#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f5y s ARG 15 N 0.00 2.24 -0.14 2.12 1.70 0.20 -4.80 118.95 120.27 2f5y s ARG 15 Ca 0.00 -2.04 -0.03 0.00 -0.47 0.00 0.00 55.73 53.19 2f5y s ARG 15 Cb 0.00 -1.94 -0.03 0.00 -0.57 0.00 0.00 34.95 32.41 2f5y s ARG 15 CO 0.00 -0.41 -0.04 0.71 -1.08 0.00 0.00 175.30 174.48 2f5y s TYR 16 N -2.74 3.01 -0.01 5.89 1.51 -1.26 -0.14 117.35 123.60 2f5y s TYR 16 Ca 0.30 -0.24 0.05 0.00 -1.01 0.00 0.00 57.07 56.17 2f5y s TYR 16 Cb 0.00 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.93 2f5y s TYR 16 CO 0.17 0.04 -0.17 1.03 -1.11 0.00 0.00 175.55 175.51 2f5y s ARG 17 N 0.12 1.41 -0.26 -0.62 1.81 -0.04 -4.98 118.95 116.40 2f5y s ARG 17 Ca -0.01 -0.63 -0.11 0.00 -1.72 0.00 0.00 55.73 53.26 2f5y s ARG 17 Cb -0.14 -1.37 -0.05 0.00 -0.45 0.00 0.00 34.95 32.95 2f5y s ARG 17 CO 0.03 0.38 0.17 -1.14 -0.68 0.00 0.00 175.30 174.06 2f5y s GLN 18 N -0.43 4.00 -0.16 3.54 0.74 -1.26 -0.25 119.66 125.84 2f5y s GLN 18 Ca 0.07 -0.30 0.01 0.00 0.05 0.00 0.00 55.36 55.19 2f5y s GLN 18 Cb -0.07 -3.60 0.01 0.00 1.10 0.00 0.00 33.01 30.46 2f5y s GLN 18 CO -0.01 -0.07 -0.19 0.42 -0.55 0.00 0.00 175.29 174.89 2f5y s ILE 19 N 1.44 2.23 -0.29 -2.34 -1.09 0.76 -4.97 121.20 116.94 2f5y s ILE 19 Ca 0.07 -0.91 -0.07 0.00 -2.23 0.00 0.00 60.65 57.51 2f5y s ILE 19 Cb -0.15 -1.92 0.00 0.00 -1.58 0.00 0.00 42.46 38.81 2f5y s ILE 19 CO 0.08 0.53 0.08 -0.89 -1.23 0.00 0.00 174.94 173.52 2f5y s THR 20 N 1.01 4.05 -0.27 2.92 2.01 -1.26 -0.50 115.64 123.59 2f5y s THR 20 Ca -0.02 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.39 2f5y s THR 20 Cb -0.15 -3.07 0.07 0.00 0.01 0.00 0.00 72.50 69.37 2f5y s THR 20 CO -0.05 0.11 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.28 2f5y s ILE 21 N 1.52 2.12 0.52 1.82 1.01 0.56 -4.81 121.20 123.94 2f5y s ILE 21 Ca 0.03 -1.74 -0.21 0.00 0.00 0.00 0.00 60.65 58.73 2f5y s ILE 21 Cb -0.17 -2.31 -0.06 0.00 0.01 0.00 0.00 42.46 39.93 2f5y s ILE 21 CO 0.03 -0.16 1.16 -2.84 0.00 0.00 0.00 174.94 173.12 2f5y s PRO 22 N 1.09 3.44 0.21 2.79 0.02 -1.26 -1.05 135.00 140.24 2f5y s PRO 22 Ca -0.04 1.71 -0.30 0.00 0.02 0.00 0.00 61.00 62.38 2f5y s PRO 22 Cb -0.20 -2.14 -0.10 0.00 0.02 0.00 0.00 34.50 32.09 2f5y s PRO 22 CO -0.06 -0.80 1.45 0.50 -0.33 0.00 0.00 177.00 177.76 2f5y s ARG 23 N -3.08 4.27 0.00 5.54 3.52 0.90 -4.86 118.95 125.25 2f5y s ARG 23 Ca 0.70 2.27 0.00 0.00 -0.13 0.00 0.00 55.73 58.57 2f5y s ARG 23 Cb -0.27 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 2f5y s ARG 23 CO 0.31 -0.45 0.00 0.41 -0.81 0.00 0.00 175.30 174.76 2f5y n GLY 24 N 2.71 2.18 0.29 8.12 0.00 -0.35 -5.00 105.19 113.15 2f5y n GLY 24 Ca 0.09 -2.05 -0.02 0.00 0.00 0.00 0.00 46.02 44.04 2f5y n GLY 24 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2f5y h LYS 25 N 0.00 0.71 -2.06 1.61 1.63 -2.02 -3.31 116.57 113.13 2f5y h LYS 25 Ca 0.00 -0.16 -0.55 0.00 -0.85 0.00 0.00 60.65 59.09 2f5y h LYS 25 Cb 0.00 -0.10 -0.40 0.00 -0.60 0.00 0.00 32.23 31.13 2f5y h LYS 25 CO 0.00 0.69 -1.00 -3.47 -3.45 0.00 0.00 179.45 172.22 2f5y n ASP 26 N -4.26 1.33 0.00 4.20 -0.08 -1.26 -5.10 116.55 111.37 2f5y n ASP 26 Ca 0.03 -2.99 0.00 0.00 -1.51 0.00 0.00 54.79 50.32 2f5y n ASP 26 Cb 0.25 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 43.08 2f5y n ASP 26 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2f5y n GLY 27 N 0.90 -0.22 0.37 0.27 0.00 -1.25 -4.38 105.19 100.87 2f5y n GLY 27 Ca 0.24 -1.11 0.05 0.00 0.00 0.00 0.00 46.02 45.21 2f5y n GLY 27 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f5y n PHE 28 N 2.71 0.00 -2.77 1.61 3.01 -1.26 -1.21 117.46 119.56 2f5y n PHE 28 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 2f5y n PHE 28 Cb 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.49 2f5y n PHE 28 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2f5y n GLY 29 N 0.67 0.25 3.34 1.37 0.00 -1.26 -1.58 105.19 107.98 2f5y n GLY 29 Ca 0.06 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 2f5y n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2f5y s PHE 30 N -2.97 0.03 0.12 1.61 -0.71 -1.26 -0.59 117.98 114.21 2f5y s PHE 30 Ca 0.19 -0.39 0.10 0.00 -1.04 0.00 0.00 56.93 55.79 2f5y s PHE 30 Cb -0.08 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 2f5y s PHE 30 CO 0.23 -0.72 -0.24 0.99 -1.34 0.00 0.00 175.22 174.14 2f5y s THR 31 N -3.87 2.42 0.31 -4.49 2.01 -0.05 -4.99 115.64 106.98 2f5y s THR 31 Ca 0.08 -1.66 0.08 0.00 0.31 0.00 0.00 61.69 60.49 2f5y s THR 31 Cb 0.02 -2.07 -0.06 0.00 0.01 0.00 0.00 72.50 70.40 2f5y s THR 31 CO -0.07 0.11 -0.07 0.27 -0.69 0.00 0.00 174.62 174.17 2f5y s ILE 32 N -1.07 1.88 0.18 1.82 -4.36 -1.26 0.38 121.20 118.77 2f5y s ILE 32 Ca 0.15 -2.15 -0.16 0.00 -0.26 0.00 0.00 60.65 58.23 2f5y s ILE 32 Cb -0.10 -2.56 0.03 0.00 1.25 0.00 0.00 42.46 41.07 2f5y s ILE 32 CO 0.07 -0.24 0.47 0.00 0.24 0.00 0.00 174.94 175.48 2f5y s ASP 35 N -5.18 3.57 -0.95 0.00 -0.00 -1.26 -3.24 116.67 109.62 2f5y s ASP 35 Ca 0.00 -0.43 -0.09 0.00 -0.00 0.00 0.00 52.55 52.03 2f5y s ASP 35 Cb 0.00 -0.53 -0.02 0.00 -0.00 0.00 0.00 42.92 42.37 2f5y s ASP 35 CO 0.00 0.28 0.76 -1.20 -0.00 0.00 0.00 175.17 175.01 2f5y n SER 36 N 1.88 -6.25 -4.96 0.27 7.64 0.02 -4.62 113.62 107.60 2f5y n SER 36 Ca -0.16 -0.67 -0.23 