#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjc s HIS 2 N 0.00 1.49 -0.11 1.43 4.02 -1.26 -4.97 115.29 115.90 1fjc s HIS 2 Ca 0.00 -1.24 0.14 0.00 1.02 0.00 0.00 55.06 54.98 1fjc s HIS 2 Cb 0.00 -1.29 0.28 0.00 -1.02 0.00 0.00 32.58 30.55 1fjc s HIS 2 CO 0.00 -0.70 1.14 -1.33 1.02 0.00 0.00 174.74 174.87 1fjc n MET 3 N 4.92 0.95 -0.05 1.40 0.00 -1.26 -4.76 117.12 118.32 1fjc n MET 3 Ca -0.08 -2.37 -0.08 0.00 0.00 0.00 0.00 57.70 55.17 1fjc n MET 3 Cb 0.45 -1.16 -0.04 0.00 0.00 0.00 0.00 33.22 32.47 1fjc n MET 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1fjc n LEU 4 N -0.86 2.46 0.34 4.03 7.99 -1.26 -4.74 117.00 124.97 1fjc n LEU 4 Ca 0.12 -0.01 -0.17 0.00 -0.01 0.00 0.00 56.01 55.94 1fjc n LEU 4 Cb 0.72 -0.34 -0.09 0.00 -0.11 0.00 0.00 43.42 43.61 1fjc n LEU 4 CO -0.01 0.56 0.61 -0.33 -1.51 0.00 0.00 177.39 176.71 1fjc h GLU 5 N -0.09 -0.81 -6.42 3.23 5.08 -2.01 -3.43 114.58 110.13 1fjc h GLU 5 Ca -0.23 0.05 -0.61 0.00 -1.00 0.00 0.00 59.36 57.57 1fjc h GLU 5 Cb 1.32 0.18 0.12 0.00 0.50 0.00 0.00 28.75 30.87 1fjc h GLU 5 CO -0.06 -0.51 -0.03 -0.25 -1.00 0.00 0.00 179.01 177.16 1fjc n ASP 6 N -5.42 0.65 -3.36 1.42 8.00 -1.26 -4.97 116.55 111.61 1fjc n ASP 6 Ca -0.13 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.48 1fjc n ASP 6 Cb 0.35 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 1fjc n ASP 6 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1fjc n PRO 7 N 0.64 1.12 0.10 -0.24 -0.04 -1.26 -4.92 135.00 130.40 1fjc n PRO 7 Ca 0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1fjc n PRO 7 Cb 0.34 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.74 1fjc n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fjc n THR 9 N -5.28 0.00 0.15 0.00 -1.04 -1.26 -4.83 114.28 102.02 1fjc n THR 9 Ca -0.07 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.87 1fjc n THR 9 Cb 0.20 -0.31 0.08 0.00 -1.82 0.00 0.00 70.33 68.49 1fjc n THR 9 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1fjc n SER 10 N -0.12 3.23 0.02 8.00 2.88 -1.26 -4.41 113.62 121.96 1fjc n SER 10 Ca 0.00 -2.59 -0.01 0.00 -1.33 0.00 0.00 58.87 54.94 1fjc n SER 10 Cb 0.06 -0.62 -0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1fjc n SER 10 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1fjc h LYS 11 N 0.57 -0.06 0.00 -1.46 3.64 -2.01 -3.25 116.57 114.00 1fjc h LYS 11 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1fjc h LYS 11 Cb 1.64 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 1fjc h LYS 11 CO 0.40 -0.04 0.00 1.17 -2.27 0.00 0.00 179.45 178.71 1fjc n LYS 12 N -2.65 0.26 0.14 1.90 4.81 -1.26 -2.25 118.16 119.11 1fjc n LYS 12 Ca -0.01 0.12 0.01 0.00 -0.87 0.00 0.00 58.31 57.56 1fjc n LYS 12 Cb 0.03 -1.50 0.16 0.00 0.02 0.00 0.00 35.03 33.73 1fjc n LYS 12 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1fjc h VAL 13 N 0.00 1.23 -0.91 3.15 2.07 -1.78 -3.14 116.25 116.87 1fjc h VAL 13 Ca 0.00 -2.16 0.01 0.00 0.82 0.00 0.00 66.70 65.37 1fjc h VAL 13 Cb 0.14 2.23 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 1fjc h VAL 13 CO 0.00 0.58 0.61 0.03 0.02 0.00 0.00 177.57 178.80 1fjc h ARG 14 N 0.00 1.20 0.00 1.57 3.08 -1.48 0.44 114.38 119.19 1fjc h