#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 0.96 -0.12 -0.67 2.02 -1.26 -5.14 118.70 114.49 2ff0 s GLU 11 Ca 0.00 -1.10 -0.03 0.00 0.02 0.00 0.00 54.97 53.87 2ff0 s GLU 11 Cb 0.00 -1.00 -0.03 0.00 0.10 0.00 0.00 34.13 33.19 2ff0 s GLU 11 CO 0.00 0.22 -0.02 -0.51 0.02 0.00 0.00 175.26 174.97 2ff0 s LEU 12 N -2.00 3.43 -0.17 1.80 1.43 -1.26 -3.74 118.68 118.17 2ff0 s LEU 12 Ca 0.03 0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 2ff0 s LEU 12 Cb -0.09 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 2ff0 s LEU 12 CO 0.03 0.28 1.82 0.00 0.23 0.00 0.00 176.35 178.71 2ff0 n PRO 14 N 7.87 0.14 -0.05 0.00 -0.04 -1.26 0.04 135.00 141.69 2ff0 n PRO 14 Ca 0.21 0.61 -0.02 0.00 -0.04 0.00 0.00 63.50 64.26 2ff0 n PRO 14 Cb 0.44 -1.94 -0.01 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.00 0.00 0.52 2.07 -1.89 -3.42 116.25 113.53 2ff0 h VAL 15 Ca 0.00 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2ff0 h VAL 15 Cb 0.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 2ff0 h VAL 15 CO 0.00 0.00 -1.35 0.00 0.02 0.00 0.00 177.57 176.24 2ff0 n GLY 17 N 1.32 -0.16 0.12 0.00 0.00 0.11 -2.79 105.19 103.78 2ff0 n GLY 17 Ca -0.00 0.16 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 2ff0 n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ff0 n ASP 18 N -2.34 -0.07 -4.52 1.61 -0.08 -1.25 -4.42 116.55 105.47 2ff0 n ASP 18 Ca -0.03 -1.05 -0.31 0.00 -1.51 0.00 0.00 54.79 51.89 2ff0 n ASP 18 Cb 0.56 0.12 0.18 0.00 2.34 0.00 0.00 41.12 44.32 2ff0 n ASP 18 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ff0 n LYS 19 N -0.02 -1.06 -4.28 -0.67 4.76 -1.26 0.30 118.16 115.93 2ff0 n LYS 19 Ca -0.00 -0.26 -0.19 0.00 -2.87 0.00 0.00 58.31 54.99 2ff0 n LYS 19 Cb 0.02 -2.14 -0.11 0.00 -1.84 0.00 0.00 35.03 30.96 2ff0 n LYS 19 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2ff0 s VAL 20 N -2.48 1.51 -1.78 -0.18 -7.23 -1.25 -4.26 120.40 104.73 2ff0 s VAL 20 Ca 0.64 -1.84 0.26 0.00 -1.81 0.00 0.00 61.98 59.23 2ff0 s VAL 20 Cb -0.22 -1.69 0.20 0.00 0.56 0.00 0.00 36.38 35.23 2ff0 s VAL 20 CO 0.63 -0.42 1.46 -1.20 -0.31 0.00 0.00 175.10 175.26 2ff0 n SER 21 N 0.34 1.21 0.00 4.85 7.64 -0.01 -4.87 113.62 122.78 2ff0 n SER 21 Ca -0.14 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.74 2ff0 n SER 21 Cb 0.57 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 64.00 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 1.36 0.33 3.58 0.23 0.00 -1.24 -4.96 105.19 104.50 2ff0 n GLY 22 Ca 0.11 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 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 0.00 1.90 -0.15 1.61 2.02 -1.26 -2.30 117.35 119.17 2ff0 s TYR 23 Ca 0.00 0.67 -0.03 0.00 -0.37 0.00 0.00 57.07 57.34 2ff0 s TYR 23 Cb 0.00 -4.17 0.05 0.00 -0.40 0.00 0.00 41.96 37.44 2ff0 s TYR 23 CO 0.00 -2.48 0.04 -1.58 -1.57 0.00 0.00 175.55 169.96 2ff0 s HIS 24 N 7.29 0.68 -0.94 2.71 2.46 0.21 -4.75 115.29 122.95 2ff0 s HIS 24 Ca 0.70 -0.50 0.00 0.00 0.47 0.00 0.00 55.06 55.73 2ff0 s HIS 24 Cb -0.17 -0.86 0.00 0.00 -0.13 0.00 0.00 