#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 1.99 -0.31 2.13 1.51 -1.26 -5.11 117.35 116.30 2jfb s TYR 13 Ca 0.00 -0.58 -0.15 0.00 -1.01 0.00 0.00 57.07 55.33 2jfb s TYR 13 Cb 0.00 -1.32 -0.02 0.00 -0.11 0.00 0.00 41.96 40.50 2jfb s TYR 13 CO 0.00 -0.19 0.36 0.34 -1.11 0.00 0.00 175.55 174.96 2jfb s ASP 14 N -0.04 6.21 -0.18 2.29 3.68 -1.26 -4.84 116.67 122.53 2jfb s ASP 14 Ca -0.04 0.02 0.16 0.00 2.13 0.00 0.00 52.55 54.83 2jfb s ASP 14 Cb -0.12 -2.20 0.54 0.00 -1.45 0.00 0.00 42.92 39.69 2jfb s ASP 14 CO 0.03 -0.26 1.44 0.61 0.13 0.00 0.00 175.17 177.11 2jfb n GLY 15 N 4.84 3.93 0.22 2.66 0.00 -0.49 -4.68 105.19 111.66 2jfb n GLY 15 Ca -0.09 -1.01 0.03 0.00 0.00 0.00 0.00 46.02 44.94 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 1.96 0.11 -0.65 1.61 4.64 -1.72 -2.74 113.55 116.76 2jfb h SER 16 Ca 0.00 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 2jfb h SER 16 Cb 1.46 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 63.46 2jfb h SER 16 CO 0.23 0.36 0.11 0.29 -0.87 0.00 0.00 176.83 176.96 2jfb n LYS 17 N -4.21 4.44 -4.32 4.77 5.02 -1.26 -4.63 118.16 117.97 2jfb n LYS 17 Ca -0.02 -3.15 -0.30 0.00 -2.02 0.00 0.00 58.31 52.83 2jfb n LYS 17 Cb 0.33 -2.25 -0.10 0.00 -0.02 0.00 0.00 35.03 32.98 2jfb n LYS 17 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jfb s LEU 18 N -2.87 3.02 -0.22 -0.35 1.43 -1.04 -5.09 118.68 113.56 2jfb s LEU 18 Ca 0.55 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2jfb s LEU 18 Cb 0.43 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.86 2jfb s LEU 18 CO 0.15 0.21 -0.08 -0.60 0.23 0.00 0.00 176.35 176.26 2jfb s ARG 19 N -1.96 3.08 -0.10 1.70 3.52 -1.26 -4.68 118.95 119.24 2jfb s ARG 19 Ca 0.20 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 2jfb s ARG 19 Cb -0.11 -2.92 -0.02 0.00 -1.56 0.00 0.00 34.95 30.34 2jfb s ARG 19 CO 0.12 -0.29 -0.10 0.42 -0.81 0.00 0.00 175.30 174.64 2jfb s ILE 20 N 1.38 3.42 -0.10 4.11 -1.09 -0.48 -0.13 121.20 128.31 2jfb s ILE 20 Ca 0.03 -0.56 -0.03 0.00 -2.23 0.00 0.00 60.65 57.87 2jfb s ILE 20 Cb -0.15 -2.42 -0.03 0.00 -1.58 0.00 0.00 42.46 38.28 2jfb s ILE 20 CO -0.06 0.56 0.02 -0.83 -1.23 0.00 0.00 174.94 173.40 2jfb s GLY 21 N -0.26 1.89 -0.17 6.18 0.00 -0.54 -1.33 107.32 113.08 2jfb s GLY 21 Ca 0.03 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 43.97 2jfb s GLY 21 CO 0.03 -0.51 -0.18 -0.42 0.00 0.00 0.00 173.10 172.02 2jfb s ILE 22 N -0.82 2.30 -0.21 0.90 1.01 0.71 -0.52 121.20 124.57 2jfb s ILE 22 Ca 0.13 -0.87 -0.00 0.00 0.00 0.00 0.00 60.65 59.90 2jfb s ILE 22 Cb -0.12 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.41 2jfb s ILE 22 CO 0.02 0.53 -0.12 -0.22 0.00 0.00 0.00 174.94 175.15 2jfb s LEU 23 N 1.09 2.71 0.05 2.97 2.96 -0.91 -0.94 118.68 126.61 2jfb s LEU 23 Ca -0.00 -0.74 0.08 0.00 -0.22 0.00 0.00 54.13 53.25 2jfb s LEU 23 Cb -0.14 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 2jfb s LEU 23 CO -0.06 -0.06 -0.22 -1.38 -1.32 0.00 0.00 176.35 173.30 2jfb s HIS 24 N 1.32 1.95 0.83 5.38 -3.43 -0.71 0.37 115.29 121.00 2jfb s HIS 24 Ca 0.02 -0.39 -0.11 0.00 -0.80 0.00 0.00 55.06 53.78 2jfb s HIS 24 Cb -0.15 -1.16 0.09 0.00 -1.43 0.00 0.00 32.58 29.93 2jfb s HIS 24 CO -0.08 0.11 1.09 0.00 -2.00 0.00 0.00 174.74 173.87 2jfb s ALA 25 N -0.83 2.02 -0.71 -1.38 0.00 -0.24 -1.95 121.76 118.67 2jfb s ALA 25 Ca 0.09 -0.14 0.15 0.00 0.00 0.00 0.00 51.96 52.05 2jfb s ALA 25 Cb -0.09 -3.14 -0.17 0.00 0.00 0.00 0.00 23.12 19.72 2jfb s ALA 25 CO 0.02 -1.93 0.64 0.54 0.00 0.00 0.00 175.76 175.03 2jfb n ARG 26 N -3.58 1.93 -2.53 0.00 1.74 -0.87 -4.85 116.66 108.49 2jfb n ARG 26 Ca 0.07 -0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.76 2jfb n ARG 26 Cb 0.56 -1.22 -0.04 0.00 -1.02 0.00 0.00 32.46 30.73 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 -2.45 3.54 -1.09 -1.55 0.52 -1.24 -3.64 118.94 113.03 2jfb s TRP 27 Ca 0.06 1.71 -0.07 0.00 0.02 0.00 0.00 56.10 57.81 2jfb s TRP 27 Cb 0.12 -3.20 -0.05 0.00 -1.15 0.00 0.00 33.47 29.19 2jfb s TRP 27 CO 0.63 -0.44 0.90 0.09 0.02 0.00 0.00 176.95 178.14 2jfb n ASN 28 N 0.86 -5.65 -0.24 2.95 3.02 -1.26 -4.56 115.26 110.38 2jfb n ASN 28 Ca 0.01 -0.75 -0.06 0.00 -0.03 0.00 0.00 54.58 53.75 2jfb n ASN 28 Cb 0.46 -4.88 0.05 0.00 -0.61 0.00 0.00 39.78 34.80 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 -1.34 0.90 -0.46 3.52 9.65 -1.92 -1.71 114.38 123.02 2jfb h ARG 29 Ca -0.62 -0.08 0.06 0.00 -1.10 0.00 0.00 59.98 58.25 2jfb h ARG 29 Cb 1.32 -0.19 -0.05 0.00 -1.39 0.00 0.00 29.97 29.66 2jfb h ARG 29 CO 0.46 0.63 0.15 -0.22 2.80 0.00 0.00 179.97 183.79 2jfb h LYS 30 N 0.91 0.30 -0.28 0.20 3.64 -1.92 0.45 116.57 119.88 2jfb h LYS 30 Ca 0.24 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.42 2jfb h LYS 30 Cb -0.05 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2jfb h LYS 30 CO -0.05 0.20 -0.56 0.82 -2.27 0.00 0.00 179.45 177.60 2jfb h ILE 31 N 0.31 1.28 -0.24 2.00 2.04 -1.90 -3.07 117.51 117.93 2jfb h ILE 31 Ca 0.22 -1.74 0.05 0.00 1.00 0.00 0.00 64.86 64.38 2jfb h ILE 31 Cb 0.24 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 