ARG 14 Ca -0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1fjc h ARG 14 Cb 1.18 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1fjc h ARG 14 CO 0.08 0.79 0.00 0.00 -1.07 0.00 0.00 179.97 179.77 1fjc n ALA 15 N -2.35 1.37 0.23 0.04 0.00 -1.19 -2.16 120.51 116.45 1fjc n ALA 15 Ca 0.10 0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.64 1fjc n ALA 15 Cb 0.02 -1.19 0.56 0.00 0.00 0.00 0.00 19.45 18.83 1fjc n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjc h ALA 16 N 2.24 1.41 -0.65 0.00 0.00 -1.01 -1.98 119.26 119.27 1fjc h ALA 16 Ca 0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.45 1fjc h ALA 16 Cb 0.16 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.75 1fjc h ALA 16 CO 0.00 0.26 0.34 2.89 0.00 0.00 0.00 179.25 182.74 1fjc n ARG 17 N -3.93 2.55 -3.65 0.00 1.85 -0.92 -3.44 116.66 109.12 1fjc n ARG 17 Ca -0.02 -2.29 -0.10 0.00 -1.00 0.00 0.00 57.85 54.44 1fjc n ARG 17 Cb 0.29 -1.94 -0.05 0.00 -1.05 0.00 0.00 32.46 29.71 1fjc n ARG 17 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1fjc s THR 18 N -2.42 0.07 0.15 8.89 2.01 -0.75 0.16 115.64 123.74 1fjc s THR 18 Ca 0.42 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1fjc s THR 18 Cb 0.34 -1.22 -0.00 0.00 0.01 0.00 0.00 72.50 71.63 1fjc s THR 18 CO 0.09 -0.30 0.18 0.18 -0.69 0.00 0.00 174.62 174.08 1fjc n LEU 19 N -0.23 0.00 -3.94 4.42 4.32 0.41 -3.61 117.00 118.37 1fjc n LEU 19 Ca -0.15 -1.35 -0.30 0.00 -0.02 0.00 0.00 56.01 54.18 1fjc n LEU 19 Cb 0.64 0.98 -0.15 0.00 -1.62 0.00 0.00 43.42 43.26 1fjc n LEU 19 CO 0.17 -0.27 -0.41 -0.22 -1.22 0.00 0.00 177.39 175.44 1fjc s LEU 20 N 0.00 2.81 0.05 2.23 2.96 0.73 -0.75 118.68 126.71 1fjc s LEU 20 Ca 0.15 -1.33 -0.29 0.00 -0.22 0.00 0.00 54.13 52.44 1fjc s LEU 20 Cb 0.00 -1.22 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 1fjc s LEU 20 CO 0.11 -0.26 0.95 0.00 -1.32 0.00 0.00 176.35 175.82 1fjc s ALA 21 N 1.35 3.22 0.28 5.97 0.00 0.74 0.27 121.76 133.59 1fjc s ALA 21 Ca -0.03 0.53 0.05 0.00 0.00 0.00 0.00 51.96 52.51 1fjc s ALA 21 Cb -0.19 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1fjc s ALA 21 CO -0.08 -0.11 0.20 1.17 0.00 0.00 0.00 175.76 176.94 1fjc n LYS 22 N 3.29 0.41 -1.01 0.00 4.81 0.70 0.26 118.16 126.63 1fjc n LYS 22 Ca 0.03 -2.69 -0.00 0.00 -0.87 0.00 0.00 58.31 54.78 1fjc n LYS 22 Cb 0.50 2.00 -0.00 0.00 0.02 0.00 0.00 35.03 37.55 1fjc n LYS 22 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1fjc n ASN 23 N -1.86 -4.71 -3.74 3.14 5.15 -1.22 0.12 115.26 112.14 1fjc n ASN 23 Ca 0.03 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1fjc n ASN 23 Cb 0.48 -2.25 0.00 0.00 -0.53 0.00 0.00 39.78 37.49 1fjc n ASN 23 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1fjc n LEU 24 N -0.04 0.00 -4.07 1.20 4.77 -0.95 -4.72 117.00 113.19 1fjc n LEU 24 Ca -0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.87 1fjc n LEU 24 Cb 0.29 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 1fjc n LEU 24 CO 0.01 -0.35 -0.04 -0.55 -1.33 0.00 0.00 177.39 175.13 1fjc s SER 25 N -1.74 0.04 0.00 -1.43 0.15 -1.26 -4.74 113.70 104.72 1fjc s SER 25 Ca 0.00 -1.09 0.13 0.00 0.70 0.00 0.00 55.95 55.69 1fjc s SER 25 Cb 0.00 0.47 0.60 