#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 3.12 -0.35 2.13 1.51 -1.26 -4.98 117.35 117.52 2jfb s TYR 13 Ca 0.00 0.97 -0.23 0.00 -1.01 0.00 0.00 57.07 56.80 2jfb s TYR 13 Cb 0.00 -3.62 0.01 0.00 -0.11 0.00 0.00 41.96 38.24 2jfb s TYR 13 CO 0.00 -2.16 0.78 0.34 -1.11 0.00 0.00 175.55 173.40 2jfb s ASP 14 N 1.42 6.57 -0.08 2.29 3.68 -1.26 -4.76 116.67 124.53 2jfb s ASP 14 Ca 0.63 0.42 0.13 0.00 2.13 0.00 0.00 52.55 55.86 2jfb s ASP 14 Cb -0.33 -2.40 0.41 0.00 -1.45 0.00 0.00 42.92 39.16 2jfb s ASP 14 CO 0.28 -0.70 1.34 0.61 0.13 0.00 0.00 175.17 176.83 2jfb n GLY 15 N 4.46 3.27 0.26 2.66 0.00 -0.05 -4.67 105.19 111.13 2jfb n GLY 15 Ca 0.03 -0.66 0.05 0.00 0.00 0.00 0.00 46.02 45.43 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 2.03 0.22 -0.33 1.61 4.64 -1.72 -1.61 113.55 118.38 2jfb h SER 16 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2jfb h SER 16 Cb 1.05 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2jfb h SER 16 CO 0.10 0.25 0.00 0.29 -0.87 0.00 0.00 176.83 176.60 2jfb n LYS 17 N -4.41 1.94 -3.95 4.77 5.02 -1.26 -4.69 118.16 115.58 2jfb n LYS 17 Ca -0.00 -1.44 -0.35 0.00 -2.02 0.00 0.00 58.31 54.50 2jfb n LYS 17 Cb 0.16 -1.37 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.24 4.27 -0.26 -0.35 1.43 -0.61 -5.08 118.68 116.85 2jfb s LEU 18 Ca 0.31 0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.74 2jfb s LEU 18 Cb 0.16 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 44.06 2jfb s LEU 18 CO 0.23 0.32 -0.04 -0.60 0.23 0.00 0.00 176.35 176.49 2jfb s ARG 19 N -1.56 2.77 -0.12 1.70 3.52 -1.26 -4.69 118.95 119.31 2jfb s ARG 19 Ca 0.22 -1.03 -0.03 0.00 -0.13 0.00 0.00 55.73 54.76 2jfb s ARG 19 Cb -0.12 -3.05 -0.03 0.00 -1.56 0.00 0.00 34.95 30.18 2jfb s ARG 19 CO 0.12 -0.45 -0.02 0.42 -0.81 0.00 0.00 175.30 174.57 2jfb s ILE 20 N 1.32 4.09 -0.13 4.11 -1.09 -0.09 0.05 121.20 129.45 2jfb s ILE 20 Ca -0.01 -0.31 -0.06 0.00 -2.23 0.00 0.00 60.65 58.04 2jfb s ILE 20 Cb -0.17 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 2jfb s ILE 20 CO -0.03 0.55 0.08 -0.83 -1.23 0.00 0.00 174.94 173.47 2jfb s GLY 21 N -0.26 2.00 -0.21 6.18 0.00 -0.33 -1.76 107.32 112.95 2jfb s GLY 21 Ca 0.05 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.06 2jfb s GLY 21 CO 0.02 -0.32 -0.16 -0.42 0.00 0.00 0.00 173.10 172.22 2jfb s ILE 22 N -0.61 2.21 -0.20 0.90 1.01 0.77 -0.32 121.20 124.96 2jfb s ILE 22 Ca 0.11 -1.10 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 2jfb s ILE 22 Cb -0.12 -2.04 -0.00 0.00 0.01 0.00 0.00 42.46 40.31 2jfb s ILE 22 CO 0.02 0.37 -0.09 -0.22 0.00 0.00 0.00 174.94 175.02 2jfb s LEU 23 N 1.25 2.70 0.05 2.97 2.96 -1.07 -0.76 118.68 126.78 2jfb s LEU 23 Ca 0.01 -0.44 0.06 0.00 -0.22 0.00 0.00 54.13 53.53 2jfb s LEU 23 Cb -0.15 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 2jfb s LEU 23 CO -0.10 0.00 -0.16 -1.38 -1.32 0.00 0.00 176.35 173.40 2jfb s HIS 24 N 1.31 1.39 0.94 5.38 -3.43 -0.66 0.31 115.29 120.53 2jfb s HIS 24 Ca 0.04 -0.38 -0.12 0.00 -0.80 0.00 0.00 55.06 53.79 2jfb s HIS 24 Cb -0.14 -0.81 0.15 0.00 -1.43 0.00 0.00 32.58 30.35 2jfb s HIS 24 CO -0.05 0.07 1.09 0.00 -2.00 0.00 0.00 174.74 173.86 2jfb s ALA 25 N -0.96 1.31 -0.57 -1.38 0.00 -0.12 -1.40 121.76 118.64 2jfb s ALA 25 Ca 0.02 -0.19 0.10 0.00 0.00 0.00 0.00 51.96 51.90 2jfb s ALA 25 Cb -0.09 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.78 2jfb s ALA 25 CO 0.02 -2.54 0.48 0.54 0.00 0.00 0.00 175.76 174.25 2jfb n ARG 26 N -4.00 3.34 -2.33 0.00 1.74 -0.69 -4.83 116.66 109.89 2jfb n ARG 26 Ca 0.06 -0.09 -0.37 0.00 -0.77 0.00 0.00 57.85 56.68 2jfb n ARG 26 Cb 0.56 -1.01 -0.02 0.00 -1.02 0.00 0.00 32.46 30.97 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 -1.91 2.98 -1.26 -1.55 0.52 -1.23 -3.48 118.94 113.02 2jfb s TRP 27 Ca 0.05 1.56 -0.03 0.00 0.02 0.00 0.00 56.10 57.70 2jfb s TRP 27 Cb 0.08 -3.32 -0.01 0.00 -1.15 0.00 0.00 33.47 29.07 2jfb s TRP 27 CO 0.41 -1.28 0.75 0.09 0.02 0.00 0.00 176.95 176.93 2jfb n ASN 28 N -0.34 -2.19 -0.30 2.95 3.02 -1.26 -4.66 115.26 112.49 2jfb n ASN 28 Ca 0.06 -0.82 0.03 0.00 -0.03 0.00 0.00 54.58 53.83 2jfb n ASN 28 Cb 0.48 -4.15 0.24 0.00 -0.61 0.00 0.00 39.78 35.73 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 -1.80 1.01 -0.77 3.52 9.65 -1.92 -2.11 114.38 121.96 2jfb h ARG 29 Ca -0.62 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.17 2jfb h ARG 29 Cb 1.35 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 29.67 2jfb h ARG 29 CO 0.54 0.67 0.34 -0.22 2.80 0.00 0.00 179.97 184.09 2jfb h LYS 30 N 1.04 1.13 -0.17 0.20 3.64 -1.91 0.02 116.57 120.52 2jfb h LYS 30 Ca 0.38 -0.19 -0.21 0.00 -1.27 0.00 0.00 60.65 59.35 2jfb h LYS 30 Cb 0.15 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2jfb h LYS 30 CO -0.13 0.90 -0.73 0.82 -2.27 0.00 0.00 179.45 178.04 2jfb h ILE 31 N 1.10 1.28 -0.08 2.00 2.04 -1.81 -3.10 117.51 118.96 2jfb h ILE 31 Ca 0.26 -1.94 0.01 0.00 1.00 0.00 0.00 64.86 64.20 2jfb h ILE 31 Cb 0.17 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 2jfb h ILE 31 CO -0.03 0.62 -0.02 