2jfb h ILE 31 CO -0.24 0.57 -0.04 0.40 0.00 0.00 0.00 178.15 178.83 2jfb h ILE 32 N 0.65 0.78 -0.78 -0.67 1.08 -0.79 -2.08 117.51 115.69 2jfb h ILE 32 Ca 0.01 -0.01 -0.04 0.00 -0.39 0.00 0.00 64.86 64.44 2jfb h ILE 32 Cb 1.16 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 35.63 2jfb h ILE 32 CO 0.12 0.00 0.35 0.44 -0.69 0.00 0.00 178.15 178.37 2jfb h ASP 33 N 0.02 1.04 -0.51 1.72 5.19 -0.93 -0.33 116.42 122.62 2jfb h ASP 33 Ca 0.11 -0.15 -0.07 0.00 -0.62 0.00 0.00 57.03 56.30 2jfb h ASP 33 Cb 0.17 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 2jfb h ASP 33 CO -0.23 0.91 0.07 0.00 -3.12 0.00 0.00 179.24 176.86 2jfb h ALA 34 N 1.18 1.06 -0.52 3.45 0.00 -1.43 0.46 119.26 123.45 2jfb h ALA 34 Ca 0.26 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2jfb h ALA 34 Cb 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2jfb h ALA 34 CO -0.03 0.60 0.06 -0.07 0.00 0.00 0.00 179.25 179.82 2jfb h LEU 35 N 0.86 0.84 0.11 0.00 3.38 -0.76 -1.66 115.31 118.08 2jfb h LEU 35 Ca 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2jfb h LEU 35 Cb 0.42 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2jfb h LEU 35 CO 0.01 0.90 -0.05 0.58 0.09 0.00 0.00 178.44 179.97 2jfb h VAL 36 N 0.75 1.02 -0.95 1.22 2.07 -0.84 -1.58 116.25 117.94 2jfb h VAL 36 Ca 0.15 -0.51 0.15 0.00 0.82 0.00 0.00 66.70 67.32 2jfb h VAL 36 Cb 0.43 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.47 2jfb h VAL 36 CO 0.01 0.12 0.60 0.00 0.02 0.00 0.00 177.57 178.33 2jfb h ALA 37 N 0.48 1.73 -0.35 1.67 0.00 -0.90 0.18 119.26 122.07 2jfb h ALA 37 Ca -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2jfb h ALA 37 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jfb h ALA 37 CO 0.02 -0.00 0.01 0.78 0.00 0.00 0.00 179.25 180.06 2jfb h GLY 38 N 0.78 0.66 1.03 0.00 0.00 -1.14 -0.04 103.07 104.36 2jfb h GLY 38 Ca 0.49 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 2jfb h GLY 38 CO -0.26 0.44 0.04 0.00 0.00 0.00 0.00 176.54 176.77 2jfb h ALA 39 N 0.86 0.75 -0.41 3.60 0.00 -0.24 -1.88 119.26 121.94 2jfb h ALA 39 Ca 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2jfb h ALA 39 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jfb h ALA 39 CO 0.02 0.54 0.17 0.28 0.00 0.00 0.00 179.25 180.26 2jfb h VAL 40 N 0.85 1.20 -0.04 0.00 2.07 -0.67 -1.42 116.25 118.24 2jfb h VAL 40 Ca 0.17 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2jfb h VAL 40 Cb 0.48 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2jfb h VAL 40 CO 0.02 0.22 0.03 0.50 0.02 0.00 0.00 177.57 178.36 2jfb h LYS 41 N 0.53 0.05 -0.30 1.57 3.64 -0.84 -2.18 116.57 119.02 2jfb h LYS 41 Ca 0.14 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 2jfb h LYS 41 Cb 0.18 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2jfb h LYS 41 CO -0.01 0.05 -0.33 -0.09 -2.27 0.00 0.00 179.45 176.79 2jfb h ARG 42 N 0.04 0.67 -0.09 1.90 9.65 -1.35 -2.62 114.38 122.57 2jfb h ARG 42 Ca 0.01 -0.31 0.04 0.00 -1.10 0.00 0.00 59.98 58.63 2jfb h ARG 42 Cb 0.01 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.52 2jfb h ARG 42 CO -0.00 0.91 -0.29 -0.07 2.80 0.00 0.00 179.97 183.31 2jfb h LEU 43 N 0.56 -0.89 -1.81 3.80 4.07 -1.10 -2.42 115.31 117.53 2jfb h LEU 43 Ca 0.06 0.13 -0.03 0.00 0.08 0.00 0.00 57.88 58.12 2jfb h LEU 43 Cb 0.84 0.38 -0.00 0.00 1.08 0.00 0.00 40.66 42.95 2jfb h LEU 43 CO 0.07 -0.34 -0.15 1.56 -1.08 0.00 0.00 178.44 178.50 2jfb h GLN 44 N -0.39 0.00 0.00 1.13 4.20 -1.31 -1.57 115.11 117.18 2jfb h GLN 44 Ca 0.09 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 2jfb h GLN 44 Cb 0.52 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2jfb h GLN 44 CO -0.31 0.15 -0.40 0.93 -0.67 0.00 0.00 178.83 178.53 2jfb h GLU 45 N 0.00 0.00 -0.05 1.46 5.08 -1.06 -2.70 114.58 117.31 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 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2jfb h GLU 45 CO 0.02 0.40 0.00 1.19 -1.00 0.00 0.00 179.01 179.61 2jfb n PHE 46 N -3.72 0.05 -0.00 4.33 3.01 -0.63 -4.92 117.46 115.58 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 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 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 1.12 0.57 3.67 1.37 0.00 -1.02 -1.39 105.19 109.50 2jfb n GLY 47 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.01 3.72 0.47 1.61 1.01 -0.98 -3.55 120.40 120.67 2jfb s VAL 48 Ca 0.00 0.92 -0.22 0.00 0.00 0.00 0.00 61.98 62.68 2jfb s VAL 48 Cb 0.00 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 2jfb s VAL 48 CO 0.00 -0.07 1.15 -0.54 0.00 0.00 0.00 175.10 175.65 2jfb s LYS 49 N 3.64 3.70 0.40 2.72 1.02 -1.26 -3.96 119.74 125.99 2jfb s LYS 49 Ca 0.68 1.73 0.19 0.00 0.02 0.00 0.00 55.97 58.58 2jfb s LYS 49 Cb -0.31 -2.33 0.82 0.00 -0.52 0.00 0.00 37.83 35.49 2jfb s LYS 49 CO 0.26 -0.59 1.81 1.05 -0.92 0.00 0.00 175.35 176.96 2jfb h GLU 50 N 1.89 0.00 0.00 1.68 4.11 -1.95 -1.23 114.58 119.08 2jfb h GLU 50 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2jfb h GLU 50 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2jfb h GLU 50 CO 0.60 