#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ff0 s GLU 11 N 0.00 3.18 -0.10 -0.67 2.02 -1.26 -4.98 118.70 116.90 2ff0 s GLU 11 Ca 0.00 -0.58 -0.06 0.00 0.02 0.00 0.00 54.97 54.35 2ff0 s GLU 11 Cb 0.00 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 2ff0 s GLU 11 CO 0.00 0.58 0.15 -0.51 0.02 0.00 0.00 175.26 175.50 2ff0 s LEU 12 N -2.55 4.39 0.01 1.80 1.02 -1.26 0.20 118.68 122.29 2ff0 s LEU 12 Ca 0.32 0.45 -0.33 0.00 0.02 0.00 0.00 54.13 54.59 2ff0 s LEU 12 Cb -0.12 -2.17 -0.12 0.00 0.02 0.00 0.00 46.19 43.80 2ff0 s LEU 12 CO 0.25 0.38 1.83 0.00 0.02 0.00 0.00 176.35 178.83 2ff0 n PRO 14 N 5.95 0.03 0.09 0.00 -0.04 -1.26 -1.65 135.00 138.12 2ff0 n PRO 14 Ca 0.20 0.35 -0.13 0.00 -0.04 0.00 0.00 63.50 63.89 2ff0 n PRO 14 Cb 0.32 -1.58 -0.13 0.00 -0.04 0.00 0.00 33.50 32.07 2ff0 n PRO 14 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ff0 h VAL 15 N 0.00 1.55 0.00 0.52 2.07 -1.88 -3.47 116.25 115.03 2ff0 h VAL 15 Ca 0.00 -3.17 0.00 0.00 0.82 0.00 0.00 66.70 64.35 2ff0 h VAL 15 Cb 0.20 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2ff0 h VAL 15 CO 0.00 0.91 0.00 0.00 0.02 0.00 0.00 177.57 178.50 2ff0 n GLY 17 N 0.62 0.00 3.49 0.00 0.00 -0.92 -4.86 105.19 103.52 2ff0 n GLY 17 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2ff0 n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ff0 s ASP 18 N 0.00 3.85 0.09 1.61 1.01 -1.26 -4.80 116.67 117.18 2ff0 s ASP 18 Ca 0.00 -0.60 -0.34 0.00 0.71 0.00 0.00 52.55 52.32 2ff0 s ASP 18 Cb 0.00 -0.52 -0.13 0.00 1.01 0.00 0.00 42.92 43.28 2ff0 s ASP 18 CO 0.00 0.17 1.69 0.29 0.21 0.00 0.00 175.17 177.53 2ff0 n LYS 19 N 0.67 2.24 -1.97 8.23 5.02 -1.26 0.53 118.16 131.62 2ff0 n LYS 19 Ca -0.15 0.81 -0.37 0.00 -2.02 0.00 0.00 58.31 56.58 2ff0 n LYS 19 Cb 0.53 -2.62 0.03 0.00 -0.02 0.00 0.00 35.03 32.95 2ff0 n LYS 19 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2ff0 s VAL 20 N 1.97 2.51 -0.32 -0.18 -7.23 0.13 -4.66 120.40 112.62 2ff0 s VAL 20 Ca 0.83 0.35 0.12 0.00 -1.81 0.00 0.00 61.98 61.47 2ff0 s VAL 20 Cb -0.66 -3.16 0.74 0.00 0.56 0.00 0.00 36.38 33.86 2ff0 s VAL 20 CO 0.41 -0.03 1.65 -1.20 -0.31 0.00 0.00 175.10 175.62 2ff0 n SER 21 N -1.18 5.25 0.00 4.85 7.64 -0.31 -4.78 113.62 125.10 2ff0 n SER 21 Ca 0.11 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 57.11 2ff0 n SER 21 Cb 0.48 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2ff0 n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ff0 n GLY 22 N 0.49 1.13 3.49 0.23 0.00 -1.25 -4.95 105.19 104.33 2ff0 n GLY 22 Ca 0.27 -2.29 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 2ff0 n GLY 22 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ff0 s TYR 23 N -1.15 3.04 -0.04 1.61 5.04 -1.26 -2.43 117.35 122.17 2ff0 s TYR 23 Ca 0.00 -0.27 -0.22 0.00 -2.44 0.00 0.00 57.07 54.13 2ff0 s TYR 23 Cb 0.00 -3.46 0.05 0.00 0.35 0.00 0.00 41.96 38.90 2ff0 s TYR 23 CO 0.00 -0.97 0.49 -3.38 -1.34 0.00 0.00 175.55 170.35 2ff0 s HIS 24 N 2.80 -0.42 -0.58 4.97 -3.43 0.74 -4.86 115.29 114.52 2ff0 s HIS 24 Ca 0.19 0.71 0.00 0.00 -0.80 0.00 0.00 55.06 55.16 2ff0 s HIS 24 Cb -0.16 0.24 0.00 0.00 -1.43 0.00 0.00 32.58 31.23 2ff0 