#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfb n TYR 13 N 0.00 -2.43 -3.36 5.58 0.53 -1.26 -5.02 117.16 111.19 2jfb n TYR 13 Ca 0.00 1.17 -0.40 0.00 -1.02 0.00 0.00 57.90 57.65 2jfb n TYR 13 Cb 0.00 -2.97 -0.09 0.00 -1.03 0.00 0.00 39.34 35.25 2jfb n TYR 13 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 2jfb s ASP 14 N -0.82 6.26 0.00 7.72 3.68 -1.26 -4.88 116.67 127.36 2jfb s ASP 14 Ca -0.04 0.16 0.16 0.00 2.13 0.00 0.00 52.55 54.96 2jfb s ASP 14 Cb 0.00 -2.22 0.40 0.00 -1.45 0.00 0.00 42.92 39.66 2jfb s ASP 14 CO 0.46 -0.26 1.32 0.61 0.13 0.00 0.00 175.17 177.44 2jfb n GLY 15 N 4.74 2.17 0.30 2.66 0.00 -0.23 -4.68 105.19 110.15 2jfb n GLY 15 Ca -0.08 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 3.15 0.00 -0.68 1.61 4.64 -1.71 -0.55 113.55 120.01 2jfb h SER 16 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jfb h SER 16 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2jfb h SER 16 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2jfb n LYS 17 N -4.30 2.67 -3.77 4.77 5.02 -1.26 -4.56 118.16 116.74 2jfb n LYS 17 Ca -0.00 -2.59 -0.35 0.00 -2.02 0.00 0.00 58.31 53.35 2jfb n LYS 17 Cb 0.20 -1.56 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.08 4.38 -0.20 -0.35 1.43 -0.22 -5.09 118.68 117.56 2jfb s LEU 18 Ca 0.48 0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 54.09 2jfb s LEU 18 Cb 0.25 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 2jfb s LEU 18 CO 0.33 0.27 -0.03 -0.60 0.23 0.00 0.00 176.35 176.55 2jfb s ARG 19 N -1.67 3.51 -0.12 1.70 3.52 -1.26 -4.65 118.95 119.98 2jfb s ARG 19 Ca 0.26 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.30 2jfb s ARG 19 Cb -0.13 -3.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.25 2jfb s ARG 19 CO 0.15 -0.03 -0.17 0.42 -0.81 0.00 0.00 175.30 174.86 2jfb s ILE 20 N 1.08 2.65 -0.08 4.11 -1.09 0.10 -0.51 121.20 127.47 2jfb s ILE 20 Ca 0.02 -0.80 -0.11 0.00 -2.23 0.00 0.00 60.65 57.53 2jfb s ILE 20 Cb -0.15 -2.09 -0.05 0.00 -1.58 0.00 0.00 42.46 38.60 2jfb s ILE 20 CO 0.01 0.53 0.26 -0.83 -1.23 0.00 0.00 174.94 173.68 2jfb s GLY 21 N 0.42 2.29 -0.20 6.18 0.00 -0.35 -1.05 107.32 114.62 2jfb s GLY 21 Ca -0.13 -0.45 0.01 0.00 0.00 0.00 0.00 44.72 44.15 2jfb s GLY 21 CO 0.06 -0.08 -0.14 -0.42 0.00 0.00 0.00 173.10 172.52 2jfb s ILE 22 N -0.90 1.84 -0.28 0.90 1.01 0.93 -0.28 121.20 124.42 2jfb s ILE 22 Ca 0.19 -1.05 -0.06 0.00 0.00 0.00 0.00 60.65 59.72 2jfb s ILE 22 Cb -0.14 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.51 2jfb s ILE 22 CO 0.08 0.27 0.06 -0.22 0.00 0.00 0.00 174.94 175.13 2jfb s LEU 23 N 1.33 3.70 0.07 2.97 2.96 -0.96 -1.38 118.68 127.38 2jfb s LEU 23 Ca -0.00 -0.66 0.09 0.00 -0.22 0.00 0.00 54.13 53.34 2jfb s LEU 23 Cb -0.16 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 2jfb s LEU 23 CO -0.09 -0.16 -0.23 -1.38 -1.32 0.00 0.00 176.35 173.16 2jfb s HIS 24 N 1.50 2.41 0.80 5.38 -3.43 -0.66 0.35 115.29 121.63 2jfb s HIS 24 Ca 0.03 -0.34 -0.11 0.00 -0.80 0.00 0.00 55.06 53.83 2jfb s HIS 24 Cb -0.17 -1.38 0.07 0.00 -1.43 0.00 0.00 32.58 29.68 2jfb s HIS 24 CO 0.02 0.23 1.09 0.00 -2.00 0.00 0.00 174.74 174.08 2jfb s ALA 25 N -0.93 2.16 -1.51 -1.38 0.00 -0.12 -1.47 121.76 118.52 2jfb s ALA 25 Ca 0.14 -0.10 0.17 0.00 0.00 0.00 0.00 51.96 52.16 2jfb s ALA 25 Cb -0.10 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 2jfb s ALA 25 CO 0.05 -1.79 0.87 0.54 0.00 0.00 0.00 175.76 175.42 2jfb n ARG 26 N -3.49 1.64 -2.29 0.00 1.74 -0.77 -4.83 116.66 108.65 2jfb n ARG 26 Ca 0.07 -0.82 -0.39 0.00 -0.77 0.00 0.00 57.85 55.95 2jfb n ARG 26 Cb 0.55 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.46 30.68 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 -1.95 3.13 -1.32 -1.55 0.52 -1.21 -3.54 118.94 113.03 2jfb s TRP 27 Ca 0.14 1.55 -0.02 0.00 0.02 0.00 0.00 56.10 57.79 2jfb s TRP 27 Cb 0.13 -3.42 -0.00 0.00 -1.15 0.00 0.00 33.47 29.03 2jfb s TRP 27 CO 0.42 -1.30 0.62 0.09 0.02 0.00 0.00 176.95 176.80 2jfb n ASN 28 N 0.32 -1.40 -0.30 2.95 3.02 -1.26 -4.62 115.26 113.97 2jfb n ASN 28 Ca 0.03 -0.90 0.08 0.00 -0.03 0.00 0.00 54.58 53.76 2jfb n ASN 28 Cb 0.46 -3.68 0.30 0.00 -0.61 0.00 0.00 39.78 36.25 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 -1.84 0.84 -0.40 3.52 9.65 -1.91 -1.81 114.38 122.43 2jfb h ARG 29 Ca -0.62 -0.05 0.07 0.00 -1.10 0.00 0.00 59.98 58.28 2jfb h ARG 29 Cb 1.36 -0.19 -0.07 0.00 -1.39 0.00 0.00 29.97 29.69 2jfb h ARG 29 CO 0.57 0.56 -0.00 -0.22 2.80 0.00 0.00 179.97 183.67 2jfb h LYS 30 N 0.87 0.10 -0.21 0.20 3.64 -1.92 0.16 116.57 119.40 2jfb h LYS 30 Ca 0.44 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.62 2jfb h LYS 30 Cb 0.49 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2jfb h LYS 30 CO -0.20 0.06 -0.62 0.82 -2.27 0.00 0.00 179.45 177.24 2jfb h ILE 31 N 0.10 1.29 -0.09 2.00 2.04 -1.75 -3.14 117.51 117.95 2jfb h ILE 31 Ca 0.20 -1.82 0.04 0.00 1.00 0.00 0.00 64.86 64.28 2jfb h ILE 31 Cb 0.28 1.83 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 2jfb h ILE 31 CO -0.33 0.58 -0.18 0.40 0.00 0.00 0.00 178.15 178.62 2jfb h ILE 32 N 0.54 0.55 -0.29 -0.67 1.08 -0.85 -1.96 117.51 115.91 2jfb h ILE 32 Ca -0.02 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.46 2jfb h ILE 32 Cb 1.24 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 2jfb h ILE 32 CO 0.13 0.00 0.20 0.44 -0.69 0.00 0.00 178.15 178.23 2jfb h ASP 33 N -0.25 0.31 -0.25 1.72 3.32 -0.76 0.23 116.42 120.74 2jfb h ASP 33 Ca 0.08 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 2jfb h ASP 33 Cb 0.37 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2jfb h ASP 33 CO -0.23 0.22 -0.32 0.00 -1.72 0.00 0.00 179.24 177.19 2jfb h ALA 34 N 1.82 0.38 -0.38 3.45 0.00 -1.43 -2.26 119.26 120.84 2jfb h ALA 34 Ca 0.11 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2jfb h ALA 34 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2jfb h ALA 34 CO -0.02 0.42 0.02 -0.07 0.00 0.00 0.00 179.25 179.60 2jfb h LEU 35 N 0.38 0.64 -0.19 0.00 3.38 -0.58 -1.34 115.31 117.60 2jfb h LEU 35 Ca 0.03 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2jfb h LEU 35 Cb 0.90 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2jfb h LEU 35 CO 0.08 0.77 0.10 0.58 0.09 0.00 0.00 178.44 180.06 2jfb h VAL 36 N 0.49 1.12 -0.92 1.22 2.07 -1.05 -0.69 116.25 118.49 2jfb h VAL 36 Ca 0.11 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.33 2jfb h VAL 36 Cb 0.43 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 2jfb h VAL 36 CO 0.01 0.12 0.60 0.00 0.02 0.00 0.00 177.57 178.32 2jfb h ALA 37 N 0.97 1.23 -0.64 1.67 0.00 -1.35 0.17 119.26 121.31 2jfb h ALA 37 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2jfb h ALA 37 Cb 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2jfb h ALA 37 CO -0.01 0.44 0.30 0.78 0.00 0.00 0.00 179.25 180.77 2jfb h GLY 38 N 1.14 0.99 1.06 0.00 0.00 -0.95 -0.67 103.07 104.64 2jfb h GLY 38 Ca 0.37 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 2jfb h GLY 38 CO -0.13 0.47 -0.24 0.00 0.00 0.00 0.00 176.54 176.64 2jfb h ALA 39 N 1.14 0.59 -0.20 3.60 0.00 -0.45 -2.54 119.26 121.38 2jfb h ALA 39 Ca 0.22 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jfb h ALA 39 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jfb h ALA 39 CO -0.03 0.59 0.13 0.28 0.00 0.00 0.00 179.25 180.22 2jfb h VAL 40 N 0.72 1.06 -0.47 0.00 2.07 -0.58 -2.09 116.25 116.97 2jfb h VAL 40 Ca 0.09 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.50 2jfb h VAL 40 Cb 0.81 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2jfb h VAL 40 CO 0.07 0.06 0.25 0.50 0.02 0.00 0.00 177.57 178.47 2jfb h LYS 41 N 0.27 0.48 -0.28 1.57 3.64 -1.07 -2.70 116.57 118.47 2jfb h LYS 41 Ca 0.07 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 2jfb h LYS 41 Cb -0.01 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2jfb h LYS 41 CO -0.02 0.32 -0.31 -0.09 -2.27 0.00 0.00 179.45 177.09 2jfb h ARG 42 N 0.49 0.70 -0.57 1.90 9.65 -1.41 -2.77 114.38 122.38 2jfb h ARG 42 Ca 0.20 -0.38 0.11 0.00 -1.10 0.00 0.00 59.98 58.81 2jfb h ARG 42 Cb 0.08 0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 28.56 2jfb h ARG 42 CO -0.12 1.00 -0.23 -0.07 2.80 0.00 0.00 179.97 183.35 2jfb h LEU 43 N 0.44 -0.81 -1.12 3.80 4.07 -1.26 -1.84 115.31 118.60 2jfb h LEU 43 Ca 0.04 0.20 -0.07 0.00 0.08 0.00 0.00 57.88 58.13 2jfb h LEU 43 Cb 0.88 0.45 -0.02 0.00 1.08 0.00 0.00 40.66 43.05 2jfb h LEU 43 CO 0.07 -0.25 -0.11 1.56 -1.08 0.00 0.00 178.44 178.63 2jfb h GLN 44 N -0.09 0.49 0.00 1.13 4.20 -1.42 -1.43 115.11 117.99 2jfb h GLN 44 Ca 0.26 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2jfb h GLN 44 Cb 0.49 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 2jfb h GLN 44 CO -0.63 0.60 -0.01 0.93 -0.67 0.00 0.00 178.83 179.05 2jfb h GLU 45 N 0.46 0.00 -0.60 1.46 5.08 -1.06 -1.07 114.58 118.85 2jfb h GLU 45 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2jfb h GLU 45 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2jfb h GLU 45 CO 0.03 0.01 0.00 1.19 -1.00 0.00 0.00 179.01 179.24 2jfb n PHE 46 N -3.12 1.01 -0.27 4.33 3.01 -0.59 -4.93 117.46 116.90 2jfb n PHE 46 Ca -0.01 -0.42 0.00 0.00 1.01 0.00 0.00 57.45 58.04 2jfb n PHE 46 Cb 0.24 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 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 1.00 1.38 3.67 1.37 0.00 -0.40 -1.07 105.19 111.14 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 -2.88 3.30 0.48 1.61 1.01 -0.91 -3.65 120.40 119.35 2jfb s VAL 48 Ca 0.00 0.45 -0.23 0.00 0.00 0.00 0.00 61.98 62.21 2jfb s VAL 48 Cb 0.00 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 2jfb s VAL 48 CO 0.00 -0.03 1.19 -0.54 0.00 0.00 0.00 175.10 175.72 2jfb s LYS 49 N 3.90 3.65 0.33 2.72 1.02 -1.26 -3.96 119.74 126.14 2jfb s LYS 49 Ca 0.78 1.83 0.05 0.00 0.02 0.00 0.00 55.97 58.65 2jfb s LYS 49 Cb -0.37 -2.37 0.59 0.00 -0.52 0.00 0.00 37.83 35.16 2jfb s LYS 49 CO 0.34 -0.66 1.85 1.49 -0.92 0.00 0.00 175.35 177.45 2jfb h GLU 50 N 1.93 0.47 0.00 1.68 4.81 -1.95 -0.58 114.58 120.94 2jfb h GLU 50 Ca -0.50 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 