#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfb s TYR 13 N 0.00 3.73 -0.26 2.13 1.51 -1.26 -5.03 117.35 118.17 2jfb s TYR 13 Ca 0.00 1.73 -0.10 0.00 -1.01 0.00 0.00 57.07 57.70 2jfb s TYR 13 Cb 0.00 -3.17 -0.04 0.00 -0.11 0.00 0.00 41.96 38.64 2jfb s TYR 13 CO 0.00 -0.19 0.14 0.34 -1.11 0.00 0.00 175.55 174.73 2jfb s ASP 14 N -0.47 5.72 0.00 2.29 3.68 -1.26 -4.84 116.67 121.78 2jfb s ASP 14 Ca 0.46 -0.05 0.08 0.00 2.13 0.00 0.00 52.55 55.17 2jfb s ASP 14 Cb -0.28 -2.04 0.06 0.00 -1.45 0.00 0.00 42.92 39.21 2jfb s ASP 14 CO 0.34 -0.02 0.75 0.61 0.13 0.00 0.00 175.17 176.99 2jfb n GLY 15 N 4.82 -0.58 0.33 2.66 0.00 0.14 -4.71 105.19 107.86 2jfb n GLY 15 Ca -0.15 -0.24 0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 1.60 0.00 -0.10 1.61 4.64 -1.70 0.19 113.55 119.78 2jfb h SER 16 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jfb h SER 16 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2jfb h SER 16 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2jfb n LYS 17 N -3.79 2.30 -3.51 4.77 5.02 -1.26 -4.59 118.16 117.10 2jfb n LYS 17 Ca 0.01 -1.97 -0.29 0.00 -2.02 0.00 0.00 58.31 54.04 2jfb n LYS 17 Cb 0.31 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.86 4.15 -0.21 -0.35 1.43 0.05 -5.09 118.68 116.81 2jfb s LEU 18 Ca 0.30 0.60 0.01 0.00 -1.03 0.00 0.00 54.13 54.01 2jfb s LEU 18 Cb 0.20 -3.38 0.04 0.00 0.03 0.00 0.00 46.19 43.08 2jfb s LEU 18 CO 0.30 -0.10 -0.12 -0.60 0.23 0.00 0.00 176.35 176.06 2jfb s ARG 19 N -3.31 2.19 -0.13 1.70 3.52 -1.26 -4.64 118.95 117.02 2jfb s ARG 19 Ca 0.42 -0.92 -0.00 0.00 -0.13 0.00 0.00 55.73 55.10 2jfb s ARG 19 Cb -0.11 -2.51 -0.02 0.00 -1.56 0.00 0.00 34.95 30.76 2jfb s ARG 19 CO 0.28 -0.42 -0.12 0.42 -0.81 0.00 0.00 175.30 174.65 2jfb s ILE 20 N 1.34 3.13 -0.05 4.11 -1.09 0.46 0.25 121.20 129.35 2jfb s ILE 20 Ca -0.02 -0.63 -0.04 0.00 -2.23 0.00 0.00 60.65 57.73 2jfb s ILE 20 Cb -0.16 -2.32 -0.04 0.00 -1.58 0.00 0.00 42.46 38.36 2jfb s ILE 20 CO -0.08 0.52 0.15 -0.83 -1.23 0.00 0.00 174.94 173.47 2jfb s GLY 21 N 0.35 2.15 -0.14 6.18 0.00 -0.42 -1.64 107.32 113.80 2jfb s GLY 21 Ca -0.10 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 43.89 2jfb s GLY 21 CO 0.05 -0.57 -0.16 -0.42 0.00 0.00 0.00 173.10 172.01 2jfb s ILE 22 N -1.20 1.64 -0.26 0.90 1.01 0.93 -0.16 121.20 124.05 2jfb s ILE 22 Ca 0.22 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.20 2jfb s ILE 22 Cb -0.12 -1.51 0.05 0.00 0.01 0.00 0.00 42.46 40.90 2jfb s ILE 22 CO 0.13 0.47 -0.10 -0.22 0.00 0.00 0.00 174.94 175.21 2jfb s LEU 23 N 1.22 3.38 0.09 2.97 2.96 -0.89 -1.20 118.68 127.21 2jfb s LEU 23 Ca -0.00 -1.31 0.08 0.00 -0.22 0.00 0.00 54.13 52.67 2jfb s LEU 23 Cb -0.14 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 2jfb s LEU 23 CO -0.07 -0.18 -0.14 -1.38 -1.32 0.00 0.00 176.35 173.26 2jfb s HIS 24 N 1.14 2.64 0.91 5.38 -3.43 -0.75 -0.12 115.29 121.06 2jfb s HIS 24 Ca -0.07 -0.21 -0.12 0.00 -0.80 0.00 0.00 55.06 53.86 2jfb s HIS 24 Cb -0.19 -1.41 0.14 0.00 -1.43 0.00 0.00 32.58 29.68 2jfb s HIS 24 CO -0.05 0.38 1.11 0.00 -2.00 0.00 0.00 174.74 174.18 2jfb s ALA 25 N -1.13 1.61 -0.46 -1.38 0.00 -0.48 -1.24 121.76 118.69 2jfb s ALA 25 Ca 0.19 -0.38 0.09 0.00 0.00 0.00 0.00 51.96 51.85 2jfb s ALA 25 Cb -0.11 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 2jfb s ALA 25 CO 0.11 -2.34 0.39 0.54 0.00 0.00 0.00 175.76 174.45 2jfb n ARG 26 N -3.83 3.92 -2.45 0.00 1.74 -0.97 -4.82 116.66 110.26 2jfb n ARG 26 Ca 0.06 -0.07 -0.40 0.00 -0.77 0.00 0.00 57.85 56.67 2jfb n ARG 26 Cb 0.58 -0.92 -0.04 0.00 -1.02 0.00 0.00 32.46 31.06 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 -1.74 3.51 -1.19 -1.55 0.52 -1.24 -3.61 118.94 113.65 2jfb s TRP 27 Ca 0.04 1.67 -0.03 0.00 0.02 0.00 0.00 56.10 57.80 2jfb s TRP 27 Cb 0.07 -3.30 -0.02 0.00 -1.15 0.00 0.00 33.47 29.07 2jfb s TRP 27 CO 0.34 -0.66 0.88 0.09 0.02 0.00 0.00 176.95 177.62 2jfb n ASN 28 N 1.04 -3.17 -0.34 2.95 3.02 -1.26 -4.66 115.26 112.84 2jfb n ASN 28 Ca -0.00 -0.73 0.03 0.00 -0.03 0.00 0.00 54.58 53.85 2jfb n ASN 28 Cb 0.45 -4.74 0.18 0.00 -0.61 0.00 0.00 39.78 35.06 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 -1.69 0.99 -0.40 3.52 9.65 -1.91 -1.82 114.38 122.72 2jfb h ARG 29 Ca -0.61 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 58.26 2jfb h ARG 29 Cb 1.34 -0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 29.65 2jfb h ARG 29 CO 0.50 0.65 0.15 -0.22 2.80 0.00 0.00 179.97 183.86 2jfb h LYS 30 N 1.02 0.31 -0.24 0.20 3.64 -1.92 0.31 116.57 119.89 2jfb h LYS 30 Ca 0.42 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.60 2jfb h LYS 30 Cb 0.26 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2jfb h LYS 30 CO -0.20 0.20 -0.59 0.82 -2.27 0.00 0.00 179.45 177.42 2jfb h ILE 31 N 0.32 1.29 -0.27 2.00 2.04 -1.86 -3.04 117.51 117.99 2jfb h ILE 31 Ca 0.18 -1.79 0.04 0.00 1.00 0.00 0.00 64.86 64.29 2jfb h ILE 31 Cb 0.16 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 2jfb h ILE 31 CO -0.18 0.58 0.04 0.40 0.00 0.00 0.00 178.15 178.99 2jfb h ILE 32 N 0.59 0.86 -0.82 -0.67 1.08 -0.87 -2.69 117.51 114.99 