s HIS 24 CO 0.16 -0.49 0.00 0.66 -2.00 0.00 0.00 174.74 173.07 2ff0 n TYR 25 N 1.16 0.00 -0.77 0.38 4.02 -1.26 -2.31 117.16 118.38 2ff0 n TYR 25 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 2ff0 n TYR 25 Cb 0.56 -1.51 0.00 0.00 -0.02 0.00 0.00 39.34 38.37 2ff0 n TYR 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ff0 n GLY 26 N -1.38 0.55 3.41 2.72 0.00 -1.26 -1.98 105.19 107.24 2ff0 n GLY 26 Ca -0.05 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 2ff0 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ff0 s LEU 27 N 0.00 0.15 -0.68 0.99 1.43 -0.98 -4.90 118.68 114.70 2ff0 s LEU 27 Ca 0.00 -0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 52.47 2ff0 s LEU 27 Cb 0.00 2.05 0.03 0.00 0.03 0.00 0.00 46.19 48.30 2ff0 s LEU 27 CO 0.00 -0.95 1.23 -0.76 0.23 0.00 0.00 176.35 176.10 2ff0 s LEU 28 N -2.83 3.32 0.07 1.79 2.01 -1.26 -0.18 118.68 121.59 2ff0 s LEU 28 Ca 0.06 -0.27 0.06 0.00 0.01 0.00 0.00 54.13 53.99 2ff0 s LEU 28 Cb 0.00 -2.78 -0.03 0.00 0.01 0.00 0.00 46.19 43.40 2ff0 s LEU 28 CO -0.08 -1.69 -0.16 0.42 1.01 0.00 0.00 176.35 175.85 2ff0 s THR 29 N 5.38 1.26 0.50 5.49 -4.23 -1.02 -4.29 115.64 118.73 2ff0 s THR 29 Ca 0.37 -1.28 -0.05 0.00 -1.18 0.00 0.00 61.69 59.55 2ff0 s THR 29 Cb -0.08 -1.18 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 2ff0 s THR 29 CO 0.19 -0.12 0.80 0.00 -0.54 0.00 0.00 174.62 174.94 2ff0 h GLU 31 N 0.16 0.29 -0.28 0.00 4.57 -1.92 -1.80 114.58 115.60 2ff0 h GLU 31 Ca -0.47 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 57.73 2ff0 h GLU 31 Cb 1.22 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.71 2ff0 h GLU 31 CO 0.61 0.19 0.07 0.77 -1.18 0.00 0.00 179.01 179.47 2ff0 h SER 32 N 0.30 0.04 -0.13 1.04 0.02 -1.97 0.25 113.55 113.09 2ff0 h SER 32 Ca 0.14 0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.94 2ff0 h SER 32 Cb 0.19 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2ff0 h SER 32 CO -0.03 0.06 -0.63 0.00 -1.14 0.00 0.00 176.83 175.08 2ff0 h LYS 34 N 0.55 0.85 0.08 0.00 3.64 -0.95 0.41 116.57 121.15 2ff0 h LYS 34 Ca -0.01 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2ff0 h LYS 34 Cb 1.23 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2ff0 h LYS 34 CO 0.13 0.57 -0.04 0.78 -2.27 0.00 0.00 179.45 178.62 2ff0 h GLY 35 N 0.88 -0.11 1.07 5.01 0.00 -0.45 -1.32 103.07 108.15 2ff0 h GLY 35 Ca 0.25 0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 2ff0 h GLY 35 CO -0.07 -0.04 0.08 -2.75 0.00 0.00 0.00 176.54 173.76 2ff0 h PHE 36 N -0.17 1.16 -0.41 5.60 3.57 -1.18 -2.14 116.94 123.37 2ff0 h PHE 36 Ca -0.01 -0.17 0.03 0.00 3.53 0.00 0.00 57.97 61.34 2ff0 h PHE 36 Cb 0.14 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 2ff0 h PHE 36 CO -0.05 0.99 0.22 0.35 -2.23 0.00 0.00 178.31 177.58 2ff0 h PHE 37 N 1.00 0.41 0.49 0.41 3.57 -0.08 -0.31 116.94 122.42 2ff0 h PHE 37 Ca 0.19 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 2ff0 h PHE 37 Cb 0.47 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2ff0 h PHE 37 CO 0.03 0.22 -0.42 0.87 -2.23 0.00 0.00 178.31 176.78 2ff0 h LYS 38 N 0.44 -0.87 -0.31 1.11 1.57 -1.07 0.70 116.57 118.14 2ff0 h LYS 