#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjc n HIS 2 N 0.00 -3.44 0.00 0.66 -0.00 -1.26 -5.01 115.22 106.18 1fjc n HIS 2 Ca 0.00 1.91 0.00 0.00 -0.00 0.00 0.00 57.72 59.63 1fjc n HIS 2 Cb 0.00 -3.29 0.00 0.00 -0.00 0.00 0.00 29.99 26.70 1fjc n HIS 2 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1fjc n MET 3 N 1.69 1.26 -1.16 1.57 0.00 -1.26 -4.97 117.12 114.25 1fjc n MET 3 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.43 1fjc n MET 3 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.66 1fjc n MET 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1fjc n LEU 4 N 0.00 -1.28 0.00 -0.89 7.94 -1.26 -4.91 117.00 116.59 1fjc n LEU 4 Ca 0.00 2.12 0.00 0.00 -1.11 0.00 0.00 56.01 57.02 1fjc n LEU 4 Cb 0.00 -2.06 0.00 0.00 0.53 0.00 0.00 43.42 41.89 1fjc n LEU 4 CO 0.00 -0.55 0.09 -0.62 -1.11 0.00 0.00 177.39 175.21 1fjc n GLU 5 N -2.23 1.51 -0.67 1.96 -0.58 -1.26 -4.96 120.64 114.41 1fjc n GLU 5 Ca 0.00 -0.19 -0.26 0.00 -0.42 0.00 0.00 57.16 56.30 1fjc n GLU 5 Cb 0.33 -0.61 0.13 0.00 -0.57 0.00 0.00 31.44 30.72 1fjc n GLU 5 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1fjc n ASP 6 N -0.27 -2.72 -0.92 1.62 8.00 -1.26 -4.76 116.55 116.23 1fjc n ASP 6 Ca 0.00 -0.21 -0.01 0.00 0.71 0.00 0.00 54.79 55.28 1fjc n ASP 6 Cb 0.05 -0.77 0.03 0.00 -0.02 0.00 0.00 41.12 40.41 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 -0.96 1.25 -0.54 -0.24 -0.04 -1.26 -3.61 135.00 129.61 1fjc n PRO 7 Ca 0.02 -0.33 0.06 0.00 -0.04 0.00 0.00 63.50 63.21 1fjc n PRO 7 Cb 0.50 -1.32 0.11 0.00 -0.04 0.00 0.00 33.50 32.74 1fjc n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fjc h THR 9 N 2.98 0.15 0.00 0.00 1.35 -1.90 -3.35 112.91 112.14 1fjc h THR 9 Ca -0.04 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1fjc h THR 9 Cb 1.24 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1fjc h THR 9 CO 0.02 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.05 1fjc n SER 10 N -4.07 0.00 -0.01 5.36 2.88 -1.26 -5.03 113.62 111.49 1fjc n SER 10 Ca 0.37 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.89 1fjc n SER 10 Cb 1.71 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 65.16 1fjc n SER 10 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1fjc n LYS 11 N 0.00 0.14 -0.10 -1.46 0.00 -1.26 -4.38 118.16 111.10 1fjc n LYS 11 Ca 0.00 0.06 0.06 0.00 -0.00 0.00 0.00 58.31 58.42 1fjc n LYS 11 Cb 0.00 -0.63 0.21 0.00 -0.00 0.00 0.00 35.03 34.61 1fjc n LYS 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1fjc n LYS 12 N -3.23 1.52 -0.01 -1.58 5.02 -1.26 -3.34 118.16 115.28 1fjc n LYS 12 Ca -0.04 -0.80 0.09 0.00 -2.02 0.00 0.00 58.31 55.54 1fjc n LYS 12 Cb 0.14 -1.24 -0.16 0.00 -0.02 0.00 0.00 35.03 33.75 1fjc n LYS 12 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1fjc n VAL 13 N 0.11 0.08 0.08 -0.18 0.31 -1.26 -4.30 118.33 113.17 1fjc n VAL 13 Ca 0.10 -0.49 -0.01 0.00 -0.01 0.00 0.00 64.34 63.94 1fjc n VAL 13 Cb 0.21 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.10 1fjc n VAL 13 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1fjc h ARG 14 N 0.00 0.00 -0.03 5.55 0.11 -1.75 -3.29 114.38 114.96 1fjc h ARG 14 Ca -0.03 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.95 1fjc h ARG 14 Cb 1.