2jfb h ILE 32 Ca 0.00 -0.05 0.04 0.00 -0.39 0.00 0.00 64.86 64.47 2jfb h ILE 32 Cb 1.18 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 35.59 2jfb h ILE 32 CO 0.12 0.03 0.52 0.44 -0.69 0.00 0.00 178.15 178.57 2jfb h ASP 33 N 0.14 0.83 -0.63 1.72 3.32 -0.36 -0.80 116.42 120.65 2jfb h ASP 33 Ca 0.13 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 2jfb h ASP 33 Cb 0.14 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2jfb h ASP 33 CO -0.18 0.56 0.10 0.00 -1.72 0.00 0.00 179.24 178.00 2jfb h ALA 34 N 1.36 0.95 -0.43 3.45 0.00 -1.41 -0.41 119.26 122.78 2jfb h ALA 34 Ca 0.34 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2jfb h ALA 34 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2jfb h ALA 34 CO -0.14 0.65 -0.24 -0.07 0.00 0.00 0.00 179.25 179.45 2jfb h LEU 35 N 1.00 0.95 -0.15 0.00 3.38 -1.10 -1.70 115.31 117.69 2jfb h LEU 35 Ca 0.20 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2jfb h LEU 35 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2jfb h LEU 35 CO 0.01 1.16 0.08 0.58 0.09 0.00 0.00 178.44 180.36 2jfb h VAL 36 N 0.74 1.11 -0.72 1.22 2.07 -1.03 -1.16 116.25 118.49 2jfb h VAL 36 Ca 0.09 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2jfb h VAL 36 Cb 0.82 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2jfb h VAL 36 CO 0.07 0.10 0.46 0.00 0.02 0.00 0.00 177.57 178.22 2jfb h ALA 37 N 0.96 1.46 -0.44 1.67 0.00 -1.01 0.11 119.26 122.01 2jfb h ALA 37 Ca 0.05 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2jfb h ALA 37 Cb 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2jfb h ALA 37 CO -0.01 0.49 -0.02 0.78 0.00 0.00 0.00 179.25 180.49 2jfb h GLY 38 N 0.99 0.86 1.18 0.00 0.00 -1.15 -0.35 103.07 104.59 2jfb h GLY 38 Ca 0.26 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 2jfb h GLY 38 CO -0.05 0.60 0.13 0.00 0.00 0.00 0.00 176.54 177.21 2jfb h ALA 39 N 0.89 1.03 -0.30 3.60 0.00 -0.42 -2.20 119.26 121.87 2jfb h ALA 39 Ca 0.12 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2jfb h ALA 39 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2jfb h ALA 39 CO 0.03 0.63 -0.04 0.28 0.00 0.00 0.00 179.25 180.14 2jfb h VAL 40 N 0.96 1.27 -0.59 0.00 2.07 -0.73 -2.07 116.25 117.16 2jfb h VAL 40 Ca 0.20 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.72 2jfb h VAL 40 Cb 0.38 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2jfb h VAL 40 CO 0.01 0.33 0.34 0.50 0.02 0.00 0.00 177.57 178.77 2jfb h LYS 41 N 0.33 0.63 -0.04 1.57 3.64 -0.88 -0.84 116.57 120.98 2jfb h LYS 41 Ca 0.08 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.21 2jfb h LYS 41 Cb 0.51 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2jfb h LYS 41 CO 0.02 0.42 -0.86 -0.09 -2.27 0.00 0.00 179.45 176.67 2jfb h ARG 42 N 0.65 0.46 -0.31 1.90 9.65 -1.43 -2.56 114.38 122.74 2jfb h ARG 42 Ca 0.25 -0.44 0.04 0.00 -1.10 0.00 0.00 59.98 58.73 2jfb h ARG 42 Cb 0.09 0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.75 2jfb h ARG 42 CO -0.14 1.08 0.09 -0.07 2.80 0.00 0.00 179.97 183.74 2jfb h LEU 43 N 0.28 0.08 -1.05 3.80 4.07 -1.09 -1.73 115.31 119.67 2jfb h LEU 43 Ca -0.06 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 2jfb h LEU 43 Cb 1.48 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 43.22 2jfb h LEU 43 CO 0.15 0.08 0.37 1.56 -1.08 0.00 0.00 178.44 179.53 2jfb h GLN 44 N 0.22 1.04 -0.10 1.13 4.20 -1.14 -2.16 115.11 118.31 2jfb h GLN 44 Ca 0.14 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 2jfb h GLN 44 Cb 0.12 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2jfb h GLN 44 CO -0.16 0.79 -0.41 0.93 -0.67 0.00 0.00 178.83 179.31 2jfb h GLU 45 N 1.04 0.21 -0.03 1.46 5.08 -1.13 -2.67 114.58 118.54 2jfb h GLU 45 Ca 0.26 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2jfb h GLU 45 Cb 0.07 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2jfb h GLU 45 CO -0.04 0.59 0.00 1.19 -1.00 0.00 0.00 179.01 179.75 2jfb n PHE 46 N -4.03 0.03 0.00 4.33 3.01 -0.68 -4.90 117.46 115.22 2jfb n PHE 46 Ca -0.01 -0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.43 2jfb n PHE 46 Cb 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 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 0.95 1.15 3.69 1.37 0.00 -1.01 -0.69 105.19 110.65 2jfb n GLY 47 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2jfb n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jfb n VAL 48 N -1.37 0.40 -2.26 1.61 0.31 -0.83 -3.49 118.33 112.70 2jfb n VAL 48 Ca 0.00 -0.07 -0.33 0.00 -0.01 0.00 0.00 64.34 63.93 2jfb n VAL 48 Cb 0.00 -2.11 -0.01 0.00 -0.91 0.00 0.00 33.84 30.81 2jfb n VAL 48 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2jfb s LYS 49 N 2.88 3.52 0.24 5.55 1.02 -1.26 -4.23 119.74 127.46 2jfb s LYS 49 Ca 0.83 1.29 -0.05 0.00 0.02 0.00 0.00 55.97 58.05 2jfb s LYS 49 Cb -0.49 -2.06 0.44 0.00 -0.52 0.00 0.00 37.83 35.20 2jfb s LYS 49 CO 0.38 -0.66 1.69 1.49 -0.92 0.00 0.00 175.35 177.34 2jfb h GLU 50 N 0.93 0.27 0.00 1.68 4.57 -1.96 0.65 114.58 120.73 2jfb h GLU 50 Ca -0.48 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2jfb h GLU 50 Cb 1.22 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2jfb