#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 0.80 0.05 -0.67 0.41 -1.26 -5.17 118.70 112.87 2ff0 s GLU 11 Ca 0.00 -1.28 0.04 0.00 -0.41 0.00 0.00 54.97 53.32 2ff0 s GLU 11 Cb 0.00 0.25 -0.03 0.00 -1.78 0.00 0.00 34.13 32.57 2ff0 s GLU 11 CO 0.00 -0.21 -0.12 -0.51 -0.49 0.00 0.00 175.26 173.93 2ff0 s LEU 12 N -2.97 2.24 -0.15 1.80 1.43 -1.26 -4.50 118.68 115.28 2ff0 s LEU 12 Ca 0.14 -0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 52.40 2ff0 s LEU 12 Cb 0.07 -0.41 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 2ff0 s LEU 12 CO -0.05 -0.09 1.64 0.00 0.23 0.00 0.00 176.35 178.08 2ff0 n PRO 14 N 7.44 0.08 -0.08 0.00 -0.04 -1.26 -0.50 135.00 140.64 2ff0 n PRO 14 Ca 0.18 0.24 -0.11 0.00 -0.04 0.00 0.00 63.50 63.77 2ff0 n PRO 14 Cb 0.44 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.56 0.00 0.52 2.07 -1.89 -3.44 116.25 114.08 2ff0 h VAL 15 Ca 0.00 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.92 2ff0 h VAL 15 Cb 0.16 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2ff0 h VAL 15 CO 0.00 0.19 -0.90 0.00 0.02 0.00 0.00 177.57 176.89 2ff0 n GLY 17 N 1.77 0.63 0.87 0.00 0.00 0.35 -4.08 105.19 104.73 2ff0 n GLY 17 Ca -0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 46.02 45.21 2ff0 n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ff0 n ASP 18 N 1.48 0.74 -4.47 1.61 8.00 -1.25 -4.78 116.55 117.88 2ff0 n ASP 18 Ca 0.00 -1.37 -0.29 0.00 0.71 0.00 0.00 54.79 53.84 2ff0 n ASP 18 Cb 0.13 -0.07 0.18 0.00 -0.02 0.00 0.00 41.12 41.34 2ff0 n ASP 18 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2ff0 s LYS 19 N -2.56 0.29 0.27 -1.24 -0.14 -1.26 0.22 119.74 115.31 2ff0 s LYS 19 Ca 0.12 0.21 0.09 0.00 -1.36 0.00 0.00 55.97 55.03 2ff0 s LYS 19 Cb -0.01 -1.75 -0.04 0.00 -1.68 0.00 0.00 37.83 34.35 2ff0 s LYS 19 CO 0.07 -2.76 0.00 0.14 -0.76 0.00 0.00 175.35 172.05 2ff0 s VAL 20 N -3.17 3.43 -0.99 3.17 -7.23 -1.26 -4.06 120.40 110.29 2ff0 s VAL 20 Ca 0.67 -1.90 0.12 0.00 -1.81 0.00 0.00 61.98 59.06 2ff0 s VAL 20 Cb -0.14 -2.86 0.36 0.00 0.56 0.00 0.00 36.38 34.30 2ff0 s VAL 20 CO 0.55 -0.36 1.30 -0.24 -0.31 0.00 0.00 175.10 176.03 2ff0 n SER 21 N -0.91 3.10 0.00 4.85 2.88 0.11 -4.80 113.62 118.85 2ff0 n SER 21 Ca -0.06 -2.06 0.00 0.00 -1.33 0.00 0.00 58.87 55.42 2ff0 n SER 21 Cb 0.59 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 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 0.58 -0.09 3.57 0.46 0.00 -1.23 -4.95 105.19 103.53 2ff0 n GLY 22 Ca 0.13 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.19 2.61 -0.04 1.61 6.14 -1.26 -1.88 117.35 124.34 2ff0 s TYR 23 Ca 0.00 0.33 0.01 0.00 0.64 0.00 0.00 57.07 58.06 2ff0 s TYR 23 Cb 0.00 -4.47 0.02 0.00 0.42 0.00 0.00 41.96 37.93 2ff0 s TYR 23 CO 0.00 -1.59 -0.04 -1.01 0.64 0.00 0.00 175.55 173.54 2ff0 s HIS 24 N 4.89 0.69 -0.90 4.97 3.76 0.19 -4.82 115.29 124.06 2ff0 s HIS 24 Ca 0.41 -0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 2ff0 s HIS 24 Cb -0.08 -0.61 0.00 0.00 1.11 0.00 0.00 32.58 33.00 2ff0 s HIS 24 CO 0.24 -0.16 0.00 0.66 -0.85 0.00 0.00 