0.00 1.01 0.00 0.00 58.87 58.82 2f5y n SER 36 Cb 0.52 -4.01 0.04 0.00 -1.01 0.00 0.00 64.21 59.75 2f5y n SER 36 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2f5y s PRO 37 N -4.62 2.65 0.22 1.43 0.04 -0.47 -4.77 135.00 129.48 2f5y s PRO 37 Ca 0.25 -0.54 -0.18 0.00 0.04 0.00 0.00 61.00 60.57 2f5y s PRO 37 Cb -0.07 -2.43 -0.08 0.00 0.04 0.00 0.00 34.50 31.96 2f5y s PRO 37 CO 0.81 -0.70 0.69 0.08 0.04 0.00 0.00 177.00 177.92 2f5y s VAL 38 N -2.82 4.65 0.15 -0.36 1.01 -1.26 -4.79 120.40 116.98 2f5y s VAL 38 Ca 0.55 1.12 0.11 0.00 0.00 0.00 0.00 61.98 63.76 2f5y s VAL 38 Cb -0.10 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2f5y s VAL 38 CO 0.40 0.14 -0.25 -0.60 0.00 0.00 0.00 175.10 174.79 2f5y s ARG 39 N -2.15 1.40 -0.16 2.72 3.52 0.58 -1.53 118.95 123.32 2f5y s ARG 39 Ca 0.44 -1.38 -0.29 0.00 -0.13 0.00 0.00 55.73 54.36 2f5y s ARG 39 Cb -0.15 -1.82 -0.00 0.00 -1.56 0.00 0.00 34.95 31.41 2f5y s ARG 39 CO 0.20 0.42 1.09 0.08 -0.81 0.00 0.00 175.30 176.28 2f5y s VAL 40 N -1.26 4.59 -0.08 7.11 1.01 0.17 -0.83 120.40 131.10 2f5y s VAL 40 Ca 0.15 1.90 -0.15 0.00 0.00 0.00 0.00 61.98 63.88 2f5y s VAL 40 Cb -0.09 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 31.95 2f5y s VAL 40 CO 0.07 -0.10 0.52 1.56 0.00 0.00 0.00 175.10 177.15 2f5y h GLN 41 N 7.48 -0.14 -3.50 2.72 1.08 -0.34 -1.76 115.11 120.66 2f5y h GLN 41 Ca -0.25 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 56.92 2f5y h GLN 41 Cb 1.10 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 28.49 2f5y h GLN 41 CO 0.93 0.22 -0.02 0.00 -0.95 0.00 0.00 178.83 179.01 2f5y s ALA 42 N -3.05 -0.43 -0.02 3.87 0.00 -1.17 -4.61 121.76 116.35 2f5y s ALA 42 Ca -0.09 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.10 2f5y s ALA 42 Cb -0.00 1.00 0.02 0.00 0.00 0.00 0.00 23.12 24.14 2f5y s ALA 42 CO 0.33 -0.90 -0.02 0.08 0.00 0.00 0.00 175.76 175.25 2f5y s VAL 43 N -3.85 0.27 0.20 0.00 1.01 -1.26 -0.87 120.40 115.90 2f5y s VAL 43 Ca 0.20 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 2f5y s VAL 43 Cb -0.02 -0.31 -0.08 0.00 0.00 0.00 0.00 36.38 35.97 2f5y s VAL 43 CO 0.09 0.14 1.05 -1.81 0.00 0.00 0.00 175.10 174.57 2f5y s ASP 44 N 0.67 7.38 -0.07 3.32 1.11 0.24 -4.95 116.67 124.37 2f5y s ASP 44 Ca -0.07 2.05 -0.29 0.00 0.18 0.00 0.00 52.55 54.41 2f5y s ASP 44 Cb -0.10 -2.61 -0.06 0.00 1.07 0.00 0.00 42.92 41.22 2f5y s ASP 44 CO -0.01 -0.11 1.89 -0.55 1.18 0.00 0.00 175.17 177.57 2f5y s SER 45 N -0.45 6.30 -0.07 0.27 0.15 -1.26 -1.83 113.70 116.81 2f5y s SER 45 Ca 0.46 2.26 0.00 0.00 0.70 0.00 0.00 55.95 59.37 2f5y s SER 45 Cb -0.28 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 