38 Ca 0.17 0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.10 2ff0 h LYS 38 Cb 0.05 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2ff0 h LYS 38 CO -0.10 -0.58 0.23 0.00 -0.57 0.00 0.00 179.45 178.42 2ff0 h ARG 39 N -0.91 0.00 0.00 3.15 3.08 -1.03 0.66 114.38 119.33 2ff0 h ARG 39 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2ff0 h ARG 39 Cb 0.78 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 2ff0 h ARG 39 CO -0.03 0.00 -0.18 1.15 -1.07 0.00 0.00 179.97 179.85 2ff0 h THR 40 N 0.00 0.64 -0.36 2.04 2.02 -0.78 -3.35 112.91 113.13 2ff0 h THR 40 Ca 0.15 -1.53 -0.13 0.00 0.77 0.00 0.00 66.41 65.67 2ff0 h THR 40 Cb 0.60 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 2ff0 h THR 40 CO -0.00 0.22 -0.29 0.58 0.37 0.00 0.00 175.52 176.39 2ff0 h VAL 41 N -1.00 1.28 0.00 3.16 2.07 -0.61 0.19 116.25 121.34 2ff0 h VAL 41 Ca -0.03 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 2ff0 h VAL 41 Cb 0.49 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2ff0 h VAL 41 CO -0.02 0.47 -0.02 1.56 0.02 0.00 0.00 177.57 179.59 2ff0 h GLN 42 N 0.65 0.00 -0.06 1.57 4.20 -1.06 -0.64 115.11 119.77 2ff0 h GLN 42 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2ff0 h GLN 42 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2ff0 h GLN 42 CO 0.07 0.02 0.00 0.09 -0.67 0.00 0.00 178.83 178.34 2ff0 n ASN 43 N -3.30 1.88 -3.02 1.46 3.02 -1.02 -4.94 115.26 109.33 2ff0 n ASN 43 Ca -0.02 -1.47 -0.23 0.00 -0.03 0.00 0.00 54.58 52.84 2ff0 n ASN 43 Cb 0.13 -0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.30 2ff0 n ASN 43 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ff0 n ASN 44 N 0.43 -6.18 -4.66 6.41 5.03 -0.25 -4.89 115.26 111.14 2ff0 n ASN 44 Ca 0.06 -0.29 -0.43 0.00 0.87 0.00 0.00 54.58 54.79 2ff0 n ASN 44 Cb 0.24 -4.99 -0.02 0.00 -1.02 0.00 0.00 39.78 33.99 2ff0 n ASN 44 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2ff0 s LYS 45 N -5.71 4.24 -0.51 3.52 1.02 -0.05 -4.98 119.74 117.27 2ff0 s LYS 45 Ca 0.31 1.77 -0.06 0.00 0.02 0.00 0.00 55.97 58.00 2ff0 s LYS 45 Cb -0.14 -3.77 0.13 0.00 -0.52 0.00 0.00 37.83 33.54 2ff0 s LYS 45 CO 0.38 -0.70 0.35 -1.01 -0.92 0.00 0.00 175.35 173.46 2ff0 s HIS 46 N 3.39 3.50 1.05 3.18 3.76 -1.26 -4.83 115.29 124.08 2ff0 s HIS 46 Ca 0.58 -2.23 -0.16 0.00 -0.15 0.00 0.00 55.06 53.11 2ff0 s HIS 46 Cb -0.24 -3.38 0.22 0.00 1.11 0.00 0.00 32.58 30.29 2ff0 s HIS 46 CO 0.18 -0.96 1.15 0.71 -0.85 0.00 0.00 174.74 174.97 2ff0 s TYR 47 N 0.92 1.48 -0.04 1.40 2.02 -1.26 -5.08 117.35 116.79 2ff0 s TYR 47 Ca 0.10 0.65 0.01 0.00 -0.37 0.00 0.00 57.07 57.46 2ff0 s TYR 47 Cb -0.23 -3.50 0.02 0.00 -0.40 0.00 0.00 41.96 37.85 2ff0 s TYR 47 CO -0.03 -3.13 -0.03 0.99 -1.57 0.00 0.00 175.55 171.78 2ff0 s THR 48 N -3.20 0.40 0.37 -0.71 2.01 -1.26 -4.82 115.64 108.44 2ff0 s THR 48 Ca 0.68 -0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.68 2ff0 s THR 48 Cb -0.12 -0.45 -0.01 0.00 0.01 0.00 0.00 72.50 71.93 2ff0 s THR 48 CO 0.55 0.19 0.53 0.00 -0.69 0.00 0.00 174.62 175.21 2ff0 h THR 50 N 0.74 0.00 0.00 0.00 1.35 -1.97 -3.45 112.91 109.58 2ff0 h THR 50 Ca -0.46 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2ff0 