#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 -1.69 -3.96 1.43 8.25 -1.26 -5.03 115.22 112.96 1fjc n HIS 2 Ca 0.00 0.90 -0.10 0.00 -0.26 0.00 0.00 57.72 58.26 1fjc n HIS 2 Cb 0.00 -2.17 -0.03 0.00 1.12 0.00 0.00 29.99 28.91 1fjc n HIS 2 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fjc s MET 3 N -0.67 1.76 0.00 -0.41 0.00 -1.26 -5.17 119.30 113.54 1fjc s MET 3 Ca -0.07 -1.32 0.00 0.00 0.00 0.00 0.00 55.69 54.30 1fjc s MET 3 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 34.83 35.35 1fjc s MET 3 CO 0.31 -0.76 0.00 1.28 0.00 0.00 0.00 175.02 175.85 1fjc n LEU 4 N -0.45 0.00 0.00 0.18 4.32 -1.26 -5.09 117.00 114.70 1fjc n LEU 4 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 1fjc n LEU 4 Cb 0.61 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 1fjc n LEU 4 CO 0.23 0.00 0.00 -0.62 -1.22 0.00 0.00 177.39 175.78 1fjc n GLU 5 N 0.00 2.85 -1.58 3.23 1.02 -1.26 -4.67 120.64 120.23 1fjc n GLU 5 Ca 0.00 0.00 -0.58 0.00 -0.02 0.00 0.00 57.16 56.56 1fjc n GLU 5 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1fjc n GLU 5 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1fjc n ASP 6 N 0.00 0.85 -0.96 1.62 -0.08 -1.26 -4.77 116.55 111.95 1fjc n ASP 6 Ca 0.00 1.14 -0.01 0.00 -1.51 0.00 0.00 54.79 54.41 1fjc n ASP 6 Cb 0.00 -1.02 0.04 0.00 2.34 0.00 0.00 41.12 42.48 1fjc n ASP 6 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1fjc n PRO 7 N 2.44 1.37 0.00 -0.67 -0.04 -1.26 -4.35 135.00 132.49 1fjc n PRO 7 Ca 0.21 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1fjc n PRO 7 Cb 0.10 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.76 0.00 -2.68 0.00 -1.04 -1.26 -4.79 114.28 102.75 1fjc n THR 9 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1fjc n THR 9 Cb 0.00 -0.26 0.05 0.00 -1.82 0.00 0.00 70.33 68.30 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 -0.08 0.90 0.00 8.00 2.88 -1.26 -4.93 113.62 119.12 1fjc n SER 10 Ca 0.00 -2.61 0.00 0.00 -1.33 0.00 0.00 58.87 54.93 1fjc n SER 10 Cb 0.04 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1fjc n SER 10 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1fjc n LYS 11 N -0.21 0.00 -0.01 -1.46 4.01 -1.26 0.17 118.16 119.41 1fjc n LYS 11 Ca 0.07 0.62 0.06 0.00 -0.51 0.00 0.00 58.31 58.55 1fjc n LYS 11 Cb 0.82 -1.32 0.37 0.00 -0.51 0.00 0.00 35.03 34.40 1fjc n LYS 11 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1fjc n LYS 12 N -1.94 1.04 -0.03 1.97 2.85 -1.26 -2.92 118.16 117.87 1fjc n LYS 12 Ca 0.00 -0.06 0.06 0.00 -1.05 0.00 0.00 58.31 57.25 1fjc n LYS 12 Cb 0.00 -1.21 -0.16 0.00 -0.65 0.00 0.00 35.03 33.01 1fjc n LYS 12 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1fjc n VAL 13 N -0.64 0.31 0.06 0.58 0.31 -0.43 -4.28 118.33 114.25 1fjc n VAL 13 Ca 0.10 -0.56 -0.09 0.00 -0.01 0.00 0.00 64.34 63.78 1fjc n VAL 13 Cb 0.06 -0.10 -0.12 0.00 -0.91 0.00 0.00 33.84 32.77 1fjc n VAL 13 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1fjc h ARG 14 N 0.00 0.05 0.00 5.55 9.65 0.19 -3.16 114.38 126.65 1fjc h ARG 14 Ca -0.12 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 1fjc h ARG 14 Cb 1.26 