#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2l n THR 6 N 0.00 0.00 -1.55 2.52 -1.04 -1.26 -5.16 114.28 107.79 1f2l n THR 6 Ca 0.00 -0.94 -0.31 0.00 -2.04 0.00 0.00 64.05 60.76 1f2l n THR 6 Cb 0.00 0.96 0.05 0.00 -1.82 0.00 0.00 70.33 69.52 1f2l n THR 6 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1f2l s LYS 7 N -2.08 2.88 -0.37 -2.82 -0.14 -1.26 -4.56 119.74 111.40 1f2l s LYS 7 Ca 0.16 0.98 -0.23 0.00 -1.36 0.00 0.00 55.97 55.53 1f2l s LYS 7 Cb -0.05 -1.98 0.01 0.00 -1.68 0.00 0.00 37.83 34.13 1f2l s LYS 7 CO 0.11 -1.14 0.77 0.00 -0.76 0.00 0.00 175.35 174.33 1f2l n ASN 9 N 6.40 0.00 -4.77 0.00 0.23 -1.26 -4.99 115.26 110.87 1f2l n ASN 9 Ca 0.03 0.00 -0.39 0.00 -0.53 0.00 0.00 54.58 53.68 1f2l n ASN 9 Cb 0.48 -0.23 -0.06 0.00 -2.08 0.00 0.00 39.78 37.90 1f2l n ASN 9 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 1f2l s ILE 10 N -0.64 4.72 0.27 1.53 -5.25 -1.26 -5.03 121.20 115.54 1f2l s ILE 10 Ca 0.00 1.46 -0.03 0.00 -0.99 0.00 0.00 60.65 61.09 1f2l s ILE 10 Cb 0.00 -4.03 -0.02 0.00 2.95 0.00 0.00 42.46 41.36 1f2l s ILE 10 CO 0.00 0.44 0.34 0.28 -1.79 0.00 0.00 174.94 174.21 1f2l s THR 11 N -0.48 0.00 -0.00 8.37 -1.32 -1.26 -4.74 115.64 116.21 1f2l s THR 11 Ca 0.34 -1.73 0.06 0.00 -1.21 0.00 0.00 61.69 59.15 1f2l s THR 11 Cb -0.20 -2.47 -0.03 0.00 -1.51 0.00 0.00 72.50 68.30 1f2l s THR 11 CO 0.21 0.00 -0.19 0.00 -2.21 0.00 0.00 174.62 172.43 1f2l n SER 13 N 2.00 0.22 -4.81 0.00 2.88 -1.26 -5.02 113.62 107.63 1f2l n SER 13 Ca -0.16 0.03 -0.38 0.00 -1.33 0.00 0.00 58.87 57.03 1f2l n SER 13 Cb 0.52 -0.14 -0.06 0.00 -0.75 0.00 0.00 64.21 63.78 1f2l n SER 13 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1f2l s LYS 14 N -1.20 3.95 0.07 -1.46 3.01 -1.26 -5.07 119.74 117.77 1f2l s LYS 14 Ca -0.01 0.28 -0.03 0.00 -1.01 0.00 0.00 55.97 55.20 1f2l s LYS 14 Cb 0.00 -3.27 -0.05 0.00 -1.01 0.00 0.00 37.83 33.50 1f2l s LYS 14 CO 0.01 0.57 0.27 -1.64 0.51 0.00 0.00 175.35 175.07 1f2l s MET 15 N -0.63 3.52 0.20 1.68 -1.94 -1.26 -4.86 119.30 116.01 1f2l s MET 15 Ca 0.21 -0.26 -0.30 0.00 -1.71 0.00 0.00 55.69 53.64 1f2l s MET 15 Cb -0.15 -2.99 -0.08 0.00 2.01 0.00 0.00 34.83 33.62 1f2l s MET 15 CO 0.10 0.58 0.99 -0.08 -0.01 0.00 0.00 175.02 176.59 1f2l s THR 16 N -1.50 4.10 0.95 2.05 -1.32 -0.10 -5.02 115.64 114.79 1f2l s THR 16 Ca 0.35 1.95 -0.12 0.00 -1.21 0.00 0.00 61.69 62.66 1f2l s THR 16 Cb -0.13 -4.25 0.16 0.00 -1.51 0.00 0.00 72.50 66.78 1f2l s THR 16 CO 0.24 0.40 1.12 -0.94 -2.21 0.00 0.00 174.62 173.23 1f2l s SER 17 N -0.67 3.14 0.23 8.08 1.04 -1.26 -4.76 113.70 