h THR 50 Cb 1.26 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 2ff0 h THR 50 CO 0.54 0.00 0.00 -1.84 -0.25 0.00 0.00 175.52 173.97 2ff0 n GLU 51 N -3.83 3.07 0.00 4.72 0.28 -1.26 -4.81 120.64 118.81 2ff0 n GLU 51 Ca -0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.00 2ff0 n GLU 51 Cb 0.15 0.00 0.31 0.00 1.43 0.00 0.00 31.44 33.33 2ff0 n GLU 51 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2ff0 n SER 52 N 0.00 0.00 0.00 -1.84 7.64 -1.26 -4.80 113.62 113.36 2ff0 n SER 52 Ca 0.00 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.55 2ff0 n SER 52 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2ff0 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ff0 n GLN 53 N -1.00 -0.97 -3.52 1.43 6.02 -1.26 -4.90 117.38 113.18 2ff0 n GLN 53 Ca 0.08 0.24 -0.38 0.00 -0.01 0.00 0.00 57.00 56.94 2ff0 n GLN 53 Cb 0.04 -4.06 -0.05 0.00 1.02 0.00 0.00 30.24 27.19 2ff0 n GLN 53 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2ff0 n SER 54 N -0.48 4.59 -4.96 1.08 7.64 -1.26 -4.54 113.62 115.68 2ff0 n SER 54 Ca 0.00 -3.16 -0.20 0.00 1.01 0.00 0.00 58.87 56.52 2ff0 n SER 54 Cb 0.24 -1.10 0.01 0.00 -1.01 0.00 0.00 64.21 62.35 2ff0 n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ff0 s LYS 56 N -4.37 4.47 -0.53 0.00 1.02 -1.26 -5.01 119.74 114.06 2ff0 s LYS 56 Ca 0.52 1.09 -0.09 0.00 0.02 0.00 0.00 55.97 57.50 2ff0 s LYS 56 Cb -0.06 -3.08 0.13 0.00 -0.52 0.00 0.00 37.83 34.31 2ff0 s LYS 56 CO 0.31 0.48 0.41 0.42 -0.92 0.00 0.00 175.35 176.05 2ff0 s ILE 57 N -1.33 4.35 0.44 2.17 -1.09 -1.26 -4.63 121.20 119.85 2ff0 s ILE 57 Ca 0.40 -1.96 0.03 0.00 -2.23 0.00 0.00 60.65 56.89 2ff0 s ILE 57 Cb -0.20 -3.84 -0.02 0.00 -1.58 0.00 0.00 42.46 36.82 2ff0 s ILE 57 CO 0.24 -0.82 0.11 1.51 -1.23 0.00 0.00 174.94 174.75 2ff0 s ASP 58 N 2.47 3.13 0.42 3.58 1.47 -1.26 -4.56 116.67 121.92 2ff0 s ASP 58 Ca 0.08 -1.70 0.15 0.00 1.18 0.00 0.00 52.55 52.26 2ff0 s ASP 58 Cb -0.24 0.57 1.03 0.00 -0.34 0.00 0.00 42.92 43.94 2ff0 s ASP 58 CO -0.02 -0.95 1.90 0.50 0.68 0.00 0.00 175.17 177.28 2ff0 h LYS 59 N 1.66 0.43 0.00 2.11 3.64 -1.96 0.10 116.57 122.55 2ff0 h LYS 59 Ca -0.36 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 58.78 2ff0 h LYS 59 Cb 1.28 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 2ff0 h LYS 59 CO 0.59 0.29 -1.15 1.79 -2.27 0.00 0.00 179.45 178.70 2ff0 h THR 60 N 0.45 0.98 0.00 1.00 1.35 -1.98 -3.40 112.91 111.31 2ff0 h THR 60 Ca 0.40 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 2ff0 h THR 60 Cb 0.91 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 2ff0 h THR 60 CO -0.14 0.33 0.00 1.56 -0.25 0.00 0.00 175.52 177.02 2ff0 h GLN 61 N -1.00 0.00 0.00 4.72 4.20 -1.79 -2.39 115.11 118.86 2ff0 h GLN 61 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2ff0 h GLN 61 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 2ff0 h GLN 61 CO -0.19 0.00 0.00 2.89 -0.67 0.00 0.00 178.83 180.86 2ff0 n ARG 62 N -2.49 0.26 -0.10 1.46 1.85 -0.00 -1.23 116.66 116.40 2ff0 n ARG 62 Ca 0.03 0.12 -0.24 0.00 -1.00 0.00 0.00 57.85 56.76 2ff0 n ARG 62 Cb 0.31 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.10 