0.40 0.00 0.00 0.00 178.15 179.12 2jfb h ILE 32 N 0.54 0.93 -0.66 -0.67 1.08 -1.13 -2.52 117.51 115.08 2jfb h ILE 32 Ca -0.04 -0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.54 2jfb h ILE 32 Cb 1.35 0.92 -0.08 0.00 -3.07 0.00 0.00 36.82 35.95 2jfb h ILE 32 CO 0.15 0.00 0.25 0.44 -0.69 0.00 0.00 178.15 178.30 2jfb h ASP 33 N 0.00 0.25 -0.69 1.72 3.32 -1.02 0.09 116.42 120.09 2jfb h ASP 33 Ca 0.04 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 2jfb h ASP 33 Cb 0.05 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2jfb h ASP 33 CO -0.08 0.13 0.17 0.00 -1.72 0.00 0.00 179.24 177.74 2jfb h ALA 34 N 1.46 0.90 -0.44 3.45 0.00 -1.45 -0.38 119.26 122.80 2jfb h ALA 34 Ca 0.34 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2jfb h ALA 34 Cb 0.45 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2jfb h ALA 34 CO -0.34 0.63 -0.02 -0.07 0.00 0.00 0.00 179.25 179.45 2jfb h LEU 35 N 1.03 0.79 -0.45 0.00 3.38 -0.93 -1.42 115.31 117.72 2jfb h LEU 35 Ca 0.22 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2jfb h LEU 35 Cb 0.37 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2jfb h LEU 35 CO 0.00 0.92 0.20 0.58 0.09 0.00 0.00 178.44 180.23 2jfb h VAL 36 N 0.64 1.19 -0.36 1.22 2.07 -0.83 0.47 116.25 120.66 2jfb h VAL 36 Ca 0.12 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2jfb h VAL 36 Cb 0.53 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2jfb h VAL 36 CO 0.03 0.22 0.15 0.00 0.02 0.00 0.00 177.57 177.98 2jfb h ALA 37 N 1.04 1.59 -0.13 1.67 0.00 -1.00 0.11 119.26 122.55 2jfb h ALA 37 Ca 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2jfb h ALA 37 Cb 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jfb h ALA 37 CO -0.02 0.32 -0.07 0.78 0.00 0.00 0.00 179.25 180.26 2jfb h GLY 38 N 0.64 0.30 0.92 0.00 0.00 -0.71 -0.95 103.07 103.28 2jfb h GLY 38 Ca 0.12 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.19 2jfb h GLY 38 CO -0.01 0.25 0.23 0.00 0.00 0.00 0.00 176.54 177.01 2jfb h ALA 39 N 0.65 0.48 -0.63 3.60 0.00 -0.55 -1.99 119.26 120.81 2jfb h ALA 39 Ca 0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2jfb h ALA 39 Cb 0.55 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2jfb h ALA 39 CO 0.02 -0.11 0.24 0.28 0.00 0.00 0.00 179.25 179.68 2jfb h VAL 40 N 0.46 1.24 -0.11 0.00 2.07 -0.79 -1.22 116.25 117.89 2jfb h VAL 40 Ca 0.15 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 2jfb h VAL 40 Cb -0.00 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2jfb h VAL 40 CO -0.07 0.30 0.06 0.50 0.02 0.00 0.00 177.57 178.38 2jfb h LYS 41 N 0.89 0.16 -0.28 1.57 3.64 -1.00 -2.44 116.57 119.11 2jfb h LYS 41 Ca 0.21 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.40 2jfb h LYS 41 Cb 0.22 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2jfb h LYS 41 CO -0.02 0.18 -0.52 -0.09 -2.27 0.00 0.00 179.45 176.73 2jfb h ARG 42 N 0.10 0.80 -0.44 1.90 9.65 -1.32 -2.59 114.38 122.47 2jfb h ARG 42 Ca 0.04 -0.49 0.09 0.00 -1.10 0.00 0.00 59.98 58.52 2jfb h ARG 42 Cb 0.07 0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 28.61 2jfb h ARG 42 CO -0.01 1.12 -0.11 -0.07 2.80 0.00 0.00 179.97 183.71 2jfb h LEU 43 N 0.62 -0.40 -1.43 3.80 4.07 -1.19 -1.86 115.31 118.92 2jfb h LEU 43 Ca 0.02 0.13 -0.06 0.00 0.08 0.00 0.00 57.88 58.05 2jfb h LEU 43 Cb 1.11 0.27 -0.01 0.00 1.08 0.00 0.00 40.66 43.11 2jfb h LEU 43 CO 0.11 -0.14 -0.29 1.56 -1.08 0.00 0.00 178.44 178.60 2jfb h GLN 44 N 0.00 0.00 0.00 1.13 4.20 -1.36 -2.21 115.11 116.87 2jfb h GLN 44 Ca 0.21 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 2jfb h GLN 44 Cb 0.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2jfb h GLN 44 CO -0.45 0.29 -0.29 0.93 -0.67 0.00 0.00 178.83 178.64 2jfb h GLU 45 N 0.00 0.00 -0.23 1.46 5.08 -0.95 -2.08 114.58 117.86 2jfb h GLU 45 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jfb h GLU 45 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2jfb h GLU 45 CO 0.04 0.29 0.00 1.19 -1.00 0.00 0.00 179.01 179.53 2jfb n PHE 46 N -3.73 0.30 -0.12 4.33 3.01 -0.93 -4.93 117.46 115.40 2jfb n PHE 46 Ca -0.01 -0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.30 2jfb n PHE 46 Cb 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 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 1.13 0.61 3.68 1.37 0.00 -0.78 -0.87 105.19 110.32 2jfb n GLY 47 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.20 3.92 0.32 1.61 1.01 -0.88 -3.50 120.40 120.67 2jfb s VAL 48 Ca 0.00 1.22 -0.26 0.00 0.00 0.00 0.00 61.98 62.94 2jfb s VAL 48 Cb 0.00 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 2jfb s VAL 48 CO 0.00 -0.05 0.95 -0.54 0.00 0.00 0.00 175.10 175.46 2jfb s LYS 49 N 2.93 4.61 0.31 2.72 1.02 -1.26 -3.91 119.74 126.16 2jfb s LYS 49 Ca 0.62 1.35 0.09 0.00 0.02 0.00 0.00 55.97 58.05 2jfb s LYS 49 Cb -0.28 -2.85 0.86 0.00 -0.52 0.00 0.00 37.83 35.04 2jfb s LYS 49 CO 0.23 0.30 1.73 0.93 -0.92 0.00 0.00 175.35 177.61 2jfb h GLU 50 N 3.27 0.55 -0.64 1.68 5.08 -1.94 0.18 114.58 122.76 2jfb h GLU 50 Ca -0.47 -0.03 0.13 0.00 -1.00 0.00 0.00 59.36 57.99 2jfb h GLU 