0.34 0.00 1.05 0.07 0.00 0.00 179.01 181.06 2jfb h GLU 51 N 0.00 0.00 -0.45 1.06 9.09 -2.01 -3.00 114.58 119.28 2jfb h GLU 51 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2jfb h GLU 51 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 2jfb h GLU 51 CO 0.04 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.19 2jfb n ASN 52 N -2.39 4.48 -4.17 3.06 3.02 -0.47 -4.81 115.26 113.98 2jfb n ASN 52 Ca 0.02 -2.74 -0.36 0.00 -0.03 0.00 0.00 54.58 51.47 2jfb n ASN 52 Cb 0.28 -0.55 -0.12 0.00 -0.61 0.00 0.00 39.78 38.77 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 -2.36 3.34 -0.33 2.41 1.01 -1.13 -1.39 121.20 122.75 2jfb s ILE 53 Ca 0.45 -1.65 -0.12 0.00 0.00 0.00 0.00 60.65 59.34 2jfb s ILE 53 Cb 0.33 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 2jfb s ILE 53 CO 0.15 -0.41 0.22 -0.63 0.00 0.00 0.00 174.94 174.27 2jfb s ILE 54 N 1.24 5.09 -0.17 2.92 -1.09 -0.45 -4.98 121.20 123.77 2jfb s ILE 54 Ca 0.02 -0.28 -0.06 0.00 -2.23 0.00 0.00 60.65 58.10 2jfb s ILE 54 Cb -0.21 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 2jfb s ILE 54 CO -0.02 0.01 0.04 -0.63 -1.23 0.00 0.00 174.94 173.10 2jfb s ILE 55 N 1.69 4.56 0.06 2.92 1.01 -1.26 -0.21 121.20 129.97 2jfb s ILE 55 Ca 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 60.65 60.58 2jfb s ILE 55 Cb -0.17 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 2jfb s ILE 55 CO 0.09 0.49 -0.04 -0.70 0.00 0.00 0.00 174.94 174.78 2jfb s GLU 56 N 0.21 0.62 0.17 2.79 2.56 -0.11 -4.98 118.70 119.95 2jfb s GLU 56 Ca 0.02 -1.15 0.10 0.00 0.00 0.00 0.00 54.97 53.94 2jfb s GLU 56 Cb -0.13 0.09 -0.04 0.00 2.00 0.00 0.00 34.13 36.05 2jfb s GLU 56 CO 0.01 -0.08 -0.22 0.95 -0.56 0.00 0.00 175.26 175.36 2jfb s THR 57 N -3.46 2.10 0.10 -1.70 -4.23 -1.26 -1.73 115.64 105.46 2jfb s THR 57 Ca 0.05 -1.91 0.03 0.00 -1.18 0.00 0.00 61.69 58.67 2jfb s THR 57 Cb 0.05 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 2jfb s THR 57 CO -0.07 -0.16 -0.08 0.68 -0.54 0.00 0.00 174.62 174.45 2jfb s VAL 58 N -1.68 0.84 0.06 2.29 -7.23 -0.82 -4.92 120.40 108.94 2jfb s VAL 58 Ca 0.17 -1.82 -0.24 0.00 -1.81 0.00 0.00 61.98 58.28 2jfb s VAL 58 Cb -0.08 -1.55 -0.11 0.00 0.56 0.00 0.00 36.38 35.20 2jfb s VAL 58 CO 0.08 -0.73 1.37 -0.65 -0.31 0.00 0.00 175.10 174.86 2jfb h PRO 59 N 3.20 -0.62 0.00 4.82 0.11 -1.95 -2.63 132.00 134.94 2jfb h PRO 59 Ca -0.36 0.04 -0.42 0.00 0.11 0.00 0.00 66.00 65.38 2jfb h PRO 59 Cb 1.18 0.14 -0.09 0.00 0.11 0.00 0.00 31.00 32.34 2jfb h PRO 59 CO 0.60 -0.41 -0.35 0.41 -0.21 0.00 0.00 178.00 178.04 2jfb n GLY 60 N -1.37 3.48 0.20 -0.55 0.00 -1.26 -2.05 105.19 103.64 2jfb n GLY 60 Ca -0.08 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 43.94 2jfb n GLY 60 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jfb h SER 61 N 1.19 0.00 0.51 1.61 0.02 -1.93 -2.77 113.55 112.19 2jfb h SER 61 Ca -0.24 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 2jfb h SER 61 Cb 0.90 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2jfb h SER 61 CO 0.38 0.32 -0.23 0.15 -1.14 0.00 0.00 176.83 176.31 2jfb h PHE 62 N 0.00 0.00 -0.00 3.45 3.57 -1.97 -2.64 116.94 119.35 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 0.78 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.52 2jfb h PHE 62 CO 0.00 0.23 -0.08 0.39 -2.23 0.00 0.00 178.31 176.62 2jfb n GLU 63 N -3.72 0.60 -0.02 1.11 4.71 -1.04 -4.26 120.64 118.01 2jfb n GLU 63 Ca -0.01 -0.15 -0.11 0.00 -0.01 0.00 0.00 57.16 56.87 2jfb n GLU 63 Cb 0.34 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.22 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 0.37 0.15 0.51 -4.62 3.38 -1.56 0.33 115.31 113.87 2jfb h LEU 64 Ca 0.00 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2jfb h LEU 64 Cb 0.33 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2jfb h LEU 64 CO 0.00 0.24 -0.32 -0.65 0.09 0.00 0.00 178.44 177.80 2jfb h PRO 65 N 0.05 -0.76 -0.12 1.13 0.11 -1.79 0.51 132.00 131.11 2jfb h PRO 65 Ca 0.04 0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.07 2jfb h PRO 65 Cb 0.13 0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2jfb h PRO 65 CO -0.00 -0.51 -0.50 -0.92 -0.21 0.00 0.00 178.00 175.85 2jfb h TYR 66 N -0.79 0.40 -0.82 0.65 3.20 -1.83 -2.76 116.97 115.02 2jfb h TYR 66 Ca -0.06 -0.13 0.03 0.00 3.14 0.00 0.00 58.73 61.71 2jfb h TYR 66 Cb 0.65 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.79 2jfb h TYR 66 CO -0.10 0.77 0.53 0.78 -1.64 0.00 0.00 178.16 178.49 2jfb h GLY 67 N 1.28 1.18 1.01 1.82 0.00 -0.86 -1.33 103.07 106.18 2jfb h GLY 67 Ca 0.01 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 2jfb h GLY 67 CO 0.08 0.36 0.39 1.76 0.00 0.00 0.00 176.54 179.14 2jfb h SER 68 N 1.04 0.94 -0.35 0.19 0.02 -0.68 0.13 113.55 114.84 2jfb h SER 68 Ca 0.32 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2jfb h SER 68 Cb -0.02 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 2jfb h SER 68 CO -0.10 0.78 0.16 0.50 -1.14 0.00 0.00 176.83 177.02 2jfb h LYS 69 N 1.03 0.51 -0.44 3.45 3.64 -1.17 -0.51 116.57 123.09 2jfb h LYS 69 Ca 0.26 