119.49 1f2l s SER 17 Ca 0.44 1.04 -0.28 0.00 0.48 0.00 0.00 55.95 57.63 1f2l s SER 17 Cb -0.26 -1.65 -0.16 0.00 0.10 0.00 0.00 66.02 64.05 1f2l s SER 17 CO 0.33 -2.79 0.65 1.17 0.98 0.00 0.00 173.24 173.58 1f2l n LYS 18 N -3.93 0.37 -5.25 4.02 4.81 -1.26 -5.00 118.16 111.92 1f2l n LYS 18 Ca 0.06 0.13 -0.32 0.00 -0.87 0.00 0.00 58.31 57.31 1f2l n LYS 18 Cb 0.59 -1.23 -0.16 0.00 0.02 0.00 0.00 35.03 34.24 1f2l n LYS 18 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1f2l s ILE 19 N -1.02 2.09 0.01 3.15 1.01 -1.26 -5.09 121.20 120.10 1f2l s ILE 19 Ca 0.62 -1.05 -0.36 0.00 0.00 0.00 0.00 60.65 59.86 1f2l s ILE 19 Cb -0.86 -1.76 -0.15 0.00 0.01 0.00 0.00 42.46 39.69 1f2l s ILE 19 CO 0.57 0.57 1.55 -2.65 0.00 0.00 0.00 174.94 174.98 1f2l n PRO 20 N 3.02 1.56 0.28 2.79 -0.02 -1.26 -4.80 135.00 136.57 1f2l n PRO 20 Ca -0.18 0.57 0.14 0.00 -2.02 0.00 0.00 63.50 62.01 1f2l n PRO 20 Cb 0.52 -2.28 0.81 0.00 -0.02 0.00 0.00 33.50 32.54 1f2l n PRO 20 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1f2l h VAL 21 N 4.05 0.57 0.00 -1.45 -1.51 -1.98 0.25 116.25 116.19 1f2l h VAL 21 Ca -0.47 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1f2l h VAL 21 Cb 1.30 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 1f2l h VAL 21 CO 0.86 0.06 0.00 0.00 -1.23 0.00 0.00 177.57 177.26 1f2l h ALA 22 N 1.94 1.00 0.00 5.19 0.00 -2.03 -2.14 119.26 123.21 1f2l h ALA 22 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f2l h ALA 22 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1f2l h ALA 22 CO 0.01 0.00 -0.40 1.28 0.00 0.00 0.00 179.25 180.14 1f2l n LEU 23 N -2.41 0.61 -4.75 0.00 4.77 0.89 -4.89 117.00 111.22 1f2l n LEU 23 Ca 0.01 0.29 -0.38 0.00 -0.03 0.00 0.00 56.01 55.90 1f2l n LEU 23 Cb 0.18 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1f2l n LEU 23 CO 0.18 -0.04 0.18 -0.76 -1.33 0.00 0.00 177.39 175.62 1f2l s LEU 24 N -3.93 4.35 0.00 2.23 1.43 -0.81 0.57 118.68 122.51 1f2l s LEU 24 Ca 0.09 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 1f2l s LEU 24 Cb 0.15 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.64 1f2l s LEU 24 CO 0.67 0.09 0.00 2.30 0.23 0.00 0.00 176.35 179.64 1f2l n ILE 25 N 3.10 0.00 -3.51 -0.59 -5.35 -0.07 -4.88 119.36 108.06 1f2l n ILE 25 Ca -0.08 -0.29 -0.09 0.00 -0.27 0.00 0.00 62.75 62.01 1f2l n ILE 25 Cb 0.52 0.85 -0.02 0.00 -1.74 0.00 0.00 39.64 39.24 1f2l n ILE 25 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1f2l s HIS 26 N -0.98 -0.36 0.10 4.28 5.04 -1.19 -5.01 115.29 117.18 1f2l s HIS 26 Ca 0.00 0.25 -0.12 0.00 -1.54 0.00 0.00 55.06 