32.58 31.42 2ff0 s HIS 24 CO 0.28 -0.50 0.00 0.66 -2.47 0.00 0.00 174.74 172.72 2ff0 n TYR 25 N 5.14 -0.03 0.00 3.88 4.01 -1.26 -2.60 117.16 126.31 2ff0 n TYR 25 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2ff0 n TYR 25 Cb 0.48 -1.82 0.00 0.00 -0.31 0.00 0.00 39.34 37.70 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 -1.83 2.07 3.62 2.72 0.00 -1.26 -3.81 105.19 106.70 2ff0 n GLY 26 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 3.06 -0.90 0.99 1.43 -1.07 -5.04 118.68 117.15 2ff0 s LEU 27 Ca 0.00 -0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 52.08 2ff0 s LEU 27 Cb 0.00 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.71 2ff0 s LEU 27 CO 0.00 -0.06 1.37 -0.76 0.23 0.00 0.00 176.35 177.13 2ff0 s LEU 28 N -3.67 3.41 0.21 1.79 2.01 -1.26 0.63 118.68 121.81 2ff0 s LEU 28 Ca 0.32 -1.06 0.08 0.00 0.01 0.00 0.00 54.13 53.48 2ff0 s LEU 28 Cb -0.05 -2.56 -0.05 0.00 0.01 0.00 0.00 46.19 43.54 2ff0 s LEU 28 CO 0.19 -1.63 -0.14 0.42 1.01 0.00 0.00 176.35 176.20 2ff0 s THR 29 N 5.22 1.77 0.46 5.49 -4.23 -0.97 -4.10 115.64 119.27 2ff0 s THR 29 Ca 0.41 -2.22 0.07 0.00 -1.18 0.00 0.00 61.69 58.78 2ff0 s THR 29 Cb -0.04 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.73 2ff0 s THR 29 CO 0.00 -0.57 0.44 0.00 -0.54 0.00 0.00 174.62 173.95 2ff0 h GLU 31 N 0.86 0.78 -0.71 0.00 9.09 -1.94 -0.41 114.58 122.25 2ff0 h GLU 31 Ca -0.39 -0.20 -0.00 0.00 0.05 0.00 0.00 59.36 58.81 2ff0 h GLU 31 Cb 1.28 -0.09 -0.03 0.00 -1.65 0.00 0.00 28.75 28.25 2ff0 h GLU 31 CO 0.55 0.78 0.42 0.77 0.05 0.00 0.00 179.01 181.58 2ff0 h SER 32 N 0.73 0.86 -0.00 3.06 0.02 -1.97 -0.11 113.55 116.13 2ff0 h SER 32 Ca 0.14 -0.07 -0.20 0.00 -0.84 0.00 0.00 61.79 60.83 2ff0 h SER 32 Cb 0.43 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 62.77 2ff0 h SER 32 CO 0.02 0.67 -0.76 0.00 -1.14 0.00 0.00 176.83 175.62 2ff0 h LYS 34 N 0.09 0.75 0.43 0.00 2.10 -0.99 0.13 116.57 119.08 2ff0 h LYS 34 Ca -0.09 -0.10 -0.02 0.00 -2.00 0.00 0.00 60.65 58.43 2ff0 h LYS 34 Cb 1.45 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2ff0 h LYS 34 CO 0.15 0.61 -0.21 0.78 -2.00 0.00 0.00 179.45 178.78 2ff0 h GLY 35 N 0.87 -0.60 1.11 0.07 0.00 -1.00 -2.11 103.07 101.41 2ff0 h GLY 35 Ca 0.18 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.76 2ff0 h GLY 35 CO -0.02 -0.22 0.57 -2.75 0.00 0.00 0.00 176.54 174.12 2ff0 h PHE 36 N -0.76 1.07 0.20 5.60 3.57 -1.14 -0.22 116.94 125.26 2ff0 h PHE 36 Ca -0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2ff0 h PHE 36 Cb 0.53 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2ff0 h PHE 36 CO -0.01 0.66 -0.12 0.35 -2.23 0.00 0.00 178.31 176.96 2ff0 h PHE 37 N 1.14 -0.31 -0.54 0.41 3.57 -0.68 -1.17 116.94 119.36 2ff0 h PHE 37 Ca 0.33 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.74 2ff0 h PHE 37 Cb -0.08 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2ff0 h PHE 37 CO -0.00 -0.19 -0.01 0.87 -2.23 0.00 0.00 178.31 176.75 2ff0 h LYS 38 N -0.31 0.93 -0.61 1.11 1.57 -1.07 -2.04 116.57 116.15 2ff0 h LYS 38 Ca -0.02 -0.28 0.07 0.00 -1.87 0.00 0.00 60.65 58.55 2ff0 h LYS 38 Cb 0.25 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 2ff0 h LYS 38 CO 0.02 0.92 0.30 0.00 -0.57 0.00 0.00 179.45 180.13 2ff0 h ARG 39 N 0.85 0.53 0.08 3.15 3.08 -0.74 0.40 114.38 121.74 2ff0 h ARG 39 Ca 0.16 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 2ff0 h ARG 39 Cb 0.52 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2ff0 h ARG 39 CO 0.03 0.35 -0.04 1.15 -1.07 0.00 0.00 179.97 180.39 2ff0 h THR 40 N 0.55 1.11 -0.02 2.04 2.02 -0.98 -2.53 112.91 115.10 2ff0 h THR 40 Ca 0.29 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 2ff0 h THR 40 Cb 0.24 1.57 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2ff0 h THR 40 CO -0.22 0.18 0.00 0.58 0.37 0.00 0.00 175.52 176.43 2ff0 h VAL 41 N -0.44 1.20 0.00 3.16 2.07 -1.06 0.26 116.25 121.44 2ff0 h VAL 41 Ca -0.01 -0.59 -0.11 0.00 0.82 0.00 0.00 66.70 66.81 2ff0 h VAL 41 Cb 0.38 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2ff0 h VAL 41 CO 0.02 0.16 -0.52 1.56 0.02 0.00 0.00 177.57 178.80 2ff0 h GLN 42 N -0.20 0.00 -0.07 1.57 4.20 -0.31 -1.30 115.11 119.00 2ff0 h GLN 42 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2ff0 h GLN 42 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2ff0 h GLN 42 CO 0.00 0.52 0.00 0.09 -0.67 0.00 0.00 178.83 178.77 2ff0 n ASN 43 N -3.86 1.26 -3.56 1.46 3.02 -0.95 -4.90 115.26 107.73 2ff0 n ASN 43 Ca -0.01 -1.51 -0.24 0.00 -0.03 0.00 0.00 54.58 52.79 2ff0 n ASN 43 Cb 0.54 -0.04 0.07 0.00 -0.61 0.00 0.00 39.78 39.75 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 0.01 -6.28 -4.88 6.41 5.03 -0.49 -4.96 115.26 110.10 2ff0 n ASN 44 Ca 0.18 -0.53 -0.32 0.00 0.87 0.00 0.00 54.58 54.78 2ff0 n ASN 44 Cb 0.29 -4.96 -0.05 0.00 -1.02 0.00 0.00 39.78 34.04 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 -6.28 3.77 -0.33 3.52 1.02 0.87 -5.03 119.74 117.29 2ff0 s LYS 45 Ca 0.57 0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.79 2ff0 s LYS 45 Cb -0.25 -2.67 0.14 0.00 -0.52 0.00 0.00 37.83 34.53 2ff0 s LYS 45 CO 0.70 0.32 0.29 -3.38 -0.92 0.00 0.00 175.35 172.37 2ff0 s HIS 46 N -1.82 -0.07 0.98 3.18 -3.43 -1.26 -4.68 115.29 108.19 2ff0 s HIS 46 Ca 0.47 -0.80 -0.12 0.00 -0.80 0.00 0.00 55.06 53.80 2ff0 s HIS 46 Cb -0.11 -0.58 0.18 0.00 -1.43 0.00 0.00 32.58 30.64 2ff0 s HIS 46 CO 0.22 -0.91 1.10 0.71 -2.00 0.00 0.00 174.74 173.86 2ff0 s TYR 47 N 1.71 2.18 0.43 0.38 2.02 -1.26 -5.08 117.35 117.73 2ff0 s TYR 47 Ca 0.14 0.97 0.06 0.00 -0.37 0.00 0.00 57.07 57.87 2ff0 s TYR 47 Cb -0.16 -3.28 -0.07 0.00 -0.40 0.00 0.00 41.96 38.05 2ff0 s TYR 47 CO -0.15 -2.79 0.03 0.95 -1.57 0.00 0.00 175.55 172.02 2ff0 s THR 48 N -3.02 1.90 0.00 -0.71 -4.23 -1.26 -4.71 115.64 103.61 2ff0 s THR 48 Ca 0.65 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 2ff0 s THR 48 Cb -0.18 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2ff0 s THR 48 CO 0.57 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.65 2ff0 n THR 50 N -2.95 0.00 0.27 0.00 -1.04 -1.26 -4.62 114.28 104.68 2ff0 n