174.74 174.63 2ff0 n TYR 25 N 3.91 0.00 0.00 1.40 4.01 -1.26 -2.16 117.16 123.06 2ff0 n TYR 25 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 2ff0 n TYR 25 Cb 0.51 -2.09 0.00 0.00 -0.31 0.00 0.00 39.34 37.45 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 -0.75 1.17 3.25 2.72 0.00 -1.26 -0.98 105.19 109.34 2ff0 n GLY 26 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 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 1.46 -0.65 0.99 1.02 -0.92 -4.99 118.68 115.58 2ff0 s LEU 27 Ca 0.00 -1.58 -0.27 0.00 0.02 0.00 0.00 54.13 52.30 2ff0 s LEU 27 Cb 0.00 0.50 0.04 0.00 0.02 0.00 0.00 46.19 46.75 2ff0 s LEU 27 CO 0.00 -0.97 1.18 -0.76 0.02 0.00 0.00 176.35 175.82 2ff0 s LEU 28 N -3.27 3.50 0.12 1.79 2.01 -1.26 0.53 118.68 122.10 2ff0 s LEU 28 Ca 0.40 -0.30 0.08 0.00 0.01 0.00 0.00 54.13 54.31 2ff0 s LEU 28 Cb 0.04 -2.79 -0.04 0.00 0.01 0.00 0.00 46.19 43.42 2ff0 s LEU 28 CO 0.20 -1.60 -0.18 0.42 1.01 0.00 0.00 176.35 176.20 2ff0 s THR 29 N 5.09 1.63 0.30 5.49 -4.23 -0.79 -4.30 115.64 118.83 2ff0 s THR 29 Ca 0.36 -1.68 0.02 0.00 -1.18 0.00 0.00 61.69 59.21 2ff0 s THR 29 Cb -0.09 -1.61 -0.03 0.00 1.34 0.00 0.00 72.50 72.11 2ff0 s THR 29 CO 0.19 -0.23 0.48 0.00 -0.54 0.00 0.00 174.62 174.51 2ff0 n GLU 31 N -1.59 0.21 -0.02 0.00 4.07 -1.26 -0.32 120.64 121.74 2ff0 n GLU 31 Ca -0.06 0.12 -0.16 0.00 -0.06 0.00 0.00 57.16 56.99 2ff0 n GLU 31 Cb 0.56 -1.50 -0.10 0.00 -0.06 0.00 0.00 31.44 30.34 2ff0 n GLU 31 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2ff0 h SER 32 N 0.00 0.43 0.10 4.31 4.64 -1.95 0.46 113.55 121.54 2ff0 h SER 32 Ca 0.00 -0.72 -0.28 0.00 -0.47 0.00 0.00 61.79 60.32 2ff0 h SER 32 Cb 0.23 -0.13 0.03 0.00 -0.31 0.00 0.00 62.40 62.21 2ff0 h SER 32 CO 0.00 1.09 -1.15 0.00 -0.87 0.00 0.00 176.83 175.89 2ff0 h LYS 34 N 0.23 0.36 0.29 0.00 3.64 -0.77 0.48 116.57 120.79 2ff0 h LYS 34 Ca -0.17 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 2ff0 h LYS 34 Cb 1.84 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 2ff0 h LYS 34 CO 0.22 0.41 -0.14 0.78 -2.27 0.00 0.00 179.45 178.45 2ff0 h GLY 35 N 0.69 -0.40 0.91 5.01 0.00 -0.01 -0.73 103.07 108.55 2ff0 h GLY 35 Ca 0.08 0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.57 2ff0 h GLY 35 CO 0.01 -0.15 0.19 -2.75 0.00 0.00 0.00 176.54 173.84 2ff0 h PHE 36 N -0.54 0.35 -0.13 5.60 3.57 -1.06 -1.82 116.94 122.91 2ff0 h PHE 36 Ca -0.04 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.52 2ff0 h PHE 36 Cb 0.40 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 2ff0 h PHE 36 CO -0.02 0.20 -0.18 0.35 -2.23 0.00 0.00 178.31 176.44 2ff0 h PHE 37 N 0.39 -0.48 0.06 0.41 3.57 0.02 0.78 116.94 121.69 2ff0 h PHE 37 Ca 0.13 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 2ff0 h PHE 37 Cb 0.01 0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2ff0 h PHE 37 CO -0.08 -0.26 -0.03 0.87 -2.23 0.00 0.00 178.31 176.58 2ff0 h LYS 38 N -0.23 -0.07 -0.14 1.11 1.57 -1.03 -1.39 116.57 116.38 2ff0 h LYS 38 Ca 0.10 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2ff0 h LYS 38 Cb 