#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 1.51 3.93 -5.12 0.00 -1.26 -4.96 105.19 99.28 2f77 n GLY 2 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.44 3.33 0.26 1.61 -0.21 -1.26 -5.00 119.66 117.95 2f77 s GLN 3 Ca 0.00 -0.13 -0.29 0.00 0.02 0.00 0.00 55.36 54.96 2f77 s GLN 3 Cb 0.00 -2.48 -0.14 0.00 1.00 0.00 0.00 33.01 31.39 2f77 s GLN 3 CO 0.00 -0.20 1.03 0.39 -2.12 0.00 0.00 175.29 174.39 2f77 n GLU 4 N -2.14 1.29 -2.96 2.91 1.02 -1.26 -4.87 120.64 114.62 2f77 n GLU 4 Ca -0.00 0.45 -0.43 0.00 -0.02 0.00 0.00 57.16 57.16 2f77 n GLU 4 Cb 0.56 -1.84 -0.05 0.00 -0.02 0.00 0.00 31.44 30.10 2f77 n GLU 4 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2f77 s LEU 5 N 0.58 4.61 0.71 -4.62 1.43 -1.26 -4.98 118.68 115.14 2f77 s LEU 5 Ca 0.62 -0.90 -0.08 0.00 -1.03 0.00 0.00 54.13 52.73 2f77 s LEU 5 Cb -0.74 -2.50 0.05 0.00 0.03 0.00 0.00 46.19 43.04 2f77 s LEU 5 CO 0.58 -1.22 1.04 -0.94 0.23 0.00 0.00 176.35 176.04 2f77 s SER 6 N 3.28 4.91 0.29 2.29 1.04 -1.26 -4.70 113.70 119.54 2f77 s SER 6 Ca 0.21 0.61 0.03 0.00 0.48 0.00 0.00 55.95 57.28 2f77 s SER 6 Cb -0.18 -1.29 0.64 0.00 0.10 0.00 0.00 66.02 65.29 2f77 s SER 6 CO 0.12 -1.57 1.78 -0.61 0.98 0.00 0.00 173.24 173.94 2f77 h GLN 7 N -0.64 0.73 -0.32 4.02 4.15 -1.98 0.65 115.11 121.72 2f77 h GLN 7 Ca -0.45 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 58.88 2f77 h GLN 7 Cb 1.31 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 2f77 h GLN 7 CO 0.62 0.48 0.01 1.25 -1.93 0.00 0.00 178.83 179.26 2f77 h HIS 8 N 0.75 0.60 -0.23 3.99 2.76 -2.00 -0.82 115.15 120.19 2f77 h HIS 8 Ca 0.53 -0.10 -0.09 0.00 -2.20 0.00 0.00 60.37 58.50 2f77 h HIS 8 Cb 0.75 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 2f77 h HIS 8 CO -0.04 0.67 -0.26 0.93 -1.30 0.00 0.00 177.93 177.93 2f77 h GLU 9 N 0.36 0.44 -0.39 5.26 5.08 -1.39 -2.76 114.58 121.19 2f77 h GLU 9 Ca 0.09 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 2f77 h GLU 9 Cb 0.42 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2f77 h GLU 9 CO 0.01 0.68 -0.27 0.00 -1.00 0.00 0.00 179.01 178.43 2f77 h ARG 10 N 0.39 0.82 0.02 2.33 3.08 0.48 -1.79 114.38 119.71 2f77 h ARG 10 Ca 0.06 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 2f77 h ARG 10 Cb 0.67 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2f77 h ARG 10 CO 0.05 0.99 -0.01 -0.92 -1.07 0.00 0.00 179.97 179.01 2f77 h TYR 11 N 0.70 -0.03 -0.21 3.04 3.20 -0.87 -2.13 116.97 120.66 2f77 h TYR 11 Ca 0.09 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 2f77 h TYR 11 Cb 0.81 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 2f77 h TYR 11 CO 0.04 0.02 -0.08 -0.39 -1.64 0.00 0.00 178.16 176.12 2f77 h VAL 12 N -0.08 1.18 -0.60 1.81 -1.51 -1.48 -2.42 116.25 113.14 2f77 h VAL 12 Ca -0.00 -0.75 0.04 0.00 -1.23 0.00 0.00 66.70 64.75 2f77 h VAL 12 Cb 0.07 1.11 -0.04 0.00 -2.13 0.00 0.00 31.29 30.29 2f77 h VAL 12 CO 0.01 0.24 0.35 -0.08 -1.23 0.00 0.00 177.57 176.86 2f77 h GLU 13 N 0.32 0.66 -0.60 5.19 4.81 -0.70 -0.74 114.58 123.53 2f77 h GLU 13 Ca 0.07 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2f77 h GLU 13 Cb 0.34 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2f77 h GLU 13 CO 0.02 0.44 0.20 0.37 -0.73 0.00 0.00 179.01 179.30 2f77 h GLN 14 N 0.68 0.90 -0.89 1.92 5.75 -0.94 -1.88 115.11 