THR 50 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 2ff0 n THR 50 Cb 0.47 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.89 2ff0 n THR 50 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2ff0 h GLU 51 N 0.00 -0.62 0.00 -2.82 4.39 -2.01 -3.45 114.58 110.07 2ff0 h GLU 51 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2ff0 h GLU 51 Cb 0.00 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2ff0 h GLU 51 CO 0.00 -0.39 0.00 0.45 -1.16 0.00 0.00 179.01 177.91 2ff0 n SER 52 N -5.35 0.00 0.00 1.42 2.88 -1.26 -5.04 113.62 106.27 2ff0 n SER 52 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2ff0 n SER 52 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.33 0.00 -2.15 -1.46 6.02 -1.26 -4.75 117.38 113.44 2ff0 n GLN 53 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2ff0 n GLN 53 Cb 0.00 -0.01 0.00 0.00 1.02 0.00 0.00 30.24 31.25 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 2.43 5.57 -4.91 1.08 2.88 -1.26 -4.69 113.62 114.72 2ff0 n SER 54 Ca 0.00 -3.06 -0.28 0.00 -1.33 0.00 0.00 58.87 54.20 2ff0 n SER 54 Cb 0.00 -1.48 -0.03 0.00 -0.75 0.00 0.00 64.21 61.95 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 -3.66 3.87 -0.55 0.00 1.02 -1.26 -4.94 119.74 114.22 2ff0 s LYS 56 Ca 0.43 -1.89 -0.26 0.00 0.02 0.00 0.00 55.97 54.27 2ff0 s LYS 56 Cb -0.11 -5.31 -0.05 0.00 -0.52 0.00 0.00 37.83 31.84 2ff0 s LYS 56 CO 0.31 -2.08 2.19 0.42 -0.92 0.00 0.00 175.35 175.27 2ff0 s ILE 57 N 3.62 3.15 0.00 2.17 -1.09 -1.26 -4.45 121.20 123.34 2ff0 s ILE 57 Ca 0.47 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.96 2ff0 s ILE 57 Cb 0.00 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.49 2ff0 s ILE 57 CO -0.00 -0.38 0.00 -0.90 -1.23 0.00 0.00 174.94 172.42 2ff0 n ASP 58 N 14.71 1.43 -0.08 3.58 5.75 -1.26 -4.72 116.55 135.95 2ff0 n ASP 58 Ca 0.30 -0.17 0.07 0.00 -0.01 0.00 0.00 54.79 54.98 2ff0 n ASP 58 Cb 0.53 0.00 0.42 0.00 -1.03 0.00 0.00 41.12 41.05 2ff0 n ASP 58 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2ff0 h LYS 59 N 0.00 0.57 0.00 0.11 3.64 -1.73 -1.71 116.57 117.45 2ff0 h LYS 59 Ca 0.00 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.14 2ff0 h LYS 59 Cb 0.00 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 2ff0 h LYS 59 CO 0.00 0.38 -1.13 1.79 -2.27 0.00 0.00 179.45 178.21 2ff0 h THR 60 N 0.58 1.00 0.00 1.00 1.35 -1.91 -3.39 112.91 111.54 2ff0 h THR 60 Ca 0.24 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 2ff0 h THR 60 Cb 0.21 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 2ff0 h THR 60 CO -0.07 0.34 0.00 0.00 -0.25 0.00 0.00 175.52 175.54 2ff0 n GLN 61 N -4.45 0.05 0.27 4.72 6.02 -1.22 -3.28 117.38 119.50 2ff0 n GLN 61 Ca -0.30 0.09 0.13 0.00 -0.01 0.00 0.00 57.00 56.91 2ff0 n GLN 61 Cb 0.66 -1.57 0.78 0.00 1.02 0.00 0.00 30.24 31.13 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 0.00 -0.00 -1.09 0.11 -1.50 -0.90 114.38 110.99 2ff0 h ARG 62 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2ff0 h ARG 62 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 