2jfb h GLU 50 Cb 1.26 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2jfb h GLU 50 CO 0.60 0.56 0.00 0.39 -0.73 0.00 0.00 179.01 179.82 2jfb n GLU 51 N -4.24 0.09 -0.27 1.92 4.71 -1.26 -2.48 120.64 119.11 2jfb n GLU 51 Ca 0.01 0.37 0.08 0.00 -0.01 0.00 0.00 57.16 57.61 2jfb n GLU 51 Cb 0.28 -1.68 0.23 0.00 -1.01 0.00 0.00 31.44 29.26 2jfb n GLU 51 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2jfb n ASN 52 N -1.86 3.41 -4.26 1.62 3.02 -0.23 -4.79 115.26 112.17 2jfb n ASN 52 Ca 0.02 -2.03 -0.39 0.00 -0.03 0.00 0.00 54.58 52.15 2jfb n ASN 52 Cb 0.17 -0.35 -0.11 0.00 -0.61 0.00 0.00 39.78 38.88 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 -1.06 4.04 -0.21 2.41 1.01 -1.03 0.03 121.20 126.40 2jfb s ILE 53 Ca 0.35 -1.37 -0.10 0.00 0.00 0.00 0.00 60.65 59.53 2jfb s ILE 53 Cb 0.18 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 2jfb s ILE 53 CO 0.23 -0.43 0.13 -0.63 0.00 0.00 0.00 174.94 174.24 2jfb s ILE 54 N 1.40 5.32 -0.13 2.92 -1.09 -0.22 -4.99 121.20 124.41 2jfb s ILE 54 Ca 0.02 0.16 -0.00 0.00 -2.23 0.00 0.00 60.65 58.60 2jfb s ILE 54 Cb -0.22 -3.44 -0.01 0.00 -1.58 0.00 0.00 42.46 37.21 2jfb s ILE 54 CO 0.02 0.42 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.39 2jfb s ILE 55 N 0.55 3.07 0.05 2.92 -1.09 -1.26 -0.05 121.20 125.39 2jfb s ILE 55 Ca 0.07 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 2jfb s ILE 55 Cb -0.12 -2.29 -0.03 0.00 -1.58 0.00 0.00 42.46 38.43 2jfb s ILE 55 CO -0.00 0.52 -0.04 -0.70 -1.23 0.00 0.00 174.94 173.48 2jfb s GLU 56 N 0.39 0.59 0.22 2.79 2.56 -0.48 -4.99 118.70 119.78 2jfb s GLU 56 Ca -0.10 -1.06 0.11 0.00 0.00 0.00 0.00 54.97 53.91 2jfb s GLU 56 Cb -0.16 0.02 -0.04 0.00 2.00 0.00 0.00 34.13 35.95 2jfb s GLU 56 CO 0.05 -0.05 -0.16 0.95 -0.56 0.00 0.00 175.26 175.49 2jfb s THR 57 N -3.02 2.78 0.12 -1.70 -4.23 -1.26 -1.65 115.64 106.67 2jfb s THR 57 Ca 0.01 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 2jfb s THR 57 Cb 0.01 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 2jfb s THR 57 CO -0.06 -0.21 -0.08 0.68 -0.54 0.00 0.00 174.62 174.41 2jfb s VAL 58 N -1.95 0.91 0.10 2.29 -7.23 -0.54 -4.91 120.40 109.06 2jfb s VAL 58 Ca 0.25 -1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 58.13 2jfb s VAL 58 Cb -0.07 -1.75 -0.13 0.00 0.56 0.00 0.00 36.38 34.99 2jfb s VAL 58 CO 0.14 -0.81 1.61 -0.65 -0.31 0.00 0.00 175.10 175.08 2jfb h PRO 59 N 2.90 -0.70 -4.50 4.82 0.11 -1.95 -2.06 132.00 130.62 2jfb h PRO 59 Ca -0.36 0.05 -0.37 0.00 0.11 0.00 0.00 66.00 65.43 2jfb h PRO 59 Cb 1.18 0.16 -0.10 0.00 0.11 0.00 0.00 31.00 32.34 2jfb h PRO 59 CO 0.64 -0.46 -0.33 0.20 -0.21 0.00 0.00 178.00 177.83 2jfb s GLY 60 N -2.26 1.91 0.45 -0.55 0.00 -1.26 -2.22 107.32 103.39 2jfb s GLY 60 Ca -0.17 -1.80 0.17 0.00 0.00 0.00 0.00 44.72 42.93 2jfb s GLY 60 CO 0.63 -1.23 1.98 1.76 0.00 0.00 0.00 173.10 176.24 2jfb h SER 61 N 2.12 0.00 0.29 1.64 0.02 -1.93 -1.47 113.55 114.22 2jfb h SER 61 Ca -0.27 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.65 2jfb h SER 61 Cb 1.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 2jfb h SER 61 CO 0.38 0.20 -0.13 0.15 -1.14 0.00 0.00 176.83 176.28 2jfb h PHE 62 N 0.00 0.00 0.00 3.45 3.57 -1.97 -2.31 116.94 119.68 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 0.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.13 2jfb h PHE 62 CO 0.00 0.13 -0.30 0.39 -2.23 0.00 0.00 178.31 176.30 2jfb n GLU 63 N -3.84 0.08 -0.01 1.11 4.71 -0.56 -4.31 120.64 117.82 2jfb n GLU 63 Ca -0.02 0.04 -0.10 0.00 -0.01 0.00 0.00 57.16 57.07 2jfb n GLU 63 Cb 0.23 -1.57 -0.04 0.00 -1.01 0.00 0.00 31.44 29.05 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 -0.07 0.38 -4.62 3.38 -1.40 0.46 115.31 113.45 2jfb h LEU 64 Ca 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2jfb h LEU 64 Cb 0.57 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2jfb h LEU 64 CO 0.00 -0.01 -0.18 -0.65 0.09 0.00 0.00 178.44 177.68 2jfb h PRO 65 N 0.04 -0.50 -0.07 1.13 0.11 -1.76 0.32 132.00 131.27 2jfb h PRO 65 Ca 0.06 0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.06 2jfb h PRO 65 Cb 0.08 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 2jfb h PRO 65 CO -0.11 -0.29 -0.58 -0.92 -0.21 0.00 0.00 178.00 175.88 2jfb h TYR 66 N -0.58 0.30 -0.99 0.65 3.20 -1.83 -2.59 116.97 115.13 2jfb h TYR 66 Ca -0.05 -0.11 0.05 0.00 3.14 0.00 0.00 58.73 61.76 2jfb h TYR 66 Cb 0.43 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 2jfb h TYR 66 CO -0.03 0.76 0.65 0.78 -1.64 0.00 0.00 178.16 178.68 2jfb h GLY 67 N 1.45 1.48 0.97 1.82 0.00 -0.82 -1.75 103.07 106.23 2jfb h GLY 67 Ca -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 2jfb h GLY 67 CO 0.09 0.37 0.22 1.76 0.00 0.00 0.00 176.54 178.98 2jfb h SER 68 N 1.20 0.59 0.07 0.19 0.02 -0.54 0.18 113.55 115.25 2jfb h SER 68 Ca 0.42 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2jfb h SER 68 Cb 0.11 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2jfb h SER 68 CO -0.15 0.54 -0.03 0.50 -1.14 0.00 0.00 