#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 2.83 -0.26 2.13 1.51 -1.26 -5.09 117.35 117.21 2jfb s TYR 13 Ca 0.00 -1.52 -0.26 0.00 -1.01 0.00 0.00 57.07 54.28 2jfb s TYR 13 Cb 0.00 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 39.89 2jfb s TYR 13 CO 0.00 -0.76 0.91 0.34 -1.11 0.00 0.00 175.55 174.93 2jfb s ASP 14 N 1.32 6.89 -0.04 2.29 3.68 -1.26 -4.79 116.67 124.77 2jfb s ASP 14 Ca 0.05 1.08 0.12 0.00 2.13 0.00 0.00 52.55 55.92 2jfb s ASP 14 Cb -0.13 -2.47 0.35 0.00 -1.45 0.00 0.00 42.92 39.21 2jfb s ASP 14 CO -0.11 -0.61 1.28 0.61 0.13 0.00 0.00 175.17 176.48 2jfb n GLY 15 N 3.71 3.03 0.28 2.66 0.00 0.10 -4.71 105.19 110.26 2jfb n GLY 15 Ca 0.08 -0.50 0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 1.94 0.29 -0.53 1.61 4.64 -1.70 -2.16 113.55 117.64 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 0.87 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2jfb h SER 16 CO 0.05 0.27 0.00 0.29 -0.87 0.00 0.00 176.83 176.56 2jfb n LYS 17 N -4.44 3.35 -4.04 4.77 5.02 -1.26 -4.61 118.16 116.94 2jfb n LYS 17 Ca 0.01 -2.36 -0.29 0.00 -2.02 0.00 0.00 58.31 53.65 2jfb n LYS 17 Cb 0.12 -1.82 -0.06 0.00 -0.02 0.00 0.00 35.03 33.25 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 -1.66 3.89 -0.19 -0.35 1.43 -0.81 -5.09 118.68 115.90 2jfb s LEU 18 Ca 0.42 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 2jfb s LEU 18 Cb 0.28 -2.54 0.02 0.00 0.03 0.00 0.00 46.19 43.98 2jfb s LEU 18 CO 0.19 0.13 -0.19 -0.60 0.23 0.00 0.00 176.35 176.11 2jfb s ARG 19 N -2.72 2.96 -0.14 1.70 3.52 -1.26 -4.70 118.95 118.32 2jfb s ARG 19 Ca 0.31 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 55.06 2jfb s ARG 19 Cb -0.11 -2.61 -0.01 0.00 -1.56 0.00 0.00 34.95 30.66 2jfb s ARG 19 CO 0.24 -0.23 -0.15 0.42 -0.81 0.00 0.00 175.30 174.77 2jfb s ILE 20 N 1.29 2.84 -0.01 4.11 -1.09 0.08 -0.07 121.20 128.33 2jfb s ILE 20 Ca 0.04 -0.73 -0.12 0.00 -2.23 0.00 0.00 60.65 57.61 2jfb s ILE 20 Cb -0.13 -2.19 -0.05 0.00 -1.58 0.00 0.00 42.46 38.50 2jfb s ILE 20 CO -0.12 0.52 0.35 -0.83 -1.23 0.00 0.00 174.94 173.63 2jfb s GLY 21 N 0.53 2.40 -0.19 6.18 0.00 -0.71 -1.62 107.32 113.91 2jfb s GLY 21 Ca -0.09 -0.33 0.01 0.00 0.00 0.00 0.00 44.72 44.31 2jfb s GLY 21 CO 0.04 -0.01 -0.13 -0.42 0.00 0.00 0.00 173.10 172.59 2jfb s ILE 22 N -1.11 1.71 -0.24 0.90 1.01 0.82 -0.88 121.20 123.41 2jfb s ILE 22 Ca 0.23 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 2jfb s ILE 22 Cb -0.15 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.61 2jfb s ILE 22 CO 0.12 0.29 -0.02 -0.22 0.00 0.00 0.00 174.94 175.11 2jfb s LEU 23 N 1.39 3.16 0.11 2.97 2.96 -0.86 -1.06 118.68 127.34 2jfb s LEU 23 Ca 0.01 -0.58 0.09 0.00 -0.22 0.00 0.00 54.13 53.43 2jfb s LEU 23 Cb -0.15 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2jfb s LEU 23 CO -0.09 -0.08 -0.23 -1.38 -1.32 0.00 0.00 176.35 173.25 2jfb s HIS 24 N 1.44 1.97 0.90 5.38 -3.43 -0.55 0.04 115.29 121.04 2jfb s HIS 24 Ca 0.04 -0.40 -0.12 0.00 -0.80 0.00 0.00 55.06 53.77 2jfb s HIS 24 Cb -0.15 -1.08 0.13 0.00 -1.43 0.00 0.00 32.58 30.05 2jfb s HIS 24 CO -0.02 0.24 1.15 0.00 -2.00 0.00 0.00 174.74 174.11 2jfb s ALA 25 N -1.11 1.96 -0.57 -1.38 0.00 -0.35 -1.29 121.76 119.03 2jfb s ALA 25 Ca 0.09 -0.59 0.10 0.00 0.00 0.00 0.00 51.96 51.56 2jfb s ALA 25 Cb -0.10 -3.00 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 2jfb s ALA 25 CO 0.05 -2.18 0.46 0.54 0.00 0.00 0.00 175.76 174.63 2jfb n ARG 26 N -3.69 3.41 -2.66 0.00 1.74 -0.72 -4.81 116.66 109.94 2jfb n ARG 26 Ca 0.07 -0.14 -0.39 0.00 -0.77 0.00 0.00 57.85 56.62 2jfb n ARG 26 Cb 0.60 -0.99 -0.05 0.00 -1.02 0.00 0.00 32.46 31.00 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 -1.79 3.73 -1.15 -1.55 0.51 -1.23 -3.63 118.94 113.83 2jfb s TRP 27 Ca 0.05 1.80 -0.05 0.00 -2.12 0.00 0.00 56.10 55.78 2jfb s TRP 27 Cb 0.08 -3.06 -0.03 0.00 -0.81 0.00 0.00 33.47 29.64 2jfb s TRP 27 CO 0.36 0.01 0.90 0.09 -0.51 0.00 0.00 176.95 177.81 2jfb n ASN 28 N 1.02 -4.13 -0.18 2.95 3.02 -1.26 -4.58 115.26 112.10 2jfb n ASN 28 Ca -0.00 -0.73 -0.03 0.00 -0.03 0.00 0.00 54.58 53.79 2jfb n ASN 28 Cb 0.47 -4.83 0.17 0.00 -0.61 0.00 0.00 39.78 34.98 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 -1.56 0.94 -0.74 3.52 9.65 -1.92 -1.26 114.38 123.01 2jfb h ARG 29 Ca -0.61 -0.17 0.02 0.00 -1.10 0.00 0.00 59.98 58.13 2jfb h ARG 29 Cb 1.33 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 29.71 2jfb h ARG 29 CO 0.48 0.79 0.48 -0.22 2.80 0.00 0.00 179.97 184.30 2jfb h LYS 30 N 0.92 0.93 -0.07 0.20 3.64 -1.92 0.16 116.57 120.43 2jfb h LYS 30 Ca 0.21 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.34 2jfb h LYS 30 Cb 0.21 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2jfb h LYS 30 CO -0.02 0.62 -0.74 0.82 -2.27 0.00 0.00 179.45 177.86 2jfb h ILE 31 N 0.96 1.33 -0.20 2.00 2.04 -1.85 -3.14 117.51 118.64 2jfb h ILE 31 Ca 0.29 -2.03 0.05 0.00 1.00 0.00 0.00 64.86 64.17 2jfb h ILE 31 Cb -0.04 2.26 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 2jfb h ILE 31 CO -0.09 0.62 -0.14 0.40 0.00 0.00 0.00 178.15 178.94 