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.45 2jfb h LYS 69 Cb 0.06 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2jfb h LYS 69 CO -0.04 0.48 -0.17 -0.07 -2.27 0.00 0.00 179.45 177.39 2jfb h LEU 70 N 0.43 0.85 0.28 5.20 3.38 -1.04 -0.67 115.31 123.73 2jfb h LEU 70 Ca 0.12 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2jfb h LEU 70 Cb 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2jfb h LEU 70 CO -0.01 1.01 -0.32 0.15 0.09 0.00 0.00 178.44 179.36 2jfb h PHE 71 N 0.75 -0.86 -0.73 1.13 3.04 -0.59 -0.51 116.94 119.17 2jfb h PHE 71 Ca 0.11 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.10 2jfb h PHE 71 Cb 0.69 0.34 -0.04 0.00 2.56 0.00 0.00 35.95 39.49 2jfb h PHE 71 CO 0.04 -0.45 0.46 0.28 -2.02 0.00 0.00 178.31 176.63 2jfb h VAL 72 N -0.64 1.11 -0.50 1.41 2.07 -0.96 -1.72 116.25 117.02 2jfb h VAL 72 Ca -0.01 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2jfb h VAL 72 Cb 0.60 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2jfb h VAL 72 CO -0.09 0.17 -0.09 -0.33 0.02 0.00 0.00 177.57 177.25 2jfb h GLU 73 N 0.91 0.94 -0.57 1.57 4.39 -0.98 -2.10 114.58 118.73 2jfb h GLU 73 Ca 0.29 -0.34 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 2jfb h GLU 73 Cb 0.01 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2jfb h GLU 73 CO -0.11 1.00 0.11 -0.22 -1.16 0.00 0.00 179.01 178.63 2jfb h LYS 74 N 0.80 0.94 -0.45 2.33 3.64 -0.88 -2.22 116.57 120.73 2jfb h LYS 74 Ca 0.13 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 2jfb h LYS 74 Cb 0.64 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2jfb h LYS 74 CO 0.04 0.89 0.12 1.96 -2.27 0.00 0.00 179.45 180.20 2jfb h GLN 75 N 0.84 0.66 -0.56 1.90 1.08 -1.22 -0.48 115.11 117.34 2jfb h GLN 75 Ca 0.18 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 2jfb h GLN 75 Cb 0.40 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 2jfb h GLN 75 CO 0.01 0.59 0.24 0.87 -0.95 0.00 0.00 178.83 179.59 2jfb h LYS 76 N 0.65 0.83 0.00 1.46 1.57 -1.15 -0.68 116.57 119.25 2jfb h LYS 76 Ca 0.15 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 2jfb h LYS 76 Cb 0.22 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2jfb h LYS 76 CO -0.01 0.70 -0.32 0.00 -0.57 0.00 0.00 179.45 179.25 2jfb h ARG 77 N 0.76 0.00 0.00 3.15 3.08 -0.75 -2.33 114.38 118.29 2jfb h ARG 77 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2jfb h ARG 77 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2jfb h ARG 77 CO -0.02 0.32 0.00 1.28 -1.07 0.00 0.00 179.97 180.48 2jfb n LEU 78 N -4.01 0.66 0.00 3.04 4.32 -0.26 -4.91 117.00 115.85 2jfb n LEU 78 Ca -0.02 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.56 2jfb n LEU 78 Cb 0.38 -0.40 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 2jfb n LEU 78 CO 0.37 -0.25 0.00 0.61 -1.22 0.00 0.00 177.39 176.90 2jfb n GLY 79 N 0.99 0.51 2.45 -0.72 0.00 -0.88 -4.99 105.19 102.55 2jfb n GLY 79 Ca 0.05 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.88 1.99 -1.87 1.61 4.76 -0.29 -5.02 118.16 116.45 2jfb n LYS 80 Ca 0.00 -4.32 -0.34 0.00 -2.87 0.00 0.00 58.31 50.79 2jfb n LYS 80 Cb 0.00 -2.05 0.04 0.00 -1.84 0.00 0.00 35.03 31.18 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 -1.97 2.89 -0.01 1.97 0.04 -1.22 -4.48 135.00 132.21 2jfb s PRO 81 Ca 0.36 1.50 -0.14 0.00 0.04 0.00 0.00 61.00 62.76 2jfb s PRO 81 Cb 0.12 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.65 2jfb s PRO 81 CO -0.06 -1.19 0.39 -0.51 0.04 0.00 0.00 177.00 175.66 2jfb s LEU 82 N -4.58 4.47 0.21 -3.56 1.43 -1.26 -4.69 118.68 110.70 2jfb s LEU 82 Ca 0.70 0.92 0.20 0.00 -1.03 0.00 0.00 54.13 54.92 2jfb s LEU 82 Cb -0.23 -2.54 0.02 0.00 0.03 0.00 0.00 46.19 43.47 2jfb s LEU 82 CO 0.38 0.33 1.11 0.44 0.23 0.00 0.00 176.35 178.83 2jfb h ASP 83 N 4.77 0.00 -4.76 2.29 3.32 -0.93 -3.48 116.42 117.63 2jfb h ASP 83 Ca -0.52 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.55 2jfb h ASP 83 Cb 1.22 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.60 2jfb h ASP 83 CO 0.61 0.21 0.33 0.00 -1.72 0.00 0.00 179.24 178.67 2jfb s ALA 84 N -3.18 -1.76 -0.01 3.45 0.00 -1.24 -4.15 121.76 114.86 2jfb s ALA 84 Ca 0.00 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.07 2jfb s ALA 84 Cb 0.08 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 2jfb s ALA 84 CO 0.77 -0.54 -0.11 -1.50 0.00 0.00 0.00 175.76 174.39 2jfb s ILE 85 N -2.31 0.84 -0.49 0.00 2.07 -0.92 -1.47 121.20 118.92 2jfb s ILE 85 Ca -0.02 -0.46 -0.01 0.00 -1.41 0.00 0.00 60.65 58.75 2jfb s ILE 85 Cb -0.01 -0.71 0.13 0.00 0.13 0.00 0.00 42.46 42.01 2jfb s ILE 85 CO -0.02 0.24 0.27 -0.63 -1.91 0.00 0.00 174.94 172.89 2jfb s ILE 86 N -0.24 3.16 -0.03 2.00 1.01 0.32 -1.71 121.20 125.70 2jfb s ILE 86 Ca 0.04 -2.65 -0.30 0.00 0.00 0.00 0.00 60.65 57.74 2jfb s ILE 86 Cb -0.04 -3.15 -0.06 0.00 0.01 0.00 0.00 42.46 39.23 2jfb s ILE 86 CO -0.00 -0.76 1.55 -2.84 0.00 0.00 0.00 174.94 172.88 2jfb s PRO 87 N 0.42 4.21 -0.13 2.79 0.02 -1.23 -2.13 135.00 138.95 2jfb s PRO 87 Ca 0.13 2.10 0.01 0.00 0.02 0.00 0.00 61.00 63.26 2jfb s PRO 87 Cb -0.22 -3.80 -0.01 0.00 0.02 0.00 0.00 