2ff0 h ARG 62 CO 0.00 0.08 -0.77 0.36 0.10 0.00 0.00 179.97 179.74 2ff0 n LYS 63 N -3.75 0.18 0.05 0.08 2.85 -1.20 -4.35 118.16 112.01 2ff0 n LYS 63 Ca -0.02 -0.13 -0.13 0.00 -1.05 0.00 0.00 58.31 56.97 2ff0 n LYS 63 Cb 0.19 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.93 2ff0 n LYS 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ff0 h ARG 64 N 0.33 0.15 -3.52 -1.58 3.08 -1.31 -3.43 114.38 108.11 2ff0 h ARG 64 Ca 0.00 -0.26 -0.57 0.00 0.07 0.00 0.00 59.98 59.22 2ff0 h ARG 64 Cb 0.53 0.10 -0.40 0.00 0.08 0.00 0.00 29.97 30.28 2ff0 h ARG 64 CO 0.00 0.98 -0.76 0.00 -1.07 0.00 0.00 179.97 179.12 2ff0 h PRO 66 N 8.13 1.25 0.10 0.00 0.11 -1.83 0.02 132.00 139.77 2ff0 h PRO 66 Ca -0.15 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 2ff0 h PRO 66 Cb 1.03 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 2ff0 h PRO 66 CO 0.45 0.85 -0.06 0.35 -0.21 0.00 0.00 178.00 179.38 2ff0 h PHE 67 N 1.28 -0.16 -0.35 0.65 3.57 -1.84 0.19 116.94 120.28 2ff0 h PHE 67 Ca 0.34 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.77 2ff0 h PHE 67 Cb -0.10 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2ff0 h PHE 67 CO -0.00 -0.10 -0.09 0.00 -2.23 0.00 0.00 178.31 175.89 2ff0 h ARG 69 N 0.54 0.80 0.29 0.00 2.43 -0.79 0.18 114.38 117.84 2ff0 h ARG 69 Ca 0.10 -0.37 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 2ff0 h ARG 69 Cb 0.48 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2ff0 h ARG 69 CO 0.03 1.00 -0.14 0.35 -1.51 0.00 0.00 179.97 179.69 2ff0 h PHE 70 N 0.68 -0.37 0.00 2.20 3.57 -0.35 -1.43 116.94 121.24 2ff0 h PHE 70 Ca 0.08 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2ff0 h PHE 70 Cb 0.85 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 2ff0 h PHE 70 CO 0.05 -0.12 -0.07 1.96 -2.23 0.00 0.00 178.31 177.90 2ff0 h GLN 71 N -0.57 0.00 -0.48 1.11 1.08 -0.92 -0.75 115.11 114.58 2ff0 h GLN 71 Ca -0.04 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 2ff0 h GLN 71 Cb 0.42 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 2ff0 h GLN 71 CO 0.07 0.07 0.18 -0.22 -0.95 0.00 0.00 178.83 177.98 2ff0 h LYS 72 N 0.00 0.73 -0.18 1.46 1.63 -0.28 0.45 116.57 120.37 2ff0 h LYS 72 Ca -0.00 -0.14 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 2ff0 h LYS 72 Cb 0.15 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 2ff0 h LYS 72 CO 0.01 0.67 0.09 0.00 -3.45 0.00 0.00 179.45 176.77 2ff0 h LEU 74 N 0.19 1.09 -0.32 0.00 4.07 -1.16 0.41 115.31 119.59 2ff0 h LEU 74 Ca 0.07 -0.12 0.06 0.00 0.08 0.00 0.00 57.88 57.97 2ff0 h LEU 74 Cb 0.02 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.42 2ff0 h LEU 74 CO -0.05 0.90 -0.02 0.74 -1.08 0.00 0.00 178.44 178.93 2ff0 h THR 75 N 1.20 0.74 0.00 0.22 2.02 0.30 -0.01 112.91 117.39 2ff0 h THR 75 Ca 0.30 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.45 2ff0 h THR 75 Cb 0.08 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2ff0 h THR 75 CO -0.04 0.01 0.00 1.33 0.37 0.00 0.00 175.52 177.19 2ff0 n VAL 76 N -5.20 0.09 -0.90 3.16 0.24 -0.82 -4.89 118.33 110.01 2ff0 