#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 2.90 0.26 -0.67 2.02 -1.26 -5.02 118.70 116.93 2ff0 s GLU 11 Ca 0.00 -0.68 0.09 0.00 0.02 0.00 0.00 54.97 54.40 2ff0 s GLU 11 Cb 0.00 -2.74 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 2ff0 s GLU 11 CO 0.00 0.57 0.04 -0.51 0.02 0.00 0.00 175.26 175.38 2ff0 s LEU 12 N -2.38 3.32 0.20 1.80 1.02 -1.26 -0.68 118.68 120.71 2ff0 s LEU 12 Ca 0.29 -0.56 -0.31 0.00 0.02 0.00 0.00 54.13 53.57 2ff0 s LEU 12 Cb -0.12 -1.85 -0.11 0.00 0.02 0.00 0.00 46.19 44.13 2ff0 s LEU 12 CO 0.22 -0.00 1.59 0.00 0.02 0.00 0.00 176.35 178.18 2ff0 n PRO 14 N 3.51 0.27 0.00 0.00 -0.04 -1.26 -2.76 135.00 134.73 2ff0 n PRO 14 Ca 0.13 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2ff0 n PRO 14 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2ff0 n PRO 14 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2ff0 n VAL 15 N -1.23 0.00 -0.06 0.52 3.14 -1.26 -4.91 118.33 114.53 2ff0 n VAL 15 Ca 0.08 0.23 -0.09 0.00 -2.96 0.00 0.00 64.34 61.60 2ff0 n VAL 15 Cb 0.11 -1.18 -0.08 0.00 -1.06 0.00 0.00 33.84 31.62 2ff0 n VAL 15 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ff0 n GLY 17 N 1.67 0.46 3.81 0.00 0.00 -1.11 -4.56 105.19 105.46 2ff0 n GLY 17 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.14 5.86 0.29 1.61 1.01 -1.26 -4.41 116.67 119.63 2ff0 s ASP 18 Ca 0.00 1.77 -0.29 0.00 0.71 0.00 0.00 52.55 54.73 2ff0 s ASP 18 Cb 0.00 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.30 2ff0 s ASP 18 CO 0.00 -1.12 1.46 -0.54 0.21 0.00 0.00 175.17 175.18 2ff0 s LYS 19 N -4.16 4.23 0.46 8.23 3.01 -1.26 0.56 119.74 130.81 2ff0 s LYS 19 Ca 0.63 2.39 -0.22 0.00 -1.01 0.00 0.00 55.97 57.76 2ff0 s LYS 19 Cb -0.15 -3.06 -0.08 0.00 -1.01 0.00 0.00 37.83 33.53 2ff0 s LYS 19 CO 0.38 -0.44 1.09 0.14 0.51 0.00 0.00 175.35 177.02 2ff0 s VAL 20 N -0.40 3.50 -1.73 3.17 -7.23 0.15 -4.35 120.40 113.52 2ff0 s VAL 20 Ca 0.57 1.04 0.14 0.00 -1.81 0.00 0.00 61.98 61.92 2ff0 s VAL 20 Cb -0.43 -3.48 0.10 0.00 0.56 0.00 0.00 36.38 33.13 2ff0 s VAL 20 CO 0.49 -0.10 0.93 -0.24 -0.31 0.00 0.00 175.10 175.88 2ff0 n SER 21 N -0.65 2.13 0.00 4.85 2.88 0.49 -4.80 113.62 118.51 2ff0 n SER 21 Ca 0.08 -1.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.06 2ff0 n SER 21 Cb 0.50 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2ff0 n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ff0 n GLY 22 N 0.80 0.84 3.60 0.46 0.00 -1.17 -4.99 105.19 104.75 2ff0 n GLY 22 Ca 0.08 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 2ff0 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ff0 s TYR 23 N -1.88 2.92 -0.14 1.61 1.51 -1.26 -0.79 117.35 119.32 2ff0 s TYR 23 Ca 0.00 0.78 -0.02 0.00 -1.01 0.00 0.00 57.07 56.83 2ff0 s TYR 23 Cb 0.00 -4.16 0.04 0.00 -0.11 0.00 0.00 41.96 37.73 2ff0 s TYR 23 CO 0.00 -1.11 -0.01 -1.01 -1.11 0.00 0.00 175.55 172.32 2ff0 s HIS 24 N 4.12 1.09 0.00 2.71 3.76 -0.10 -4.86 115.29 122.01 2ff0 s HIS 24 Ca 0.45 -0.66 0.00 0.00 -0.15 0.00 0.00 55.06 54.71 2ff0 s HIS 24 Cb -0.09 -1.03 0.00 0.00 1.11 0.00 0.00 32.58 32.57 2ff0 s HIS 24 CO 0.27 -0.50 0.00 0.66 -0.85 0.00 0.00 174.74 174.31 