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.07 1fjc h ARG 14 CO 0.00 0.53 -0.46 0.00 0.10 0.00 0.00 179.97 180.14 1fjc h ALA 15 N 1.36 1.19 -0.63 0.08 0.00 -1.75 -3.09 119.26 116.42 1fjc h ALA 15 Ca -0.07 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1fjc h ALA 15 Cb 1.55 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1fjc h ALA 15 CO 0.07 0.59 0.40 0.00 0.00 0.00 0.00 179.25 180.31 1fjc h ALA 16 N 1.48 0.81 -0.27 0.00 0.00 -1.64 -0.85 119.26 118.78 1fjc h ALA 16 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1fjc h ALA 16 Cb 0.83 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1fjc h ALA 16 CO 0.06 0.17 0.07 2.89 0.00 0.00 0.00 179.25 182.44 1fjc n ARG 17 N -4.69 2.24 -4.63 0.00 1.85 -1.17 -4.33 116.66 105.93 1fjc n ARG 17 Ca 0.06 -1.22 -0.22 0.00 -1.00 0.00 0.00 57.85 55.47 1fjc n ARG 17 Cb 0.06 -1.71 -0.15 0.00 -1.05 0.00 0.00 32.46 29.61 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 -1.58 1.09 0.11 8.89 2.01 -0.33 0.92 115.64 126.75 1fjc s THR 18 Ca 0.22 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.55 1fjc s THR 18 Cb 0.17 -0.91 -0.00 0.00 0.01 0.00 0.00 72.50 71.76 1fjc s THR 18 CO 0.06 0.31 0.21 -1.48 -0.69 0.00 0.00 174.62 173.03 1fjc s LEU 19 N -0.28 1.31 -0.23 4.42 0.05 0.16 -2.25 118.68 121.85 1fjc s LEU 19 Ca 0.05 -0.71 -0.06 0.00 0.05 0.00 0.00 54.13 53.46 1fjc s LEU 19 Cb -0.06 1.07 -0.02 0.00 -2.05 0.00 0.00 46.19 45.13 1fjc s LEU 19 CO -0.00 -0.77 0.01 -0.22 -0.55 0.00 0.00 176.35 174.82 1fjc s LEU 20 N -2.89 3.17 0.31 1.48 2.96 0.75 0.23 118.68 124.69 1fjc s LEU 20 Ca 0.08 -0.29 -0.28 0.00 -0.22 0.00 0.00 54.13 53.42 1fjc s LEU 20 Cb 0.05 -1.83 -0.09 0.00 0.50 0.00 0.00 46.19 44.81 1fjc s LEU 20 CO -0.08 -0.02 1.06 0.00 -1.32 0.00 0.00 176.35 175.98 1fjc s ALA 21 N 1.50 3.29 0.20 5.97 0.00 0.71 0.25 121.76 133.69 1fjc s ALA 21 Ca 0.06 0.78 -0.00 0.00 0.00 0.00 0.00 51.96 52.80 1fjc s ALA 21 Cb -0.15 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1fjc s ALA 21 CO 0.00 -0.11 0.09 0.15 0.00 0.00 0.00 175.76 175.89 1fjc s LYS 22 N -1.77 1.20 -0.43 0.00 1.02 0.20 0.14 119.74 120.10 1fjc s LYS 22 Ca 0.48 -1.62 0.00 0.00 0.02 0.00 0.00 55.97 54.85 1fjc s LYS 22 Cb -0.27 0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.08 1fjc s LYS 22 CO 0.35 -0.31 0.00 -1.71 -0.92 0.00 0.00 175.35 172.76 1fjc n ASN 23 N -0.29 -5.07 -3.70 2.83 5.15 0.13 0.25 115.26 114.56 1fjc n ASN 23 Ca -0.01 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 1fjc n ASN 23 Cb 0.65 -2.92 0.00 0.00 -0.53 0.00 0.00 39.78 36.98 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 -0.46 0.00 0.00 1.20 7.99 0.65 -4.60 117.00 121.79 1fjc n LEU 24 Ca -0.04 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 55.95 1fjc n LEU 24 Cb 0.40 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.70 1fjc n LEU 24 CO 0.06 -0.69 -0.00 -0.24 -1.51 0.00 0.00 177.39 175.01 1fjc n SER 25 N -0.54 1.50 -0.03 -1.43 2.88 -1.26 -4.57 113.62 110.16 1fjc n SER 25 Ca 0.00 -1.07 -0.04 0.00 -1.33 0.00 0.00 58.87 56.43 1fjc n SER 25 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1fjc n SER 25 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1fjc n PHE 26 N -0.32 0.51 1.01 0.66 3.01 -1.26 -4.18 117.46 116.89 1fjc n PHE 26 Ca -0.00 0.18 0.11 0.00 1.01 0.00 0.00 57.45 58.74 1fjc n PHE 26 Cb 0.02 -1.01 -0.01 0.00 -0.01 0.00 0.00 39.48 38.47 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 -2.79 0.95 -4.73 4.37 5.15 -1.26 -4.96 115.26 111.99 1fjc n ASN 27 Ca -0.19 -0.85 -0.34 0.00 -0.60 0.00 0.00 54.58 52.59 1fjc n ASN 27 Cb 0.97 0.77 0.09 0.00 -0.53 0.00 0.00 39.78 41.08 1fjc n ASN 27 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1fjc s ILE 28 N -2.95 2.41 0.29 -1.44 1.10 -1.26 -5.03 121.20 114.32 1fjc s ILE 28 Ca 0.10 0.20 -0.06 0.00 -0.51 0.00 0.00 60.65 60.38 1fjc s ILE 28 Cb 0.17 -2.75 0.03 0.00 0.15 0.00 0.00 42.46 40.05 1fjc s ILE 28 CO 0.80 -0.11 0.49 0.35 -2.11 0.00 0.00 174.94 174.36 1fjc n THR 29 N -2.71 0.00 -0.01 4.00 -2.24 -1.26 -4.92 114.28 107.14 1fjc n THR 29 Ca 0.13 -1.09 0.23 0.00 -2.27 0.00 0.00 64.05 61.05 1fjc n THR 29 Cb 0.50 0.81 0.71 0.00 -2.10 0.00 0.00 70.33 70.25 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 0.00 0.83 -0.78 4.81 -1.93 -0.33 114.58 117.18 1fjc h GLU 30 Ca -0.23 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1fjc h GLU 30 Cb 0.94 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.33 1fjc h GLU 30 CO 0.31 0.00 -0.40 -0.44 -0.73 0.00 0.00 179.01 177.75 1fjc h ASP 31 N 0.00 -0.95 -0.59 1.04 3.32 -1.96 2.05 116.42 119.32 1fjc h ASP 31 Ca 0.28 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 1fjc h ASP 31 Cb 1.46 0.24 -0.03 0.00 0.22 0.00 0.00 39.33 41.22 1fjc h ASP 31 CO -0.00 -0.61 0.36 -0.33 -1.72 0.00 0.00 179.24 176.94 1fjc h GLU 32 N -1.25 0.81 -0.15 3.56 3.07 -1.63 0.47 114.58 119.46 1fjc h GLU 32 Ca -0.11 -0.07 -0.15 0.00 -0.50 0.00 0.00 59.36 58.53 1fjc h GLU 32 Cb 0.86 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 1fjc h GLU 32 CO 0.19 0.57 -0.52 -0.07 -1.40 0.00 0.00 179.01 177.78 1fjc h LEU 33 N 0.83 0.48 -0.83 1.33 3.38 -0.93 0.79 115.31 120.36 1fjc h LEU 33 Ca 0.22 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1fjc h LEU 33 Cb -0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1fjc h LEU 33 CO -0.04 0.91 -0.24 0.50 0.09 0.00 0.00 178.44 179.66 1fjc h LYS 34 N 0.34 0.00 0.13 1.13 3.11 0.50 0.94 116.57 122.72 1fjc h LYS 34 Ca 0.01 0.00 -0.29 0.00 -2.81 0.00 0.00 60.65 57.57 1fjc h LYS 34 Cb 1.03 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.26 1fjc h LYS 34 CO 0.09 0.24 -1.33 1.49 -2.81 0.00 0.00 179.45 177.13 1fjc h GLU 35 N 0.00 0.28 0.17 1.90 4.22 0.47 -2.70 114.58 118.93 1fjc h GLU 35 Ca -0.00 -0.48 -0.35 0.00 0.08 0.00 0.00 59.36 58.61 1fjc h GLU 35 Cb 0.87 0.18 0.01 0.00 0.50 0.00 0.00 28.75 30.31 1fjc h GLU 35 CO 0.03 1.20 -1.76 0.28 -2.18 0.00 0.00 179.01 176.58 1fjc h VAL 36 N 0.08 0.90 -1.86 0.32 2.07 -0.67 -3.36 116.25 113.73 1fjc h VAL 36 Ca -0.17 -2.48 -0.73 0.00 0.82 0.00 0.00 66.70 64.14 1fjc h VAL 36 Cb 2.00 2.73 -0.30 0.00 -1.52 0.00 0.00 31.29 34.19 