53.65 1f2l s HIS 26 Cb 0.00 0.53 0.02 0.00 0.04 0.00 0.00 32.58 33.17 1f2l s HIS 26 CO 0.00 -0.54 0.29 1.52 -2.34 0.00 0.00 174.74 173.67 1f2l s TYR 27 N -2.98 -0.01 0.16 3.88 -0.85 -1.26 -0.37 117.35 115.92 1f2l s TYR 27 Ca 0.04 -0.36 -0.19 0.00 -0.52 0.00 0.00 57.07 56.04 1f2l s TYR 27 Cb -0.01 0.09 0.05 0.00 0.38 0.00 0.00 41.96 42.46 1f2l s TYR 27 CO -0.08 -0.61 0.52 1.14 -1.52 0.00 0.00 175.55 175.00 1f2l s GLN 28 N -3.79 1.26 0.29 -3.49 -2.07 -0.94 -4.99 119.66 105.93 1f2l s GLN 28 Ca 0.04 -0.67 0.08 0.00 -1.82 0.00 0.00 55.36 52.98 1f2l s GLN 28 Cb 0.03 0.53 -0.03 0.00 -1.09 0.00 0.00 33.01 32.45 1f2l s GLN 28 CO -0.11 -0.53 0.20 1.14 -1.32 0.00 0.00 175.29 174.67 1f2l s GLN 29 N -3.81 2.75 0.35 9.60 -2.07 -1.26 -0.70 119.66 124.52 1f2l s GLN 29 Ca 0.04 -1.21 -0.06 0.00 -1.82 0.00 0.00 55.36 52.31 1f2l s GLN 29 Cb -0.00 -2.46 0.09 0.00 -1.09 0.00 0.00 33.01 29.54 1f2l s GLN 29 CO -0.09 0.27 0.31 0.27 -1.32 0.00 0.00 175.29 174.73 1f2l n ASN 30 N -1.21 -1.29 -4.82 12.60 6.94 0.37 -4.90 115.26 122.94 1f2l n ASN 30 Ca -0.05 -0.70 -0.33 0.00 -0.02 0.00 0.00 54.58 53.48 1f2l n ASN 30 Cb 0.59 -0.29 -0.07 0.00 -2.36 0.00 0.00 39.78 37.65 1f2l n ASN 30 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1f2l s GLN 31 N -3.71 4.19 0.32 -3.83 -1.52 -1.26 -4.88 119.66 108.97 1f2l s GLN 31 Ca 0.20 1.05 0.03 0.00 -1.95 0.00 0.00 55.36 54.69 1f2l s GLN 31 Cb -0.02 -2.22 0.61 0.00 -0.22 0.00 0.00 33.01 31.16 1f2l s GLN 31 CO 0.16 -0.00 1.91 0.00 -0.25 0.00 0.00 175.29 177.10 1f2l h ALA 32 N 1.95 1.59 -0.85 6.09 0.00 -1.91 -0.70 119.26 125.43 1f2l h ALA 32 Ca -0.49 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 54.65 1f2l h ALA 32 Cb 1.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1f2l h ALA 32 CO 0.62 0.26 0.70 0.77 0.00 0.00 0.00 179.25 181.59 1f2l h SER 33 N 0.93 0.00 0.71 0.00 0.02 -1.93 -1.70 113.55 111.59 1f2l h SER 33 Ca 0.39 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.30 1f2l h SER 33 Cb 0.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1f2l h SER 33 CO -0.15 0.00 -0.19 0.00 -1.14 0.00 0.00 176.83 175.35 1f2l n GLY 35 N -0.16 0.86 3.55 0.00 0.00 -0.64 -4.99 105.19 103.81 1f2l n GLY 35 Ca -0.01 -1.12 -0.48 0.00 0.00 0.00 0.00 46.02 44.41 1f2l n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f2l n LYS 36 N 0.00 0.96 -2.46 1.61 5.02 -1.26 -4.90 118.16 117.13 1f2l n LYS 36 Ca 0.00 0.34 -0.42 0.00 -2.02 0.00 0.00 58.31 56.21 1f2l n LYS 36 Cb 0.00 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.25 1f2l n LYS 36 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1f2l