2ff0 n TYR 25 N 5.03 0.00 0.00 1.40 4.01 -1.26 -3.63 117.16 122.72 2ff0 n TYR 25 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2ff0 n TYR 25 Cb 0.48 -0.67 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 2ff0 n TYR 25 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ff0 n GLY 26 N -1.91 -0.77 0.00 2.72 0.00 -1.26 0.34 105.19 104.31 2ff0 n GLY 26 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2ff0 n GLY 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ff0 n LEU 27 N 0.00 0.00 -4.59 0.99 -0.00 -1.24 -4.86 117.00 107.31 2ff0 n LEU 27 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 56.01 55.56 2ff0 n LEU 27 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 2ff0 n LEU 27 CO 0.00 0.00 1.79 0.18 -0.00 0.00 0.00 177.39 179.36 2ff0 n LEU 28 N 0.00 3.20 -4.14 1.47 4.77 -1.25 -0.93 117.00 120.13 2ff0 n LEU 28 Ca 0.00 0.38 -0.09 0.00 -0.03 0.00 0.00 56.01 56.27 2ff0 n LEU 28 Cb 0.00 -1.49 -0.10 0.00 -2.33 0.00 0.00 43.42 39.50 2ff0 n LEU 28 CO 0.00 -0.54 -0.35 0.42 -1.33 0.00 0.00 177.39 175.59 2ff0 s THR 29 N 7.36 0.35 0.64 -5.08 -4.23 0.03 -4.65 115.64 110.06 2ff0 s THR 29 Ca 1.00 -1.88 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 2ff0 s THR 29 Cb -0.46 -1.73 0.06 0.00 1.34 0.00 0.00 72.50 71.71 2ff0 s THR 29 CO 0.40 -0.81 0.90 0.00 -0.54 0.00 0.00 174.62 174.57 2ff0 h GLU 31 N -0.29 0.00 -0.21 0.00 4.39 -1.95 -0.93 114.58 115.59 2ff0 h GLU 31 Ca -0.42 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.20 2ff0 h GLU 31 Cb 1.30 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2ff0 h GLU 31 CO 0.52 0.00 -0.19 1.03 -1.16 0.00 0.00 179.01 179.22 2ff0 h SER 32 N 0.00 0.53 0.15 1.42 0.87 -1.95 0.39 113.55 114.96 2ff0 h SER 32 Ca 0.00 -0.46 -0.01 0.00 -1.23 0.00 0.00 61.79 60.09 2ff0 h SER 32 Cb 0.50 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2ff0 h SER 32 CO 0.00 0.89 -0.07 0.00 -0.53 0.00 0.00 176.83 177.11 2ff0 h LYS 34 N -0.27 0.48 -0.11 0.00 3.64 -1.18 0.22 116.57 119.36 2ff0 h LYS 34 Ca -0.02 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2ff0 h LYS 34 Cb 0.21 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2ff0 h LYS 34 CO 0.03 0.32 0.05 0.78 -2.27 0.00 0.00 179.45 178.35 2ff0 h GLY 35 N 0.49 0.17 1.34 5.01 0.00 -0.18 -2.01 103.07 107.89 2ff0 h GLY 35 Ca 0.16 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 2ff0 h GLY 35 CO -0.07 0.08 0.09 -2.75 0.00 0.00 0.00 176.54 173.89 2ff0 h PHE 36 N 0.03 0.86 -0.42 5.60 3.57 -0.97 -1.72 116.94 123.88 2ff0 h PHE 36 Ca 0.04 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2ff0 h PHE 36 Cb 0.15 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2ff0 h PHE 36 CO -0.02 0.74 0.20 0.35 -2.23 0.00 0.00 178.31 177.35 2ff0 h PHE 37 N 0.79 0.61 -0.42 0.41 3.57 -0.38 0.04 116.94 121.56 2ff0 h PHE 37 Ca 0.17 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2ff0 h PHE 37 Cb 0.34 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2ff0 h PHE 37 CO 0.02 0.50 0.20 0.87 -2.23 0.00 0.00 178.31 177.67 2ff0 h LYS 38 N 0.54 0.60 -0.44 1.11 1.57 -1.14 0.25 116.57 119.06 2ff0 h LYS 38 Ca 0.15 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2ff0 