2jfb h ILE 32 N 0.27 0.58 -0.92 -0.67 1.08 -0.96 -2.37 117.51 114.53 2jfb h ILE 32 Ca -0.07 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.49 2jfb h ILE 32 Cb 1.40 0.58 -0.07 0.00 -3.07 0.00 0.00 36.82 35.66 2jfb h ILE 32 CO 0.15 0.00 0.57 0.44 -0.69 0.00 0.00 178.15 178.62 2jfb h ASP 33 N -0.14 0.86 -0.48 1.72 3.32 -0.74 -0.98 116.42 119.98 2jfb h ASP 33 Ca 0.12 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 2jfb h ASP 33 Cb 0.32 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2jfb h ASP 33 CO -0.29 0.51 -0.21 0.00 -1.72 0.00 0.00 179.24 177.53 2jfb h ALA 34 N 1.47 0.68 -0.56 3.45 0.00 -1.44 -0.13 119.26 122.72 2jfb h ALA 34 Ca 0.43 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2jfb h ALA 34 Cb 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2jfb h ALA 34 CO -0.22 0.66 0.10 -0.07 0.00 0.00 0.00 179.25 179.72 2jfb h LEU 35 N 0.85 0.88 -0.14 0.00 3.38 -0.92 -1.21 115.31 118.15 2jfb h LEU 35 Ca 0.11 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2jfb h LEU 35 Cb 0.79 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2jfb h LEU 35 CO 0.07 0.91 0.08 0.58 0.09 0.00 0.00 178.44 180.16 2jfb h VAL 36 N 0.81 1.09 -1.00 1.22 2.07 -1.08 -1.43 116.25 117.92 2jfb h VAL 36 Ca 0.17 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.56 2jfb h VAL 36 Cb 0.39 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 2jfb h VAL 36 CO 0.01 0.08 0.64 0.00 0.02 0.00 0.00 177.57 178.32 2jfb h ALA 37 N 0.99 1.47 -0.26 1.67 0.00 -0.86 0.13 119.26 122.40 2jfb h ALA 37 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2jfb h ALA 37 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2jfb h ALA 37 CO -0.01 0.33 -0.02 0.78 0.00 0.00 0.00 179.25 180.33 2jfb h GLY 38 N 1.08 0.52 0.99 0.00 0.00 -1.01 -0.87 103.07 103.78 2jfb h GLY 38 Ca 0.47 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2jfb h GLY 38 CO -0.22 0.36 0.20 0.00 0.00 0.00 0.00 176.54 176.88 2jfb h ALA 39 N 0.81 0.41 -0.55 3.60 0.00 -0.64 -1.82 119.26 121.06 2jfb h ALA 39 Ca 0.07 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2jfb h ALA 39 Cb 0.45 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2jfb h ALA 39 CO 0.02 -0.10 0.31 0.28 0.00 0.00 0.00 179.25 179.75 2jfb h VAL 40 N 0.42 1.00 0.34 0.00 2.07 -0.73 -0.95 116.25 118.40 2jfb h VAL 40 Ca 0.12 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2jfb h VAL 40 Cb -0.01 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2jfb h VAL 40 CO -0.02 0.11 -0.22 0.50 0.02 0.00 0.00 177.57 177.96 2jfb h LYS 41 N 0.59 -0.52 -0.39 1.57 3.64 -0.86 -2.34 116.57 118.27 2jfb h LYS 41 Ca 0.24 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.56 2jfb h LYS 41 Cb 0.10 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2jfb h LYS 41 CO -0.14 -0.34 -0.15 -0.09 -2.27 0.00 0.00 179.45 176.46 2jfb h ARG 42 N -0.54 0.71 -0.28 1.90 9.65 -1.27 -2.15 114.38 122.41 2jfb h ARG 42 Ca -0.03 -0.25 0.06 0.00 -1.10 0.00 0.00 59.98 58.66 2jfb h ARG 42 Cb 0.45 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.91 2jfb h ARG 42 CO 0.03 0.83 -0.11 -0.07 2.80 0.00 0.00 179.97 183.44 2jfb h LEU 43 N 0.64 -0.39 -1.37 3.80 4.07 -1.10 -2.34 115.31 118.62 2jfb h LEU 43 Ca 0.11 0.10 -0.06 0.00 0.08 0.00 0.00 57.88 58.10 2jfb h LEU 43 Cb 0.61 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 2jfb h LEU 43 CO 0.04 -0.15 -0.31 1.56 -1.08 0.00 0.00 178.44 178.51 2jfb h GLN 44 N -0.07 0.00 -0.03 1.13 4.20 -1.18 -2.29 115.11 116.87 2jfb h GLN 44 Ca 0.15 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 2jfb h GLN 44 Cb 0.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2jfb h GLN 44 CO -0.33 0.31 -0.43 0.93 -0.67 0.00 0.00 178.83 178.64 2jfb h GLU 45 N 0.00 0.07 -0.16 1.46 5.08 -0.90 -2.48 114.58 117.64 2jfb h GLU 45 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2jfb h GLU 45 Cb 0.60 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2jfb h GLU 45 CO 0.04 0.49 0.00 1.19 -1.00 0.00 0.00 179.01 179.73 2jfb n PHE 46 N -4.02 0.22 -0.01 4.33 3.01 -0.92 -4.91 117.46 115.15 2jfb n PHE 46 Ca -0.02 -0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.34 2jfb n PHE 46 Cb 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 2jfb n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jfb n GLY 47 N 0.95 0.35 3.67 1.37 0.00 -0.93 0.02 105.19 110.62 2jfb n GLY 47 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.02 3.56 0.56 1.61 1.01 -0.89 -3.48 120.40 120.75 2jfb s VAL 48 Ca 0.00 0.77 -0.18 0.00 0.00 0.00 0.00 61.98 62.57 2jfb s VAL 48 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 2jfb s VAL 48 CO 0.00 -0.05 1.09 -0.54 0.00 0.00 0.00 175.10 175.60 2jfb s LYS 49 N 3.55 3.36 0.23 2.72 1.02 -1.26 -3.95 119.74 125.40 2jfb s LYS 49 Ca 0.71 1.45 -0.07 0.00 0.02 0.00 0.00 55.97 58.08 2jfb s LYS 49 Cb -0.33 -2.02 0.20 0.00 -0.52 0.00 0.00 37.83 35.15 2jfb s LYS 49 CO 0.29 -0.81 1.82 1.49 -0.92 0.00 0.00 175.35 177.21 2jfb h GLU 50 N 0.96 1.22 0.00 1.68 4.81 -1.95 -1.43 114.58 119.87 2jfb h GLU 50 Ca -0.49 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.56 2jfb h GLU 50 