176.83 176.55 2jfb h LYS 69 N 0.59 -0.09 -0.73 3.45 3.64 -1.26 0.49 116.57 122.66 2jfb h LYS 69 Ca 0.16 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2jfb h LYS 69 Cb 0.11 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 2jfb h LYS 69 CO -0.02 -0.03 0.45 -0.07 -2.27 0.00 0.00 179.45 177.51 2jfb h LEU 70 N -0.12 0.86 -0.24 5.20 3.38 -1.13 0.31 115.31 123.57 2jfb h LEU 70 Ca -0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2jfb h LEU 70 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2jfb h LEU 70 CO 0.02 0.66 0.07 0.15 0.09 0.00 0.00 178.44 179.42 2jfb h PHE 71 N 1.00 0.39 -0.31 1.13 3.57 -0.45 -1.47 116.94 120.80 2jfb h PHE 71 Ca 0.26 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 2jfb h PHE 71 Cb -0.05 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2jfb h PHE 71 CO 0.00 0.45 0.19 0.28 -2.23 0.00 0.00 178.31 177.00 2jfb h VAL 72 N 0.22 1.11 -0.76 1.41 2.07 -0.30 -2.34 116.25 117.65 2jfb h VAL 72 Ca 0.08 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 2jfb h VAL 72 Cb 0.24 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2jfb h VAL 72 CO -0.00 0.11 0.29 -0.33 0.02 0.00 0.00 177.57 177.65 2jfb h GLU 73 N 0.40 1.15 -0.42 1.57 4.39 -0.92 -2.07 114.58 118.68 2jfb h GLU 73 Ca 0.11 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2jfb h GLU 73 Cb 0.01 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 2jfb h GLU 73 CO -0.02 0.94 0.16 -0.22 -1.16 0.00 0.00 179.01 178.71 2jfb h LYS 74 N 1.11 0.62 -0.27 2.33 3.64 -1.17 -1.61 116.57 121.23 2jfb h LYS 74 Ca 0.25 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2jfb h LYS 74 Cb 0.24 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2jfb h LYS 74 CO -0.02 0.58 -0.01 1.96 -2.27 0.00 0.00 179.45 179.70 2jfb h GLN 75 N 0.53 0.41 -0.23 1.90 1.08 -1.17 0.19 115.11 117.82 2jfb h GLN 75 Ca 0.14 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2jfb h GLN 75 Cb 0.19 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2jfb h GLN 75 CO -0.01 0.45 0.06 0.87 -0.95 0.00 0.00 178.83 179.24 2jfb h LYS 76 N 0.40 0.37 0.00 1.46 1.57 -1.17 0.57 116.57 119.77 2jfb h LYS 76 Ca 0.09 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jfb h LYS 76 Cb 0.28 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2jfb h LYS 76 CO 0.01 0.48 0.00 0.00 -0.57 0.00 0.00 179.45 179.37 2jfb h ARG 77 N 0.19 0.00 0.00 3.15 3.08 -0.57 -2.10 114.38 118.14 2jfb h ARG 77 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2jfb h ARG 77 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2jfb h ARG 77 CO 0.00 0.00 -0.50 -0.11 -1.07 0.00 0.00 179.97 178.30 2jfb n LEU 78 N -2.79 0.65 0.00 3.04 7.94 0.61 -4.94 117.00 121.51 2jfb n LEU 78 Ca 0.00 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.16 2jfb n LEU 78 Cb 0.23 -0.23 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2jfb n LEU 78 CO 0.23 -0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.08 2jfb n GLY 79 N 1.37 0.57 2.41 -3.96 0.00 -0.79 -4.99 105.19 99.80 2jfb n GLY 79 Ca 0.04 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.84 1.75 -2.31 1.61 4.76 0.15 -5.02 118.16 116.26 2jfb n LYS 80 Ca 0.00 -4.13 -0.35 0.00 -2.87 0.00 0.00 58.31 50.96 2jfb n LYS 80 Cb 0.00 -1.92 -0.00 0.00 -1.84 0.00 0.00 35.03 31.27 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 -1.80 3.44 0.17 1.97 0.04 -1.20 -4.46 135.00 133.15 2jfb s PRO 81 Ca 0.36 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.80 2jfb s PRO 81 Cb 0.12 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 2jfb s PRO 81 CO -0.07 -0.77 0.63 -0.51 0.04 0.00 0.00 177.00 176.31 2jfb s LEU 82 N -3.73 4.37 -0.00 -3.56 1.43 -1.26 -4.71 118.68 111.20 2jfb s LEU 82 Ca 0.72 1.25 0.20 0.00 -1.03 0.00 0.00 54.13 55.27 2jfb s LEU 82 Cb -0.23 -3.36 -0.22 0.00 0.03 0.00 0.00 46.19 42.41 2jfb s LEU 82 CO 0.26 0.10 0.57 0.47 0.23 0.00 0.00 176.35 177.97 2jfb n ASP 83 N 0.89 0.32 -3.50 2.29 8.00 0.33 -4.99 116.55 119.89 2jfb n ASP 83 Ca -0.05 0.13 -0.14 0.00 0.71 0.00 0.00 54.79 55.45 2jfb n ASP 83 Cb 0.51 1.17 -0.04 0.00 -0.02 0.00 0.00 41.12 42.74 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 -3.17 -1.54 -0.02 2.24 0.00 -1.23 -4.16 121.76 113.87 2jfb s ALA 84 Ca -0.06 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.63 2jfb s ALA 84 Cb 0.11 0.52 -0.00 0.00 0.00 0.00 0.00 23.12 23.75 2jfb s ALA 84 CO 0.85 -0.59 -0.12 -1.50 0.00 0.00 0.00 175.76 174.41 2jfb s ILE 85 N -2.76 0.97 -0.56 0.00 2.07 -0.53 -1.21 121.20 119.17 2jfb s ILE 85 Ca -0.04 -0.48 -0.01 0.00 -1.41 0.00 0.00 60.65 58.71 2jfb s ILE 85 Cb -0.01 -0.84 0.15 0.00 0.13 0.00 0.00 42.46 41.89 2jfb s ILE 85 CO -0.04 0.29 0.36 -0.63 -1.91 0.00 0.00 174.94 173.00 2jfb s ILE 86 N 0.03 3.39 -0.03 2.00 1.01 0.61 -1.37 121.20 126.84 2jfb s ILE 86 Ca -0.01 -2.86 -0.30 0.00 0.00 0.00 0.00 60.65 57.48 2jfb s ILE 86 Cb -0.08 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 2jfb s ILE 86 CO 0.01 -0.82 1.50 -2.16 0.00 0.00 0.00 174.94 173.46 2jfb s PRO 87 N 0.12 4.23 -0.15 2.79 0.04 -1.24 -2.26 135.00 138.54 