0.00 -1.71 0.00 0.00 66.02 65.38 1fjc s SER 25 CO 0.00 -0.96 1.34 0.49 1.20 0.00 0.00 173.24 175.31 1fjc n PHE 26 N -0.29 0.00 -0.04 3.44 3.01 -1.26 -2.67 117.46 119.66 1fjc n PHE 26 Ca -0.02 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.23 1fjc n PHE 26 Cb 0.64 -0.35 -0.13 0.00 -0.01 0.00 0.00 39.48 39.62 1fjc n PHE 26 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1fjc n ASN 27 N -1.35 2.06 -4.79 4.37 2.85 -1.26 -4.93 115.26 112.21 1fjc n ASN 27 Ca 0.05 0.18 -0.31 0.00 -0.11 0.00 0.00 54.58 54.40 1fjc n ASN 27 Cb 0.11 -0.80 0.08 0.00 1.24 0.00 0.00 39.78 40.42 1fjc n ASN 27 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1fjc s ILE 28 N -2.53 3.44 0.16 -1.44 2.07 -1.09 -5.05 121.20 116.76 1fjc s ILE 28 Ca -0.26 0.47 -0.05 0.00 -1.41 0.00 0.00 60.65 59.40 1fjc s ILE 28 Cb 0.07 -3.12 0.02 0.00 0.13 0.00 0.00 42.46 39.56 1fjc s ILE 28 CO 0.71 -0.61 0.30 0.35 -1.91 0.00 0.00 174.94 173.77 1fjc n THR 29 N -3.40 0.00 -0.19 4.00 -2.24 -1.26 -4.76 114.28 106.44 1fjc n THR 29 Ca 0.08 -0.47 0.22 0.00 -2.27 0.00 0.00 64.05 61.60 1fjc n THR 29 Cb 0.54 0.41 0.59 0.00 -2.10 0.00 0.00 70.33 69.77 1fjc n THR 29 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1fjc h GLU 30 N 0.00 0.24 0.34 -0.78 4.81 -1.94 -0.05 114.58 117.21 1fjc h GLU 30 Ca -0.13 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1fjc h GLU 30 Cb 0.50 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1fjc h GLU 30 CO 0.17 0.16 -0.32 -0.44 -0.73 0.00 0.00 179.01 177.85 1fjc h ASP 31 N 0.25 -0.85 -0.27 1.04 3.32 -1.97 2.19 116.42 120.13 1fjc h ASP 31 Ca 0.43 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.50 1fjc h ASP 31 Cb 1.28 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 41.09 1fjc h ASP 31 CO -0.11 -0.46 0.03 -0.33 -1.72 0.00 0.00 179.24 176.66 1fjc h GLU 32 N -0.68 0.57 -0.23 3.56 3.07 -1.56 0.44 114.58 119.75 1fjc h GLU 32 Ca -0.02 -0.11 -0.14 0.00 -0.50 0.00 0.00 59.36 58.58 1fjc h GLU 32 Cb 0.61 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 1fjc h GLU 32 CO -0.04 0.57 -0.44 -0.07 -1.40 0.00 0.00 179.01 177.63 1fjc h LEU 33 N 0.55 0.61 -0.58 1.33 3.38 -0.24 0.93 115.31 121.29 1fjc h LEU 33 Ca 0.12 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1fjc h LEU 33 Cb 0.30 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1fjc h LEU 33 CO 0.01 0.97 -0.27 0.50 0.09 0.00 0.00 178.44 179.73 1fjc h LYS 34 N 0.46 0.00 0.11 1.13 3.11 0.46 0.35 116.57 122.19 1fjc h LYS 34 Ca 0.03 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.61 1fjc h LYS 34 Cb 0.95 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.18 1fjc h LYS 34 CO 0.08 0.27 -1.23 1.49 -2.81 0.00 0.00 179.45 177.26 1fjc h GLU 35 N 0.00 0.23 0.18 1.90 4.81 0.42 -2.44 114.58 119.67 1fjc h GLU 35 Ca -0.00 -0.40 -0.35 0.00 -0.13 0.00 0.00 59.36 58.47 1fjc h GLU 35 Cb 0.99 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1fjc h GLU 35 CO 0.04 1.18 -1.79 0.28 -0.73 0.00 0.00 179.01 177.99 1fjc h VAL 36 N 0.06 0.89 -0.92 0.32 2.07 -0.72 -3.34 116.25 114.61 1fjc h VAL 36 Ca -0.12 -2.49 -0.58 0.00 0.82 0.00 0.00 66.70 64.32 1fjc h VAL 36 Cb 1.95 2.72 -0.27 0.00 -1.52 0.00 0.00 31.29 34.17 1fjc h VAL 36 CO 0.19 0.87 