s ARG 37 N -0.74 4.47 -0.03 1.97 3.52 -1.26 -4.94 118.95 121.94 1f2l s ARG 37 Ca 0.69 1.73 0.04 0.00 -0.13 0.00 0.00 55.73 58.07 1f2l s ARG 37 Cb -0.85 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 29.19 1f2l s ARG 37 CO 0.55 -0.19 -0.16 0.00 -0.81 0.00 0.00 175.30 174.70 1f2l s ALA 38 N 0.84 1.37 -0.21 6.12 0.00 -1.26 -4.49 121.76 124.13 1f2l s ALA 38 Ca 0.57 -0.64 -0.12 0.00 0.00 0.00 0.00 51.96 51.77 1f2l s ALA 38 Cb -0.29 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 1f2l s ALA 38 CO 0.30 0.27 0.21 0.42 0.00 0.00 0.00 175.76 176.96 1f2l s ILE 39 N -0.08 5.34 -0.44 0.00 -1.09 0.05 -0.48 121.20 124.50 1f2l s ILE 39 Ca -0.00 0.32 -0.16 0.00 -2.23 0.00 0.00 60.65 58.59 1f2l s ILE 39 Cb -0.09 -3.55 0.04 0.00 -1.58 0.00 0.00 42.46 37.28 1f2l s ILE 39 CO 0.01 0.37 0.37 -0.63 -1.23 0.00 0.00 174.94 173.83 1f2l s ILE 40 N 0.77 5.21 0.02 2.92 -1.09 0.12 0.13 121.20 129.28 1f2l s ILE 40 Ca 0.11 -0.80 -0.17 0.00 -2.23 0.00 0.00 60.65 57.56 1f2l s ILE 40 Cb -0.13 -4.04 -0.06 0.00 -1.58 0.00 0.00 42.46 36.65 1f2l s ILE 40 CO 0.03 -0.46 0.49 -0.76 -1.23 0.00 0.00 174.94 173.01 1f2l s LEU 41 N 1.75 4.48 -0.13 2.97 1.43 0.25 -2.21 118.68 127.21 1f2l s LEU 41 Ca 0.06 1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 54.23 1f2l s LEU 41 Cb -0.21 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 1f2l s LEU 41 CO 0.09 0.26 -0.11 -0.70 0.23 0.00 0.00 176.35 176.13 1f2l s GLU 42 N -0.89 3.44 0.72 1.70 2.12 0.50 -0.35 118.70 125.93 1f2l s GLU 42 Ca 0.26 -0.64 -0.01 0.00 0.36 0.00 0.00 54.97 54.95 1f2l s GLU 42 Cb -0.18 -2.70 0.13 0.00 0.26 0.00 0.00 34.13 31.64 1f2l s GLU 42 CO 0.16 0.23 0.99 0.95 -0.54 0.00 0.00 175.26 177.05 1f2l s THR 43 N 0.32 2.14 0.37 -1.70 -4.23 -0.45 -0.89 115.64 111.19 1f2l s THR 43 Ca -0.09 -0.60 0.05 0.00 -1.18 0.00 0.00 61.69 59.88 1f2l s THR 43 Cb -0.15 -2.54 0.28 0.00 1.34 0.00 0.00 72.50 71.43 1f2l s THR 43 CO 0.05 0.00 2.00 -0.09 -0.54 0.00 0.00 174.62 176.04 1f2l h ARG 44 N -0.51 0.71 0.00 3.99 1.12 -0.22 0.32 114.38 119.80 1f2l h ARG 44 Ca -0.36 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.46 1f2l h ARG 44 Cb 1.27 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 31.07 1f2l h ARG 44 CO 0.40 0.47 0.00 1.04 -3.11 0.00 0.00 179.97 178.78 1f2l n GLN 45 N -4.46 0.50 -1.07 0.20 3.00 -1.26 -4.86 117.38 109.43 1f2l n GLN 45 Ca 0.08 0.04 -0.02 0.00 -0.01 0.00 0.00 57.00 57.08 1f2l n GLN 45 Cb 0.14 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 28.87 1f2l n GLN 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1f2l n