120.65 2f77 h GLN 14 Ca 0.25 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 2f77 h GLN 14 Cb 0.07 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.44 2f77 h GLN 14 CO -0.13 0.77 0.52 1.25 -2.65 0.00 0.00 178.83 178.59 2f77 h LEU 15 N 0.87 1.08 -0.67 -2.39 5.85 -0.93 -2.13 115.31 116.99 2f77 h LEU 15 Ca 0.20 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2f77 h LEU 15 Cb 0.24 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2f77 h LEU 15 CO -0.01 0.84 0.42 0.50 -0.34 0.00 0.00 178.44 179.85 2f77 h LYS 16 N 1.23 0.90 -0.84 1.25 3.64 -0.39 -1.60 116.57 120.76 2f77 h LYS 16 Ca 0.32 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.72 2f77 h LYS 16 Cb -0.03 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 31.52 2f77 h LYS 16 CO -0.06 0.63 0.48 1.96 -2.27 0.00 0.00 179.45 180.19 2f77 h GLN 17 N 0.91 0.77 -0.42 1.90 4.20 -1.06 0.33 115.11 121.73 2f77 h GLN 17 Ca 0.24 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 2f77 h GLN 17 Cb -0.05 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 2f77 h GLN 17 CO -0.05 0.51 0.12 0.00 -0.67 0.00 0.00 178.83 178.74 2f77 h ALA 18 N 1.47 0.56 -0.70 3.87 0.00 -1.12 -1.29 119.26 122.05 2f77 h ALA 18 Ca 0.41 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2f77 h ALA 18 Cb 0.39 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2f77 h ALA 18 CO -0.25 0.22 0.28 -0.07 0.00 0.00 0.00 179.25 179.43 2f77 h LEU 19 N 0.55 0.96 -0.96 0.00 3.38 -0.24 -2.40 115.31 116.59 2f77 h LEU 19 Ca 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2f77 h LEU 19 Cb 0.29 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2f77 h LEU 19 CO -0.00 0.87 0.36 0.50 0.09 0.00 0.00 178.44 180.26 2f77 h LYS 20 N 1.00 1.11 0.00 1.13 3.64 -0.10 -1.42 116.57 121.92 2f77 h LYS 20 Ca 0.23 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2f77 h LYS 20 Cb 0.20 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2f77 h LYS 20 CO -0.02 0.86 -0.22 1.79 -2.27 0.00 0.00 179.45 179.59 2f77 h THR 21 N 1.10 1.14 0.00 1.00 1.35 -0.79 -0.74 112.91 115.97 2f77 h THR 21 Ca 0.27 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2f77 h THR 21 Cb 0.12 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2f77 h THR 21 CO -0.03 0.21 0.00 0.54 -0.25 0.00 0.00 175.52 175.99 2f77 n ARG 22 N -4.25 0.18 0.00 4.72 1.74 -0.60 -4.87 116.66 113.57 2f77 n ARG 22 Ca -0.02 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2f77 n ARG 22 Cb 0.28 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 2f77 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f77 n GLY 23 N 1.15 0.82 3.21 -0.13 0.00 -0.29 -5.11 105.19 104.85 2f77 n GLY 23 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.73 1.79 -0.35 1.61 1.01 -0.82 -4.97 120.40 117.96 2f77 s VAL 24 Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2f77 s VAL 24 Cb 0.00 -1.52 0.11 0.00 0.00 0.00 0.00 36.38 34.97 2f77 s VAL 24 CO 0.00 0.50 0.13 -0.54 0.00 0.00 0.00 175.10 175.19 2f77 s LYS 25 N -0.11 0.94 0.12 2.72 1.02 -1.26 -4.09 119.74 119.08 2f77 s LYS 25 Ca -0.03 -1.41 0.03 0.00 0.02 0.00 0.00 55.97 54.58 2f77 s LYS 25 Cb -0.13 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 2f77 s LYS 25 CO 0.03 -1.03 -0.07 0.14 -0.92 0.00 0.00 175.35 173.50 2f77 s VAL 26 N 1.21 0.84 0.50 3.17 -7.23 -1.26 -5.09 120.40 