1fjc h VAL 36 CO 0.20 0.85 0.75 0.49 0.02 0.00 0.00 177.57 179.88 1fjc n PHE 37 N -3.61 3.06 0.73 1.57 3.72 0.32 -4.69 117.46 118.57 1fjc n PHE 37 Ca -0.26 -2.48 0.07 0.00 -0.05 0.00 0.00 57.45 54.73 1fjc n PHE 37 Cb 1.06 -1.02 0.38 0.00 -0.94 0.00 0.00 39.48 38.96 1fjc n PHE 37 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1fjc n GLU 38 N -0.55 0.26 -0.71 -1.08 0.28 -1.02 -2.20 120.64 115.63 1fjc n GLU 38 Ca 0.52 0.12 0.08 0.00 -0.16 0.00 0.00 57.16 57.72 1fjc n GLU 38 Cb 0.33 -1.50 0.37 0.00 1.43 0.00 0.00 31.44 32.07 1fjc n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1fjc n ASP 39 N -1.22 5.03 -4.77 -1.84 -0.08 -1.26 -4.95 116.55 107.46 1fjc n ASP 39 Ca 0.08 -2.62 -0.32 0.00 -1.51 0.00 0.00 54.79 50.42 1fjc n ASP 39 Cb 0.10 -0.62 -0.07 0.00 2.34 0.00 0.00 41.12 42.87 1fjc n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fjc s ALA 40 N -2.18 4.11 -0.13 -1.67 0.00 -0.93 -4.31 121.76 116.64 1fjc s ALA 40 Ca 0.51 -0.59 -0.27 0.00 0.00 0.00 0.00 51.96 51.61 1fjc s ALA 40 Cb 0.35 -0.07 -0.24 0.00 0.00 0.00 0.00 23.12 23.16 1fjc s ALA 40 CO 0.21 -0.08 0.75 -0.07 0.00 0.00 0.00 175.76 176.56 1fjc h LEU 41 N 1.29 -0.00 -8.03 0.00 3.38 -0.40 -3.44 115.31 108.10 1fjc h LEU 41 Ca -0.43 -0.91 0.04 0.00 0.09 0.00 0.00 57.88 56.67 1fjc h LEU 41 Cb 1.31 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 1fjc h LEU 41 CO 0.72 0.94 0.20 -1.61 0.09 0.00 0.00 178.44 178.78 1fjc s GLU 42 N -2.28 1.83 0.04 1.13 2.02 -0.96 -5.03 118.70 115.46 1fjc s GLU 42 Ca -0.18 -1.09 0.03 0.00 0.02 0.00 0.00 54.97 53.75 1fjc s GLU 42 Cb -0.03 0.60 -0.02 0.00 0.10 0.00 0.00 34.13 34.78 1fjc s GLU 42 CO 0.65 -0.84 -0.09 0.42 0.02 0.00 0.00 175.26 175.42 1fjc s ILE 43 N -3.68 0.68 0.30 -1.63 1.01 -1.26 -1.14 121.20 115.48 1fjc s ILE 43 Ca 0.13 -1.05 0.11 0.00 0.00 0.00 0.00 60.65 59.84 1fjc s ILE 43 Cb -0.05 -0.70 -0.05 0.00 0.01 0.00 0.00 42.46 41.66 1fjc s ILE 43 CO 0.08 -0.29 -0.12 -0.13 0.00 0.00 0.00 174.94 174.49 1fjc s ARG 44 N -1.47 1.87 0.07 2.79 0.52 0.69 -4.86 118.95 118.56 1fjc s ARG 44 Ca -0.07 -1.73 0.07 0.00 -0.52 0.00 0.00 55.73 53.48 1fjc s ARG 44 Cb -0.09 -1.85 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 1fjc s ARG 44 CO 0.01 0.28 -0.16 -1.17 0.02 0.00 0.00 175.30 174.28 1fjc s LEU 45 N -3.58 2.75 -0.04 2.53 1.98 -1.26 -0.25 118.68 120.81 1fjc s LEU 45 Ca 0.31 -0.43 -0.01 0.00 -2.89 0.00 0.00 54.13 51.11 1fjc s LEU 45 Cb -0.03 -1.60 0.03 0.00 0.66 0.00 0.00 46.19 45.25 1fjc s LEU 45 CO 0.17 0.23 0.08 -0.69 -1.89 0.00 0.00 176.35 174.24 1fjc s VAL 46 N -1.03 -0.05 0.00 1.68 1.01 0.77 -4.75 120.40 118.02 1fjc s VAL 46 Ca 0.17 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1fjc s VAL 46 Cb -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1fjc s VAL 46 CO 0.08 0.08 0.00 -1.20 0.00 0.00 0.00 175.10 174.06 1fjc n SER 47 N 4.13 0.00 -2.50 3.32 7.64 -1.26 -0.27 113.62 124.68 1fjc n SER 47 Ca -0.26 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.30 1fjc n SER 47 Cb 0.51 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.74 1fjc n SER 47 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1fjc