h LYS 38 Cb 0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2ff0 h LYS 38 CO -0.02 0.52 0.29 0.00 -0.57 0.00 0.00 179.45 179.68 2ff0 h ARG 39 N 0.53 0.52 0.05 3.15 3.08 -0.83 0.18 114.38 121.06 2ff0 h ARG 39 Ca 0.14 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 2ff0 h ARG 39 Cb 0.12 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2ff0 h ARG 39 CO -0.02 0.34 -0.03 1.15 -1.07 0.00 0.00 179.97 180.35 2ff0 h THR 40 N 0.54 0.40 -0.18 2.04 2.02 -0.67 -3.22 112.91 113.84 2ff0 h THR 40 Ca 0.17 -1.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 2ff0 h THR 40 Cb 0.03 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2ff0 h THR 40 CO -0.04 0.13 -0.05 0.58 0.37 0.00 0.00 175.52 176.51 2ff0 h VAL 41 N -1.00 1.29 -0.11 3.16 2.07 -0.84 0.26 116.25 121.08 2ff0 h VAL 41 Ca -0.01 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.40 2ff0 h VAL 41 Cb 0.27 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2ff0 h VAL 41 CO 0.01 0.31 -0.32 1.56 0.02 0.00 0.00 177.57 179.15 2ff0 h GLN 42 N 0.05 0.21 -0.04 1.57 4.20 -0.84 -1.33 115.11 118.93 2ff0 h GLN 42 Ca 0.04 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2ff0 h GLN 42 Cb 0.49 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2ff0 h GLN 42 CO 0.02 0.52 0.00 0.09 -0.67 0.00 0.00 178.83 178.78 2ff0 n ASN 43 N -4.11 1.83 -3.79 1.46 3.02 -1.19 -4.94 115.26 107.54 2ff0 n ASN 43 Ca -0.01 -1.62 -0.25 0.00 -0.03 0.00 0.00 54.58 52.67 2ff0 n ASN 43 Cb 0.41 -0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.59 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 -3.04 -4.83 6.41 3.02 -0.29 -4.94 115.26 112.02 2ff0 n ASN 44 Ca 0.18 -0.79 -0.32 0.00 -0.03 0.00 0.00 54.58 53.62 2ff0 n ASN 44 Cb 0.40 -4.04 -0.00 0.00 -0.61 0.00 0.00 39.78 35.53 2ff0 n ASN 44 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ff0 s LYS 45 N -6.28 3.58 0.03 3.52 1.02 0.77 -5.02 119.74 117.37 2ff0 s LYS 45 Ca 0.32 1.01 0.03 0.00 0.02 0.00 0.00 55.97 57.35 2ff0 s LYS 45 Cb -0.16 -2.08 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 2ff0 s LYS 45 CO 0.82 -0.58 -0.08 -3.38 -0.92 0.00 0.00 175.35 171.20 2ff0 s HIS 46 N -2.70 0.74 0.26 3.18 -3.43 -1.26 -4.87 115.29 107.21 2ff0 s HIS 46 Ca 0.60 -0.36 0.02 0.00 -0.80 0.00 0.00 55.06 54.53 2ff0 s HIS 46 Cb -0.12 -0.45 -0.05 0.00 -1.43 0.00 0.00 32.58 30.53 2ff0 s HIS 46 CO 0.39 -0.04 0.05 0.71 -2.00 0.00 0.00 174.74 173.85 2ff0 s TYR 47 N -0.93 1.61 -0.23 0.38 2.02 -1.26 -5.08 117.35 113.86 2ff0 s TYR 47 Ca -0.04 -1.04 -0.09 0.00 -0.37 0.00 0.00 57.07 55.52 2ff0 s TYR 47 Cb -0.07 -0.96 0.09 0.00 -0.40 0.00 0.00 41.96 40.62 2ff0 s TYR 47 CO 0.00 -0.17 0.51 0.99 -1.57 0.00 0.00 175.55 175.31 2ff0 s THR 48 N -3.55 -0.56 -0.12 -0.71 2.01 -1.26 -4.95 115.64 106.51 2ff0 s THR 48 Ca 0.34 0.09 -0.09 0.00 0.31 0.00 0.00 61.69 62.34 2ff0 s THR 48 Cb 0.07 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 2ff0 s THR 48 CO 0.12 0.04 0.18 0.00 -0.69 0.00 0.00 174.62 174.26 2ff0 n THR 50 N 2.23 0.11 0.00 0.00 -1.04 -1.26 -4.29 114.28 110.03 2ff0 n THR 50 Ca -0.18 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 2ff0 n THR 50 Cb 0.54 0.34 0.00 0.00 -1.82 0.00 0.00 70.33 69.39 2ff0 n THR 50 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2ff0 n GLU 51 N -1.85 0.00 -0.34 -2.82 -0.58 -1.26 -4.88 120.64 108.92 2ff0 n GLU 51 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2ff0 n GLU 51 Cb 0.41 -0.