h GLU 50 CO 0.58 0.18 0.00 1.05 -1.18 0.00 0.00 179.01 179.64 2jfb h GLU 51 N 0.28 0.00 -0.66 1.92 9.09 -2.00 -3.07 114.58 120.13 2jfb h GLU 51 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.81 2jfb h GLU 51 Cb 0.67 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.77 2jfb h GLU 51 CO -0.49 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.66 2jfb n ASN 52 N -2.84 3.95 -4.23 3.06 3.02 0.21 -4.68 115.26 113.76 2jfb n ASN 52 Ca 0.01 -2.18 -0.39 0.00 -0.03 0.00 0.00 54.58 52.00 2jfb n ASN 52 Cb 0.28 -0.50 -0.11 0.00 -0.61 0.00 0.00 39.78 38.85 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 -1.41 3.89 -0.28 2.41 1.01 -1.16 -0.40 121.20 125.26 2jfb s ILE 53 Ca 0.46 -1.48 -0.10 0.00 0.00 0.00 0.00 60.65 59.53 2jfb s ILE 53 Cb 0.26 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 2jfb s ILE 53 CO 0.27 -0.46 0.14 -0.63 0.00 0.00 0.00 174.94 174.27 2jfb s ILE 54 N 1.36 4.86 -0.20 2.92 -1.09 -0.65 -5.00 121.20 123.39 2jfb s ILE 54 Ca 0.03 -0.05 -0.07 0.00 -2.23 0.00 0.00 60.65 58.32 2jfb s ILE 54 Cb -0.22 -3.33 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 2jfb s ILE 54 CO 0.01 0.24 0.07 -0.63 -1.23 0.00 0.00 174.94 173.40 2jfb s ILE 55 N 1.69 4.66 0.08 2.92 -1.09 -1.26 -0.05 121.20 128.15 2jfb s ILE 55 Ca 0.06 -0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.42 2jfb s ILE 55 Cb -0.16 -3.12 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 2jfb s ILE 55 CO 0.08 0.42 -0.06 -0.70 -1.23 0.00 0.00 174.94 173.45 2jfb s GLU 56 N 0.76 0.76 0.17 2.79 2.56 -0.34 -4.99 118.70 120.41 2jfb s GLU 56 Ca 0.04 -1.29 0.10 0.00 0.00 0.00 0.00 54.97 53.81 2jfb s GLU 56 Cb -0.13 -0.09 -0.04 0.00 2.00 0.00 0.00 34.13 35.87 2jfb s GLU 56 CO 0.02 -0.04 -0.21 0.95 -0.56 0.00 0.00 175.26 175.42 2jfb s THR 57 N -3.66 2.01 0.11 -1.70 -4.23 -1.26 -1.80 115.64 105.10 2jfb s THR 57 Ca 0.10 -1.90 0.04 0.00 -1.18 0.00 0.00 61.69 58.75 2jfb s THR 57 Cb 0.06 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 2jfb s THR 57 CO -0.06 -0.19 -0.11 0.68 -0.54 0.00 0.00 174.62 174.39 2jfb s VAL 58 N -1.76 1.08 0.10 2.29 -7.23 -0.37 -4.91 120.40 109.60 2jfb s VAL 58 Ca 0.16 -1.67 -0.30 0.00 -1.81 0.00 0.00 61.98 58.36 2jfb s VAL 58 Cb -0.07 -1.42 -0.11 0.00 0.56 0.00 0.00 36.38 35.34 2jfb s VAL 58 CO 0.07 -0.51 1.61 1.55 -0.31 0.00 0.00 175.10 177.52 2jfb h PRO 59 N 3.55 -0.65 -5.02 4.82 0.13 -1.94 -2.57 132.00 130.31 2jfb h PRO 59 Ca -0.38 0.04 -0.52 0.00 -0.87 0.00 0.00 66.00 64.28 2jfb h PRO 59 Cb 1.19 0.15 -0.13 0.00 0.13 0.00 0.00 31.00 32.34 2jfb h PRO 59 CO 0.52 -0.43 -0.53 0.20 -0.23 0.00 0.00 178.00 177.52 2jfb s GLY 60 N -2.32 2.43 0.43 1.56 0.00 -1.26 -2.32 107.32 105.85 2jfb s GLY 60 Ca -0.16 -1.47 0.18 0.00 0.00 0.00 0.00 44.72 43.27 2jfb s GLY 60 CO 0.63 -1.77 1.92 1.76 0.00 0.00 0.00 173.10 175.65 2jfb h SER 61 N 1.92 0.00 0.37 1.64 0.02 -1.94 -2.40 113.55 113.17 2jfb h SER 61 Ca -0.35 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.55 2jfb h SER 61 Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 2jfb h SER 61 CO 0.56 0.25 -0.22 0.15 -1.14 0.00 0.00 176.83 176.44 2jfb h PHE 62 N 0.00 0.00 -0.01 3.45 3.57 -1.97 -2.46 116.94 119.53 2jfb h PHE 62 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jfb h PHE 62 Cb 0.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2jfb h PHE 62 CO 0.00 0.22 -0.02 0.39 -2.23 0.00 0.00 178.31 176.66 2jfb n GLU 63 N -3.89 1.12 -0.01 1.11 4.71 -0.90 -4.26 120.64 118.52 2jfb n GLU 63 Ca -0.02 -0.33 -0.12 0.00 -0.01 0.00 0.00 57.16 56.68 2jfb n GLU 63 Cb 0.30 -1.49 -0.08 0.00 -1.01 0.00 0.00 31.44 29.16 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 0.81 0.07 0.78 -4.62 3.38 -1.51 -1.02 115.31 113.20 2jfb h LEU 64 Ca 0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 2jfb h LEU 64 Cb 0.23 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.96 2jfb h LEU 64 CO 0.00 0.32 -0.38 -0.65 0.09 0.00 0.00 178.44 177.82 2jfb h PRO 65 N -0.19 -1.02 -0.10 1.13 0.11 -1.79 0.18 132.00 130.33 2jfb h PRO 65 Ca 0.01 0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.13 2jfb h PRO 65 Cb 0.28 0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 2jfb h PRO 65 CO 0.00 -0.68 -0.25 -0.92 -0.21 0.00 0.00 178.00 175.95 2jfb h TYR 66 N -1.06 0.18 -0.75 0.65 3.20 -1.84 -1.51 116.97 115.85 2jfb h TYR 66 Ca -0.11 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.71 2jfb h TYR 66 Cb 0.81 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.00 2jfb h TYR 66 CO 0.05 0.41 0.39 0.78 -1.64 0.00 0.00 178.16 178.14 2jfb h GLY 67 N 0.90 1.12 1.02 1.82 0.00 -1.17 -1.75 103.07 105.01 2jfb h GLY 67 Ca 0.03 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 2jfb h GLY 67 CO 0.04 0.49 0.24 1.76 0.00 0.00 0.00 176.54 179.07 2jfb h SER 68 N 1.05 0.94 -0.13 0.19 0.02 0.09 0.11 113.55 115.82 2jfb h SER 68 Ca 0.26 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2jfb h SER 68 Cb 0.05 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2jfb h SER 68 CO -0.04 0.87 0.05 0.50 -1.14 0.00 0.00 176.83 177.07 2jfb h LYS 69 N 0.95 0.19 -0.66 3.45 3.64 -1.18 0.07 116.57 