#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfb n TYR 13 N 0.00 -1.42 -3.62 5.58 0.53 -1.26 -5.09 117.16 111.87 2jfb n TYR 13 Ca 0.00 0.85 -0.22 0.00 -1.02 0.00 0.00 57.90 57.51 2jfb n TYR 13 Cb 0.00 -2.53 -0.16 0.00 -1.03 0.00 0.00 39.34 35.61 2jfb n TYR 13 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 2jfb s ASP 14 N -0.17 1.63 -0.36 7.72 3.68 -1.26 -4.93 116.67 122.97 2jfb s ASP 14 Ca 0.00 -0.22 0.08 0.00 2.13 0.00 0.00 52.55 54.54 2jfb s ASP 14 Cb 0.00 -0.04 0.70 0.00 -1.45 0.00 0.00 42.92 42.13 2jfb s ASP 14 CO 0.00 -0.30 1.81 0.61 0.13 0.00 0.00 175.17 177.41 2jfb n GLY 15 N 5.30 4.03 0.31 2.66 0.00 0.30 -4.62 105.19 113.17 2jfb n GLY 15 Ca -0.05 -1.05 -0.02 0.00 0.00 0.00 0.00 46.02 44.90 2jfb n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jfb h SER 16 N 2.00 0.74 0.23 1.61 4.64 -1.76 -2.51 113.55 118.50 2jfb h SER 16 Ca 0.37 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2jfb h SER 16 Cb 2.43 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 64.33 2jfb h SER 16 CO 0.81 0.70 -0.17 0.29 -0.87 0.00 0.00 176.83 177.59 2jfb n LYS 17 N -4.30 0.93 -3.49 4.77 5.02 -1.26 -4.69 118.16 115.13 2jfb n LYS 17 Ca 0.04 -0.48 -0.35 0.00 -2.02 0.00 0.00 58.31 55.50 2jfb n LYS 17 Cb 0.19 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 2jfb n LYS 17 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jfb s LEU 18 N -2.41 4.34 -0.21 -0.35 1.43 -0.95 -5.07 118.68 115.47 2jfb s LEU 18 Ca 0.28 0.90 -0.03 0.00 -1.03 0.00 0.00 54.13 54.26 2jfb s LEU 18 Cb 0.20 -3.10 -0.00 0.00 0.03 0.00 0.00 46.19 43.31 2jfb s LEU 18 CO 0.48 0.14 -0.07 -0.60 0.23 0.00 0.00 176.35 176.52 2jfb s ARG 19 N -1.94 3.32 -0.10 1.70 3.52 -1.26 -4.69 118.95 119.50 2jfb s ARG 19 Ca 0.35 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 55.30 2jfb s ARG 19 Cb -0.14 -2.91 -0.02 0.00 -1.56 0.00 0.00 34.95 30.32 2jfb s ARG 19 CO 0.19 -0.16 -0.14 0.42 -0.81 0.00 0.00 175.30 174.79 2jfb s ILE 20 N 1.35 2.98 -0.17 4.11 -1.09 0.51 0.32 121.20 129.21 2jfb s ILE 20 Ca 0.04 -0.71 -0.07 0.00 -2.23 0.00 0.00 60.65 57.68 2jfb s ILE 20 Cb -0.14 -2.22 -0.04 0.00 -1.58 0.00 0.00 42.46 38.48 2jfb s ILE 20 CO -0.04 0.55 0.09 -0.83 -1.23 0.00 0.00 174.94 173.47 2jfb s GLY 21 N 0.01 1.99 -0.19 6.18 0.00 -0.63 -1.46 107.32 113.22 2jfb s GLY 21 Ca -0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 44.72 43.94 2jfb s GLY 21 CO 0.04 -0.07 -0.10 -0.42 0.00 0.00 0.00 173.10 172.56 2jfb s ILE 22 N -0.03 2.98 -0.23 0.90 1.01 0.37 -0.25 121.20 125.96 2jfb s ILE 22 Ca 0.08 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.11 2jfb s ILE 22 Cb -0.12 -2.32 0.04 0.00 0.01 0.00 0.00 42.46 40.08 2jfb s ILE 22 CO 0.00 0.47 -0.15 -0.22 0.00 0.00 0.00 174.94 175.05 2jfb s LEU 23 N 1.19 2.90 0.09 2.97 2.96 -0.87 -1.13 118.68 126.80 2jfb s LEU 23 Ca 0.02 -1.09 0.10 0.00 -0.22 0.00 0.00 54.13 52.94 2jfb s LEU 23 Cb -0.14 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2jfb s LEU 23 CO -0.04 -0.11 -0.25 -1.38 -1.32 0.00 0.00 176.35 173.25 2jfb s HIS 24 N 1.18 2.19 0.91 5.38 -3.43 -0.67 0.04 115.29 120.88 2jfb s HIS 24 Ca -0.03 -0.39 -0.12 0.00 -0.80 0.00 0.00 55.06 53.72 2jfb s HIS 24 Cb -0.17 -1.24 0.14 0.00 -1.43 0.00 0.00 32.58 29.88 2jfb s HIS 24 CO -0.08 0.23 1.10 0.00 -2.00 0.00 0.00 174.74 173.99 2jfb s ALA 25 N -0.97 1.53 -0.55 -1.38 0.00 -0.40 -1.07 121.76 118.92 2jfb s ALA 25 Ca 0.12 -0.22 0.08 0.00 0.00 0.00 0.00 51.96 51.93 2jfb s ALA 25 Cb -0.10 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 2jfb s ALA 25 CO 0.04 -2.37 0.44 0.54 0.00 0.00 0.00 175.76 174.42 2jfb n ARG 26 N -3.87 3.35 -2.13 0.00 1.74 -1.04 -4.83 116.66 109.88 2jfb n ARG 26 Ca 0.06 -0.27 -0.40 0.00 -0.77 0.00 0.00 57.85 56.48 2jfb n ARG 26 Cb 0.56 -0.94 -0.01 0.00 -1.02 0.00 0.00 32.46 31.05 2jfb n ARG 26 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2jfb s TRP 27 N -1.46 2.97 -1.17 -1.55 0.52 -1.24 -3.59 118.94 113.44 2jfb s TRP 27 Ca 0.05 1.45 -0.08 0.00 0.02 0.00 0.00 56.10 57.53 2jfb s TRP 27 Cb 0.06 -3.62 -0.02 0.00 -1.15 0.00 0.00 33.47 28.74 2jfb s TRP 27 CO 0.26 -1.82 0.82 0.09 0.02 0.00 0.00 176.95 176.32 2jfb n ASN 28 N 0.41 -4.18 0.01 2.95 3.02 -1.26 -4.64 115.26 111.57 2jfb n ASN 28 Ca 0.02 -0.83 0.01 0.00 -0.03 0.00 0.00 54.58 53.76 2jfb n ASN 28 Cb 0.43 -4.32 0.34 0.00 -0.61 0.00 0.00 39.78 35.62 2jfb n ASN 28 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2jfb h ARG 29 N -1.63 0.52 -0.60 3.52 9.65 -1.92 -1.22 114.38 122.70 2jfb h ARG 29 Ca -0.62 -0.08 0.04 0.00 -1.10 0.00 0.00 59.98 58.22 2jfb h ARG 29 Cb 1.34 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.79 2jfb h ARG 29 CO 0.50 0.48 0.34 -0.22 2.80 0.00 0.00 179.97 183.86 2jfb h LYS 30 N 0.51 0.63 0.08 0.20 1.63 -1.92 -0.83 116.57 116.87 2jfb h LYS 30 Ca 0.12 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 59.70 2jfb h LYS 30 Cb 0.20 -0.14 0.02 0.00 -0.60 0.00 0.00 32.23 31.70 2jfb h LYS 30 CO -0.00 0.42 -0.74 0.82 -3.45 0.00 0.00 179.45 176.49 2jfb h ILE 31 N 0.65 1.46 -0.38 2.00 2.04 -1.83 -3.25 117.51 118.20 2jfb h ILE 31 Ca 0.26 -2.33 0.08 0.00 1.00 0.00 0.00 64.86 63.87 2jfb h ILE 31 Cb 0.11 2.91 -0.08 0.00 -0.74 0.00 0.00 36.82 39.02 2jfb h ILE 31 CO -0.15 0.67 -0.20 0.40 0.00 0.00 0.00 178.15 