0.75 0.49 0.02 0.00 0.00 177.57 179.88 1fjc n PHE 37 N -3.57 2.95 0.14 1.57 3.72 0.12 -4.59 117.46 117.80 1fjc n PHE 37 Ca -0.26 -2.50 0.09 0.00 -0.05 0.00 0.00 57.45 54.73 1fjc n PHE 37 Cb 1.07 -1.22 0.48 0.00 -0.94 0.00 0.00 39.48 38.87 1fjc n PHE 37 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1fjc n GLU 38 N -0.84 0.11 -0.31 -1.08 2.13 -0.92 -0.54 120.64 119.21 1fjc n GLU 38 Ca 0.57 0.61 0.05 0.00 0.66 0.00 0.00 57.16 59.06 1fjc n GLU 38 Cb 0.97 -1.91 0.19 0.00 0.27 0.00 0.00 31.44 30.96 1fjc n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1fjc n ASP 39 N -2.13 2.67 -4.87 4.31 2.03 -1.26 -4.89 116.55 112.41 1fjc n ASP 39 Ca -0.01 -2.19 -0.29 0.00 0.52 0.00 0.00 54.79 52.81 1fjc n ASP 39 Cb 0.06 -0.40 -0.02 0.00 -0.72 0.00 0.00 41.12 40.04 1fjc n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fjc s ALA 40 N -1.65 4.43 -0.14 -1.67 0.00 0.30 -4.30 121.76 118.73 1fjc s ALA 40 Ca 0.27 -0.80 -0.19 0.00 0.00 0.00 0.00 51.96 51.24 1fjc s ALA 40 Cb 0.17 -0.48 -0.17 0.00 0.00 0.00 0.00 23.12 22.64 1fjc s ALA 40 CO 0.14 -0.32 0.43 -0.07 0.00 0.00 0.00 175.76 175.94 1fjc h LEU 41 N 0.89 0.00 -8.06 0.00 3.38 -0.45 -3.44 115.31 107.63 1fjc h LEU 41 Ca -0.39 -0.61 0.03 0.00 0.09 0.00 0.00 57.88 57.01 1fjc h LEU 41 Cb 1.31 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.01 1fjc h LEU 41 CO 0.62 0.92 0.14 -1.61 0.09 0.00 0.00 178.44 178.60 1fjc s GLU 42 N -2.06 1.74 0.00 1.13 2.02 -0.95 -5.03 118.70 115.55 1fjc s GLU 42 Ca -0.15 -1.07 0.02 0.00 0.02 0.00 0.00 54.97 53.78 1fjc s GLU 42 Cb -0.01 0.58 -0.01 0.00 0.10 0.00 0.00 34.13 34.79 1fjc s GLU 42 CO 0.46 -0.78 -0.05 0.42 0.02 0.00 0.00 175.26 175.33 1fjc s ILE 43 N -3.89 0.39 0.45 -1.63 1.01 -1.26 -1.09 121.20 115.18 1fjc s ILE 43 Ca 0.14 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.52 1fjc s ILE 43 Cb -0.05 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 1fjc s ILE 43 CO 0.08 0.05 0.03 -0.13 0.00 0.00 0.00 174.94 174.97 1fjc s ARG 44 N -0.27 2.04 0.05 2.79 0.52 0.58 -4.89 118.95 119.77 1fjc s ARG 44 Ca 0.00 -2.25 -0.11 0.00 -0.52 0.00 0.00 55.73 52.85 1fjc s ARG 44 Cb -0.03 -1.31 0.01 0.00 0.52 0.00 0.00 34.95 34.14 1fjc s ARG 44 CO -0.00 -0.30 0.23 -0.48 0.02 0.00 0.00 175.30 174.77 1fjc s LEU 45 N -3.75 1.19 0.13 2.53 0.05 -1.26 0.31 118.68 117.88 1fjc s LEU 45 Ca 0.18 -0.35 0.05 0.00 0.05 0.00 0.00 54.13 54.06 1fjc s LEU 45 Cb 0.04 1.12 -0.04 0.00 -2.05 0.00 0.00 46.19 45.26 1fjc s LEU 45 CO 0.09 -0.61 -0.13 -0.69 -0.55 0.00 0.00 176.35 174.47 1fjc s VAL 46 N -2.80 1.25 0.00 1.48 1.01 0.17 -4.82 120.40 116.69 1fjc s VAL 46 Ca -0.03 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.15 1fjc s VAL 46 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1fjc s VAL 46 CO -0.05 -0.51 0.00 -1.54 0.00 0.00 0.00 175.10 173.00 1fjc n SER 47 N 0.35 0.00 -0.68 3.32 3.41 -1.26 -0.75 113.62 118.01 1fjc n SER 47 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1fjc n SER 47 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1fjc n SER 47 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1fjc n GLN 48 N 0.00 2.70 -0.12 4.33 -0.06 -0.38 -4.63 117.38 119.23 1fjc n GLN 48 Ca 0.00 0.00 0.26 0.00 -2.00 