0.38 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2ff0 h LYS 38 CO -0.27 0.06 0.10 0.00 -0.57 0.00 0.00 179.45 178.78 2ff0 h ARG 39 N -0.19 0.05 0.22 3.15 2.47 -1.03 0.14 114.38 119.18 2ff0 h ARG 39 Ca -0.01 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 2ff0 h ARG 39 Cb 0.17 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 2ff0 h ARG 39 CO 0.01 0.03 -0.10 1.15 0.56 0.00 0.00 179.97 181.62 2ff0 h THR 40 N 0.05 0.78 -0.67 2.04 2.02 -0.43 -3.14 112.91 113.57 2ff0 h THR 40 Ca 0.07 -0.92 -0.08 0.00 0.77 0.00 0.00 66.41 66.24 2ff0 h THR 40 Cb 0.20 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 2ff0 h THR 40 CO -0.01 0.18 0.11 -0.37 0.37 0.00 0.00 175.52 175.81 2ff0 h VAL 41 N -0.82 1.26 -0.83 3.16 -1.51 -0.76 0.24 116.25 116.99 2ff0 h VAL 41 Ca -0.03 -1.03 0.09 0.00 -1.23 0.00 0.00 66.70 64.50 2ff0 h VAL 41 Cb 0.51 0.62 -0.07 0.00 -2.13 0.00 0.00 31.29 30.23 2ff0 h VAL 41 CO 0.05 0.39 0.49 1.56 -1.23 0.00 0.00 177.57 178.83 2ff0 h GLN 42 N 1.03 0.81 -0.03 5.19 4.20 -0.85 -1.81 115.11 123.66 2ff0 h GLN 42 Ca 0.20 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2ff0 h GLN 42 Cb 0.43 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2ff0 h GLN 42 CO 0.01 0.54 -0.02 0.09 -0.67 0.00 0.00 178.83 178.78 2ff0 n ASN 43 N -4.71 2.66 -2.41 1.46 3.02 -1.10 -4.93 115.26 109.24 2ff0 n ASN 43 Ca 0.13 -1.88 -0.19 0.00 -0.03 0.00 0.00 54.58 52.62 2ff0 n ASN 43 Cb 0.25 0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.46 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 1.05 -5.43 -4.70 6.41 5.03 -0.16 -4.91 115.26 112.56 2ff0 n ASN 44 Ca 0.15 -0.16 -0.42 0.00 0.87 0.00 0.00 54.58 55.02 2ff0 n ASN 44 Cb 0.55 -4.36 -0.03 0.00 -1.02 0.00 0.00 39.78 34.91 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 -5.28 4.23 -0.07 3.52 1.02 0.68 -4.99 119.74 118.84 2ff0 s LYS 45 Ca 0.16 2.23 -0.01 0.00 0.02 0.00 0.00 55.97 58.37 2ff0 s LYS 45 Cb -0.07 -3.48 0.03 0.00 -0.52 0.00 0.00 37.83 33.79 2ff0 s LYS 45 CO 0.19 -0.65 -0.00 -1.01 -0.92 0.00 0.00 175.35 172.96 2ff0 s HIS 46 N 2.16 0.71 0.52 3.18 3.76 -1.26 -4.80 115.29 119.56 2ff0 s HIS 46 Ca 0.70 -0.20 0.04 0.00 -0.15 0.00 0.00 55.06 55.45 2ff0 s HIS 46 Cb -0.38 -0.82 0.01 0.00 1.11 0.00 0.00 32.58 32.50 2ff0 s HIS 46 CO 0.31 -0.33 0.23 0.71 -0.85 0.00 0.00 174.74 174.80 2ff0 s TYR 47 N 1.92 1.78 0.03 1.40 2.02 -1.26 -5.12 117.35 118.13 2ff0 s TYR 47 Ca 0.04 -0.87 0.01 0.00 -0.37 0.00 0.00 57.07 55.88 2ff0 s TYR 47 Cb -0.12 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 2ff0 s TYR 47 CO -0.05 -0.15 -0.05 0.95 -1.57 0.00 0.00 175.55 174.68 2ff0 s THR 48 N -2.80 0.28 -0.09 -0.71 -4.23 -1.26 -4.82 115.64 102.01 2ff0 s THR 48 Ca 0.23 -1.11 0.11 0.00 -1.18 0.00 0.00 61.69 59.74 2ff0 s THR 48 Cb -0.00 -0.57 -0.15 0.00 1.34 0.00 0.00 72.50 73.12 2ff0 s THR 48 CO 0.14 -0.54 0.09 0.00 -0.54 0.00 0.00 174.62 173.77 2ff0 n THR 50 N -2.31 -2.13 0.00 0.00 -1.04 -1.26 -4.76 114.28 102.78 2ff0 n THR 50 Ca -0.15 0.92 0.00 0.00 -2.04 0.00 0.00 64.05 62.78 2ff0 n THR 50 Cb 0.75 