123.04 2jfb h LYS 69 Ca 0.22 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2jfb h LYS 69 Cb 0.24 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 2jfb h LYS 69 CO -0.01 0.29 0.40 -0.07 -2.27 0.00 0.00 179.45 177.79 2jfb h LEU 70 N 0.05 0.78 0.17 5.20 3.38 -1.18 0.14 115.31 123.86 2jfb h LEU 70 Ca 0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2jfb h LEU 70 Cb 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2jfb h LEU 70 CO -0.00 0.60 -0.08 0.15 0.09 0.00 0.00 178.44 179.20 2jfb h PHE 71 N 0.91 -0.21 -0.79 1.13 3.57 -0.81 -1.35 116.94 119.39 2jfb h PHE 71 Ca 0.24 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2jfb h PHE 71 Cb -0.03 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 2jfb h PHE 71 CO 0.00 0.01 0.44 0.28 -2.23 0.00 0.00 178.31 176.82 2jfb h VAL 72 N -0.41 1.23 -0.39 1.41 2.07 -0.56 -1.94 116.25 117.67 2jfb h VAL 72 Ca -0.02 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 2jfb h VAL 72 Cb 0.32 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2jfb h VAL 72 CO 0.04 0.25 -0.18 -0.33 0.02 0.00 0.00 177.57 177.38 2jfb h GLU 73 N 1.09 0.73 -0.32 1.57 4.39 -0.72 -2.11 114.58 119.20 2jfb h GLU 73 Ca 0.28 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 2jfb h GLU 73 Cb 0.02 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2jfb h GLU 73 CO -0.05 0.86 0.07 -0.22 -1.16 0.00 0.00 179.01 178.52 2jfb h LYS 74 N 0.65 0.52 -0.18 2.33 3.64 -0.96 -2.22 116.57 120.34 2jfb h LYS 74 Ca 0.10 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2jfb h LYS 74 Cb 0.66 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2jfb h LYS 74 CO 0.05 0.59 -0.09 1.96 -2.27 0.00 0.00 179.45 179.69 2jfb h GLN 75 N 0.37 0.29 -0.42 1.90 1.08 -1.24 -1.35 115.11 115.73 2jfb h GLN 75 Ca 0.10 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 2jfb h GLN 75 Cb 0.31 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 2jfb h GLN 75 CO 0.00 0.39 0.03 0.87 -0.95 0.00 0.00 178.83 179.18 2jfb h LYS 76 N 0.27 0.72 0.00 1.46 1.57 -1.23 -0.70 116.57 118.66 2jfb h LYS 76 Ca 0.06 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 2jfb h LYS 76 Cb 0.34 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2jfb h LYS 76 CO 0.02 0.78 -0.27 0.00 -0.57 0.00 0.00 179.45 179.40 2jfb h ARG 77 N 0.56 0.00 -0.00 3.15 3.08 -0.79 -2.49 114.38 117.90 2jfb h ARG 77 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2jfb h ARG 77 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2jfb h ARG 77 CO 0.01 0.27 -0.17 1.28 -1.07 0.00 0.00 179.97 180.29 2jfb n LEU 78 N -3.82 0.21 0.00 3.04 4.32 -0.56 -4.92 117.00 115.26 2jfb n LEU 78 Ca -0.01 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.26 2jfb n LEU 78 Cb 0.36 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 2jfb n LEU 78 CO 0.35 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 2jfb n GLY 79 N 1.47 0.51 2.36 -0.72 0.00 -0.94 -4.99 105.19 102.89 2jfb n GLY 79 Ca 0.07 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.86 1.48 -2.29 1.61 5.02 -0.29 -5.03 118.16 115.80 2jfb n LYS 80 Ca 0.00 -3.90 -0.35 0.00 -2.02 0.00 0.00 58.31 52.04 2jfb n LYS 80 Cb 0.00 -1.76 -0.00 0.00 -0.02 0.00 0.00 35.03 33.25 2jfb n LYS 80 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2jfb s PRO 81 N -1.61 3.42 0.19 1.97 0.04 -1.17 -4.52 135.00 133.32 2jfb s PRO 81 Ca 0.36 1.60 -0.25 0.00 0.04 0.00 0.00 61.00 62.75 2jfb s PRO 81 Cb 0.13 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 2jfb s PRO 81 CO -0.08 -0.79 0.79 -0.51 0.04 0.00 0.00 177.00 176.44 2jfb s LEU 82 N -3.73 4.53 0.03 -3.56 1.43 -1.26 -4.70 118.68 111.42 2jfb s LEU 82 Ca 0.72 1.64 0.16 0.00 -1.03 0.00 0.00 54.13 55.62 2jfb s LEU 82 Cb -0.23 -3.43 -0.16 0.00 0.03 0.00 0.00 46.19 42.40 2jfb s LEU 82 CO 0.27 0.15 0.76 0.47 0.23 0.00 0.00 176.35 178.23 2jfb n ASP 83 N 1.34 0.83 -3.59 2.29 8.00 0.14 -4.96 116.55 120.60 2jfb n ASP 83 Ca -0.04 0.37 -0.16 0.00 0.71 0.00 0.00 54.79 55.67 2jfb n ASP 83 Cb 0.49 0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 41.68 2jfb n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jfb s ALA 84 N -2.85 -1.63 -0.03 2.24 0.00 -1.23 -4.01 121.76 114.24 2jfb s ALA 84 Ca -0.04 1.45 0.07 0.00 0.00 0.00 0.00 51.96 53.45 2jfb s ALA 84 Cb 0.09 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2jfb s ALA 84 CO 0.82 -0.34 -0.25 -1.50 0.00 0.00 0.00 175.76 174.49 2jfb s ILE 85 N -0.59 1.97 -0.63 0.00 2.07 -0.49 -1.30 121.20 122.23 2jfb s ILE 85 Ca -0.07 -1.06 0.01 0.00 -1.41 0.00 0.00 60.65 58.12 2jfb s ILE 85 Cb -0.02 -1.64 0.16 0.00 0.13 0.00 0.00 42.46 41.08 2jfb s ILE 85 CO 0.06 0.56 0.42 -0.63 -1.91 0.00 0.00 174.94 173.44 2jfb s ILE 86 N -0.51 3.25 -0.08 2.00 1.01 0.78 -1.31 121.20 126.33 2jfb s ILE 86 Ca 0.07 -3.43 -0.30 0.00 0.00 0.00 0.00 60.65 57.00 2jfb s ILE 86 Cb -0.10 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 2jfb s ILE 86 CO -0.00 -0.90 1.40 -2.16 0.00 0.00 0.00 174.94 173.29 2jfb s PRO 87 N -0.54 4.24 -0.10 2.79 0.04 -1.24 -2.10 135.00 138.09 2jfb s PRO 87 Ca 0.20 1.90 0.02 0.00 0.04 0.00 0.00 61.00 63.15 2jfb s PRO 87 Cb -0.18 -3.75 -0.01 0.00 0.04 