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.84 2ff0 n GLU 51 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2ff0 n SER 52 N -0.42 0.00 0.00 1.62 2.88 -1.26 -5.00 113.62 111.44 2ff0 n SER 52 Ca 0.00 -1.57 0.00 0.00 -1.33 0.00 0.00 58.87 55.97 2ff0 n SER 52 Cb 0.00 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2ff0 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ff0 n GLN 53 N 0.00 0.00 -3.70 -1.46 6.02 -1.26 -4.70 117.38 112.28 2ff0 n GLN 53 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 2ff0 n GLN 53 Cb 0.61 -0.69 -0.13 0.00 1.02 0.00 0.00 30.24 31.06 2ff0 n GLN 53 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2ff0 s SER 54 N 0.00 3.60 0.68 1.08 0.01 -1.26 -3.59 113.70 114.22 2ff0 s SER 54 Ca 0.00 -2.69 -0.02 0.00 1.31 0.00 0.00 55.95 54.54 2ff0 s SER 54 Cb 0.00 -1.03 0.09 0.00 0.21 0.00 0.00 66.02 65.29 2ff0 s SER 54 CO 0.00 -0.25 0.60 0.00 0.41 0.00 0.00 173.24 173.99 2ff0 s LYS 56 N -4.06 4.07 -0.23 0.00 1.02 -1.26 -4.97 119.74 114.31 2ff0 s LYS 56 Ca 0.38 2.33 -0.07 0.00 0.02 0.00 0.00 55.97 58.62 2ff0 s LYS 56 Cb -0.02 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 2ff0 s LYS 56 CO 0.25 -0.47 0.06 0.42 -0.92 0.00 0.00 175.35 174.70 2ff0 s ILE 57 N -1.18 4.36 0.37 2.17 -1.09 -1.26 -4.72 121.20 119.84 2ff0 s ILE 57 Ca 0.54 -0.16 -0.05 0.00 -2.23 0.00 0.00 60.65 58.75 2ff0 s ILE 57 Cb -0.42 -3.02 0.02 0.00 -1.58 0.00 0.00 42.46 37.46 2ff0 s ILE 57 CO 0.55 0.37 0.56 -0.62 -1.23 0.00 0.00 174.94 174.57 2ff0 s ASP 58 N 1.33 0.81 0.24 3.58 2.15 -1.26 -4.94 116.67 118.58 2ff0 s ASP 58 Ca 0.05 -1.46 -0.06 0.00 0.43 0.00 0.00 52.55 51.51 2ff0 s ASP 58 Cb -0.15 0.72 0.30 0.00 -0.30 0.00 0.00 42.92 43.50 2ff0 s ASP 58 CO 0.03 -1.42 1.88 0.11 -0.17 0.00 0.00 175.17 175.60 2ff0 h LYS 59 N 2.06 1.06 0.10 4.34 1.57 -1.97 -0.12 116.57 123.60 2ff0 h LYS 59 Ca -0.29 -0.06 -0.33 0.00 -1.87 0.00 0.00 60.65 58.09 2ff0 h LYS 59 Cb 1.24 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 2ff0 h LYS 59 CO 0.39 0.70 -1.80 0.00 -0.57 0.00 0.00 179.45 178.17 2ff0 h THR 60 N 1.09 0.82 -0.09 -0.16 1.03 -1.99 -3.38 112.91 110.23 2ff0 h THR 60 Ca 0.37 -2.54 -0.05 0.00 -0.01 0.00 0.00 66.41 64.17 2ff0 h THR 60 Cb 0.05 2.56 -0.01 0.00 -1.07 0.00 0.00 68.15 69.68 2ff0 h THR 60 CO -0.13 0.78 -0.16 1.56 -0.01 0.00 0.00 175.52 177.55 2ff0 h GLN 61 N 0.06 0.15 0.00 0.00 1.08 -1.79 -1.33 115.11 113.27 2ff0 h GLN 61 Ca -0.34 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 2ff0 h GLN 61 Cb 2.03 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 29.44 2ff0 h GLN 61 CO 0.11 0.31 0.00 2.89 -0.95 0.00 0.00 178.83 181.19 2ff0 n ARG 62 N -4.28 0.19 -0.08 1.46 1.85 -0.08 -0.16 116.66 115.57 2ff0 n ARG 62 Ca -0.01 0.46 -0.21 0.00 -1.00 0.00 0.00 57.85 57.09 2ff0 n ARG 62 Cb 0.27 -1.90 -0.12 0.00 -1.05 0.00 0.00 32.46 