#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ff0 n GLU 11 N 0.00 0.91 -3.76 -1.24 -0.58 -1.26 -4.98 120.64 109.72 2ff0 n GLU 11 Ca 0.00 -2.68 -0.34 0.00 -0.42 0.00 0.00 57.16 53.72 2ff0 n GLU 11 Cb 0.00 1.03 -0.05 0.00 -0.57 0.00 0.00 31.44 31.84 2ff0 n GLU 11 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ff0 s LEU 12 N 0.00 4.37 -0.18 -4.62 1.43 -1.26 -0.92 118.68 117.50 2ff0 s LEU 12 Ca 0.07 0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 53.42 2ff0 s LEU 12 Cb 0.00 -2.71 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 2ff0 s LEU 12 CO 0.05 0.24 1.21 0.00 0.23 0.00 0.00 176.35 178.08 2ff0 n PRO 14 N 6.51 0.03 -0.07 0.00 -0.04 -1.26 0.48 135.00 140.65 2ff0 n PRO 14 Ca 0.13 0.33 -0.17 0.00 -0.04 0.00 0.00 63.50 63.76 2ff0 n PRO 14 Cb 0.45 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.28 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 1.52 0.00 0.52 2.07 -1.90 -3.44 116.25 115.02 2ff0 h VAL 15 Ca 0.00 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.21 2ff0 h VAL 15 Cb 0.10 3.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2ff0 h VAL 15 CO 0.00 0.53 -0.18 0.00 0.02 0.00 0.00 177.57 177.94 2ff0 n GLY 17 N 0.66 0.74 3.79 0.00 0.00 0.18 -3.49 105.19 107.08 2ff0 n GLY 17 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2ff0 n GLY 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ff0 s ASP 18 N -2.95 4.87 -0.08 1.61 2.15 -1.26 -4.35 116.67 116.66 2ff0 s ASP 18 Ca 0.00 1.64 -0.30 0.00 0.43 0.00 0.00 52.55 54.32 2ff0 s ASP 18 Cb 0.00 -2.43 -0.03 0.00 -0.30 0.00 0.00 42.92 40.16 2ff0 s ASP 18 CO 0.00 -1.78 1.24 -0.54 -0.17 0.00 0.00 175.17 173.92 2ff0 s LYS 19 N -5.00 4.31 0.25 4.34 3.01 -1.26 0.84 119.74 126.23 2ff0 s LYS 19 Ca 0.60 1.70 -0.30 0.00 -1.01 0.00 0.00 55.97 56.96 2ff0 s LYS 19 Cb -0.15 -3.63 -0.09 0.00 -1.01 0.00 0.00 37.83 32.95 2ff0 s LYS 19 CO 0.55 -0.54 1.07 0.14 0.51 0.00 0.00 175.35 177.08 2ff0 s VAL 20 N 2.64 3.65 -2.28 3.17 -7.23 -0.09 -4.29 120.40 115.97 2ff0 s VAL 20 Ca 0.56 1.62 0.20 0.00 -1.81 0.00 0.00 61.98 62.56 2ff0 s VAL 20 Cb -0.24 -4.03 0.43 0.00 0.56 0.00 0.00 36.38 33.10 2ff0 s VAL 20 CO 0.20 0.37 1.46 -0.24 -0.31 0.00 0.00 175.10 176.58 2ff0 n SER 21 N 1.45 2.34 0.00 4.85 2.88 -0.22 -4.01 113.62 120.90 2ff0 n SER 21 Ca -0.01 -1.85 0.00 0.00 -1.33 0.00 0.00 58.87 55.68 2ff0 n SER 21 Cb 0.45 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 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 1.26 1.13 3.62 0.46 0.00 -1.23 -5.01 105.19 105.42 2ff0 n GLY 22 Ca 0.17 -2.21 -0.44 0.00 0.00 0.00 0.00 46.02 43.54 2ff0 n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ff0 n TYR 23 N -1.25 2.19 -4.06 1.61 4.01 -1.26 -1.65 117.16 116.74 2ff0 n TYR 23 Ca 0.00 -0.17 -0.24 0.00 -0.16 0.00 0.00 57.90 57.32 2ff0 n TYR 23 Cb 0.00 -2.73 -0.17 0.00 -0.31 0.00 0.00 39.34 36.13 2ff0 n TYR 23 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2ff0 s HIS 24 N 6.25 1.18 0.00 -0.72 3.76 0.19 -4.86 115.29 121.09 2ff0 s HIS 24 Ca 0.96 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 55.38 2ff0 s HIS 24 Cb -0.46 -1.01 0.00 0.00 1.11 0.00 0.00 32.58 32.22 2ff0 s HIS 24 CO 0.41 -0.37 0.00 0.66 -0.85 0.00 0.00 174.74 174.59 2ff0 n TYR 25 N 4.58 0.00 0.00 1.40 4.02 -1.26 -2.72 117.16 123.18 2ff0 n TYR 25 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 2ff0 n TYR 25 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 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 0.00 0.00 2.47 2.72 0.00 -1.25 -4.13 105.19 105.00 2ff0 n GLY 26 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.01 0.00 -4.63 0.99 -0.00 -1.10 -4.89 117.00 106.36 2ff0 n LEU 27 Ca 0.00 -1.72 -0.43 0.00 -0.00 0.00 0.00 56.01 53.86 2ff0 n LEU 27 Cb 0.12 2.48 -0.02 0.00 -0.00 0.00 0.00 43.42 46.00 2ff0 n LEU 27 CO 0.00 -0.56 1.09 -1.48 -0.00 0.00 0.00 177.39 176.44 2ff0 s LEU 28 N 0.00 3.88 0.29 1.47 2.34 -1.26 0.54 118.68 125.94 2ff0 s LEU 28 Ca 0.11 1.14 0.03 0.00 0.06 0.00 0.00 54.13 55.47 2ff0 s LEU 28 Cb -0.03 -3.54 -0.06 0.00 -0.56 0.00 0.00 46.19 42.00 2ff0 s LEU 28 CO 0.08 -1.04 0.04 0.42 -1.06 0.00 0.00 176.35 174.79 2ff0 s THR 29 N 4.22 1.07 0.62 5.48 -4.23 -0.66 -4.76 115.64 117.38 2ff0 s THR 29 Ca 0.53 -2.02 -0.06 0.00 -1.18 0.00 0.00 61.69 58.97 2ff0 s THR 29 Cb -0.15 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 71.07 2ff0 s THR 29 CO 0.22 -0.09 0.93 0.00 -0.54 0.00 0.00 174.62 175.14 2ff0 h GLU 31 N -0.29 0.00 -0.54 0.00 4.39 -1.94 -0.26 114.58 115.94 2ff0 h GLU 31 Ca -0.45 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.32 2ff0 h GLU 31 Cb 1.28 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.87 2ff0 h GLU 31 CO 0.60 0.30 0.21 0.77 -1.16 0.00 0.00 179.01 179.74 2ff0 h SER 32 N 0.00 0.24 0.04 1.42 0.02 -1.93 0.20 113.55 113.54 2ff0 h SER 32 Ca -0.00 0.06 -0.20 0.00 -0.84 0.00 0.00 61.79 60.81 2ff0 h SER 32 Cb 0.55 0.03 0.02 0.00 0.14 0.00 0.00 62.40 63.13 2ff0 h SER 32 CO 0.04 0.16 -0.81 0.00 -1.14 0.00 0.00 176.83 175.09 2ff0 h LYS 34 N -0.02 0.00 0.16 0.00 3.64 -0.83 0.37 116.57 119.89 2ff0 h LYS 34 Ca -0.11 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2ff0 h LYS 34 Cb 1.52 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 2ff0 h LYS 34 CO 0.16 0.00 -0.08 0.78 -2.27 0.00 0.00 179.45 178.04 2ff0 h GLY 35 N 0.00 -0.22 1.01 5.01 0.00 -0.68 -2.58 103.07 105.61 2ff0 h GLY 35 Ca 0.20 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2ff0 h GLY 35 CO -0.42 -0.08 0.57 -2.75 0.00 0.00 0.00 176.54 173.86 2ff0 h PHE 36 N -0.49 1.16 -0.07 5.60 3.57 -1.14 -1.28 116.94 124.29 2ff0 h PHE 36 Ca -0.02 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2ff0 h PHE 36 Cb 0.38 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2ff0 h PHE 36 CO 0.02 0.75 -0.04 0.35 -2.23 0.00 0.00 178.31 177.16 2ff0 h PHE 37 N 1.23 -0.09 0.06 0.41 3.57 -0.25 -0.59 116.94 121.29 2ff0 h PHE 37 Ca 0.33 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.84 2ff0 h PHE 37 Cb -0.10 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2ff0 h PHE 37 CO -0.00 -0.06 -0.06 0.87 -2.23 0.00 0.00 178.31 176.82 2ff0 h LYS 38 N -0.04 -0.14 -0.41 1.11 1.57 -1.10 -1.43 116.57 116.13 2ff0 h LYS 38 Ca 0.04 