112.54 2f77 s VAL 26 Ca 0.12 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 58.13 2f77 s VAL 26 Cb -0.19 -1.77 -0.08 0.00 0.56 0.00 0.00 36.38 34.89 2f77 s VAL 26 CO -0.16 -0.80 1.00 -0.54 -0.31 0.00 0.00 175.10 174.28 2f77 s LYS 27 N -3.81 3.91 0.33 4.82 1.02 -1.26 -4.94 119.74 119.80 2f77 s LYS 27 Ca 0.14 1.12 0.04 0.00 0.02 0.00 0.00 55.97 57.29 2f77 s LYS 27 Cb 0.04 -2.13 0.58 0.00 -0.52 0.00 0.00 37.83 35.81 2f77 s LYS 27 CO -0.02 -0.31 1.87 1.88 -0.92 0.00 0.00 175.35 177.84 2f77 h TYR 28 N 1.26 0.57 0.00 3.18 -1.99 -2.00 -1.62 116.97 116.36 2f77 h TYR 28 Ca -0.48 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.17 2f77 h TYR 28 Cb 1.20 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 39.76 2f77 h TYR 28 CO 0.61 0.55 -0.12 0.00 -0.00 0.00 0.00 178.16 179.20 2f77 h ALA 29 N 1.49 1.73 -0.18 3.88 0.00 -1.93 -2.47 119.26 121.78 2f77 h ALA 29 Ca 0.11 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2f77 h ALA 29 Cb 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2f77 h ALA 29 CO 0.01 0.15 0.09 0.22 0.00 0.00 0.00 179.25 179.72 2f77 h ASP 30 N 0.00 0.15 -0.61 0.00 3.58 -1.67 0.21 116.42 118.08 2f77 h ASP 30 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2f77 h ASP 30 Cb 0.22 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 2f77 h ASP 30 CO 0.02 0.11 0.29 -0.07 -2.88 0.00 0.00 179.24 176.71 2f77 h LEU 31 N 0.20 0.79 -0.66 2.28 3.38 -1.51 0.24 115.31 120.04 2f77 h LEU 31 Ca 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2f77 h LEU 31 Cb 0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2f77 h LEU 31 CO -0.04 0.70 0.35 -0.07 0.09 0.00 0.00 178.44 179.47 2f77 h LEU 32 N 0.83 0.83 -0.88 1.67 3.38 -1.19 -1.84 115.31 118.11 2f77 h LEU 32 Ca 0.21 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 2f77 h LEU 32 Cb 0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2f77 h LEU 32 CO -0.03 0.70 -0.26 0.11 0.09 0.00 0.00 178.44 179.05 2f77 h LYS 33 N 0.90 0.52 -0.15 1.13 1.57 -0.11 -2.40 116.57 118.03 2f77 h LYS 33 Ca 0.23 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2f77 h LYS 33 Cb 0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2f77 h LYS 33 CO -0.04 0.74 0.06 0.35 -0.57 0.00 0.00 179.45 179.99 2f77 h PHE 34 N 0.46 0.11 -0.51 -1.35 3.57 0.27 0.31 116.94 119.80 2f77 h PHE 34 Ca 0.06 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2f77 h PHE 34 Cb 0.70 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2f77 h PHE 34 CO 0.02 0.06 0.19 0.74 -2.23 0.00 0.00 178.31 177.10 2f77 h PHE 35 N 0.14 0.80 -0.73 0.41 0.04 -1.31 -1.57 116.94 114.71 2f77 h PHE 35 Ca 0.06 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 2f77 h PHE 35 Cb 0.03 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 2f77 h PHE 35 CO -0.10 0.67 0.28 -0.44 -0.60 0.00 0.00 178.31 178.12 2f77 h ASP 36 N 0.69 1.02 -0.34 2.17 3.32 -1.03 -2.19 116.42 120.06 2f77 h ASP 36 Ca 0.17 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2f77 h ASP 36 Cb 0.22 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2f77 h ASP 36 CO -0.01 0.92 0.19 0.15 -1.72 0.00 0.00 179.24 178.77 2f77 h PHE 37 N 1.06 0.47 -0.96 4.55 3.57 -0.08 0.31 116.94 125.86 2f77 h PHE 37 Ca 0.24 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.79 2f77 h PHE 37 Cb 0.23 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.76 