#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfb s ASP 14 N 0.00 6.52 0.00 7.72 2.15 -1.26 -4.87 116.67 126.93 2jfb s ASP 14 Ca 0.00 0.42 0.24 0.00 0.43 0.00 0.00 52.55 53.64 2jfb s ASP 14 Cb 0.00 -2.55 0.45 0.00 -0.30 0.00 0.00 42.92 40.52 2jfb s ASP 14 CO 0.00 -1.36 1.41 0.61 -0.17 0.00 0.00 175.17 175.66 2jfb n GLY 15 N 4.96 1.08 0.31 2.66 0.00 -0.82 -4.51 105.19 108.87 2jfb n GLY 15 Ca 0.12 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 4.03 0.48 0.26 1.61 4.64 -1.72 -1.27 113.55 121.58 2jfb h SER 16 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2jfb h SER 16 Cb 0.87 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2jfb h SER 16 CO 0.00 0.35 -0.05 0.29 -0.87 0.00 0.00 176.83 176.54 2jfb n LYS 17 N -4.47 0.84 -3.30 4.77 4.01 -1.26 -4.71 118.16 114.03 2jfb n LYS 17 Ca 0.04 -0.23 -0.34 0.00 -0.51 0.00 0.00 58.31 57.27 2jfb n LYS 17 Cb 0.07 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.04 2jfb n LYS 17 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2jfb s LEU 18 N -2.32 4.23 -0.23 -0.35 1.43 -0.48 -5.05 118.68 115.91 2jfb s LEU 18 Ca 0.35 1.10 0.02 0.00 -1.03 0.00 0.00 54.13 54.57 2jfb s LEU 18 Cb 0.21 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.87 2jfb s LEU 18 CO 0.43 -0.02 -0.14 -0.60 0.23 0.00 0.00 176.35 176.25 2jfb s ARG 19 N -2.45 2.49 -0.15 1.70 3.52 -1.26 -4.69 118.95 118.11 2jfb s ARG 19 Ca 0.45 -1.14 -0.03 0.00 -0.13 0.00 0.00 55.73 54.88 2jfb s ARG 19 Cb -0.13 -2.75 -0.03 0.00 -1.56 0.00 0.00 34.95 30.48 2jfb s ARG 19 CO 0.20 -0.44 -0.05 0.42 -0.81 0.00 0.00 175.30 174.62 2jfb s ILE 20 N 1.18 3.77 -0.14 4.11 -1.09 -0.12 -0.66 121.20 128.25 2jfb s ILE 20 Ca -0.04 -0.41 -0.09 0.00 -2.23 0.00 0.00 60.65 57.89 2jfb s ILE 20 Cb -0.17 -2.64 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 2jfb s ILE 20 CO -0.08 0.50 0.16 -0.83 -1.23 0.00 0.00 174.94 173.47 2jfb s GLY 21 N 0.30 2.15 -0.17 6.18 0.00 -0.49 -1.23 107.32 114.06 2jfb s GLY 21 Ca -0.04 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.07 2jfb s GLY 21 CO 0.03 -0.14 -0.20 -0.42 0.00 0.00 0.00 173.10 172.37 2jfb s ILE 22 N -0.53 2.13 -0.19 0.90 1.01 0.92 -0.12 121.20 125.32 2jfb s ILE 22 Ca 0.14 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.87 2jfb s ILE 22 Cb -0.12 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.48 2jfb s ILE 22 CO 0.03 0.54 -0.17 -0.22 0.00 0.00 0.00 174.94 175.11 2jfb s LEU 23 N 1.18 2.35 0.06 2.97 2.96 -0.74 -0.63 118.68 126.83 2jfb s LEU 23 Ca 0.02 -0.69 0.07 0.00 -0.22 0.00 0.00 54.13 53.31 2jfb s LEU 23 Cb -0.14 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2jfb s LEU 23 CO -0.10 -0.02 -0.19 -1.38 -1.32 0.00 0.00 176.35 173.34 2jfb s HIS 24 N 1.30 1.65 0.92 5.38 -3.43 -0.77 0.11 115.29 120.45 2jfb s HIS 24 Ca 0.04 -0.39 -0.12 0.00 -0.80 0.00 0.00 55.06 53.79 2jfb s HIS 24 Cb -0.14 -0.96 0.14 0.00 -1.43 0.00 0.00 32.58 30.20 2jfb s HIS 24 CO -0.11 0.11 1.12 0.00 -2.00 0.00 0.00 174.74 173.86 2jfb s ALA 25 N -0.95 1.58 -0.57 -1.38 0.00 -0.58 -1.63 121.76 118.24 2jfb s ALA 25 Ca 0.05 -0.41 0.12 0.00 0.00 0.00 0.00 51.96 51.73 2jfb s ALA 25 Cb -0.09 -3.08 -0.14 0.00 0.00 0.00 0.00 23.12 19.82 2jfb s ALA 25 CO 0.02 -2.38 0.52 0.54 0.00 0.00 0.00 175.76 174.47 2jfb n ARG 26 N -3.85 2.76 -2.59 0.00 1.74 -0.78 -4.83 116.66 109.11 2jfb n ARG 26 Ca 0.06 -0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.75 2jfb n ARG 26 Cb 0.58 -1.10 -0.05 0.00 -1.02 0.00 0.00 32.46 30.87 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 -2.21 3.62 -1.05 -1.55 0.52 -1.24 -3.87 118.94 113.15 2jfb s TRP 27 Ca 0.04 1.75 -0.05 0.00 0.02 0.00 0.00 56.10 57.86 2jfb s TRP 27 Cb 0.09 -3.14 -0.06 0.00 -1.15 0.00 0.00 33.47 29.22 2jfb s TRP 27 CO 0.52 -0.25 0.91 0.09 0.02 0.00 0.00 176.95 178.23 2jfb n ASN 28 N 0.91 -5.89 -0.12 2.95 3.02 -1.26 -4.62 115.26 110.25 2jfb n ASN 28 Ca 0.00 -0.68 -0.09 0.00 -0.03 0.00 0.00 54.58 53.79 2jfb n ASN 28 Cb 0.47 -5.09 -0.01 0.00 -0.61 0.00 0.00 39.78 34.54 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 -1.17 0.51 0.00 3.52 9.65 -1.93 -1.77 114.38 123.18 2jfb h ARG 29 Ca -0.59 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.24 2jfb h ARG 29 Cb 1.31 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 2jfb h ARG 29 CO 0.44 0.40 0.00 1.57 2.80 0.00 0.00 179.97 185.18 2jfb h LYS 30 N 0.48 0.00 0.08 0.20 2.10 -1.93 0.12 116.57 117.61 2jfb h LYS 30 Ca 0.13 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.64 2jfb h LYS 30 Cb 0.03 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.38 2jfb h LYS 30 CO -0.02 0.00 -0.61 0.82 -2.00 0.00 0.00 179.45 177.64 2jfb h ILE 31 N 0.00 1.53 -0.13 0.07 2.04 -1.89 -3.07 117.51 116.06 2jfb h ILE 31 Ca 0.00 -2.35 0.05 0.00 1.00 0.00 0.00 64.86 63.56 2jfb h ILE 31 Cb 0.59 3.05 -0.06 0.00 -0.74 0.00 0.00 36.82 39.66 2jfb h ILE 31 CO 0.00 0.66 -0.24 0.40 0.00 0.00 0.00 178.15 178.98 2jfb h ILE 32 N -0.40 0.43 -0.70 -0.67 1.08 -0.88 -1.81 117.51 114.56 2jfb h ILE 32 Ca -0.10 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2jfb h ILE 32 Cb 1.43 