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2ff0 h LYS 38 Cb 0.09 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 2ff0 h LYS 38 CO -0.09 -0.09 0.17 0.00 -0.57 0.00 0.00 179.45 178.87 2ff0 h ARG 39 N -0.14 0.35 -0.00 3.15 2.47 -0.93 0.47 114.38 119.75 2ff0 h ARG 39 Ca 0.00 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2ff0 h ARG 39 Cb 0.14 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2ff0 h ARG 39 CO -0.02 0.23 0.00 1.15 0.56 0.00 0.00 179.97 181.89 2ff0 h THR 40 N 0.36 1.13 -0.06 2.04 2.02 -1.06 -1.63 112.91 115.70 2ff0 h THR 40 Ca 0.18 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 2ff0 h THR 40 Cb 0.13 1.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2ff0 h THR 40 CO -0.16 0.10 0.02 0.58 0.37 0.00 0.00 175.52 176.43 2ff0 h VAL 41 N -0.15 1.16 -0.31 3.16 2.07 -0.79 0.75 116.25 122.14 2ff0 h VAL 41 Ca 0.00 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 2ff0 h VAL 41 Cb 0.16 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2ff0 h VAL 41 CO -0.00 0.13 -0.12 1.56 0.02 0.00 0.00 177.57 179.17 2ff0 h GLN 42 N -0.08 0.53 -0.00 1.57 4.20 -0.08 -0.85 115.11 120.39 2ff0 h GLN 42 Ca 0.02 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.58 2ff0 h GLN 42 Cb 0.19 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2ff0 h GLN 42 CO -0.00 0.65 -0.08 0.09 -0.67 0.00 0.00 178.83 178.81 2ff0 n ASN 43 N -4.20 0.36 -2.24 1.46 5.03 -0.62 -4.88 115.26 110.18 2ff0 n ASN 43 Ca 0.01 -0.51 -0.21 0.00 0.87 0.00 0.00 54.58 54.74 2ff0 n ASN 43 Cb 0.32 -0.11 -0.03 0.00 -1.02 0.00 0.00 39.78 38.95 2ff0 n ASN 43 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2ff0 n ASN 44 N -1.02 -5.86 -4.63 6.41 5.03 -0.33 -4.89 115.26 109.99 2ff0 n ASN 44 Ca 0.15 0.09 -0.43 0.00 0.87 0.00 0.00 54.58 55.26 2ff0 n ASN 44 Cb 0.26 -4.93 -0.02 0.00 -1.02 0.00 0.00 39.78 34.07 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 -4.79 3.83 -0.89 3.52 1.02 0.19 -4.94 119.74 117.68 2ff0 s LYS 45 Ca 0.00 1.43 -0.06 0.00 0.02 0.00 0.00 55.97 57.36 2ff0 s LYS 45 Cb 0.00 -3.97 0.22 0.00 -0.52 0.00 0.00 37.83 33.57 2ff0 s LYS 45 CO 0.00 -1.24 0.80 -1.01 -0.92 0.00 0.00 175.35 172.98 2ff0 s HIS 46 N 4.87 3.88 0.87 3.18 3.76 -1.26 -4.77 115.29 125.82 2ff0 s HIS 46 Ca 0.64 -2.71 -0.11 0.00 -0.15 0.00 0.00 55.06 52.73 2ff0 s HIS 46 Cb -0.20 -3.49 0.11 0.00 1.11 0.00 0.00 32.58 30.11 2ff0 s HIS 46 CO 0.27 -0.85 1.09 0.71 -0.85 0.00 0.00 174.74 175.11 2ff0 s TYR 47 N -0.83 2.30 0.42 1.40 2.02 -1.26 -5.08 117.35 116.33 2ff0 s TYR 47 Ca 0.25 1.39 0.04 0.00 -0.37 0.00 0.00 57.07 58.38 2ff0 s TYR 47 Cb -0.11 -3.14 -0.02 0.00 -0.40 0.00 0.00 41.96 38.30 2ff0 s TYR 47 CO -0.09 -2.30 0.14 -0.08 -1.57 0.00 0.00 175.55 171.65 2ff0 s THR 48 N -2.88 0.52 0.09 -0.71 -1.32 -1.26 -4.77 115.64 105.31 2ff0 s THR 48 Ca 0.63 -2.00 -0.25 0.00 -1.21 0.00 0.00 61.69 58.86 2ff0 s THR 48 Cb -0.18 -2.29 0.07 0.00 -1.51 0.00 0.00 72.50 68.58 2ff0 s THR 48 CO 0.57 0.00 0.61 0.00 -2.21 0.00 0.00 174.62 173.59 2ff0 s THR 50 N -2.96 5.06 0.00 0.00 -4.23 -1.26 -4.69 115.64 107.56 2ff0 s THR 50 Ca -0.03 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 