178.88 2jfb h ILE 32 N -0.22 0.43 -0.74 -0.67 1.08 -1.12 -2.32 117.51 113.95 2jfb h ILE 32 Ca -0.12 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.41 2jfb h ILE 32 Cb 1.51 0.43 -0.05 0.00 -3.07 0.00 0.00 36.82 35.65 2jfb h ILE 32 CO 0.14 0.00 0.49 0.44 -0.69 0.00 0.00 178.15 178.53 2jfb h ASP 33 N -0.13 0.71 -0.46 1.72 3.32 -1.26 -0.91 116.42 119.40 2jfb h ASP 33 Ca 0.19 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.12 2jfb h ASP 33 Cb 0.42 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2jfb h ASP 33 CO -0.46 0.46 -0.16 0.00 -1.72 0.00 0.00 179.24 177.36 2jfb h ALA 34 N 1.59 0.64 -0.37 3.45 0.00 -1.47 -1.93 119.26 121.17 2jfb h ALA 34 Ca 0.32 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2jfb h ALA 34 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jfb h ALA 34 CO -0.10 0.59 -0.29 -0.07 0.00 0.00 0.00 179.25 179.38 2jfb h LEU 35 N 0.77 0.82 -0.31 0.00 3.38 -0.91 -1.84 115.31 117.22 2jfb h LEU 35 Ca 0.11 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 2jfb h LEU 35 Cb 0.73 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2jfb h LEU 35 CO 0.06 1.05 -0.01 0.58 0.09 0.00 0.00 178.44 180.20 2jfb h VAL 36 N 0.68 1.26 -0.86 1.22 2.07 -1.16 -1.62 116.25 117.84 2jfb h VAL 36 Ca 0.08 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2jfb h VAL 36 Cb 0.82 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 2jfb h VAL 36 CO 0.07 0.32 0.55 0.00 0.02 0.00 0.00 177.57 178.53 2jfb h ALA 37 N 0.83 1.09 -0.43 1.67 0.00 -1.30 0.06 119.26 121.19 2jfb h ALA 37 Ca 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2jfb h ALA 37 Cb 0.46 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2jfb h ALA 37 CO 0.02 0.52 0.21 0.78 0.00 0.00 0.00 179.25 180.78 2jfb h GLY 38 N 1.17 0.66 0.97 0.00 0.00 -1.21 -0.37 103.07 104.29 2jfb h GLY 38 Ca 0.31 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2jfb h GLY 38 CO -0.06 0.31 -0.07 0.00 0.00 0.00 0.00 176.54 176.71 2jfb h ALA 39 N 1.06 -0.21 -0.46 3.60 0.00 -0.97 -2.26 119.26 120.03 2jfb h ALA 39 Ca 0.15 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2jfb h ALA 39 Cb 0.11 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2jfb h ALA 39 CO -0.02 -0.60 0.12 0.28 0.00 0.00 0.00 179.25 179.03 2jfb h VAL 40 N -0.24 0.79 -0.04 0.00 2.07 -0.89 -0.73 116.25 117.22 2jfb h VAL 40 Ca -0.02 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.43 2jfb h VAL 40 Cb 0.18 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2jfb h VAL 40 CO 0.03 0.05 -0.12 0.50 0.02 0.00 0.00 177.57 178.05 2jfb h LYS 41 N 0.27 -0.18 -0.35 1.57 3.64 -0.98 -0.90 116.57 119.65 2jfb h LYS 41 Ca 0.22 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 2jfb h LYS 41 Cb 0.26 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2jfb h LYS 41 CO -0.26 -0.12 -0.22 -0.09 -2.27 0.00 0.00 179.45 176.49 2jfb h ARG 42 N -0.18 0.67 0.16 1.90 9.65 -1.16 -0.63 114.38 124.78 2jfb h ARG 42 Ca 0.06 -0.26 0.01 0.00 -1.10 0.00 0.00 59.98 58.69 2jfb h ARG 42 Cb 0.26 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 2jfb h ARG 42 CO -0.15 0.83 -0.20 -0.07 2.80 0.00 0.00 179.97 183.18 2jfb h LEU 43 N 0.59 -0.56 -1.18 3.80 4.07 -0.91 -2.04 115.31 119.08 2jfb h LEU 43 Ca 0.09 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 2jfb h LEU 43 Cb 0.69 0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.60 2jfb h LEU 43 CO 0.05 -0.29 0.28 1.56 -1.08 0.00 0.00 178.44 178.96 2jfb h GLN 44 N -0.41 0.85 0.00 1.13 4.20 -0.92 -1.63 115.11 118.32 2jfb h GLN 44 Ca 0.01 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 2jfb h GLN 44 Cb 0.41 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2jfb h GLN 44 CO -0.08 0.67 -0.19 0.93 -0.67 0.00 0.00 178.83 179.49 2jfb h GLU 45 N 0.85 0.00 -0.46 1.46 5.08 -0.95 -2.84 114.58 117.72 2jfb h GLU 45 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2jfb h GLU 45 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2jfb h GLU 45 CO -0.03 0.19 0.00 1.19 -1.00 0.00 0.00 179.01 179.36 2jfb n PHE 46 N -3.46 0.60 0.00 4.33 3.01 -0.78 -4.95 117.46 116.21 2jfb n PHE 46 Ca -0.01 -0.30 0.00 0.00 1.01 0.00 0.00 57.45 58.15 2jfb n PHE 46 Cb 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 2jfb n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jfb n GLY 47 N 1.48 1.31 3.68 1.37 0.00 -1.07 -0.54 105.19 111.43 2jfb n GLY 47 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2jfb n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jfb s VAL 48 N -2.16 3.35 0.68 1.61 1.01 -0.67 -3.41 120.40 120.81 2jfb s VAL 48 Ca 0.00 0.72 -0.11 0.00 0.00 0.00 0.00 61.98 62.59 2jfb s VAL 48 Cb 0.00 -3.46 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 2jfb s VAL 48 CO 0.00 -0.01 1.05 -0.54 0.00 0.00 0.00 175.10 175.60 2jfb s LYS 49 N 2.82 3.10 0.22 2.72 1.02 -1.26 -3.82 119.74 124.53 2jfb s LYS 49 Ca 0.71 0.87 -0.08 0.00 0.02 0.00 0.00 55.97 57.49 2jfb s LYS 49 Cb -0.36 -2.01 0.24 0.00 -0.52 0.00 0.00 37.83 35.17 2jfb s LYS 49 CO 0.30 -0.96 1.87 0.93 -0.92 0.00 0.00 175.35 176.56 2jfb h GLU 50 N -0.61 0.97 0.00 1.68 5.08 -1.95 -1.85 114.58 117.89 2jfb h GLU 50 Ca -0.44 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 2jfb h GLU 50 Cb 1.21 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2jfb h GLU 50 CO 0.59 0.64 -0.07 0.93 -1.00 0.00 0.00 179.01 180.09 2jfb h GLU 51 N 0.99 0.00 -0.64 2.33 5.08 -2.01 -3.02 114.58 117.32 2jfb h GLU 51 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2jfb h GLU 51 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2jfb h GLU 51 CO -0.11 0.07 0.00 0.09 -1.00 0.00 0.00 179.01 178.06 2jfb n ASN 52 N -4.02 3.81 -4.22 1.42 3.02 -0.70 -4.70 115.26 109.87 2jfb n ASN 52 Ca -0.03 -2.