n GLN 48 N 0.00 3.17 -0.98 1.43 7.27 0.59 -4.58 117.38 124.28 1fjc n GLN 48 Ca 0.00 -4.00 0.00 0.00 0.07 0.00 0.00 57.00 53.07 1fjc n GLN 48 Cb 0.00 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 30.38 1fjc n GLN 48 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1fjc n ASP 49 N -0.60 -5.08 0.00 1.69 2.03 -1.26 -4.19 116.55 109.14 1fjc n ASP 49 Ca 0.47 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1fjc n ASP 49 Cb 0.60 -2.77 0.00 0.00 -0.72 0.00 0.00 41.12 38.22 1fjc n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fjc n GLY 50 N -0.01 0.00 0.00 0.27 0.00 -1.26 -5.14 105.19 99.05 1fjc n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fjc n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fjc n LYS 51 N 0.00 0.00 -1.29 1.61 4.81 -1.26 -5.12 118.16 116.91 1fjc n LYS 51 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 58.31 56.93 1fjc n LYS 51 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1fjc n LYS 51 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1fjc n SER 52 N 0.00 0.02 0.00 3.14 2.88 -1.26 -0.30 113.62 118.10 1fjc n SER 52 Ca 0.00 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1fjc n SER 52 Cb 0.00 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 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 1.34 3.33 -0.34 -1.46 0.00 -1.26 -4.66 118.16 115.11 1fjc n LYS 53 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.48 1fjc n LYS 53 Cb 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 35.03 34.39 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 1.58 1.55 3.61 3.14 0.00 -1.24 -4.57 105.19 109.26 1fjc n GLY 54 Ca 0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 3.26 0.05 -0.61 1.01 0.63 0.19 121.20 123.73 1fjc s ILE 55 Ca 0.00 -1.94 -0.27 0.00 0.00 0.00 0.00 60.65 58.44 1fjc s ILE 55 Cb 0.00 -2.72 0.09 0.00 0.01 0.00 0.00 42.46 39.84 1fjc s ILE 55 CO 0.00 -0.33 0.89 0.00 0.00 0.00 0.00 174.94 175.50 1fjc s ALA 56 N -2.24 -1.76 -0.24 9.38 0.00 0.37 0.27 121.76 127.54 1fjc s ALA 56 Ca 0.30 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 1fjc s ALA 56 Cb -0.07 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.58 1fjc s ALA 56 CO 0.18 -0.79 -0.07 0.71 0.00 0.00 0.00 175.76 175.80 1fjc s TYR 57 N -3.20 3.04 -0.23 0.00 2.02 0.65 0.26 117.35 119.89 1fjc s TYR 57 Ca 0.07 -1.51 -0.08 0.00 -0.37 0.00 0.00 57.07 55.17 1fjc s TYR 57 Cb -0.01 -2.05 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 1fjc s TYR 57 CO -0.06 -0.72 0.10 0.42 -1.57 0.00 0.00 175.55 173.72 1fjc s ILE 58 N 1.34 4.82 -0.34 2.71 -1.09 0.62 0.25 121.20 129.51 1fjc s ILE 58 Ca 0.01 -0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 1fjc s ILE 58 Cb -0.16 -3.23 0.09 0.00 -1.58 0.00 0.00 42.46 37.57 1fjc s ILE 58 CO -0.05 0.37 0.07 -1.83 -1.23 0.00 0.00 174.94 172.26 1fjc s GLU 59 N 1.12 1.98 0.88 2.79 -1.05 -0.29 0.38 118.70 124.51 1fjc s GLU 59 Ca 0.05 -1.64 -0.11 0.00 -0.15 0.00 0.00 54.97 53.13 1fjc s GLU 59 Cb -0.14 -3.28 0.18 0.00 -0.44 0.00 0.00 34.13 30.44 1fjc s GLU 59 CO 0.04 -0.86 1.21 -0.06 0.95 0.00 0.00 175.26 176.54 1fjc s PHE 60 N 