2ff0 s THR 50 Cb -0.01 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.25 2ff0 s THR 50 CO -0.06 -0.06 0.00 -0.62 -0.54 0.00 0.00 174.62 173.34 2ff0 n GLU 51 N -0.36 0.00 0.25 3.99 -0.58 -1.26 -3.31 120.64 119.37 2ff0 n GLU 51 Ca -0.07 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.54 2ff0 n GLU 51 Cb 0.54 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.34 2ff0 n GLU 51 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2ff0 h SER 52 N 0.00 -0.57 0.00 1.62 0.02 -2.04 -3.46 113.55 109.13 2ff0 h SER 52 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2ff0 h SER 52 Cb 0.00 0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2ff0 h SER 52 CO 0.00 -0.18 0.00 0.00 -1.14 0.00 0.00 176.83 175.51 2ff0 n GLN 53 N -5.25 0.00 -1.69 3.45 6.02 -1.21 -4.61 117.38 114.09 2ff0 n GLN 53 Ca -0.10 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.55 2ff0 n GLN 53 Cb 0.31 -1.24 0.05 0.00 1.02 0.00 0.00 30.24 30.39 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 0.41 6.92 -4.32 1.08 7.64 -1.26 -4.14 113.62 119.95 2ff0 n SER 54 Ca 0.00 -3.79 -0.29 0.00 1.01 0.00 0.00 58.87 55.81 2ff0 n SER 54 Cb 0.00 -0.84 0.25 0.00 -1.01 0.00 0.00 64.21 62.61 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 -4.64 3.74 -0.19 0.00 1.02 -1.26 -4.82 119.74 113.59 2ff0 s LYS 56 Ca 0.68 0.13 -0.01 0.00 0.02 0.00 0.00 55.97 56.79 2ff0 s LYS 56 Cb -0.22 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 34.14 2ff0 s LYS 56 CO 0.63 0.53 -0.12 0.42 -0.92 0.00 0.00 175.35 175.89 2ff0 s ILE 57 N -1.47 2.83 0.10 2.17 -1.09 -1.25 -4.82 121.20 117.66 2ff0 s ILE 57 Ca 0.35 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 2ff0 s ILE 57 Cb -0.13 -2.24 -0.00 0.00 -1.58 0.00 0.00 42.46 38.51 2ff0 s ILE 57 CO 0.19 0.48 0.01 0.47 -1.23 0.00 0.00 174.94 174.87 2ff0 n ASP 58 N 4.49 1.93 0.22 3.58 8.00 -1.26 -3.73 116.55 129.78 2ff0 n ASP 58 Ca -0.19 -1.46 0.06 0.00 0.71 0.00 0.00 54.79 53.91 2ff0 n ASP 58 Cb 0.51 0.12 0.51 0.00 -0.02 0.00 0.00 41.12 42.23 2ff0 n ASP 58 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2ff0 h LYS 59 N 0.00 0.00 0.00 -1.24 3.11 -1.96 -1.27 116.57 115.21 2ff0 h LYS 59 Ca -0.08 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.57 2ff0 h LYS 59 Cb 0.26 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.47 2ff0 h LYS 59 CO 0.14 0.24 -1.02 1.79 -2.81 0.00 0.00 179.45 177.79 2ff0 h THR 60 N 0.00 1.09 0.00 1.00 1.35 -1.94 -3.38 112.91 111.02 2ff0 h THR 60 Ca -0.00 -2.21 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 2ff0 h THR 60 Cb 0.47 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 2ff0 h THR 60 CO 0.03 0.37 0.00 0.00 -0.25 0.00 0.00 175.52 175.67 2ff0 n GLN 61 N -4.46 0.96 0.06 4.72 6.02 -1.19 -3.84 117.38 119.64 2ff0 n GLN 61 Ca -0.28 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.72 2ff0 n GLN 61 Cb 0.65 -1.10 0.34 0.00 1.02 0.00 0.00 30.24 31.15 2ff0 n GLN 61 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2ff0 h ARG 62 N 0.00 0.38 -0.01 -1.09 0.11 -1.41 -2.29 114.38 110.07 2ff0 h ARG 62 Ca 0.00 