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.12 2jfb n ASN 52 Cb 0.16 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 38.82 2jfb n ASN 52 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jfb s ILE 53 N -1.10 4.19 -0.30 2.41 1.01 -1.14 -0.36 121.20 125.89 2jfb s ILE 53 Ca 0.46 -1.70 -0.14 0.00 0.00 0.00 0.00 60.65 59.27 2jfb s ILE 53 Cb 0.24 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 2jfb s ILE 53 CO 0.32 -0.71 0.30 -0.63 0.00 0.00 0.00 174.94 174.22 2jfb s ILE 54 N 1.37 5.23 -0.20 2.92 -1.09 -0.54 -4.98 121.20 123.91 2jfb s ILE 54 Ca 0.05 0.19 -0.04 0.00 -2.23 0.00 0.00 60.65 58.63 2jfb s ILE 54 Cb -0.25 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 36.92 2jfb s ILE 54 CO -0.00 0.08 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.13 2jfb s ILE 55 N 1.92 3.59 0.12 2.92 1.01 -1.26 -0.48 121.20 129.02 2jfb s ILE 55 Ca 0.11 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.34 2jfb s ILE 55 Cb -0.16 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 2jfb s ILE 55 CO 0.11 0.44 -0.06 -0.70 0.00 0.00 0.00 174.94 174.73 2jfb s GLU 56 N 1.09 0.90 0.22 2.79 2.56 -0.28 -5.00 118.70 120.99 2jfb s GLU 56 Ca 0.01 -1.38 0.11 0.00 0.00 0.00 0.00 54.97 53.71 2jfb s GLU 56 Cb -0.15 -0.28 -0.05 0.00 2.00 0.00 0.00 34.13 35.66 2jfb s GLU 56 CO 0.00 -0.02 -0.20 0.95 -0.56 0.00 0.00 175.26 175.44 2jfb s THR 57 N -3.58 2.23 0.15 -1.70 -4.23 -1.26 -1.68 115.64 105.57 2jfb s THR 57 Ca 0.14 -2.19 0.05 0.00 -1.18 0.00 0.00 61.69 58.51 2jfb s THR 57 Cb 0.05 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 2jfb s THR 57 CO -0.03 -0.33 -0.11 0.68 -0.54 0.00 0.00 174.62 174.30 2jfb s VAL 58 N -2.24 1.23 0.13 2.29 -7.23 -0.24 -4.89 120.40 109.45 2jfb s VAL 58 Ca 0.24 -2.08 -0.19 0.00 -1.81 0.00 0.00 61.98 58.14 2jfb s VAL 58 Cb -0.05 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 2jfb s VAL 58 CO 0.11 -0.73 1.78 -0.65 -0.31 0.00 0.00 175.10 175.30 2jfb h PRO 59 N 2.76 0.32 -4.39 4.82 0.11 -1.94 -2.77 132.00 130.90 2jfb h PRO 59 Ca -0.37 -0.02 -0.30 0.00 0.11 0.00 0.00 66.00 65.43 2jfb h PRO 59 Cb 1.19 -0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.12 2jfb h PRO 59 CO 0.63 0.21 -0.36 0.20 -0.21 0.00 0.00 178.00 178.47 2jfb s GLY 60 N -2.42 1.61 0.48 -0.55 0.00 -1.26 -2.83 107.32 102.35 2jfb s GLY 60 Ca -0.13 -1.64 0.23 0.00 0.00 0.00 0.00 44.72 43.18 2jfb s GLY 60 CO 0.70 -1.18 2.00 1.76 0.00 0.00 0.00 173.10 176.38 2jfb h SER 61 N 2.25 0.00 0.44 1.64 0.02 -1.93 -2.39 113.55 113.57 2jfb h SER 61 Ca -0.29 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.56 2jfb h SER 61 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 2jfb h SER 61 CO 0.41 0.18 -0.47 0.15 -1.14 0.00 0.00 176.83 175.96 2jfb h PHE 62 N 0.00 0.04 -0.02 3.45 3.57 -1.97 -2.72 116.94 119.29 2jfb h PHE 62 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2jfb h PHE 62 Cb 0.43 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.16 2jfb h PHE 62 CO 0.00 0.49 0.00 0.39 -2.23 0.00 0.00 178.31 176.96 2jfb n GLU 63 N -3.98 1.15 0.01 1.11 4.71 -0.90 -4.22 120.64 118.51 2jfb n GLU 63 Ca -0.02 -0.21 -0.13 0.00 -0.01 0.00 0.00 57.16 56.79 2jfb n GLU 63 Cb 0.49 -1.42 -0.09 0.00 -1.01 0.00 0.00 31.44 29.41 2jfb n GLU 63 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2jfb h LEU 64 N 0.48 -0.03 0.27 -4.62 3.38 -1.52 -0.23 115.31 113.04 2jfb h LEU 64 Ca 0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2jfb h LEU 64 Cb 0.10 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2jfb h LEU 64 CO 0.00 0.36 -0.29 -0.65 0.09 0.00 0.00 178.44 177.95 2jfb h PRO 65 N -0.43 -0.57 -0.09 1.13 0.11 -1.79 0.54 132.00 130.90 2jfb h PRO 65 Ca -0.00 0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.01 2jfb h PRO 65 Cb 0.40 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 2jfb h PRO 65 CO 0.01 -0.38 -0.54 -0.92 -0.21 0.00 0.00 178.00 175.96 2jfb h TYR 66 N -0.59 0.32 -0.69 0.65 3.20 -1.83 -2.57 116.97 115.46 2jfb h TYR 66 Ca -0.01 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 61.75 2jfb h TYR 66 Cb 0.55 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 2jfb h TYR 66 CO -0.19 0.74 0.42 0.78 -1.64 0.00 0.00 178.16 178.27 2jfb h GLY 67 N 1.37 0.99 1.08 1.82 0.00 -0.91 -1.12 103.07 106.30 2jfb h GLY 67 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 2jfb h GLY 67 CO 0.08 0.39 -0.11 1.76 0.00 0.00 0.00 176.54 178.66 2jfb h SER 68 N 0.94 1.01 -0.15 0.19 0.02 -0.58 -0.57 113.55 114.41 2jfb h SER 68 Ca 0.25 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2jfb h SER 68 Cb -0.05 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 2jfb h SER 68 CO -0.05 1.13 0.03 0.50 -1.14 0.00 0.00 176.83 177.30 2jfb h LYS 69 N 0.88 0.24 -0.80 3.45 3.11 -1.07 0.09 116.57 122.47 2jfb h LYS 69 Ca 0.14 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.88 