2ff0 n ARG 62 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2ff0 n LYS 63 N -1.27 0.63 0.14 2.89 5.02 -0.90 -4.45 118.16 120.22 2ff0 n LYS 63 Ca 0.08 0.32 0.01 0.00 -2.02 0.00 0.00 58.31 56.70 2ff0 n LYS 63 Cb 0.13 -1.61 0.14 0.00 -0.02 0.00 0.00 35.03 33.68 2ff0 n LYS 63 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2ff0 h ARG 64 N -0.57 0.00 -3.24 1.97 0.11 -1.61 -3.35 114.38 107.71 2ff0 h ARG 64 Ca -0.53 0.00 -0.67 0.00 0.10 0.00 0.00 59.98 58.88 2ff0 h ARG 64 Cb 1.68 0.00 -0.38 0.00 1.11 0.00 0.00 29.97 32.38 2ff0 h ARG 64 CO -0.19 0.58 -0.32 0.00 0.10 0.00 0.00 179.97 180.13 2ff0 h PRO 66 N 5.82 0.34 0.10 0.00 0.13 -1.78 -1.33 132.00 135.29 2ff0 h PRO 66 Ca 0.14 -0.15 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 2ff0 h PRO 66 Cb 0.80 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2ff0 h PRO 66 CO 0.79 0.66 -0.05 0.35 -0.23 0.00 0.00 178.00 179.52 2ff0 h PHE 67 N 0.29 -0.13 -0.88 1.56 3.57 -1.89 0.40 116.94 119.86 2ff0 h PHE 67 Ca 0.03 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2ff0 h PHE 67 Cb 0.78 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 2ff0 h PHE 67 CO 0.02 0.10 0.55 0.00 -2.23 0.00 0.00 178.31 176.75 2ff0 h ARG 69 N 1.21 0.41 0.08 0.00 2.43 -1.11 0.13 114.38 117.52 2ff0 h ARG 69 Ca 0.32 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2ff0 h ARG 69 Cb -0.08 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2ff0 h ARG 69 CO -0.06 0.31 -0.04 0.35 -1.51 0.00 0.00 179.97 179.02 2ff0 h PHE 70 N 0.39 -0.09 -0.97 2.20 3.57 -0.41 -1.84 116.94 119.78 2ff0 h PHE 70 Ca 0.11 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.62 2ff0 h PHE 70 Cb 0.00 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 2ff0 h PHE 70 CO -0.04 -0.00 0.64 1.96 -2.23 0.00 0.00 178.31 178.63 2ff0 h GLN 71 N -0.16 1.25 -0.53 1.11 1.08 -0.76 -1.08 115.11 116.02 2ff0 h GLN 71 Ca -0.01 -0.07 0.07 0.00 -1.45 0.00 0.00 58.65 57.19 2ff0 h GLN 71 Cb 0.14 -0.28 -0.06 0.00 -0.05 0.00 0.00 27.48 27.22 2ff0 h GLN 71 CO 0.02 0.82 0.19 -0.22 -0.95 0.00 0.00 178.83 178.69 2ff0 h LYS 72 N 1.28 0.35 -0.23 1.46 1.63 -0.49 0.37 116.57 120.94 2ff0 h LYS 72 Ca 0.36 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.19 2ff0 h LYS 72 Cb -0.10 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.41 2ff0 h LYS 72 CO -0.09 0.23 -0.06 0.00 -3.45 0.00 0.00 179.45 176.08 2ff0 h LEU 74 N -0.01 0.25 -0.47 0.00 4.07 -0.91 -0.76 115.31 117.48 2ff0 h LEU 74 Ca 0.11 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 2ff0 h LEU 74 Cb 0.18 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 2ff0 h LEU 74 CO -0.24 0.58 0.18 0.74 -1.08 0.00 0.00 178.44 178.62 2ff0 h THR 75 N 0.22 1.21 0.00 0.22 2.02 0.57 -2.57 112.91 114.58 2ff0 h THR 75 Ca 0.03 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 2ff0 h THR 75 Cb 0.70 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2ff0 h THR 75 CO 0.05 0.24 -0.21 -0.37 0.37 0.00 0.00 175.52 175.61 2ff0 h VAL 76 N 0.62 0.43 0.00 3.16 -1.51 -1.26 -3.47 116.25 114.23 2ff0 h VAL 76 Ca 0.16 -1.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 2ff0 h VAL 76 Cb 0.20 1.