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 59.99 2ff0 h ARG 62 Cb 0.00 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.03 2ff0 h ARG 62 CO 0.00 0.47 -0.63 1.63 0.10 0.00 0.00 179.97 181.54 2ff0 n LYS 63 N -4.27 0.63 0.21 0.08 5.02 -1.25 -4.65 118.16 113.94 2ff0 n LYS 63 Ca 0.00 -0.50 -0.09 0.00 -2.02 0.00 0.00 58.31 55.71 2ff0 n LYS 63 Cb 0.26 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.74 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 1.22 -0.55 -4.26 1.97 -0.00 -1.62 -3.40 114.38 107.73 2ff0 h ARG 64 Ca 0.00 0.04 -0.68 0.00 -0.50 0.00 0.00 59.98 58.84 2ff0 h ARG 64 Cb 0.61 0.12 -0.37 0.00 0.00 0.00 0.00 29.97 30.34 2ff0 h ARG 64 CO 0.00 -0.37 -0.58 0.00 0.00 0.00 0.00 179.97 179.03 2ff0 h PRO 66 N 7.57 1.26 -0.27 0.00 0.13 -1.85 0.28 132.00 139.12 2ff0 h PRO 66 Ca -0.08 -0.14 -0.02 0.00 -0.87 0.00 0.00 66.00 64.90 2ff0 h PRO 66 Cb 1.01 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 2ff0 h PRO 66 CO 0.65 0.91 0.10 0.35 -0.23 0.00 0.00 178.00 179.78 2ff0 h PHE 67 N 1.27 0.43 -0.04 1.56 3.57 -1.86 -0.86 116.94 121.00 2ff0 h PHE 67 Ca 0.32 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 2ff0 h PHE 67 Cb 0.00 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2ff0 h PHE 67 CO 0.01 0.44 -0.28 0.00 -2.23 0.00 0.00 178.31 176.24 2ff0 h ARG 69 N 0.06 0.54 -0.14 0.00 2.43 -0.69 0.21 114.38 116.79 2ff0 h ARG 69 Ca 0.01 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 2ff0 h ARG 69 Cb 0.54 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2ff0 h ARG 69 CO 0.04 0.77 0.03 0.35 -1.51 0.00 0.00 179.97 179.65 2ff0 h PHE 70 N 0.28 0.23 0.00 2.20 3.57 -0.41 -1.67 116.94 121.15 2ff0 h PHE 70 Ca 0.06 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2ff0 h PHE 70 Cb 0.59 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 2ff0 h PHE 70 CO 0.06 0.37 -0.04 -0.56 -2.23 0.00 0.00 178.31 175.91 2ff0 h GLN 71 N 0.03 0.00 -0.28 1.11 -0.00 -0.28 -1.74 115.11 113.94 2ff0 h GLN 71 Ca 0.04 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.51 2ff0 h GLN 71 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.74 2ff0 h GLN 71 CO 0.00 0.04 -0.55 -0.22 -0.00 0.00 0.00 178.83 178.10 2ff0 h LYS 72 N 0.00 0.86 -0.80 0.06 1.63 -0.20 0.46 116.57 118.57 2ff0 h LYS 72 Ca -0.00 -0.54 -0.01 0.00 -0.85 0.00 0.00 60.65 59.25 2ff0 h LYS 72 Cb 0.53 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.19 2ff0 h LYS 72 CO 0.00 1.18 0.47 0.00 -3.45 0.00 0.00 179.45 177.65 2ff0 h LEU 74 N 1.11 0.52 -0.73 0.00 3.38 -1.12 0.93 115.31 119.40 2ff0 h LEU 74 Ca 0.29 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2ff0 h LEU 74 Cb -0.02 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 2ff0 h LEU 74 CO -0.05 1.00 0.44 0.74 0.09 0.00 0.00 178.44 180.66 2ff0 h THR 75 N 0.34 1.05 0.00 0.22 2.02 0.86 -1.32 112.91 116.08 2ff0 h THR 75 Ca -0.01 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2ff0 h THR 75 Cb 1.15 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2ff0 h THR 75 CO 0.11 0.15 -0.00 1.33 0.37 0.00 0.00 175.52 177.48 2ff0 n VAL 76 N -4.68 0.49 0.00 3.16 0.24 -0.28 -4.92 118.33 112.34 