n VAL 76 Ca 0.01 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 2ff0 n VAL 76 Cb 0.17 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 31.98 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 1.11 0.91 3.75 7.63 0.00 -0.02 -5.02 105.19 113.56 2ff0 n GLY 77 Ca 0.13 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.70 4.35 -0.27 1.61 1.00 0.05 -4.85 119.30 119.48 2ff0 s MET 78 Ca 0.00 2.19 -0.29 0.00 0.00 0.00 0.00 55.69 57.59 2ff0 s MET 78 Cb 0.00 -3.11 -0.01 0.00 0.00 0.00 0.00 34.83 31.71 2ff0 s MET 78 CO 0.00 -0.26 1.39 1.03 0.00 0.00 0.00 175.02 177.19 2ff0 s ARG 79 N -1.00 3.89 0.26 2.03 1.81 -1.25 -4.73 118.95 119.97 2ff0 s ARG 79 Ca 0.53 1.38 0.09 0.00 -1.72 0.00 0.00 55.73 56.02 2ff0 s ARG 79 Cb -0.39 -3.92 0.31 0.00 -0.45 0.00 0.00 34.95 30.50 2ff0 s ARG 79 CO 0.46 -1.16 1.59 -0.07 -0.68 0.00 0.00 175.30 175.45 2ff0 h LEU 80 N 11.07 0.05 0.00 2.53 -0.00 -1.95 -3.07 115.31 123.94 2ff0 h LEU 80 Ca -0.28 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 2ff0 h LEU 80 Cb 1.11 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 2ff0 h LEU 80 CO 1.02 0.67 -0.18 -1.84 -0.00 0.00 0.00 178.44 178.11 2ff0 n GLU 81 N -3.80 0.16 0.22 1.13 0.00 -1.26 -3.30 120.64 113.80 2ff0 n GLU 81 Ca -0.01 0.10 0.13 0.00 0.00 0.00 0.00 57.16 57.38 2ff0 n GLU 81 Cb 0.63 -1.66 0.26 0.00 0.00 0.00 0.00 31.44 30.68 2ff0 n GLU 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ff0 h ALA 82 N 2.72 1.00 -1.67 -1.84 0.00 -1.94 -3.44 119.26 114.09 2ff0 h ALA 82 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 2ff0 h ALA 82 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2ff0 h ALA 82 CO 0.00 0.00 1.49 0.28 0.00 0.00 0.00 179.25 181.02 2ff0 n VAL 83 N -3.07 0.27 -2.30 0.00 0.31 -1.21 -4.84 118.33 107.49 2ff0 n VAL 83 Ca 0.04 -0.42 -0.41 0.00 -0.01 0.00 0.00 64.34 63.54 2ff0 n VAL 83 Cb 0.49 -2.29 -0.01 0.00 -0.91 0.00 0.00 33.84 31.11 2ff0 n VAL 83 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2ff0 n ARG 84 N 8.62 2.85 0.00 5.55 5.12 -1.26 -4.64 116.66 132.90 2ff0 n ARG 84 Ca 0.34 -2.99 0.13 0.00 -1.93 0.00 0.00 57.85 53.40 2ff0 n ARG 84 Cb 0.39 -3.47 0.74 0.00 -1.16 0.00 0.00 32.46 28.96 2ff0 n ARG 84 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ff0 n ALA 85 N 8.78 2.43 1.96 7.54 0.00 -1.26 -3.12 120.51 136.84 2ff0 n ALA 85 Ca 0.49 -0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.91 2ff0 n ALA 85 Cb 0.45 -1.44 0.77 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.15 0.00 -0.82 0.00 9.92 -1.26 -4.85 116.55 118.38 2ff0 n ASP 86 Ca 0.17 -1.15 -0.11 0.00 -0.53 0.00 0.00 54.79 53.17 2ff0 n ASP 86 Cb 0.16 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.59 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 -0.91 -1.06 -3.49 -1.24 3.00 -1.18 -4.97 116.66 106.81 2ff0 n ARG 87 Ca 0.19 0.84 -0.39 0.00 -0.00 0.00 0.00 57.85 58.49 2ff0 n ARG 87 Cb 0.09 -4.91 -0.10 0.00 0.00 0.00 0.00 32.46 27.53 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 -2.76 3.76 -1.58 -0.14 -1.94 -1.26 -4.98 119.30 110.40 2ff0 s