50 Cb 1.19 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 2jfb h GLU 50 CO 0.65 0.36 0.43 0.93 -1.00 0.00 0.00 179.01 180.39 2jfb h GLU 51 N 0.57 0.32 -0.70 2.33 5.08 -2.01 -2.17 114.58 118.00 2jfb h GLU 51 Ca 0.63 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.97 2jfb h GLU 51 Cb 1.20 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2jfb h GLU 51 CO -0.48 0.21 0.00 0.09 -1.00 0.00 0.00 179.01 177.83 2jfb n ASN 52 N -4.46 4.39 -4.25 1.42 3.02 0.61 -4.72 115.26 111.27 2jfb n ASN 52 Ca 0.11 -2.22 -0.41 0.00 -0.03 0.00 0.00 54.58 52.03 2jfb n ASN 52 Cb 0.47 -0.54 -0.09 0.00 -0.61 0.00 0.00 39.78 39.02 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 -1.42 4.33 -0.32 2.41 1.01 -0.82 -0.92 121.20 125.47 2jfb s ILE 53 Ca 0.50 -1.58 -0.15 0.00 0.00 0.00 0.00 60.65 59.43 2jfb s ILE 53 Cb 0.29 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 2jfb s ILE 53 CO 0.29 -0.66 0.34 -0.63 0.00 0.00 0.00 174.94 174.28 2jfb s ILE 54 N 1.42 5.19 -0.21 2.92 -1.09 -0.72 -4.97 121.20 123.73 2jfb s ILE 54 Ca 0.04 0.12 -0.07 0.00 -2.23 0.00 0.00 60.65 58.52 2jfb s ILE 54 Cb -0.25 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 2jfb s ILE 54 CO 0.01 -0.02 0.05 -0.63 -1.23 0.00 0.00 174.94 173.12 2jfb s ILE 55 N 1.99 4.39 0.07 2.92 1.01 -1.26 -0.16 121.20 130.15 2jfb s ILE 55 Ca 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 60.65 60.60 2jfb s ILE 55 Cb -0.16 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 2jfb s ILE 55 CO 0.11 0.40 -0.04 -0.70 0.00 0.00 0.00 174.94 174.72 2jfb s GLU 56 N 1.00 0.69 0.12 2.79 2.56 0.06 -4.99 118.70 120.93 2jfb s GLU 56 Ca 0.03 -1.26 0.09 0.00 0.00 0.00 0.00 54.97 53.83 2jfb s GLU 56 Cb -0.14 0.08 -0.04 0.00 2.00 0.00 0.00 34.13 36.03 2jfb s GLU 56 CO 0.03 -0.09 -0.22 0.95 -0.56 0.00 0.00 175.26 175.37 2jfb s THR 57 N -3.83 1.91 0.24 -1.70 -4.23 -1.26 -1.66 115.64 105.11 2jfb s THR 57 Ca 0.09 -1.68 0.07 0.00 -1.18 0.00 0.00 61.69 58.99 2jfb s THR 57 Cb 0.07 -1.75 -0.05 0.00 1.34 0.00 0.00 72.50 72.11 2jfb s THR 57 CO -0.08 -0.06 -0.10 0.68 -0.54 0.00 0.00 174.62 174.53 2jfb s VAL 58 N -1.28 1.65 0.05 2.29 -7.23 -0.50 -4.90 120.40 110.48 2jfb s VAL 58 Ca 0.10 -2.16 -0.28 0.00 -1.81 0.00 0.00 61.98 57.83 2jfb s VAL 58 Cb -0.09 -2.24 -0.15 0.00 0.56 0.00 0.00 36.38 34.45 2jfb s VAL 58 CO 0.05 -0.45 1.42 -0.65 -0.31 0.00 0.00 175.10 175.17 2jfb h PRO 59 N 2.43 -0.94 -5.04 4.82 0.11 -1.95 -2.78 132.00 128.65 2jfb h PRO 59 Ca -0.39 0.06 -0.56 0.00 0.11 0.00 0.00 66.00 65.22 2jfb h PRO 59 Cb 1.23 0.21 -0.13 0.00 0.11 0.00 0.00 31.00 32.42 2jfb h PRO 59 CO 0.64 -0.63 -0.51 0.20 -0.21 0.00 0.00 178.00 177.49 2jfb s GLY 60 N -1.75 2.62 0.41 -0.55 0.00 -1.26 -1.70 107.32 105.10 2jfb s GLY 60 Ca -0.15 -1.23 0.15 0.00 0.00 0.00 0.00 44.72 43.49 2jfb s GLY 60 CO 0.44 -1.83 1.89 1.76 0.00 0.00 0.00 173.10 175.36 2jfb h SER 61 N 1.78 0.00 -0.06 1.64 0.02 -1.93 -2.38 113.55 112.62 2jfb h SER 61 Ca -0.35 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 2jfb h SER 61 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 2jfb h SER 61 CO 0.57 0.30 -0.02 0.15 -1.14 0.00 0.00 176.83 176.68 2jfb h PHE 62 N 0.00 0.24 0.00 3.45 3.57 -1.97 -2.30 116.94 119.93 2jfb h PHE 62 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2jfb h PHE 62 Cb 0.55 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.22 2jfb h PHE 62 CO 0.00 0.27 0.00 0.39 -2.23 0.00 0.00 178.31 176.74 2jfb n GLU 63 N -4.37 0.03 -0.03 1.11 4.71 -0.89 -4.18 120.64 117.02 2jfb n GLU 63 Ca -0.00 0.08 -0.11 0.00 -0.01 0.00 0.00 57.16 57.11 2jfb n GLU 63 Cb 0.19 -1.54 -0.05 0.00 -1.01 0.00 0.00 31.44 29.03 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 0.00 0.20 0.48 -4.62 3.38 -1.46 -0.10 115.31 113.19 2jfb h LEU 64 Ca 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2jfb h LEU 64 Cb 0.48 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2jfb h LEU 64 CO 0.00 0.22 -0.42 -0.65 0.09 0.00 0.00 178.44 177.67 2jfb h PRO 65 N 0.16 -0.87 -0.13 1.13 0.11 -1.77 0.13 132.00 130.76 2jfb h PRO 65 Ca 0.06 0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 2jfb h PRO 65 Cb 0.06 0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 2jfb h PRO 65 CO -0.01 -0.58 -0.45 -0.92 -0.21 0.00 0.00 178.00 175.84 2jfb h TYR 66 N -0.90 0.37 -0.93 0.65 3.20 -1.83 -2.40 116.97 115.13 2jfb h TYR 66 Ca -0.05 -0.11 0.04 0.00 3.14 0.00 0.00 58.73 61.75 2jfb h TYR 66 Cb 0.78 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.92 2jfb h TYR 66 CO -0.20 0.71 0.61 0.78 -1.64 0.00 0.00 178.16 178.41 2jfb h GLY 67 N 1.23 1.36 1.01 1.82 0.00 -0.94 -1.48 103.07 106.08 2jfb h GLY 67 Ca 0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2jfb h GLY 67 CO 0.07 0.39 0.41 1.76 0.00 0.00 0.00 176.54 179.17 2jfb h SER 68 N 1.17 0.92 -0.33 0.19 0.02 -0.25 0.31 113.55 115.59 2jfb h SER 68 Ca 0.37 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 2jfb h SER 68 Cb 0.01 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2jfb h SER 68 CO -0.12 0.75 0.07 0.50 -1.14 0.00 0.00 176.83 176.88 2jfb h LYS 69 N 1.02 0.54 -0.66 3.45 3.64 -1.18 -0.54 116.57 122.84 2jfb h LYS 69 Ca 0.26 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 2jfb h LYS 69 Cb 0.03 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2jfb h LYS 69 CO -0.04 0.61 0.13 -0.07 -2.27 0.00 0.00 179.45 177.80 2jfb h LEU 70 N 0.38 1.02 -0.00 5.20 3.38 -0.99 0.15 115.31 124.45 2jfb h LEU 70 Ca 0.10 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2jfb h LEU 70 Cb 0.32 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2jfb h LEU 70 CO 0.00 1.00 0.00 0.15 0.09 0.00 0.00 178.44 179.68 2jfb h PHE 71 N 1.01 0.00 -0.55 1.13 3.57 -0.30 -0.34 116.94 121.46 2jfb h PHE 71 Ca 0.21 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.73 2jfb h PHE 71 Cb 0.40 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 2jfb h PHE 71 CO 0.03 0.11 0.34 0.28 -2.23 0.00 0.00 178.31 176.84 2jfb h VAL 72 N -0.11 1.07 -0.55 1.41 2.07 -0.92 -2.07 116.25 117.15 2jfb h VAL 72 Ca 0.00 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 2jfb h VAL 72 Cb 0.11 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 2jfb h VAL 72 CO -0.00 0.12 -0.08 -0.33 0.02 0.00 0.00 177.57 177.31 2jfb h GLU 73 N 0.68 1.01 -0.71 1.57 4.39 -0.85 -1.87 114.58 118.80 2jfb h GLU 73 Ca 0.22 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 2jfb h GLU 73 Cb 0.01 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 2jfb h GLU 73 CO -0.09 1.04 0.32 -0.22 -1.16 0.00 0.00 179.01 178.90 2jfb h LYS 74 N 0.91 1.04 -0.34 2.33 3.64 -0.92 -2.59 116.57 120.64 2jfb h LYS 74 Ca 0.15 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2jfb h LYS 74 Cb 0.63 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2jfb h LYS 74 CO 0.04 0.83 -0.11 1.96 -2.27 0.00 0.00 179.45 179.91 2jfb h GLN 75 N 1.00 0.58 0.24 1.90 1.08 -1.22 -2.25 115.11 116.44 2jfb h GLN 75 Ca 0.24 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2jfb h GLN 75 Cb 0.15 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2jfb h GLN 75 CO -0.03 0.68 -0.17 0.87 -0.95 0.00 0.00 178.83 179.23 2jfb h LYS 76 N 0.54 -0.40 0.00 1.46 1.57 -1.02 -1.05 116.57 117.68 2jfb h LYS 76 Ca 0.10 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2jfb h LYS 76 Cb 0.50 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2jfb h LYS 76 CO 0.03 -0.27 0.00 2.89 -0.57 0.00 0.00 179.45 181.53 2jfb n ARG 77 N -5.30 0.06 0.03 3.15 1.85 -1.01 -1.63 116.66 113.82 2jfb n ARG 77 Ca -0.09 0.19 0.13 0.00 -1.00 0.00 0.00 57.85 57.08 2jfb n ARG 77 Cb 0.21 -1.58 0.35 0.00 -1.05 0.00 0.00 32.46 30.39 2jfb n ARG 77 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2jfb n LEU 78 N -1.68 0.47 -0.03 2.89 4.32 -0.86 -4.94 117.00 117.17 2jfb n LEU 78 Ca 0.05 0.29 -0.00 0.00 -0.02 0.00 0.00 56.01 56.32 2jfb n LEU 78 Cb 0.26 -0.31 -0.00 0.00 -1.62 0.00 0.00 43.42 41.75 2jfb n LEU 78 CO 0.21 -0.01 -0.00 0.61 -1.22 0.00 0.00 177.39 176.98 2jfb n GLY 79 N 1.42 0.42 2.40 -0.72 0.00 -0.65 -4.98 105.19 103.09 2jfb n GLY 79 Ca 0.05 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.98 1.82 -2.01 1.61 4.76 -0.42 -5.04 118.16 115.91 2jfb n LYS 80 Ca -0.00 -4.03 -0.35 0.00 -2.87 0.00 0.00 58.31 51.05 2jfb n LYS 80 Cb 0.01 -1.83 0.03 0.00 -1.84 0.00 0.00 35.03 31.40 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 -2.25 3.00 0.06 1.97 0.04 -1.21 -4.54 135.00 132.07 2jfb s PRO 81 Ca 0.40 1.70 -0.23 0.00 0.04 0.00 0.00 61.00 62.91 2jfb s PRO 81 Cb 0.21 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.75 2jfb s PRO 81 CO -0.08 -1.16 0.68 -0.51 0.04 0.00 0.00 177.00 175.98 2jfb s LEU 82 N -4.18 4.48 0.19 -3.56 1.43 -1.26 -4.72 118.68 111.05 2jfb s LEU 82 Ca 0.74 1.37 0.21 0.00 -1.03 0.00 0.00 54.13 55.42 2jfb s LEU 82 Cb -0.27 -3.09 -0.01 0.00 0.03 0.00 0.00 46.19 42.85 2jfb s LEU 82 CO 0.33 0.12 1.04 0.44 0.23 0.00 0.00 176.35 178.52 2jfb h ASP 83 N 5.21 0.00 -4.73 2.29 3.32 -0.77 -3.48 116.42 118.25 2jfb h ASP 83 Ca -0.46 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.61 2jfb h ASP 83 Cb 1.21 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.58 2jfb h ASP 83 CO 0.68 0.14 0.34 0.00 -1.72 0.00 0.00 179.24 178.68 2jfb s ALA 84 N -3.25 -1.78 -0.02 3.45 0.00 -1.23 -4.23 121.76 114.70 2jfb s ALA 84 Ca -0.00 1.12 0.05 0.00 0.00 0.00 0.00 51.96 53.13 2jfb s ALA 84 Cb 0.09 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 2jfb s ALA 84 CO 0.79 -0.52 -0.17 -1.50 0.00 0.00 0.00 175.76 174.36 2jfb s ILE 85 N -2.19 1.36 -0.56 0.00 2.07 -0.49 -1.18 121.20 120.21 2jfb s ILE 85 Ca -0.03 -0.73 0.02 0.00 -1.41 0.00 0.00 60.65 58.50 2jfb s ILE 85 Cb -0.01 -1.14 0.14 0.00 0.13 0.00 0.00 42.46 41.59 2jfb s ILE 85 CO -0.01 0.39 0.33 -0.63 -1.91 0.00 0.00 174.94 173.10 2jfb s ILE 86 N -0.35 2.93 -0.02 2.00 1.01 0.57 -1.42 121.20 125.92 2jfb s ILE 86 Ca 0.05 -3.30 -0.30 0.00 0.00 0.00 0.00 60.65 57.11 2jfb s ILE 86 Cb -0.07 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 2jfb s ILE 86 CO -0.00 -0.84 1.47 -2.16 0.00 0.00 0.00 174.94 173.41 2jfb s PRO 87 N -0.32 4.25 -0.16 2.79 0.04 -1.24 -2.60 135.00 137.76 2jfb s PRO 87 Ca 0.18 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.25 