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 1fjc h ARG 14 CO 0.01 1.01 0.00 0.00 2.80 0.00 0.00 179.97 183.78 1fjc n ALA 15 N -2.40 1.97 0.11 2.80 0.00 -1.24 -3.03 120.51 118.72 1fjc n ALA 15 Ca -0.03 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 1fjc n ALA 15 Cb 0.96 -1.32 -0.15 0.00 0.00 0.00 0.00 19.45 18.94 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 2.81 0.04 -0.50 0.00 0.00 -1.73 -1.03 119.26 118.84 1fjc h ALA 16 Ca 0.00 -0.95 -0.18 0.00 0.00 0.00 0.00 54.91 53.79 1fjc h ALA 16 Cb 0.27 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 1fjc h ALA 16 CO 0.00 0.91 0.22 2.89 0.00 0.00 0.00 179.25 183.27 1fjc n ARG 17 N -3.59 2.52 -3.86 0.00 0.00 -1.17 -3.80 116.66 106.75 1fjc n ARG 17 Ca -0.15 -1.90 -0.11 0.00 -0.00 0.00 0.00 57.85 55.69 1fjc n ARG 17 Cb 1.07 -1.84 -0.09 0.00 -0.00 0.00 0.00 32.46 31.59 1fjc n ARG 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1fjc s THR 18 N -2.06 0.09 0.05 8.89 2.01 -1.23 0.25 115.64 123.65 1fjc s THR 18 Ca 0.34 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.50 1fjc s THR 18 Cb 0.28 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 72.22 1fjc s THR 18 CO 0.08 -0.41 0.19 -1.48 -0.69 0.00 0.00 174.62 172.31 1fjc s LEU 19 N -1.57 1.38 -0.25 4.42 0.05 0.30 -3.59 118.68 119.43 1fjc s LEU 19 Ca -0.12 -0.46 -0.16 0.00 0.05 0.00 0.00 54.13 53.44 1fjc s LEU 19 Cb -0.06 0.98 -0.04 0.00 -2.05 0.00 0.00 46.19 45.03 1fjc s LEU 19 CO 0.00 -0.61 0.41 -0.22 -0.55 0.00 0.00 176.35 175.38 1fjc s LEU 20 N -2.33 4.07 0.34 1.48 2.96 0.72 0.25 118.68 126.18 1fjc s LEU 20 Ca -0.02 0.39 -0.26 0.00 -0.22 0.00 0.00 54.13 54.02 1fjc s LEU 20 Cb 0.01 -2.49 -0.09 0.00 0.50 0.00 0.00 46.19 44.11 1fjc s LEU 20 CO -0.06 -0.17 1.03 0.00 -1.32 0.00 0.00 176.35 175.83 1fjc s ALA 21 N 1.91 3.20 0.26 5.97 0.00 0.71 0.28 121.76 134.09 1fjc s ALA 21 Ca 0.17 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.86 1fjc s ALA 21 Cb -0.15 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1fjc s ALA 21 CO 0.09 -0.10 0.18 0.21 0.00 0.00 0.00 175.76 176.14 1fjc s LYS 22 N -2.07 1.45 -0.19 0.00 2.20 0.68 0.11 119.74 121.92 1fjc s LYS 22 Ca 0.52 -1.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.33 1fjc s LYS 22 Cb -0.24 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 1fjc s LYS 22 CO 0.30 -0.47 0.00 -1.71 -0.36 0.00 0.00 175.35 173.11 1fjc n ASN 23 N -0.78 -5.04 -4.76 1.43 5.15 0.99 -0.72 115.26 111.51 1fjc n ASN 23 Ca 0.03 0.04 -0.39 0.00 -0.60 0.00 0.00 54.58 53.67 1fjc n ASN 23 Cb 0.65 -2.70 0.00 0.00 -0.53 0.00 0.00 39.78 37.20 1fjc n ASN 23 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1fjc s LEU 24 N -0.41 4.10 0.00 1.20 0.20 0.18 -4.80 118.68 119.16 1fjc s LEU 24 Ca 0.00 2.61 0.02 0.00 0.69 0.00 0.00 54.13 57.45 1fjc s LEU 24 Cb 0.00 -4.04 0.06 0.00 -0.43 0.00 0.00 46.19 41.78 1fjc s LEU 24 CO 0.00 -1.00 0.44 -0.24 -0.29 0.00 0.00 176.35 175.26 1fjc n SER 25 N -0.22 0.80 -0.01 3.68 2.88 -1.26 -3.50 113.62 115.99 1fjc n SER 25 Ca 0.06 -1.63 0.13 0.00 -1.33 0.00 0.00 58.87 56.10 1fjc n SER 25 Cb 0.45 -0.27 0.48 0.00 -0.75 0.00 0.00 64.21 