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 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 -1.63 0.00 -0.09 -2.82 1.02 -1.26 -3.45 120.64 112.41 2ff0 n GLU 51 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2ff0 n GLU 51 Cb 0.15 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.51 2ff0 n GLU 51 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ff0 n SER 52 N 5.76 1.83 0.00 1.62 2.88 -1.26 -4.94 113.62 119.51 2ff0 n SER 52 Ca 0.00 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 2ff0 n SER 52 Cb 0.00 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 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 -4.53 0.00 -2.63 -1.46 6.02 -1.22 -4.83 117.38 108.73 2ff0 n GLN 53 Ca -0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.38 2ff0 n GLN 53 Cb 0.45 -2.29 0.01 0.00 1.02 0.00 0.00 30.24 29.43 2ff0 n GLN 53 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ff0 n SER 54 N 0.00 5.61 -4.90 1.08 2.88 -1.26 -4.54 113.62 112.50 2ff0 n SER 54 Ca 0.00 -3.22 -0.32 0.00 -1.33 0.00 0.00 58.87 54.00 2ff0 n SER 54 Cb 0.00 -1.40 -0.05 0.00 -0.75 0.00 0.00 64.21 62.01 2ff0 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ff0 s LYS 56 N -2.49 4.01 -0.29 0.00 1.02 -1.26 -4.83 119.74 115.90 2ff0 s LYS 56 Ca 0.38 0.98 -0.01 0.00 0.02 0.00 0.00 55.97 57.34 2ff0 s LYS 56 Cb -0.12 -2.15 0.05 0.00 -0.52 0.00 0.00 37.83 35.08 2ff0 s LYS 56 CO 0.24 -0.21 -0.02 0.42 -0.92 0.00 0.00 175.35 174.86 2ff0 s ILE 57 N -2.51 2.87 0.00 2.17 -1.09 -1.26 -4.75 121.20 116.63 2ff0 s ILE 57 Ca 0.59 -1.35 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 2ff0 s ILE 57 Cb -0.10 -2.62 0.00 0.00 -1.58 0.00 0.00 42.46 38.16 2ff0 s ILE 57 CO 0.27 -0.04 0.00 -0.90 -1.23 0.00 0.00 174.94 173.03 2ff0 n ASP 58 N 4.61 1.05 -0.32 3.58 5.75 -1.26 -4.23 116.55 125.72 2ff0 n ASP 58 Ca -0.14 -0.63 0.09 0.00 -0.01 0.00 0.00 54.79 54.10 2ff0 n ASP 58 Cb 0.44 0.00 0.29 0.00 -1.03 0.00 0.00 41.12 40.82 2ff0 n ASP 58 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2ff0 h LYS 59 N 0.00 0.86 0.01 0.11 1.79 -1.95 -1.33 116.57 116.06 2ff0 h LYS 59 Ca 0.00 -0.05 -0.23 0.00 -2.18 0.00 0.00 60.65 58.19 2ff0 h LYS 59 Cb 0.00 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.42 2ff0 h LYS 59 CO 0.00 0.57 -1.25 1.79 -1.08 0.00 0.00 179.45 179.48 2ff0 h THR 60 N 0.89 0.94 0.00 -0.16 1.35 -1.96 -3.39 112.91 110.58 2ff0 h THR 60 Ca 0.47 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 2ff0 h THR 60 Cb 0.55 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 2ff0 h THR 60 CO -0.23 0.35 0.00 0.00 -0.25 0.00 0.00 175.52 175.38 2ff0 n GLN 61 N -4.39 0.70 0.15 4.72 6.02 -1.19 -3.29 117.38 120.09 2ff0 n GLN 61 Ca -0.31 0.01 0.01 0.00 -0.01 0.00 0.00 57.00 56.70 2ff0 n GLN 61 Cb 0.69 -1.50 0.31 0.00 1.02 0.00 0.00 30.24 30.77 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 0.10 -0.00 -1.09 0.11 -1.43 -2.23 114.38 109.83 2ff0 h ARG 62 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2ff0 h ARG 62 Cb 0.11 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 2ff0 h ARG 62 CO 0.00 