34.50 30.49 2jfb s PRO 87 CO -0.04 -0.75 -0.17 0.42 -0.33 0.00 0.00 177.00 176.14 2jfb s ILE 88 N 3.36 2.67 -0.02 2.83 1.01 0.16 -1.86 121.20 129.35 2jfb s ILE 88 Ca 0.69 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 2jfb s ILE 88 Cb -0.33 -2.10 0.03 0.00 0.01 0.00 0.00 42.46 40.07 2jfb s ILE 88 CO 0.28 0.53 0.35 -0.83 0.00 0.00 0.00 174.94 175.27 2jfb s GLY 89 N 0.49 -0.20 -0.20 6.18 0.00 -0.88 -1.08 107.32 111.63 2jfb s GLY 89 Ca -0.11 0.46 0.01 0.00 0.00 0.00 0.00 44.72 45.07 2jfb s GLY 89 CO 0.05 0.23 -0.17 0.14 0.00 0.00 0.00 173.10 173.36 2jfb s VAL 90 N -1.26 2.21 -0.16 1.40 1.01 -1.26 -0.80 120.40 121.54 2jfb s VAL 90 Ca -0.13 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.81 2jfb s VAL 90 Cb -0.05 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2jfb s VAL 90 CO 0.05 0.41 -0.17 -0.76 0.00 0.00 0.00 175.10 174.62 2jfb s LEU 91 N 1.27 2.34 -0.13 3.92 1.43 -0.09 -4.79 118.68 122.62 2jfb s LEU 91 Ca 0.02 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 2jfb s LEU 91 Cb -0.15 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.56 2jfb s LEU 91 CO -0.10 0.07 -0.21 -0.63 0.23 0.00 0.00 176.35 175.70 2jfb s ILE 92 N 0.90 2.17 0.13 -0.59 -1.09 -1.26 -1.40 121.20 120.06 2jfb s ILE 92 Ca -0.04 -0.95 -0.34 0.00 -2.23 0.00 0.00 60.65 57.08 2jfb s ILE 92 Cb -0.15 -1.86 -0.14 0.00 -1.58 0.00 0.00 42.46 38.72 2jfb s ILE 92 CO -0.02 0.55 1.55 1.17 -1.23 0.00 0.00 174.94 176.95 2jfb n LYS 93 N 3.90 1.95 0.00 2.79 3.00 -0.56 -4.87 118.16 124.37 2jfb n LYS 93 Ca -0.20 0.70 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 2jfb n LYS 93 Cb 0.52 -2.45 0.00 0.00 0.00 0.00 0.00 35.03 33.10 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 3.29 3.96 0.08 3.14 0.00 -1.26 -4.85 105.19 109.56 2jfb n GLY 94 Ca 0.18 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 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 0.83 -2.50 1.61 7.64 -1.26 -4.97 113.62 114.96 2jfb n SER 95 Ca 0.00 0.39 -0.04 0.00 1.01 0.00 0.00 58.87 60.24 2jfb n SER 95 Cb 0.00 -0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.65 0.44 -2.24 -1.26 -5.01 114.28 103.84 2jfb n THR 96 Ca -0.17 -0.32 0.11 0.00 -2.27 0.00 0.00 64.05 61.39 2jfb n THR 96 Cb 1.05 -1.10 0.28 0.00 -2.10 0.00 0.00 70.33 68.45 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 -1.28 2.15 -0.14 -0.78 0.00 -1.26 -4.48 117.12 111.33 2jfb n MET 97 Ca 0.03 -1.76 -0.03 0.00 0.00 0.00 0.00 57.70 55.94 2jfb n MET 97 Cb 0.11 -1.44 0.04 0.00 0.00 0.00 0.00 33.22 31.92 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 3.31 -0.13 -0.48 2.03 -0.00 -1.98 -2.20 115.15 115.69 2jfb h HIS 98 Ca 0.00 0.04 0.09 0.00 -0.00 0.00 0.00 60.37 60.50 2jfb h HIS 98 Cb 0.74 0.13 -0.08 0.00 -0.00 0.00 0.00 27.41 28.19 2jfb h HIS 98 CO 0.22 -0.15 -0.02 0.35 -0.00 0.00 0.00 177.93 178.34 2jfb h PHE 99 N 0.05 -0.06 -0.23 5.26 3.57 -1.89 -1.71 116.94 121.93 2jfb h PHE 99 Ca 0.23 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2jfb h PHE 99 Cb 0.34 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2jfb h PHE 99 CO -0.34 -0.12 0.15 0.93 -2.23 0.00 0.00 178.31 176.70 2jfb h GLU 100 N 0.10 0.31 0.00 1.11 3.07 -1.72 -1.71 114.58 115.74 2jfb h GLU 100 Ca 0.24 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.05 2jfb h GLU 100 Cb 0.36 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2jfb h GLU 100 CO -0.41 0.22 -0.14 1.88 -1.40 0.00 0.00 179.01 179.15 2jfb h TYR 101 N 0.31 0.00 0.02 4.33 0.05 -1.36 -2.36 116.97 117.97 2jfb h TYR 101 Ca 0.09 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.75 2jfb h TYR 101 Cb -0.02 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.73 2jfb h TYR 101 CO -0.06 0.14 -0.47 0.82 -1.05 0.00 0.00 178.16 177.54 2jfb h ILE 102 N 0.00 1.51 0.04 -2.88 1.08 -1.22 -2.92 117.51 113.12 2jfb h ILE 102 Ca -0.00 -2.13 0.02 0.00 -0.39 0.00 0.00 64.86 62.36 2jfb h ILE 102 Cb 1.06 2.82 -0.03 0.00 -3.07 0.00 0.00 36.82 37.60 2jfb h ILE 102 CO 0.02 0.60 -0.19 0.00 -0.69 0.00 0.00 178.15 177.89 2jfb h ASP 104 N -0.32 0.05 -0.36 0.00 3.58 -1.53 -0.57 116.42 117.27 2jfb h ASP 104 Ca 0.04 0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.36 2jfb h ASP 104 Cb 0.38 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 2jfb h ASP 104 CO -0.15 0.05 -0.35 0.77 -2.88 0.00 0.00 179.24 176.68 2jfb h SER 105 N 0.12 0.94 0.20 2.28 4.64 -1.52 -2.77 113.55 117.45 2jfb h SER 105 Ca 0.07 -0.47 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 2jfb h SER 105 Cb 0.04 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 2jfb h SER 105 CO -0.07 1.21 -0.10 0.74 -0.87 0.00 0.00 176.83 177.74 2jfb h THR 106 N 0.68 0.88 -0.43 2.95 2.02 -1.20 -2.34 112.91 115.47 2jfb h THR 106 Ca 0.06 -0.48 0.08 0.00 0.77 0.00 0.00 66.41 66.84 2jfb h THR 106 Cb 0.94 1.16 -0.07 0.00 -1.74 0.00 0.00 68.15 68.44 2jfb h THR 106 CO 0.09 0.11 -0.03 0.74 0.37 0.00 0.00 175.52 176.80 2jfb h THR 107 N -0.52 0.64 -0.68 3.16 2.02 -1.16 0.11 112.91 116.48 2jfb h THR 107 Ca -0.03 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 2jfb h THR 107 Cb 0.39 