1.09 1.56 -0.04 4.83 0.40 0.26 0.25 117.98 126.32 1fjc s PHE 60 Ca 0.04 0.09 0.21 0.00 -0.60 0.00 0.00 56.93 56.67 1fjc s PHE 60 Cb -0.21 -3.73 0.54 0.00 0.51 0.00 0.00 43.02 40.14 1fjc s PHE 60 CO -0.05 -2.34 1.66 -0.22 0.70 0.00 0.00 175.22 174.98 1fjc h LYS 61 N -1.26 0.00 -2.83 0.44 3.64 -1.82 -3.39 116.57 111.35 1fjc h LYS 61 Ca -0.41 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.01 1fjc h LYS 61 Cb 1.24 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.97 1fjc h LYS 61 CO 0.38 0.30 0.28 -1.12 -2.27 0.00 0.00 179.45 177.02 1fjc s SER 62 N -6.29 -0.41 0.40 4.20 0.01 -1.26 -4.98 113.70 105.37 1fjc s SER 62 Ca 0.03 -0.23 0.11 0.00 1.31 0.00 0.00 55.95 57.17 1fjc s SER 62 Cb 0.09 0.60 0.93 0.00 0.21 0.00 0.00 66.02 67.84 1fjc s SER 62 CO 0.68 -1.03 1.94 -0.08 0.41 0.00 0.00 173.24 175.16 1fjc h GLU 63 N 2.00 0.53 -0.72 12.44 4.81 -1.87 -0.27 114.58 131.50 1fjc h GLU 63 Ca -0.27 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 1fjc h GLU 63 Cb 1.27 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 1fjc h GLU 63 CO 0.31 0.35 0.35 0.00 -0.73 0.00 0.00 179.01 179.29 1fjc h ALA 64 N 1.65 0.93 0.24 2.92 0.00 -1.95 1.69 119.26 124.73 1fjc h ALA 64 Ca 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1fjc h ALA 64 Cb 0.56 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1fjc h ALA 64 CO -0.11 0.49 -0.12 -0.44 0.00 0.00 0.00 179.25 179.07 1fjc h ASP 65 N 1.01 -0.28 -0.02 0.00 3.32 -1.46 0.23 116.42 119.22 1fjc h ASP 65 Ca 0.25 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1fjc h ASP 65 Cb 0.11 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1fjc h ASP 65 CO -0.03 0.17 -0.01 0.00 -1.72 0.00 0.00 179.24 177.64 1fjc h ALA 66 N -0.24 1.84 -0.03 3.45 0.00 -0.99 -0.57 119.26 122.72 1fjc h ALA 66 Ca -0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1fjc h ALA 66 Cb 0.51 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1fjc h ALA 66 CO 0.05 0.13 -0.31 1.49 0.00 0.00 0.00 179.25 180.61 1fjc h GLU 67 N 0.10 0.26 -0.84 0.00 4.81 0.27 0.12 114.58 119.30 1fjc h GLU 67 Ca 0.03 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1fjc h GLU 67 Cb 0.10 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1fjc h GLU 67 CO 0.00 0.93 0.52 -0.22 -0.73 0.00 0.00 179.01 179.51 1fjc h LYS 68 N -0.32 1.13 -0.19 1.92 1.63 -0.16 0.28 116.57 120.85 1fjc h LYS 68 Ca -0.03 -0.09 -0.18 0.00 -0.85 0.00 0.00 60.65 59.50 1fjc h LYS 68 Cb 1.02 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1fjc h LYS 68 CO 0.06 0.78 -0.58 -0.91 -3.45 0.00 0.00 179.45 175.36 1fjc h ASN 69 N 1.15 0.84 0.66 4.20 2.35 -1.14 0.71 115.58 124.35 1fjc h ASN 69 Ca 0.30 -0.59 -0.03 0.00 -0.55 0.00 0.00 56.30 55.43 1fjc h ASN 69 Cb -0.07 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.05 1fjc h ASN 69 CO -0.06 1.28 -0.16 0.25 -1.65 0.00 0.00 177.43 177.09 1fjc h LEU 70 N 0.45 0.00 0.00 1.61 5.85 -0.33 2.09 115.31 124.98 1fjc h LEU 70 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1fjc h LEU 70 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1fjc h LEU 70 CO 0.12 0.16 -1.60 -0.62 -0.34 0.00 0.00 178.44 176.17 