0.45 -0.71 1.63 0.10 0.00 0.00 179.97 181.44 2ff0 n LYS 63 N -4.08 0.23 0.07 0.08 5.02 -1.21 -4.43 118.16 113.85 2ff0 n LYS 63 Ca -0.02 -0.18 -0.22 0.00 -2.02 0.00 0.00 58.31 55.88 2ff0 n LYS 63 Cb 0.42 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.79 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 0.43 0.37 -3.84 1.97 3.08 -1.52 -3.42 114.38 111.45 2ff0 h ARG 64 Ca 0.00 -0.62 -0.64 0.00 0.07 0.00 0.00 59.98 58.79 2ff0 h ARG 64 Cb 0.53 0.23 -0.40 0.00 0.08 0.00 0.00 29.97 30.41 2ff0 h ARG 64 CO 0.00 1.27 -0.70 0.00 -1.07 0.00 0.00 179.97 179.48 2ff0 h PRO 66 N 7.15 0.50 -0.10 0.00 0.13 -1.82 -1.15 132.00 136.71 2ff0 h PRO 66 Ca -0.06 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2ff0 h PRO 66 Cb 0.96 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 2ff0 h PRO 66 CO 0.57 0.54 0.07 0.35 -0.23 0.00 0.00 178.00 179.30 2ff0 h PHE 67 N 0.36 0.13 -0.45 1.56 3.57 -1.89 0.69 116.94 120.91 2ff0 h PHE 67 Ca 0.10 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 2ff0 h PHE 67 Cb 0.26 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2ff0 h PHE 67 CO 0.01 0.08 0.11 0.00 -2.23 0.00 0.00 178.31 176.29 2ff0 h ARG 69 N 0.66 0.83 -0.09 0.00 2.43 -0.81 0.37 114.38 117.78 2ff0 h ARG 69 Ca 0.15 -0.50 -0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2ff0 h ARG 69 Cb 0.24 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2ff0 h ARG 69 CO -0.00 1.13 0.05 0.35 -1.51 0.00 0.00 179.97 179.99 2ff0 h PHE 70 N 0.59 0.12 -0.24 2.20 3.57 -0.43 -0.15 116.94 122.60 2ff0 h PHE 70 Ca 0.02 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 2ff0 h PHE 70 Cb 1.06 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2ff0 h PHE 70 CO 0.07 0.15 -0.10 1.96 -2.23 0.00 0.00 178.31 178.16 2ff0 h GLN 71 N 0.05 0.39 -0.41 1.11 1.08 -0.98 -2.12 115.11 114.23 2ff0 h GLN 71 Ca 0.03 -0.09 0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2ff0 h GLN 71 Cb 0.07 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 2ff0 h GLN 71 CO -0.00 0.50 0.26 -0.22 -0.95 0.00 0.00 178.83 178.41 2ff0 h LYS 72 N 0.37 0.52 -0.58 1.46 1.63 0.28 0.59 116.57 120.85 2ff0 h LYS 72 Ca 0.07 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.85 2ff0 h LYS 72 Cb 0.40 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.88 2ff0 h LYS 72 CO 0.02 0.35 0.37 0.00 -3.45 0.00 0.00 179.45 176.74 2ff0 h LEU 74 N 0.76 0.13 -0.12 0.00 3.38 -0.97 -1.41 115.31 117.08 2ff0 h LEU 74 Ca 0.22 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.13 2ff0 h LEU 74 Cb -0.06 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2ff0 h LEU 74 CO -0.06 0.66 0.02 0.74 0.09 0.00 0.00 178.44 179.89 2ff0 h THR 75 N 0.09 0.94 0.00 0.22 2.02 0.80 -1.44 112.91 115.53 2ff0 h THR 75 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2ff0 h THR 75 Cb 1.01 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2ff0 h THR 75 CO 0.08 0.01 0.00 -0.37 0.37 0.00 0.00 175.52 175.61 2ff0 h VAL 76 N 0.07 0.00 0.00 3.16 -1.51 -1.34 -3.45 116.25 113.17 2ff0 h VAL 76 Ca 0.05 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 