0.00 0.00 34.50 30.60 2jfb s PRO 87 CO -0.05 -0.68 -0.16 0.42 0.04 0.00 0.00 177.00 176.56 2jfb s ILE 88 N 3.20 2.80 0.05 0.56 1.01 0.83 -2.01 121.20 127.64 2jfb s ILE 88 Ca 0.63 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 2jfb s ILE 88 Cb -0.28 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.06 2jfb s ILE 88 CO 0.23 0.55 0.23 -0.83 0.00 0.00 0.00 174.94 175.11 2jfb s GLY 89 N 0.12 -0.01 -0.18 6.18 0.00 -0.65 -1.38 107.32 111.41 2jfb s GLY 89 Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.38 2jfb s GLY 89 CO 0.05 -0.45 -0.07 0.14 0.00 0.00 0.00 173.10 172.77 2jfb s VAL 90 N -2.83 1.32 -0.24 1.40 1.01 -1.26 -0.44 120.40 119.36 2jfb s VAL 90 Ca -0.03 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 2jfb s VAL 90 Cb 0.00 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.96 2jfb s VAL 90 CO -0.05 0.15 -0.10 -0.76 0.00 0.00 0.00 175.10 174.33 2jfb s LEU 91 N 1.54 3.01 -0.06 3.92 1.43 -0.00 -4.83 118.68 123.68 2jfb s LEU 91 Ca -0.00 -0.92 -0.04 0.00 -1.03 0.00 0.00 54.13 52.14 2jfb s LEU 91 Cb -0.16 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2jfb s LEU 91 CO -0.08 -0.11 0.13 -0.63 0.23 0.00 0.00 176.35 175.89 2jfb s ILE 92 N 1.28 5.24 0.02 -0.59 -1.09 -1.26 -1.26 121.20 123.54 2jfb s ILE 92 Ca -0.01 -0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.06 2jfb s ILE 92 Cb -0.16 -3.35 -0.07 0.00 -1.58 0.00 0.00 42.46 37.30 2jfb s ILE 92 CO -0.06 0.48 1.52 -0.75 -1.23 0.00 0.00 174.94 174.90 2jfb s LYS 93 N -1.42 4.24 0.00 2.79 2.47 -0.44 -4.82 119.74 122.56 2jfb s LYS 93 Ca 0.20 2.12 0.00 0.00 -1.56 0.00 0.00 55.97 56.73 2jfb s LYS 93 Cb -0.12 -3.62 0.00 0.00 -1.46 0.00 0.00 37.83 32.63 2jfb s LYS 93 CO 0.10 -0.66 0.00 0.41 0.16 0.00 0.00 175.35 175.36 2jfb n GLY 94 N 3.82 1.88 0.13 5.54 0.00 -1.26 -4.88 105.19 110.43 2jfb n GLY 94 Ca 0.15 -1.75 -0.20 0.00 0.00 0.00 0.00 46.02 44.21 2jfb n GLY 94 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jfb n SER 95 N 0.00 2.05 -2.55 1.61 7.64 -1.26 -4.99 113.62 116.12 2jfb n SER 95 Ca 0.00 0.07 -0.07 0.00 1.01 0.00 0.00 58.87 59.88 2jfb n SER 95 Cb 0.00 -0.67 0.05 0.00 -1.01 0.00 0.00 64.21 62.57 2jfb n SER 95 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2jfb n THR 96 N -3.44 0.00 0.30 0.44 -2.24 -1.26 -4.98 114.28 103.10 2jfb n THR 96 Ca -0.39 -0.31 0.08 0.00 -2.27 0.00 0.00 64.05 61.17 2jfb n THR 96 Cb 1.01 -1.65 0.23 0.00 -2.10 0.00 0.00 70.33 67.82 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 -1.64 2.27 -0.23 -0.78 0.00 -1.26 -4.38 117.12 111.11 2jfb n MET 97 Ca 0.04 -1.91 0.03 0.00 0.00 0.00 0.00 57.70 55.86 2jfb n MET 97 Cb 0.15 -1.43 0.15 0.00 0.00 0.00 0.00 33.22 32.09 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 3.07 0.35 -0.31 2.03 -0.00 -1.98 -2.30 115.15 116.01 2jfb h HIS 98 Ca 0.00 0.04 0.07 0.00 -0.00 0.00 0.00 60.37 60.48 2jfb h HIS 98 Cb 0.73 -0.05 -0.07 0.00 -0.00 0.00 0.00 27.41 28.02 2jfb h HIS 98 CO 0.37 0.02 -0.18 0.35 -0.00 0.00 0.00 177.93 178.48 2jfb h PHE 99 N 0.35 -0.47 -0.12 5.26 3.57 -1.88 -2.39 116.94 121.27 2jfb h PHE 99 Ca 0.36 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 2jfb h PHE 99 Cb 0.54 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 2jfb h PHE 99 CO -0.21 -0.26 0.05 0.93 -2.23 0.00 0.00 178.31 176.59 2jfb h GLU 100 N -0.15 0.18 -0.01 1.11 3.07 -1.74 -1.96 114.58 115.07 2jfb h GLU 100 Ca 0.16 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 58.84 2jfb h GLU 100 Cb 0.40 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 2jfb h GLU 100 CO -0.40 0.27 -0.69 1.88 -1.40 0.00 0.00 179.01 178.67 2jfb h TYR 101 N 0.05 0.09 -0.07 4.33 0.05 -1.47 -1.04 116.97 118.90 2jfb h TYR 101 Ca 0.04 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2jfb h TYR 101 Cb 0.15 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 37.88 2jfb h TYR 101 CO -0.02 0.73 -0.03 0.82 -1.05 0.00 0.00 178.16 178.61 2jfb h ILE 102 N 0.04 1.31 0.15 -2.88 1.08 -1.43 -2.75 117.51 113.04 2jfb h ILE 102 Ca -0.01 -0.99 0.02 0.00 -0.39 0.00 0.00 64.86 63.48 2jfb h ILE 102 Cb 1.22 1.83 -0.04 0.00 -3.07 0.00 0.00 36.82 36.75 2jfb h ILE 102 CO 0.09 0.28 -0.36 0.00 -0.69 0.00 0.00 178.15 177.47 2jfb h ASP 104 N -0.61 0.07 -0.03 0.00 3.58 -1.27 0.06 116.42 118.22 2jfb h ASP 104 Ca 0.02 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 2jfb h ASP 104 Cb 0.62 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.74 2jfb h ASP 104 CO -0.19 0.07 -0.01 0.28 -2.88 0.00 0.00 179.24 176.52 2jfb h SER 105 N 0.25 0.07 -0.19 2.28 0.02 -1.42 -2.35 113.55 112.21 2jfb h SER 105 Ca 0.20 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2jfb h SER 105 Cb 0.23 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2jfb h SER 105 CO -0.24 0.41 0.12 0.74 -1.14 0.00 0.00 176.83 176.71 2jfb h THR 106 N -0.28 1.08 -0.38 -2.27 2.02 -1.01 -1.09 112.91 110.98 2jfb h THR 106 Ca 0.01 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.04 2jfb h THR 106 Cb 0.38 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 2jfb h THR 106 CO 0.00 0.07 0.15 0.74 0.37 0.00 0.00 175.52 176.86 2jfb h THR 107 N 0.23 0.91 -0.29 3.16 2.02 -1.03 