64.11 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 -1.90 0.00 -0.03 0.66 3.01 -1.26 -3.84 117.46 114.10 1fjc n PHE 26 Ca 0.08 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.33 1fjc n PHE 26 Cb 0.29 -0.38 -0.13 0.00 -0.01 0.00 0.00 39.48 39.25 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 -1.46 2.06 -3.83 4.37 2.85 -1.26 -4.94 115.26 113.05 1fjc n ASN 27 Ca 0.07 0.21 -0.22 0.00 -0.11 0.00 0.00 54.58 54.52 1fjc n ASN 27 Cb 0.33 -0.83 0.12 0.00 1.24 0.00 0.00 39.78 40.64 1fjc n ASN 27 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1fjc n ILE 28 N -3.64 0.00 -3.84 -1.44 5.41 -1.25 -5.02 119.36 109.59 1fjc n ILE 28 Ca -0.34 -0.09 -0.02 0.00 1.00 0.00 0.00 62.75 63.30 1fjc n ILE 28 Cb 0.98 -0.39 0.02 0.00 -0.71 0.00 0.00 39.64 39.53 1fjc n ILE 28 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1fjc n THR 29 N -4.13 0.00 -0.34 1.39 -2.24 -1.26 -4.96 114.28 102.74 1fjc n THR 29 Ca 0.03 -0.40 0.08 0.00 -2.27 0.00 0.00 64.05 61.49 1fjc n THR 29 Cb 0.44 0.60 0.27 0.00 -2.10 0.00 0.00 70.33 69.53 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 0.91 -0.75 -0.78 4.81 -1.97 0.02 114.58 116.83 1fjc h GLU 30 Ca -0.21 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1fjc h GLU 30 Cb 0.96 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 1fjc h GLU 30 CO 0.29 0.60 0.39 -0.44 -0.73 0.00 0.00 179.01 179.12 1fjc h ASP 31 N 0.94 0.96 -0.16 1.04 5.19 -1.95 1.99 116.42 124.43 1fjc h ASP 31 Ca 0.47 -0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.74 1fjc h ASP 31 Cb 0.50 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1fjc h ASP 31 CO -0.24 0.80 0.00 -0.08 -3.12 0.00 0.00 179.24 176.60 1fjc h GLU 32 N 1.04 0.29 -0.04 3.56 4.57 -1.44 1.91 114.58 124.46 1fjc h GLU 32 Ca 0.26 -0.09 -0.14 0.00 -1.18 0.00 0.00 59.36 58.21 1fjc h GLU 32 Cb 0.08 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1fjc h GLU 32 CO -0.04 0.51 -0.60 -0.07 -1.18 0.00 0.00 179.01 177.63 1fjc h LEU 33 N 0.03 0.17 -0.01 1.64 4.07 -0.86 0.15 115.31 120.50 1fjc h LEU 33 Ca 0.05 -0.09 -0.04 0.00 0.08 0.00 0.00 57.88 57.87 1fjc h LEU 33 Cb 0.38 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1fjc h LEU 33 CO 0.01 0.72 -0.20 0.50 -1.08 0.00 0.00 178.44 178.39 1fjc h LYS 34 N 0.11 0.00 0.02 1.13 3.64 0.35 0.11 116.57 121.92 1fjc h LYS 34 Ca -0.01 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 1fjc h LYS 34 Cb 1.08 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1fjc h LYS 34 CO 0.09 0.20 -1.35 1.49 -2.27 0.00 0.00 179.45 177.61 1fjc h GLU 35 N 0.00 0.04 0.19 1.90 4.81 0.35 -2.84 114.58 119.02 1fjc h GLU 35 Ca -0.00 -0.06 -0.33 0.00 -0.13 0.00 0.00 59.36 58.84 1fjc h GLU 35 Cb 1.15 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.57 1fjc h GLU 35 CO 0.03 0.82 -1.61 0.28 -0.73 0.00 0.00 179.01 177.80 1fjc h VAL 36 N 0.01 1.04 -0.70 0.32 2.07 -0.69 -3.31 116.25 114.99 1fjc h VAL 36 Ca -0.15 -2.53 -0.38 0.00 0.82 0.00 0.00 66.70 64.45 1fjc h VAL 36 Cb 1.90 2.84 -0.21 0.00 -1.52 0.00 0.00 31.29 34.29 1fjc h VAL 36 CO 0.11 0.82 0.49 0.49 0.02 0.00 0.00 177.57 179.50 1fjc n PHE 37 N -3.69 2.18 0.07 1.57 3.72 0.02 -4.58 117.46 116.74 1fjc n PHE 37 Ca -0.23 -1.61 0.19 0.00 -0.05 0.00 0.00 57.45 55.75 1fjc n PHE 37 Cb 1.05 -0.81 0.52 0.00 -0.94 0.00 0.00 39.48 39.29 1fjc n PHE 37 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1fjc h GLU 38 N 0.86 0.00 -0.07 -1.08 4.81 -1.59 2.09 114.58 119.61 1fjc h GLU 38 Ca 0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 1fjc h GLU 38 Cb 2.