2jfb s PRO 87 Ca 0.15 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.24 2jfb s PRO 87 Cb -0.22 -3.74 -0.00 0.00 0.04 0.00 0.00 34.50 30.58 2jfb s PRO 87 CO -0.03 -0.70 -0.16 0.42 0.04 0.00 0.00 177.00 176.57 2jfb s ILE 88 N 3.13 2.65 0.05 0.56 1.01 0.15 -1.73 121.20 127.02 2jfb s ILE 88 Ca 0.67 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 60.43 2jfb s ILE 88 Cb -0.32 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.06 2jfb s ILE 88 CO 0.26 0.52 0.23 -0.83 0.00 0.00 0.00 174.94 175.12 2jfb s GLY 89 N 0.71 -0.00 -0.18 6.18 0.00 -0.30 -0.95 107.32 112.78 2jfb s GLY 89 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.38 2jfb s GLY 89 CO 0.01 -0.46 -0.07 0.14 0.00 0.00 0.00 173.10 172.72 2jfb s VAL 90 N -2.84 1.32 -0.15 1.40 1.01 -1.26 -0.74 120.40 119.14 2jfb s VAL 90 Ca -0.03 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 2jfb s VAL 90 Cb 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 2jfb s VAL 90 CO -0.05 0.16 -0.13 -0.76 0.00 0.00 0.00 175.10 174.32 2jfb s LEU 91 N 1.54 2.64 -0.09 3.92 1.43 0.38 -4.79 118.68 123.72 2jfb s LEU 91 Ca 0.00 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 2jfb s LEU 91 Cb -0.15 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.46 2jfb s LEU 91 CO -0.08 0.11 -0.19 -0.63 0.23 0.00 0.00 176.35 175.79 2jfb s ILE 92 N 0.68 1.67 0.12 -0.59 1.01 -1.26 -0.91 121.20 121.92 2jfb s ILE 92 Ca -0.06 -0.79 -0.36 0.00 0.00 0.00 0.00 60.65 59.44 2jfb s ILE 92 Cb -0.15 -1.47 -0.16 0.00 0.01 0.00 0.00 42.46 40.69 2jfb s ILE 92 CO 0.02 0.47 1.44 1.17 0.00 0.00 0.00 174.94 178.04 2jfb n LYS 93 N 3.65 1.57 0.00 2.79 3.00 -0.44 -4.87 118.16 123.85 2jfb n LYS 93 Ca -0.21 0.56 0.00 0.00 -0.00 0.00 0.00 58.31 58.67 2jfb n LYS 93 Cb 0.52 -2.26 0.00 0.00 0.00 0.00 0.00 35.03 33.29 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 2.90 3.71 0.07 3.14 0.00 -1.26 -4.85 105.19 108.90 2jfb n GLY 94 Ca 0.18 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.51 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 0.50 -2.70 1.61 7.64 -1.26 -4.96 113.62 114.44 2jfb n SER 95 Ca 0.00 0.20 -0.05 0.00 1.01 0.00 0.00 58.87 60.03 2jfb n SER 95 Cb 0.00 0.94 0.01 0.00 -1.01 0.00 0.00 64.21 64.16 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 -2.59 0.00 0.28 0.44 -2.24 -1.26 -5.02 114.28 103.89 2jfb n THR 96 Ca -0.06 -0.48 0.10 0.00 -2.27 0.00 0.00 64.05 61.33 2jfb n THR 96 Cb 0.67 -0.75 0.26 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.17 2.32 -0.22 -0.78 0.00 -1.26 -4.39 117.12 111.61 2jfb n MET 97 Ca 0.03 -2.03 0.03 0.00 0.00 0.00 0.00 57.70 55.72 2jfb n MET 97 Cb 0.15 -1.46 0.14 0.00 0.00 0.00 0.00 33.22 32.05 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 3.49 0.29 -0.33 2.03 -0.00 -1.98 -2.04 115.15 116.63 2jfb h HIS 98 Ca 0.00 0.04 0.07 0.00 -0.00 0.00 0.00 60.37 60.48 2jfb h HIS 98 Cb 0.79 -0.03 -0.08 0.00 -0.00 0.00 0.00 27.41 28.09 2jfb h HIS 98 CO 0.34 -0.01 -0.31 0.35 -0.00 0.00 0.00 177.93 178.29 2jfb h PHE 99 N 0.31 -0.87 -0.85 5.26 3.57 -1.90 -1.67 116.94 120.79 2jfb h PHE 99 Ca 0.36 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.88 2jfb h PHE 99 Cb 0.55 0.43 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 2jfb h PHE 99 CO -0.23 -0.38 0.44 0.93 -2.23 0.00 0.00 178.31 176.84 2jfb h GLU 100 N -0.28 1.21 0.00 1.11 3.07 -1.69 -1.25 114.58 116.75 2jfb h GLU 100 Ca 0.15 -0.16 -0.21 0.00 -0.50 0.00 0.00 59.36 58.64 2jfb h GLU 100 Cb 0.53 -0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 2jfb h GLU 100 CO -0.48 0.91 -1.14 1.88 -1.40 0.00 0.00 179.01 178.78 2jfb h TYR 101 N 1.21 0.00 -0.11 4.33 0.05 -1.35 -2.34 116.97 118.76 2jfb h TYR 101 Ca 0.30 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.98 2jfb h TYR 101 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 2jfb h TYR 101 CO 0.01 0.91 -0.32 0.82 -1.05 0.00 0.00 178.16 178.53 2jfb h ILE 102 N 0.00 1.39 -0.34 -2.88 1.08 -1.25 -2.95 117.51 112.56 2jfb h ILE 102 Ca -0.09 -1.65 0.06 0.00 -0.39 0.00 0.00 64.86 62.79 2jfb h ILE 102 Cb 1.77 2.17 -0.05 0.00 -3.07 0.00 0.00 36.82 37.63 2jfb h ILE 102 CO 0.10 0.49 0.02 0.00 -0.69 0.00 0.00 178.15 178.07 2jfb h ASP 104 N 0.12 0.13 0.27 0.00 3.58 -1.50 -1.46 116.42 117.57 2jfb h ASP 104 Ca 0.16 -0.34 -0.15 0.00 0.42 0.00 0.00 57.03 57.13 2jfb h ASP 104 Cb 0.22 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2jfb h ASP 104 CO -0.26 0.44 -0.58 0.77 -2.88 0.00 0.00 179.24 176.72 2jfb h SER 105 N -0.17 0.36 -0.14 2.28 4.64 -1.52 -2.72 113.55 116.27 2jfb h SER 105 Ca 0.02 -0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 2jfb h SER 105 Cb 0.37 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2jfb h SER 105 CO 0.01 0.86 -0.03 0.74 -0.87 0.00 0.00 176.83 177.54 2jfb h THR 106 N 0.24 1.28 0.01 2.95 2.02 -1.28 -2.57 112.91 115.56 2jfb h THR 106 Ca -0.00 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.22 2jfb h THR 106 Cb 1.09 1.63 -0.00 0.00 -1.74 0.00 0.00 68.15 69.13 2jfb h THR 106 CO 0.10 0.28 -0.01 0.74 0.37 0.00 0.00 175.52 176.99 2jfb h