2f5y s SER 45 CO 0.35 -1.23 0.00 0.61 1.20 0.00 0.00 173.24 174.17 2f5y n GLY 46 N 4.70 0.48 3.97 9.45 0.00 -1.26 -5.05 105.19 117.48 2f5y n GLY 46 Ca 0.21 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 2f5y n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2f5y s GLY 47 N -2.36 1.76 0.22 -0.02 0.00 -0.76 -4.90 107.32 101.26 2f5y s GLY 47 Ca 0.00 -1.47 -0.08 0.00 0.00 0.00 0.00 44.72 43.17 2f5y s GLY 47 CO 0.00 -0.88 1.70 -2.55 0.00 0.00 0.00 173.10 171.36 2f5y h PRO 48 N -0.81 0.26 -0.46 2.90 0.11 -1.87 -2.89 132.00 129.24 2f5y h PRO 48 Ca -0.40 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.58 2f5y h PRO 48 Cb 1.27 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2f5y h PRO 48 CO 0.43 0.17 -0.19 0.00 -0.21 0.00 0.00 178.00 178.20 2f5y h ALA 49 N 1.53 0.64 0.03 -0.75 0.00 -1.51 -2.26 119.26 116.95 2f5y h ALA 49 Ca 0.35 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2f5y h ALA 49 Cb 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2f5y h ALA 49 CO -0.45 0.60 -0.02 1.49 0.00 0.00 0.00 179.25 180.88 2f5y h GLU 50 N 0.78 -0.04 0.00 0.00 4.81 -1.73 -1.04 114.58 117.36 2f5y h GLU 50 Ca 0.11 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 2f5y h GLU 50 Cb 0.75 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2f5y h GLU 50 CO 0.06 0.02 -0.24 0.07 -0.73 0.00 0.00 179.01 178.19 2f5y h ARG 51 N -0.10 0.00 0.00 1.92 0.11 -1.55 -1.53 114.38 113.23 2f5y h ARG 51 Ca -0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2f5y h ARG 51 Cb 0.09 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.16 2f5y h ARG 51 CO 0.01 0.24 -0.13 0.00 0.10 0.00 0.00 179.97 180.18 2f5y h ALA 52 N 1.76 1.62 0.00 0.08 0.00 -1.26 -3.47 119.26 117.99 2f5y h ALA 52 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2f5y h ALA 52 Cb 1.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2f5y h ALA 52 CO 0.03 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2f5y n GLY 53 N -1.03 0.84 3.74 0.00 0.00 -0.58 -4.68 105.19 103.48 2f5y n GLY 53 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2f5y n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2f5y s LEU 54 N 0.00 3.59 0.10 0.99 2.96 -0.47 -5.00 118.68 120.85 2f5y s LEU 54 Ca 0.00 2.58 -0.12 0.00 -0.22 0.00 0.00 54.13 56.37 2f5y s LEU 54 Cb 0.00 -4.61 0.02 0.00 0.50 0.00 0.00 46.19 42.09 2f5y s LEU 54 CO 0.00 -1.94 0.29 0.00 -1.32 0.00 0.00 176.35 173.38 2f5y s GLN 55 N -3.38 0.93 0.69 1.98 -2.07 -1.26 -4.51 119.66 112.03 2f5y s GLN 55 Ca 0.82 -0.81 -0.17 0.00 -1.82 0.00 0.00 55.36 53.37 2f5y s GLN 55 Cb -0.36 0.39 0.01 0.00 -1.09 0.00 0.00 33.01 