2f77 h PHE 37 CO 0.02 0.38 0.62 0.28 -2.23 0.00 0.00 178.31 177.38 2f77 h VAL 38 N 0.43 1.10 0.00 1.41 2.07 -0.99 0.17 116.25 120.44 2f77 h VAL 38 Ca 0.12 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 2f77 h VAL 38 Cb 0.06 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.70 2f77 h VAL 38 CO -0.02 0.21 -0.02 0.11 0.02 0.00 0.00 177.57 177.86 2f77 h LYS 39 N 1.13 0.00 0.00 1.57 1.57 -0.87 -3.12 116.57 116.85 2f77 h LYS 39 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2f77 h LYS 39 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2f77 h LYS 39 CO -0.15 0.00 0.00 -0.44 -0.57 0.00 0.00 179.45 178.29 2f77 h ASP 40 N 0.00 0.00 -0.74 0.86 3.32 0.17 -1.90 116.42 118.13 2f77 h ASP 40 Ca -0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.14 2f77 h ASP 40 Cb 1.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.48 2f77 h ASP 40 CO 0.00 0.00 0.39 0.74 -1.72 0.00 0.00 179.24 178.65 2f77 h THR 41 N 0.00 0.89 0.00 0.35 2.02 -1.44 -3.14 112.91 111.59 2f77 h THR 41 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2f77 h THR 41 Cb 0.41 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2f77 h THR 41 CO 0.00 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.01 2f77 h PRO 43 N 0.00 0.08 0.00 0.00 0.11 -1.59 -3.43 132.00 127.17 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 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 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 -5.34 0.00 0.00 0.65 8.01 -0.92 -4.98 117.44 114.86 2f77 n TRP 44 Ca 0.27 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.46 2f77 n TRP 44 Cb 0.87 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.17 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 -0.37 -1.75 -5.99 -0.00 -1.19 -4.29 117.46 103.87 2f77 n PHE 45 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.04 2f77 n PHE 45 Cb 0.00 0.07 -0.00 0.00 -0.00 0.00 0.00 39.48 39.55 2f77 n PHE 45 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2f77 n PRO 46 N -1.49 2.49 -4.10 -7.13 -0.02 -1.26 -4.97 135.00 118.51 2f77 n PRO 46 Ca 0.00 0.87 -0.24 0.00 -2.02 0.00 0.00 63.50 62.12 2f77 n PRO 46 Cb 0.00 -2.57 -0.05 0.00 -0.02 0.00 0.00 33.50 30.86 2f77 n PRO 46 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2f77 s GLN 47 N -2.08 2.92 0.02 -0.52 -1.52 -1.26 -5.02 119.66 112.21 2f77 s GLN 47 Ca 0.54 -0.98 0.02 0.00 -1.95 0.00 0.00 55.36 53.00 2f77 s GLN 47 Cb -0.50 -2.60 -0.02 0.00 -0.22 0.00 0.00 33.01 29.68 2f77 s GLN 47 CO 0.63 0.43 -0.07 -1.83 -0.25 0.00 0.00 175.29 174.20 2f77 s GLU 48 N -3.55 0.51 1.74 2.91 -1.05 -1.26 -5.08 118.70 112.92 2f77 s GLU 48 Ca 0.32 -0.54 0.00 0.00 -0.15 0.00 0.00 54.97 54.60 2f77 s GLU 48 Cb -0.09 -0.37 0.00 0.00 -0.44 0.00 0.00 34.13 33.23 2f77 s GLU 48 CO 0.24 0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.95 2f77 n GLY 49 N 2.04 -1.08 3.05 -3.83 0.00 -1.26 -4.87 105.19 99.24 2f77 n GLY 49 Ca -0.19 -1.43 -0.25 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 1.17 -0.05 2.61 2.01 -1.26 -5.12 115.64 115.00 2f77 s THR 50 Ca 0.00 -0.52 -0.22 0.00 0.31 0.00 0.00 61.69 61.26 2f77 s THR 50 Cb 0.00 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 2f77 s THR 50 CO 0.00 0.36 0.64 -0.63 -0.69 0.00 0.00 174.62 174.30 2f77 s ILE 51 N 0.47 5.01 -0.17 1.82 -1.09 -1.26 -5.04 121.20 120.94 2f77 s ILE 51 Ca -0.11 1.32 -0.16 0.00 -2.23 0.00 0.00 60.65 59.47 2f77 s ILE 51 Cb -0.14 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 2f77 s ILE 51 CO 0.03 0.32 0.40 -0.62 -1.23 0.00 0.00 174.94 173.84 2f77 s ASP 52 N 0.44 6.50 0.44 3.58 -1.08 -1.26 -4.91 116.67 120.39 2f77 s ASP 52 Ca 0.34 0.59 0.10 0.00 -0.52 0.00 0.00 52.55 53.07 2f77 s ASP 52 Cb -0.18 -2.24 0.56 0.00 -1.46 0.00 0.00 42.92 39.61 2f77 s ASP 52 CO 0.17 -0.03 1.21 0.40 0.52 0.00 0.00 175.17 177.44 2f77 h ILE 53 N 4.89 0.00 -0.34 4.11 2.04 -1.98 0.68 117.51 126.91 2f77 h ILE 53 Ca -0.38 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 2f77 h ILE 53 Cb 1.17 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2f77 h ILE 53 CO 0.74 0.00 -0.14 0.11 0.00 0.00 0.00 178.15 178.86 2f77 h LYS 54 N 0.00 0.60 0.00 2.37 1.79 -2.01 -2.29 116.57 117.02 2f77 h LYS 54 Ca 0.00 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2f77 h LYS 54 Cb 1.09 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2f77 h LYS 54 CO 0.00 0.72 -0.19 1.19 -1.08 0.00 0.00 179.45 180.09 2f77 n PHE 55 N -4.17 0.26 -0.26 -1.35 3.72 0.24 -3.78 117.46 112.12 2f77 n PHE 55 Ca 0.01 0.08 -0.04 0.00 -0.05 0.00 0.00 57.45 57.44 2f77 n PHE 55 Cb 0.35 -0.56 0.07 0.00 -0.94 0.00 0.00 39.48 38.40 2f77 n PHE 55 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 2f77 h TRP 56 N 0.00 0.88 -0.69 1.38 7.01 -1.39 0.35 115.95 123.49 2f77 h TRP 56 Ca 0.00 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.97 2f77 h TRP 56 Cb 0.58 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 2f77 h TRP 56 CO 0.00 0.53 0.23 0.00 -2.79 0.00 0.00 178.44 176.41 2f77 h ARG 57 N 0.94 1.07 -0.11 2.65 3.08 -1.68 0.45 114.38 120.77 2f77 h ARG 57 Ca 0.28 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 2f77 h ARG 57 Cb -0.06 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 2f77 h ARG 57 CO -0.08 0.91 -0.11 0.00 -1.07 0.00 0.00 179.97 179.63 2f77 h ARG 58 N 1.01 0.27 -0.27 0.04 3.08 -1.56 -0.48 114.38 116.47 2f77 h ARG 58 Ca 0.22 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2f77 h ARG 58 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2f77 h ARG 58 CO -0.01 0.67 0.06 0.28 -1.07 0.00 0.00 179.97 179.91 2f77 h VAL 59 N -0.13 1.21 -0.44 2.04 2.07 -0.19 0.18 116.25 121.00 2f77 h VAL 59 Ca 0.02 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 2f77 h VAL 59 Cb 0.62 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2f77 h VAL 59 CO 0.03 0.23 0.26 1.23 0.02 0.00 0.00 177.57 179.34 2f77 h GLY 60 N 0.26 0.65 1.40 2.17 0.00 -0.12 0.98 103.07 108.41 2f77 h GLY 60 Ca 0.08 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 2f77 h GLY 60 CO 0.00 0.27 -0.18 -0.55 0.00 0.00 0.00 176.54 176.07 2f77 h ASP 61 N 0.59 0.70 -0.16 0.19 3.32 -0.93 -0.63 116.42 119.50 2f77 h ASP 61 Ca 0.16 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 2f77 h ASP 61 Cb 0.01 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2f77 h ASP 61 CO -0.03 0.89 -0.04 0.00 -1.72 0.00 0.00 179.24 178.34 2f77 h PHE 63 N 0.02 1.20 -0.76 0.00 -1.00 -0.72 -2.44 116.94 113.24 2f77 h PHE 63 Ca 0.04 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.69 2f77 h PHE 63 Cb 0.47 -0.34 -0.04 0.00 3.61 0.00 0.00 35.95 39.65 2f77 h PHE 63 CO 0.05 0.96 0.49 0.37 -1.61 