1fjc n GLU 71 N -3.46 0.61 -0.00 1.25 1.02 0.96 -3.62 120.64 117.39 1fjc n GLU 71 Ca -0.01 -0.12 0.03 0.00 -0.02 0.00 0.00 57.16 57.04 1fjc n GLU 71 Cb 0.33 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 1fjc n GLU 71 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1fjc n GLU 72 N -1.96 2.83 -0.01 3.49 2.13 0.25 -4.64 120.64 122.73 1fjc n GLU 72 Ca -0.01 -0.03 0.06 0.00 0.66 0.00 0.00 57.16 57.85 1fjc n GLU 72 Cb 0.45 -0.94 -0.10 0.00 0.27 0.00 0.00 31.44 31.12 1fjc n GLU 72 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1fjc n LYS 73 N -1.40 0.54 -1.52 5.31 3.00 0.70 -4.82 118.16 119.98 1fjc n LYS 73 Ca 0.00 -0.11 -0.20 0.00 -0.00 0.00 0.00 58.31 58.00 1fjc n LYS 73 Cb 0.12 -1.30 -0.18 0.00 0.00 0.00 0.00 35.03 33.67 1fjc n LYS 73 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1fjc n GLN 74 N -1.91 0.17 0.00 1.64 -0.06 -1.11 -1.76 117.38 114.34 1fjc n GLN 74 Ca -0.02 -0.24 0.00 0.00 -2.00 0.00 0.00 57.00 54.74 1fjc n GLN 74 Cb 0.33 -1.80 0.00 0.00 -4.06 0.00 0.00 30.24 24.71 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 5.90 2.10 2.99 1.69 0.00 0.21 -4.93 105.19 113.14 1fjc n GLY 75 Ca 0.62 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.38 -1.85 4.61 0.00 -0.73 0.27 120.51 121.44 1fjc n ALA 76 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1fjc n ALA 76 Cb 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 19.45 18.91 1fjc n ALA 76 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1fjc s GLU 77 N -0.38 2.08 0.33 0.00 2.02 -1.26 -3.75 118.70 117.74 1fjc s GLU 77 Ca 0.00 -0.18 0.05 0.00 0.02 0.00 0.00 54.97 54.86 1fjc s GLU 77 Cb 0.00 -4.99 -0.02 0.00 0.10 0.00 0.00 34.13 29.22 1fjc s GLU 77 CO 0.00 -4.05 0.33 0.42 0.02 0.00 0.00 175.26 171.98 1fjc s ILE 78 N 12.53 0.00 -0.93 -1.63 1.09 0.50 -4.79 121.20 127.97 1fjc s ILE 78 Ca 0.78 -1.89 0.00 0.00 -1.10 0.00 0.00 60.65 58.44 1fjc s ILE 78 Cb -0.08 -2.54 0.00 0.00 -1.06 0.00 0.00 42.46 38.78 1fjc s ILE 78 CO 0.06 0.00 0.00 -0.67 -0.10 0.00 0.00 174.94 174.23 1fjc n ASP 79 N -1.49 -3.25 -2.17 3.58 -0.08 -1.26 0.10 116.55 111.99 1fjc n ASP 79 Ca 0.06 0.25 -0.16 0.00 -1.51 0.00 0.00 54.79 53.42 1fjc n ASP 79 Cb 0.62 -2.86 0.02 0.00 2.34 0.00 0.00 41.12 41.24 1fjc n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1fjc n GLY 80 N -0.61 -0.23 0.00 0.27 0.00 -1.26 -4.93 105.19 98.43 1fjc n GLY 80 Ca -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1fjc n GLY 80 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1fjc n ARG 81 N -3.01 -0.77 -3.66 1.61 1.85 0.28 -5.15 116.66 107.80 1fjc n ARG 81 Ca -0.11 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.44 1fjc n ARG 81 Cb 0.60 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.97 1fjc n ARG 81 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1fjc s SER 82 N 0.00 6.46 -0.10 2.89 1.04 -1.26 -0.37 113.70 122.36 1fjc s SER 82 Ca 0.00 0.54 -0.02 0.00 0.48 0.00 0.00 55.95 56.95 1fjc s SER 82 Cb 0.00 -2.07 -0.03 0.00 0.10 0.00 0.00 66.02 64.02 1fjc s SER 82 CO 0.00 0.01 0.00 0.54 0.98 0.00 0.00 173.24 174.77 1fjc s VAL 83 N -1.75 4.32 0.39 5.02 0.11 