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.46 1fjc h GLU 38 CO 0.83 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 175.64 1fjc n ASP 39 N -3.19 0.97 -2.64 1.04 2.03 -1.26 -4.86 116.55 108.63 1fjc n ASP 39 Ca 0.10 -1.50 -0.05 0.00 0.52 0.00 0.00 54.79 53.86 1fjc n ASP 39 Cb 0.96 -0.04 0.02 0.00 -0.72 0.00 0.00 41.12 41.34 1fjc n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fjc n ALA 40 N -0.18 0.14 -0.09 -1.67 0.00 0.71 -4.27 120.51 115.16 1fjc n ALA 40 Ca 0.17 -0.48 -0.19 0.00 0.00 0.00 0.00 53.44 52.94 1fjc n ALA 40 Cb 0.23 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 1fjc n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fjc n LEU 41 N 0.00 1.38 -4.16 0.00 4.77 0.60 -4.71 117.00 114.89 1fjc n LEU 41 Ca 0.04 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.16 1fjc n LEU 41 Cb 0.14 -0.57 -0.10 0.00 -2.33 0.00 0.00 43.42 40.56 1fjc n LEU 41 CO 0.09 0.31 -0.37 -1.61 -1.33 0.00 0.00 177.39 174.48 1fjc s GLU 42 N -2.38 0.80 0.06 3.23 2.02 -0.82 -5.01 118.70 116.60 1fjc s GLU 42 Ca -0.26 -1.32 0.07 0.00 0.02 0.00 0.00 54.97 53.47 1fjc s GLU 42 Cb 0.10 -0.10 -0.03 0.00 0.10 0.00 0.00 34.13 34.20 1fjc s GLU 42 CO 0.33 -0.05 -0.18 0.42 0.02 0.00 0.00 175.26 175.80 1fjc s ILE 43 N -3.71 1.47 0.07 -1.63 -1.09 -1.26 -1.13 121.20 113.92 1fjc s ILE 43 Ca 0.12 -1.23 0.03 0.00 -2.23 0.00 0.00 60.65 57.35 1fjc s ILE 43 Cb 0.06 -1.31 -0.03 0.00 -1.58 0.00 0.00 42.46 39.60 1fjc s ILE 43 CO -0.05 0.05 -0.10 -0.13 -1.23 0.00 0.00 174.94 173.48 1fjc s ARG 44 N -1.37 0.73 0.06 2.79 0.52 0.35 -4.91 118.95 117.11 1fjc s ARG 44 Ca 0.05 -0.99 0.07 0.00 -0.52 0.00 0.00 55.73 54.34 1fjc s ARG 44 Cb -0.09 -0.48 -0.03 0.00 0.52 0.00 0.00 34.95 34.87 1fjc s ARG 44 CO 0.02 0.08 -0.17 -1.17 0.02 0.00 0.00 175.30 174.08 1fjc s LEU 45 N -2.05 2.67 -0.04 2.53 1.98 -1.26 -0.20 118.68 122.32 1fjc s LEU 45 Ca -0.01 -0.45 -0.01 0.00 -2.89 0.00 0.00 54.13 50.78 1fjc s LEU 45 Cb -0.06 -1.55 0.03 0.00 0.66 0.00 0.00 46.19 45.26 1fjc s LEU 45 CO 0.00 0.23 0.01 -0.69 -1.89 0.00 0.00 176.35 174.02 1fjc s VAL 46 N -1.00 0.15 0.00 1.68 1.01 0.78 -4.74 120.40 118.28 1fjc s VAL 46 Ca 0.16 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1fjc s VAL 46 Cb -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.98 1fjc s VAL 46 CO 0.07 0.18 0.00 -1.54 0.00 0.00 0.00 175.10 173.81 1fjc n SER 47 N 4.61 1.61 -1.72 3.32 3.41 -1.26 -0.50 113.62 123.08 1fjc n SER 47 Ca -0.17 -0.12 -0.13 0.00 -0.26 0.00 0.00 58.87 58.19 1fjc n SER 47 Cb 0.50 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.50 1fjc n SER 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fjc n GLN 48 N -0.02 1.63 -2.03 4.33 10.64 -0.19 -4.66 117.38 127.08 