0.00 0.00 178.31 178.58 2f77 h GLN 64 N 1.10 1.01 -0.13 1.51 4.15 -1.01 -0.65 115.11 121.09 2f77 h GLN 64 Ca 0.23 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 2f77 h GLN 64 Cb 0.35 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 2f77 h GLN 64 CO -0.00 0.68 0.04 -0.44 -1.93 0.00 0.00 178.83 177.18 2f77 h ASP 65 N 1.04 0.20 -0.53 -0.69 3.32 -0.91 -1.93 116.42 116.92 2f77 h ASP 65 Ca 0.28 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2f77 h ASP 65 Cb -0.10 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 2f77 h ASP 65 CO -0.06 0.35 0.25 1.88 -1.72 0.00 0.00 179.24 179.94 2f77 h TYR 66 N 0.03 0.80 0.49 4.55 0.05 -1.13 0.15 116.97 121.92 2f77 h TYR 66 Ca 0.04 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 2f77 h TYR 66 Cb 0.23 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.72 2f77 h TYR 66 CO -0.00 0.60 -0.24 -0.92 -1.05 0.00 0.00 178.16 176.56 2f77 h TYR 67 N 0.80 -0.61 -0.45 4.88 3.20 -0.81 0.13 116.97 124.12 2f77 h TYR 67 Ca 0.20 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 2f77 h TYR 67 Cb 0.12 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 2f77 h TYR 67 CO 0.01 -0.34 0.02 -0.91 -1.64 0.00 0.00 178.16 175.30 2f77 h ASN 68 N -0.75 0.68 -0.31 -2.11 4.21 -1.17 2.15 115.58 118.27 2f77 h ASN 68 Ca -0.07 -0.15 -0.03 0.00 1.21 0.00 0.00 56.30 57.27 2f77 h ASN 68 Cb 0.55 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.56 2f77 h ASN 68 CO 0.11 0.74 0.08 0.74 -1.29 0.00 0.00 177.43 177.81 2f77 h THR 69 N 0.68 1.21 0.00 2.81 2.02 -0.47 -3.40 112.91 115.76 2f77 h THR 69 Ca 0.14 -0.71 -0.07 0.00 0.77 0.00 0.00 66.41 66.54 2f77 h THR 69 Cb 0.39 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2f77 h THR 69 CO 0.01 0.24 -1.07 0.49 0.37 0.00 0.00 175.52 175.56 2f77 n PHE 70 N -4.66 0.00 -0.32 3.16 3.72 0.45 -5.07 117.46 114.73 2f77 n PHE 70 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2f77 n PHE 70 Cb 0.18 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 2.77 0.81 0.28 1.37 0.00 0.73 -4.87 105.19 106.28 2f77 n GLY 71 Ca -0.09 -1.85 0.16 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 7.14 0.00 0.19 1.61 0.11 -1.80 -3.15 132.00 136.11 2f77 h PRO 72 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 2f77 h PRO 72 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 2f77 h PRO 72 CO 0.00 0.06 -0.26 0.93 -0.21 0.00 0.00 178.00 178.52 2f77 h GLU 73 N 0.00 -0.49 -0.84 1.05 5.08 -1.93 2.11 114.58 119.55 2f77 h GLU 73 Ca -0.00 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2f77 h GLU 73 Cb 0.32 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2f77 h GLU 73 CO 0.01 -0.33 0.45 0.87 -1.00 0.00 0.00 179.01 179.01 2f77 h LYS 74 N -0.51 1.17 -1.89 2.33 1.79 -1.89 -3.37 116.57 114.20 2f77 h LYS 74 Ca 0.01 -0.14 -0.42 0.00 -2.18 0.00 0.00 60.65 57.92 2f77 h LYS 74 Cb 0.50 -0.23 -0.30 0.00 -1.58 0.00 0.00 32.23 30.62 2f77 h LYS 74 CO -0.11 0.86 -0.78 0.14 -1.08 0.00 0.00 179.45 178.48 2f77 s VAL 75 N -5.77 -0.18 0.68 0.50 -7.23 -0.77 -4.99 120.40 102.64 2f77 s VAL 75 Ca -0.12 -1.85 -0.17 0.00 -1.81 0.00 0.00 61.98 58.03 2f77 s VAL 75 Cb 0.17 -0.78 -0.00 0.00 0.56 0.00 0.00 36.38 36.33 2f77 s VAL 75 CO 0.82 -0.76 1.09 -2.65 -0.31 0.00 0.00 175.10 173.29 2f77 n PRO 76 N 3.14 0.75 0.05 4.82 -0.02 0.71 -4.53 135.00 139.92 2f77 