2jfb s PRO 87 Cb -0.23 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.64 2jfb s PRO 87 CO -0.02 -0.66 -0.17 0.42 0.04 0.00 0.00 177.00 176.61 2jfb s ILE 88 N 2.86 2.46 0.04 0.56 1.01 0.15 -2.12 121.20 126.15 2jfb s ILE 88 Ca 0.66 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 2jfb s ILE 88 Cb -0.32 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 2jfb s ILE 88 CO 0.27 0.52 -0.03 -0.83 0.00 0.00 0.00 174.94 174.87 2jfb s GLY 89 N 0.88 0.36 -0.17 6.18 0.00 -0.91 -0.95 107.32 112.71 2jfb s GLY 89 Ca -0.04 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.79 2jfb s GLY 89 CO -0.02 -0.97 -0.08 0.14 0.00 0.00 0.00 173.10 172.17 2jfb s VAL 90 N -2.61 1.31 -0.18 1.40 1.01 -1.26 -0.45 120.40 119.62 2jfb s VAL 90 Ca -0.05 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 2jfb s VAL 90 Cb -0.02 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.95 2jfb s VAL 90 CO -0.05 0.20 -0.13 -0.76 0.00 0.00 0.00 175.10 174.36 2jfb s LEU 91 N 1.55 2.51 -0.12 3.92 1.43 0.47 -4.80 118.68 123.64 2jfb s LEU 91 Ca 0.01 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.59 2jfb s LEU 91 Cb -0.15 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 2jfb s LEU 91 CO -0.08 0.02 -0.05 -0.63 0.23 0.00 0.00 176.35 175.84 2jfb s ILE 92 N 1.18 3.79 0.10 -0.59 -1.09 -1.26 -1.13 121.20 122.20 2jfb s ILE 92 Ca 0.02 -0.41 -0.31 0.00 -2.23 0.00 0.00 60.65 57.72 2jfb s ILE 92 Cb -0.14 -2.62 -0.10 0.00 -1.58 0.00 0.00 42.46 38.02 2jfb s ILE 92 CO -0.05 0.53 1.85 -0.75 -1.23 0.00 0.00 174.94 175.28 2jfb s LYS 93 N -0.04 4.14 0.00 2.79 2.47 -0.37 -4.85 119.74 123.88 2jfb s LYS 93 Ca 0.01 2.57 0.00 0.00 -1.56 0.00 0.00 55.97 56.99 2jfb s LYS 93 Cb -0.13 -3.73 0.00 0.00 -1.46 0.00 0.00 37.83 32.51 2jfb s LYS 93 CO 0.03 -0.86 0.00 0.41 0.16 0.00 0.00 175.35 175.09 2jfb n GLY 94 N 4.29 2.33 0.09 5.54 0.00 -1.26 -4.87 105.19 111.31 2jfb n GLY 94 Ca 0.18 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 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 0.14 -3.10 1.61 0.02 -2.03 -3.48 113.55 106.71 2jfb h SER 95 Ca 0.00 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 2jfb h SER 95 Cb 0.00 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.50 2jfb h SER 95 CO 0.00 1.21 0.01 0.35 -1.14 0.00 0.00 176.83 177.27 2jfb n THR 96 N -3.23 0.00 0.23 -2.27 -2.24 -1.26 -5.00 114.28 100.51 2jfb n THR 96 Ca -0.16 -0.11 0.10 0.00 -2.27 0.00 0.00 64.05 61.61 2jfb n THR 96 Cb 1.03 -1.49 0.26 0.00 -2.10 0.00 0.00 70.33 68.03 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 -1.16 2.34 -0.17 -0.78 0.00 -1.26 -4.46 117.12 111.64 2jfb n MET 97 Ca 0.01 -2.07 -0.02 0.00 0.00 0.00 0.00 57.70 55.62 2jfb n MET 97 Cb 0.04 -1.46 0.06 0.00 0.00 0.00 0.00 33.22 31.86 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 3.50 -0.09 -0.31 2.03 -0.00 -1.97 -2.41 115.15 115.90 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 0.79 0.12 -0.08 0.00 -0.00 0.00 0.00 27.41 28.24 2jfb h HIS 98 CO 0.35 -0.15 -0.31 0.35 -0.00 0.00 0.00 177.93 178.18 2jfb h PHE 99 N 0.09 -0.85 -0.26 5.26 3.57 -1.89 -1.43 116.94 121.43 2jfb h PHE 99 Ca 0.26 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.83 2jfb h PHE 99 Cb 0.40 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2jfb h PHE 99 CO -0.35 -0.37 0.13 0.93 -2.23 0.00 0.00 178.31 176.41 2jfb h GLU 100 N -0.29 0.26 0.00 1.11 3.07 -1.76 -1.72 114.58 115.26 2jfb h GLU 100 Ca 0.15 -0.02 -0.17 0.00 -0.50 0.00 0.00 59.36 58.82 2jfb h GLU 100 Cb 0.53 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 2jfb h GLU 100 CO -0.47 0.17 -0.81 1.88 -1.40 0.00 0.00 179.01 178.39 2jfb h TYR 101 N 0.27 0.00 -0.18 4.33 0.05 -1.33 -1.48 116.97 118.63 2jfb h TYR 101 Ca 0.11 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.77 2jfb h TYR 101 Cb 0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 2jfb h TYR 101 CO -0.10 0.81 -0.34 0.82 -1.05 0.00 0.00 178.16 178.30 2jfb h ILE 102 N 0.00 1.34 -0.44 -2.88 1.08 -1.22 -2.98 117.51 112.41 2jfb h ILE 102 Ca -0.01 -1.57 -0.02 0.00 -0.39 0.00 0.00 64.86 62.87 2jfb h ILE 102 Cb 1.52 1.91 -0.02 0.00 -3.07 0.00 0.00 36.82 37.17 2jfb h ILE 102 CO 0.10 0.48 0.20 0.00 -0.69 0.00 0.00 178.15 178.24 2jfb h ASP 104 N 0.57 -1.06 0.76 0.00 3.58 -1.31 -2.12 116.42 116.83 2jfb h ASP 104 Ca 0.15 0.08 -0.13 0.00 0.42 0.00 0.00 57.03 57.55 2jfb h ASP 104 Cb 0.15 0.34 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 2jfb h ASP 104 CO -0.02 -0.56 -0.61 0.77 -2.88 0.00 0.00 179.24 175.95 2jfb h SER 105 N -0.87 0.00 -0.06 2.28 4.64 -1.61 -2.86 113.55 115.06 2jfb h SER 105 Ca -0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 2jfb h SER 105 Cb 0.73 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2jfb h SER 105 CO 0.00 0.61 0.02 0.74 -0.87 0.00 0.00 176.83 177.32 2jfb h THR 106 N 0.00 1.18 -0.30 2.95 2.02 -1.43 -2.08 112.91 115.25 2jfb h THR 106 Ca -0.01 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 2jfb h THR 106 Cb 1.15 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 2jfb h THR 106 CO 0.08 0.16 0.18 0.74 