0.18 112.91 118.09 2jfb h THR 107 Ca 0.07 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2jfb h THR 107 Cb 0.02 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2jfb h THR 107 CO -0.01 0.06 0.10 0.45 0.37 0.00 0.00 175.52 176.48 2jfb h HIS 108 N 0.32 0.46 -0.27 3.16 3.86 -1.23 -2.33 115.15 119.11 2jfb h HIS 108 Ca 0.17 -0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.20 2jfb h HIS 108 Cb 0.13 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2jfb h HIS 108 CO -0.13 0.47 -0.39 1.96 0.86 0.00 0.00 177.93 180.70 2jfb h GLN 109 N 0.31 0.62 -0.08 2.45 1.08 -1.01 -1.67 115.11 116.81 2jfb h GLN 109 Ca 0.09 -0.31 -0.06 0.00 -1.45 0.00 0.00 58.65 56.92 2jfb h GLN 109 Cb 0.22 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2jfb h GLN 109 CO -0.00 0.91 -0.23 -0.07 -0.95 0.00 0.00 178.83 178.48 2jfb h LEU 110 N 0.52 0.13 -0.12 1.46 3.38 -0.95 -0.60 115.31 119.13 2jfb h LEU 110 Ca 0.05 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2jfb h LEU 110 Cb 0.90 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2jfb h LEU 110 CO 0.08 0.37 -0.14 -0.03 0.09 0.00 0.00 178.44 178.82 2jfb h MET 111 N 0.12 0.30 0.00 1.13 4.05 -1.12 -3.18 114.93 116.23 2jfb h MET 111 Ca 0.02 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.26 2jfb h MET 111 Cb 0.49 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.29 2jfb h MET 111 CO 0.03 0.72 -0.10 0.87 0.23 0.00 0.00 176.91 178.66 2jfb h LYS 112 N -0.11 0.00 0.00 0.39 1.57 -1.09 -3.05 116.57 114.28 2jfb h LYS 112 Ca 0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2jfb h LYS 112 Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2jfb h LYS 112 CO 0.03 0.10 -0.22 1.25 -0.57 0.00 0.00 179.45 180.05 2jfb h LEU 113 N 0.00 0.00 -0.78 2.94 5.85 -1.08 -2.35 115.31 119.89 2jfb h LEU 113 Ca -0.00 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.85 2jfb h LEU 113 Cb 0.49 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 2jfb h LEU 113 CO 0.01 0.22 0.36 0.78 -0.34 0.00 0.00 178.44 179.47 2jfb h ASN 114 N 0.00 0.41 0.37 1.25 2.35 -1.62 -1.44 115.58 116.89 2jfb h ASN 114 Ca -0.00 0.09 -0.32 0.00 -0.55 0.00 0.00 56.30 55.52 2jfb h ASN 114 Cb 0.67 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.08 2jfb h ASN 114 CO 0.03 0.18 -1.58 -0.26 -1.65 0.00 0.00 177.43 174.14 2jfb h PHE 115 N 0.54 0.58 -0.24 1.19 -1.00 -1.64 -2.49 116.94 113.88 2jfb h PHE 115 Ca 0.42 -0.42 -0.15 0.00 2.81 0.00 0.00 57.97 60.63 2jfb h PHE 115 Cb 0.59 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.13 2jfb h PHE 115 CO -0.13 1.48 -0.44 0.93 -1.61 0.00 0.00 178.31 178.54 2jfb h GLU 116 N 0.09 0.72 0.06 1.51 5.08 -1.44 -3.27 114.58 117.33 2jfb h GLU 116 Ca -0.27 -0.46 -0.24 0.00 -1.00 0.00 0.00 59.36 57.39 2jfb h GLU 116 Cb 2.05 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.34 2jfb h GLU 116 CO 0.18 1.08 -1.15 -0.07 -1.00 0.00 0.00 179.01 178.05 2jfb h LEU 117 N 0.45 0.21 0.00 1.33 3.38 -1.41 -3.48 115.31 115.79 2jfb h LEU 117 Ca 0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2jfb h LEU 117 Cb 1.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2jfb h LEU 117 CO 0.10 1.18 0.00 0.61 0.09 0.00 0.00 178.44 180.42 2jfb n GLY 118 N 1.45 0.54 3.21 0.83 0.00 -0.94 -5.05 105.19 105.23 2jfb n GLY 118 Ca -0.05 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.00 1.29 0.04 -0.61 -4.36 -1.22 -5.04 121.20 109.30 2jfb s ILE 119 Ca 0.00 -1.48 -0.34 0.00 -0.26 0.00 0.00 60.65 58.58 2jfb s ILE 119 Cb 0.00 -1.30 -0.13 0.00 1.25 0.00 0.00 42.46 42.28 2jfb s ILE 119 CO 0.00 -0.25 1.74 -2.65 0.24 0.00 0.00 174.94 174.02 2jfb n PRO 120 N 1.02 2.22 -3.83 0.37 -0.02 -1.26 -4.43 135.00 129.07 2jfb n PRO 120 Ca -0.19 0.81 -0.36 0.00 -2.02 0.00 0.00 63.50 61.73 2jfb n PRO 120 Cb 0.55 -2.62 -0.13 0.00 -0.02 0.00 0.00 33.50 31.27 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 2.56 3.64 -0.24 -1.45 1.01 -1.26 -1.40 120.40 123.26 2jfb s VAL 121 Ca 0.86 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 2jfb s VAL 121 Cb -0.67 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 2jfb s VAL 121 CO 0.44 0.15 0.45 -0.63 0.00 0.00 0.00 175.10 175.51 2jfb s ILE 122 N 1.46 5.13 -0.73 2.22 -1.09 -0.43 -4.91 121.20 122.85 2jfb s ILE 122 Ca 0.02 0.76 -0.26 0.00 -2.23 0.00 0.00 60.65 58.94 2jfb s ILE 122 Cb -0.17 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.91 2jfb s ILE 122 CO 0.00 0.15 1.88 0.12 -1.23 0.00 0.00 174.94 175.87 2jfb s PHE 123 N 1.95 1.73 -0.50 3.97 5.36 -1.26 -3.62 117.98 125.61 2jfb s PHE 123 Ca 0.19 0.70 0.03 0.00 -0.96 0.00 0.00 56.93 56.88 2jfb s PHE 123 Cb -0.15 -4.08 0.50 0.00 -0.34 0.00 0.00 43.02 38.94 2jfb s PHE 123 CO 0.09 -2.08 1.75 0.41 -1.46 0.00 0.00 175.22 173.93 2jfb n GLY 124 N 6.17 5.63 3.48 13.12 0.00 -0.85 -4.96 105.19 127.78 2jfb n GLY 124 Ca 0.28 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 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 -4.30 4.13 -0.06 1.61 1.01 -1.26 -1.63 120.40 119.89 2jfb s VAL 125 Ca 0.58 -0.26 -0.20 0.00 0.00 0.00 0.00 61.98 62.10 2jfb s VAL 125 Cb 0.47 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 2jfb s