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 35.57 2jfb h ILE 32 CO 0.12 0.00 0.43 0.44 -0.69 0.00 0.00 178.15 178.44 2jfb h ASP 33 N -0.30 0.82 -0.37 1.72 3.32 -0.91 -0.54 116.42 120.17 2jfb h ASP 33 Ca 0.10 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 2jfb h ASP 33 Cb 0.45 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2jfb h ASP 33 CO -0.30 0.63 -0.05 0.00 -1.72 0.00 0.00 179.24 177.79 2jfb h ALA 34 N 1.52 1.05 -0.25 3.45 0.00 -1.38 -1.37 119.26 122.27 2jfb h ALA 34 Ca 0.25 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 2jfb h ALA 34 Cb -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2jfb h ALA 34 CO -0.05 0.58 -0.56 -0.07 0.00 0.00 0.00 179.25 179.16 2jfb h LEU 35 N 0.72 0.93 -0.24 0.00 3.38 -0.49 -2.90 115.31 116.71 2jfb h LEU 35 Ca 0.13 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2jfb h LEU 35 Cb 0.52 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2jfb h LEU 35 CO 0.03 1.31 0.10 0.58 0.09 0.00 0.00 178.44 180.55 2jfb h VAL 36 N 0.59 1.16 -0.96 1.22 2.07 -1.03 -2.20 116.25 117.10 2jfb h VAL 36 Ca 0.00 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.08 2jfb h VAL 36 Cb 1.17 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 2jfb h VAL 36 CO 0.12 0.16 0.62 0.00 0.02 0.00 0.00 177.57 178.50 2jfb h ALA 37 N 0.95 1.31 -0.62 1.67 0.00 -1.29 0.71 119.26 121.99 2jfb h ALA 37 Ca 0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2jfb h ALA 37 Cb 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2jfb h ALA 37 CO -0.01 0.44 0.03 0.78 0.00 0.00 0.00 179.25 180.49 2jfb h GLY 38 N 1.15 1.17 0.91 0.00 0.00 -1.38 -0.23 103.07 104.68 2jfb h GLY 38 Ca 0.41 -0.83 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 2jfb h GLY 38 CO -0.16 0.77 0.05 0.00 0.00 0.00 0.00 176.54 177.20 2jfb h ALA 39 N 1.01 0.45 -0.36 3.60 0.00 -0.72 -1.27 119.26 121.96 2jfb h ALA 39 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jfb h ALA 39 Cb 0.52 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2jfb h ALA 39 CO 0.03 0.15 0.24 0.28 0.00 0.00 0.00 179.25 179.95 2jfb h VAL 40 N 0.39 1.09 -0.08 0.00 2.07 -0.79 -0.29 116.25 118.64 2jfb h VAL 40 Ca 0.10 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.46 2jfb h VAL 40 Cb 0.36 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2jfb h VAL 40 CO 0.01 0.09 0.02 0.50 0.02 0.00 0.00 177.57 178.20 2jfb h LYS 41 N 0.49 0.05 -0.50 1.57 3.64 -0.95 -2.54 116.57 118.34 2jfb h LYS 41 Ca 0.13 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 2jfb h LYS 41 Cb -0.06 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2jfb h LYS 41 CO -0.03 0.03 -0.19 -0.09 -2.27 0.00 0.00 179.45 176.90 2jfb h ARG 42 N 0.05 1.02 -0.59 1.90 9.65 -1.12 -2.80 114.38 122.49 2jfb h ARG 42 Ca 0.04 -0.42 0.12 0.00 -1.10 0.00 0.00 59.98 58.61 2jfb h ARG 42 Cb 0.03 -0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 28.48 2jfb h ARG 42 CO -0.05 1.11 0.05 -0.07 2.80 0.00 0.00 179.97 183.81 2jfb h LEU 43 N 0.88 -0.15 -1.20 3.80 4.07 -0.95 -2.30 115.31 119.46 2jfb h LEU 43 Ca 0.12 0.13 -0.06 0.00 0.08 0.00 0.00 57.88 58.15 2jfb h LEU 43 Cb 0.77 0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.72 2jfb h LEU 43 CO 0.06 -0.06 -0.28 1.56 -1.08 0.00 0.00 178.44 178.64 2jfb h GLN 44 N 0.17 0.00 0.00 1.13 4.20 -1.24 -2.38 115.11 116.99 2jfb h GLN 44 Ca 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 2jfb h GLN 44 Cb 0.48 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 2jfb h GLN 44 CO -0.45 0.28 -0.05 0.93 -0.67 0.00 0.00 178.83 178.87 2jfb h GLU 45 N 0.00 0.00 -0.00 1.46 5.08 -1.16 -2.34 114.58 117.62 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 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2jfb h GLU 45 CO 0.04 0.05 -0.27 1.19 -1.00 0.00 0.00 179.01 179.01 2jfb n PHE 46 N -3.15 0.00 0.00 4.33 3.01 -0.93 -4.94 117.46 115.79 2jfb n PHE 46 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2jfb n PHE 46 Cb 0.37 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 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 1.38 0.98 3.71 1.37 0.00 -0.88 -1.95 105.19 109.81 2jfb n GLY 47 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 4.04 0.32 1.61 1.01 -1.01 -3.23 120.40 121.14 2jfb s VAL 48 Ca 0.00 1.47 -0.23 0.00 0.00 0.00 0.00 61.98 63.22 2jfb s VAL 48 Cb 0.00 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 2jfb s VAL 48 CO 0.00 0.12 0.89 -0.54 0.00 0.00 0.00 175.10 175.57 2jfb s LYS 49 N 1.00 4.41 0.37 2.72 1.02 -1.26 -4.04 119.74 123.96 2jfb s LYS 49 Ca 0.58 1.15 0.07 0.00 0.02 0.00 0.00 55.97 57.79 2jfb s LYS 49 Cb -0.29 -2.66 0.79 0.00 -0.52 0.00 0.00 37.83 35.14 2jfb s LYS 49 CO 0.29 0.23 1.97 1.05 -0.92 0.00 0.00 175.35 177.97 2jfb h GLU 50 N 2.90 0.68 0.00 1.68 9.09 -1.95 0.62 114.58 127.60 2jfb h GLU 50 Ca -0.47 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.89 2jfb h GLU 50 Cb 1.19 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 2jfb h GLU 50 CO 0.64 0.45 0.00 1.05 0.05 0.00 0.00 179.01 181.20 2jfb h GLU 51 N 0.70 0.00 -0.59 1.06 9.09 -2.01 -2.83 114.58 120.00 2jfb