29.66 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 -2.27 0.68 -0.16 2.89 5.02 -0.58 -4.17 118.16 119.57 2ff0 n LYS 63 Ca 0.02 0.23 -0.10 0.00 -2.02 0.00 0.00 58.31 56.44 2ff0 n LYS 63 Cb 0.21 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 2ff0 n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ff0 h ARG 64 N -0.14 0.81 -3.10 1.97 3.08 -0.89 -3.34 114.38 112.76 2ff0 h ARG 64 Ca -0.52 -0.24 -0.62 0.00 0.07 0.00 0.00 59.98 58.67 2ff0 h ARG 64 Cb 1.88 -0.08 -0.42 0.00 0.08 0.00 0.00 29.97 31.43 2ff0 h ARG 64 CO -0.07 0.84 -0.58 0.00 -1.07 0.00 0.00 179.97 179.09 2ff0 h PRO 66 N 5.50 0.00 0.03 0.00 0.13 -1.72 -2.05 132.00 133.88 2ff0 h PRO 66 Ca 0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2ff0 h PRO 66 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2ff0 h PRO 66 CO 0.71 0.22 -0.01 0.35 -0.23 0.00 0.00 178.00 179.03 2ff0 h PHE 67 N 0.00 -0.04 -0.84 1.56 3.57 -1.91 0.15 116.94 119.43 2ff0 h PHE 67 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2ff0 h PHE 67 Cb 0.49 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 2ff0 h PHE 67 CO 0.00 0.23 0.51 0.00 -2.23 0.00 0.00 178.31 176.82 2ff0 h ARG 69 N 1.15 -0.34 -0.41 0.00 2.43 -1.27 -1.69 114.38 114.25 2ff0 h ARG 69 Ca 0.30 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 2ff0 h ARG 69 Cb -0.05 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2ff0 h ARG 69 CO -0.06 -0.19 0.27 0.35 -1.51 0.00 0.00 179.97 178.83 2ff0 h PHE 70 N -0.39 0.52 -0.71 2.20 3.57 -0.37 -1.23 116.94 120.53 2ff0 h PHE 70 Ca -0.04 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.54 2ff0 h PHE 70 Cb 0.30 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 2ff0 h PHE 70 CO -0.05 0.33 0.41 1.96 -2.23 0.00 0.00 178.31 178.73 2ff0 h GLN 71 N 0.56 0.72 0.00 1.11 1.08 -0.57 -1.26 115.11 116.75 2ff0 h GLN 71 Ca 0.15 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.21 2ff0 h GLN 71 Cb -0.06 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.19 2ff0 h GLN 71 CO -0.03 0.48 -0.45 -0.22 -0.95 0.00 0.00 178.83 177.65 2ff0 h LYS 72 N 0.74 0.00 -0.06 1.46 3.64 -0.91 0.19 116.57 121.63 2ff0 h LYS 72 Ca 0.32 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.72 2ff0 h LYS 72 Cb 0.19 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2ff0 h LYS 72 CO -0.18 0.45 -0.09 0.00 -2.27 0.00 0.00 179.45 177.36 2ff0 h LEU 74 N -0.12 0.17 -0.22 0.00 4.07 -1.09 -0.71 115.31 117.40 2ff0 h LEU 74 Ca 0.06 -0.05 0.01 0.00 0.08 0.00 0.00 57.88 57.98 2ff0 h LEU 74 Cb 0.20 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 2ff0 h LEU 74 CO -0.14 0.47 0.10 0.74 -1.08 0.00 0.00 178.44 178.53 2ff0 h THR 75 N 0.15 0.99 0.00 0.22 2.02 0.42 -2.79 112.91 113.92 2ff0 h THR 75 Ca 0.02 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 2ff0 h THR 75 Cb 0.61 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 2ff0 h THR 75 CO 0.04 0.04 -0.24 -0.37 0.37 0.00 0.00 175.52 175.37 2ff0 h VAL 76 N 0.22 0.55 0.00 3.16 -1.51 -0.46 -3.46 116.25 114.74 2ff0 h VAL 76 Ca 0.09 -1.