THR 107 N -0.03 0.96 -0.72 3.16 2.02 -1.24 -0.93 112.91 116.12 2jfb h THR 107 Ca 0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 2jfb h THR 107 Cb 0.44 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 2jfb h THR 107 CO 0.01 0.00 0.44 0.45 0.37 0.00 0.00 175.52 176.80 2jfb h HIS 108 N -0.03 0.95 -0.49 3.16 3.86 -1.56 -1.24 115.15 119.80 2jfb h HIS 108 Ca 0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.09 2jfb h HIS 108 Cb 0.03 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 2jfb h HIS 108 CO -0.09 0.63 -0.21 1.96 0.86 0.00 0.00 177.93 181.08 2jfb h GLN 109 N 0.98 0.99 -0.37 2.45 1.08 -1.31 -1.32 115.11 117.61 2jfb h GLN 109 Ca 0.26 -0.42 -0.07 0.00 -1.45 0.00 0.00 58.65 56.97 2jfb h GLN 109 Cb -0.05 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 2jfb h GLN 109 CO -0.05 1.10 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.78 2jfb h LEU 110 N 0.86 0.59 0.32 1.46 3.38 -0.99 0.66 115.31 121.60 2jfb h LEU 110 Ca 0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2jfb h LEU 110 Cb 0.78 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2jfb h LEU 110 CO 0.07 0.72 -0.16 -0.03 0.09 0.00 0.00 178.44 179.12 2jfb h MET 111 N 0.57 -0.42 0.00 1.13 4.05 -1.05 -3.02 114.93 116.18 2jfb h MET 111 Ca 0.11 0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.53 2jfb h MET 111 Cb 0.48 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.37 2jfb h MET 111 CO 0.03 -0.23 -0.12 0.87 0.23 0.00 0.00 176.91 177.68 2jfb h LYS 112 N -0.51 0.00 0.00 0.39 1.57 -1.02 -2.82 116.57 114.18 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 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 2jfb h LYS 112 CO 0.07 0.12 -0.14 1.25 -0.57 0.00 0.00 179.45 180.19 2jfb h LEU 113 N 0.00 0.00 -0.51 2.94 5.85 -0.73 -1.80 115.31 121.06 2jfb h LEU 113 Ca -0.00 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.80 2jfb h LEU 113 Cb 0.31 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 2jfb h LEU 113 CO 0.02 0.14 0.12 0.78 -0.34 0.00 0.00 178.44 179.15 2jfb h ASN 114 N 0.00 0.03 0.65 1.25 2.35 -1.54 -1.60 115.58 116.72 2jfb h ASN 114 Ca -0.00 0.09 -0.27 0.00 -0.55 0.00 0.00 56.30 55.56 2jfb h ASN 114 Cb 0.32 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 2jfb h ASN 114 CO 0.02 0.04 -1.30 -0.26 -1.65 0.00 0.00 177.43 174.28 2jfb h PHE 115 N 0.26 0.35 -0.21 1.19 -1.00 -1.54 -2.43 116.94 113.57 2jfb h PHE 115 Ca 0.26 -0.26 -0.15 0.00 2.81 0.00 0.00 57.97 60.63 2jfb h PHE 115 Cb 0.34 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.89 2jfb h PHE 115 CO -0.22 1.24 -0.44 0.93 -1.61 0.00 0.00 178.31 178.21 2jfb h GLU 116 N 0.05 0.67 0.00 1.51 5.08 -1.38 -3.28 114.58 117.23 2jfb h GLU 116 Ca -0.15 -0.44 -0.03 0.00 -1.00 0.00 0.00 59.36 57.75 2jfb h GLU 116 Cb 1.95 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.25 2jfb h GLU 116 CO 0.17 1.06 -0.66 -0.07 -1.00 0.00 0.00 179.01 178.50 2jfb h LEU 117 N 0.36 0.00 0.26 1.33 3.38 -1.41 -3.48 115.31 115.75 2jfb h LEU 117 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2jfb h LEU 117 Cb 1.05 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 2jfb h LEU 117 CO 0.10 0.11 -0.10 0.61 0.09 0.00 0.00 178.44 179.25 2jfb n GLY 118 N 1.18 0.79 3.12 0.83 0.00 -0.92 -5.03 105.19 105.16 2jfb n GLY 118 Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.15 0.67 0.06 -0.61 -4.36 -1.21 -5.05 121.20 108.55 2jfb s ILE 119 Ca 0.00 -1.42 -0.33 0.00 -0.26 0.00 0.00 60.65 58.64 2jfb s ILE 119 Cb 0.00 -1.05 -0.12 0.00 1.25 0.00 0.00 42.46 42.54 2jfb s ILE 119 CO 0.00 -0.54 1.77 -2.65 0.24 0.00 0.00 174.94 173.76 2jfb n PRO 120 N 0.89 2.36 -3.87 0.37 -0.02 -1.26 -4.44 135.00 129.02 2jfb n PRO 120 Ca -0.19 0.86 -0.36 0.00 -2.02 0.00 0.00 63.50 61.80 2jfb n PRO 120 Cb 0.57 -2.70 -0.13 0.00 -0.02 0.00 0.00 33.50 31.22 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 2.68 3.29 -0.18 -1.45 1.01 -1.26 -1.45 120.40 123.04 2jfb s VAL 121 Ca 0.85 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.64 2jfb s VAL 121 Cb -0.62 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2jfb s VAL 121 CO 0.43 0.06 0.41 -0.63 0.00 0.00 0.00 175.10 175.36 2jfb s ILE 122 N 1.36 5.21 -0.69 2.22 -1.09 -0.47 -4.88 121.20 122.86 2jfb s ILE 122 Ca -0.01 0.75 -0.26 0.00 -2.23 0.00 0.00 60.65 58.90 2jfb s ILE 122 Cb -0.18 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 36.91 2jfb s ILE 122 CO -0.01 0.28 2.05 0.12 -1.23 0.00 0.00 174.94 176.15 2jfb s PHE 123 N 1.08 1.53 -0.46 3.97 5.36 -1.26 -3.68 117.98 124.51 2jfb s PHE 123 Ca 0.20 1.03 0.04 0.00 -0.96 0.00 0.00 56.93 57.23 2jfb s PHE 123 Cb -0.15 -3.91 0.55 0.00 -0.34 0.00 0.00 43.02 39.18 2jfb s PHE 123 CO 0.08 -2.10 1.79 0.41 -1.46 0.00 0.00 175.22 173.94 2jfb n GLY 124 N 6.21 5.16 3.39 13.12 0.00 -0.71 -4.94 105.19 127.43 2jfb n GLY 124 Ca 0.32 -1.