Cb 1.24 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.40 2jfb h GLU 50 CO 0.57 0.94 0.00 1.05 -0.73 0.00 0.00 179.01 180.84 2jfb h GLU 51 N 1.21 0.00 -0.53 1.92 4.11 -2.00 -2.21 114.58 117.08 2jfb h GLU 51 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.72 2jfb h GLU 51 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2jfb h GLU 51 CO -0.04 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.13 2jfb n ASN 52 N -2.84 3.73 -4.25 3.06 3.02 -0.55 -4.81 115.26 112.62 2jfb n ASN 52 Ca -0.02 -2.18 -0.38 0.00 -0.03 0.00 0.00 54.58 51.97 2jfb n ASN 52 Cb 0.08 -0.41 -0.12 0.00 -0.61 0.00 0.00 39.78 38.72 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 -1.34 3.72 -0.31 2.41 1.01 -0.83 -0.74 121.20 125.11 2jfb s ILE 53 Ca 0.39 -1.27 -0.10 0.00 0.00 0.00 0.00 60.65 59.67 2jfb s ILE 53 Cb 0.23 -3.17 -0.00 0.00 0.01 0.00 0.00 42.46 39.52 2jfb s ILE 53 CO 0.23 -0.26 0.16 -0.63 0.00 0.00 0.00 174.94 174.43 2jfb s ILE 54 N 1.37 4.59 -0.20 2.92 -1.09 -0.64 -4.99 121.20 123.15 2jfb s ILE 54 Ca -0.01 -0.46 -0.09 0.00 -2.23 0.00 0.00 60.65 57.87 2jfb s ILE 54 Cb -0.20 -3.36 -0.04 0.00 -1.58 0.00 0.00 42.46 37.28 2jfb s ILE 54 CO 0.02 0.04 0.10 -0.63 -1.23 0.00 0.00 174.94 173.24 2jfb s ILE 55 N 1.61 4.99 0.05 2.92 -1.09 -1.26 -0.13 121.20 128.29 2jfb s ILE 55 Ca 0.04 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 2jfb s ILE 55 Cb -0.17 -3.28 -0.03 0.00 -1.58 0.00 0.00 42.46 37.39 2jfb s ILE 55 CO 0.06 0.42 -0.05 -0.70 -1.23 0.00 0.00 174.94 173.44 2jfb s GLU 56 N 0.64 0.58 0.21 2.79 2.56 -0.23 -4.99 118.70 120.26 2jfb s GLU 56 Ca 0.05 -1.02 0.11 0.00 0.00 0.00 0.00 54.97 54.11 2jfb s GLU 56 Cb -0.13 0.01 -0.04 0.00 2.00 0.00 0.00 34.13 35.96 2jfb s GLU 56 CO 0.01 -0.05 -0.19 0.95 -0.56 0.00 0.00 175.26 175.42 2jfb s THR 57 N -2.84 2.60 0.17 -1.70 -4.23 -1.26 -1.48 115.64 106.90 2jfb s THR 57 Ca -0.00 -2.03 0.04 0.00 -1.18 0.00 0.00 61.69 58.52 2jfb s THR 57 Cb 0.00 -2.29 -0.05 0.00 1.34 0.00 0.00 72.50 71.51 2jfb s THR 57 CO -0.05 -0.19 -0.07 0.68 -0.54 0.00 0.00 174.62 174.45 2jfb s VAL 58 N -1.88 1.12 0.06 2.29 -7.23 -0.41 -4.91 120.40 109.44 2jfb s VAL 58 Ca 0.24 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.06 2jfb s VAL 58 Cb -0.07 -1.98 -0.15 0.00 0.56 0.00 0.00 36.38 34.73 2jfb s VAL 58 CO 0.12 -0.63 1.45 -0.65 -0.31 0.00 0.00 175.10 175.08 2jfb h PRO 59 N 2.70 -0.91 -5.01 4.82 0.11 -1.94 -2.52 132.00 129.25 2jfb h PRO 59 Ca -0.37 0.06 -0.53 0.00 0.11 0.00 0.00 66.00 65.27 2jfb h PRO 59 Cb 1.20 0.21 -0.13 0.00 0.11 0.00 0.00 31.00 32.38 2jfb h PRO 59 CO 0.64 -0.61 -0.52 0.20 -0.21 0.00 0.00 178.00 177.51 2jfb s GLY 60 N -1.84 2.52 0.50 -0.55 0.00 -1.26 -1.76 107.32 104.93 2jfb s GLY 60 Ca -0.15 -1.41 0.23 0.00 0.00 0.00 0.00 44.72 43.39 2jfb s GLY 60 CO 0.48 -1.76 2.06 1.76 0.00 0.00 0.00 173.10 175.64 2jfb h SER 61 N 1.88 0.00 0.38 1.64 0.02 -1.93 -2.40 113.55 113.13 2jfb h SER 61 Ca -0.34 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.54 2jfb h SER 61 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 2jfb h SER 61 CO 0.53 0.13 -0.35 0.15 -1.14 0.00 0.00 176.83 176.15 2jfb h PHE 62 N 0.00 0.00 -0.00 3.45 3.57 -1.97 -2.46 116.94 119.54 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 0.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2jfb h PHE 62 CO 0.00 0.35 -0.11 0.39 -2.23 0.00 0.00 178.31 176.71 2jfb n GLU 63 N -4.07 0.55 0.09 1.11 4.71 -0.91 -4.26 120.64 117.87 2jfb n GLU 63 Ca -0.02 -0.16 -0.13 0.00 -0.01 0.00 0.00 57.16 56.84 2jfb n GLU 63 Cb 0.40 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.25 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 0.40 -0.14 0.22 -4.62 3.38 -1.46 0.74 115.31 113.83 2jfb h LEU 64 Ca 0.00 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2jfb h LEU 64 Cb 0.37 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2jfb h LEU 64 CO 0.00 -0.05 -0.26 -0.65 0.09 0.00 0.00 178.44 177.57 2jfb h PRO 65 N -0.22 -0.51 -0.04 1.13 0.11 -1.76 0.16 132.00 130.87 2jfb h PRO 65 Ca -0.02 0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.98 2jfb h PRO 65 Cb 0.17 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 2jfb h PRO 65 CO 0.03 -0.34 -0.63 -0.92 -0.21 0.00 0.00 178.00 175.93 2jfb h TYR 66 N -0.53 0.20 -0.87 0.65 3.20 -1.82 -2.76 116.97 115.05 2jfb h TYR 66 Ca 0.00 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.81 2jfb h TYR 66 Cb 0.51 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 2jfb h TYR 66 CO -0.19 0.74 0.57 0.78 -1.64 0.00 0.00 178.16 178.42 2jfb h GLY 67 N 1.63 1.22 1.00 1.82 0.00 -0.75 -1.66 103.07 106.33 2jfb h GLY 67 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2jfb h GLY 67 CO 0.09 0.44 0.32 1.76 0.00 0.00 0.00 176.54 179.15 2jfb h SER 68 N 1.17 0.57 -0.33 0.19 0.02 -0.68 0.17 113.55 114.66 2jfb h SER 68 Ca 0.32 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 2jfb h SER 68 Cb -0.13 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 2jfb h SER 68 CO -0.07 0.42 0.18 0.50 -1.14 0.00 0.00 176.83 176.72 2jfb h LYS 69 N 0.67 0.46 -0.60 3.45 3.64 -1.27 0.49 116.57 