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.36 2ff0 h VAL 76 Cb 0.03 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 2ff0 h VAL 76 CO -0.07 0.23 0.00 0.61 -1.23 0.00 0.00 177.57 177.11 2ff0 n GLY 77 N 0.28 -0.37 3.74 5.19 0.00 -1.05 -4.93 105.19 108.04 2ff0 n GLY 77 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 4.60 0.11 1.61 1.00 -0.29 -4.34 119.30 122.00 2ff0 s MET 78 Ca 0.00 1.71 0.10 0.00 0.00 0.00 0.00 55.69 57.50 2ff0 s MET 78 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 34.83 31.51 2ff0 s MET 78 CO 0.00 0.09 -0.22 1.03 0.00 0.00 0.00 175.02 175.91 2ff0 s ARG 79 N -0.39 1.64 0.20 2.03 1.81 0.15 -4.01 118.95 120.39 2ff0 s ARG 79 Ca 0.49 -1.23 0.07 0.00 -1.72 0.00 0.00 55.73 53.34 2ff0 s ARG 79 Cb -0.29 -2.02 0.09 0.00 -0.45 0.00 0.00 34.95 32.28 2ff0 s ARG 79 CO 0.35 0.47 1.45 -0.07 -0.68 0.00 0.00 175.30 176.83 2ff0 h LEU 80 N 3.91 0.06 -2.23 2.53 3.38 -1.96 -3.09 115.31 117.91 2ff0 h LEU 80 Ca -0.50 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.47 2ff0 h LEU 80 Cb 1.17 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2ff0 h LEU 80 CO 0.43 0.83 0.20 -0.33 0.09 0.00 0.00 178.44 179.66 2ff0 h GLU 81 N 0.03 0.00 0.00 1.13 5.08 -1.95 -0.05 114.58 118.81 2ff0 h GLU 81 Ca -0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2ff0 h GLU 81 Cb 1.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 2ff0 h GLU 81 CO 0.11 0.00 -0.34 0.00 -1.00 0.00 0.00 179.01 177.77 2ff0 h ALA 82 N 1.77 1.03 -1.61 3.43 0.00 -1.86 -3.41 119.26 118.61 2ff0 h ALA 82 Ca 0.09 -0.31 -0.55 0.00 0.00 0.00 0.00 54.91 54.13 2ff0 h ALA 82 Cb 0.48 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 2ff0 h ALA 82 CO -0.00 0.43 1.01 0.08 0.00 0.00 0.00 179.25 180.77 2ff0 s VAL 83 N -3.67 3.97 -1.18 0.00 1.01 -0.03 -4.55 120.40 115.95 2ff0 s VAL 83 Ca -0.00 0.89 -0.16 0.00 0.00 0.00 0.00 61.98 62.70 2ff0 s VAL 83 Cb 0.11 -4.62 0.13 0.00 0.00 0.00 0.00 36.38 32.00 2ff0 s VAL 83 CO 0.68 -1.23 1.48 -0.13 0.00 0.00 0.00 175.10 175.89 2ff0 s ARG 84 N 5.03 3.96 0.00 2.72 0.52 -1.26 -4.84 118.95 125.08 2ff0 s ARG 84 Ca 0.47 -2.20 0.08 0.00 -0.52 0.00 0.00 55.73 53.56 2ff0 s ARG 84 Cb -0.09 -5.20 0.42 0.00 0.52 0.00 0.00 34.95 30.61 2ff0 s ARG 84 CO 0.26 -1.94 1.10 0.00 0.02 0.00 0.00 175.30 174.75 2ff0 n ALA 85 N 6.77 1.58 -1.00 2.13 0.00 -1.26 -3.58 120.51 125.15 2ff0 n ALA 85 Ca 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2ff0 n ALA 85 Cb 0.45 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2ff0 n ALA 85 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ff0 n ASP 86 N -1.25 0.00 -0.78 0.00 -0.08 -1.26 -4.92 116.55 108.26 2ff0 n ASP 86 Ca 0.04 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.28 2ff0 n ASP 86 Cb 0.06 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.48 2ff0 n ASP 86 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2ff0 n ARG 87 N -0.01 0.00 -3.05 -0.67 3.00 -1.24 -5.11 116.66 109.58 2ff0 n ARG 87 Ca 0.00 -0.60 -0.42 0.00 -0.00 0.00 0.00 57.85 56.83 2ff0 n ARG 87 Cb 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 32.46 32.76 2ff0 n ARG 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2ff0 s MET 88 N 0.00 3.72 -0.33 -0.14 -1.94 -1.24 -4.93 119.30 114.44 2ff0 s MET 88 Ca 0.00 0.17 0.00 