HIS 46 N -1.18 0.00 -2.38 1.08 8.25 0.11 -5.00 115.22 116.10 1f2l n HIS 46 Ca 0.14 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.20 1f2l n HIS 46 Cb 0.15 -0.78 -0.04 0.00 1.12 0.00 0.00 29.99 30.44 1f2l n HIS 46 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1f2l s ARG 47 N -1.53 4.56 -0.16 -0.41 6.06 -1.26 -4.73 118.95 121.48 1f2l s ARG 47 Ca 0.00 1.90 -0.11 0.00 -2.50 0.00 0.00 55.73 55.02 1f2l s ARG 47 Cb 0.00 -3.15 -0.05 0.00 0.06 0.00 0.00 34.95 31.81 1f2l s ARG 47 CO 0.00 0.11 0.20 -0.51 -2.50 0.00 0.00 175.30 172.59 1f2l s LEU 48 N -1.55 4.26 0.05 -0.88 1.43 -1.26 -1.35 118.68 119.38 1f2l s LEU 48 Ca 0.46 0.40 0.05 0.00 -1.03 0.00 0.00 54.13 54.01 1f2l s LEU 48 Cb -0.34 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 1f2l s LEU 48 CO 0.44 0.20 -0.15 -0.36 0.23 0.00 0.00 176.35 176.71 1f2l s PHE 49 N 0.08 1.29 -0.31 0.29 0.08 0.52 -4.96 117.98 114.98 1f2l s PHE 49 Ca 0.13 -0.37 -0.24 0.00 0.12 0.00 0.00 56.93 56.57 1f2l s PHE 49 Cb -0.12 -0.76 0.00 0.00 -0.57 0.00 0.00 43.02 41.57 1f2l s PHE 49 CO 0.02 0.05 0.81 0.00 -0.10 0.00 0.00 175.22 176.00 1f2l s ALA 51 N 3.02 1.49 -0.38 0.00 0.00 0.34 -0.92 121.76 125.30 1f2l s ALA 51 Ca 0.33 -1.31 -0.23 0.00 0.00 0.00 0.00 51.96 50.75 1f2l s ALA 51 Cb -0.14 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1f2l s ALA 51 CO 0.13 0.08 0.80 0.34 0.00 0.00 0.00 175.76 177.11 1f2l s ASP 52 N -2.52 6.54 0.46 0.00 -1.08 -1.26 -0.77 116.67 118.03 1f2l s ASP 52 Ca 0.10 0.30 0.31 0.00 -0.52 0.00 0.00 52.55 52.74 1f2l s ASP 52 Cb -0.04 -2.40 1.51 0.00 -1.46 0.00 0.00 42.92 40.52 1f2l s ASP 52 CO 0.03 -0.78 1.95 1.55 0.52 0.00 0.00 175.17 178.44 1f2l h PRO 53 N 8.57 0.00 0.00 4.34 0.13 -1.95 -0.75 132.00 142.34 1f2l h PRO 53 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1f2l h PRO 53 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1f2l h PRO 53 CO 0.93 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.57 1f2l h LYS 54 N 0.00 0.00 -6.25 0.86 1.57 -1.92 -3.40 116.57 107.43 1f2l h LYS 54 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1f2l h LYS 54 Cb 0.24 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1f2l h LYS 54 CO 0.00 0.00 0.23 -1.21 -0.57 0.00 0.00 179.45 177.90 1f2l s GLU 55 N -3.71 4.51 0.25 3.15 2.02 -0.29 -4.94 118.70 119.68 1f2l s GLU 55 Ca -0.01 1.15 -0.04 0.00 0.02 0.00 0.00 54.97 56.10 1f2l s GLU 55 Cb 0.10 -3.44 0.48 0.00 0.10 0.00 0.00 34.13 31.37 1f2l s GLU 55 CO 0.40 0.05 1.71 0.37 0.02 0.00 0.00 175.26 177.82 1f2l h GLN 56 N 6.59 0.38 -0.54 1.61 5.75 -1.88 -0.78 115.11 126.25 1f2l h GLN 