31.97 2f5y s GLN 55 CO 0.39 -0.33 1.28 1.14 -1.32 0.00 0.00 175.29 176.44 2f5y s GLN 56 N -3.72 2.31 0.00 9.60 -2.07 -1.26 -2.44 119.66 122.08 2f5y s GLN 56 Ca 0.03 2.00 0.00 0.00 -1.82 0.00 0.00 55.36 55.57 2f5y s GLN 56 Cb 0.03 -1.82 0.00 0.00 -1.09 0.00 0.00 33.01 30.13 2f5y s GLN 56 CO -0.11 -1.77 0.00 1.28 -1.32 0.00 0.00 175.29 173.38 2f5y n LEU 57 N -2.26 0.01 -4.69 2.60 7.99 -0.66 -5.00 117.00 114.99 2f5y n LEU 57 Ca 0.15 0.00 -0.44 0.00 -0.01 0.00 0.00 56.01 55.72 2f5y n LEU 57 Cb 0.49 -0.05 -0.03 0.00 -0.11 0.00 0.00 43.42 43.71 2f5y n LEU 57 CO 0.47 -0.00 1.41 0.47 -1.51 0.00 0.00 177.39 178.23 2f5y n ASP 58 N 0.00 3.80 -4.78 -1.43 8.00 -1.02 -4.72 116.55 116.39 2f5y n ASP 58 Ca 0.00 1.01 -0.37 0.00 0.71 0.00 0.00 54.79 56.14 2f5y n ASP 58 Cb 0.00 -1.51 -0.07 0.00 -0.02 0.00 0.00 41.12 39.53 2f5y n ASP 58 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2f5y s THR 59 N 2.32 5.26 -0.26 -3.53 2.01 -0.31 -0.66 115.64 120.47 2f5y s THR 59 Ca 0.82 0.60 -0.16 0.00 0.31 0.00 0.00 61.69 63.25 2f5y s THR 59 Cb -0.54 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 2f5y s THR 59 CO 0.38 0.47 0.43 -0.69 -0.69 0.00 0.00 174.62 174.52 2f5y s VAL 60 N -0.14 5.14 -0.19 3.82 1.01 -0.58 -0.70 120.40 128.76 2f5y s VAL 60 Ca 0.19 0.70 0.08 0.00 0.00 0.00 0.00 61.98 62.95 2f5y s VAL 60 Cb -0.14 -3.75 -0.17 0.00 0.00 0.00 0.00 36.38 32.32 2f5y s VAL 60 CO 0.07 0.14 -0.06 0.18 0.00 0.00 0.00 175.10 175.42 2f5y n LEU 61 N 5.35 1.42 -3.79 3.92 4.77 -0.39 -4.40 117.00 123.89 2f5y n LEU 61 Ca -0.07 -0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.73 2f5y n LEU 61 Cb 0.50 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.34 2f5y n LEU 61 CO 0.38 0.62 -0.09 -1.58 -1.33 0.00 0.00 177.39 175.40 2f5y s GLN 62 N -2.41 0.30 -0.21 3.23 0.74 -1.09 -0.68 119.66 119.54 2f5y s GLN 62 Ca -0.18 0.34 0.02 0.00 0.05 0.00 0.00 55.36 55.59 2f5y s GLN 62 Cb 0.06 0.15 0.04 0.00 1.10 0.00 0.00 33.01 34.35 2f5y s GLN 62 CO 0.59 -0.04 -0.15 -1.17 -0.55 0.00 0.00 175.29 173.97 2f5y s LEU 63 N 0.11 2.54 0.00 3.68 2.96 -0.44 -1.28 118.68 126.25 2f5y s LEU 63 Ca -0.00 -0.92 0.00 0.00 -0.22 0.00 0.00 54.13 52.99 2f5y s LEU 63 Cb -0.02 -1.43 0.00 0.00 0.50 0.00 0.00 46.19 45.24 2f5y s LEU 63 CO 0.00 -0.09 0.00 0.59 -1.32 0.00 0.00 176.35 175.53 2f5y n ASN 64 N 4.58 0.00 0.07 3.68 3.02 0.86 -1.33 115.26 126.14 2f5y n ASN 64 Ca -0.17 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.51 2f5y n ASN 64 Cb 0.47 0.00 0.42 0.00 -0.61 0.00 0.00 39.78 40.06 2f5y n ASN 64 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2f5y n GLU 65 N 14.00 0.20 -3.59 3.52 -0.58 -1.26 -4.87 120.64 128.05 2f5y n GLU 65 Ca 0.00 0.14 -0.38 0.00 -0.42 0.00 0.00 57.16 56.50 2f5y n GLU 65 Cb 0.00 -1.71 -0.11 0.00 -0.57 0.00 0.00 31.44 29.05 2f5y n GLU 65 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2f5y s ARG 66 N -3.08 3.92 0.27 3.49 0.52 -0.44 -5.07 118.95 118.56 2f5y s ARG 66 Ca 0.11 -0.34 -0.30 0.00 -0.52 0.00 0.00 55.73 54.68 2f5y s ARG 66 Cb 0.14 -3.67 -0.10 0.00 0.52 0.00 0.00 34.95 31.84 2f5y s ARG 66 CO 0.60 -0.20 1.38 -1.25 0.02 0.00 0.00 175.30 175.86 2f5y s PRO 67 N 1.76 4.31 -0.14 3.54 0.04 -1.26 -1.33 135.00 141.92 2f5y s PRO 67 Ca 0.07 2.24 0.18 0.00 0.04 0.00 0.00 61.00 63.54 2f5y s PRO 67 Cb -0.16 -3.11 0.44 0.00 0.04 0.00 0.00 34.50 31.71 2f5y s PRO 67 CO 0.11 -0.33 1.18 1.33 0.04 0.00 0.00 177.00 179.33 2f5y n VAL 68 N 1.92 1.22 0.28 -0.36 0.24 0.14 -4.91 118.33 116.86 2f5y n VAL 68 Ca 0.05 -2.39 0.11 0.00 -2.04 0.00 0.00 64.34 60.07 2f5y n VAL 68 Cb 0.41 0.37 0.60 0.00 -1.47 0.00 0.00 33.84 33.75 2f5y n VAL 68 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2f5y h GLU 69 N 1.33 0.00 0.00 7.34 3.07 -1.78 -2.79 114.58 121.75 2f5y h GLU 69 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2f5y h GLU 69 Cb 1.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 2f5y h GLU 69 CO 0.15 0.00 0.00 -2.39 -1.40 0.00 0.00 179.01 175.37 2f5y n HIS 70 N -2.59 0.00 -3.28 4.33 1.44 -1.26 -1.36 115.22 112.50 2f5y n HIS 70 Ca -0.01 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.41 2f5y n HIS 70 Cb 0.42 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.50 2f5y n HIS 70 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2f5y s TRP 71 N 0.00 3.48 0.57 -1.40 0.52 -1.06 -4.63 118.94 116.42 2f5y s TRP 71 Ca 0.00 0.68 -0.13 0.00 0.02 0.00 0.00 56.10 56.67 2f5y s TRP 71 Cb 0.00 -2.14 -0.06 0.00 -1.15 0.00 0.00 33.47 30.13 2f5y s TRP 71 CO 0.00 0.14 0.99 0.15 0.02 0.00 0.00 176.95 178.25 2f5y s LYS 72 N -3.62 3.73 0.16 4.98 1.02 -1.26 -0.80 119.74 123.96 2f5y s LYS 72 Ca 0.45 0.79 -0.20 0.00 0.02 0.00 0.00 55.97 57.03 2f5y s LYS 72 Cb -0.11 -2.13 0.06 0.00 -0.52 0.00 0.00 37.83 35.14 2f5y s LYS 72 CO 0.30 -0.42 1.65 0.00 -0.92 0.00 0.00 175.35 175.97 2f5y h VAL 74 N -0.12 1.23 -0.02 0.00 2.07 -1.94 -1.43 116.25 116.03 2f5y h VAL 74 Ca 0.16 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 2f5y h VAL 74 Cb 0.37 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2f5y h VAL 74 CO -0.39 0.32 0.01 -0.33 0.02 0.00 0.00 177.57 177.20 2f5y h GLU 75 N 0.39 0.04 -0.32 1.57 5.08 -1.88 -2.54 114.58 116.92 2f5y h GLU 75 Ca 0.07 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2f5y h GLU 75 