2jfb h LYS 69 Cb 0.68 -0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.84 2jfb h LYS 69 CO 0.05 0.42 0.39 -0.07 -2.81 0.00 0.00 179.45 177.42 2jfb h LEU 70 N 0.03 1.04 -0.31 5.20 3.38 -1.21 -0.69 115.31 122.75 2jfb h LEU 70 Ca 0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2jfb h LEU 70 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2jfb h LEU 70 CO 0.00 0.88 0.10 0.15 0.09 0.00 0.00 178.44 179.67 2jfb h PHE 71 N 1.14 0.49 -0.54 1.13 3.57 -0.93 -0.35 116.94 121.44 2jfb h PHE 71 Ca 0.28 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 2jfb h PHE 71 Cb 0.11 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2jfb h PHE 71 CO 0.01 0.49 0.28 0.28 -2.23 0.00 0.00 178.31 177.14 2jfb h VAL 72 N 0.34 1.19 -0.48 1.41 2.07 -0.79 -2.44 116.25 117.55 2jfb h VAL 72 Ca 0.10 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 2jfb h VAL 72 Cb 0.23 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2jfb h VAL 72 CO -0.00 0.21 -0.06 -0.33 0.02 0.00 0.00 177.57 177.40 2jfb h GLU 73 N 0.72 0.85 -0.64 1.57 4.39 -0.98 -2.24 114.58 118.25 2jfb h GLU 73 Ca 0.19 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 2jfb h GLU 73 Cb 0.09 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 2jfb h GLU 73 CO -0.03 0.89 0.12 -0.22 -1.16 0.00 0.00 179.01 178.61 2jfb h LYS 74 N 0.78 1.06 -0.37 2.33 3.64 -0.96 -1.81 116.57 121.24 2jfb h LYS 74 Ca 0.14 -0.28 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 2jfb h LYS 74 Cb 0.56 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2jfb h LYS 74 CO 0.03 0.97 -0.23 1.96 -2.27 0.00 0.00 179.45 179.92 2jfb h GLN 75 N 0.97 0.73 -0.87 1.90 1.08 -1.30 -1.02 115.11 116.61 2jfb h GLN 75 Ca 0.20 -0.29 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 2jfb h GLN 75 Cb 0.42 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.77 2jfb h GLN 75 CO 0.01 0.89 0.44 0.87 -0.95 0.00 0.00 178.83 180.09 2jfb h LYS 76 N 0.64 1.24 -0.39 1.46 1.57 -1.28 0.18 116.57 119.98 2jfb h LYS 76 Ca 0.09 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 2jfb h LYS 76 Cb 0.72 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2jfb h LYS 76 CO 0.06 0.94 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.69 2jfb h ARG 77 N 1.24 0.67 0.00 3.15 2.43 -0.89 -2.47 114.38 118.51 2jfb h ARG 77 Ca 0.30 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2jfb h ARG 77 Cb 0.09 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2jfb h ARG 77 CO -0.04 0.75 0.00 1.28 -1.51 0.00 0.00 179.97 180.45 2jfb n LEU 78 N -4.19 0.07 -0.37 3.80 4.32 -0.42 -4.91 117.00 115.29 2jfb n LEU 78 Ca 0.01 0.51 -0.04 0.00 -0.02 0.00 0.00 56.01 56.47 2jfb n LEU 78 Cb 0.33 -0.49 -0.01 0.00 -1.62 0.00 0.00 43.42 41.64 2jfb n LEU 78 CO 0.42 -0.02 -0.04 0.61 -1.22 0.00 0.00 177.39 177.13 2jfb n GLY 79 N 1.45 0.48 2.41 -0.72 0.00 -0.76 -4.98 105.19 103.07 2jfb n GLY 79 Ca 0.07 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 2jfb n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jfb n LYS 80 N -2.23 1.97 -1.93 1.61 4.76 0.55 -5.02 118.16 117.86 2jfb n LYS 80 Ca -0.04 -4.16 -0.37 0.00 -2.87 0.00 0.00 58.31 50.86 2jfb n LYS 80 Cb 0.31 -1.90 0.03 0.00 -1.84 0.00 0.00 35.03 31.63 2jfb n LYS 80 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2jfb s PRO 81 N -2.26 3.14 0.01 1.97 0.04 -1.22 -4.49 135.00 132.18 2jfb s PRO 81 Ca 0.40 2.01 -0.20 0.00 0.04 0.00 0.00 61.00 63.25 2jfb s PRO 81 Cb 0.20 -2.14 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2jfb s PRO 81 CO -0.07 -1.12 0.58 -0.51 0.04 0.00 0.00 177.00 175.92 2jfb s LEU 82 N -3.69 4.44 0.23 -3.56 1.43 -1.26 -4.66 118.68 111.60 2jfb s LEU 82 Ca 0.73 1.17 0.23 0.00 -1.03 0.00 0.00 54.13 55.23 2jfb s LEU 82 Cb -0.35 -2.91 0.18 0.00 0.03 0.00 0.00 46.19 43.14 2jfb s LEU 82 CO 0.40 0.14 1.25 0.44 0.23 0.00 0.00 176.35 178.80 2jfb h ASP 83 N 5.42 0.00 -4.95 2.29 3.32 -0.52 -3.48 116.42 118.51 2jfb h ASP 83 Ca -0.46 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 56.58 2jfb h ASP 83 Cb 1.20 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.64 2jfb h ASP 83 CO 0.68 0.03 0.31 0.00 -1.72 0.00 0.00 179.24 178.54 2jfb s ALA 84 N -3.28 -1.59 -0.00 3.45 0.00 -1.23 -4.23 121.76 114.88 2jfb s ALA 84 Ca 0.03 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.44 2jfb s ALA 84 Cb 0.10 0.75 -0.00 0.00 0.00 0.00 0.00 23.12 23.96 2jfb s ALA 84 CO 0.74 -0.83 -0.03 -1.50 0.00 0.00 0.00 175.76 174.15 2jfb s ILE 85 N -3.58 0.26 -0.49 0.00 2.07 -0.69 -1.60 121.20 117.16 2jfb s ILE 85 Ca 0.05 -0.13 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 2jfb s ILE 85 Cb -0.02 -0.23 0.13 0.00 0.13 0.00 0.00 42.46 42.47 2jfb s ILE 85 CO -0.07 0.08 0.25 -0.63 -1.91 0.00 0.00 174.94 172.66 2jfb s ILE 86 N -0.02 2.86 -0.04 2.00 1.01 0.65 -1.35 121.20 126.32 2jfb s ILE 86 Ca 0.01 -2.89 -0.30 0.00 0.00 0.00 0.00 60.65 57.47 2jfb s ILE 86 Cb -0.02 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 2jfb s ILE 86 CO -0.00 -0.76 1.40 -2.16 0.00 0.00 0.00 174.94 173.42 2jfb s PRO 87 N 0.18 4.26 -0.11 2.79 0.04 -1.24 -2.05 135.00 138.87 2jfb s PRO 87 Ca 0.15 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.15 2jfb s PRO 87 Cb -0.23 -3.66 -0.00 0.00 0.04 0.00 0.00 34.50 30.64 2jfb