n PRO 76 Ca 0.23 0.31 0.02 0.00 -2.02 0.00 0.00 63.50 62.04 2f77 n PRO 76 Cb 0.50 -2.33 0.09 0.00 -0.02 0.00 0.00 33.50 31.74 2f77 n PRO 76 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2f77 n VAL 77 N -2.24 0.80 0.06 -1.45 0.24 -1.26 -0.16 118.33 114.33 2f77 n VAL 77 Ca 0.14 0.58 0.03 0.00 -2.04 0.00 0.00 64.34 63.05 2f77 n VAL 77 Cb 0.49 -1.58 0.39 0.00 -1.47 0.00 0.00 33.84 31.67 2f77 n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2f77 h THR 78 N 0.00 1.15 -0.84 3.34 1.03 -1.95 -2.23 112.91 113.42 2f77 h THR 78 Ca 0.00 -0.55 0.04 0.00 -0.01 0.00 0.00 66.41 65.89 2f77 h THR 78 Cb 0.61 0.92 -0.05 0.00 -1.07 0.00 0.00 68.15 68.55 2f77 h THR 78 CO 0.00 0.19 0.53 0.00 -0.01 0.00 0.00 175.52 176.23 2f77 h ALA 79 N 1.66 1.12 -0.48 0.00 0.00 -0.86 -0.07 119.26 120.63 2f77 h ALA 79 Ca 0.09 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2f77 h ALA 79 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2f77 h ALA 79 CO 0.00 0.34 0.05 0.74 0.00 0.00 0.00 179.25 180.39 2f77 h PHE 80 N 1.02 0.88 -0.54 0.00 -1.00 -1.59 -0.39 116.94 115.32 2f77 h PHE 80 Ca 0.34 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.98 2f77 h PHE 80 Cb 0.05 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.35 2f77 h PHE 80 CO -0.03 0.82 0.30 1.03 -1.61 0.00 0.00 178.31 178.82 2f77 h SER 81 N 0.69 0.66 -0.52 2.17 0.87 -1.12 0.30 113.55 116.60 2f77 h SER 81 Ca 0.14 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 2f77 h SER 81 Cb 0.43 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2f77 h SER 81 CO 0.01 0.56 0.10 1.88 -0.53 0.00 0.00 176.83 178.85 2f77 h TYR 82 N 0.72 0.91 -0.52 2.24 0.05 -0.84 -2.55 116.97 116.98 2f77 h TYR 82 Ca 0.19 -0.12 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 2f77 h TYR 82 Cb 0.03 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 2f77 h TYR 82 CO -0.02 0.81 0.18 2.35 -1.05 0.00 0.00 178.16 180.43 2f77 h TRP 83 N 0.74 0.76 -0.71 4.88 2.91 -0.66 -2.33 115.95 121.55 2f77 h TRP 83 Ca 0.16 -0.05 0.03 0.00 1.13 0.00 0.00 58.89 60.17 2f77 h TRP 83 Cb 0.38 -0.23 -0.04 0.00 -0.51 0.00 0.00 29.16 28.75 2f77 h TRP 83 CO 0.03 0.61 0.44 -0.91 -1.03 0.00 0.00 178.44 177.58 2f77 h ASN 84 N 0.74 0.72 -0.74 2.65 2.35 -0.53 0.79 115.58 121.56 2f77 h ASN 84 Ca 0.17 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 2f77 h ASN 84 Cb 0.19 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 2f77 h ASN 84 CO -0.01 0.49 0.27 -0.07 -1.65 0.00 0.00 177.43 176.46 2f77 h LEU 85 N 0.86 1.05 -0.46 1.61 3.38 -1.24 -2.50 115.31 118.01 2f77 h LEU 85 Ca 0.29 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2f77 h LEU 85 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2f77 h LEU 85 CO -0.11 0.95 0.16 0.40 0.09 0.00 0.00 178.44 179.93 2f77 h ILE 86 N 1.08 1.22 -0.85 1.22 1.08 -0.86 -1.72 117.51 118.68 2f77 h ILE 86 Ca 0.24 -0.70 0.09 0.00 -0.39 0.00 0.00 64.86 64.10 2f77 h ILE 86 Cb 0.25 0.82 -0.06 0.00 -3.07 0.00 0.00 36.82 34.76 2f77 h ILE 86 CO -0.02 0.26 0.55 0.50 -0.69 0.00 0.00 178.15 178.75 2f77 h LYS 87 N 0.60 0.83 -0.31 2.37 3.64 -0.58 -0.60 116.57 122.53 2f77 h LYS 87 Ca 0.15 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.30 2f77 h LYS 87 Cb 0.24 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2f77 h LYS 87 CO -0.01 0.55 -0.52 0.93 -2.27 0.00 0.00 