00 0.00 178.44 179.14 2f77 h ILE 86 N 0.88 1.21 -1.00 4.05 1.08 -0.83 -2.23 117.51 120.67 2f77 h ILE 86 Ca 0.22 -0.53 0.10 0.00 -0.39 0.00 0.00 64.86 64.26 2f77 h ILE 86 Cb 0.09 0.28 -0.08 0.00 -3.07 0.00 0.00 36.82 34.05 2f77 h ILE 86 CO -0.03 0.23 0.64 0.11 -0.69 0.00 0.00 178.15 178.41 2f77 h LYS 87 N 0.97 1.04 -0.44 2.37 1.79 -0.88 -0.83 116.57 120.58 2f77 h LYS 87 Ca 0.25 -0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.55 2f77 h LYS 87 Cb 0.03 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.43 2f77 h LYS 87 CO -0.04 0.68 -0.16 0.93 -1.08 0.00 0.00 179.45 179.78 2f77 h GLU 88 N 1.07 0.83 -0.57 3.15 5.08 -1.13 1.20 114.58 124.22 2f77 h GLU 88 Ca 0.47 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 2f77 h GLU 88 Cb 0.36 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2f77 h GLU 88 CO -0.23 0.94 0.11 -0.07 -1.00 0.00 0.00 179.01 178.76 2f77 h LEU 89 N 0.74 0.88 0.12 1.33 4.07 -0.80 -1.20 115.31 120.44 2f77 h LEU 89 Ca 0.11 -0.25 -0.30 0.00 0.08 0.00 0.00 57.88 57.53 2f77 h LEU 89 Cb 0.67 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 2f77 h LEU 89 CO 0.05 0.90 -1.53 0.16 -1.08 0.00 0.00 178.44 176.94 2f77 h ILE 90 N 0.82 0.95 -0.22 1.22 3.07 -1.11 -3.03 117.51 119.20 2f77 h ILE 90 Ca 0.17 -2.39 0.01 0.00 1.55 0.00 0.00 64.86 64.21 2f77 h ILE 90 Cb 0.38 2.65 -0.02 0.00 -0.27 0.00 0.00 36.82 39.56 2f77 h ILE 90 CO 0.01 0.73 0.10 0.44 -1.05 0.00 0.00 178.15 178.38 2f77 h ASP 91 N -0.25 0.15 -0.46 2.16 3.32 0.14 -2.60 116.42 118.89 2f77 h ASP 91 Ca -0.33 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.70 2f77 h ASP 91 Cb 1.81 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 41.32 2f77 h ASP 91 CO 0.06 0.12 0.15 0.11 -1.72 0.00 0.00 179.24 177.96 2f77 h LYS 92 N 0.22 0.71 -6.44 3.56 1.57 -1.36 -3.41 116.57 111.42 2f77 h LYS 92 Ca 0.09 -0.15 -0.54 0.00 -1.87 0.00 0.00 60.65 58.18 2f77 h LYS 92 Cb 0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2f77 h LYS 92 CO -0.07 0.68 0.41 0.21 -0.57 0.00 0.00 179.45 180.11 2f77 s LYS 93 N -5.43 4.55 0.09 3.15 2.20 -0.98 -4.99 119.74 118.32 2f77 s LYS 93 Ca -0.13 1.50 -0.31 0.00 -0.36 0.00 0.00 55.97 56.67 2f77 s LYS 93 Cb 0.11 -3.43 -0.07 0.00 -1.51 0.00 0.00 37.83 32.94 2f77 s LYS 93 CO 0.77 -0.07 1.28 -1.21 -0.36 0.00 0.00 175.35 175.77 2f77 s GLU 94 N 0.90 4.38 0.18 4.03 2.02 -1.26 -4.77 118.70 124.17 2f77 s GLU 94 Ca 0.53 1.90 0.05 0.00 0.02 0.00 0.00 54.97 57.48 2f77 s GLU 94 Cb -0.23 -3.30 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 2f77 s GLU 94 CO 0.29 -0.33 -0.11 0.54 0.02 0.00 0.00 175.26 175.67 2f77 s VAL 95 N 1.07 1.35 -0.62 2.63 0.11 -1.26 -5.10 120.40 118.58 2f77 s VAL 95 Ca 0.61 -2.11 0.04 0.00 -2.93 0.00 0.00 61.98 57.60 2f77 s VAL 95 Cb -0.33 -1.97 0.15 0.00 -1.53 0.00 0.00 36.38 32.71 2f77 s VAL 95 CO 0.30 -0.65 0.40 0.21 -3.33 0.00 0.00 175.10 172.02 2f77 s ASN 96 N -3.23 4.46 0.21 3.54 3.04 -1.26 -5.02 114.94 116.68 2f77 s ASN 96 Ca 0.20 -3.48 0.00 0.00 0.04 0.00 0.00 52.86 49.62 2f77 s ASN 96 Cb 0.02 -1.56 0.00 0.00 -1.54 0.00 0.00 41.25 38.17 2f77 s ASN 96 CO 0.04 -0.15 0.00 -0.81 -3.04 0.00 0.00 177.10 173.14 2f77 n PRO 97 N 2.46 0.94 -0.22 0.43 -0.04 -1.26 -4.95 135.00 132.36 2f77 n PRO 97 Ca 0.15 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.54 2f77 n PRO 97 Cb 0.34 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.84 2f77 n PRO 97 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2f77 h GLN 98 N 0.00 0.85 -5.44 0.54 4.20 -1.98 -3.41 115.11 109.88 2f77 h GLN 98 Ca 0.00 -0.08 -0.62 0.00 0.06 0.00 0.00 58.65 58.01 2f77 h GLN 98 Cb 0.00 -0.18 -0.32 0.00 0.30 0.00 0.00 27.48 27.28 2f77 h GLN 98 CO 0.00 0.62 -0.86 0.08 -0.67 0.00 0.00 178.83 178.00 2f77 s VAL 99 N -5.96 1.71 -2.64 -0.54 1.01 -1.26 -5.28 120.40 107.43 2f77 s VAL 99 Ca -0.13 -0.85 0.27 0.00 0.00 0.00 0.00 61.98 61.26 2f77 s VAL 99 Cb 0.13 -1.47 0.45 0.00 0.00 0.00 0.00 36.38 35.49 2f77 s VAL 99 CO 0.77 0.48 1.61 0.23 0.00 0.00 0.00 175.10 178.19