2ff0 h VAL 76 Cb 0.05 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 2ff0 h VAL 76 CO -0.07 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.88 2ff0 n GLY 77 N -0.31 1.56 3.60 5.19 0.00 -0.54 -4.96 105.19 109.73 2ff0 n GLY 77 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.11 3.27 -0.25 1.61 1.00 -0.54 -4.63 119.30 119.66 2ff0 s MET 78 Ca 0.00 1.58 -0.29 0.00 0.00 0.00 0.00 55.69 56.98 2ff0 s MET 78 Cb 0.00 -4.24 -0.06 0.00 0.00 0.00 0.00 34.83 30.52 2ff0 s MET 78 CO 0.00 -1.93 2.22 0.54 0.00 0.00 0.00 175.02 175.85 2ff0 n ARG 79 N 8.52 1.78 0.11 2.03 5.12 -0.16 -4.52 116.66 129.54 2ff0 n ARG 79 Ca 0.25 0.48 -0.03 0.00 -1.93 0.00 0.00 57.85 56.62 2ff0 n ARG 79 Cb 0.46 -3.10 0.16 0.00 -1.16 0.00 0.00 32.46 28.83 2ff0 n ARG 79 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2ff0 h LEU 80 N 14.67 0.17 0.00 0.55 5.85 -1.91 -2.28 115.31 132.36 2ff0 h LEU 80 Ca -0.38 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2ff0 h LEU 80 Cb 1.26 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2ff0 h LEU 80 CO 0.97 0.71 0.00 -1.84 -0.34 0.00 0.00 178.44 177.94 2ff0 n GLU 81 N -3.89 0.70 0.07 1.25 0.28 -1.26 -3.34 120.64 114.46 2ff0 n GLU 81 Ca -0.02 0.01 -0.21 0.00 -0.16 0.00 0.00 57.16 56.78 2ff0 n GLU 81 Cb 0.59 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.81 2ff0 n GLU 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ff0 h ALA 82 N 3.61 0.18 -1.88 -1.84 0.00 -1.79 -3.44 119.26 114.10 2ff0 h ALA 82 Ca 0.00 -1.12 -0.57 0.00 0.00 0.00 0.00 54.91 53.22 2ff0 h ALA 82 Cb 0.10 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 2ff0 h ALA 82 CO 0.00 1.04 0.92 0.54 0.00 0.00 0.00 179.25 181.75 2ff0 s VAL 83 N -2.59 4.28 -0.46 0.00 0.11 -1.21 -4.98 120.40 115.55 2ff0 s VAL 83 Ca -0.14 1.42 -0.12 0.00 -2.93 0.00 0.00 61.98 60.22 2ff0 s VAL 83 Cb 0.06 -4.38 0.09 0.00 -1.53 0.00 0.00 36.38 30.62 2ff0 s VAL 83 CO 0.86 -0.64 0.35 -0.13 -3.33 0.00 0.00 175.10 172.20 2ff0 s ARG 84 N 4.10 2.73 0.00 1.54 0.52 -1.26 -4.94 118.95 121.64 2ff0 s ARG 84 Ca 0.50 -1.53 0.22 0.00 -0.52 0.00 0.00 55.73 54.40 2ff0 s ARG 84 Cb -0.12 -3.97 1.30 0.00 0.52 0.00 0.00 34.95 32.68 2ff0 s ARG 84 CO 0.23 -1.07 1.73 0.00 0.02 0.00 0.00 175.30 176.20 2ff0 n ALA 85 N 5.04 2.43 -1.00 2.13 0.00 -1.26 -3.90 120.51 123.95 2ff0 n ALA 85 Ca -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2ff0 n ALA 85 Cb 0.42 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2ff0 n ALA 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ff0 n ASP 86 N -0.93 0.00 -0.89 0.00 9.92 -1.26 -4.92 116.55 118.47 2ff0 n ASP 86 Ca 0.16 0.30 -0.02 0.00 -0.53 0.00 0.00 54.79 54.70 2ff0 n ASP 86 Cb 0.08 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.54 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 -0.37 0.09 -3.25 -1.24 3.00 -1.25 -5.11 116.66 108.52 2ff0 n ARG 87 Ca 0.00 -0.36 -0.44 0.00 -0.00 0.00 0.00 57.85 57.04 2ff0 n ARG 87 Cb 0.00 0.44 -0.07 0.00 0.00 0.00 0.00 32.46 32.83 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 0.01 3.06 -1.59 -0.14 -1.94 -1.25 -4.95 119.30 112.50 2ff0 s MET 88 Ca 0.01 -1.11 -0.10 0.00 -1.71 0.00 0.00 55.69 52.78 2ff0 s MET 88 Cb 0.03 -4.12 -0.08 0.00 2.01 0.00 0.00 34.83 32.67 2ff0 s MET 88 CO -0.01 -1.15 2.94 0.54 -0.01 0.00 0.00 175.02 177.32 2ff0 n ARG 89 N 5.76 3.75 0.00 2.03 1.74 -1.26 -4.68 116.66 124.01 2ff0 n ARG 89 Ca -0.09 -2.28 0.00 0.00 -0.77 0.00 0.00 57.85 54.71 2ff0 n ARG 89 Cb 0.44 -2.