0.37 0.00 0.00 175.52 177.04 2jfb h THR 107 N -0.11 1.11 -0.88 3.16 2.02 -1.36 -0.03 112.91 116.83 2jfb h THR 107 Ca 0.02 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2jfb h THR 107 Cb 0.23 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 2jfb h THR 107 CO -0.00 0.11 0.51 0.45 0.37 0.00 0.00 175.52 176.96 2jfb h HIS 108 N 0.38 1.18 -0.18 3.16 3.86 -1.54 -0.73 115.15 121.29 2jfb h HIS 108 Ca 0.11 -0.01 -0.20 0.00 -1.16 0.00 0.00 60.37 59.10 2jfb h HIS 108 Cb 0.03 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.12 2jfb h HIS 108 CO -0.04 0.80 -0.70 1.96 0.86 0.00 0.00 177.93 180.81 2jfb h GLN 109 N 1.22 0.72 -0.57 2.45 1.08 -1.09 -1.34 115.11 117.59 2jfb h GLN 109 Ca 0.31 -0.54 -0.08 0.00 -1.45 0.00 0.00 58.65 56.89 2jfb h GLN 109 Cb -0.02 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2jfb h GLN 109 CO -0.06 1.16 0.04 -0.07 -0.95 0.00 0.00 178.83 178.96 2jfb h LEU 110 N 0.51 0.91 -0.34 1.46 3.38 -0.85 -0.77 115.31 119.61 2jfb h LEU 110 Ca -0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2jfb h LEU 110 Cb 1.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2jfb h LEU 110 CO 0.14 0.94 0.14 -0.03 0.09 0.00 0.00 178.44 179.72 2jfb h MET 111 N 0.88 0.50 -0.34 1.13 4.05 -1.08 -3.04 114.93 117.03 2jfb h MET 111 Ca 0.17 -0.09 -0.05 0.00 -0.28 0.00 0.00 59.70 59.45 2jfb h MET 111 Cb 0.46 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 2jfb h MET 111 CO 0.02 0.49 -0.01 0.87 0.23 0.00 0.00 176.91 178.51 2jfb h LYS 112 N 0.40 0.53 -0.41 0.39 1.57 -1.03 -3.17 116.57 114.84 2jfb h LYS 112 Ca 0.11 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2jfb h LYS 112 Cb 0.18 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2jfb h LYS 112 CO -0.01 0.56 0.28 -0.07 -0.57 0.00 0.00 179.45 179.64 2jfb h LEU 113 N 0.50 0.25 -0.68 2.94 4.07 -1.01 -1.89 115.31 119.49 2jfb h LEU 113 Ca 0.11 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.21 2jfb h LEU 113 Cb 0.34 -0.05 -0.13 0.00 1.08 0.00 0.00 40.66 41.90 2jfb h LEU 113 CO 0.01 0.17 -0.15 0.78 -1.08 0.00 0.00 178.44 178.16 2jfb h ASN 114 N 0.29 -0.60 1.01 -0.43 2.35 -1.62 0.18 115.58 116.76 2jfb h ASN 114 Ca 0.18 0.20 -0.21 0.00 -0.55 0.00 0.00 56.30 55.93 2jfb h ASN 114 Cb 0.35 0.41 -0.03 0.00 0.05 0.00 0.00 38.32 39.10 2jfb h ASN 114 CO -0.04 -0.22 -1.00 -0.26 -1.65 0.00 0.00 177.43 174.26 2jfb h PHE 115 N 0.01 0.00 0.15 1.19 -1.00 -1.56 -2.34 116.94 113.38 2jfb h PHE 115 Ca 0.33 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.85 2jfb h PHE 115 Cb 0.51 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.10 2jfb h PHE 115 CO -0.54 0.96 -1.10 1.49 -1.61 0.00 0.00 178.31 177.52 2jfb h GLU 116 N 0.00 0.49 0.00 1.51 4.81 -1.13 -3.32 114.58 116.93 2jfb h GLU 116 Ca -0.02 -0.72 -0.12 0.00 -0.13 0.00 0.00 59.36 58.37 2jfb h GLU 116 Cb 1.75 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 31.37 2jfb h GLU 116 CO 0.12 1.33 -0.77 -0.07 -0.73 0.00 0.00 179.01 178.89 2jfb h LEU 117 N 0.01 0.00 0.08 1.64 3.38 -0.78 -3.48 115.31 116.17 2jfb h LEU 117 Ca -0.18 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2jfb h LEU 117 Cb 1.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 2jfb h LEU 117 CO 0.21 0.51 -0.03 0.61 0.09 0.00 0.00 178.44 179.83 2jfb n GLY 118 N 1.27 0.53 3.23 0.83 0.00 -0.88 -5.04 105.19 105.13 2jfb n GLY 118 Ca -0.01 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.98 1.20 0.15 -0.61 -4.36 -1.21 -5.05 121.20 109.34 2jfb s ILE 119 Ca 0.00 -1.77 -0.31 0.00 -0.26 0.00 0.00 60.65 58.30 2jfb s ILE 119 Cb 0.00 -1.55 -0.10 0.00 1.25 0.00 0.00 42.46 42.06 2jfb s ILE 119 CO 0.00 -0.53 1.63 -2.84 0.24 0.00 0.00 174.94 173.44 2jfb s PRO 120 N -2.94 4.19 -0.33 0.37 0.02 -1.26 -4.34 135.00 130.71 2jfb s PRO 120 Ca 0.10 2.41 -0.05 0.00 0.02 0.00 0.00 61.00 63.49 2jfb s PRO 120 Cb -0.03 -3.26 0.05 0.00 0.02 0.00 0.00 34.50 31.28 2jfb s PRO 120 CO 0.02 -0.67 0.08 0.08 -0.33 0.00 0.00 177.00 176.18 2jfb s VAL 121 N 1.56 3.48 -0.16 3.83 1.01 -1.26 -1.40 120.40 127.46 2jfb s VAL 121 Ca 0.72 -1.31 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 2jfb s VAL 121 Cb -0.44 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 2jfb s VAL 121 CO 0.32 -0.21 0.70 -0.63 0.00 0.00 0.00 175.10 175.28 2jfb s ILE 122 N 1.33 4.99 -0.52 2.22 -1.09 -0.51 -4.89 121.20 122.73 2jfb s ILE 122 Ca -0.02 1.36 -0.27 0.00 -2.23 0.00 0.00 60.65 59.49 2jfb s ILE 122 Cb -0.20 -4.02 -0.02 0.00 -1.58 0.00 0.00 42.46 36.64 2jfb s ILE 122 CO 0.01 0.12 1.83 0.12 -1.23 0.00 0.00 174.94 175.78 2jfb s PHE 123 N 1.72 1.73 -0.26 3.97 5.36 -1.26 -3.68 117.98 125.56 2jfb s PHE 123 Ca 0.33 0.75 0.10 0.00 -0.96 0.00 0.00 56.93 57.15 2jfb s PHE 123 Cb -0.16 -4.10 0.48 0.00 -0.34 0.00 0.00 43.02 38.89 2jfb s PHE 123 CO 0.12 -2.46 1.39 0.41 -1.46 0.00 0.00 175.22 173.23 2jfb n GLY 124 N 5.59 4.95 3.64 13.12 0.00 -0.90 -4.99 105.19 126.60 2jfb n GLY 124 Ca 0.21 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.23 5.30 -0.03 1.61 1.01 -1.25 -2.15 120.40 121.66 2jfb s VAL 125 Ca 0.43 0.16 -0.23 0.00 0.00 0.00 0.00 61.98 62.33 2jfb s VAL 