1fjc n GLN 48 Ca 0.00 -1.32 -0.18 0.00 -1.83 0.00 0.00 57.00 53.67 1fjc n GLN 48 Cb 0.00 -1.52 -0.03 0.00 -0.86 0.00 0.00 30.24 27.83 1fjc n GLN 48 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1fjc n ASP 49 N 0.25 -5.18 0.00 2.61 9.92 -1.26 -4.45 116.55 118.44 1fjc n ASP 49 Ca 0.26 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.67 1fjc n ASP 49 Cb 0.72 -4.26 0.00 0.00 -0.64 0.00 0.00 41.12 36.94 1fjc n ASP 49 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fjc n GLY 50 N -0.93 0.00 3.43 0.44 0.00 -1.26 -5.14 105.19 101.72 1fjc n GLY 50 Ca -0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 1fjc n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fjc s LYS 51 N -0.16 0.77 0.04 1.61 1.02 -1.26 -5.11 119.74 116.64 1fjc s LYS 51 Ca 0.00 0.42 -0.33 0.00 0.02 0.00 0.00 55.97 56.08 1fjc s LYS 51 Cb 0.00 0.36 -0.17 0.00 -0.52 0.00 0.00 37.83 37.50 1fjc s LYS 51 CO 0.00 -0.17 0.84 0.45 -0.92 0.00 0.00 175.35 175.55 1fjc n SER 52 N 1.93 -0.27 -0.00 2.83 2.88 -1.26 -1.02 113.62 118.71 1fjc n SER 52 Ca -0.17 1.02 -0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1fjc n SER 52 Cb 0.56 -0.82 -0.01 0.00 -0.75 0.00 0.00 64.21 63.19 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 1.23 3.03 0.00 -1.46 0.00 -1.25 -4.57 118.16 115.13 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 0.11 -1.02 0.00 0.00 0.00 0.00 0.00 35.03 34.12 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 2.84 1.74 3.62 3.14 0.00 -1.23 -4.74 105.19 110.57 1fjc n GLY 54 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 2.58 0.02 -0.61 -1.09 0.34 -0.01 121.20 120.43 1fjc s ILE 55 Ca 0.00 -2.01 -0.29 0.00 -2.23 0.00 0.00 60.65 56.13 1fjc s ILE 55 Cb 0.00 -2.77 0.10 0.00 -1.58 0.00 0.00 42.46 38.20 1fjc s ILE 55 CO 0.00 -0.20 1.07 0.00 -1.23 0.00 0.00 174.94 174.58 1fjc s ALA 56 N -2.53 -1.91 -0.19 9.38 0.00 0.31 0.28 121.76 127.10 1fjc s ALA 56 Ca 0.34 0.70 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 1fjc s ALA 56 Cb 0.00 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.53 1fjc s ALA 56 CO 0.19 -0.90 -0.14 0.71 0.00 0.00 0.00 175.76 175.62 1fjc s TYR 57 N -2.89 2.83 -0.19 0.00 2.02 0.73 0.25 117.35 120.10 1fjc s TYR 57 Ca 0.11 -1.32 -0.05 0.00 -0.37 0.00 0.00 57.07 55.44 1fjc s TYR 57 Cb 0.00 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 1fjc s TYR 57 CO -0.03 -0.67 -0.00 0.42 -1.57 0.00 0.00 175.55 173.70 1fjc s ILE 58 N 1.26 4.04 -0.16 2.71 -1.09 0.70 0.13 121.20 128.78 1fjc s ILE 58 Ca 0.03 -0.29 -0.01 0.00 -2.23 0.00 0.00 60.65 58.15 1fjc s ILE 58 Cb -0.14 -2.81 -0.00 0.00 -1.58 0.00 0.00 42.46 37.93 1fjc s ILE 58 CO -0.08 0.45 -0.13 -1.61 -1.23 0.00 0.00 174.94 172.34 1fjc s GLU 59 N 0.76 3.27 0.46 2.79 0.41 -0.29 0.11 118.70 126.21 1fjc s GLU 59 Ca 0.00 -0.71 0.06 0.00 -0.41 0.00 0.00 54.97 53.91 1fjc s GLU 59 Cb -0.14 -2.70 -0.02 0.00 -1.78 0.00 0.00 34.13 29.49 1fjc s GLU 59 CO 0.02 -0.00 0.26 -0.06 -0.49 0.00 0.00 175.26 174.99 1fjc s PHE 60 N 0.88 2.29 0.19 1.61 0.40 0.70 0.22 117.98 124.28 1fjc s PHE 60 Ca -0.03 -0.67 0.27 0.00 -0.60 0.00 0.00 56.93 55.90 1fjc s PHE 60 Cb -0.15 -1.96 1.15 0.00 0.51 0.00 0.00 43.02 42.57 1fjc s PHE 60 CO -0.01 -0.04 1.92 -0.22 0.70 0.00 0.00 175.22 177.57 1fjc h LYS 61 N 1.17 0.00 -2.56 0.44 3.11 -1.78 -3.42 116.57 113.52 1fjc h LYS 61 Ca -0.41 0.00 0.06 0.00 -2.81 0.00 0.00 60.65 57.49 1fjc h LYS 61 Cb 1.27 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 32.37 1fjc h LYS 61 CO 0.65 0.15 0.39 -1.12 -2.81 0.00 0.00 179.45 176.70 1fjc s SER 62 N -6.05 -0.43 0.35 4.20 0.01 -1.26 -4.97 113.70 105.56 1fjc s SER 62 Ca -0.00 -0.03 0.09 0.00 1.31 0.00 0.00 55.95 57.32 1fjc s SER 62 Cb 0.10 0.47 0.83 0.00 0.21 0.00 0.00 66.02 67.64 1fjc s SER 62 CO 0.60 -0.77 1.85 -0.08 0.41 0.00 0.00 173.24 175.25 1fjc h GLU 63 N 2.00 0.66 -0.72 12.44 4.81 -1.85 0.16 114.58 132.08 1fjc h GLU 63 Ca -0.26 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.88 1fjc h GLU 63 Cb 1.27 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 1fjc h GLU 63 CO 0.33 0.44 0.28 0.00 -0.73 0.00 0.00 179.01 179.32 1fjc h ALA 64 N 1.60 1.13 0.31 2.92 0.00 -1.95 2.13 119.26 125.40 1fjc h ALA 64 Ca 0.48 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1fjc h ALA 64 Cb 0.80 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1fjc h ALA 64 CO -0.23 0.62 -0.15 -0.44 0.00 0.00 0.00 179.25 179.05 1fjc h ASP 65 N 1.04 -0.36 -0.79 0.00 5.19 -1.11 1.24 116.42 121.64 1fjc h ASP 65 Ca 0.24 -0.18 -0.03 0.00 -0.62 0.00 0.00 57.03 56.44 1fjc h ASP 65 Cb 0.21 0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.78 1fjc h ASP 65 CO -0.02 0.03 0.36 0.00 -3.12 0.00 0.00 179.24 176.49 1fjc h ALA 66 N -0.29 1.02 -0.19 3.45 0.00 -0.95 -0.04 119.26 122.26 1fjc h ALA 66 Ca -0.04 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1fjc h ALA 66 Cb 0.51 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1fjc h ALA 66 CO 0.07 0.60 -0.19 1.49 0.00 0.00 0.00 179.25 181.23 1fjc h GLU 67 N 1.12 0.46 -0.87 0.00 4.22 0.36 -0.26 114.58 119.61 1fjc h GLU 67 Ca 0.27 -0.24 0.01 0.00 0.08 0.00 0.00 59.36 59.47 1fjc h GLU 67 Cb 0.15 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1fjc h GLU 67 CO -0.03 0.81 0.56 -0.22 -2.18 0.00 0.00 179.01 177.95 1fjc h LYS 68 N 0.12 1.15 -0.22 1.92 3.11 0.18 0.67 116.57 123.49 1fjc h LYS 68 Ca 0.03 -0.08 -0.12 0.00 -2.81 0.00 0.00 60.65 57.68 1fjc h LYS 68 Cb 0.73 -0.25 -0.00 0.00 -1.00 0.00 0.00 32.23 31.70 1fjc h LYS 68 CO 0.05 0.77 -0.31 -0.91 -2.81 0.00 0.00 179.45 176.23 1fjc h ASN 69 N 1.18 0.66 0.80 4.20 -0.26 -0.89 0.35 115.58 121.62 1fjc h ASN 69 Ca 0.32 -0.51 -0.11 0.00 -0.56 0.00 0.00 56.30 55.44 1fjc h ASN 69 Cb -0.12 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 36.94 1fjc h ASN 69 CO -0.07 1.04 -0.51 0.25 -1.06 0.00 0.00 177.43 177.09 1fjc h LEU 70 N 0.30 0.00 0.00 1.61 6.46 -0.55 2.21 115.31 125.34 1fjc h LEU 70 Ca 0.02 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.66 1fjc h LEU 70 Cb 0.89 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.80 1fjc h LEU 70 CO 0.07 0.51 -1.20 -0.33 -0.62 0.00 0.00 178.44 176.88 1fjc h GLU 71 N 0.00 0.00 -0.04 1.25 4.39 0.40 -3.07 114.58 117.52 1fjc h GLU 71 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1fjc h GLU 71 Cb 1.