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.11 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 3.43 0.30 0.56 -0.13 0.00 -1.26 -5.03 105.19 103.06 2ff0 n GLY 90 Ca 0.77 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.78 3.55 -0.02 0.00 -1.26 -4.94 105.19 103.30 2ff0 n GLY 91 Ca 0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.37 3.75 0.18 1.61 3.52 -1.26 -4.41 118.95 119.96 2ff0 s ARG 92 Ca 0.00 -1.54 0.00 0.00 -0.13 0.00 0.00 55.73 54.06 2ff0 s ARG 92 Cb 0.00 -5.37 0.00 0.00 -1.56 0.00 0.00 34.95 28.02 2ff0 s ARG 92 CO 0.00 -2.17 0.00 0.27 -0.81 0.00 0.00 175.30 172.59 2ff0 n ASN 93 N 8.39 0.01 0.00 -2.12 6.94 -1.26 -4.63 115.26 122.60 2ff0 n ASN 93 Ca 0.38 0.30 0.02 0.00 -0.02 0.00 0.00 54.58 55.26 2ff0 n ASN 93 Cb 0.49 0.21 0.37 0.00 -2.36 0.00 0.00 39.78 38.48 2ff0 n ASN 93 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2ff0 h LYS 94 N 0.00 0.52 -0.70 -3.83 1.63 -2.02 -1.59 116.57 110.59 2ff0 h LYS 94 Ca 0.00 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2ff0 h LYS 94 Cb 0.05 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 2ff0 h LYS 94 CO 0.00 0.44 0.00 1.19 -3.45 0.00 0.00 179.45 177.63 2ff0 n PHE 95 N -4.39 1.08 0.05 1.91 3.72 -1.26 -4.68 117.46 113.90 2ff0 n PHE 95 Ca 0.02 -0.53 -0.09 0.00 -0.05 0.00 0.00 57.45 56.80 2ff0 n PHE 95 Cb 0.14 -0.06 -0.06 0.00 -0.94 0.00 0.00 39.48 38.57 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 4.16 -1.21 0.82 1.37 0.00 -1.54 0.94 103.07 107.61 2ff0 h GLY 96 Ca 0.00 0.61 0.02 0.00 0.00 0.00 0.00 47.33 47.97 2ff0 h GLY 96 CO 0.05 -0.35 0.10 -2.55 0.00 0.00 0.00 176.54 173.79 2ff0 h PRO 97 N -0.42 0.21 -0.12 4.80 0.11 -1.83 -2.38 132.00 132.37 2ff0 h PRO 97 Ca 0.00 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.94 2ff0 h PRO 97 Cb 0.43 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 2ff0 h PRO 97 CO -0.18 0.14 -0.58 0.00 -0.21 0.00 0.00 178.00 177.16 2ff0 h MET 98 N 0.22 0.38 -0.08 1.05 -0.00 -1.86 -1.22 114.93 113.41 2ff0 h MET 98 Ca 0.11 -0.25 -0.03 0.00 -0.00 0.00 0.00 59.70 59.53 2ff0 h MET 98 Cb 0.06 0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 31.70 2ff0 h MET 98 CO -0.10 0.85 -0.07 -0.92 -0.00 0.00 0.00 176.91 176.67 2ff0 h TYR 99 N 0.28 0.21 -0.19 -0.10 3.20 -0.72 -1.83 116.97 117.82 2ff0 h TYR 99 Ca -0.00 -0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.70 2ff0 h TYR 99 Cb 1.10 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 2ff0 h TYR 99 CO 0.03 0.61 -0.33 1.57 -1.64 0.00 0.00 178.16 178.40 2ff0 h LYS 100 N -0.24 0.40 0.56 1.82 2.10 -1.44 -1.94 116.57 117.82 2ff0 h LYS 100 Ca 0.01 -0.17 -0.03 0.00 -2.00 0.00 0.00 60.65 58.47 2ff0 h LYS 