123.41 2jfb h LYS 69 Ca 0.18 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 2jfb h LYS 69 Cb -0.07 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 2jfb h LYS 69 CO -0.04 0.40 0.16 -0.07 -2.27 0.00 0.00 179.45 177.64 2jfb h LEU 70 N 0.41 0.86 -0.04 5.20 3.38 -1.06 0.35 115.31 124.41 2jfb h LEU 70 Ca 0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jfb h LEU 70 Cb 0.08 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2jfb h LEU 70 CO -0.02 0.82 0.01 0.15 0.09 0.00 0.00 178.44 179.49 2jfb h PHE 71 N 0.89 0.06 -0.46 1.13 3.57 -0.44 -1.09 116.94 120.59 2jfb h PHE 71 Ca 0.20 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2jfb h PHE 71 Cb 0.29 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2jfb h PHE 71 CO 0.02 0.22 0.29 0.28 -2.23 0.00 0.00 178.31 176.90 2jfb h VAL 72 N -0.13 1.13 -0.70 1.41 2.07 -0.64 -1.42 116.25 117.97 2jfb h VAL 72 Ca 0.01 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 2jfb h VAL 72 Cb 0.19 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2jfb h VAL 72 CO -0.00 0.12 0.27 -0.33 0.02 0.00 0.00 177.57 177.66 2jfb h GLU 73 N 0.62 1.05 -0.55 1.57 4.39 -0.90 -2.17 114.58 118.58 2jfb h GLU 73 Ca 0.17 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2jfb h GLU 73 Cb -0.05 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.41 2jfb h GLU 73 CO -0.03 0.88 0.32 -0.22 -1.16 0.00 0.00 179.01 178.79 2jfb h LYS 74 N 1.00 0.76 -0.03 2.33 3.64 -0.97 -2.14 116.57 121.15 2jfb h LYS 74 Ca 0.23 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2jfb h LYS 74 Cb 0.22 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2jfb h LYS 74 CO -0.02 0.57 -0.26 1.96 -2.27 0.00 0.00 179.45 179.42 2jfb h GLN 75 N 0.75 0.06 -0.27 1.90 1.08 -1.05 -1.52 115.11 116.05 2jfb h GLN 75 Ca 0.20 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.31 2jfb h GLN 75 Cb 0.01 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2jfb h GLN 75 CO -0.03 0.32 -0.10 0.87 -0.95 0.00 0.00 178.83 178.93 2jfb h LYS 76 N 0.05 0.55 0.00 1.46 1.57 -1.11 -0.44 116.57 118.66 2jfb h LYS 76 Ca 0.01 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 2jfb h LYS 76 Cb 0.50 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2jfb h LYS 76 CO 0.04 0.78 -0.13 0.00 -0.57 0.00 0.00 179.45 179.57 2jfb h ARG 77 N 0.30 0.00 0.00 3.15 3.08 -0.93 -1.71 114.38 118.27 2jfb h ARG 77 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2jfb h ARG 77 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2jfb h ARG 77 CO 0.03 0.13 -0.14 1.28 -1.07 0.00 0.00 179.97 180.20 2jfb n LEU 78 N -3.48 0.25 -0.15 3.04 4.32 -0.61 -4.93 117.00 115.44 2jfb n LEU 78 Ca -0.01 0.39 -0.02 0.00 -0.02 0.00 0.00 56.01 56.35 2jfb n LEU 78 Cb 0.28 -0.41 -0.01 0.00 -1.62 0.00 0.00 43.42 41.67 2jfb n LEU 78 CO 0.30 0.00 -0.02 0.61 -1.22 0.00 0.00 177.39 177.06 2jfb n GLY 79 N 1.47 0.52 2.40 -0.72 0.00 -0.64 -4.99 105.19 103.23 2jfb n GLY 79 Ca 0.06 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 44.83 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 1.21 -2.22 1.61 5.02 -0.19 -5.03 118.16 115.69 2jfb n LYS 80 Ca -0.02 -3.76 -0.38 0.00 -2.02 0.00 0.00 58.31 52.13 2jfb n LYS 80 Cb 0.08 -1.74 -0.01 0.00 -0.02 0.00 0.00 35.03 33.34 2jfb n LYS 80 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2jfb s PRO 81 N -1.26 3.80 0.26 1.97 0.02 -1.21 -4.51 135.00 134.08 2jfb s PRO 81 Ca 0.34 1.85 -0.26 0.00 0.02 0.00 0.00 61.00 62.96 2jfb s PRO 81 Cb 0.10 -2.49 -0.09 0.00 0.02 0.00 0.00 34.50 32.04 2jfb s PRO 81 CO -0.12 -0.54 0.88 -0.51 -0.33 0.00 0.00 177.00 176.39 2jfb s LEU 82 N -2.88 4.44 0.01 -5.54 1.43 -1.26 -4.69 118.68 110.19 2jfb s LEU 82 Ca 0.62 1.76 0.18 0.00 -1.03 0.00 0.00 54.13 55.65 2jfb s LEU 82 Cb -0.31 -3.74 -0.17 0.00 0.03 0.00 0.00 46.19 41.99 2jfb s LEU 82 CO 0.38 0.04 0.68 0.47 0.23 0.00 0.00 176.35 178.14 2jfb n ASP 83 N 0.94 0.64 -3.78 2.29 8.00 0.89 -4.98 116.55 120.55 2jfb n ASP 83 Ca -0.01 0.28 -0.09 0.00 0.71 0.00 0.00 54.79 55.68 2jfb n ASP 83 Cb 0.49 0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 42.05 2jfb n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jfb s ALA 84 N -2.93 -1.01 0.00 2.24 0.00 -1.24 -4.19 121.76 114.63 2jfb s ALA 84 Ca -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2jfb s ALA 84 Cb 0.09 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 24.09 2jfb s ALA 84 CO 0.82 -0.88 -0.01 -1.50 0.00 0.00 0.00 175.76 174.19 2jfb s ILE 85 N -3.89 0.08 -0.38 0.00 2.07 -0.58 -1.73 121.20 116.76 2jfb s ILE 85 Ca 0.11 -0.23 0.04 0.00 -1.41 0.00 0.00 60.65 59.15 2jfb s ILE 85 Cb -0.03 -0.11 0.11 0.00 0.13 0.00 0.00 42.46 42.56 2jfb s ILE 85 CO 0.01 -0.09 0.10 -0.63 -1.91 0.00 0.00 174.94 172.42 2jfb s ILE 86 N -0.33 2.40 -0.17 2.00 1.01 -0.06 -1.44 121.20 124.63 2jfb s ILE 86 Ca -0.03 -2.55 -0.29 0.00 0.00 0.00 0.00 60.65 57.78 2jfb s ILE 86 Cb -0.02 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 2jfb s ILE 86 CO -0.00 -0.65 1.20 -2.84 0.00 0.00 0.00 174.94 172.64 2jfb s PRO 87 N 0.65 4.26 -0.17 2.79 0.02 -1.23 -2.04 135.00 139.27 2jfb s PRO 87 Ca 0.12 1.58 -0.01 0.00 