s PRO 87 CO -0.03 -0.63 -0.21 0.42 0.04 0.00 0.00 177.00 176.60 2jfb s ILE 88 N 2.80 2.38 0.05 0.56 1.01 0.11 -2.14 121.20 125.97 2jfb s ILE 88 Ca 0.63 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 60.22 2jfb s ILE 88 Cb -0.30 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.26 2jfb s ILE 88 CO 0.25 0.55 0.35 -0.83 0.00 0.00 0.00 174.94 175.26 2jfb s GLY 89 N 0.33 -0.19 -0.17 6.18 0.00 -0.79 -1.27 107.32 111.42 2jfb s GLY 89 Ca -0.16 0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.65 2jfb s GLY 89 CO 0.08 -0.15 -0.13 0.14 0.00 0.00 0.00 173.10 173.04 2jfb s VAL 90 N -2.71 1.65 -0.21 1.40 1.01 -1.26 -0.37 120.40 119.92 2jfb s VAL 90 Ca -0.04 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2jfb s VAL 90 Cb -0.00 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.77 2jfb s VAL 90 CO -0.04 0.35 -0.12 -0.76 0.00 0.00 0.00 175.10 174.53 2jfb s LEU 91 N 1.43 2.60 -0.13 3.92 1.43 0.74 -4.83 118.68 123.83 2jfb s LEU 91 Ca 0.02 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2jfb s LEU 91 Cb -0.14 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 2jfb s LEU 91 CO -0.10 -0.03 -0.09 -0.63 0.23 0.00 0.00 176.35 175.73 2jfb s ILE 92 N 1.37 3.46 0.02 -0.59 -1.09 -1.26 -0.73 121.20 122.38 2jfb s ILE 92 Ca 0.04 -0.52 -0.30 0.00 -2.23 0.00 0.00 60.65 57.64 2jfb s ILE 92 Cb -0.14 -2.48 -0.08 0.00 -1.58 0.00 0.00 42.46 38.18 2jfb s ILE 92 CO -0.08 0.52 1.86 -0.75 -1.23 0.00 0.00 174.94 175.27 2jfb s LYS 93 N 0.21 4.15 0.00 2.79 2.47 -0.07 -4.84 119.74 124.45 2jfb s LYS 93 Ca -0.05 2.49 0.00 0.00 -1.56 0.00 0.00 55.97 56.85 2jfb s LYS 93 Cb -0.15 -4.06 0.00 0.00 -1.46 0.00 0.00 37.83 32.16 2jfb s LYS 93 CO 0.04 -0.91 0.00 0.41 0.16 0.00 0.00 175.35 175.05 2jfb n GLY 94 N 4.40 2.15 0.12 5.54 0.00 -1.26 -4.79 105.19 111.34 2jfb n GLY 94 Ca 0.19 -1.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.20 2jfb n GLY 94 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jfb h SER 95 N 0.00 0.47 -3.70 1.61 0.02 -2.01 -3.48 113.55 106.45 2jfb h SER 95 Ca 0.00 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 2jfb h SER 95 Cb 0.00 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2jfb h SER 95 CO 0.00 1.48 0.00 0.35 -1.14 0.00 0.00 176.83 177.52 2jfb n THR 96 N -3.51 0.00 1.30 -2.27 -2.24 -1.26 -5.01 114.28 101.29 2jfb n THR 96 Ca -0.15 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.74 2jfb n THR 96 Cb 1.05 -1.12 0.41 0.00 -2.10 0.00 0.00 70.33 68.57 2jfb n THR 96 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2jfb n MET 97 N -0.97 1.70 -0.17 -0.78 0.00 -1.26 -4.38 117.12 111.25 2jfb n MET 97 Ca 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 57.70 56.64 2jfb n MET 97 Cb 0.00 -1.41 0.06 0.00 0.00 0.00 0.00 33.22 31.87 2jfb n MET 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2jfb h HIS 98 N 2.19 -0.13 -0.38 2.03 -0.00 -1.97 -1.89 115.15 115.00 2jfb h HIS 98 Ca 0.00 0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.49 2jfb h HIS 98 Cb 0.48 0.14 -0.08 0.00 -0.00 0.00 0.00 27.41 27.94 2jfb h HIS 98 CO 0.08 -0.17 -0.22 0.35 -0.00 0.00 0.00 177.93 177.97 2jfb h PHE 99 N 0.07 -0.55 -0.21 5.26 3.57 -1.89 -1.87 116.94 121.32 2jfb h PHE 99 Ca 0.27 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.83 2jfb h PHE 99 Cb 0.42 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 2jfb h PHE 99 CO -0.38 -0.29 0.12 0.93 -2.23 0.00 0.00 178.31 176.46 2jfb h GLU 100 N -0.15 0.24 0.01 1.11 3.07 -1.66 -1.49 114.58 115.71 2jfb h GLU 100 Ca 0.19 -0.01 -0.20 0.00 -0.50 0.00 0.00 59.36 58.83 2jfb h GLU 100 Cb 0.44 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 2jfb h GLU 100 CO -0.47 0.16 -0.91 1.88 -1.40 0.00 0.00 179.01 178.26 2jfb h TYR 101 N 0.25 0.16 -0.22 4.33 0.05 -1.33 -1.43 116.97 118.76 2jfb h TYR 101 Ca 0.08 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 2jfb h TYR 101 Cb 0.00 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 37.72 2jfb h TYR 101 CO -0.08 0.95 -0.15 0.82 -1.05 0.00 0.00 178.16 178.65 2jfb h ILE 102 N 0.05 1.31 -0.24 -2.88 1.08 -1.33 -2.72 117.51 112.79 2jfb h ILE 102 Ca -0.03 -1.27 0.05 0.00 -0.39 0.00 0.00 64.86 63.21 2jfb h ILE 102 Cb 1.58 1.65 -0.04 0.00 -3.07 0.00 0.00 36.82 36.93 2jfb h ILE 102 CO 0.13 0.39 -0.05 0.00 -0.69 0.00 0.00 178.15 177.93 2jfb h ASP 104 N 0.01 -0.25 -0.43 0.00 3.58 -1.27 -1.32 116.42 116.74 2jfb h ASP 104 Ca 0.11 -0.14 -0.15 0.00 0.42 0.00 0.00 57.03 57.28 2jfb h ASP 104 Cb 0.17 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2jfb h ASP 104 CO -0.23 -0.00 -0.30 0.77 -2.88 0.00 0.00 179.24 176.59 2jfb h SER 105 N -0.49 1.02 0.04 2.28 4.64 -1.53 -2.70 113.55 116.81 2jfb h SER 105 Ca -0.03 -0.43 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2jfb h SER 105 Cb 0.37 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2jfb h SER 105 CO 0.05 1.23 -0.02 0.74 -0.87 0.00 0.00 176.83 177.96 2jfb h THR 106 N 0.81 1.07 -0.18 2.95 2.02 -1.39 -1.79 112.91 116.39 2jfb h THR 106 Ca 0.08 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 66.96 2jfb h THR 106 Cb 0.89 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.56 2jfb h THR 106 CO 0.08 0.09 -0.09 0.74 0.37 0.00 0.00 175.52 176.71 2jfb h THR 107 N -0.21 0.71 -0.70 3.16 2.02 -1.25 0.42 112.91 