0.00 0.00 57.00 55.26 1fjc n GLN 48 Cb 0.00 0.00 0.56 0.00 -4.06 0.00 0.00 30.24 26.74 1fjc n GLN 48 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 1fjc h ASP 49 N 0.00 0.00 0.00 1.69 1.82 -2.02 -3.30 116.42 114.61 1fjc h ASP 49 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1fjc h ASP 49 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1fjc h ASP 49 CO 0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1fjc n GLY 50 N -1.64 -1.38 3.27 -0.78 0.00 -1.26 -5.14 105.19 98.26 1fjc n GLY 50 Ca 0.18 0.66 0.03 0.00 0.00 0.00 0.00 46.02 46.89 1fjc n GLY 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fjc s LYS 51 N 0.00 0.15 0.02 1.61 2.20 -1.25 -5.12 119.74 117.35 1fjc s LYS 51 Ca 0.00 0.36 -0.28 0.00 -0.36 0.00 0.00 55.97 55.69 1fjc s LYS 51 Cb 0.00 0.22 -0.14 0.00 -1.51 0.00 0.00 37.83 36.39 1fjc s LYS 51 CO 0.00 -0.06 0.74 0.45 -0.36 0.00 0.00 175.35 176.12 1fjc n SER 52 N 4.80 -0.12 -0.01 1.43 2.88 -1.26 -1.25 113.62 120.09 1fjc n SER 52 Ca -0.08 0.85 0.02 0.00 -1.33 0.00 0.00 58.87 58.34 1fjc n SER 52 Cb 0.54 -0.68 -0.05 0.00 -0.75 0.00 0.00 64.21 63.27 1fjc n SER 52 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1fjc n LYS 53 N 1.06 0.63 0.00 -1.46 3.00 -1.24 -4.66 118.16 115.49 1fjc n LYS 53 Ca 0.15 -0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1fjc n LYS 53 Cb 0.07 -1.15 0.00 0.00 0.00 0.00 0.00 35.03 33.95 1fjc n LYS 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fjc n GLY 54 N 2.22 1.55 3.87 3.14 0.00 -1.21 -4.61 105.19 110.14 1fjc n GLY 54 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1fjc n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fjc s ILE 55 N -2.00 5.11 -0.19 -0.61 -1.09 0.07 -2.25 121.20 120.25 1fjc s ILE 55 Ca 0.00 0.40 -0.04 0.00 -2.23 0.00 0.00 60.65 58.78 1fjc s ILE 55 Cb 0.00 -3.64 0.08 0.00 -1.58 0.00 0.00 42.46 37.32 1fjc s ILE 55 CO 0.00 0.27 0.19 0.00 -1.23 0.00 0.00 174.94 174.17 1fjc s ALA 56 N -1.42 -0.10 -0.21 9.38 0.00 0.74 0.44 121.76 130.58 1fjc s ALA 56 Ca 0.33 0.15 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 1fjc s ALA 56 Cb -0.14 -1.22 -0.00 0.00 0.00 0.00 0.00 23.12 21.76 1fjc s ALA 56 CO 0.18 -1.16 1.17 -0.47 0.00 0.00 0.00 175.76 175.49 1fjc s TYR 57 N 2.28 3.03 -0.24 0.00 6.14 0.94 0.26 117.35 129.76 1fjc s TYR 57 Ca 0.05 1.18 -0.06 0.00 0.64 0.00 0.00 57.07 58.88 1fjc s TYR 57 Cb -0.16 -3.47 -0.02 0.00 0.42 0.00 0.00 41.96 38.74 1fjc s TYR 57 CO -0.11 -1.19 0.04 0.42 0.64 0.00 0.00 175.55 175.34 1fjc s ILE 58 N 3.48 4.02 -0.37 3.14 -1.09 0.07 0.21 121.20 130.66 1fjc s ILE 58 Ca 0.50 -0.29 -0.03 0.00 -2.23 0.00 0.00 60.65 58.61 1fjc s ILE 58 Cb -0.18 -2.88 0.08 0.00 -1.58 0.00 0.00 42.46 37.91 1fjc s ILE 58 CO 0.12 0.35 0.13 -1.83 -1.23 0.00 0.00 174.94 172.48 1fjc s GLU 59 N 1.57 2.21 0.85 2.79 -1.05 -0.25 0.16 118.70 124.97 1fjc s GLU 59 Ca 0.06 -1.57 -0.09 0.00 -0.15 0.00 0.00 54.97 53.22 1fjc s GLU 59 Cb -0.15 -3.44 0.17 0.00 -0.44 0.00 0.00 34.13 30.26 1fjc s GLU 59 CO 0.02 -0.88 1.16 -0.06 0.95 0.00 0.00 175.26 176.45 1fjc s PHE 60 N 1.21 1.58 0.03 4.83 0.40 0.42 0.21 117.98 126.64 1fjc s PHE 60 Ca 0.03 0.02 0.27 0.00 -0.60 0.00 0.00 56.93 56.65 1fjc s PHE 60 Cb -0.21 -3.57 