0.02 0.00 0.00 61.00 62.71 2jfb s PRO 87 Cb -0.21 -3.71 -0.01 0.00 0.02 0.00 0.00 34.50 30.60 2jfb s PRO 87 CO -0.06 -0.65 -0.11 0.42 -0.33 0.00 0.00 177.00 176.27 2jfb s ILE 88 N 3.25 2.99 0.02 2.83 1.01 0.11 -1.93 121.20 129.47 2jfb s ILE 88 Ca 0.52 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 2jfb s ILE 88 Cb -0.20 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 2jfb s ILE 88 CO 0.13 0.49 0.07 -0.83 0.00 0.00 0.00 174.94 174.81 2jfb s GLY 89 N 0.92 0.14 -0.22 6.18 0.00 -0.61 -1.21 107.32 112.51 2jfb s GLY 89 Ca -0.02 -0.37 0.01 0.00 0.00 0.00 0.00 44.72 44.34 2jfb s GLY 89 CO -0.01 -0.48 -0.10 0.14 0.00 0.00 0.00 173.10 172.65 2jfb s VAL 90 N -1.66 1.78 -0.18 1.40 1.01 -1.26 0.02 120.40 121.51 2jfb s VAL 90 Ca -0.13 -1.20 -0.01 0.00 0.00 0.00 0.00 61.98 60.64 2jfb s VAL 90 Cb -0.07 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.43 2jfb s VAL 90 CO -0.00 0.10 -0.13 -0.76 0.00 0.00 0.00 175.10 174.31 2jfb s LEU 91 N 1.31 2.54 -0.09 3.92 1.43 0.77 -4.79 118.68 123.78 2jfb s LEU 91 Ca -0.04 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2jfb s LEU 91 Cb -0.17 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 2jfb s LEU 91 CO -0.07 0.03 -0.15 -0.63 0.23 0.00 0.00 176.35 175.76 2jfb s ILE 92 N 1.17 2.99 0.11 -0.59 -1.09 -1.26 -0.72 121.20 121.80 2jfb s ILE 92 Ca 0.01 -0.72 -0.31 0.00 -2.23 0.00 0.00 60.65 57.41 2jfb s ILE 92 Cb -0.14 -2.20 -0.10 0.00 -1.58 0.00 0.00 42.46 38.44 2jfb s ILE 92 CO -0.05 0.56 1.83 -0.75 -1.23 0.00 0.00 174.94 175.30 2jfb s LYS 93 N -0.20 4.14 0.00 2.79 2.47 -0.47 -4.85 119.74 123.61 2jfb s LYS 93 Ca 0.00 2.58 0.00 0.00 -1.56 0.00 0.00 55.97 56.99 2jfb s LYS 93 Cb -0.13 -3.66 0.00 0.00 -1.46 0.00 0.00 37.83 32.58 2jfb s LYS 93 CO 0.03 -0.85 0.00 0.41 0.16 0.00 0.00 175.35 175.10 2jfb n GLY 94 N 4.25 1.89 0.09 5.54 0.00 -1.26 -4.87 105.19 110.82 2jfb n GLY 94 Ca 0.18 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 44.31 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 0.64 -2.31 1.61 7.64 -1.26 -4.98 113.62 114.95 2jfb n SER 95 Ca 0.00 0.30 -0.02 0.00 1.01 0.00 0.00 58.87 60.16 2jfb n SER 95 Cb 0.00 0.29 0.01 0.00 -1.01 0.00 0.00 64.21 63.50 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 -2.92 0.00 1.16 0.44 -2.24 -1.26 -5.01 114.28 104.45 2jfb n THR 96 Ca -0.19 -0.20 0.10 0.00 -2.27 0.00 0.00 64.05 61.49 2jfb n THR 96 Cb 1.02 -1.08 0.35 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.78 -0.23 -0.78 0.00 -1.26 -4.39 117.12 111.08 2jfb n MET 97 Ca 0.02 -1.17 0.03 0.00 0.00 0.00 0.00 57.70 56.58 2jfb n MET 97 Cb 0.07 -1.39 0.14 0.00 0.00 0.00 0.00 33.22 32.04 2jfb n MET 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2jfb h HIS 98 N 2.33 0.36 -0.36 2.03 -0.00 -1.98 -1.48 115.15 116.05 2jfb h HIS 98 Ca 0.00 0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.48 2jfb h HIS 98 Cb 0.51 -0.06 -0.08 0.00 -0.00 0.00 0.00 27.41 27.79 2jfb h HIS 98 CO 0.12 0.02 -0.17 0.35 -0.00 0.00 0.00 177.93 178.26 2jfb h PHE 99 N 0.36 -0.41 -0.44 5.26 3.57 -1.89 -2.12 116.94 121.27 2jfb h PHE 99 Ca 0.36 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.91 2jfb h PHE 99 Cb 0.53 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 2jfb h PHE 99 CO -0.20 -0.24 0.28 0.93 -2.23 0.00 0.00 178.31 176.84 2jfb h GLU 100 N -0.10 0.55 0.01 1.11 3.07 -1.59 -1.69 114.58 115.94 2jfb h GLU 100 Ca 0.18 -0.03 -0.21 0.00 -0.50 0.00 0.00 59.36 58.80 2jfb h GLU 100 Cb 0.38 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 2jfb h GLU 100 CO -0.43 0.36 -1.01 1.88 -1.40 0.00 0.00 179.01 178.42 2jfb h TYR 101 N 0.57 0.03 0.01 4.33 0.05 -1.40 -2.16 116.97 118.39 2jfb h TYR 101 Ca 0.17 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 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 -0.06 1.01 -0.00 0.82 -1.05 0.00 0.00 178.16 178.88 2jfb h ILE 102 N 0.00 1.27 0.05 -2.88 1.08 -1.35 -2.96 117.51 112.73 2jfb h ILE 102 Ca -0.02 -0.83 0.02 0.00 -0.39 0.00 0.00 64.86 63.65 2jfb h ILE 102 Cb 1.77 1.83 -0.04 0.00 -3.07 0.00 0.00 36.82 37.31 2jfb h ILE 102 CO 0.13 0.21 -0.23 0.00 -0.69 0.00 0.00 178.15 177.58 2jfb h ASP 104 N -0.39 -0.90 0.22 0.00 3.58 -1.46 0.37 116.42 117.83 2jfb h ASP 104 Ca 0.05 0.08 -0.15 0.00 0.42 0.00 0.00 57.03 57.43 2jfb h ASP 104 Cb 0.45 0.31 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 2jfb h ASP 104 CO -0.17 -0.46 -0.56 0.77 -2.88 0.00 0.00 179.24 175.94 2jfb h SER 105 N -0.67 0.41 0.06 2.28 4.64 -1.55 -2.39 113.55 116.33 2jfb h SER 105 Ca -0.01 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2jfb h SER 105 Cb 0.62 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2jfb h SER 105 CO -0.08 0.88 -0.03 0.74 -0.87 0.00 0.00 176.83 177.47 2jfb h THR 106 N 0.28 1.07 -0.23 2.95 2.02 -1.10 -2.10 112.91 115.80 2jfb h THR 106 Ca 0.00 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.81 2jfb h THR 106 Cb 1.07 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 2jfb h THR 106 CO 0.09 0.10 0.01 0.74 0.37 0.00 0.00 175.52 176.84 2jfb h THR 107 N -0.26 0.85 -0.84 3.16 2.02 -0.90 -1.44 112.91 115.49 2jfb h