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2jfb h THR 107 CO 0.05 0.01 0.41 0.45 0.37 0.00 0.00 175.52 176.81 2jfb h HIS 108 N 0.08 0.89 0.01 3.16 3.86 -1.49 -1.55 115.15 120.11 2jfb h HIS 108 Ca 0.21 -0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.21 2jfb h HIS 108 Cb 0.32 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2jfb h HIS 108 CO -0.31 0.61 -0.92 1.96 0.86 0.00 0.00 177.93 180.13 2jfb h GLN 109 N 0.92 0.25 -0.43 2.45 1.08 -0.90 -1.50 115.11 116.98 2jfb h GLN 109 Ca 0.24 -0.29 -0.08 0.00 -1.45 0.00 0.00 58.65 57.08 2jfb h GLN 109 Cb -0.03 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 2jfb h GLN 109 CO -0.05 1.01 -0.05 -0.07 -0.95 0.00 0.00 178.83 178.72 2jfb h LEU 110 N 0.14 0.71 0.08 1.46 3.38 -0.73 0.12 115.31 120.47 2jfb h LEU 110 Ca -0.06 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2jfb h LEU 110 Cb 1.56 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2jfb h LEU 110 CO 0.15 0.82 -0.04 -0.03 0.09 0.00 0.00 178.44 179.43 2jfb h MET 111 N 0.68 -0.10 -0.10 1.13 4.05 -1.19 -3.00 114.93 116.40 2jfb h MET 111 Ca 0.13 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.54 2jfb h MET 111 Cb 0.50 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 2jfb h MET 111 CO 0.03 0.08 0.01 0.87 0.23 0.00 0.00 176.91 178.12 2jfb h LYS 112 N -0.27 0.14 -0.60 0.39 1.57 -1.08 -2.82 116.57 113.91 2jfb h LYS 112 Ca -0.01 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.84 2jfb h LYS 112 Cb 0.23 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 2jfb h LYS 112 CO 0.02 0.15 0.40 -0.07 -0.57 0.00 0.00 179.45 179.38 2jfb h LEU 113 N 0.14 0.41 -0.81 2.94 4.07 -0.62 -1.75 115.31 119.68 2jfb h LEU 113 Ca 0.04 0.01 0.18 0.00 0.08 0.00 0.00 57.88 58.19 2jfb h LEU 113 Cb 0.09 -0.08 -0.12 0.00 1.08 0.00 0.00 40.66 41.63 2jfb h LEU 113 CO 0.00 0.25 0.28 0.78 -1.08 0.00 0.00 178.44 178.67 2jfb h ASN 114 N 0.45 0.18 0.54 -0.43 2.35 -1.54 0.13 115.58 117.26 2jfb h ASN 114 Ca 0.27 0.15 -0.29 0.00 -0.55 0.00 0.00 56.30 55.88 2jfb h ASN 114 Cb 0.47 0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 2jfb h ASN 114 CO -0.08 -0.01 -1.52 -0.26 -1.65 0.00 0.00 177.43 173.92 2jfb h PHE 115 N 0.35 0.24 -0.17 1.19 -1.00 -1.53 -2.37 116.94 113.64 2jfb h PHE 115 Ca 0.48 -0.17 -0.21 0.00 2.81 0.00 0.00 57.97 60.88 2jfb h PHE 115 Cb 0.85 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.41 2jfb h PHE 115 CO -0.20 1.23 -0.71 0.93 -1.61 0.00 0.00 178.31 177.94 2jfb h GLU 116 N 0.04 0.74 0.00 1.51 5.08 -1.09 -3.31 114.58 117.54 2jfb h GLU 116 Ca -0.22 -0.56 -0.16 0.00 -1.00 0.00 0.00 59.36 57.41 2jfb h GLU 116 Cb 1.97 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 31.30 2jfb h GLU 116 CO 0.13 1.18 -1.24 -0.07 -1.00 0.00 0.00 179.01 178.01 2jfb h LEU 117 N 0.52 0.00 0.00 1.33 3.38 -0.89 -3.48 115.31 116.17 2jfb h LEU 117 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2jfb h LEU 117 Cb 1.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 2jfb h LEU 117 CO 0.14 0.59 -0.00 0.61 0.09 0.00 0.00 178.44 179.88 2jfb n GLY 118 N 1.37 0.48 3.24 0.83 0.00 -0.89 -5.04 105.19 105.17 2jfb n GLY 118 Ca -0.07 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.96 1.46 0.16 -0.61 -4.36 -1.22 -5.04 121.20 109.63 2jfb s ILE 119 Ca 0.00 -1.47 -0.34 0.00 -0.26 0.00 0.00 60.65 58.58 2jfb s ILE 119 Cb 0.00 -1.37 -0.14 0.00 1.25 0.00 0.00 42.46 42.20 2jfb s ILE 119 CO 0.00 -0.15 1.59 -0.81 0.24 0.00 0.00 174.94 175.81 2jfb n PRO 120 N 1.10 2.19 -3.99 0.37 -0.04 -1.26 -4.41 135.00 128.96 2jfb n PRO 120 Ca -0.20 0.79 -0.33 0.00 -0.04 0.00 0.00 63.50 63.72 2jfb n PRO 120 Cb 0.54 -2.56 -0.14 0.00 -0.04 0.00 0.00 33.50 31.29 2jfb n PRO 120 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jfb s VAL 121 N 1.02 2.51 -0.14 0.52 1.01 -1.26 -2.16 120.40 121.90 2jfb s VAL 121 Ca 0.79 -1.81 -0.25 0.00 0.00 0.00 0.00 61.98 60.71 2jfb s VAL 121 Cb -0.67 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 2jfb s VAL 121 CO 0.38 -0.27 0.79 -0.63 0.00 0.00 0.00 175.10 175.37 2jfb s ILE 122 N 1.09 4.93 -0.57 2.22 -1.09 -0.70 -4.88 121.20 122.19 2jfb s ILE 122 Ca -0.01 1.56 -0.27 0.00 -2.23 0.00 0.00 60.65 59.70 2jfb s ILE 122 Cb -0.20 -4.10 -0.01 0.00 -1.58 0.00 0.00 42.46 36.57 2jfb s ILE 122 CO -0.05 0.09 1.71 0.12 -1.23 0.00 0.00 174.94 175.58 2jfb s PHE 123 N 1.80 1.86 -0.39 3.97 5.36 -1.26 -3.56 117.98 125.75 2jfb s PHE 123 Ca 0.38 0.63 0.05 0.00 -0.96 0.00 0.00 56.93 57.03 2jfb s PHE 123 Cb -0.17 -4.20 0.48 0.00 -0.34 0.00 0.00 43.02 38.79 2jfb s PHE 123 CO 0.14 -2.31 1.52 0.41 -1.46 0.00 0.00 175.22 173.52 2jfb n GLY 124 N 5.55 5.70 3.41 13.12 0.00 -0.78 -4.99 105.19 127.20 2jfb n GLY 124 Ca 0.18 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.80 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 -4.15 4.09 -0.02 1.61 1.01 -1.26 -2.06 120.40 119.61 2jfb s VAL 125 Ca 0.53 -0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.94 2jfb s VAL 125 Cb 0.44 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2jfb s VAL 125 CO 0.01 0.33 0.88 -0.76 0.00 0.00 0.00 175.10 175.56 2jfb s LEU 126 N 1.58 4.35 -0.67 