0.97 0.00 0.51 0.00 0.00 43.02 40.72 1fjc s PHE 60 CO -0.02 -2.20 1.84 -0.22 0.70 0.00 0.00 175.22 175.32 1fjc h LYS 61 N -1.10 0.00 -2.71 0.44 3.64 -1.79 -3.39 116.57 111.66 1fjc h LYS 61 Ca -0.40 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.98 1fjc h LYS 61 Cb 1.25 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.93 1fjc h LYS 61 CO 0.39 0.12 0.28 -1.12 -2.27 0.00 0.00 179.45 176.85 1fjc s SER 62 N -6.01 -0.53 0.39 4.20 0.01 -1.26 -4.97 113.70 105.52 1fjc s SER 62 Ca 0.02 0.08 0.15 0.00 1.31 0.00 0.00 55.95 57.51 1fjc s SER 62 Cb 0.09 0.54 1.00 0.00 0.21 0.00 0.00 66.02 67.86 1fjc s SER 62 CO 0.61 -0.84 1.83 -0.33 0.41 0.00 0.00 173.24 174.92 1fjc h GLU 63 N 2.12 0.48 -0.65 12.44 5.08 -1.86 0.14 114.58 132.33 1fjc h GLU 63 Ca -0.30 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.98 1fjc h GLU 63 Cb 1.27 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1fjc h GLU 63 CO 0.36 0.32 0.23 0.00 -1.00 0.00 0.00 179.01 178.92 1fjc h ALA 64 N 1.61 0.84 0.07 3.43 0.00 -1.95 1.41 119.26 124.67 1fjc h ALA 64 Ca 0.50 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1fjc h ALA 64 Cb 1.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1fjc h ALA 64 CO -0.23 0.49 -0.03 -0.44 0.00 0.00 0.00 179.25 179.04 1fjc h ASP 65 N 0.92 -0.08 -0.32 0.00 5.19 -1.15 0.85 116.42 121.83 1fjc h ASP 65 Ca 0.21 -0.32 -0.07 0.00 -0.62 0.00 0.00 57.03 56.23 1fjc h ASP 65 Cb 0.25 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 1fjc h ASP 65 CO -0.01 0.29 -0.03 0.00 -3.12 0.00 0.00 179.24 176.36 1fjc h ALA 66 N 0.44 1.16 -0.02 3.45 0.00 -0.97 -0.55 119.26 122.76 1fjc h ALA 66 Ca -0.01 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1fjc h ALA 66 Cb 0.40 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1fjc h ALA 66 CO 0.02 0.54 -0.63 0.93 0.00 0.00 0.00 179.25 180.11 1fjc h GLU 67 N 0.65 0.47 -0.19 0.00 5.08 0.20 1.00 114.58 121.78 1fjc h GLU 67 Ca 0.13 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1fjc h GLU 67 Cb 0.45 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1fjc h GLU 67 CO 0.02 1.12 0.12 -0.22 -1.00 0.00 0.00 179.01 179.05 1fjc h LYS 68 N -0.00 0.26 -0.41 2.33 1.63 0.85 -0.32 116.57 120.91 1fjc h LYS 68 Ca -0.07 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.63 1fjc h LYS 68 Cb 1.32 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.88 1fjc h LYS 68 CO 0.12 0.21 -0.05 -0.91 -3.45 0.00 0.00 179.45 175.38 1fjc h ASN 69 N 0.23 0.76 -0.71 4.20 2.35 -1.16 1.94 115.58 123.20 1fjc h ASN 69 Ca 0.07 -0.33 0.11 0.00 -0.55 0.00 0.00 56.30 55.60 1fjc h ASN 69 Cb 0.01 -0.20 -0.08 0.00 0.05 0.00 0.00 38.32 38.10 1fjc h ASN 69 CO -0.01 0.91 0.31 0.25 -1.65 0.00 0.00 177.43 177.24 1fjc h LEU 70 N 0.59 0.36 0.06 1.61 5.85 -0.41 0.27 115.31 123.64 1fjc h LEU 70 Ca 0.11 0.08 -0.27 0.00 0.84 0.00 0.00 57.88 58.64 1fjc h LEU 70 Cb 0.55 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1fjc h LEU 70 CO 0.03 0.18 -1.45 -0.08 -0.34 0.00 0.00 178.44 176.78 1fjc h GLU 71 N 0.51 0.13 -0.00 1.25 4.81 -0.85 -1.77 114.58 118.66 1fjc h GLU 71 Ca 0.37 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1fjc h GLU 71 Cb 0.46 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 