THR 107 Ca -0.01 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 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 0.01 0.01 0.52 0.45 0.37 0.00 0.00 175.52 176.88 2jfb h HIS 108 N 0.08 1.10 -0.37 3.16 3.86 -1.44 -1.67 115.15 119.87 2jfb h HIS 108 Ca 0.11 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.15 2jfb h HIS 108 Cb 0.13 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 2jfb h HIS 108 CO -0.18 0.73 -0.40 1.96 0.86 0.00 0.00 177.93 180.90 2jfb h GLN 109 N 1.16 0.93 -0.73 2.45 1.08 -1.20 -2.01 115.11 116.78 2jfb h GLN 109 Ca 0.30 -0.50 -0.04 0.00 -1.45 0.00 0.00 58.65 56.97 2jfb h GLN 109 Cb -0.06 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 2jfb h GLN 109 CO -0.06 1.15 0.31 -0.07 -0.95 0.00 0.00 178.83 179.21 2jfb h LEU 110 N 0.75 0.98 0.28 1.46 3.38 -1.10 0.33 115.31 121.39 2jfb h LEU 110 Ca 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2jfb h LEU 110 Cb 1.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2jfb h LEU 110 CO 0.10 0.86 -0.14 -0.03 0.09 0.00 0.00 178.44 179.32 2jfb h MET 111 N 1.05 -0.37 0.00 1.13 4.05 -1.23 -2.91 114.93 116.66 2jfb h MET 111 Ca 0.25 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 2jfb h MET 111 Cb 0.17 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 2jfb h MET 111 CO -0.02 -0.23 -0.07 0.87 0.23 0.00 0.00 176.91 177.69 2jfb h LYS 112 N -0.40 0.00 0.00 0.39 1.57 -1.13 -3.01 116.57 114.00 2jfb h LYS 112 Ca -0.04 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2jfb h LYS 112 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2jfb h LYS 112 CO 0.06 0.07 -0.14 1.25 -0.57 0.00 0.00 179.45 180.12 2jfb h LEU 113 N 0.00 0.00 -0.76 2.94 5.85 -0.72 -1.63 115.31 120.99 2jfb h LEU 113 Ca -0.00 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.85 2jfb h LEU 113 Cb 0.13 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.07 2jfb h LEU 113 CO 0.01 0.14 0.33 0.78 -0.34 0.00 0.00 178.44 179.37 2jfb h ASN 114 N 0.00 0.36 0.66 1.25 2.35 -1.58 -0.12 115.58 118.50 2jfb h ASN 114 Ca -0.00 0.10 -0.27 0.00 -0.55 0.00 0.00 56.30 55.58 2jfb h ASN 114 Cb 0.31 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 2jfb h ASN 114 CO 0.02 0.16 -1.41 -0.26 -1.65 0.00 0.00 177.43 174.29 2jfb h PHE 115 N 0.51 0.12 -0.02 1.19 -1.00 -1.52 -2.39 116.94 113.83 2jfb h PHE 115 Ca 0.41 -0.09 -0.25 0.00 2.81 0.00 0.00 57.97 60.84 2jfb h PHE 115 Cb 0.58 -0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.15 2jfb h PHE 115 CO -0.14 1.11 -0.98 0.93 -1.61 0.00 0.00 178.31 177.62 2jfb h GLU 116 N 0.02 0.70 0.00 1.51 5.08 -1.31 -3.32 114.58 117.26 2jfb h GLU 116 Ca -0.17 -0.72 -0.07 0.00 -1.00 0.00 0.00 59.36 57.39 2jfb h GLU 116 Cb 1.92 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 31.36 2jfb h GLU 116 CO 0.12 1.31 -0.94 -0.07 -1.00 0.00 0.00 179.01 178.42 2jfb h LEU 117 N 0.38 0.00 0.19 1.33 3.38 -1.15 -3.48 115.31 115.96 2jfb h LEU 117 Ca -0.12 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 2jfb h LEU 117 Cb 1.63 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.35 2jfb h LEU 117 CO 0.19 0.25 -0.08 0.61 0.09 0.00 0.00 178.44 179.51 2jfb n GLY 118 N 1.24 0.69 3.14 0.83 0.00 -0.90 -5.03 105.19 105.16 2jfb n GLY 118 Ca -0.02 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.07 0.86 0.11 -0.61 -4.36 -1.22 -5.05 121.20 108.87 2jfb s ILE 119 Ca 0.00 -1.38 -0.32 0.00 -0.26 0.00 0.00 60.65 58.68 2jfb s ILE 119 Cb 0.00 -1.06 -0.12 0.00 1.25 0.00 0.00 42.46 42.54 2jfb s ILE 119 CO 0.00 -0.42 1.78 -2.65 0.24 0.00 0.00 174.94 173.89 2jfb n PRO 120 N 1.02 2.60 -3.80 0.37 -0.02 -1.26 -4.39 135.00 129.52 2jfb n PRO 120 Ca -0.19 0.95 -0.37 0.00 -2.02 0.00 0.00 63.50 61.86 2jfb n PRO 120 Cb 0.56 -2.81 -0.13 0.00 -0.02 0.00 0.00 33.50 31.10 2jfb n PRO 120 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jfb s VAL 121 N 2.38 3.51 -0.16 -1.45 1.01 -1.26 -1.53 120.40 122.90 2jfb s VAL 121 Ca 0.82 -1.26 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 2jfb s VAL 121 Cb -0.55 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2jfb s VAL 121 CO 0.39 -0.19 0.69 -0.63 0.00 0.00 0.00 175.10 175.36 2jfb s ILE 122 N 1.34 5.00 -0.71 2.22 -1.09 -0.52 -4.90 121.20 122.53 2jfb s ILE 122 Ca -0.02 1.35 -0.26 0.00 -2.23 0.00 0.00 60.65 59.49 2jfb s ILE 122 Cb -0.20 -4.01 -0.02 0.00 -1.58 0.00 0.00 42.46 36.65 2jfb s ILE 122 CO 0.01 0.13 1.81 0.12 -1.23 0.00 0.00 174.94 175.78 2jfb s PHE 123 N 1.68 1.79 -0.46 3.97 5.36 -1.26 -3.56 117.98 125.49 2jfb s PHE 123 Ca 0.33 0.60 0.04 0.00 -0.96 0.00 0.00 56.93 56.94 2jfb s PHE 123 Cb -0.16 -4.16 0.52 0.00 -0.34 0.00 0.00 43.02 38.88 2jfb s PHE 123 CO 0.13 -2.13 1.74 0.41 -1.46 0.00 0.00 175.22 173.90 2jfb n GLY 124 N 6.01 5.36 3.41 13.12 0.00 -0.81 -4.96 105.19 127.32 2jfb n GLY 124 Ca 0.24 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 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 -4.01 4.29 0.01 1.61 1.01 -1.25 -1.58 120.40 120.48 2jfb s VAL 125 Ca 0.56 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 2jfb s VAL 125 Cb 0.46 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 