3.92 1.43 0.02 -4.95 118.68 124.36 2jfb s LEU 126 Ca 0.06 1.49 0.05 0.00 -1.03 0.00 0.00 54.13 54.69 2jfb s LEU 126 Cb -0.15 -3.39 0.16 0.00 0.03 0.00 0.00 46.19 42.84 2jfb s LEU 126 CO 0.02 -0.20 0.45 0.42 0.23 0.00 0.00 176.35 177.27 2jfb s THR 127 N 0.92 2.82 0.22 5.49 -4.23 -1.26 -0.92 115.64 118.68 2jfb s THR 127 Ca 0.47 -4.09 0.07 0.00 -1.18 0.00 0.00 61.69 56.96 2jfb s THR 127 Cb -0.20 -2.87 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 2jfb s THR 127 CO 0.24 -0.97 0.11 0.00 -0.54 0.00 0.00 174.62 173.47 2jfb n LEU 129 N -0.74 0.80 -4.33 0.00 4.77 -1.26 -1.50 117.00 114.75 2jfb n LEU 129 Ca -0.08 0.36 -0.17 0.00 -0.03 0.00 0.00 56.01 56.09 2jfb n LEU 129 Cb 0.57 0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.65 2jfb n LEU 129 CO 0.42 0.17 -0.30 0.42 -1.33 0.00 0.00 177.39 176.76 2jfb s THR 130 N -2.90 0.88 0.13 -5.08 -4.23 -1.26 -4.29 115.64 98.88 2jfb s THR 130 Ca -0.03 -2.01 -0.14 0.00 -1.18 0.00 0.00 61.69 58.32 2jfb s THR 130 Cb 0.09 -2.43 -0.02 0.00 1.34 0.00 0.00 72.50 71.47 2jfb s THR 130 CO 0.82 -0.23 1.55 0.44 -0.54 0.00 0.00 174.62 176.65 2jfb h ASP 131 N 2.45 0.74 -0.90 3.99 3.32 -1.95 -3.21 116.42 120.85 2jfb h ASP 131 Ca -0.38 -0.34 0.02 0.00 0.02 0.00 0.00 57.03 56.34 2jfb h ASP 131 Cb 1.23 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 2jfb h ASP 131 CO 0.64 0.91 0.60 -0.33 -1.72 0.00 0.00 179.24 179.33 2jfb h GLU 132 N 0.56 1.17 -0.34 3.56 5.08 -1.99 -1.52 114.58 121.10 2jfb h GLU 132 Ca 0.11 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2jfb h GLU 132 Cb 0.56 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2jfb h GLU 132 CO 0.03 0.77 0.17 1.96 -1.00 0.00 0.00 179.01 180.95 2jfb h GLN 133 N 1.20 0.35 -0.41 2.33 4.20 -1.98 -1.17 115.11 119.63 2jfb h GLN 133 Ca 0.34 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.92 2jfb h GLN 133 Cb -0.10 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 2jfb h GLN 133 CO -0.08 0.23 -0.18 0.00 -0.67 0.00 0.00 178.83 178.13 2jfb h ALA 134 N 1.17 0.90 -0.45 3.87 0.00 -1.47 -2.53 119.26 120.75 2jfb h ALA 134 Ca 0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2jfb h ALA 134 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2jfb h ALA 134 CO -0.09 0.63 0.19 0.93 0.00 0.00 0.00 179.25 180.91 2jfb h GLU 135 N 0.70 0.67 -0.69 0.00 5.08 -1.09 -2.71 114.58 116.53 2jfb h GLU 135 Ca 0.10 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2jfb h GLU 135 Cb 0.69 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2jfb h GLU 135 CO 0.05 0.60 0.40 0.00 -1.00 0.00 0.00 179.01 179.06 2jfb h ALA 136 N 1.04 0.89 -0.00 3.43 0.00 -1.07 -0.10 119.26 123.44 2jfb h ALA 136 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jfb h ALA 136 Cb 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2jfb h ALA 136 CO -0.01 0.38 -0.01 0.54 0.00 0.00 0.00 179.25 180.15 2jfb n ARG 137 N -4.53 0.99 -0.06 0.00 1.74 -0.96 -1.89 116.66 111.95 2jfb n ARG 137 Ca 0.06 -0.13 0.09 0.00 -0.77 0.00 0.00 57.85 57.09 2jfb n ARG 137 Cb 0.07 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.12 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 2.43 -1.13 7.54 0.00 -0.94 -0.67 120.51 126.85 2jfb n ALA 138 Ca 0.22 -0.76 -0.04 0.00 0.00 0.00 0.00 53.44 52.85 2jfb n ALA 138 Cb 0.17 -0.59 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 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 0.98 0.72 0.09 0.00 0.00 -0.79 -4.49 105.19 101.69 2jfb n GLY 139 Ca 0.12 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.50 0.76 -4.61 0.99 4.77 -0.09 -4.75 117.00 113.56 2jfb n LEU 140 Ca -0.04 0.41 -0.38 0.00 -0.03 0.00 0.00 56.01 55.97 2jfb n LEU 140 Cb 0.15 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 40.89 2jfb n LEU 140 CO 0.07 -0.12 -0.03 -0.63 -1.33 0.00 0.00 177.39 175.34 2jfb s ILE 141 N -3.13 5.24 0.00 -0.08 1.01 -1.25 -4.97 121.20 118.02 2jfb s ILE 141 Ca 0.09 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.15 2jfb s ILE 141 Cb 0.13 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2jfb s ILE 141 CO 0.65 0.22 0.00 1.21 0.00 0.00 0.00 174.94 177.02 2jfb n GLU 142 N 5.02 0.00 -2.64 2.79 0.00 -1.26 -2.47 120.64 122.08 2jfb n GLU 142 Ca -0.11 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 56.87 2jfb n GLU 142 Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.96 2jfb n GLU 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jfb n GLY 143 N -0.13 3.69 3.06 8.31 0.00 -1.26 -5.04 105.19 113.81 2jfb n GLY 143 Ca 0.00 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 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 -3.26 2.28 4.29 1.61 2.20 -1.03 -5.08 119.74 120.74 2jfb s LYS 144 Ca 0.38 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 2jfb s LYS 144 Cb 0.42 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.78 2jfb s LYS 144 CO -0.07 -0.09 0.00 -1.33 -0.36 0.00 0.00 175.35 173.50 2jfb n MET 145 N 4.29 0.00 -4.08 4.03 2.81 -1.26 -4.78 117.12 118.13 2jfb n MET 145 Ca -0.19 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.59 2jfb n MET 145 Cb 0.51 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.96 