h GLU 51 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.71 2jfb h GLU 51 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 2jfb h GLU 51 CO -0.10 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.05 2jfb n ASN 52 N -2.59 3.74 -4.23 3.06 3.02 0.19 -4.75 115.26 113.70 2jfb n ASN 52 Ca 0.02 -2.00 -0.40 0.00 -0.03 0.00 0.00 54.58 52.17 2jfb n ASN 52 Cb 0.28 -0.39 -0.10 0.00 -0.61 0.00 0.00 39.78 38.96 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 -1.22 4.04 -0.35 2.41 1.01 -1.07 -0.94 121.20 125.07 2jfb s ILE 53 Ca 0.45 -1.61 -0.15 0.00 0.00 0.00 0.00 60.65 59.33 2jfb s ILE 53 Cb 0.24 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 2jfb s ILE 53 CO 0.33 -0.60 0.37 -0.63 0.00 0.00 0.00 174.94 174.40 2jfb s ILE 54 N 1.36 5.16 -0.24 2.92 -1.09 -0.36 -4.97 121.20 123.98 2jfb s ILE 54 Ca 0.04 0.01 -0.10 0.00 -2.23 0.00 0.00 60.65 58.37 2jfb s ILE 54 Cb -0.24 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.75 2jfb s ILE 54 CO 0.00 -0.12 0.14 -0.63 -1.23 0.00 0.00 174.94 173.10 2jfb s ILE 55 N 2.03 5.18 0.11 2.92 -1.09 -1.26 -0.05 121.20 129.03 2jfb s ILE 55 Ca 0.12 0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.68 2jfb s ILE 55 Cb -0.17 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 2jfb s ILE 55 CO 0.12 0.35 -0.08 -0.70 -1.23 0.00 0.00 174.94 173.40 2jfb s GLU 56 N 1.08 0.89 0.21 2.79 2.56 0.20 -4.98 118.70 121.44 2jfb s GLU 56 Ca 0.07 -1.35 0.11 0.00 0.00 0.00 0.00 54.97 53.79 2jfb s GLU 56 Cb -0.14 -0.33 -0.04 0.00 2.00 0.00 0.00 34.13 35.62 2jfb s GLU 56 CO 0.04 0.01 -0.21 0.95 -0.56 0.00 0.00 175.26 175.49 2jfb s THR 57 N -3.48 2.22 0.11 -1.70 -4.23 -1.26 -1.85 115.64 105.45 2jfb s THR 57 Ca 0.13 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 2jfb s THR 57 Cb 0.04 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 2jfb s THR 57 CO -0.03 -0.25 -0.04 0.68 -0.54 0.00 0.00 174.62 174.44 2jfb s VAL 58 N -2.02 0.59 0.07 2.29 -7.23 -0.64 -4.90 120.40 108.56 2jfb s VAL 58 Ca 0.22 -1.93 -0.32 0.00 -1.81 0.00 0.00 61.98 58.13 2jfb s VAL 58 Cb -0.06 -1.80 -0.19 0.00 0.56 0.00 0.00 36.38 34.89 2jfb s VAL 58 CO 0.10 -0.76 1.61 -0.65 -0.31 0.00 0.00 175.10 175.09 2jfb h PRO 59 N 2.91 -0.82 -4.93 4.82 0.11 -1.94 -2.75 132.00 129.40 2jfb h PRO 59 Ca -0.35 0.06 -0.49 0.00 0.11 0.00 0.00 66.00 65.32 2jfb h PRO 59 Cb 1.17 0.19 -0.13 0.00 0.11 0.00 0.00 31.00 32.34 2jfb h PRO 59 CO 0.64 -0.54 -0.51 0.20 -0.21 0.00 0.00 178.00 177.58 2jfb s GLY 60 N -2.09 2.39 0.40 -0.55 0.00 -1.26 -1.87 107.32 104.33 2jfb s GLY 60 Ca -0.17 -1.75 0.19 0.00 0.00 0.00 0.00 44.72 42.99 2jfb s GLY 60 CO 0.62 -1.59 1.81 1.76 0.00 0.00 0.00 173.10 175.69 2jfb h SER 61 N 2.04 0.00 0.26 1.64 0.02 -1.93 -2.15 113.55 113.42 2jfb h SER 61 Ca -0.29 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.59 2jfb h SER 61 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2jfb h SER 61 CO 0.44 0.33 -0.28 0.15 -1.14 0.00 0.00 176.83 176.33 2jfb h PHE 62 N 0.00 0.05 0.00 3.45 3.57 -1.97 -2.51 116.94 119.54 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 0.75 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.48 2jfb h PHE 62 CO 0.00 0.33 0.00 0.39 -2.23 0.00 0.00 178.31 176.80 2jfb n GLU 63 N -4.19 0.03 0.22 1.11 4.71 -0.82 -4.27 120.64 117.44 2jfb n GLU 63 Ca -0.02 0.03 -0.15 0.00 -0.01 0.00 0.00 57.16 57.01 2jfb n GLU 63 Cb 0.34 -1.54 -0.07 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 0.00 -0.84 -0.22 -4.62 3.38 -1.39 -0.16 115.31 111.46 2jfb h LEU 64 Ca 0.00 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2jfb h LEU 64 Cb 0.52 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2jfb h LEU 64 CO 0.00 -0.46 0.07 1.55 0.09 0.00 0.00 178.44 179.70 2jfb h PRO 65 N -0.69 0.33 0.00 1.13 0.13 -1.77 0.22 132.00 131.36 2jfb h PRO 65 Ca -0.03 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 64.91 2jfb h PRO 65 Cb 0.61 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 2jfb h PRO 65 CO -0.04 0.41 -0.62 -0.92 -0.23 0.00 0.00 178.00 176.61 2jfb h TYR 66 N 0.18 0.00 -0.47 1.56 3.20 -1.83 -2.44 116.97 117.17 2jfb h TYR 66 Ca 0.07 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 2jfb h TYR 66 Cb 0.22 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2jfb h TYR 66 CO -0.00 0.62 0.13 0.78 -1.64 0.00 0.00 178.16 178.05 2jfb h GLY 67 N 2.00 0.76 1.01 1.82 0.00 -0.73 -1.75 103.07 106.17 2jfb h GLY 67 Ca -0.01 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 2jfb h GLY 67 CO 0.08 0.38 -0.00 1.76 0.00 0.00 0.00 176.54 178.76 2jfb h SER 68 N 0.69 0.85 -0.04 0.19 0.02 -0.26 -0.52 113.55 114.49 2jfb h SER 68 Ca 0.16 -0.31 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2jfb h SER 68 Cb 0.23 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2jfb h SER 68 CO -0.01 0.95 -0.05 0.50 -1.14 0.00 0.00 176.83 177.08 2jfb h LYS 69 N 0.72 -0.07 -0.41 3.45 3.11 -1.05 0.89 116.57 123.20 2jfb h LYS 69 Ca 0.14 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.91 2jfb h LYS 69 Cb 0.51 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 2jfb h LYS 69 CO 