2jfb s VAL 125 CO 0.03 0.18 0.96 -0.76 0.00 0.00 0.00 175.10 175.51 2jfb s LEU 126 N 1.58 4.38 -0.63 3.92 1.43 0.10 -4.93 118.68 124.53 2jfb s LEU 126 Ca 0.05 1.65 0.05 0.00 -1.03 0.00 0.00 54.13 54.84 2jfb s LEU 126 Cb -0.16 -3.55 0.16 0.00 0.03 0.00 0.00 46.19 42.67 2jfb s LEU 126 CO 0.04 -0.24 0.42 0.42 0.23 0.00 0.00 176.35 177.22 2jfb s THR 127 N 0.91 2.58 0.38 5.49 -4.23 -1.26 -0.16 115.64 119.35 2jfb s THR 127 Ca 0.51 -3.88 0.08 0.00 -1.18 0.00 0.00 61.69 57.22 2jfb s THR 127 Cb -0.21 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 2jfb s THR 127 CO 0.28 -0.97 0.31 0.00 -0.54 0.00 0.00 174.62 173.70 2jfb n LEU 129 N -1.42 0.00 -4.35 0.00 4.77 -1.26 -1.37 117.00 113.36 2jfb n LEU 129 Ca 0.01 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 2jfb n LEU 129 Cb 0.61 0.34 -0.10 0.00 -2.33 0.00 0.00 43.42 41.94 2jfb n LEU 129 CO 0.43 0.34 -0.38 0.42 -1.33 0.00 0.00 177.39 176.87 2jfb s THR 130 N -2.74 1.41 0.21 -5.08 -4.23 -1.26 -4.23 115.64 99.73 2jfb s THR 130 Ca -0.09 -2.11 -0.09 0.00 -1.18 0.00 0.00 61.69 58.23 2jfb s THR 130 Cb 0.08 -2.23 0.15 0.00 1.34 0.00 0.00 72.50 71.84 2jfb s THR 130 CO 0.81 -0.45 1.78 0.44 -0.54 0.00 0.00 174.62 176.67 2jfb h ASP 131 N 2.48 1.04 -0.80 3.99 3.32 -1.96 -3.05 116.42 121.43 2jfb h ASP 131 Ca -0.38 -0.15 0.07 0.00 0.02 0.00 0.00 57.03 56.58 2jfb h ASP 131 Cb 1.22 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.44 2jfb h ASP 131 CO 0.65 0.91 0.48 -0.08 -1.72 0.00 0.00 179.24 179.47 2jfb h GLU 132 N 1.10 0.85 -0.71 3.56 4.22 -1.98 0.09 114.58 121.71 2jfb h GLU 132 Ca 0.26 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.65 2jfb h GLU 132 Cb 0.17 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2jfb h GLU 132 CO -0.03 0.56 0.43 1.96 -2.18 0.00 0.00 179.01 179.76 2jfb h GLN 133 N 0.87 0.96 -0.26 1.92 4.20 -1.95 0.17 115.11 121.02 2jfb h GLN 133 Ca 0.36 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.93 2jfb h GLN 133 Cb 0.20 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2jfb h GLN 133 CO -0.18 0.68 -0.05 0.00 -0.67 0.00 0.00 178.83 178.60 2jfb h ALA 134 N 1.23 0.36 -0.95 3.87 0.00 -1.37 -2.08 119.26 120.32 2jfb h ALA 134 Ca 0.26 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jfb h ALA 134 Cb -0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 2jfb h ALA 134 CO -0.05 0.14 0.63 0.93 0.00 0.00 0.00 179.25 180.90 2jfb h GLU 135 N 0.24 1.23 -0.36 0.00 5.08 -0.74 -1.41 114.58 118.63 2jfb h GLU 135 Ca 0.07 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2jfb h GLU 135 Cb 0.51 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2jfb h GLU 135 CO 0.02 0.82 -0.21 0.00 -1.00 0.00 0.00 179.01 178.64 2jfb h ALA 136 N 1.36 0.96 -0.01 3.43 0.00 -0.59 0.10 119.26 124.51 2jfb h ALA 136 Ca 0.35 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jfb h ALA 136 Cb -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2jfb h ALA 136 CO -0.08 0.60 -0.01 0.54 0.00 0.00 0.00 179.25 180.30 2jfb n ARG 137 N -4.12 1.33 -0.04 0.00 1.74 -0.79 -3.00 116.66 111.78 2jfb n ARG 137 Ca 0.00 -0.53 0.08 0.00 -0.77 0.00 0.00 57.85 56.63 2jfb n ARG 137 Cb 0.41 -1.49 0.09 0.00 -1.02 0.00 0.00 32.46 30.45 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 -0.37 2.44 -1.25 7.54 0.00 -0.56 -0.63 120.51 127.69 2jfb n ALA 138 Ca 0.21 -0.72 -0.03 0.00 0.00 0.00 0.00 53.44 52.90 2jfb n ALA 138 Cb 0.25 -0.55 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 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 0.91 0.53 0.04 0.00 0.00 -1.05 -4.48 105.19 101.14 2jfb n GLY 139 Ca 0.10 -0.93 0.12 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.32 0.64 -4.64 0.99 4.77 0.33 -4.78 117.00 113.99 2jfb n LEU 140 Ca -0.03 0.08 -0.38 0.00 -0.03 0.00 0.00 56.01 55.65 2jfb n LEU 140 Cb 0.16 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 2jfb n LEU 140 CO 0.04 0.01 0.07 -0.63 -1.33 0.00 0.00 177.39 175.55 2jfb s ILE 141 N -3.17 5.20 0.08 -0.08 -1.09 -1.23 -4.96 121.20 115.95 2jfb s ILE 141 Ca 0.05 0.61 -0.17 0.00 -2.23 0.00 0.00 60.65 58.92 2jfb s ILE 141 Cb 0.14 -3.70 -0.05 0.00 -1.58 0.00 0.00 42.46 37.27 2jfb s ILE 141 CO 0.76 0.21 1.29 -0.08 -1.23 0.00 0.00 174.94 175.89 2jfb h GLU 142 N 7.75 -0.11 -0.47 2.79 4.81 -1.97 -2.86 114.58 124.52 2jfb h GLU 142 Ca -0.34 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 58.72 2jfb h GLU 142 Cb 1.16 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 30.46 2jfb h GLU 142 CO 0.68 -0.07 0.10 0.41 -0.73 0.00 0.00 179.01 179.39 2jfb n GLY 143 N -1.17 4.40 3.09 1.92 0.00 -1.26 -4.96 105.19 107.21 2jfb n GLY 143 Ca -0.01 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.10 2.75 4.04 1.61 2.20 -1.08 -5.08 119.74 121.09 2jfb s LYS 144 Ca 0.47 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 2jfb s LYS 144 Cb 0.40 -2.38 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 2jfb s LYS 144 CO 0.06 -0.18 0.00 -1.33 -0.36 0.00 0.00 175.35 173.54 2jfb n MET 145 N 4.57 0.00 -3.93 4.03 2.81 -1.26 -4.69 117.12 118.65 2jfb n MET 145 Ca -0.20 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.60 