56 Ca -0.41 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.06 1f2l h GLN 56 Cb 1.21 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.65 1f2l h GLN 56 CO 0.75 0.25 0.31 0.11 -2.65 0.00 0.00 178.83 177.59 1f2l h TRP 57 N 0.39 0.71 -0.31 3.99 5.08 -1.93 0.37 115.95 124.24 1f2l h TRP 57 Ca 0.42 -0.00 -0.18 0.00 1.08 0.00 0.00 58.89 60.21 1f2l h TRP 57 Cb 0.68 -0.23 -0.00 0.00 -3.00 0.00 0.00 29.16 26.61 1f2l h TRP 57 CO -0.19 0.49 -0.50 0.28 -1.28 0.00 0.00 178.44 177.24 1f2l h VAL 58 N 0.74 1.27 -0.42 0.12 2.07 -1.44 0.09 116.25 118.68 1f2l h VAL 58 Ca 0.19 -1.68 0.02 0.00 0.82 0.00 0.00 66.70 66.05 1f2l h VAL 58 Cb 0.00 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1f2l h VAL 58 CO -0.03 0.55 0.25 0.11 0.02 0.00 0.00 177.57 178.47 1f2l h LYS 59 N 0.69 0.49 -0.53 1.57 1.57 -0.49 0.19 116.57 120.07 1f2l h LYS 59 Ca 0.03 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1f2l h LYS 59 Cb 1.11 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 1f2l h LYS 59 CO 0.11 0.33 0.33 -0.44 -0.57 0.00 0.00 179.45 179.21 1f2l h ASP 60 N 0.51 0.55 -0.60 0.86 3.32 -0.17 -1.22 116.42 119.66 1f2l h ASP 60 Ca 0.17 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1f2l h ASP 60 Cb 0.01 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1f2l h ASP 60 CO -0.08 0.39 0.33 0.00 -1.72 0.00 0.00 179.24 178.16 1f2l h ALA 61 N 1.22 0.77 -0.70 3.45 0.00 -0.55 -0.56 119.26 122.90 1f2l h ALA 61 Ca 0.21 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1f2l h ALA 61 Cb -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1f2l h ALA 61 CO -0.07 0.29 0.24 0.52 0.00 0.00 0.00 179.25 180.22 1f2l h MET 62 N 0.82 1.07 -0.60 0.00 2.86 -0.19 -1.85 114.93 117.04 1f2l h MET 62 Ca 0.21 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1f2l h MET 62 Cb 0.05 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1f2l h MET 62 CO -0.03 0.91 0.31 1.96 1.06 0.00 0.00 176.91 181.12 1f2l h GLN 63 N 1.01 0.84 -0.04 1.72 1.08 -0.87 0.22 115.11 119.08 1f2l h GLN 63 Ca 0.23 -0.11 0.04 0.00 -1.45 0.00 0.00 58.65 57.36 1f2l h GLN 63 Cb 0.28 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.50 1f2l h GLN 63 CO -0.01 0.65 -0.27 1.25 -0.95 0.00 0.00 178.83 179.51 1f2l h HIS 64 N 0.81 -0.72 -0.27 2.96 2.76 -0.93 0.34 115.15 120.10 1f2l h HIS 64 Ca 0.21 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.42 1f2l h HIS 64 Cb 0.07 0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 1f2l h HIS 64 CO -0.01 -0.36 0.14 -0.07 -1.30 0.00 0.00 177.93 176.34 1f2l h LEU 65 N -0.39 0.22 -1.26 0.26 4.07 -1.03 -0.53 