179.45 178.14 2f77 h GLU 88 N 0.86 0.88 -0.13 1.90 5.08 -1.02 0.22 114.58 122.38 2f77 h GLU 88 Ca 0.39 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2f77 h GLU 88 Cb 0.36 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2f77 h GLU 88 CO -0.15 1.18 0.05 -0.07 -1.00 0.00 0.00 179.01 179.01 2f77 h LEU 89 N 0.68 0.18 -0.17 1.33 4.07 -0.34 0.23 115.31 121.30 2f77 h LEU 89 Ca 0.02 -0.18 -0.16 0.00 0.08 0.00 0.00 57.88 57.65 2f77 h LEU 89 Cb 1.12 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.82 2f77 h LEU 89 CO 0.12 0.30 -0.51 0.16 -1.08 0.00 0.00 178.44 177.43 2f77 h ILE 90 N 0.04 1.33 -0.61 1.22 3.07 -1.18 -3.03 117.51 118.35 2f77 h ILE 90 Ca 0.04 -1.76 -0.03 0.00 1.55 0.00 0.00 64.86 64.66 2f77 h ILE 90 Cb 0.19 1.98 -0.03 0.00 -0.27 0.00 0.00 36.82 38.68 2f77 h ILE 90 CO -0.00 0.54 0.25 -0.78 -1.05 0.00 0.00 178.15 177.11 2f77 h ASP 91 N 0.31 0.80 -0.59 2.16 1.82 -0.50 -2.51 116.42 117.91 2f77 h ASP 91 Ca -0.02 -0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.52 2f77 h ASP 91 Cb 1.13 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.90 2f77 h ASP 91 CO 0.11 0.72 0.35 0.50 -1.61 0.00 0.00 179.24 179.31 2f77 h LYS 92 N 0.87 0.80 -6.46 0.28 3.64 -0.49 -3.41 116.57 111.81 2f77 h LYS 92 Ca 0.21 -0.07 -0.53 0.00 -1.27 0.00 0.00 60.65 58.99 2f77 h LYS 92 Cb 0.16 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2f77 h LYS 92 CO -0.02 0.58 0.27 0.21 -2.27 0.00 0.00 179.45 178.22 2f77 s LYS 93 N -5.98 4.61 -0.19 1.90 2.20 -0.95 -5.02 119.74 116.32 2f77 s LYS 93 Ca -0.13 1.28 -0.23 0.00 -0.36 0.00 0.00 55.97 56.53 2f77 s LYS 93 Cb 0.13 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 2f77 s LYS 93 CO 0.76 0.28 0.72 -1.21 -0.36 0.00 0.00 175.35 175.54 2f77 s GLU 94 N -0.14 4.24 0.19 4.03 2.02 -1.26 -4.89 118.70 122.88 2f77 s GLU 94 Ca 0.43 0.80 0.02 0.00 0.02 0.00 0.00 54.97 56.24 2f77 s GLU 94 Cb -0.22 -3.59 -0.05 0.00 0.10 0.00 0.00 34.13 30.37 2f77 s GLU 94 CO 0.27 -0.30 -0.00 0.54 0.02 0.00 0.00 175.26 175.78 2f77 s VAL 95 N 2.11 0.81 -0.56 2.63 0.11 -1.26 -5.11 120.40 119.12 2f77 s VAL 95 Ca 0.33 -2.00 0.04 0.00 -2.93 0.00 0.00 61.98 57.42 2f77 s VAL 95 Cb -0.16 -2.19 0.16 0.00 -1.53 0.00 0.00 36.38 32.66 2f77 s VAL 95 CO 0.11 -0.42 0.40 0.21 -3.33 0.00 0.00 175.10 172.06 2f77 s ASN 96 N -3.22 3.42 0.00 3.54 3.04 -1.26 -5.03 114.94 115.43 2f77 s ASN 96 Ca 0.25 -3.39 0.00 0.00 0.04 0.00 0.00 52.86 49.76 2f77 s ASN 96 Cb 0.06 -1.12 0.00 0.00 -1.54 0.00 0.00 41.25 38.65 2f77 s ASN 96 CO 0.06 -0.14 0.00 -2.65 -3.04 0.00 0.00 177.10 171.32 2f77 n PRO 97 N 2.51 1.95 -0.16 0.43 -0.02 -1.26 -4.85 135.00 133.60 2f77 n PRO 97 Ca 0.22 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.60 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 0.82 -4.96 -0.52 1.08 -1.99 -3.41 115.11 106.13 2f77 h GLN 98 Ca 0.00 -0.27 -0.61 0.00 -1.45 0.00 0.00 58.65 56.32 2f77 h GLN 98 Cb 0.00 -0.07 -0.34 0.00 -0.05 0.00 0.00 27.48 27.03 2f77 h GLN 98 CO 0.00 0.89 -0.85 0.08 -0.95 0.00 0.00 178.83 178.00 2f77 s VAL 99 N -4.96 1.67 -1.52 -0.54 1.01 -1.26 -5.26 120.40 109.53 2f77 s VAL 99 Ca -0.12 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2f77 s VAL 99 Cb 0.11 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2f77 s VAL 99 CO 0.82 0.47 0.38 0.23 0.00 0.00 0.00 175.10 177.00