100 Cb 0.57 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.89 2ff0 h LYS 100 CO 0.02 0.69 -0.27 -0.09 -2.00 0.00 0.00 179.45 177.79 2ff0 h ARG 101 N 0.34 -0.72 -0.85 0.07 2.43 -1.14 0.11 114.38 114.62 2ff0 h ARG 101 Ca 0.04 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2ff0 h ARG 101 Cb 0.75 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.42 2ff0 h ARG 101 CO 0.06 -0.42 0.56 -0.44 -1.51 0.00 0.00 179.97 178.22 2ff0 h ASP 102 N -0.99 0.95 -0.60 -3.80 5.19 -1.36 0.29 116.42 116.11 2ff0 h ASP 102 Ca -0.08 -0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.24 2ff0 h ASP 102 Cb 0.64 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.90 2ff0 h ASP 102 CO 0.13 0.68 0.09 -0.09 -3.12 0.00 0.00 179.24 176.93 2ff0 h ARG 103 N 1.12 1.03 -0.02 3.56 2.43 -1.31 -1.29 114.38 119.90 2ff0 h ARG 103 Ca 0.32 -0.27 -0.23 0.00 -0.81 0.00 0.00 59.98 58.99 2ff0 h ARG 103 Cb -0.08 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2ff0 h ARG 103 CO -0.09 0.95 -0.94 0.00 -1.51 0.00 0.00 179.97 178.39 2ff0 h ALA 104 N 1.13 0.31 -0.64 2.80 0.00 -0.10 -2.94 119.26 119.83 2ff0 h ALA 104 Ca 0.19 -0.69 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 2ff0 h ALA 104 Cb 0.43 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2ff0 h ALA 104 CO 0.01 0.76 0.20 -0.07 0.00 0.00 0.00 179.25 180.15 2ff0 h LEU 105 N 0.31 0.90 -1.35 0.00 3.38 -0.27 0.21 115.31 118.49 2ff0 h LEU 105 Ca -0.09 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2ff0 h LEU 105 Cb 1.57 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 2ff0 h LEU 105 CO 0.17 0.85 -0.32 0.50 0.09 0.00 0.00 178.44 179.73 2ff0 h LYS 106 N 0.94 0.00 0.00 1.13 3.64 -1.24 -3.30 116.57 117.74 2ff0 h LYS 106 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2ff0 h LYS 106 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2ff0 h LYS 106 CO -0.01 0.32 -0.00 1.96 -2.27 0.00 0.00 179.45 179.45 2ff0 h GLN 107 N 0.00 0.00 -4.93 1.90 4.20 -1.15 -3.47 115.11 111.65 2ff0 h GLN 107 Ca -0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 2ff0 h GLN 107 Cb 0.59 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2ff0 h GLN 107 CO 0.04 0.00 -0.56 1.04 -0.67 0.00 0.00 178.83 178.68 2ff0 n GLN 108 N -3.12 -3.93 0.09 1.46 1.13 0.65 -4.87 117.38 108.80 2ff0 n GLN 108 Ca -0.00 0.67 0.01 0.00 -1.94 0.00 0.00 57.00 55.74 2ff0 n GLN 108 Cb 0.00 -5.43 -0.03 0.00 0.11 0.00 0.00 30.24 24.89 2ff0 n GLN 108 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2ff0 h LYS 109 N -1.07 0.00 -5.98 -1.09 3.64 -1.92 -3.42 116.57 106.73 2ff0 h LYS 109 Ca -0.46 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.41 2ff0 h LYS 109 Cb 1.32 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 2ff0 h LYS 109 CO 0.54 0.44 1.39 0.15 -2.27 0.00 0.00 179.45 179.69 2ff0 s LYS 110 N -2.94 2.69 0.00 1.90 -0.14 -1.26 -5.28 119.74 114.71 2ff0 s LYS 110 Ca 0.01 0.93 0.00 0.00 -1.36 0.00 0.00 55.97 55.55 2ff0 s LYS 110 Cb 0.08 -4.38 0.00 0.00 -1.68 0.00 0.00 37.83 31.85 2ff0 s LYS 110 CO 0.78 -2.63 0.20 0.00 -0.76 0.00 0.00 175.35 172.93