2ff0 n VAL 76 Ca 0.09 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2ff0 n VAL 76 Cb 0.13 -0.57 0.00 0.00 -1.47 0.00 0.00 33.84 31.93 2ff0 n VAL 76 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ff0 n GLY 77 N 1.34 1.74 3.62 7.63 0.00 -0.50 -4.79 105.19 114.23 2ff0 n GLY 77 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.47 3.77 0.40 1.61 -1.94 0.27 -3.76 119.30 119.18 2ff0 s MET 78 Ca 0.00 1.35 -0.23 0.00 -1.71 0.00 0.00 55.69 55.10 2ff0 s MET 78 Cb 0.00 -3.98 -0.10 0.00 2.01 0.00 0.00 34.83 32.76 2ff0 s MET 78 CO 0.00 -1.32 1.00 1.03 -0.01 0.00 0.00 175.02 175.72 2ff0 s ARG 79 N 4.59 4.25 0.32 2.03 1.81 -1.26 -4.53 118.95 126.15 2ff0 s ARG 79 Ca 0.64 1.35 0.26 0.00 -1.72 0.00 0.00 55.73 56.27 2ff0 s ARG 79 Cb -0.19 -2.47 0.86 0.00 -0.45 0.00 0.00 34.95 32.69 2ff0 s ARG 79 CO 0.28 -0.04 1.76 -0.07 -0.68 0.00 0.00 175.30 176.55 2ff0 h LEU 80 N 2.42 0.00 0.00 2.53 -0.00 -1.94 -2.89 115.31 115.43 2ff0 h LEU 80 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2ff0 h LEU 80 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 2ff0 h LEU 80 CO 0.62 0.00 0.00 -0.62 -0.00 0.00 0.00 178.44 178.44 2ff0 n GLU 81 N -2.53 0.93 -0.05 1.13 1.02 -1.26 -2.79 120.64 117.09 2ff0 n GLU 81 Ca 0.04 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.23 2ff0 n GLU 81 Cb 0.37 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.37 2ff0 n GLU 81 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ff0 n ALA 82 N -1.00 2.38 -3.12 0.62 0.00 -1.09 -4.94 120.51 113.36 2ff0 n ALA 82 Ca 0.22 -0.76 -0.33 0.00 0.00 0.00 0.00 53.44 52.58 2ff0 n ALA 82 Cb 0.10 -0.35 -0.15 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.88 2.67 -0.02 0.00 0.11 -1.12 -4.86 120.40 116.29 2ff0 s VAL 83 Ca 0.14 -0.80 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 2ff0 s VAL 83 Cb 0.09 -2.09 0.02 0.00 -1.53 0.00 0.00 36.38 32.87 2ff0 s VAL 83 CO 0.13 0.54 -0.00 -0.13 -3.33 0.00 0.00 175.10 172.31 2ff0 s ARG 84 N 0.32 0.19 0.00 1.54 0.52 -1.26 -4.96 118.95 115.30 2ff0 s ARG 84 Ca -0.14 0.04 0.24 0.00 -0.52 0.00 0.00 55.73 55.36 2ff0 s ARG 84 Cb -0.17 -0.33 1.17 0.00 0.52 0.00 0.00 34.95 36.15 2ff0 s ARG 84 CO 0.07 -0.08 1.79 0.00 0.02 0.00 0.00 175.30 177.10 2ff0 n ALA 85 N 3.76 2.59 0.24 2.13 0.00 -1.26 -4.17 120.51 123.80 2ff0 n ALA 85 Ca -0.22 -0.33 0.14 0.00 0.00 0.00 0.00 53.44 53.03 2ff0 n ALA 85 Cb 0.53 -1.26 0.71 0.00 0.00 0.00 0.00 19.45 19.43 2ff0 n ALA 85 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2ff0 h ASP 86 N 1.18 0.00 0.00 0.00 3.58 -2.02 -3.45 116.42 115.71 2ff0 h ASP 86 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ff0 h ASP 86 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2ff0 h ASP 86 CO 0.00 0.00 0.00 -1.14 -2.88 0.00 0.00 179.24 175.22 2ff0 n ARG 87 N -2.46 0.00 -1.96 0.28 3.00 -1.26 -4.98 116.66 109.28 2ff0 n ARG 87 Ca -0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.41 2ff0 n ARG 87 Cb 0.09 -1.08 -0.03 0.00 0.00 0.00 0.00 32.46 31.44 2ff0 n ARG 87 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 2ff0 s MET 88 N -0.09 3.76 -1.37 -0.14 1.75 -1.26 -4.88 119.30 117.06 2ff0 s MET 88 Ca 0.00 1.89 -0.09 0.00 -1.25 0.00 0.00 55.69 56.24 2ff0 s MET 88 Cb 0.00 -4.11 -0.09 0.00 2.84 0.00 0.00 34.83 33.48 2ff0 s MET 88 CO 0.00 -1.35 2.99 0.54 -0.65 0.00 0.00 175.02 176.54 2ff0 n ARG 89 N 7.79 3.57 0.00 4.11 1.74 -1.26 -4.77 116.66 127.84 2ff0 n ARG 89 Ca 0.21 -2.19 0.00 0.00 -0.77 0.00 0.00 57.85 55.10 2ff0 n ARG 89 Cb 0.44 -2.