125 Cb 0.39 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2jfb s VAL 125 CO -0.02 0.33 0.70 -0.76 0.00 0.00 0.00 175.10 175.35 2jfb s LEU 126 N 1.22 4.36 -0.67 3.92 1.43 0.41 -4.93 118.68 124.42 2jfb s LEU 126 Ca 0.07 1.24 0.05 0.00 -1.03 0.00 0.00 54.13 54.46 2jfb s LEU 126 Cb -0.14 -3.10 0.17 0.00 0.03 0.00 0.00 46.19 43.15 2jfb s LEU 126 CO 0.06 -0.06 0.46 0.42 0.23 0.00 0.00 176.35 177.46 2jfb s THR 127 N 0.47 2.67 0.22 5.49 -4.23 -1.26 -0.39 115.64 118.61 2jfb s THR 127 Ca 0.37 -4.07 0.07 0.00 -1.18 0.00 0.00 61.69 56.89 2jfb s THR 127 Cb -0.18 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 2jfb s THR 127 CO 0.19 -1.00 0.08 0.00 -0.54 0.00 0.00 174.62 173.35 2jfb n LEU 129 N -0.64 0.82 -4.17 0.00 4.77 -1.26 -1.24 117.00 115.27 2jfb n LEU 129 Ca -0.08 0.36 -0.12 0.00 -0.03 0.00 0.00 56.01 56.14 2jfb n LEU 129 Cb 0.57 0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.63 2jfb n LEU 129 CO 0.41 0.13 -0.39 0.42 -1.33 0.00 0.00 177.39 176.63 2jfb s THR 130 N -2.96 0.77 0.29 -5.08 -4.23 -1.26 -4.27 115.64 98.90 2jfb s THR 130 Ca -0.03 -1.86 -0.02 0.00 -1.18 0.00 0.00 61.69 58.60 2jfb s THR 130 Cb 0.09 -1.59 0.26 0.00 1.34 0.00 0.00 72.50 72.60 2jfb s THR 130 CO 0.81 -0.79 1.95 0.44 -0.54 0.00 0.00 174.62 176.50 2jfb h ASP 131 N 3.12 0.97 -0.33 3.99 3.32 -1.96 -2.98 116.42 122.55 2jfb h ASP 131 Ca -0.36 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.71 2jfb h ASP 131 Cb 1.17 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.45 2jfb h ASP 131 CO 0.62 0.69 0.11 -0.33 -1.72 0.00 0.00 179.24 178.61 2jfb h GLU 132 N 1.14 0.25 -0.51 3.56 5.08 -1.98 -1.22 114.58 120.89 2jfb h GLU 132 Ca 0.33 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.74 2jfb h GLU 132 Cb -0.08 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.06 2jfb h GLU 132 CO -0.08 0.16 0.20 1.96 -1.00 0.00 0.00 179.01 180.25 2jfb h GLN 133 N 0.25 0.37 -0.37 2.33 4.20 -1.95 0.18 115.11 120.13 2jfb h GLN 133 Ca 0.15 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.71 2jfb h GLN 133 Cb 0.12 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2jfb h GLN 133 CO -0.16 0.25 -0.29 0.00 -0.67 0.00 0.00 178.83 177.96 2jfb h ALA 134 N 1.33 0.78 -0.54 3.87 0.00 -1.48 -1.29 119.26 121.94 2jfb h ALA 134 Ca 0.24 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2jfb h ALA 134 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2jfb h ALA 134 CO -0.24 0.65 0.19 0.93 0.00 0.00 0.00 179.25 180.79 2jfb h GLU 135 N 0.68 0.82 -0.53 0.00 5.08 -0.73 -2.22 114.58 117.68 2jfb h GLU 135 Ca 0.08 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 2jfb h GLU 135 Cb 0.83 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2jfb h GLU 135 CO 0.07 0.73 -0.06 0.00 -1.00 0.00 0.00 179.01 178.76 2jfb h ALA 136 N 1.05 0.90 -0.00 3.43 0.00 -0.52 0.14 119.26 124.26 2jfb h ALA 136 Ca 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jfb h ALA 136 Cb 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jfb h ALA 136 CO -0.01 0.64 -0.02 0.54 0.00 0.00 0.00 179.25 180.40 2jfb n ARG 137 N -4.17 0.91 -0.14 0.00 1.74 -0.50 -2.26 116.66 112.25 2jfb n ARG 137 Ca 0.02 -0.13 0.07 0.00 -0.77 0.00 0.00 57.85 57.04 2jfb n ARG 137 Cb 0.36 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.44 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 -0.93 2.31 -2.07 7.54 0.00 -0.84 -0.96 120.51 125.55 2jfb n ALA 138 Ca 0.20 -0.97 -0.11 0.00 0.00 0.00 0.00 53.44 52.56 2jfb n ALA 138 Cb 0.19 -0.51 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 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 0.75 0.12 0.01 0.00 0.00 -0.96 -4.55 105.19 100.55 2jfb n GLY 139 Ca 0.12 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.57 0.52 -4.58 0.99 4.77 0.01 -4.76 117.00 112.36 2jfb n LEU 140 Ca -0.13 0.04 -0.36 0.00 -0.03 0.00 0.00 56.01 55.52 2jfb n LEU 140 Cb 0.57 -0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.31 2jfb n LEU 140 CO 0.16 0.10 -0.22 -0.63 -1.33 0.00 0.00 177.39 175.47 2jfb s ILE 141 N -3.03 4.95 0.18 -0.08 1.01 -1.25 -4.98 121.20 118.00 2jfb s ILE 141 Ca 0.10 0.04 -0.33 0.00 0.00 0.00 0.00 60.65 60.47 2jfb s ILE 141 Cb 0.17 -3.31 -0.12 0.00 0.01 0.00 0.00 42.46 39.21 2jfb s ILE 141 CO 0.70 0.35 1.70 -0.62 0.00 0.00 0.00 174.94 177.07 2jfb n GLU 142 N 4.45 2.59 -0.94 2.79 1.02 -1.26 -2.72 120.64 126.57 2jfb n GLU 142 Ca -0.15 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 2jfb n GLU 142 Cb 0.52 -2.