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 0.77 -0.51 2.03 -3.43 -1.26 -4.98 115.29 107.91 2jfb s HIS 146 Ca 0.00 -1.05 -0.29 0.00 -0.80 0.00 0.00 55.06 52.92 2jfb s HIS 146 Cb 0.00 -0.09 0.02 0.00 -1.43 0.00 0.00 32.58 31.08 2jfb s HIS 146 CO 0.00 -0.93 1.25 1.21 -2.00 0.00 0.00 174.74 174.27 2jfb s ASN 147 N -3.11 6.44 0.65 7.38 3.84 -1.26 -3.64 114.94 125.23 2jfb s ASN 147 Ca 0.29 0.39 0.43 0.00 0.21 0.00 0.00 52.86 54.18 2jfb s ASN 147 Cb 0.01 -2.55 2.28 0.00 -0.55 0.00 0.00 41.25 40.45 2jfb s ASN 147 CO 0.13 -1.43 2.31 0.45 -2.79 0.00 0.00 177.10 175.77 2jfb h HIS 148 N 9.90 0.00 -0.42 0.43 3.86 -1.20 -2.06 115.15 125.67 2jfb h HIS 148 Ca -0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 2jfb h HIS 148 Cb 1.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.52 2jfb h HIS 148 CO 1.00 0.00 0.27 0.78 0.86 0.00 0.00 177.93 180.84 2jfb h GLY 149 N 0.27 0.60 1.17 2.45 0.00 -1.79 -2.37 103.07 103.40 2jfb h GLY 149 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 2jfb h GLY 149 CO 0.00 0.22 -0.05 0.83 0.00 0.00 0.00 176.54 177.55 2jfb h GLU 150 N 0.57 0.99 -0.90 4.80 5.08 -1.46 -1.99 114.58 121.67 2jfb h GLU 150 Ca 0.15 -0.33 0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2jfb h GLU 150 Cb -0.05 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.06 2jfb h GLU 150 CO -0.03 1.00 0.58 -0.44 -1.00 0.00 0.00 179.01 179.11 2jfb h ASP 151 N 0.89 0.94 0.22 1.42 3.32 -1.56 -2.28 116.42 119.39 2jfb h ASP 151 Ca 0.15 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 2jfb h ASP 151 Cb 0.59 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2jfb h ASP 151 CO 0.04 0.63 -0.55 -0.50 -1.72 0.00 0.00 179.24 177.14 2jfb h TRP 152 N 1.10 0.44 -0.04 4.55 6.55 -1.22 -1.00 115.95 126.33 2jfb h TRP 152 Ca 0.37 -0.15 -0.00 0.00 0.95 0.00 0.00 58.89 60.05 2jfb h TRP 152 Cb 0.06 -0.08 -0.00 0.00 -0.86 0.00 0.00 29.16 28.27 2jfb h TRP 152 CO -0.02 0.82 0.02 0.78 -1.05 0.00 0.00 178.44 178.99 2jfb h GLY 153 N 1.29 0.06 1.24 1.49 0.00 -1.16 -2.13 103.07 103.85 2jfb h GLY 153 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2jfb h GLY 153 CO 0.09 0.03 0.47 0.00 0.00 0.00 0.00 176.54 177.13 2jfb h ALA 154 N 0.86 1.40 -0.58 3.60 0.00 -1.32 -2.98 119.26 120.25 2jfb h ALA 154 Ca 0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2jfb h ALA 154 Cb 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2jfb h ALA 154 CO -0.00 0.53 0.05 0.00 0.00 0.00 0.00 179.25 179.83 2jfb h ALA 155 N 1.48 0.78 -0.27 0.00 0.00 -1.04 -2.65 119.26 117.56 2jfb h ALA 155 Ca 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jfb h ALA 155 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2jfb h ALA 155 CO -0.05 0.57 0.11 0.00 0.00 0.00 0.00 179.25 179.88 2jfb h ALA 156 N 0.99 0.35 -0.41 0.00 0.00 -1.24 -1.32 119.26 117.63 2jfb h ALA 156 Ca 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jfb h ALA 156 Cb 0.49 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2jfb h ALA 156 CO 0.02 -0.07 0.25 0.28 0.00 0.00 0.00 179.25 179.73 2jfb h VAL 157 N 0.29 1.13 0.52 0.00 2.07 -1.53 -2.49 116.25 116.25 2jfb h VAL 157 Ca 0.09 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2jfb h VAL 157 Cb 0.16 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2jfb h VAL 157 CO -0.01 0.13 -0.25 -0.08 0.02 0.00 0.00 177.57 177.38 2jfb h GLU 158 N 0.54 -0.68 0.00 1.57 4.81 -1.35 -2.87 114.58 116.60 2jfb h GLU 158 Ca 0.15 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2jfb h GLU 158 Cb -0.00 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2jfb h GLU 158 CO -0.03 -0.42 -0.07 0.52 -0.73 0.00 0.00 179.01 178.28 2jfb h MET 159 N -0.76 0.00 0.00 1.92 2.86 -1.22 0.18 114.93 117.90 2jfb h MET 159 Ca -0.07 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 2jfb h MET 159 Cb 0.57 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 2jfb h MET 159 CO 0.12 0.07 -0.40 0.00 1.06 0.00 0.00 176.91 177.75 2jfb h ALA 160 N 1.93 0.78 0.00 6.32 0.00 -1.41 -3.41 119.26 123.48 2jfb h ALA 160 Ca -0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 2jfb h ALA 160 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2jfb h ALA 160 CO 0.01 0.50 -1.45 2.41 0.00 0.00 0.00 179.25 180.72 2jfb n THR 161 N -3.26 0.45 -0.33 0.00 -1.04 -0.70 -4.77 114.28 104.64 2jfb n THR 161 Ca 0.02 -0.18 0.20 0.00 -2.04 0.00 0.00 64.05 62.04 2jfb n THR 161 Cb 0.65 -0.78 0.41 0.00 -1.82 0.00 0.00 70.33 68.79 2jfb n THR 161 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2jfb h LYS 162 N 0.00 0.36 -2.36 -2.82 3.64 -0.90 -1.95 116.57 112.54 2jfb h LYS 162 Ca -0.18 -0.02 -0.75 0.00 -1.27 0.00 0.00 60.65 58.43 2jfb h LYS 162 Cb 1.28 -0.08 -0.31 0.00 -0.41 0.00 0.00 32.23 32.71 2jfb h LYS 162 CO -0.03 0.24 0.56 1.19 -2.27 0.00 0.00 179.45 179.14 2jfb n PHE 163 N -5.04 3.00 -0.48 1.91 3.01 -1.26 -5.13 117.46 113.47 2jfb n PHE 163 Ca 0.28 -2.95 0.00 0.00 1.01 0.00 0.00 57.45 55.79 2jfb n PHE 163 Cb 0.85 -1.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.29 2jfb n PHE 163 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86