0.76 -4.65 120.40 124.60 1fjc s VAL 83 Ca 0.40 -0.24 -0.04 0.00 -2.93 0.00 0.00 61.98 59.18 1fjc s VAL 83 Cb -0.12 -2.83 -0.04 0.00 -1.53 0.00 0.00 36.38 31.87 1fjc s VAL 83 CO 0.26 0.59 0.66 -0.44 -3.33 0.00 0.00 175.10 172.84 1fjc s SER 84 N -0.73 6.33 -0.12 3.54 0.01 0.70 0.64 113.70 124.06 1fjc s SER 84 Ca 0.12 0.75 -0.00 0.00 1.31 0.00 0.00 55.95 58.12 1fjc s SER 84 Cb -0.12 -2.16 0.02 0.00 0.21 0.00 0.00 66.02 63.97 1fjc s SER 84 CO 0.02 -0.39 -0.09 -0.76 0.41 0.00 0.00 173.24 172.43 1fjc s LEU 85 N -4.28 1.33 -0.57 2.44 1.43 -1.26 0.58 118.68 118.34 1fjc s LEU 85 Ca 0.45 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1fjc s LEU 85 Cb -0.10 -0.91 0.15 0.00 0.03 0.00 0.00 46.19 45.35 1fjc s LEU 85 CO 0.38 -0.09 0.39 -0.31 0.23 0.00 0.00 176.35 176.95 1fjc s TYR 86 N 1.58 3.47 0.27 0.29 1.51 0.70 -4.89 117.35 120.29 1fjc s TYR 86 Ca 0.03 -2.53 -0.04 0.00 -1.01 0.00 0.00 57.07 53.53 1fjc s TYR 86 Cb -0.13 -3.27 0.06 0.00 -0.11 0.00 0.00 41.96 38.51 1fjc s TYR 86 CO -0.08 -0.89 0.13 0.98 -1.11 0.00 0.00 175.55 174.57 1fjc n TYR 87 N 3.90 -1.51 -3.08 2.71 9.36 -1.26 0.26 117.16 127.54 1fjc n TYR 87 Ca 0.04 -0.04 0.05 0.00 3.32 0.00 0.00 57.90 61.27 1fjc n TYR 87 Cb 0.39 -0.34 0.00 0.00 -0.63 0.00 0.00 39.34 38.76 1fjc n TYR 87 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1fjc s THR 88 N -0.94 -0.33 0.00 2.97 -4.23 -0.96 -4.24 115.64 107.91 1fjc s THR 88 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 1fjc s THR 88 Cb -0.02 -0.26 0.00 0.00 1.34 0.00 0.00 72.50 73.56 1fjc s THR 88 CO 0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 1fjc n GLY 89 N 4.85 0.18 0.00 3.99 0.00 -1.26 -3.72 105.19 109.24 1fjc n GLY 89 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.21 1.61 2.13 -1.26 -4.53 120.64 116.38 1fjc n GLU 90 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 1fjc n GLU 90 Cb 0.00 -0.02 -0.01 0.00 0.27 0.00 0.00 31.44 31.68 1fjc n GLU 90 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1fjc n LYS 91 N -1.46 -2.35 -0.76 5.31 4.81 -1.26 -4.80 118.16 117.65 1fjc n LYS 91 Ca 0.00 0.01 -0.34 0.00 -0.87 0.00 0.00 58.31 57.11 1fjc n LYS 91 Cb 0.00 -3.45 0.13 0.00 0.02 0.00 0.00 35.03 31.74 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 -0.44 -2.61 3.19 3.14 0.00 -1.26 -4.03 105.19 103.19 1fjc n GLY 92 Ca 0.01 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 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 2.23 -0.73 3.12 -0.02 0.00 -1.26 -4.89 105.19 103.64 1fjc n GLY 93 Ca 0.01 0.63 -0.37 0.00 0.00 0.00 0.00 46.02 46.29 1fjc n GLY 93 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fjc s THR 94 N -1.45 4.31 -0.49 2.61 -1.32 -1.26 -5.04 115.64 113.00 1fjc s THR 94 Ca 0.16 -3.54 -0.46 0.00 -1.21 0.00 0.00 61.69 56.65 1fjc s THR 94 Cb -0.02 -3.70 -0.19 0.00 -1.51 0.00 0.00 72.50 67.07 1fjc s THR 94 CO 0.51 -1.03 1.65 0.54 -2.21 0.00 0.00 174.62 174.08 1fjc n ARG 95 N 2.74 0.00 0.00 7.08 1.74 -1.26 -5.27 116.66 121.68 1fjc n ARG 95 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1fjc n ARG 95 Cb 0.38 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52