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 2jfb n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jfb s VAL 125 N -3.85 4.01 -0.03 1.61 1.01 -1.26 -1.15 120.40 120.75 2jfb s VAL 125 Ca 0.56 -0.33 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 2jfb s VAL 125 Cb 0.47 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2jfb s VAL 125 CO 0.04 0.33 0.73 -0.76 0.00 0.00 0.00 175.10 175.44 2jfb s LEU 126 N 1.56 4.37 -0.64 3.92 1.43 0.08 -4.95 118.68 124.45 2jfb s LEU 126 Ca 0.06 1.29 0.05 0.00 -1.03 0.00 0.00 54.13 54.50 2jfb s LEU 126 Cb -0.15 -3.15 0.16 0.00 0.03 0.00 0.00 46.19 43.09 2jfb s LEU 126 CO 0.02 -0.07 0.44 0.42 0.23 0.00 0.00 176.35 177.39 2jfb s THR 127 N 0.50 2.50 0.29 5.49 -4.23 -1.26 -0.47 115.64 118.47 2jfb s THR 127 Ca 0.38 -3.93 0.07 0.00 -1.18 0.00 0.00 61.69 57.03 2jfb s THR 127 Cb -0.19 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.97 2jfb s THR 127 CO 0.20 -1.01 0.32 0.00 -0.54 0.00 0.00 174.62 173.59 2jfb n LEU 129 N -1.38 0.30 -4.30 0.00 4.77 -1.26 -1.33 117.00 113.79 2jfb n LEU 129 Ca -0.04 0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 55.91 2jfb n LEU 129 Cb 0.58 0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 41.83 2jfb n LEU 129 CO 0.43 0.29 -0.40 0.42 -1.33 0.00 0.00 177.39 176.79 2jfb s THR 130 N -2.83 1.36 0.29 -5.08 -4.23 -1.26 -4.19 115.64 99.70 2jfb s THR 130 Ca -0.07 -2.11 -0.01 0.00 -1.18 0.00 0.00 61.69 58.32 2jfb s THR 130 Cb 0.09 -2.02 0.19 0.00 1.34 0.00 0.00 72.50 72.10 2jfb s THR 130 CO 0.84 -0.61 1.88 0.44 -0.54 0.00 0.00 174.62 176.64 2jfb h ASP 131 N 2.63 0.81 -0.59 3.99 3.32 -1.94 -3.07 116.42 121.57 2jfb h ASP 131 Ca -0.37 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 2jfb h ASP 131 Cb 1.21 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 2jfb h ASP 131 CO 0.63 0.71 0.34 -0.08 -1.72 0.00 0.00 179.24 179.13 2jfb h GLU 132 N 0.89 0.81 -0.91 3.56 4.22 -1.99 -1.52 114.58 119.64 2jfb h GLU 132 Ca 0.21 -0.08 0.02 0.00 0.08 0.00 0.00 59.36 59.59 2jfb h GLU 132 Cb 0.14 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 2jfb h GLU 132 CO -0.02 0.60 0.60 1.96 -2.18 0.00 0.00 179.01 179.96 2jfb h GLN 133 N 0.80 1.16 -0.30 1.92 4.20 -1.96 -1.25 115.11 119.68 2jfb h GLN 133 Ca 0.21 -0.07 -0.17 0.00 0.06 0.00 0.00 58.65 58.69 2jfb h GLN 133 Cb 0.01 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.53 2jfb h GLN 133 CO -0.04 0.76 -0.46 0.00 -0.67 0.00 0.00 178.83 178.43 2jfb h ALA 134 N 1.35 0.46 -0.52 3.87 0.00 -1.46 -2.52 119.26 120.43 2jfb h ALA 134 Ca 0.35 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2jfb h ALA 134 Cb -0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2jfb h ALA 134 CO -0.09 0.62 0.30 0.93 0.00 0.00 0.00 179.25 181.00 2jfb h GLU 135 N 0.62 0.72 -0.55 0.00 5.08 -1.04 -2.81 114.58 116.60 2jfb h GLU 135 Ca 0.03 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2jfb h GLU 135 Cb 1.06 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2jfb h GLU 135 CO 0.11 0.54 0.12 0.00 -1.00 0.00 0.00 179.01 178.78 2jfb h ALA 136 N 1.14 0.73 0.00 3.43 0.00 -1.23 -0.99 119.26 122.34 2jfb h ALA 136 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jfb h ALA 136 Cb 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2jfb h ALA 136 CO -0.03 0.45 0.00 0.54 0.00 0.00 0.00 179.25 180.21 2jfb n ARG 137 N -4.38 0.88 -0.00 0.00 1.74 -0.95 -2.16 116.66 111.78 2jfb n ARG 137 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2jfb n ARG 137 Cb 0.25 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 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 -0.66 2.35 -2.04 7.54 0.00 -0.93 -1.82 120.51 124.94 2jfb n ALA 138 Ca 0.07 -0.66 -0.06 0.00 0.00 0.00 0.00 53.44 52.79 2jfb n ALA 138 Cb 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.10 0.18 0.01 0.00 0.00 -0.92 -4.52 105.19 99.83 2jfb n GLY 139 Ca 0.00 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.83 0.75 -4.65 0.99 4.77 -0.42 -4.84 117.00 112.76 2jfb n LEU 140 Ca -0.07 -0.27 -0.37 0.00 -0.03 0.00 0.00 56.01 55.27 2jfb n LEU 140 Cb 0.53 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 2jfb n LEU 140 CO 0.08 0.17 -0.07 -0.63 -1.33 0.00 0.00 177.39 175.61 2jfb s ILE 141 N -3.08 5.29 -0.04 -0.08 -1.09 -1.25 -4.96 121.20 115.98 2jfb s ILE 141 Ca 0.06 0.38 -0.32 0.00 -2.23 0.00 0.00 60.65 58.55 2jfb s ILE 141 Cb 0.16 -3.59 -0.10 0.00 -1.58 0.00 0.00 42.46 37.35 2jfb s ILE 141 CO 0.83 0.29 1.97 -0.62 -1.23 0.00 0.00 174.94 176.18 2jfb n GLU 142 N 4.49 2.50 -1.56 2.79 1.02 -1.26 -2.66 120.64 125.96 2jfb n GLU 142 Ca -0.12 0.90 -0.13 0.00 -0.02 0.00 0.00 57.16 57.79 2jfb n GLU 142 Cb 0.52 -2.88 -0.04 0.00 -0.02 0.00 0.00 31.44 29.01 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 4.65 1.04 3.04 0.62 0.00 -1.26 -5.00 105.19 108.27 2jfb n GLY 143 Ca 0.22 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.43 2.05 2.74 1.61 2.20 -1.09 -5.09 119.74 118.73 2jfb s LYS 144 Ca 0.00 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 2jfb s LYS 144 Cb 0.00 -1.75 0.00 0.00 -1.51 0.00 0.00 37.83 34.57 2jfb s LYS 144 CO 0.00 -0.05 0.00 -1.33 -0.36 0.00 0.00 175.35 173.61 2jfb n MET 145 N 4.16 0.00 -4.05 4.03 2.81 -1.26 -4.72 117.12 118.09 2jfb n MET 145 Ca -0.19 