VAL 125 CO 0.02 0.43 0.56 -0.76 0.00 0.00 0.00 175.10 175.35 2jfb s LEU 126 N 0.92 4.34 -0.70 3.92 1.43 0.41 -4.93 118.68 124.08 2jfb s LEU 126 Ca 0.02 1.02 0.05 0.00 -1.03 0.00 0.00 54.13 54.19 2jfb s LEU 126 Cb -0.14 -2.85 0.18 0.00 0.03 0.00 0.00 46.19 43.41 2jfb s LEU 126 CO 0.02 0.03 0.55 0.35 0.23 0.00 0.00 176.35 177.52 2jfb n THR 127 N 3.28 1.80 -4.07 5.49 -2.24 -1.26 -0.82 114.28 116.46 2jfb n THR 127 Ca -0.06 -4.94 -0.22 0.00 -2.27 0.00 0.00 64.05 56.55 2jfb n THR 127 Cb 0.51 -2.18 -0.04 0.00 -2.10 0.00 0.00 70.33 66.53 2jfb n THR 127 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jfb n LEU 129 N -1.12 0.30 -4.12 0.00 4.77 -1.26 -1.33 117.00 114.24 2jfb n LEU 129 Ca -0.08 0.12 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 2jfb n LEU 129 Cb 0.57 0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.57 2jfb n LEU 129 CO 0.44 -0.01 -0.43 -0.89 -1.33 0.00 0.00 177.39 175.16 2jfb s THR 130 N -3.36 0.86 0.28 -5.08 2.01 -1.26 -4.21 115.64 104.89 2jfb s THR 130 Ca -0.06 -1.20 -0.02 0.00 0.31 0.00 0.00 61.69 60.72 2jfb s THR 130 Cb 0.12 -0.87 0.22 0.00 0.01 0.00 0.00 72.50 71.98 2jfb s THR 130 CO 0.86 -0.29 1.91 0.44 -0.69 0.00 0.00 174.62 176.85 2jfb h ASP 131 N 4.40 0.92 -0.76 3.53 3.32 -1.96 -2.66 116.42 123.21 2jfb h ASP 131 Ca -0.39 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 2jfb h ASP 131 Cb 1.20 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 2jfb h ASP 131 CO 0.40 0.74 0.41 -0.08 -1.72 0.00 0.00 179.24 179.00 2jfb h GLU 132 N 1.04 1.08 -0.77 3.56 4.22 -1.99 -1.67 114.58 120.06 2jfb h GLU 132 Ca 0.26 -0.13 -0.00 0.00 0.08 0.00 0.00 59.36 59.57 2jfb h GLU 132 Cb 0.03 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 2jfb h GLU 132 CO -0.04 0.80 0.46 1.96 -2.18 0.00 0.00 179.01 180.01 2jfb h GLN 133 N 1.08 1.04 -0.32 1.92 4.20 -1.90 -0.55 115.11 120.60 2jfb h GLN 133 Ca 0.27 -0.10 -0.18 0.00 0.06 0.00 0.00 58.65 58.71 2jfb h GLN 133 Cb 0.05 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 2jfb h GLN 133 CO -0.04 0.74 -0.50 0.00 -0.67 0.00 0.00 178.83 178.36 2jfb h ALA 134 N 1.24 0.51 -0.74 3.87 0.00 -1.42 -2.54 119.26 120.17 2jfb h ALA 134 Ca 0.28 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2jfb h ALA 134 Cb -0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2jfb h ALA 134 CO -0.05 0.68 0.23 0.93 0.00 0.00 0.00 179.25 181.04 2jfb h GLU 135 N 0.70 1.16 -0.35 0.00 5.08 -1.06 -2.26 114.58 117.85 2jfb h GLU 135 Ca 0.03 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 2jfb h GLU 135 Cb 1.10 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2jfb h GLU 135 CO 0.11 0.99 -0.13 0.00 -1.00 0.00 0.00 179.01 178.99 2jfb h ALA 136 N 1.12 1.12 -0.00 3.43 0.00 -1.09 -0.38 119.26 123.46 2jfb h ALA 136 Ca 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jfb h ALA 136 Cb 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jfb h ALA 136 CO -0.01 0.55 -0.02 0.54 0.00 0.00 0.00 179.25 180.31 2jfb n ARG 137 N -4.18 0.93 -0.05 0.00 1.74 -0.96 -2.71 116.66 111.43 2jfb n ARG 137 Ca 0.01 -0.16 0.05 0.00 -0.77 0.00 0.00 57.85 56.97 2jfb n ARG 137 Cb 0.35 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.36 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 -0.89 2.38 -2.40 7.54 0.00 -0.87 -0.94 120.51 125.32 2jfb n ALA 138 Ca 0.20 -0.76 -0.07 0.00 0.00 0.00 0.00 53.44 52.82 2jfb n ALA 138 Cb 0.19 -0.35 0.01 0.00 0.00 0.00 0.00 19.45 19.30 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 0.50 0.26 0.56 0.00 0.00 -0.99 -4.59 105.19 100.92 2jfb n GLY 139 Ca 0.07 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.29 2.11 -4.73 0.99 4.77 -0.19 -4.91 117.00 113.75 2jfb n LEU 140 Ca -0.05 -0.91 -0.35 0.00 -0.03 0.00 0.00 56.01 54.67 2jfb n LEU 140 Cb 0.54 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 2jfb n LEU 140 CO 0.13 0.38 -0.20 -0.63 -1.33 0.00 0.00 177.39 175.74 2jfb s ILE 141 N -1.58 5.25 -0.63 -0.08 -1.09 -1.25 -4.95 121.20 116.86 2jfb s ILE 141 Ca 0.17 0.13 -0.32 0.00 -2.23 0.00 0.00 60.65 58.40 2jfb s ILE 141 Cb 0.14 -3.37 -0.15 0.00 -1.58 0.00 0.00 42.46 37.51 2jfb s ILE 141 CO 0.28 0.48 2.43 -0.62 -1.23 0.00 0.00 174.94 176.28 2jfb n GLU 142 N 3.20 0.60 -3.67 2.79 1.02 -1.26 -2.24 120.64 121.09 2jfb n GLU 142 Ca -0.17 0.08 -0.25 0.00 -0.02 0.00 0.00 57.16 56.80 2jfb n GLU 142 Cb 0.53 -2.31 0.07 0.00 -0.02 0.00 0.00 31.44 29.70 2jfb n GLU 142 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jfb n GLY 143 N 6.47 -0.53 2.98 0.62 0.00 -1.26 -5.00 105.19 108.47 2jfb n GLY 143 Ca 0.50 0.24 -0.27 0.00 0.00 0.00 0.00 46.02 46.49 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 -6.37 1.77 3.85 1.61 2.20 -0.95 -5.08 119.74 116.77 2jfb s LYS 144 Ca 0.59 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 2jfb s LYS 144 Cb -0.27 -1.61 0.00 0.00 -1.51 0.00 0.00 37.83 34.44 2jfb s LYS 144 CO 0.75 -0.12 0.00 -1.33 -0.36 0.00 0.00 175.35 174.29 2jfb n MET 145 N 4.38 0.00 -3.96 4.03 2.81 -1.26 -4.69 117.12 118.43 2jfb n MET 145 Ca -0.18 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.61 2jfb n MET 145 Cb 0.51 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.99 