117.07 2jfb h THR 107 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jfb h THR 107 Cb 0.19 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 2jfb h THR 107 CO 0.01 0.00 0.45 0.45 0.37 0.00 0.00 175.52 176.80 2jfb h HIS 108 N -0.08 0.89 -0.23 3.16 3.86 -1.47 -1.22 115.15 120.06 2jfb h HIS 108 Ca 0.10 0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.16 2jfb h HIS 108 Cb 0.22 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 2jfb h HIS 108 CO -0.24 0.57 -0.53 1.96 0.86 0.00 0.00 177.93 180.55 2jfb h GLN 109 N 0.95 0.66 -0.73 2.45 1.08 -0.99 -1.46 115.11 117.06 2jfb h GLN 109 Ca 0.25 -0.40 -0.06 0.00 -1.45 0.00 0.00 58.65 56.99 2jfb h GLN 109 Cb -0.09 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 2jfb h GLN 109 CO -0.05 1.02 0.20 -0.07 -0.95 0.00 0.00 178.83 178.98 2jfb h LEU 110 N 0.51 1.08 -0.04 1.46 3.38 -0.79 0.67 115.31 121.58 2jfb h LEU 110 Ca 0.02 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.78 2jfb h LEU 110 Cb 1.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2jfb h LEU 110 CO 0.11 1.02 -0.04 -0.03 0.09 0.00 0.00 178.44 179.58 2jfb h MET 111 N 1.09 -0.05 -0.23 1.13 4.05 -1.10 -2.84 114.93 116.99 2jfb h MET 111 Ca 0.23 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.62 2jfb h MET 111 Cb 0.34 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 2jfb h MET 111 CO -0.00 -0.03 -0.03 0.87 0.23 0.00 0.00 176.91 177.94 2jfb h LYS 112 N -0.05 0.34 -0.78 0.39 1.57 -0.99 -2.99 116.57 114.05 2jfb h LYS 112 Ca 0.03 -0.06 0.17 0.00 -1.87 0.00 0.00 60.65 58.92 2jfb h LYS 112 Cb 0.10 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 2jfb h LYS 112 CO -0.08 0.39 0.53 -0.07 -0.57 0.00 0.00 179.45 179.66 2jfb h LEU 113 N 0.33 0.33 -0.80 2.94 4.07 -0.61 -0.57 115.31 121.01 2jfb h LEU 113 Ca 0.07 0.02 0.19 0.00 0.08 0.00 0.00 57.88 58.25 2jfb h LEU 113 Cb 0.27 -0.04 -0.13 0.00 1.08 0.00 0.00 40.66 41.84 2jfb h LEU 113 CO 0.01 0.16 0.15 0.78 -1.08 0.00 0.00 178.44 178.46 2jfb h ASN 114 N 0.34 -0.09 1.08 -0.43 2.35 -1.56 0.15 115.58 117.42 2jfb h ASN 114 Ca 0.39 0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 56.23 2jfb h ASN 114 Cb 1.01 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.63 2jfb h ASN 114 CO -0.12 -0.12 -0.97 -0.26 -1.65 0.00 0.00 177.43 174.32 2jfb h PHE 115 N 0.20 0.00 0.09 1.19 -1.00 -1.32 -2.41 116.94 113.70 2jfb h PHE 115 Ca 0.46 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 61.04 2jfb h PHE 115 Cb 0.86 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.42 2jfb h PHE 115 CO -0.31 0.34 -1.00 0.93 -1.61 0.00 0.00 178.31 176.66 2jfb h GLU 116 N 0.00 0.20 0.00 1.51 5.08 -1.12 -3.36 114.58 116.89 2jfb h GLU 116 Ca -0.07 -0.34 -0.10 0.00 -1.00 0.00 0.00 59.36 57.84 2jfb h GLU 116 Cb 1.32 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 2jfb h GLU 116 CO 0.03 1.16 -0.50 -0.07 -1.00 0.00 0.00 179.01 178.64 2jfb h LEU 117 N -0.50 0.00 0.06 1.33 3.38 -0.84 -3.47 115.31 115.26 2jfb h LEU 117 Ca -0.21 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2jfb h LEU 117 Cb 1.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 2jfb h LEU 117 CO 0.05 0.50 -0.02 0.61 0.09 0.00 0.00 178.44 179.67 2jfb n GLY 118 N 0.73 0.47 3.20 0.83 0.00 -0.91 -5.02 105.19 104.49 2jfb n GLY 118 Ca 0.01 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 2jfb n GLY 118 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jfb s ILE 119 N -1.84 1.19 0.23 -0.61 -4.36 -1.23 -5.05 121.20 109.54 2jfb s ILE 119 Ca 0.00 -1.50 -0.32 0.00 -0.26 0.00 0.00 60.65 58.57 2jfb s ILE 119 Cb 0.00 -1.29 -0.12 0.00 1.25 0.00 0.00 42.46 42.30 2jfb s ILE 119 CO 0.00 -0.33 1.65 -2.65 0.24 0.00 0.00 174.94 173.86 2jfb n PRO 120 N 0.92 2.65 -3.86 0.37 -0.02 -1.26 -4.40 135.00 129.41 2jfb n PRO 120 Ca -0.18 0.95 -0.36 0.00 -2.02 0.00 0.00 63.50 61.89 2jfb n PRO 120 Cb 0.56 -2.76 -0.13 0.00 -0.02 0.00 0.00 33.50 31.14 2jfb n PRO 120 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jfb s VAL 121 N 0.70 3.16 -0.12 -1.45 1.01 -1.26 -1.71 120.40 120.73 2jfb s VAL 121 Ca 0.71 -1.54 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 2jfb s VAL 121 Cb -0.53 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2jfb s VAL 121 CO 0.39 -0.27 0.83 -0.63 0.00 0.00 0.00 175.10 175.41 2jfb s ILE 122 N 1.24 4.92 -0.65 2.22 -1.09 -0.46 -4.89 121.20 122.49 2jfb s ILE 122 Ca -0.01 1.66 -0.26 0.00 -2.23 0.00 0.00 60.65 59.81 2jfb s ILE 122 Cb -0.20 -4.15 -0.01 0.00 -1.58 0.00 0.00 42.46 36.52 2jfb s ILE 122 CO -0.01 0.10 1.74 0.12 -1.23 0.00 0.00 174.94 175.66 2jfb s PHE 123 N 1.64 1.80 -0.38 3.97 5.36 -1.26 -3.72 117.98 125.38 2jfb s PHE 123 Ca 0.40 0.60 0.06 0.00 -0.96 0.00 0.00 56.93 57.03 2jfb s PHE 123 Cb -0.18 -4.20 0.51 0.00 -0.34 0.00 0.00 43.02 38.82 2jfb s PHE 123 CO 0.16 -2.24 1.58 0.41 -1.46 0.00 0.00 175.22 173.67 2jfb n GLY 124 N 5.69 5.27 3.50 13.12 0.00 -0.91 -4.97 105.19 126.89 2jfb n GLY 124 Ca 0.18 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 2jfb n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jfb s VAL 125 N -3.75 4.84 0.01 1.61 1.01 -1.26 -1.88 120.40 120.99 2jfb s VAL 125 Ca 0.51 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.01 2jfb s VAL 125 Cb 0.44 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2jfb