2jfb n MET 145 Cb 0.50 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.99 2jfb n MET 145 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 2jfb s HIS 146 N 0.00 0.26 -0.41 2.03 -3.43 -1.25 -4.98 115.29 107.51 2jfb s HIS 146 Ca 0.00 -0.71 -0.29 0.00 -0.80 0.00 0.00 55.06 53.26 2jfb s HIS 146 Cb 0.00 0.46 0.02 0.00 -1.43 0.00 0.00 32.58 31.63 2jfb s HIS 146 CO 0.00 -1.24 1.15 1.21 -2.00 0.00 0.00 174.74 173.87 2jfb s ASN 147 N -3.04 6.71 0.54 7.38 3.84 -1.26 -3.60 114.94 125.51 2jfb s ASN 147 Ca 0.19 0.74 0.30 0.00 0.21 0.00 0.00 52.86 54.30 2jfb s ASN 147 Cb -0.03 -2.55 1.55 0.00 -0.55 0.00 0.00 41.25 39.67 2jfb s ASN 147 CO 0.11 -1.13 2.10 0.45 -2.79 0.00 0.00 177.10 175.83 2jfb h HIS 148 N 8.98 0.00 -0.81 0.43 3.86 -1.17 -2.83 115.15 123.62 2jfb h HIS 148 Ca -0.23 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.12 2jfb h HIS 148 Cb 1.07 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.45 2jfb h HIS 148 CO 0.92 0.09 0.40 0.78 0.86 0.00 0.00 177.93 180.99 2jfb h GLY 149 N 0.85 1.28 0.84 2.45 0.00 -1.79 -2.13 103.07 104.58 2jfb h GLY 149 Ca -0.00 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.12 2jfb h GLY 149 CO 0.01 -0.02 0.21 0.83 0.00 0.00 0.00 176.54 177.57 2jfb h GLU 150 N 0.60 0.42 -0.99 4.80 5.08 -1.57 -1.47 114.58 121.45 2jfb h GLU 150 Ca 0.43 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.83 2jfb h GLU 150 Cb 0.58 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 2jfb h GLU 150 CO -0.35 0.28 0.64 -0.44 -1.00 0.00 0.00 179.01 178.14 2jfb h ASP 151 N 0.43 1.02 0.10 1.42 3.32 -1.55 -0.87 116.42 120.29 2jfb h ASP 151 Ca 0.17 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 2jfb h ASP 151 Cb 0.05 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2jfb h ASP 151 CO -0.10 0.66 -0.23 -0.50 -1.72 0.00 0.00 179.24 177.34 2jfb h TRP 152 N 1.16 0.26 -0.07 4.55 6.55 -0.90 -0.47 115.95 127.04 2jfb h TRP 152 Ca 0.42 -0.04 -0.01 0.00 0.95 0.00 0.00 58.89 60.21 2jfb h TRP 152 Cb 0.14 -0.07 -0.00 0.00 -0.86 0.00 0.00 29.16 28.37 2jfb h TRP 152 CO -0.01 0.47 0.00 0.78 -1.05 0.00 0.00 178.44 178.63 2jfb h GLY 153 N 0.93 0.13 1.01 1.49 0.00 -0.19 -2.45 103.07 104.00 2jfb h GLY 153 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2jfb h GLY 153 CO 0.04 0.09 0.50 0.00 0.00 0.00 0.00 176.54 177.17 2jfb h ALA 154 N 0.73 1.00 -0.33 3.60 0.00 -0.94 -2.93 119.26 120.40 2jfb h ALA 154 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jfb h ALA 154 Cb 0.33 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2jfb h ALA 154 CO 0.00 0.44 0.18 0.00 0.00 0.00 0.00 179.25 179.87 2jfb h ALA 155 N 1.27 0.42 -0.51 0.00 0.00 -1.09 -2.35 119.26 117.00 2jfb h ALA 155 Ca 0.29 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2jfb h ALA 155 Cb -0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 2jfb h ALA 155 CO -0.06 -0.05 0.24 0.00 0.00 0.00 0.00 179.25 179.38 2jfb h ALA 156 N 1.04 0.65 -0.15 0.00 0.00 -1.27 -0.21 119.26 119.33 2jfb h ALA 156 Ca 0.11 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2jfb h ALA 156 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2jfb h ALA 156 CO -0.02 -0.13 0.05 0.28 0.00 0.00 0.00 179.25 179.43 2jfb h VAL 157 N 0.46 1.18 -0.12 0.00 2.07 -1.44 -2.61 116.25 115.80 2jfb h VAL 157 Ca 0.24 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 2jfb h VAL 157 Cb 0.18 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2jfb h VAL 157 CO -0.19 0.17 0.07 -0.08 0.02 0.00 0.00 177.57 177.56 2jfb h GLU 158 N 0.07 0.16 0.00 1.57 4.81 -1.13 -2.87 114.58 117.19 2jfb h GLU 158 Ca 0.05 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2jfb h GLU 158 Cb 0.23 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2jfb h GLU 158 CO -0.00 0.17 -0.17 0.52 -0.73 0.00 0.00 179.01 178.79 2jfb h MET 159 N 0.11 0.00 -0.00 1.92 2.86 -1.06 0.11 114.93 118.87 2jfb h MET 159 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2jfb h MET 159 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2jfb h MET 159 CO -0.01 0.17 -0.20 0.00 1.06 0.00 0.00 176.91 177.94 2jfb n ALA 160 N -2.35 2.84 0.00 6.32 0.00 -0.98 -4.52 120.51 121.81 2jfb n ALA 160 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2jfb n ALA 160 Cb 0.27 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.41 0.00 -0.33 0.00 -1.04 -0.73 -4.80 114.28 105.96 2jfb n THR 161 Ca 0.08 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.25 2jfb n THR 161 Cb 0.33 -1.18 0.38 0.00 -1.82 0.00 0.00 70.33 68.05 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 0.62 -0.49 -2.82 3.64 -1.05 -2.36 116.57 114.10 2jfb h LYS 162 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2jfb h LYS 162 Cb 0.91 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2jfb h LYS 162 CO 0.00 0.41 0.00 1.19 -2.27 0.00 0.00 179.45 178.78 2jfb n PHE 163 N -4.73 1.20 0.00 1.91 3.01 -1.26 -5.14 117.46 112.44 2jfb n PHE 163 Ca 0.24 -0.66 0.00 0.00 1.01 0.00 0.00 57.45 58.04 2jfb n PHE 163 Cb 0.66 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 2jfb n PHE 163 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86