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1fjc h GLU 71 CO 0.07 0.25 0.00 -1.91 -1.16 0.00 0.00 179.01 176.25 1fjc n GLU 72 N -2.89 1.60 -2.67 2.33 2.13 0.12 -4.80 120.64 116.47 1fjc n GLU 72 Ca -0.06 -1.23 -0.04 0.00 0.66 0.00 0.00 57.16 56.49 1fjc n GLU 72 Cb 0.76 -1.04 0.03 0.00 0.27 0.00 0.00 31.44 31.46 1fjc n GLU 72 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1fjc n LYS 73 N -0.17 0.40 0.00 5.31 5.02 0.74 -4.94 118.16 124.51 1fjc n LYS 73 Ca 0.02 -0.96 0.00 0.00 -2.02 0.00 0.00 58.31 55.35 1fjc n LYS 73 Cb 0.19 -0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 1fjc n LYS 73 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1fjc n GLN 74 N -0.36 0.00 -0.39 1.97 -0.06 -0.73 -3.76 117.38 114.06 1fjc n GLN 74 Ca -0.19 0.00 0.08 0.00 -2.00 0.00 0.00 57.00 54.89 1fjc n GLN 74 Cb 0.70 -0.09 0.23 0.00 -4.06 0.00 0.00 30.24 27.02 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 0.00 4.29 2.12 1.69 0.00 0.19 -4.63 105.19 108.85 1fjc n GLY 75 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.76 -1.67 -1.54 4.61 0.00 -1.25 -1.03 120.51 118.87 1fjc n ALA 76 Ca 0.21 0.34 -0.16 0.00 0.00 0.00 0.00 53.44 53.83 1fjc n ALA 76 Cb 0.85 -1.17 -0.12 0.00 0.00 0.00 0.00 19.45 19.01 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 1.88 0.39 -4.47 0.00 0.00 -1.26 -3.55 120.64 113.63 1fjc n GLU 77 Ca 0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 57.16 56.31 1fjc n GLU 77 Cb 0.00 -2.89 -0.08 0.00 0.00 0.00 0.00 31.44 28.47 1fjc n GLU 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1fjc s ILE 78 N 10.41 0.39 -0.60 6.31 1.01 0.69 -4.63 121.20 134.79 1fjc s ILE 78 Ca 1.05 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1fjc s ILE 78 Cb -0.35 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1fjc s ILE 78 CO 0.23 0.00 0.00 -0.67 0.00 0.00 0.00 174.94 174.50 1fjc n ASP 79 N -1.46 -2.27 0.00 3.58 2.03 -1.26 0.26 116.55 117.44 1fjc n ASP 79 Ca -0.03 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1fjc n ASP 79 Cb 0.64 -2.10 0.00 0.00 -0.72 0.00 0.00 41.12 38.94 1fjc n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fjc n GLY 80 N -0.49 0.41 0.00 0.27 0.00 -1.26 -5.00 105.19 99.13 1fjc n GLY 80 Ca -0.07 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.96 0.00 -2.73 1.61 1.85 0.74 -5.13 116.66 110.04 1fjc n ARG 81 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 1fjc n ARG 81 Cb 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.36 1fjc n ARG 81 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1fjc s SER 82 N 0.00 7.51 0.78 2.89 0.01 -1.25 -0.22 113.70 123.41 1fjc s SER 82 Ca 0.00 1.81 -0.11 0.00 1.31 0.00 0.00 55.95 58.96 1fjc s SER 82 Cb 0.00 -2.59 0.06 0.00 0.21 0.00 0.00 66.02 63.70 1fjc s SER 82 CO 0.00 -0.05 1.11 -0.69 0.41 0.00 0.00 173.24 174.02 1fjc s VAL 83 N -0.11 3.10 -0.18 3.43 1.01 -0.20 -4.65 120.40 122.80 1fjc s VAL 83 Ca 0.46 0.38 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 1fjc s VAL 83 Cb -0.24 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1fjc s VAL 83 CO 0.30 -0.44 0.10 -0.44 