MET 88 Ca 0.00 -0.35 -0.10 0.00 -1.71 0.00 0.00 55.69 53.53 2ff0 s MET 88 Cb 0.00 -3.73 -0.09 0.00 2.01 0.00 0.00 34.83 33.02 2ff0 s MET 88 CO 0.00 -0.34 2.97 0.54 -0.01 0.00 0.00 175.02 178.18 2ff0 n ARG 89 N 5.20 3.65 0.00 2.03 3.00 -1.26 -4.66 116.66 124.62 2ff0 n ARG 89 Ca -0.11 -2.16 0.00 0.00 -0.01 0.00 0.00 57.85 55.57 2ff0 n ARG 89 Cb 0.51 -2.78 0.00 0.00 0.00 0.00 0.00 32.46 30.19 2ff0 n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ff0 n GLY 90 N 3.56 -0.32 1.39 -0.13 0.00 -1.26 -5.02 105.19 103.40 2ff0 n GLY 90 Ca 0.78 0.42 0.00 0.00 0.00 0.00 0.00 46.02 47.22 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 0.76 3.57 -0.02 0.00 -1.26 -4.93 105.19 103.30 2ff0 n GLY 91 Ca 0.00 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.48 3.42 0.00 1.61 3.52 -1.26 -3.80 118.95 119.96 2ff0 s ARG 92 Ca 0.00 -1.21 0.00 0.00 -0.13 0.00 0.00 55.73 54.39 2ff0 s ARG 92 Cb 0.00 -5.35 0.00 0.00 -1.56 0.00 0.00 34.95 28.04 2ff0 s ARG 92 CO 0.00 -2.58 0.00 0.27 -0.81 0.00 0.00 175.30 172.18 2ff0 n ASN 93 N 10.11 0.00 -0.20 -2.12 0.23 -1.26 -4.83 115.26 117.19 2ff0 n ASN 93 Ca 0.39 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.39 2ff0 n ASN 93 Cb 0.49 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.23 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 0.71 -0.68 -3.83 1.79 -2.01 -2.29 116.57 110.26 2ff0 h LYS 94 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2ff0 h LYS 94 Cb 0.00 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.49 2ff0 h LYS 94 CO 0.00 0.47 0.00 1.19 -1.08 0.00 0.00 179.45 180.03 2ff0 n PHE 95 N -4.73 1.13 0.02 -1.35 3.72 -1.26 -4.54 117.46 110.45 2ff0 n PHE 95 Ca 0.04 -0.54 -0.10 0.00 -0.05 0.00 0.00 57.45 56.80 2ff0 n PHE 95 Cb 0.05 -0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.46 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 4.05 -0.07 0.47 1.37 0.00 -1.73 0.30 103.07 107.46 2ff0 h GLY 96 Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.52 2ff0 h GLY 96 CO 0.08 -0.13 -0.11 -2.55 0.00 0.00 0.00 176.54 173.84 2ff0 h PRO 97 N -0.16 -0.10 -0.01 4.80 0.11 -1.80 -1.92 132.00 132.92 2ff0 h PRO 97 Ca 0.07 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.07 2ff0 h PRO 97 Cb 0.26 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 2ff0 h PRO 97 CO -0.18 -0.07 -0.54 0.00 -0.21 0.00 0.00 178.00 177.00 2ff0 h MET 98 N -0.11 0.04 0.62 1.05 -0.00 -1.86 -1.37 114.93 113.31 2ff0 h MET 98 Ca 0.11 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.70 59.75 2ff0 h MET 98 Cb 0.27 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.87 2ff0 h MET 98 CO -0.25 0.57 -0.30 1.88 -0.00 0.00 0.00 176.91 178.81 2ff0 h TYR 99 N 0.03 -0.77 -0.44 -0.10 -1.99 -0.47 -0.28 116.97 112.95 2ff0 h TYR 99 Ca -0.00 -0.02 -0.13 0.00 2.00 0.00 0.00 58.73 60.58 2ff0 h TYR 99 Cb 0.97 0.26 -0.01 0.00 2.00 0.00 0.00 36.73 39.94 2ff0 h TYR 99 CO 0.00 -0.46 -0.25 1.57 -0.00 0.00 0.00 178.16 179.02 2ff0 h LYS 100 N -0.88 0.92 0.47 4.88 2.10 -1.35 -1.93 116.57 120.78 2ff0 h LYS 100 Ca -0.09 -0.40 -0.02 0.00 -2.00 