0.00 -1.71 0.00 0.00 55.69 54.15 2ff0 s MET 88 Cb 0.00 -3.81 0.29 0.00 2.01 0.00 0.00 34.83 33.33 2ff0 s MET 88 CO 0.00 -0.77 1.85 0.54 -0.01 0.00 0.00 175.02 176.63 2ff0 n ARG 89 N 6.18 1.86 -3.15 2.03 1.74 -1.26 -4.60 116.66 119.46 2ff0 n ARG 89 Ca 0.00 -1.79 0.04 0.00 -0.77 0.00 0.00 57.85 55.34 2ff0 n ARG 89 Cb 0.48 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 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 -0.19 -1.04 -0.56 -0.13 0.00 -1.26 -5.04 107.32 99.11 2ff0 s GLY 90 Ca 0.35 1.64 -0.01 0.00 0.00 0.00 0.00 44.72 46.70 2ff0 s GLY 90 CO 0.02 3.62 2.02 0.61 0.00 0.00 0.00 173.10 179.37 2ff0 n GLY 91 N 5.40 5.30 3.96 0.20 0.00 -1.26 -4.97 105.19 113.82 2ff0 n GLY 91 Ca 0.02 -1.90 -0.27 0.00 0.00 0.00 0.00 46.02 43.87 2ff0 n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ff0 s ARG 92 N -3.25 1.13 0.00 1.61 0.52 -1.26 -4.34 118.95 113.36 2ff0 s ARG 92 Ca 0.55 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 2ff0 s ARG 92 Cb 0.44 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.82 2ff0 s ARG 92 CO -0.00 -1.95 0.00 -1.71 0.02 0.00 0.00 175.30 171.66 2ff0 n ASN 93 N -3.31 0.00 -0.08 0.23 5.15 -1.26 -4.49 115.26 111.49 2ff0 n ASN 93 Ca 0.15 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 54.07 2ff0 n ASN 93 Cb 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 2ff0 n ASN 93 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 2ff0 h LYS 94 N 0.00 0.11 -0.08 1.20 1.63 -1.98 -2.77 116.57 114.67 2ff0 h LYS 94 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2ff0 h LYS 94 Cb 0.00 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 2ff0 h LYS 94 CO 0.00 0.07 0.00 1.19 -3.45 0.00 0.00 179.45 177.26 2ff0 n PHE 95 N -5.15 0.16 -0.16 1.91 3.72 -1.26 -4.80 117.46 111.89 2ff0 n PHE 95 Ca 0.00 -0.68 -0.02 0.00 -0.05 0.00 0.00 57.45 56.70 2ff0 n PHE 95 Cb 0.15 -0.10 0.06 0.00 -0.94 0.00 0.00 39.48 38.66 2ff0 n PHE 95 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2ff0 h GLY 96 N 0.48 0.57 0.17 1.37 0.00 -1.76 -2.55 103.07 101.35 2ff0 h GLY 96 Ca 0.00 0.01 0.15 0.00 0.00 0.00 0.00 47.33 47.49 2ff0 h GLY 96 CO 0.02 -0.10 0.37 -2.55 0.00 0.00 0.00 176.54 174.28 2ff0 h PRO 97 N 0.19 0.51 -0.00 4.80 0.11 -1.87 -1.39 132.00 134.34 2ff0 h PRO 97 Ca 0.25 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.18 2ff0 h PRO 97 Cb 0.35 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 2ff0 h PRO 97 CO -0.36 0.33 -0.70 0.00 -0.21 0.00 0.00 178.00 177.07 2ff0 h MET 98 N 0.52 0.01 -0.12 1.05 -0.00 -1.85 -1.19 114.93 113.36 2ff0 h MET 98 Ca 0.44 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.70 60.10 2ff0 h MET 98 Cb 0.66 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.26 2ff0 h MET 98 CO -0.39 0.70 -0.03 1.88 -0.00 0.00 0.00 176.91 179.07 2ff0 h TYR 99 N 0.01 0.26 -0.04 -0.10 0.05 -1.01 -1.43 116.97 114.71 2ff0 h TYR 99 Ca -0.01 -0.06 -0.13 0.00 0.05 0.00 0.00 58.73 58.59 2ff0 h TYR 99 Cb 1.23 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.89 2ff0 h TYR 99 CO 0.00 0.53 -0.56 1.57 -1.05 0.00 0.00 178.16 178.65 2ff0 h LYS 100 N -0.10 0.13 -0.21 4.88 2.10 -1.27 -1.71 116.57 