0.03 -0.05 -0.02 -0.07 -2.81 0.00 0.00 179.45 176.53 2jfb h LEU 70 N -0.08 0.73 -0.23 5.20 3.38 -1.29 -1.39 115.31 121.63 2jfb h LEU 70 Ca 0.03 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.73 2jfb h LEU 70 Cb 0.12 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2jfb h LEU 70 CO -0.08 0.87 -0.03 0.15 0.09 0.00 0.00 178.44 179.44 2jfb h PHE 71 N 0.57 -0.08 -0.20 1.13 3.57 -0.92 0.28 116.94 121.29 2jfb h PHE 71 Ca 0.12 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.66 2jfb h PHE 71 Cb 0.51 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 2jfb h PHE 71 CO 0.04 -0.07 0.04 0.28 -2.23 0.00 0.00 178.31 176.37 2jfb h VAL 72 N 0.03 0.91 -0.27 1.41 2.07 -0.70 -2.11 116.25 117.59 2jfb h VAL 72 Ca 0.11 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 2jfb h VAL 72 Cb 0.16 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2jfb h VAL 72 CO -0.22 0.02 -0.11 -0.33 0.02 0.00 0.00 177.57 176.96 2jfb h GLU 73 N 0.13 0.44 -0.55 1.57 4.39 -0.83 -2.34 114.58 117.39 2jfb h GLU 73 Ca 0.09 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 2jfb h GLU 73 Cb 0.08 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2jfb h GLU 73 CO -0.12 0.56 0.05 -0.22 -1.16 0.00 0.00 179.01 178.13 2jfb h LYS 74 N 0.42 0.94 -0.35 2.33 3.64 -0.22 -2.56 116.57 120.76 2jfb h LYS 74 Ca 0.08 -0.27 -0.08 0.00 -1.27 0.00 0.00 60.65 59.11 2jfb h LYS 74 Cb 0.45 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2jfb h LYS 74 CO 0.03 0.92 -0.13 1.96 -2.27 0.00 0.00 179.45 179.96 2jfb h GLN 75 N 0.82 0.61 -0.21 1.90 1.08 -1.01 -0.09 115.11 118.21 2jfb h GLN 75 Ca 0.16 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2jfb h GLN 75 Cb 0.46 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2jfb h GLN 75 CO 0.02 0.72 0.09 0.87 -0.95 0.00 0.00 178.83 179.58 2jfb h LYS 76 N 0.55 0.31 -0.23 1.46 1.57 -1.36 -0.62 116.57 118.26 2jfb h LYS 76 Ca 0.10 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2jfb h LYS 76 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2jfb h LYS 76 CO 0.03 0.35 -0.05 0.00 -0.57 0.00 0.00 179.45 179.22 2jfb h ARG 77 N 0.20 0.35 0.00 3.15 3.08 -1.19 -1.46 114.38 118.51 2jfb h ARG 77 Ca 0.07 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jfb h ARG 77 Cb 0.15 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2jfb h ARG 77 CO -0.01 0.42 0.00 -0.11 -1.07 0.00 0.00 179.97 179.21 2jfb n LEU 78 N -4.30 0.12 0.00 3.04 7.94 -0.07 -4.90 117.00 118.83 2jfb n LEU 78 Ca 0.00 0.52 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 2jfb n LEU 78 Cb 0.24 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.70 2jfb n LEU 78 CO 0.38 -0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 2jfb n GLY 79 N 0.81 0.79 2.73 -3.96 0.00 -0.55 -4.98 105.19 100.03 2jfb n GLY 79 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.20 1.58 -2.06 1.61 5.02 -0.30 -5.00 118.16 116.81 2jfb n LYS 80 Ca 0.00 -4.23 -0.33 0.00 -2.02 0.00 0.00 58.31 51.72 2jfb n LYS 80 Cb 0.00 -2.14 0.01 0.00 -0.02 0.00 0.00 35.03 32.89 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 -1.31 3.24 -0.01 1.97 0.04 -1.22 -4.49 135.00 133.23 2jfb s PRO 81 Ca 0.28 1.35 -0.20 0.00 0.04 0.00 0.00 61.00 62.47 2jfb s PRO 81 Cb 0.00 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2jfb s PRO 81 CO -0.16 -0.90 0.59 -0.51 0.04 0.00 0.00 177.00 176.07 2jfb s LEU 82 N -4.36 4.41 0.28 -3.56 1.43 -1.26 -4.72 118.68 110.90 2jfb s LEU 82 Ca 0.67 1.15 0.20 0.00 -1.03 0.00 0.00 54.13 55.11 2jfb s LEU 82 Cb -0.19 -2.91 0.11 0.00 0.03 0.00 0.00 46.19 43.23 2jfb s LEU 82 CO 0.34 0.10 1.30 0.44 0.23 0.00 0.00 176.35 178.77 2jfb h ASP 83 N 5.65 0.00 -4.91 2.29 3.32 -1.29 -3.48 116.42 118.00 2jfb h ASP 83 Ca -0.45 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 2jfb h ASP 83 Cb 1.20 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.61 2jfb h ASP 83 CO 0.70 0.21 0.27 0.00 -1.72 0.00 0.00 179.24 178.70 2jfb s ALA 84 N -3.14 -1.67 -0.01 3.45 0.00 -1.23 -4.20 121.76 114.95 2jfb s ALA 84 Ca 0.03 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.74 2jfb s ALA 84 Cb 0.07 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.83 2jfb s ALA 84 CO 0.74 -0.68 -0.05 -1.50 0.00 0.00 0.00 175.76 174.27 2jfb s ILE 85 N -3.18 0.48 -0.48 0.00 2.07 -0.53 -1.39 121.20 118.17 2jfb s ILE 85 Ca -0.00 -0.21 0.01 0.00 -1.41 0.00 0.00 60.65 59.04 2jfb s ILE 85 Cb -0.01 -0.44 0.13 0.00 0.13 0.00 0.00 42.46 42.27 2jfb s ILE 85 CO -0.08 0.16 0.24 -0.63 -1.91 0.00 0.00 174.94 172.72 2jfb s ILE 86 N 0.16 2.91 -0.14 2.00 1.01 0.82 -1.41 121.20 126.57 2jfb s ILE 86 Ca -0.02 -2.78 -0.29 0.00 0.00 0.00 0.00 60.65 57.55 2jfb s ILE 86 Cb -0.06 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 2jfb s ILE 86 CO -0.00 -0.75 1.31 -2.16 0.00 0.00 0.00 174.94 173.34 2jfb s PRO 87 N 0.29 4.24 -0.08 2.79 0.04 -1.24 -1.78 135.00 139.26 2jfb s PRO 87 Ca 0.14 1.74 0.01 0.00 0.04 0.00 0.00 61.00 62.93 2jfb s PRO 87 Cb -0.22 -3.77 -0.03 0.00 0.04 0.00 0.00 34.50 30.52 2jfb s PRO 87 CO -0.03 -0.70 -0.10 0.42 0.04 0.00 0.00 177.00 176.63 2jfb s ILE 88 N 