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.17 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 3.85 0.38 3.26 0.62 0.00 -1.26 -4.99 105.19 107.04 2jfb n GLY 143 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.71 3.17 1.93 1.61 2.20 -1.10 -5.07 119.74 121.75 2jfb s LYS 144 Ca 0.00 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.81 2jfb s LYS 144 Cb 0.00 -2.49 0.00 0.00 -1.51 0.00 0.00 37.83 33.83 2jfb s LYS 144 CO 0.00 0.11 0.00 -1.33 -0.36 0.00 0.00 175.35 173.77 2jfb n MET 145 N 3.77 0.00 -4.00 4.03 2.81 -1.26 -4.74 117.12 117.73 2jfb n MET 145 Ca -0.19 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.60 2jfb n MET 145 Cb 0.52 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.97 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 0.44 -0.43 2.03 -3.43 -1.26 -4.97 115.29 107.67 2jfb s HIS 146 Ca 0.00 -0.78 -0.29 0.00 -0.80 0.00 0.00 55.06 53.19 2jfb s HIS 146 Cb 0.00 0.05 0.01 0.00 -1.43 0.00 0.00 32.58 31.21 2jfb s HIS 146 CO 0.00 -0.88 1.39 1.21 -2.00 0.00 0.00 174.74 174.46 2jfb s ASN 147 N -3.01 6.34 0.55 7.38 3.84 -1.26 -3.81 114.94 124.97 2jfb s ASN 147 Ca 0.22 0.76 0.27 0.00 0.21 0.00 0.00 52.86 54.32 2jfb s ASN 147 Cb 0.01 -2.54 1.59 0.00 -0.55 0.00 0.00 41.25 39.76 2jfb s ASN 147 CO 0.06 -1.44 2.16 0.45 -2.79 0.00 0.00 177.10 175.54 2jfb h HIS 148 N 10.62 0.00 -0.95 0.43 3.86 -1.36 -2.44 115.15 125.32 2jfb h HIS 148 Ca -0.27 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.07 2jfb h HIS 148 Cb 1.10 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.49 2jfb h HIS 148 CO 0.97 0.07 0.60 0.78 0.86 0.00 0.00 177.93 181.21 2jfb h GLY 149 N 0.41 1.43 1.19 2.45 0.00 -1.79 -1.61 103.07 105.14 2jfb h GLY 149 Ca -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2jfb h GLY 149 CO 0.01 0.12 0.31 0.83 0.00 0.00 0.00 176.54 177.81 2jfb h GLU 150 N 0.84 1.05 -0.70 4.80 5.08 -1.52 -1.90 114.58 122.24 2jfb h GLU 150 Ca 0.47 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2jfb h GLU 150 Cb 0.60 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2jfb h GLU 150 CO -0.24 0.83 0.43 -0.44 -1.00 0.00 0.00 179.01 178.60 2jfb h ASP 151 N 1.03 0.83 -0.49 1.42 3.32 -1.43 -2.12 116.42 118.98 2jfb h ASP 151 Ca 0.24 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 2jfb h ASP 151 Cb 0.16 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2jfb h ASP 151 CO -0.03 0.63 -0.02 -0.50 -1.72 0.00 0.00 179.24 177.61 2jfb h TRP 152 N 0.95 1.00 -0.08 4.55 6.55 -1.06 0.31 115.95 128.18 2jfb h TRP 152 Ca 0.25 -0.16 -0.00 0.00 0.95 0.00 0.00 58.89 59.93 2jfb h TRP 152 Cb -0.05 -0.27 -0.00 0.00 -0.86 0.00 0.00 29.16 27.98 2jfb h TRP 152 CO -0.02 0.91 0.05 0.78 -1.05 0.00 0.00 178.44 179.12 2jfb h GLY 153 N 0.99 0.12 0.99 1.49 0.00 -1.22 -1.20 103.07 104.24 2jfb h GLY 153 Ca 0.15 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.45 2jfb h GLY 153 CO 0.03 0.05 0.66 0.00 0.00 0.00 0.00 176.54 177.27 2jfb h ALA 154 N 1.00 1.26 -0.51 3.60 0.00 -1.09 -2.70 119.26 120.82 2jfb h ALA 154 Ca 0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2jfb h ALA 154 Cb 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2jfb h ALA 154 CO -0.01 0.63 0.07 0.00 0.00 0.00 0.00 179.25 179.95 2jfb h ALA 155 N 1.37 0.68 -0.58 0.00 0.00 -0.77 -2.28 119.26 117.67 2jfb h ALA 155 Ca 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jfb h ALA 155 Cb -0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 2jfb h ALA 155 CO -0.08 0.43 0.38 0.00 0.00 0.00 0.00 179.25 179.97 2jfb h ALA 156 N 0.97 0.74 -0.40 0.00 0.00 -0.95 -1.01 119.26 118.61 2jfb h ALA 156 Ca 0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2jfb h ALA 156 Cb 0.42 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jfb h ALA 156 CO 0.01 0.19 -0.07 0.28 0.00 0.00 0.00 179.25 179.66 2jfb h VAL 157 N 0.79 1.27 -0.17 0.00 2.07 -1.43 -2.64 116.25 116.14 2jfb h VAL 157 Ca 0.21 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 2jfb h VAL 157 Cb -0.07 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2jfb h VAL 157 CO -0.04 0.38 0.06 -0.08 0.02 0.00 0.00 177.57 177.91 2jfb h GLU 158 N 0.57 0.26 0.00 1.57 4.81 -1.19 -2.55 114.58 118.06 2jfb h GLU 158 Ca 0.10 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2jfb h GLU 158 Cb 0.59 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2jfb h GLU 158 CO 0.04 0.37 -0.30 0.52 -0.73 0.00 0.00 179.01 178.91 2jfb h MET 159 N 0.10 0.00 0.00 1.92 2.86 -1.21 0.15 114.93 118.76 2jfb h MET 159 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2jfb h MET 159 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2jfb h MET 159 CO -0.00 0.30 -0.39 0.00 1.06 0.00 0.00 176.91 177.88 2jfb n ALA 160 N -2.36 2.79 -0.05 6.32 0.00 -1.00 -4.50 120.51 121.71 2jfb n ALA 160 Ca -0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.14 2jfb n ALA 160 Cb 0.39 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.00 0.56 -0.32 0.00 -1.04 -0.93 -4.74 114.28 105.82 2jfb n THR 161 Ca 0.05 -0.17 0.12 0.00 -2.04 0.00 0.00 64.05 62.01 2jfb n THR 161 Cb 0.41 -1.37 0.30 0.00 -1.82 0.00 0.00 70.33 67.85 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 -0.24 0.55 -0.64 -2.82 3.64 -0.94 -2.16 116.57 113.96 2jfb h LYS 162 Ca -0.24 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2jfb h LYS 162 Cb 1.26 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2jfb h LYS 162 CO -0.12 0.36 0.00 1.19 -2.27 0.00 0.00 179.45 178.62 2jfb n PHE 163 N -4.91 1.22 1.51 1.91 3.01 -1.26 -5.14 117.46 113.81 2jfb n PHE 163 Ca 0.21 -0.58 0.12 0.00 1.01 0.00 0.00 57.45 58.22 2jfb n PHE 163 Cb 0.58 -0.15 0.72 0.00 -0.01 0.00 0.00 39.48 40.62 2jfb n PHE 163 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86