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.21 2ff0 n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ff0 n GLY 90 N 3.20 0.28 2.27 -0.13 0.00 -1.26 -5.09 105.19 104.46 2ff0 n GLY 90 Ca 0.72 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 2ff0 n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ff0 n GLY 91 N 0.00 -0.95 2.87 -0.02 0.00 -1.26 -5.07 105.19 100.76 2ff0 n GLY 91 Ca 0.00 0.47 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.28 0.28 -0.22 1.61 3.52 -1.26 -5.02 118.95 115.59 2ff0 s ARG 92 Ca 0.09 0.44 -0.06 0.00 -0.13 0.00 0.00 55.73 56.07 2ff0 s ARG 92 Cb -0.02 -0.69 -0.11 0.00 -1.56 0.00 0.00 34.95 32.56 2ff0 s ARG 92 CO 0.41 -0.62 -0.25 -1.71 -0.81 0.00 0.00 175.30 172.33 2ff0 n ASN 93 N 5.35 1.88 0.18 -2.12 5.15 -1.26 -3.08 115.26 121.36 2ff0 n ASN 93 Ca -0.05 0.12 0.14 0.00 -0.60 0.00 0.00 54.58 54.19 2ff0 n ASN 93 Cb 0.50 -0.52 0.49 0.00 -0.53 0.00 0.00 39.78 39.72 2ff0 n ASN 93 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 2ff0 h LYS 94 N -0.48 0.00 -0.01 1.20 2.10 -2.02 -2.51 116.57 114.85 2ff0 h LYS 94 Ca -0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 2ff0 h LYS 94 Cb 1.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.91 2ff0 h LYS 94 CO -0.24 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.40 2ff0 n PHE 95 N -2.60 0.01 0.29 0.07 3.72 -1.26 -4.80 117.46 112.89 2ff0 n PHE 95 Ca 0.03 -0.04 -0.17 0.00 -0.05 0.00 0.00 57.45 57.22 2ff0 n PHE 95 Cb 0.33 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.78 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 0.51 -0.86 2.00 1.37 0.00 -1.37 -3.05 103.07 101.67 2ff0 h GLY 96 Ca 0.00 0.37 -0.08 0.00 0.00 0.00 0.00 47.33 47.62 2ff0 h GLY 96 CO 0.00 -0.31 -0.38 -0.56 0.00 0.00 0.00 176.54 175.29 2ff0 h PRO 97 N -0.80 0.00 0.00 4.80 0.13 -1.86 -3.22 132.00 131.05 2ff0 h PRO 97 Ca -0.05 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.97 2ff0 h PRO 97 Cb 0.66 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 2ff0 h PRO 97 CO 0.04 0.38 -0.49 0.00 -0.23 0.00 0.00 178.00 177.70 2ff0 h MET 98 N 0.00 0.00 -0.02 0.86 -0.00 -1.85 0.43 114.93 114.35 2ff0 h MET 98 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2ff0 h MET 98 Cb 0.71 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.31 2ff0 h MET 98 CO 0.05 0.49 -0.00 1.88 -0.00 0.00 0.00 176.91 179.33 2ff0 h TYR 99 N 0.00 0.04 -0.65 -0.10 0.05 -1.55 -1.78 116.97 112.97 2ff0 h TYR 99 Ca -0.00 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 2ff0 h TYR 99 Cb 0.87 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.57 2ff0 h TYR 99 CO 0.00 0.40 0.34 0.87 -1.05 0.00 0.00 178.16 178.73 2ff0 h LYS 100 N -0.34 0.92 0.31 4.88 1.79 -1.50 -1.62 116.57 