3.41 3.42 0.04 0.56 1.01 0.30 -2.10 121.20 127.84 2jfb s ILE 88 Ca 0.58 -0.57 -0.23 0.00 0.00 0.00 0.00 60.65 60.42 2jfb s ILE 88 Cb -0.24 -2.40 0.05 0.00 0.01 0.00 0.00 42.46 39.89 2jfb s ILE 88 CO 0.18 0.58 0.54 -0.83 0.00 0.00 0.00 174.94 175.41 2jfb s GLY 89 N -0.53 -0.45 -0.19 6.18 0.00 -0.17 -1.53 107.32 110.63 2jfb s GLY 89 Ca 0.08 0.69 -0.00 0.00 0.00 0.00 0.00 44.72 45.49 2jfb s GLY 89 CO 0.02 0.38 -0.06 0.14 0.00 0.00 0.00 173.10 173.59 2jfb s VAL 90 N -2.31 1.25 -0.20 1.40 1.01 -1.26 -0.81 120.40 119.48 2jfb s VAL 90 Ca -0.06 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 2jfb s VAL 90 Cb -0.01 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 2jfb s VAL 90 CO -0.00 0.07 -0.06 -0.76 0.00 0.00 0.00 175.10 174.34 2jfb s LEU 91 N 1.56 2.87 -0.14 3.92 1.43 -0.07 -4.81 118.68 123.43 2jfb s LEU 91 Ca -0.01 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2jfb s LEU 91 Cb -0.16 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 2jfb s LEU 91 CO -0.08 0.02 -0.12 -0.63 0.23 0.00 0.00 176.35 175.78 2jfb s ILE 92 N 1.22 3.08 0.07 -0.59 -1.09 -1.26 -0.97 121.20 121.66 2jfb s ILE 92 Ca 0.03 -0.64 -0.33 0.00 -2.23 0.00 0.00 60.65 57.47 2jfb s ILE 92 Cb -0.14 -2.31 -0.12 0.00 -1.58 0.00 0.00 42.46 38.30 2jfb s ILE 92 CO -0.02 0.51 1.74 1.17 -1.23 0.00 0.00 174.94 177.12 2jfb n LYS 93 N 3.70 2.33 0.00 2.79 3.00 -0.26 -4.88 118.16 124.84 2jfb n LYS 93 Ca -0.18 0.85 0.00 0.00 -0.00 0.00 0.00 58.31 58.97 2jfb n LYS 93 Cb 0.52 -2.67 0.00 0.00 0.00 0.00 0.00 35.03 32.88 2jfb n LYS 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jfb n GLY 94 N 3.94 2.85 0.09 3.14 0.00 -1.26 -4.83 105.19 109.13 2jfb n GLY 94 Ca 0.19 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 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 0.82 -1.99 1.61 7.64 -1.26 -4.97 113.62 115.46 2jfb n SER 95 Ca 0.00 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.18 2jfb n SER 95 Cb 0.00 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -3.02 0.00 0.60 0.44 -2.24 -1.26 -5.00 114.28 103.80 2jfb n THR 96 Ca -0.22 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.66 2jfb n THR 96 Cb 1.07 -1.39 0.27 0.00 -2.10 0.00 0.00 70.33 68.19 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 -0.99 2.18 -0.28 -0.78 0.00 -1.26 -4.45 117.12 111.54 2jfb n MET 97 Ca 0.00 -1.79 0.06 0.00 0.00 0.00 0.00 57.70 55.97 2jfb n MET 97 Cb 0.00 -1.45 0.21 0.00 0.00 0.00 0.00 33.22 31.99 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 3.34 0.70 -0.23 2.03 -0.00 -1.98 -1.90 115.15 117.11 2jfb h HIS 98 Ca 0.00 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.46 2jfb h HIS 98 Cb 0.74 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 27.91 2jfb h HIS 98 CO 0.24 0.15 -0.13 0.35 -0.00 0.00 0.00 177.93 178.54 2jfb h PHE 99 N 0.58 -0.33 -0.28 5.26 3.57 -1.90 -2.47 116.94 121.37 2jfb h PHE 99 Ca 0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.97 2jfb h PHE 99 Cb 0.63 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 2jfb h PHE 99 CO -0.11 -0.20 0.18 0.93 -2.23 0.00 0.00 178.31 176.88 2jfb h GLU 100 N -0.11 0.37 0.00 1.11 3.07 -1.67 -2.31 114.58 115.04 2jfb h GLU 100 Ca 0.13 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.82 2jfb h GLU 100 Cb 0.31 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 2jfb h GLU 100 CO -0.30 0.26 -0.68 1.88 -1.40 0.00 0.00 179.01 178.76 2jfb h TYR 101 N 0.38 0.00 -0.07 4.33 0.05 -1.48 -2.14 116.97 118.03 2jfb h TYR 101 Ca 0.10 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.81 2jfb h TYR 101 Cb -0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.71 2jfb h TYR 101 CO -0.05 0.68 -0.22 0.82 -1.05 0.00 0.00 178.16 178.33 2jfb h ILE 102 N 0.00 1.42 -0.99 -2.88 1.08 -1.45 -2.97 117.51 111.72 2jfb h ILE 102 Ca -0.01 -1.59 0.06 0.00 -0.39 0.00 0.00 64.86 62.94 2jfb h ILE 102 Cb 1.51 2.26 -0.07 0.00 -3.07 0.00 0.00 36.82 37.46 2jfb h ILE 102 CO 0.09 0.45 0.64 0.00 -0.69 0.00 0.00 178.15 178.64 2jfb h ASP 104 N 1.17 -0.50 0.50 0.00 3.58 -1.42 -1.74 116.42 118.01 2jfb h ASP 104 Ca 0.43 -0.10 -0.13 0.00 0.42 0.00 0.00 57.03 57.65 2jfb h ASP 104 Cb 0.15 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 2jfb h ASP 104 CO -0.17 -0.13 -0.58 0.77 -2.88 0.00 0.00 179.24 176.26 2jfb h SER 105 N -0.92 0.09 -0.10 2.28 4.64 -1.55 -2.47 113.55 115.52 2jfb h SER 105 Ca -0.06 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.16 2jfb h SER 105 Cb 0.57 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2jfb h SER 105 CO 0.10 0.65 -0.15 0.74 -0.87 0.00 0.00 176.83 177.29 2jfb h THR 106 N 0.06 1.38 -0.60 2.95 2.02 -1.38 -1.63 112.91 115.71 2jfb h THR 106 Ca -0.00 -1.39 0.01 0.00 0.77 0.00 0.00 66.41 65.80 2jfb h THR 106 Cb 1.04 2.05 -0.03 0.00 -1.74 0.00 0.00 68.15 69.47 2jfb h THR 106 CO 0.08 0.40 0.39 0.74 0.37 0.00 0.00 175.52 177.50 2jfb h THR 107 N -0.15 1.13 -0.47 3.16 2.02 -1.31 -1.09 112.91 116.20 2jfb h THR 107 Ca 0.01 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 2jfb h THR 107 Cb 0.71 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2jfb