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 2ff0 h VAL 76 CO -0.01 0.21 0.00 0.61 -1.23 0.00 0.00 177.57 177.14 2ff0 n GLY 77 N 0.57 1.70 3.65 5.19 0.00 -0.97 -5.05 105.19 110.27 2ff0 n GLY 77 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2ff0 n GLY 77 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ff0 s MET 78 N -0.02 4.14 -0.14 1.61 1.00 -0.32 -4.69 119.30 120.88 2ff0 s MET 78 Ca 0.00 1.32 -0.29 0.00 0.00 0.00 0.00 55.69 56.72 2ff0 s MET 78 Cb 0.00 -3.74 -0.02 0.00 0.00 0.00 0.00 34.83 31.07 2ff0 s MET 78 CO 0.00 -0.81 1.35 1.03 0.00 0.00 0.00 175.02 176.59 2ff0 s ARG 79 N 3.57 4.22 0.28 2.03 1.81 -0.84 -4.52 118.95 125.50 2ff0 s ARG 79 Ca 0.49 1.78 -0.03 0.00 -1.72 0.00 0.00 55.73 56.25 2ff0 s ARG 79 Cb -0.16 -3.82 0.38 0.00 -0.45 0.00 0.00 34.95 30.91 2ff0 s ARG 79 CO 0.14 -0.74 1.95 -0.07 -0.68 0.00 0.00 175.30 175.89 2ff0 h LEU 80 N 9.84 1.03 0.00 2.53 3.38 -1.93 -1.92 115.31 128.23 2ff0 h LEU 80 Ca -0.29 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2ff0 h LEU 80 Cb 1.12 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2ff0 h LEU 80 CO 0.97 0.73 0.00 -1.84 0.09 0.00 0.00 178.44 178.39 2ff0 n GLU 81 N -4.41 0.82 -0.10 1.13 0.28 -1.26 -2.31 120.64 114.79 2ff0 n GLU 81 Ca 0.11 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.23 2ff0 n GLU 81 Cb 0.04 -1.16 0.19 0.00 1.43 0.00 0.00 31.44 31.94 2ff0 n GLU 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ff0 n ALA 82 N -0.66 2.45 -2.86 -1.84 0.00 -0.72 -4.92 120.51 111.96 2ff0 n ALA 82 Ca 0.06 -0.82 -0.33 0.00 0.00 0.00 0.00 53.44 52.35 2ff0 n ALA 82 Cb 0.03 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 2ff0 n ALA 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ff0 s VAL 83 N -1.74 5.37 -0.30 0.00 0.11 -0.98 -4.91 120.40 117.96 2ff0 s VAL 83 Ca 0.34 -0.16 -0.03 0.00 -2.93 0.00 0.00 61.98 59.20 2ff0 s VAL 83 Cb 0.21 -3.58 0.04 0.00 -1.53 0.00 0.00 36.38 31.52 2ff0 s VAL 83 CO 0.31 0.24 0.01 -0.60 -3.33 0.00 0.00 175.10 171.73 2ff0 s ARG 84 N -2.18 2.57 0.27 1.54 6.06 -1.26 -4.95 118.95 121.00 2ff0 s ARG 84 Ca 0.31 -1.17 0.23 0.00 -2.50 0.00 0.00 55.73 52.60 2ff0 s ARG 84 Cb -0.13 -3.19 0.23 0.00 0.06 0.00 0.00 34.95 31.92 2ff0 s ARG 84 CO 0.22 -0.57 1.33 0.00 -2.50 0.00 0.00 175.30 173.78 2ff0 h ALA 85 N 8.05 0.71 -2.57 6.12 0.00 -1.93 -3.40 119.26 126.24 2ff0 h ALA 85 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2ff0 h ALA 85 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2ff0 h ALA 85 CO 0.55 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.55 2ff0 n ASP 86 N -2.68 0.00 0.00 0.00 9.92 -1.26 -4.97 116.55 117.55 2ff0 n ASP 86 Ca 0.02 0.57 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 2ff0 n ASP 86 Cb 0.52 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 2ff0 n ASP 86 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2ff0 n ARG 87 N -0.79 0.00 -1.66 -1.24 3.00 -1.26 -5.13 116.66 109.58 2ff0 n ARG 87 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 57.85 57.36 2ff0 n ARG 87 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 2ff0 n ARG 87 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2ff0 n MET 88 N 0.00 1.83 -0.12 -0.14 