121.02 2ff0 h LYS 100 Ca 0.00 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 2ff0 h LYS 100 Cb 0.39 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 2ff0 h LYS 100 CO 0.00 0.71 -0.21 -0.09 -1.08 0.00 0.00 179.45 178.78 2ff0 h ARG 101 N 0.90 -0.50 -0.29 3.15 2.43 -0.18 -1.51 114.38 118.37 2ff0 h ARG 101 Ca 0.23 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 2ff0 h ARG 101 Cb 0.07 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2ff0 h ARG 101 CO -0.03 -0.33 0.06 0.22 -1.51 0.00 0.00 179.97 178.37 2ff0 h ASP 102 N -0.52 0.38 -0.36 -3.80 1.82 -1.11 0.16 116.42 113.00 2ff0 h ASP 102 Ca -0.03 -0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.52 2ff0 h ASP 102 Cb 0.44 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 2ff0 h ASP 102 CO 0.01 0.41 0.05 -0.09 -1.61 0.00 0.00 179.24 178.01 2ff0 h ARG 103 N 0.42 0.60 -0.53 0.28 9.65 -1.07 -0.81 114.38 122.92 2ff0 h ARG 103 Ca 0.10 -0.16 -0.10 0.00 -1.10 0.00 0.00 59.98 58.71 2ff0 h ARG 103 Cb 0.19 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 2ff0 h ARG 103 CO -0.00 0.67 -0.08 0.00 2.80 0.00 0.00 179.97 183.36 2ff0 h ALA 104 N 0.90 0.85 -0.26 2.80 0.00 -0.20 -2.84 119.26 120.52 2ff0 h ALA 104 Ca 0.11 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2ff0 h ALA 104 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2ff0 h ALA 104 CO 0.01 0.65 -0.20 -0.07 0.00 0.00 0.00 179.25 179.64 2ff0 h LEU 105 N 0.87 0.46 -1.28 0.00 3.38 -0.61 -2.23 115.31 115.90 2ff0 h LEU 105 Ca 0.14 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2ff0 h LEU 105 Cb 0.63 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2ff0 h LEU 105 CO 0.04 0.67 -0.35 0.50 0.09 0.00 0.00 178.44 179.40 2ff0 h LYS 106 N 0.42 0.00 -0.71 1.13 3.64 -0.92 -2.39 116.57 117.75 2ff0 h LYS 106 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2ff0 h LYS 106 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2ff0 h LYS 106 CO 0.04 0.35 0.00 1.04 -2.27 0.00 0.00 179.45 178.61 2ff0 n GLN 107 N -3.97 2.70 -3.40 1.90 1.13 -1.00 -4.91 117.38 109.83 2ff0 n GLN 107 Ca -0.02 -2.63 -0.39 0.00 -1.94 0.00 0.00 57.00 52.03 2ff0 n GLN 107 Cb 0.40 -1.57 -0.09 0.00 0.11 0.00 0.00 30.24 29.10 2ff0 n GLN 107 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2ff0 s GLN 108 N -1.05 4.07 -0.15 -1.09 0.74 -0.87 -4.94 119.66 116.36 2ff0 s GLN 108 Ca 0.49 0.09 -0.05 0.00 0.05 0.00 0.00 55.36 55.93 2ff0 s GLN 108 Cb 0.25 -3.62 -0.24 0.00 1.10 0.00 0.00 33.01 30.51 2ff0 s GLN 108 CO 0.34 -0.20 0.24 1.63 -0.55 0.00 0.00 175.29 176.75 2ff0 n LYS 109 N 5.04 0.74 -2.73 1.67 4.76 -1.26 -4.77 118.16 121.61 2ff0 n LYS 109 Ca -0.08 0.24 -0.42 0.00 -2.87 0.00 0.00 58.31 55.17 2ff0 n LYS 109 Cb 0.51 -1.67 -0.03 0.00 -1.84 0.00 0.00 35.03 32.00 2ff0 n LYS 109 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2ff0 s LYS 110 N -2.55 3.29 0.00 1.97 1.02 -1.26 -5.25 119.74 116.96 2ff0 s LYS 110 Ca -0.25 -0.86 0.27 0.00 0.02 0.00 0.00 55.97 55.15 2ff0 s LYS 110 Cb 0.07 -4.51 0.82 0.00 -0.52 0.00 0.00 37.83 33.69 2ff0 s LYS 110 CO 0.73 -1.97 1.62 0.00 -0.92 0.00 0.00 175.35 174.81