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 0.40 -0.38 2.03 -3.43 -1.25 -5.00 115.29 107.67 2jfb s HIS 146 Ca 0.00 -0.81 -0.26 0.00 -0.80 0.00 0.00 55.06 53.19 2jfb s HIS 146 Cb 0.00 0.32 0.02 0.00 -1.43 0.00 0.00 32.58 31.49 2jfb s HIS 146 CO 0.00 -1.17 0.92 1.21 -2.00 0.00 0.00 174.74 173.70 2jfb s ASN 147 N -3.07 6.66 0.53 7.38 3.84 -1.26 -3.68 114.94 125.34 2jfb s ASN 147 Ca 0.21 0.54 0.31 0.00 0.21 0.00 0.00 52.86 54.14 2jfb s ASN 147 Cb -0.02 -2.46 1.37 0.00 -0.55 0.00 0.00 41.25 39.58 2jfb s ASN 147 CO 0.12 -0.87 2.00 0.45 -2.79 0.00 0.00 177.10 176.00 2jfb h HIS 148 N 8.52 0.00 -0.93 0.43 3.86 -1.36 -2.99 115.15 122.68 2jfb h HIS 148 Ca -0.23 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.08 2jfb h HIS 148 Cb 1.08 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.48 2jfb h HIS 148 CO 0.84 0.08 0.60 0.78 0.86 0.00 0.00 177.93 181.08 2jfb h GLY 149 N 1.67 1.39 1.01 2.45 0.00 -1.78 -2.06 103.07 105.76 2jfb h GLY 149 Ca -0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 2jfb h GLY 149 CO 0.01 0.20 0.23 0.83 0.00 0.00 0.00 176.54 177.81 2jfb h GLU 150 N 0.93 0.96 -0.81 4.80 5.08 -1.60 -1.37 114.58 122.57 2jfb h GLU 150 Ca 0.44 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 2jfb h GLU 150 Cb 0.43 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2jfb h GLU 150 CO -0.20 0.83 0.53 -0.44 -1.00 0.00 0.00 179.01 178.73 2jfb h ASP 151 N 0.90 0.89 0.12 1.42 3.32 -1.53 -0.78 116.42 120.76 2jfb h ASP 151 Ca 0.21 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.08 2jfb h ASP 151 Cb 0.24 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2jfb h ASP 151 CO -0.01 0.63 -0.58 -0.50 -1.72 0.00 0.00 179.24 177.05 2jfb h TRP 152 N 1.04 0.60 -0.24 4.55 6.55 -1.06 -1.16 115.95 126.24 2jfb h TRP 152 Ca 0.31 -0.22 -0.01 0.00 0.95 0.00 0.00 58.89 59.91 2jfb h TRP 152 Cb -0.03 -0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 28.15 2jfb h TRP 152 CO -0.00 0.94 0.10 0.78 -1.05 0.00 0.00 178.44 179.21 2jfb h GLY 153 N 1.16 0.38 1.12 1.49 0.00 -0.72 -2.29 103.07 104.21 2jfb h GLY 153 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 2jfb h GLY 153 CO 0.10 0.20 0.17 0.00 0.00 0.00 0.00 176.54 177.01 2jfb h ALA 154 N 0.94 1.00 -0.66 3.60 0.00 -1.08 -3.07 119.26 120.00 2jfb h ALA 154 Ca 0.08 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2jfb h ALA 154 Cb 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2jfb h ALA 154 CO -0.01 0.65 0.10 0.00 0.00 0.00 0.00 179.25 179.99 2jfb h ALA 155 N 1.14 0.87 -0.87 0.00 0.00 -1.15 -2.36 119.26 116.90 2jfb h ALA 155 Ca 0.22 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jfb h ALA 155 Cb 0.36 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2jfb h ALA 155 CO 0.00 0.64 0.58 0.00 0.00 0.00 0.00 179.25 180.47 2jfb h ALA 156 N 1.04 1.10 -0.19 0.00 0.00 -1.33 -0.38 119.26 119.51 2jfb h ALA 156 Ca 0.20 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2jfb h ALA 156 Cb 0.45 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jfb h ALA 156 CO 0.01 0.51 -0.19 0.28 0.00 0.00 0.00 179.25 179.86 2jfb h VAL 157 N 1.18 1.33 -0.07 0.00 2.07 -1.45 -2.74 116.25 116.57 2jfb h VAL 157 Ca 0.32 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2jfb h VAL 157 Cb -0.14 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2jfb h VAL 157 CO -0.07 0.41 0.05 -0.08 0.02 0.00 0.00 177.57 177.90 2jfb h GLU 158 N 0.14 0.09 -0.05 1.57 4.81 -1.22 -2.99 114.58 116.94 2jfb h GLU 158 Ca 0.03 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2jfb h GLU 158 Cb 0.74 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2jfb h GLU 158 CO 0.05 0.07 -0.25 0.52 -0.73 0.00 0.00 179.01 178.66 2jfb h MET 159 N 0.09 0.08 0.00 1.92 2.86 -1.10 -0.05 114.93 118.73 2jfb h MET 159 Ca 0.03 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jfb h MET 159 Cb -0.01 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2jfb h MET 159 CO -0.01 0.33 0.00 0.00 1.06 0.00 0.00 176.91 178.29 2jfb h ALA 160 N 1.68 1.00 0.00 6.32 0.00 -1.39 -3.40 119.26 123.47 2jfb h ALA 160 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jfb h ALA 160 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2jfb h ALA 160 CO 0.03 0.00 -0.91 0.25 0.00 0.00 0.00 179.25 178.63 2jfb n THR 161 N -2.41 0.00 -0.30 0.00 -2.24 -1.00 -4.84 114.28 103.50 2jfb n THR 161 Ca 0.05 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.02 2jfb n THR 161 Cb 0.43 -0.66 0.45 0.00 -2.10 0.00 0.00 70.33 68.46 2jfb n THR 161 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2jfb h LYS 162 N 0.00 0.49 -0.55 -0.78 3.64 -1.22 -2.52 116.57 115.63 2jfb h LYS 162 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2jfb h LYS 162 Cb 0.91 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2jfb h LYS 162 CO 0.00 0.33 0.00 1.19 -2.27 0.00 0.00 179.45 178.70 2jfb n PHE 163 N -4.62 0.87 0.35 1.91 3.01 -1.26 -5.14 117.46 112.58 2jfb n PHE 163 Ca 0.22 -0.54 0.03 0.00 1.01 0.00 0.00 57.45 58.17 2jfb n PHE 163 Cb 0.72 -0.07 0.17 0.00 -0.01 0.00 0.00 39.48 40.29 2jfb n PHE 163 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86