115.31 116.65 1f2l h LEU 65 Ca 0.07 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 58.01 1f2l h LEU 65 Cb 0.49 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 1f2l h LEU 65 CO -0.26 0.17 0.12 0.44 -1.08 0.00 0.00 178.44 177.82 1f2l h ASP 66 N 0.30 0.57 -0.61 -0.43 3.32 -0.14 -1.38 116.42 118.06 1f2l h ASP 66 Ca 0.11 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1f2l h ASP 66 Cb 0.02 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1f2l h ASP 66 CO -0.07 0.57 0.00 0.03 -1.72 0.00 0.00 179.24 178.05 1f2l h ARG 67 N 0.61 1.08 0.20 3.56 3.08 0.34 -0.26 114.38 123.00 1f2l h ARG 67 Ca 0.14 -0.34 0.01 0.00 0.07 0.00 0.00 59.98 59.86 1f2l h ARG 67 Cb 0.21 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1f2l h ARG 67 CO -0.01 1.05 -0.45 1.96 -1.07 0.00 0.00 179.97 181.46 1f2l h GLN 68 N 0.99 -0.71 -0.44 0.04 4.20 -0.44 -0.94 115.11 117.80 1f2l h GLN 68 Ca 0.17 0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.95 1f2l h GLN 68 Cb 0.56 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 1f2l h GLN 68 CO 0.03 -0.47 0.30 0.00 -0.67 0.00 0.00 178.83 178.01 1f2l h ALA 69 N -0.36 1.73 -0.27 3.87 0.00 -1.03 -2.22 119.26 120.96 1f2l h ALA 69 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1f2l h ALA 69 Cb 0.73 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1f2l h ALA 69 CO -0.21 0.24 0.06 0.00 0.00 0.00 0.00 179.25 179.34 1f2l h ALA 70 N 1.73 0.36 -0.94 0.00 0.00 -0.54 -2.93 119.26 116.94 1f2l h ALA 70 Ca 0.17 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 55.07 1f2l h ALA 70 Cb -0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.60 1f2l h ALA 70 CO -0.04 0.03 0.60 0.00 0.00 0.00 0.00 179.25 179.84 1f2l h ALA 71 N 0.88 1.80 0.00 0.00 0.00 -0.55 -0.11 119.26 121.28 1f2l h ALA 71 Ca 0.08 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1f2l h ALA 71 Cb 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1f2l h ALA 71 CO 0.00 -0.08 -0.07 -0.07 0.00 0.00 0.00 179.25 179.03 1f2l h LEU 72 N 0.72 0.00 -1.57 0.00 4.07 -1.38 -2.53 115.31 114.62 1f2l h LEU 72 Ca 0.49 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.45 1f2l h LEU 72 Cb 0.80 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.54 1f2l h LEU 72 CO -0.25 0.07 0.00 0.71 -1.08 0.00 0.00 178.44 177.89 1f2l h THR 73 N 0.00 0.00 0.00 0.22 1.35 -1.02 -3.52 112.91 109.94 1f2l h THR 73 Ca -0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1f2l h THR 73 Cb 0.32 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1f2l h THR 73 CO 0.01 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.17