s VAL 125 CO 0.02 0.16 0.99 -0.76 0.00 0.00 0.00 175.10 175.51 2jfb s LEU 126 N 1.67 4.38 -0.62 3.92 1.43 0.50 -4.94 118.68 125.03 2jfb s LEU 126 Ca 0.06 1.69 0.04 0.00 -1.03 0.00 0.00 54.13 54.90 2jfb s LEU 126 Cb -0.16 -3.57 0.16 0.00 0.03 0.00 0.00 46.19 42.64 2jfb s LEU 126 CO 0.08 -0.25 0.41 0.42 0.23 0.00 0.00 176.35 177.23 2jfb s THR 127 N 0.91 2.49 0.19 5.49 -4.23 -1.26 -0.19 115.64 119.04 2jfb s THR 127 Ca 0.52 -3.79 0.07 0.00 -1.18 0.00 0.00 61.69 57.31 2jfb s THR 127 Cb -0.22 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.92 2jfb s THR 127 CO 0.28 -0.97 0.01 0.00 -0.54 0.00 0.00 174.62 173.41 2jfb h LEU 129 N 2.53 0.00 -8.58 0.00 3.38 -1.92 -0.15 115.31 110.58 2jfb h LEU 129 Ca -0.47 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.21 2jfb h LEU 129 Cb 1.21 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.81 2jfb h LEU 129 CO 0.59 0.94 -0.71 0.42 0.09 0.00 0.00 178.44 179.77 2jfb s THR 130 N -2.71 1.02 0.37 0.22 -4.23 -1.26 -3.88 115.64 105.17 2jfb s THR 130 Ca -0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 2jfb s THR 130 Cb 0.09 -1.77 0.18 0.00 1.34 0.00 0.00 72.50 72.35 2jfb s THR 130 CO 0.81 -0.77 1.93 0.44 -0.54 0.00 0.00 174.62 176.49 2jfb h ASP 131 N 2.89 0.38 -0.46 3.99 3.32 -1.94 -2.98 116.42 121.61 2jfb h ASP 131 Ca -0.36 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 2jfb h ASP 131 Cb 1.18 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 2jfb h ASP 131 CO 0.63 0.45 0.28 -0.33 -1.72 0.00 0.00 179.24 178.55 2jfb h GLU 132 N 0.40 0.63 -0.64 3.56 3.07 -1.99 -2.13 114.58 117.48 2jfb h GLU 132 Ca 0.09 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 58.91 2jfb h GLU 132 Cb 0.27 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.01 2jfb h GLU 132 CO 0.01 0.46 0.41 1.96 -1.40 0.00 0.00 179.01 180.44 2jfb h GLN 133 N 0.62 0.78 -0.56 2.33 4.20 -1.95 -1.33 115.11 119.21 2jfb h GLN 133 Ca 0.17 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 2jfb h GLN 133 Cb -0.00 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 2jfb h GLN 133 CO -0.03 0.52 -0.06 0.00 -0.67 0.00 0.00 178.83 178.59 2jfb h ALA 134 N 1.26 0.84 -0.81 3.87 0.00 -1.54 -1.91 119.26 120.97 2jfb h ALA 134 Ca 0.25 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2jfb h ALA 134 Cb -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2jfb h ALA 134 CO -0.09 0.66 0.38 0.93 0.00 0.00 0.00 179.25 181.13 2jfb h GLU 135 N 0.91 1.18 -0.61 0.00 5.08 -1.03 -1.50 114.58 118.61 2jfb h GLU 135 Ca 0.15 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2jfb h GLU 135 Cb 0.61 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2jfb h GLU 135 CO 0.04 0.92 0.08 0.00 -1.00 0.00 0.00 179.01 179.04 2jfb h ALA 136 N 1.20 0.98 -0.07 3.43 0.00 -1.11 -0.72 119.26 122.98 2jfb h ALA 136 Ca 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jfb h ALA 136 Cb 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2jfb h ALA 136 CO -0.03 0.64 0.00 0.54 0.00 0.00 0.00 179.25 180.40 2jfb n ARG 137 N -4.21 1.31 -0.07 0.00 1.74 -0.73 -2.45 116.66 112.24 2jfb n ARG 137 Ca 0.04 -0.46 0.05 0.00 -0.77 0.00 0.00 57.85 56.70 2jfb n ARG 137 Cb 0.29 -1.33 0.08 0.00 -1.02 0.00 0.00 32.46 30.48 2jfb n ARG 137 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jfb n ALA 138 N -0.32 2.31 -2.08 7.54 0.00 -0.60 -1.30 120.51 126.05 2jfb n ALA 138 Ca 0.15 -0.85 -0.10 0.00 0.00 0.00 0.00 53.44 52.64 2jfb n ALA 138 Cb 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 19.45 19.29 2jfb n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jfb n GLY 139 N 0.41 0.10 0.53 0.00 0.00 -1.02 -4.52 105.19 100.68 2jfb n GLY 139 Ca 0.07 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.73 2jfb n GLY 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jfb n LEU 140 N -1.37 1.83 -4.19 0.99 4.77 -0.30 -4.83 117.00 113.91 2jfb n LEU 140 Ca -0.11 -0.61 -0.33 0.00 -0.03 0.00 0.00 56.01 54.93 2jfb n LEU 140 Cb 0.56 -0.03 -0.16 0.00 -2.33 0.00 0.00 43.42 41.45 2jfb n LEU 140 CO 0.14 0.32 -0.53 -0.63 -1.33 0.00 0.00 177.39 175.35 2jfb s ILE 141 N -2.25 2.15 0.10 -0.08 1.01 -1.25 -4.96 121.20 115.92 2jfb s ILE 141 Ca 0.28 -0.95 -0.32 0.00 0.00 0.00 0.00 60.65 59.66 2jfb s ILE 141 Cb 0.20 -1.87 -0.11 0.00 0.01 0.00 0.00 42.46 40.69 2jfb s ILE 141 CO 0.43 0.54 1.82 1.21 0.00 0.00 0.00 174.94 178.94 2jfb n GLU 142 N 4.06 2.63 -0.94 2.79 2.13 -1.26 -2.75 120.64 127.30 2jfb n GLU 142 Ca -0.20 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.58 2jfb n GLU 142 Cb 0.52 -2.83 0.00 0.00 0.27 0.00 0.00 31.44 29.39 2jfb n GLU 142 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jfb n GLY 143 N 4.16 0.52 3.17 8.31 0.00 -1.26 -4.98 105.19 115.11 2jfb n GLY 143 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2jfb n GLY 143 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jfb s LYS 144 N -0.43 2.31 4.39 1.61 2.20 -1.11 -5.06 119.74 123.65 2jfb s LYS 144 Ca 0.00 -1.43 0.00 0.00 -0.36 0.00 0.00 55.97 54.18 2jfb s LYS 144 Cb 0.00 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 2jfb s LYS 144 CO 0.00 -0.76 0.00 -1.33 -0.36 0.00 0.00 175.35 172.90 2jfb n MET 145 N 4.63 0.00 -4.02 4.03 2.81 -1.26 -4.74 117.12 118.57 2jfb n MET 145 Ca -0.10 