2.81 -1.26 -4.87 117.12 115.37 2ff0 n MET 88 Ca 0.00 0.66 0.12 0.00 -1.81 0.00 0.00 57.70 56.67 2ff0 n MET 88 Cb 0.00 -2.42 0.25 0.00 -0.71 0.00 0.00 33.22 30.35 2ff0 n MET 88 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2ff0 n ARG 89 N 4.34 2.23 -4.49 0.03 1.74 -1.26 -4.87 116.66 114.39 2ff0 n ARG 89 Ca 0.20 -1.85 -0.26 0.00 -0.77 0.00 0.00 57.85 55.17 2ff0 n ARG 89 Cb 0.25 -1.47 -0.17 0.00 -1.02 0.00 0.00 32.46 30.05 2ff0 n ARG 89 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ff0 s GLY 90 N -1.62 0.87 -0.26 -0.13 0.00 -1.26 -4.98 107.32 99.93 2ff0 s GLY 90 Ca 0.35 -0.51 0.05 0.00 0.00 0.00 0.00 44.72 44.60 2ff0 s GLY 90 CO 0.30 0.22 1.07 0.61 0.00 0.00 0.00 173.10 175.30 2ff0 n GLY 91 N 4.04 0.10 3.46 0.20 0.00 -1.26 -5.08 105.19 106.65 2ff0 n GLY 91 Ca -0.21 -0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.32 2ff0 n GLY 91 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ff0 s ARG 92 N 0.07 3.76 0.11 1.61 3.52 -1.26 -4.30 118.95 122.46 2ff0 s ARG 92 Ca 0.07 -1.98 0.00 0.00 -0.13 0.00 0.00 55.73 53.69 2ff0 s ARG 92 Cb 0.18 -5.01 0.00 0.00 -1.56 0.00 0.00 34.95 28.56 2ff0 s ARG 92 CO -0.05 -1.81 0.00 0.27 -0.81 0.00 0.00 175.30 172.90 2ff0 n ASN 93 N 6.46 -0.95 -0.15 -2.12 0.23 -1.26 -4.85 115.26 112.62 2ff0 n ASN 93 Ca 0.29 0.22 -0.04 0.00 -0.53 0.00 0.00 54.58 54.51 2ff0 n ASN 93 Cb 0.47 1.23 0.04 0.00 -2.08 0.00 0.00 39.78 39.44 2ff0 n ASN 93 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2ff0 h LYS 94 N 0.00 0.37 -0.37 -3.83 1.57 -2.04 -0.85 116.57 111.42 2ff0 h LYS 94 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2ff0 h LYS 94 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2ff0 h LYS 94 CO 0.00 0.25 0.00 1.19 -0.57 0.00 0.00 179.45 180.32 2ff0 n PHE 95 N -4.96 0.49 0.04 -1.35 3.01 -1.26 -4.45 117.46 108.97 2ff0 n PHE 95 Ca 0.04 -0.25 -0.11 0.00 1.01 0.00 0.00 57.45 58.14 2ff0 n PHE 95 Cb 0.15 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.58 2ff0 n PHE 95 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2ff0 h GLY 96 N 5.02 -0.34 0.24 1.37 0.00 -1.48 -0.95 103.07 106.94 2ff0 h GLY 96 Ca 0.00 0.30 0.11 0.00 0.00 0.00 0.00 47.33 47.74 2ff0 h GLY 96 CO 0.00 -0.21 0.14 -0.56 0.00 0.00 0.00 176.54 175.91 2ff0 h PRO 97 N -0.36 0.27 -0.14 4.80 0.13 -1.78 0.42 132.00 135.34 2ff0 h PRO 97 Ca 0.08 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 65.03 2ff0 h PRO 97 Cb 0.47 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 2ff0 h PRO 97 CO -0.26 0.18 -0.58 0.00 -0.23 0.00 0.00 178.00 177.11 2ff0 h MET 98 N 0.28 0.46 0.37 0.86 -0.00 -1.82 -1.84 114.93 113.23 2ff0 h MET 98 Ca 0.30 -0.30 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 2ff0 h MET 98 Cb 0.43 0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.08 2ff0 h MET 98 CO -0.37 0.91 -0.18 1.88 -0.00 0.00 0.00 176.91 179.14 2ff0 h TYR 99 N 0.34 -0.46 0.14 -0.10 0.05 -0.54 -1.84 116.97 114.56 2ff0 h TYR 99 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2ff0 h TYR 99 Cb 1.12 0.15 -0.01 0.00 1.01 0.00 0.00 36.73 39.00 2ff0 h TYR 99 CO 0.04 -0.20 -0.12 0.87 -1.05 0.00 0.00 178.16 177.70 2ff0 h LYS 100 N -0.67 -0.27 0.10 4.88 