1fjc h GLU 71 CO -0.32 1.11 0.04 1.49 -0.73 0.00 0.00 179.01 180.59 1fjc h GLU 72 N -0.54 0.00 0.00 1.92 4.57 0.32 -3.34 114.58 117.51 1fjc h GLU 72 Ca -0.35 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 1fjc h GLU 72 Cb 1.60 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.19 1fjc h GLU 72 CO -0.06 0.00 -0.07 1.63 -1.18 0.00 0.00 179.01 179.34 1fjc n LYS 73 N -3.11 0.03 -2.46 1.92 4.76 0.94 -5.00 118.16 115.25 1fjc n LYS 73 Ca -0.03 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1fjc n LYS 73 Cb 0.11 -0.29 0.00 0.00 -1.84 0.00 0.00 35.03 33.01 1fjc n LYS 73 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1fjc n GLN 74 N -2.87 -0.59 0.00 1.97 -0.06 -0.67 -3.32 117.38 111.85 1fjc n GLN 74 Ca -0.01 0.77 0.00 0.00 -2.00 0.00 0.00 57.00 55.76 1fjc n GLN 74 Cb 0.03 -0.69 0.00 0.00 -4.06 0.00 0.00 30.24 25.53 1fjc n GLN 74 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1fjc n GLY 75 N 1.64 2.82 2.47 1.69 0.00 0.24 -4.78 105.19 109.27 1fjc n GLY 75 Ca 0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 1fjc n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fjc n ALA 76 N 0.00 -0.18 -2.13 4.61 0.00 -1.21 0.11 120.51 121.72 1fjc n ALA 76 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.47 1fjc n ALA 76 Cb 0.00 -1.56 0.02 0.00 0.00 0.00 0.00 19.45 17.90 1fjc n ALA 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1fjc n GLU 77 N -1.17 -0.76 -4.29 0.00 2.13 -1.26 -4.89 120.64 110.39 1fjc n GLU 77 Ca -0.12 0.62 -0.16 0.00 0.66 0.00 0.00 57.16 58.17 1fjc n GLU 77 Cb 0.51 -0.86 -0.10 0.00 0.27 0.00 0.00 31.44 31.26 1fjc n GLU 77 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1fjc s ILE 78 N -0.65 0.66 -1.71 6.31 1.01 0.17 -4.81 121.20 122.18 1fjc s ILE 78 Ca 0.15 -2.00 -0.21 0.00 0.00 0.00 0.00 60.65 58.59 1fjc s ILE 78 Cb -0.02 -2.43 0.21 0.00 0.01 0.00 0.00 42.46 40.23 1fjc s ILE 78 CO 0.34 -0.20 0.58 0.47 0.00 0.00 0.00 174.94 176.13 1fjc n ASP 79 N -0.38 -2.05 -2.36 3.58 8.00 -1.26 0.27 116.55 122.34 1fjc n ASP 79 Ca -0.03 -1.06 -0.20 0.00 0.71 0.00 0.00 54.79 54.21 1fjc n ASP 79 Cb 0.65 -1.77 -0.01 0.00 -0.02 0.00 0.00 41.12 39.97 1fjc n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fjc n GLY 80 N -1.07 -0.37 3.61 0.44 0.00 -1.26 -4.93 105.19 101.61 1fjc n GLY 80 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1fjc n GLY 80 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fjc s ARG 81 N -4.98 0.50 -0.04 1.61 1.70 0.76 -5.14 118.95 113.36 1fjc s ARG 81 Ca 0.00 0.37 -0.28 0.00 -0.47 0.00 0.00 55.73 55.35 1fjc s ARG 81 Cb 0.00 0.24 -0.03 0.00 -0.57 0.00 0.00 34.95 34.59 1fjc s ARG 81 CO 0.00 -0.10 0.91 -1.12 -1.08 0.00 0.00 175.30 173.91 1fjc s SER 82 N -0.34 7.23 0.47 -2.89 0.01 -1.26 -0.65 113.70 116.27 1fjc s SER 82 Ca 0.02 1.50 -0.22 0.00 1.31 0.00 0.00 55.95 58.55 1fjc s SER 82 Cb -0.03 -2.52 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 1fjc s SER 82 CO -0.04 -0.27 1.11 -0.69 0.41 0.00 0.00 173.24 173.77 1fjc s VAL 83 N 1.21 3.35 -0.15 3.43 1.01 0.31 -4.65 120.40 124.92 1fjc s VAL 83 Ca 0.47 0.95 -0.08 0.00 0.00 0.00 0.00 61.98 63.32 1fjc s VAL 83 Cb -0.19 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1fjc