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.68 2jfb n MET 145 Cb 0.43 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.90 2jfb n MET 145 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 2jfb s HIS 146 N 0.00 0.71 -0.37 2.03 -3.43 -1.26 -4.97 115.29 108.00 2jfb s HIS 146 Ca 0.00 -1.04 -0.29 0.00 -0.80 0.00 0.00 55.06 52.93 2jfb s HIS 146 Cb 0.00 0.12 0.02 0.00 -1.43 0.00 0.00 32.58 31.29 2jfb s HIS 146 CO 0.00 -1.13 1.10 1.21 -2.00 0.00 0.00 174.74 173.92 2jfb s ASN 147 N -3.14 6.83 0.32 7.38 3.84 -1.26 -3.47 114.94 125.45 2jfb s ASN 147 Ca 0.26 0.88 0.26 0.00 0.21 0.00 0.00 52.86 54.47 2jfb s ASN 147 Cb -0.01 -2.55 1.06 0.00 -0.55 0.00 0.00 41.25 39.20 2jfb s ASN 147 CO 0.15 -1.00 1.78 0.45 -2.79 0.00 0.00 177.10 175.69 2jfb h HIS 148 N 8.48 0.00 -0.21 0.43 3.86 -1.50 -2.89 115.15 123.32 2jfb h HIS 148 Ca -0.21 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.96 2jfb h HIS 148 Cb 1.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 2jfb h HIS 148 CO 0.88 0.00 -0.04 0.78 0.86 0.00 0.00 177.93 180.41 2jfb h GLY 149 N 2.32 0.33 0.90 2.45 0.00 -1.79 -2.88 103.07 104.41 2jfb h GLY 149 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 2jfb h GLY 149 CO 0.00 0.17 0.02 0.83 0.00 0.00 0.00 176.54 177.56 2jfb h GLU 150 N 0.30 0.57 -0.94 4.80 5.08 -1.61 -1.99 114.58 120.78 2jfb h GLU 150 Ca 0.07 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2jfb h GLU 150 Cb 0.26 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 2jfb h GLU 150 CO 0.01 0.68 0.61 -0.44 -1.00 0.00 0.00 179.01 178.87 2jfb h ASP 151 N 0.38 0.92 0.19 1.42 3.32 -1.67 -1.19 116.42 119.78 2jfb h ASP 151 Ca 0.10 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 2jfb h ASP 151 Cb 0.41 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2jfb h ASP 151 CO 0.01 0.56 -0.48 -0.50 -1.72 0.00 0.00 179.24 177.11 2jfb h TRP 152 N 1.02 0.42 -0.23 4.55 6.55 -1.30 -0.16 115.95 126.80 2jfb h TRP 152 Ca 0.43 -0.14 -0.02 0.00 0.95 0.00 0.00 58.89 60.11 2jfb h TRP 152 Cb 0.30 -0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 28.50 2jfb h TRP 152 CO -0.00 0.77 0.08 0.78 -1.05 0.00 0.00 178.44 179.02 2jfb h GLY 153 N 1.24 0.38 1.02 1.49 0.00 -0.61 -1.48 103.07 105.10 2jfb h GLY 153 Ca 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2jfb h GLY 153 CO 0.08 0.20 0.41 0.00 0.00 0.00 0.00 176.54 177.23 2jfb h ALA 154 N 0.91 1.01 -0.44 3.60 0.00 -1.06 -2.84 119.26 120.44 2jfb h ALA 154 Ca 0.07 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2jfb h ALA 154 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2jfb h ALA 154 CO -0.00 0.55 -0.19 0.00 0.00 0.00 0.00 179.25 179.60 2jfb h ALA 155 N 1.21 0.84 -0.46 0.00 0.00 -0.93 -1.89 119.26 118.03 2jfb h ALA 155 Ca 0.27 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jfb h ALA 155 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2jfb h ALA 155 CO -0.04 0.64 0.29 0.00 0.00 0.00 0.00 179.25 180.14 2jfb h ALA 156 N 1.03 0.58 -0.40 0.00 0.00 -1.15 -0.94 119.26 118.38 2jfb h ALA 156 Ca 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2jfb h ALA 156 Cb 0.72 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2jfb h ALA 156 CO 0.06 0.05 0.09 0.28 0.00 0.00 0.00 179.25 179.72 2jfb h VAL 157 N 0.61 1.23 -0.10 0.00 2.07 -1.38 -2.77 116.25 115.92 2jfb h VAL 157 Ca 0.17 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 2jfb h VAL 157 Cb -0.03 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2jfb h VAL 157 CO -0.03 0.28 0.02 -0.08 0.02 0.00 0.00 177.57 177.78 2jfb h GLU 158 N 0.52 0.16 -0.04 1.57 4.81 -1.17 -2.75 114.58 117.68 2jfb h GLU 158 Ca 0.13 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2jfb h GLU 158 Cb 0.34 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2jfb h GLU 158 CO 0.00 0.35 -0.30 0.52 -0.73 0.00 0.00 179.01 178.85 2jfb h MET 159 N -0.07 0.06 0.00 1.92 2.86 -1.22 0.63 114.93 119.12 2jfb h MET 159 Ca 0.03 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2jfb h MET 159 Cb 0.27 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2jfb h MET 159 CO 0.00 0.36 -0.04 0.00 1.06 0.00 0.00 176.91 178.30 2jfb n ALA 160 N -2.48 2.32 -0.04 6.32 0.00 -1.04 -4.38 120.51 121.21 2jfb n ALA 160 Ca -0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 2jfb n ALA 160 Cb 0.36 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.32 2jfb n ALA 160 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jfb n THR 161 N -2.22 0.49 -0.15 0.00 -1.04 -0.86 -4.80 114.28 105.70 2jfb n THR 161 Ca 0.06 -0.20 0.09 0.00 -2.04 0.00 0.00 64.05 61.96 2jfb n THR 161 Cb 0.43 -0.81 0.42 0.00 -1.82 0.00 0.00 70.33 68.55 2jfb n THR 161 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2jfb h LYS 162 N 0.00 0.58 -0.19 -2.82 3.64 -1.10 -3.13 116.57 113.55 2jfb h LYS 162 Ca -0.19 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2jfb h LYS 162 Cb 1.31 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2jfb h LYS 162 CO -0.03 0.38 0.00 1.19 -2.27 0.00 0.00 179.45 178.73 2jfb n PHE 163 N -4.48 0.23 1.15 1.91 3.01 -1.26 -5.14 117.46 112.87 2jfb n PHE 163 Ca 0.11 -0.19 0.13 0.00 1.01 0.00 0.00 57.45 58.50 2jfb n PHE 163 Cb 0.32 -0.01 0.22 0.00 -0.01 0.00 0.00 39.48 40.00 2jfb n PHE 163 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04