h THR 107 CO 0.04 0.14 0.07 0.45 0.37 0.00 0.00 175.52 176.59 2jfb h HIS 108 N 0.79 0.83 -0.23 3.16 3.86 -1.47 -2.51 115.15 119.59 2jfb h HIS 108 Ca 0.23 -0.12 -0.17 0.00 -1.16 0.00 0.00 60.37 59.15 2jfb h HIS 108 Cb -0.06 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.18 2jfb h HIS 108 CO -0.04 0.78 -0.52 1.96 0.86 0.00 0.00 177.93 180.97 2jfb h GLN 109 N 0.65 0.76 -0.61 2.45 1.08 -1.16 -1.70 115.11 116.58 2jfb h GLN 109 Ca 0.14 -0.51 0.01 0.00 -1.45 0.00 0.00 58.65 56.85 2jfb h GLN 109 Cb 0.39 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 2jfb h GLN 109 CO 0.01 1.13 0.40 -0.07 -0.95 0.00 0.00 178.83 179.35 2jfb h LEU 110 N 0.49 0.68 0.11 1.46 3.38 -1.24 0.15 115.31 120.34 2jfb h LEU 110 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2jfb h LEU 110 Cb 1.13 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2jfb h LEU 110 CO 0.11 0.49 -0.05 -0.03 0.09 0.00 0.00 178.44 179.05 2jfb h MET 111 N 0.80 -0.14 0.00 1.13 4.05 -1.33 -3.09 114.93 116.35 2jfb h MET 111 Ca 0.23 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.63 2jfb h MET 111 Cb -0.07 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.76 2jfb h MET 111 CO -0.05 0.13 -0.12 0.87 0.23 0.00 0.00 176.91 177.96 2jfb h LYS 112 N -0.40 0.00 0.00 0.39 1.57 -0.86 -2.80 116.57 114.47 2jfb h LYS 112 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2jfb h LYS 112 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2jfb h LYS 112 CO 0.02 0.12 -0.10 1.25 -0.57 0.00 0.00 179.45 180.18 2jfb h LEU 113 N 0.00 0.00 -0.48 2.94 5.85 -0.62 -2.16 115.31 120.83 2jfb h LEU 113 Ca -0.00 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 2jfb h LEU 113 Cb 0.24 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 2jfb h LEU 113 CO 0.02 0.10 -0.10 0.78 -0.34 0.00 0.00 178.44 178.89 2jfb h ASN 114 N 0.00 -0.41 0.66 1.25 2.35 -1.54 0.16 115.58 118.06 2jfb h ASN 114 Ca -0.00 0.14 -0.23 0.00 -0.55 0.00 0.00 56.30 55.66 2jfb h ASN 114 Cb 0.19 0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 2jfb h ASN 114 CO 0.01 -0.15 -1.05 -0.26 -1.65 0.00 0.00 177.43 174.34 2jfb h PHE 115 N 0.02 0.34 -0.25 1.19 -1.00 -1.60 -1.95 116.94 113.69 2jfb h PHE 115 Ca 0.24 -0.22 -0.13 0.00 2.81 0.00 0.00 57.97 60.66 2jfb h PHE 115 Cb 0.36 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.89 2jfb h PHE 115 CO -0.40 1.12 -0.36 0.93 -1.61 0.00 0.00 178.31 177.99 2jfb h GLU 116 N 0.08 0.69 0.03 1.51 5.08 -1.13 -3.31 114.58 117.53 2jfb h GLU 116 Ca -0.08 -0.41 -0.27 0.00 -1.00 0.00 0.00 59.36 57.61 2jfb h GLU 116 Cb 1.75 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.00 2jfb h GLU 116 CO 0.16 1.02 -1.44 -0.07 -1.00 0.00 0.00 179.01 177.69 2jfb h LEU 117 N 0.41 0.09 0.00 1.33 3.38 -1.07 -3.48 115.31 115.96 2jfb h LEU 117 Ca 0.03 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2jfb h LEU 117 Cb 0.95 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2jfb h LEU 117 CO 0.08 1.11 0.00 0.61 0.09 0.00 0.00 178.44 180.34 2jfb n GLY 118 N 1.52 0.42 3.08 0.83 0.00 -0.73 -5.06 105.19 105.25 2jfb n GLY 118 Ca -0.11 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 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 0.61 0.01 -0.61 -4.36 -1.22 -5.06 121.20 108.57 2jfb s ILE 119 Ca 0.00 -1.19 -0.33 0.00 -0.26 0.00 0.00 60.65 58.87 2jfb s ILE 119 Cb 0.00 -0.76 -0.12 0.00 1.25 0.00 0.00 42.46 42.84 2jfb s ILE 119 CO 0.00 -0.42 1.83 -2.65 0.24 0.00 0.00 174.94 173.94 2jfb n PRO 120 N 1.29 2.36 -3.72 0.37 -0.02 -1.26 -4.48 135.00 129.54 2jfb n PRO 120 Ca -0.22 0.86 -0.38 0.00 -2.02 0.00 0.00 63.50 61.74 2jfb n PRO 120 Cb 0.55 -2.71 -0.12 0.00 -0.02 0.00 0.00 33.50 31.20 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 3.34 3.80 -0.16 -1.45 1.01 -1.26 -1.45 120.40 124.24 2jfb s VAL 121 Ca 0.88 -1.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 2jfb s VAL 121 Cb -0.62 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2jfb s VAL 121 CO 0.46 -0.35 0.75 -0.63 0.00 0.00 0.00 175.10 175.32 2jfb s ILE 122 N 1.36 4.96 -0.61 2.22 -1.09 -0.50 -4.88 121.20 122.66 2jfb s ILE 122 Ca 0.01 1.46 -0.27 0.00 -2.23 0.00 0.00 60.65 59.63 2jfb s ILE 122 Cb -0.21 -4.06 -0.02 0.00 -1.58 0.00 0.00 42.46 36.59 2jfb s ILE 122 CO 0.01 0.10 1.82 0.12 -1.23 0.00 0.00 174.94 175.76 2jfb s PHE 123 N 1.79 1.71 -0.45 3.97 5.36 -1.26 -3.66 117.98 125.43 2jfb s PHE 123 Ca 0.35 0.73 0.03 0.00 -0.96 0.00 0.00 56.93 57.09 2jfb s PHE 123 Cb -0.17 -4.13 0.47 0.00 -0.34 0.00 0.00 43.02 38.86 2jfb s PHE 123 CO 0.13 -2.31 1.60 0.41 -1.46 0.00 0.00 175.22 173.59 2jfb n GLY 124 N 5.67 5.95 3.30 13.12 0.00 -0.89 -4.97 105.19 127.36 2jfb n GLY 124 Ca 0.19 -2.30 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 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 -4.49 3.35 0.01 1.61 1.01 -1.26 -1.00 120.40 119.63 2jfb s VAL 125 Ca 0.56 -0.57 -0.28 0.00 0.00 0.00 0.00 61.98 61.69 2jfb s VAL 125 Cb 0.45 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2jfb s VAL 125 CO 0.02 0.37 0.89 -0.76 0.00 0.00 0.00 175.10 175.62 2jfb s LEU 126 N 1.46 4.39 -0.71 3.92 