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.60 2jfb n MET 145 Cb 0.51 0.00 -0.07 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 0.58 -0.50 2.03 -3.43 -1.26 -4.96 115.29 107.75 2jfb s HIS 146 Ca 0.00 -0.90 -0.29 0.00 -0.80 0.00 0.00 55.06 53.07 2jfb s HIS 146 Cb 0.00 -0.02 0.03 0.00 -1.43 0.00 0.00 32.58 31.16 2jfb s HIS 146 CO 0.00 -0.90 1.14 1.21 -2.00 0.00 0.00 174.74 174.19 2jfb s ASN 147 N -3.06 6.57 0.56 7.38 3.84 -1.26 -3.75 114.94 125.23 2jfb s ASN 147 Ca 0.27 0.35 0.38 0.00 0.21 0.00 0.00 52.86 54.06 2jfb s ASN 147 Cb 0.01 -2.54 1.97 0.00 -0.55 0.00 0.00 41.25 40.14 2jfb s ASN 147 CO 0.10 -1.30 2.15 0.45 -2.79 0.00 0.00 177.10 175.70 2jfb h HIS 148 N 9.31 0.00 -0.99 0.43 3.86 -1.67 -2.38 115.15 123.71 2jfb h HIS 148 Ca -0.24 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.01 2jfb h HIS 148 Cb 1.06 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.47 2jfb h HIS 148 CO 0.99 0.00 0.65 0.78 0.86 0.00 0.00 177.93 181.21 2jfb h GLY 149 N 0.38 1.43 1.00 2.45 0.00 -1.81 -2.33 103.07 104.19 2jfb h GLY 149 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2jfb h GLY 149 CO 0.00 0.43 0.39 0.83 0.00 0.00 0.00 176.54 178.20 2jfb h GLU 150 N 1.26 0.83 -0.57 4.80 5.08 -1.47 -1.31 114.58 123.20 2jfb h GLU 150 Ca 0.39 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.73 2jfb h GLU 150 Cb -0.02 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.00 2jfb h GLU 150 CO -0.12 0.57 0.31 -0.44 -1.00 0.00 0.00 179.01 178.34 2jfb h ASP 151 N 0.84 0.46 -0.66 1.42 3.32 -1.58 -0.88 116.42 119.34 2jfb h ASP 151 Ca 0.23 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 2jfb h ASP 151 Cb -0.06 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 2jfb h ASP 151 CO -0.05 0.31 0.14 -0.50 -1.72 0.00 0.00 179.24 177.42 2jfb h TRP 152 N 0.59 1.15 -0.81 4.55 6.55 -1.04 -1.22 115.95 125.73 2jfb h TRP 152 Ca 0.25 -0.14 -0.04 0.00 0.95 0.00 0.00 58.89 59.90 2jfb h TRP 152 Cb 0.13 -0.32 -0.04 0.00 -0.86 0.00 0.00 29.16 28.07 2jfb h TRP 152 CO -0.09 0.95 0.34 0.78 -1.05 0.00 0.00 178.44 179.37 2jfb h GLY 153 N 1.06 1.29 0.94 1.49 0.00 -0.91 -1.67 103.07 105.27 2jfb h GLY 153 Ca 0.21 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 2jfb h GLY 153 CO 0.01 0.65 0.10 0.00 0.00 0.00 0.00 176.54 177.30 2jfb h ALA 154 N 1.18 0.54 -0.57 3.60 0.00 -0.76 -3.17 119.26 120.09 2jfb h ALA 154 Ca 0.27 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2jfb h ALA 154 Cb 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2jfb h ALA 154 CO -0.03 0.22 -0.03 0.00 0.00 0.00 0.00 179.25 179.42 2jfb h ALA 155 N 0.96 0.87 -0.82 0.00 0.00 -1.10 -2.60 119.26 116.57 2jfb h ALA 155 Ca 0.13 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.79 2jfb h ALA 155 Cb 0.31 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2jfb h ALA 155 CO 0.00 0.66 0.49 0.00 0.00 0.00 0.00 179.25 180.40 2jfb h ALA 156 N 1.03 1.13 -0.20 0.00 0.00 -1.30 0.26 119.26 120.17 2jfb h ALA 156 Ca 0.16 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2jfb h ALA 156 Cb 0.57 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2jfb h ALA 156 CO 0.03 0.19 -0.41 0.28 0.00 0.00 0.00 179.25 179.34 2jfb h VAL 157 N 0.88 1.32 -0.25 0.00 2.07 -1.51 -2.94 116.25 115.82 2jfb h VAL 157 Ca 0.37 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 2jfb h VAL 157 Cb 0.22 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2jfb h VAL 157 CO -0.19 0.51 0.10 -0.08 0.02 0.00 0.00 177.57 177.93 2jfb h GLU 158 N 0.32 0.38 0.00 1.57 4.81 -1.10 -2.81 114.58 117.76 2jfb h GLU 158 Ca 0.01 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2jfb h GLU 158 Cb 1.02 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.34 2jfb h GLU 158 CO 0.09 0.42 0.00 0.52 -0.73 0.00 0.00 179.01 179.31 2jfb h MET 159 N 0.26 0.00 0.00 1.92 2.86 -1.02 0.33 114.93 119.28 2jfb h MET 159 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2jfb h MET 159 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2jfb h MET 159 CO -0.01 0.00 -0.73 0.00 1.06 0.00 0.00 176.91 177.24 2jfb n ALA 160 N -2.08 3.50 -0.00 6.32 0.00 -1.11 -4.61 120.51 122.52 2jfb n ALA 160 Ca 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.07 2jfb n ALA 160 Cb 0.32 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.75 0.04 -0.35 0.00 -1.04 -1.02 -4.78 114.28 105.38 2jfb n THR 161 Ca 0.04 -0.01 0.15 0.00 -2.04 0.00 0.00 64.05 62.18 2jfb n THR 161 Cb 0.38 -0.73 0.35 0.00 -1.82 0.00 0.00 70.33 68.52 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 -0.01 0.67 -0.60 -2.82 3.64 -1.18 -2.30 116.57 113.97 2jfb h LYS 162 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jfb h LYS 162 Cb 1.02 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2jfb h LYS 162 CO -0.00 0.44 0.00 1.19 -2.27 0.00 0.00 179.45 178.81 2jfb n PHE 163 N -4.80 0.80 0.57 1.91 3.01 -1.26 -5.14 117.46 112.56 2jfb n PHE 163 Ca 0.25 -0.44 0.05 0.00 1.01 0.00 0.00 57.45 58.31 2jfb n PHE 163 Cb 0.64 -0.00 0.27 0.00 -0.01 0.00 0.00 39.48 40.38 2jfb n PHE 163 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86