0.00 0.00 60.65 58.14 2ff0 h LYS 100 Cb 0.65 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2ff0 h LYS 100 CO 0.14 1.06 -0.22 -0.09 -2.00 0.00 0.00 179.45 178.33 2ff0 h ARG 101 N 0.79 -0.60 -0.18 0.07 2.43 -1.22 -0.48 114.38 115.19 2ff0 h ARG 101 Ca 0.10 0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.20 2ff0 h ARG 101 Cb 0.81 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 2ff0 h ARG 101 CO 0.07 -0.30 -0.36 -0.44 -1.51 0.00 0.00 179.97 177.43 2ff0 h ASP 102 N -0.91 0.39 -0.54 -3.80 5.19 -1.12 -1.25 116.42 114.38 2ff0 h ASP 102 Ca -0.06 -0.16 -0.08 0.00 -0.62 0.00 0.00 57.03 56.11 2ff0 h ASP 102 Cb 0.58 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 2ff0 h ASP 102 CO 0.11 0.73 0.04 -0.09 -3.12 0.00 0.00 179.24 176.90 2ff0 h ARG 103 N 0.33 0.92 -0.37 3.56 2.43 -1.36 -1.10 114.38 118.79 2ff0 h ARG 103 Ca 0.04 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 2ff0 h ARG 103 Cb 0.78 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 2ff0 h ARG 103 CO 0.06 0.92 0.07 0.00 -1.51 0.00 0.00 179.97 179.51 2ff0 h ALA 104 N 0.97 1.44 -0.26 2.80 0.00 -0.57 0.29 119.26 123.93 2ff0 h ALA 104 Ca 0.16 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2ff0 h ALA 104 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2ff0 h ALA 104 CO 0.02 0.41 -0.44 -0.07 0.00 0.00 0.00 179.25 179.16 2ff0 h LEU 105 N 0.53 0.71 -0.22 0.00 3.38 -0.93 0.34 115.31 119.12 2ff0 h LEU 105 Ca 0.12 -0.34 -0.22 0.00 0.09 0.00 0.00 57.88 57.54 2ff0 h LEU 105 Cb 0.23 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2ff0 h LEU 105 CO -0.00 1.05 -0.84 0.50 0.09 0.00 0.00 178.44 179.24 2ff0 h LYS 106 N 0.53 0.56 -0.57 1.13 3.64 -0.48 -3.12 116.57 118.26 2ff0 h LYS 106 Ca 0.04 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2ff0 h LYS 106 Cb 0.98 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2ff0 h LYS 106 CO 0.09 1.14 0.00 1.04 -2.27 0.00 0.00 179.45 179.45 2ff0 n GLN 107 N -3.84 2.46 0.00 1.90 1.13 0.96 -4.55 117.38 115.44 2ff0 n GLN 107 Ca -0.07 -2.02 0.00 0.00 -1.94 0.00 0.00 57.00 52.97 2ff0 n GLN 107 Cb 0.78 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.62 2ff0 n GLN 107 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2ff0 n GLN 108 N 1.04 0.00 -3.26 -1.09 -0.06 0.10 -4.94 117.38 109.17 2ff0 n GLN 108 Ca 0.19 0.37 0.03 0.00 -2.00 0.00 0.00 57.00 55.59 2ff0 n GLN 108 Cb 0.52 -1.30 -0.03 0.00 -4.06 0.00 0.00 30.24 25.37 2ff0 n GLN 108 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2ff0 s LYS 109 N -2.23 0.16 -1.21 3.69 2.47 -1.26 -5.08 119.74 116.28 2ff0 s LYS 109 Ca 0.00 0.39 -0.19 0.00 -1.56 0.00 0.00 55.97 54.60 2ff0 s LYS 109 Cb 0.00 0.23 0.07 0.00 -1.46 0.00 0.00 37.83 36.67 2ff0 s LYS 109 CO 0.00 -0.08 1.64 0.21 0.16 0.00 0.00 175.35 177.28 2ff0 s LYS 110 N 2.41 3.88 0.00 4.03 2.20 -1.26 -5.11 119.74 125.89 2ff0 s LYS 110 Ca -0.01 -1.76 0.00 0.00 -0.36 0.00 0.00 55.97 53.83 2ff0 s LYS 110 Cb -0.05 -5.47 0.00 0.00 -1.51 0.00 0.00 37.83 30.80 2ff0 s LYS 110 CO -0.15 -2.23 0.00 0.00 -0.36 0.00 0.00 175.35 172.61