1.43 0.01 -4.95 118.68 124.23 2jfb s LEU 126 Ca 0.05 1.55 0.05 0.00 -1.03 0.00 0.00 54.13 54.75 2jfb s LEU 126 Cb -0.15 -3.43 0.19 0.00 0.03 0.00 0.00 46.19 42.84 2jfb s LEU 126 CO -0.03 -0.16 0.58 0.35 0.23 0.00 0.00 176.35 177.32 2jfb n THR 127 N 3.55 1.94 -3.99 5.49 -2.24 -1.26 -0.89 114.28 116.87 2jfb n THR 127 Ca 0.03 -4.98 -0.21 0.00 -2.27 0.00 0.00 64.05 56.61 2jfb n THR 127 Cb 0.51 -2.18 -0.04 0.00 -2.10 0.00 0.00 70.33 66.52 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 -1.28 0.01 -4.27 0.00 4.77 -1.26 -1.10 117.00 113.86 2jfb n LEU 129 Ca -0.06 0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.77 2jfb n LEU 129 Cb 0.58 0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.80 2jfb n LEU 129 CO 0.43 0.23 -0.35 0.42 -1.33 0.00 0.00 177.39 176.80 2jfb s THR 130 N -3.03 0.93 0.14 -5.08 -4.23 -1.26 -4.22 115.64 98.88 2jfb s THR 130 Ca -0.09 -2.02 -0.17 0.00 -1.18 0.00 0.00 61.69 58.23 2jfb s THR 130 Cb 0.10 -2.12 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 2jfb s THR 130 CO 0.87 -0.50 1.76 0.44 -0.54 0.00 0.00 174.62 176.65 2jfb h ASP 131 N 2.64 0.43 -0.65 3.99 3.32 -1.95 -3.09 116.42 121.11 2jfb h ASP 131 Ca -0.37 -0.07 0.08 0.00 0.02 0.00 0.00 57.03 56.69 2jfb h ASP 131 Cb 1.21 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 2jfb h ASP 131 CO 0.64 0.37 0.43 1.05 -1.72 0.00 0.00 179.24 180.00 2jfb h GLU 132 N 0.45 0.56 -0.49 3.56 4.11 -1.98 -1.83 114.58 118.95 2jfb h GLU 132 Ca 0.12 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.50 2jfb h GLU 132 Cb 0.03 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2jfb h GLU 132 CO -0.02 0.37 0.21 1.96 0.07 0.00 0.00 179.01 181.60 2jfb h GLN 133 N 0.57 0.72 -0.35 1.06 4.20 -1.96 0.21 115.11 119.56 2jfb h GLN 133 Ca 0.29 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.74 2jfb h GLN 133 Cb 0.39 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2jfb h GLN 133 CO -0.09 0.63 -0.29 0.00 -0.67 0.00 0.00 178.83 178.41 2jfb h ALA 134 N 1.05 0.51 -0.75 3.87 0.00 -1.49 -2.16 119.26 120.29 2jfb h ALA 134 Ca 0.17 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.71 2jfb h ALA 134 Cb 0.17 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2jfb h ALA 134 CO -0.02 0.54 0.46 0.93 0.00 0.00 0.00 179.25 181.16 2jfb h GLU 135 N 0.61 0.85 -0.35 0.00 5.08 -1.15 -0.30 114.58 119.32 2jfb h GLU 135 Ca 0.06 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2jfb h GLU 135 Cb 0.87 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2jfb h GLU 135 CO 0.08 0.56 -0.26 0.00 -1.00 0.00 0.00 179.01 178.39 2jfb h ALA 136 N 1.34 0.89 -0.01 3.43 0.00 -0.90 -0.25 119.26 123.77 2jfb h ALA 136 Ca 0.32 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jfb h ALA 136 Cb 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jfb h ALA 136 CO -0.14 0.62 -0.10 0.54 0.00 0.00 0.00 179.25 180.18 2jfb n ARG 137 N -4.10 0.87 -0.00 0.00 1.74 -0.82 -2.46 116.66 111.89 2jfb n ARG 137 Ca -0.00 -0.34 0.11 0.00 -0.77 0.00 0.00 57.85 56.86 2jfb n ARG 137 Cb 0.45 -1.49 0.10 0.00 -1.02 0.00 0.00 32.46 30.49 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 -0.77 2.46 -1.93 7.54 0.00 -0.16 -1.22 120.51 126.42 2jfb n ALA 138 Ca 0.16 -0.68 -0.08 0.00 0.00 0.00 0.00 53.44 52.83 2jfb n ALA 138 Cb 0.28 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 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 1.29 0.27 0.12 0.00 0.00 -1.03 -4.47 105.19 101.37 2jfb n GLY 139 Ca 0.13 -0.57 0.10 0.00 0.00 0.00 0.00 46.02 45.68 2jfb n GLY 139 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jfb h LEU 140 N 0.00 0.00 -8.67 0.99 3.38 -1.27 -3.46 115.31 106.28 2jfb h LEU 140 Ca -0.19 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.13 2jfb h LEU 140 Cb 1.00 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.50 2jfb h LEU 140 CO 0.24 0.08 -0.70 0.27 0.09 0.00 0.00 178.44 178.42 2jfb s ILE 141 N -3.30 3.60 0.00 1.22 -4.36 -1.25 -5.02 121.20 112.09 2jfb s ILE 141 Ca -0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 60.65 59.94 2jfb s ILE 141 Cb 0.09 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 41.21 2jfb s ILE 141 CO 0.79 0.47 0.00 -0.62 0.24 0.00 0.00 174.94 175.82 2jfb n GLU 142 N 3.95 0.00 -2.42 0.37 1.02 -1.26 -3.37 120.64 118.93 2jfb n GLU 142 Ca -0.18 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.75 2jfb n GLU 142 Cb 0.52 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.95 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 0.00 5.06 3.31 0.62 0.00 -1.26 -5.05 105.19 107.87 2jfb n GLY 143 Ca 0.00 -2.37 -0.31 0.00 0.00 0.00 0.00 46.02 43.34 2jfb n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jfb s LYS 144 N -3.51 2.18 5.08 1.61 -2.85 -1.22 -5.05 119.74 115.98 2jfb s LYS 144 Ca 0.44 -0.92 0.00 0.00 -1.00 0.00 0.00 55.97 54.49 2jfb s LYS 144 Cb 0.41 -2.07 0.00 0.00 -2.06 0.00 0.00 37.83 34.11 2jfb s LYS 144 CO -0.08 0.54 0.00 -1.33 0.10 0.00 0.00 175.35 174.58 2jfb n MET 145 N 2.50 0.00 -3.83 1.78 2.81 -1.26 -4.86 117.12 114.25 2jfb n MET 145 Ca -0.16 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.66 