Cb 0.50 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2f5y h GLU 75 CO 0.03 0.18 0.11 1.25 -1.00 0.00 0.00 179.01 179.58 2f5y h LEU 76 N -0.12 0.47 -0.59 1.33 5.85 -1.00 -2.03 115.31 119.22 2f5y h LEU 76 Ca 0.01 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.62 2f5y h LEU 76 Cb 0.16 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 2f5y h LEU 76 CO -0.00 0.54 0.20 0.00 -0.34 0.00 0.00 178.44 178.85 2f5y h ALA 77 N 0.94 0.74 -0.83 1.25 0.00 -1.31 0.12 119.26 120.18 2f5y h ALA 77 Ca 0.11 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2f5y h ALA 77 Cb 0.24 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2f5y h ALA 77 CO -0.00 -0.22 0.52 1.25 0.00 0.00 0.00 179.25 180.80 2f5y h HIS 78 N 0.37 0.97 -0.14 0.00 -0.00 -1.10 -1.26 115.15 113.98 2f5y h HIS 78 Ca 0.30 0.03 -0.20 0.00 -0.00 0.00 0.00 60.37 60.49 2f5y h HIS 78 Cb 0.37 -0.32 0.01 0.00 -0.00 0.00 0.00 27.41 27.48 2f5y h HIS 78 CO -0.18 0.52 -0.69 1.49 -0.00 0.00 0.00 177.93 179.07 2f5y h GLU 79 N 0.98 0.72 -0.17 5.26 4.57 -0.57 -2.91 114.58 122.47 2f5y h GLU 79 Ca 0.35 -0.58 0.03 0.00 -1.18 0.00 0.00 59.36 57.97 2f5y h GLU 79 Cb 0.09 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2f5y h GLU 79 CO -0.14 1.20 0.01 0.82 -1.18 0.00 0.00 179.01 179.71 2f5y h ILE 80 N 0.42 0.90 0.00 2.32 2.04 -0.63 -2.22 117.51 120.34 2f5y h ILE 80 Ca -0.05 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2f5y h ILE 80 Cb 1.33 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2f5y h ILE 80 CO 0.14 0.01 0.00 0.03 0.00 0.00 0.00 178.15 178.34 2f5y h ARG 81 N 0.07 0.00 -0.04 2.37 3.08 -1.21 -2.39 114.38 116.26 2f5y h ARG 81 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2f5y h ARG 81 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2f5y h ARG 81 CO -0.12 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.21 2f5y n SER 82 N -2.55 2.33 -4.71 7.04 7.64 -0.85 -4.91 113.62 117.61 2f5y n SER 82 Ca -0.00 -1.78 -0.41 0.00 1.01 0.00 0.00 58.87 57.69 2f5y n SER 82 Cb 0.15 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.31 2f5y n SER 82 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2f5y h PRO 84 N 6.67 0.28 0.00 0.00 0.11 -1.91 -3.43 132.00 133.73 2f5y h PRO 84 Ca -0.41 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2f5y h PRO 84 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2f5y h PRO 84 CO 0.75 0.55 -0.90 0.43 -0.21 0.00 0.00 178.00 178.62 2f5y n SER 85 N -4.71 2.09 -3.48 -2.05 7.64 -1.26 -4.85 113.62 107.00 2f5y n SER 85 Ca -0.05 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.68 2f5y n SER 85 Cb 0.25 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.41 