1.57 -0.91 -2.03 116.57 119.24 2ff0 h LYS 100 Ca -0.05 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2ff0 h LYS 100 Cb 0.48 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2ff0 h LYS 100 CO 0.08 -0.18 -0.05 -0.09 -0.57 0.00 0.00 179.45 178.64 2ff0 h ARG 101 N -0.28 -0.13 -0.41 3.15 2.43 -1.40 -1.65 114.38 116.09 2ff0 h ARG 101 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2ff0 h ARG 101 Cb 0.26 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2ff0 h ARG 101 CO -0.02 0.01 0.27 0.22 -1.51 0.00 0.00 179.97 178.94 2ff0 h ASP 102 N -0.24 0.48 -0.79 -3.80 3.58 -1.29 -0.94 116.42 113.41 2ff0 h ASP 102 Ca -0.01 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 2ff0 h ASP 102 Cb 0.20 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.09 2ff0 h ASP 102 CO 0.02 0.35 0.37 0.03 -2.88 0.00 0.00 179.24 177.12 2ff0 h ARG 103 N 0.56 1.15 -0.39 0.28 3.08 -1.34 -0.43 114.38 117.29 2ff0 h ARG 103 Ca 0.15 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2ff0 h ARG 103 Cb -0.06 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 2ff0 h ARG 103 CO -0.03 0.90 0.05 0.00 -1.07 0.00 0.00 179.97 179.81 2ff0 h ALA 104 N 1.19 1.36 -0.20 0.04 0.00 -0.59 0.36 119.26 121.42 2ff0 h ALA 104 Ca 0.27 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 2ff0 h ALA 104 Cb 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2ff0 h ALA 104 CO -0.03 0.45 -0.62 -0.07 0.00 0.00 0.00 179.25 178.98 2ff0 h LEU 105 N 0.57 0.78 -0.16 0.00 3.38 -0.75 -3.17 115.31 115.96 2ff0 h LEU 105 Ca 0.13 -0.45 -0.21 0.00 0.09 0.00 0.00 57.88 57.44 2ff0 h LEU 105 Cb 0.29 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.83 2ff0 h LEU 105 CO 0.00 1.21 -0.71 0.50 0.09 0.00 0.00 178.44 179.54 2ff0 h LYS 106 N 0.51 0.76 0.00 1.13 3.64 -0.34 -3.01 116.57 119.26 2ff0 h LYS 106 Ca -0.01 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 2ff0 h LYS 106 Cb 1.21 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2ff0 h LYS 106 CO 0.12 1.22 0.00 0.00 -2.27 0.00 0.00 179.45 178.52 2ff0 n GLN 107 N -4.00 0.70 0.04 1.90 10.64 0.12 -2.00 117.38 124.78 2ff0 n GLN 107 Ca -0.07 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.13 2ff0 n GLN 107 Cb 0.71 -1.39 0.41 0.00 -0.86 0.00 0.00 30.24 29.12 2ff0 n GLN 107 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 2ff0 h GLN 108 N 0.00 0.45 0.00 2.61 4.15 -1.50 -3.42 115.11 117.41 2ff0 h GLN 108 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2ff0 h GLN 108 Cb 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2ff0 h GLN 108 CO 0.00 0.37 0.00 1.63 -1.93 0.00 0.00 178.83 178.90 2ff0 n LYS 109 N -4.42 0.00 0.01 1.69 5.02 -0.85 -5.10 118.16 114.52 2ff0 n LYS 109 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2ff0 n LYS 109 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 2ff0 n LYS 109 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2ff0 n LYS 110 N -1.38 0.00 0.00 1.97 4.81 -0.94 -5.14 118.16 117.48 2ff0 n LYS 110 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2ff0 n LYS 110 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2ff0 n LYS 110 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57