s VAL 83 CO 0.23 -0.08 0.13 -0.44 0.00 0.00 0.00 175.10 174.94 1fjc s SER 84 N -1.59 6.23 -0.14 3.32 0.01 0.12 0.79 113.70 122.44 1fjc s SER 84 Ca 0.65 0.36 -0.06 0.00 1.31 0.00 0.00 55.95 58.20 1fjc s SER 84 Cb -0.24 -2.04 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 1fjc s SER 84 CO 0.29 0.32 0.09 -0.76 0.41 0.00 0.00 173.24 173.59 1fjc s LEU 85 N -0.50 4.05 -0.37 2.44 1.43 -1.26 0.25 118.68 124.72 1fjc s LEU 85 Ca 0.12 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.52 1fjc s LEU 85 Cb -0.12 -1.99 0.11 0.00 0.03 0.00 0.00 46.19 44.22 1fjc s LEU 85 CO 0.02 0.32 0.11 -0.31 0.23 0.00 0.00 176.35 176.72 1fjc s TYR 86 N -0.48 2.96 0.71 0.29 1.51 0.78 -4.87 117.35 118.25 1fjc s TYR 86 Ca 0.11 -2.65 -0.09 0.00 -1.01 0.00 0.00 57.07 53.43 1fjc s TYR 86 Cb -0.12 -2.49 0.13 0.00 -0.11 0.00 0.00 41.96 39.38 1fjc s TYR 86 CO 0.02 -0.88 0.30 0.98 -1.11 0.00 0.00 175.55 174.86 1fjc n TYR 87 N 4.15 -2.07 -1.89 2.71 9.36 -1.26 0.26 117.16 128.42 1fjc n TYR 87 Ca 0.03 -0.02 -0.02 0.00 3.32 0.00 0.00 57.90 61.22 1fjc n TYR 87 Cb 0.40 -0.98 -0.01 0.00 -0.63 0.00 0.00 39.34 38.12 1fjc n TYR 87 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1fjc n THR 88 N -3.85 0.00 -1.47 2.97 5.66 -1.24 -4.30 114.28 112.05 1fjc n THR 88 Ca 0.05 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1fjc n THR 88 Cb 0.21 0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1fjc n THR 88 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1fjc n GLY 89 N -0.13 -1.20 0.00 1.09 0.00 -1.18 -4.45 105.19 99.32 1fjc n GLY 89 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1fjc n GLY 89 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1fjc n GLU 90 N 0.00 0.00 -1.96 1.61 4.07 -1.26 -4.15 120.64 118.95 1fjc n GLU 90 Ca 0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 1fjc n GLU 90 Cb 0.54 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.95 1fjc n GLU 90 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1fjc n LYS 91 N -0.76 3.27 -0.95 5.31 4.81 -1.26 -5.06 118.16 123.53 1fjc n LYS 91 Ca 0.00 -3.98 -0.35 0.00 -0.87 0.00 0.00 58.31 53.11 1fjc n LYS 91 Cb 0.00 -2.27 0.06 0.00 0.02 0.00 0.00 35.03 32.84 1fjc n LYS 91 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fjc n GLY 92 N -0.69 -3.81 3.67 3.14 0.00 -1.26 -4.72 105.19 101.52 1fjc n GLY 92 Ca 0.48 -0.77 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 1fjc n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjc n GLY 93 N 2.85 0.88 3.35 -0.02 0.00 -1.26 -4.98 105.19 106.02 1fjc n GLY 93 Ca 0.01 0.55 -0.15 0.00 0.00 0.00 0.00 46.02 46.43 1fjc n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fjc s THR 94 N 0.25 0.03 0.19 2.61 2.01 -1.26 -5.12 115.64 114.36 1fjc s THR 94 Ca 0.72 -0.24 -0.28 0.00 0.31 0.00 0.00 61.69 62.19 1fjc s THR 94 Cb -0.66 -0.74 -0.17 0.00 0.01 0.00 0.00 72.50 70.93 1fjc s THR 94 CO 0.46 -0.13 0.54 -1.14 -0.69 0.00 0.00 174.62 173.66 1fjc n ARG 95 N 1.45 0.01 -0.26 4.92 0.00 -1.26 -5.27 116.66 116.24 1fjc n ARG 95 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 1fjc n ARG 95 Cb 0.56 -1.02 0.00 0.00 0.00 0.00 0.00 32.46 32.00 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04