2f5y n SER 85 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2f5y s GLU 86 N -1.94 1.11 0.04 1.43 -1.05 -1.26 -0.07 118.70 116.96 2f5y s GLU 86 Ca 0.00 -0.07 0.04 0.00 -0.15 0.00 0.00 54.97 54.79 2f5y s GLU 86 Cb 0.00 0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 34.17 2f5y s GLU 86 CO 0.00 -0.42 -0.04 0.96 0.95 0.00 0.00 175.26 176.71 2f5y s ILE 87 N -2.32 3.80 -0.24 1.83 -4.36 -0.22 -4.96 121.20 114.74 2f5y s ILE 87 Ca -0.05 -0.85 0.01 0.00 -0.26 0.00 0.00 60.65 59.50 2f5y s ILE 87 Cb -0.00 -2.72 0.04 0.00 1.25 0.00 0.00 42.46 41.03 2f5y s ILE 87 CO -0.01 0.29 -0.11 -0.63 0.24 0.00 0.00 174.94 174.72 2f5y s ILE 88 N -1.12 2.40 -0.13 8.37 1.01 -1.26 -0.32 121.20 130.15 2f5y s ILE 88 Ca 0.20 -1.25 -0.04 0.00 0.00 0.00 0.00 60.65 59.57 2f5y s ILE 88 Cb -0.11 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 2f5y s ILE 88 CO 0.11 0.19 0.00 -0.76 0.00 0.00 0.00 174.94 174.48 2f5y s LEU 89 N 1.23 3.52 -0.25 2.97 1.43 0.34 -0.10 118.68 127.82 2f5y s LEU 89 Ca -0.02 0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 2f5y s LEU 89 Cb -0.17 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2f5y s LEU 89 CO -0.07 0.26 0.29 -0.22 0.23 0.00 0.00 176.35 176.85 2f5y s LEU 90 N -0.18 4.07 0.25 1.79 2.96 -0.40 -0.17 118.68 126.99 2f5y s LEU 90 Ca 0.05 0.23 0.12 0.00 -0.22 0.00 0.00 54.13 54.30 2f5y s LEU 90 Cb -0.13 -2.31 -0.05 0.00 0.50 0.00 0.00 46.19 44.21 2f5y s LEU 90 CO 0.02 -0.08 -0.20 0.68 -1.32 0.00 0.00 176.35 175.44 2f5y s VAL 91 N 1.66 2.49 -0.18 1.68 -7.23 0.66 -1.26 120.40 118.22 2f5y s VAL 91 Ca 0.12 -2.27 -0.02 0.00 -1.81 0.00 0.00 61.98 58.00 2f5y s VAL 91 Cb -0.15 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 2f5y s VAL 91 CO 0.09 -0.31 -0.09 0.86 -0.31 0.00 0.00 175.10 175.34 2f5y s TRP 92 N -2.25 2.89 0.06 2.82 -0.00 0.12 -0.86 118.94 121.73 2f5y s TRP 92 Ca 0.27 -0.88 0.01 0.00 -0.00 0.00 0.00 56.10 55.50 2f5y s TRP 92 Cb -0.06 -1.99 -0.03 0.00 -0.00 0.00 0.00 33.47 31.39 2f5y s TRP 92 CO 0.14 -0.44 -0.05 -0.98 -0.00 0.00 0.00 176.95 175.62 2f5y s ARG 93 N 1.02 0.62 -0.24 5.86 1.70 0.80 -1.16 118.95 127.54 2f5y s ARG 93 Ca -0.00 -1.07 -0.27 0.00 -0.47 0.00 0.00 55.73 53.91 2f5y s ARG 93 Cb -0.15 -0.04 0.01 0.00 -0.57 0.00 0.00 34.95 34.20 2f5y s ARG 93 CO -0.01 -0.04 0.97 1.41 -1.08 0.00 0.00 175.30 176.55 2f5y s MET 94 N -3.04 4.21 0.00 3.89 -2.45 -1.26 0.61 119.30 121.25 2f5y s MET 94 Ca 0.02 1.18 0.00 0.00 -1.25 0.00 0.00 55.69 55.63 2f5y s MET 94 Cb 0.01 -3.65 0.00 0.00 1.25 0.00 0.00 34.83 32.43 2f5y s MET 94 CO -0.05 -0.62 0.24 0.28 1.05 0.00 0.00 175.02 175.93