120.39 2ff0 h LYS 100 Ca 0.03 -0.08 -0.05 0.00 -2.00 0.00 0.00 60.65 58.55 2ff0 h LYS 100 Cb 0.45 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 2ff0 h LYS 100 CO 0.01 0.66 -0.06 -0.09 -2.00 0.00 0.00 179.45 177.97 2ff0 h ARG 101 N 0.10 0.41 -0.65 0.07 2.43 -1.15 -0.39 114.38 115.19 2ff0 h ARG 101 Ca -0.00 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 58.95 2ff0 h ARG 101 Cb 1.03 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 2ff0 h ARG 101 CO 0.08 0.66 0.17 0.22 -1.51 0.00 0.00 179.97 179.59 2ff0 h ASP 102 N 0.13 0.96 -0.62 -3.80 3.58 -1.19 -0.06 116.42 115.42 2ff0 h ASP 102 Ca 0.05 -0.19 0.03 0.00 0.42 0.00 0.00 57.03 57.34 2ff0 h ASP 102 Cb 0.51 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 2ff0 h ASP 102 CO 0.02 0.92 0.38 -0.09 -2.88 0.00 0.00 179.24 177.59 2ff0 h ARG 103 N 0.98 0.73 0.00 0.28 9.65 -1.16 0.10 114.38 124.95 2ff0 h ARG 103 Ca 0.21 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 59.00 2ff0 h ARG 103 Cb 0.33 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 2ff0 h ARG 103 CO -0.00 0.48 -0.20 0.00 2.80 0.00 0.00 179.97 183.05 2ff0 h ALA 104 N 1.27 1.12 0.05 2.80 0.00 -0.32 -0.30 119.26 123.88 2ff0 h ALA 104 Ca 0.25 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2ff0 h ALA 104 Cb 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2ff0 h ALA 104 CO -0.10 0.25 -0.54 -0.07 0.00 0.00 0.00 179.25 178.78 2ff0 h LEU 105 N 0.00 0.39 -0.15 0.00 3.38 -0.07 -0.62 115.31 118.23 2ff0 h LEU 105 Ca -0.00 -0.86 -0.04 0.00 0.09 0.00 0.00 57.88 57.07 2ff0 h LEU 105 Cb 0.60 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2ff0 h LEU 105 CO 0.03 1.20 -0.06 0.11 0.09 0.00 0.00 178.44 179.81 2ff0 h LYS 106 N -0.38 0.31 -0.00 1.13 1.57 -0.64 -3.29 116.57 115.27 2ff0 h LYS 106 Ca -0.08 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 2ff0 h LYS 106 Cb 1.33 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2ff0 h LYS 106 CO 0.10 0.62 -0.12 1.96 -0.57 0.00 0.00 179.45 181.44 2ff0 h GLN 107 N -0.01 0.09 0.00 3.15 4.20 -1.21 -3.46 115.11 117.87 2ff0 h GLN 107 Ca 0.04 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2ff0 h GLN 107 Cb 0.51 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2ff0 h GLN 107 CO 0.02 0.85 0.00 0.94 -0.67 0.00 0.00 178.83 179.97 2ff0 n GLN 108 N -4.61 0.00 -3.52 1.46 7.27 -0.24 -4.33 117.38 113.41 2ff0 n GLN 108 Ca -0.10 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.56 2ff0 n GLN 108 Cb 0.44 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.02 2ff0 n GLN 108 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2ff0 s LYS 109 N 0.00 2.82 0.03 3.69 2.20 -1.26 -4.87 119.74 122.35 2ff0 s LYS 109 Ca 0.00 -2.12 0.24 0.00 -0.36 0.00 0.00 55.97 53.73 2ff0 s LYS 109 Cb 0.00 -4.04 0.36 0.00 -1.51 0.00 0.00 37.83 32.65 2ff0 s LYS 109 CO 0.00 -1.23 1.31 0.36 -0.36 0.00 0.00 175.35 175.43 2ff0 n LYS 110 N 4.35 0.10 0.00 4.03 0.00 -1.26 -5.23 118.16 120.15 2ff0 n LYS 110 Ca 0.01 0.02 0.07 0.00 -0.00 0.00 0.00 58.31 58.40 2ff0 n LYS 110 Cb 0.42 -1.55 0.06 0.00 -0.00 0.00 0.00 35.03 33.95 2ff0 n LYS 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40