2jfb n MET 145 Cb 0.51 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 33.05 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 0.13 -0.49 2.03 -3.43 -1.25 -5.01 115.29 107.27 2jfb s HIS 146 Ca 0.00 -0.75 -0.22 0.00 -0.80 0.00 0.00 55.06 53.30 2jfb s HIS 146 Cb 0.00 0.81 0.04 0.00 -1.43 0.00 0.00 32.58 32.00 2jfb s HIS 146 CO 0.00 -1.41 0.75 1.21 -2.00 0.00 0.00 174.74 173.29 2jfb s ASN 147 N -3.20 6.32 0.60 7.38 3.84 -1.26 -2.98 114.94 125.65 2jfb s ASN 147 Ca 0.18 -0.46 0.34 0.00 0.21 0.00 0.00 52.86 53.13 2jfb s ASN 147 Cb -0.04 -2.36 1.94 0.00 -0.55 0.00 0.00 41.25 40.24 2jfb s ASN 147 CO 0.10 -0.96 2.26 0.45 -2.79 0.00 0.00 177.10 176.16 2jfb h HIS 148 N 9.05 0.00 -0.81 0.43 3.86 -1.46 -2.27 115.15 123.95 2jfb h HIS 148 Ca -0.26 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.08 2jfb h HIS 148 Cb 1.09 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.50 2jfb h HIS 148 CO 0.80 0.02 0.53 0.78 0.86 0.00 0.00 177.93 180.92 2jfb h GLY 149 N 0.19 0.98 1.01 2.45 0.00 -1.80 -1.73 103.07 104.17 2jfb h GLY 149 Ca -0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 2jfb h GLY 149 CO 0.00 0.11 -0.01 0.83 0.00 0.00 0.00 176.54 177.47 2jfb h GLU 150 N 0.61 0.87 -0.75 4.80 5.08 -1.52 -1.38 114.58 122.29 2jfb h GLU 150 Ca 0.39 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2jfb h GLU 150 Cb 0.67 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2jfb h GLU 150 CO -0.15 0.92 0.35 -0.44 -1.00 0.00 0.00 179.01 178.68 2jfb h ASP 151 N 0.73 0.98 -0.44 1.42 3.32 -1.48 -1.60 116.42 119.35 2jfb h ASP 151 Ca 0.14 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 2jfb h ASP 151 Cb 0.53 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2jfb h ASP 151 CO 0.03 0.83 -0.08 -0.50 -1.72 0.00 0.00 179.24 177.80 2jfb h TRP 152 N 1.07 0.97 -0.23 4.55 6.55 -1.09 -0.76 115.95 127.02 2jfb h TRP 152 Ca 0.26 -0.18 -0.01 0.00 0.95 0.00 0.00 58.89 59.91 2jfb h TRP 152 Cb 0.12 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.16 2jfb h TRP 152 CO 0.01 0.92 0.11 0.78 -1.05 0.00 0.00 178.44 179.21 2jfb h GLY 153 N 0.97 0.35 1.01 1.49 0.00 -0.92 -1.65 103.07 104.32 2jfb h GLY 153 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2jfb h GLY 153 CO 0.04 0.16 0.55 0.00 0.00 0.00 0.00 176.54 177.29 2jfb h ALA 154 N 0.97 1.13 -0.62 3.60 0.00 -1.14 -2.72 119.26 120.48 2jfb h ALA 154 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jfb h ALA 154 Cb 0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2jfb h ALA 154 CO -0.01 0.58 0.28 0.00 0.00 0.00 0.00 179.25 180.09 2jfb h ALA 155 N 1.30 0.80 -0.53 0.00 0.00 -0.99 -1.83 119.26 118.01 2jfb h ALA 155 Ca 0.32 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.14 2jfb h ALA 155 Cb -0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 2jfb h ALA 155 CO -0.06 0.39 0.23 0.00 0.00 0.00 0.00 179.25 179.80 2jfb h ALA 156 N 1.11 0.67 -0.30 0.00 0.00 -1.00 0.76 119.26 120.50 2jfb h ALA 156 Ca 0.21 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2jfb h ALA 156 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2jfb h ALA 156 CO -0.02 -0.15 -0.13 0.28 0.00 0.00 0.00 179.25 179.23 2jfb h VAL 157 N 0.44 1.29 -0.16 0.00 2.07 -1.37 -2.78 116.25 115.74 2jfb h VAL 157 Ca 0.25 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 2jfb h VAL 157 Cb 0.22 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2jfb h VAL 157 CO -0.21 0.39 0.07 -0.08 0.02 0.00 0.00 177.57 177.76 2jfb h GLU 158 N 0.39 0.24 0.00 1.57 4.81 -0.97 -2.53 114.58 118.08 2jfb h GLU 158 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2jfb h GLU 158 Cb 0.65 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2jfb h GLU 158 CO 0.04 0.30 0.00 0.52 -0.73 0.00 0.00 179.01 179.14 2jfb h MET 159 N 0.12 0.00 0.00 1.92 2.86 -0.89 0.06 114.93 119.00 2jfb h MET 159 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2jfb h MET 159 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2jfb h MET 159 CO -0.01 0.00 -0.69 0.00 1.06 0.00 0.00 176.91 177.28 2jfb n ALA 160 N -2.09 3.83 -0.03 6.32 0.00 -1.05 -4.65 120.51 122.84 2jfb n ALA 160 Ca 0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 53.44 52.97 2jfb n ALA 160 Cb 0.31 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.56 0.30 -0.32 0.00 -1.04 -0.88 -4.77 114.28 106.00 2jfb n THR 161 Ca 0.05 -0.08 0.19 0.00 -2.04 0.00 0.00 64.05 62.17 2jfb n THR 161 Cb 0.35 -1.56 0.39 0.00 -1.82 0.00 0.00 70.33 67.68 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 -0.19 0.32 -0.39 -2.82 3.64 -1.24 -2.61 116.57 113.27 2jfb h LYS 162 Ca -0.14 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2jfb h LYS 162 Cb 1.12 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2jfb h LYS 162 CO -0.08 0.21 0.00 1.19 -2.27 0.00 0.00 179.45 178.50 2jfb n PHE 163 N -5.09 1.21 0.16 1.91 3.01 -1.26 -5.12 117.46 112.29 2jfb n PHE 163 Ca 0.27 -0.77 0.01 0.00 1.01 0.00 0.00 57.45 57.98 2jfb n PHE 163 Cb 0.83 -0.32 0.08 0.00 -0.01 0.00 0.00 39.48 40.06 2jfb n PHE 163 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86