0.00 0.00 0.00 175.10 174.62 1fjc s SER 84 N -3.14 5.99 -0.25 3.32 0.01 0.10 0.57 113.70 120.30 1fjc s SER 84 Ca 0.63 0.21 -0.11 0.00 1.31 0.00 0.00 55.95 57.99 1fjc s SER 84 Cb -0.19 -2.02 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 1fjc s SER 84 CO 0.54 0.22 0.17 -0.76 0.41 0.00 0.00 173.24 173.82 1fjc s LEU 85 N 0.14 4.08 -0.56 2.44 1.43 -1.26 0.25 118.68 125.19 1fjc s LEU 85 Ca 0.07 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.15 1fjc s LEU 85 Cb -0.12 -2.12 0.14 0.00 0.03 0.00 0.00 46.19 44.13 1fjc s LEU 85 CO -0.00 0.03 0.46 -0.31 0.23 0.00 0.00 176.35 176.75 1fjc s TYR 86 N 1.29 3.45 0.00 0.29 1.51 0.79 -4.87 117.35 119.82 1fjc s TYR 86 Ca 0.08 -1.91 -0.00 0.00 -1.01 0.00 0.00 57.07 54.23 1fjc s TYR 86 Cb -0.14 -3.57 0.00 0.00 -0.11 0.00 0.00 41.96 38.14 1fjc s TYR 86 CO 0.07 -0.98 0.00 0.98 -1.11 0.00 0.00 175.55 174.51 1fjc n TYR 87 N 4.62 -1.31 -1.76 2.71 4.19 -1.26 0.26 117.16 124.61 1fjc n TYR 87 Ca -0.03 -0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.17 1fjc n TYR 87 Cb 0.41 -0.00 -0.00 0.00 0.49 0.00 0.00 39.34 40.24 1fjc n TYR 87 CO 0.00 0.00 0.00 0.25 0.91 0.00 0.00 176.86 178.02 1fjc n THR 88 N -2.66 0.00 -0.65 2.97 -2.24 -1.24 -4.27 114.28 106.19 1fjc n THR 88 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1fjc n THR 88 Cb 0.00 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1fjc n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fjc n GLY 89 N -0.05 -0.14 0.45 3.38 0.00 -0.39 -4.48 105.19 103.95 1fjc n GLY 89 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1fjc n GLY 89 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1fjc n GLU 90 N -0.05 0.00 0.10 1.61 0.28 -1.26 -4.57 120.64 116.76 1fjc n GLU 90 Ca 0.00 -0.10 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1fjc n GLU 90 Cb 0.23 -0.05 0.00 0.00 1.43 0.00 0.00 31.44 33.05 1fjc n GLU 90 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1fjc n LYS 91 N 0.00 0.00 -0.89 3.44 0.00 -1.26 -5.09 118.16 114.35 1fjc n LYS 91 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 57.96 1fjc n LYS 91 Cb 0.52 -0.07 0.08 0.00 0.00 0.00 0.00 35.03 35.56 1fjc n LYS 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fjc n GLY 92 N 1.76 -3.31 2.60 3.14 0.00 -1.26 -4.30 105.19 103.83 1fjc n GLY 92 Ca 0.00 -0.73 -0.01 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 2.57 -4.44 1.17 -0.02 0.00 -1.26 -4.99 105.19 98.22 1fjc n GLY 93 Ca 0.02 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1fjc n GLY 93 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fjc n THR 94 N 0.86 0.00 -3.85 2.61 -1.04 -1.26 -5.04 114.28 106.57 1fjc n THR 94 Ca -0.09 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.67 1fjc n THR 94 Cb 0.14 -1.21 0.01 0.00 -1.82 0.00 0.00 70.33 67.45 1fjc n THR 94 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1fjc n ARG 95 N -2.84 -4.36 0.00 -2.82 1.74 -1.26 -5.25 116.66 101.86 1fjc n ARG 95 Ca 0.00 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 1fjc n ARG 95 Cb 0.38 -5.00 0.00 0.00 -1.02 0.00 0.00 32.46 26.82 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52