#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 -1.18 0.00 0.66 -0.00 -1.26 -4.97 115.22 108.48 1fjc n HIS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1fjc n HIS 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1fjc n HIS 2 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1fjc n MET 3 N -0.43 0.00 -4.22 -0.41 2.00 -1.26 -4.78 117.12 108.03 1fjc n MET 3 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.40 1fjc n MET 3 Cb 0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 33.22 32.65 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 0.00 -1.35 0.00 4.03 7.99 -1.26 -4.93 117.00 121.48 1fjc n LEU 4 Ca 0.00 -1.19 0.00 0.00 -0.01 0.00 0.00 56.01 54.81 1fjc n LEU 4 Cb 0.00 -1.79 0.00 0.00 -0.11 0.00 0.00 43.42 41.52 1fjc n LEU 4 CO 0.00 0.44 0.00 -1.84 -1.51 0.00 0.00 177.39 174.48 1fjc n GLU 5 N -4.51 0.95 -2.01 3.23 0.00 -1.26 -4.96 120.64 112.08 1fjc n GLU 5 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.86 1fjc n GLU 5 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.12 1fjc n GLU 5 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1fjc n ASP 6 N -2.10 -8.56 -1.07 -1.84 2.03 -1.26 -4.67 116.55 99.08 1fjc n ASP 6 Ca 0.00 1.39 -0.02 0.00 0.52 0.00 0.00 54.79 56.67 1fjc n ASP 6 Cb 0.00 -4.92 0.04 0.00 -0.72 0.00 0.00 41.12 35.52 1fjc n ASP 6 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1fjc n PRO 7 N 1.42 1.30 -0.86 -0.67 -0.04 -1.26 -4.78 135.00 130.12 1fjc n PRO 7 Ca 0.00 -0.47 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 1fjc n PRO 7 Cb 0.00 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 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 -2.21 0.00 -2.57 0.00 -1.04 -1.26 -3.27 114.28 103.94 1fjc n THR 9 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1fjc n THR 9 Cb 0.16 -0.38 -0.00 0.00 -1.82 0.00 0.00 70.33 68.29 1fjc n THR 9 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1fjc n SER 10 N -0.17 -3.87 0.04 8.00 3.41 -1.12 -4.83 113.62 115.09 1fjc n SER 10 Ca 0.00 0.12 -0.11 0.00 -0.26 0.00 0.00 58.87 58.62 1fjc n SER 10 Cb 0.08 -3.28 -0.04 0.00 -0.26 0.00 0.00 64.21 60.72 1fjc n SER 10 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1fjc h LYS 11 N -0.15 -0.26 -0.10 4.33 1.63 -1.88 0.31 116.57 120.44 1fjc h LYS 11 Ca -0.31 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1fjc h LYS 11 Cb 1.22 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1fjc h LYS 11 CO 0.36 -0.18 0.00 0.36 -3.45 0.00 0.00 179.45 176.55 1fjc n LYS 12 N -5.31 1.25 0.01 1.90 2.85 -1.26 -3.14 118.16 114.45 1fjc n LYS 12 Ca -0.05 -0.39 0.11 0.00 -1.05 0.00 0.00 58.31 56.94 1fjc n LYS 12 Cb 0.22 -1.11 -0.14 0.00 -0.65 0.00 0.00 35.03 33.36 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 -0.21 0.08 0.19 0.58 0.31 0.05 -4.12 118.33 115.22 1fjc n VAL 13 Ca 0.05 -0.48 0.12 0.00 -0.01 0.00 0.00 64.34 64.02 1fjc n VAL 13 Cb 0.10 0.01 0.13 0.00 -0.91 0.00 0.00 33.84 33.16 1fjc n VAL 13 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1fjc h ARG 14 N 0.00 0.00 -0.00 5.55 3.08 -1.39 -3.18 114.38 118.44 1fjc h ARG 14 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1fjc h ARG 14 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1fjc h ARG 14 CO 0.00 0.01 -0.04 0.00 -1.07 0.00 0.00 179.97 178.87 1fjc n ALA 15 N -2.12 2.49 -0.06 0.04 0.00 -1.26 -3.29 120.51 116.30 1fjc n ALA 15 Ca 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 1fjc n ALA 15 Cb 0.54 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 3.19 0.01 0.00 0.00 0.00 -1.74 0.01 119.26 120.73 1fjc h ALA 16 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1fjc h ALA 16 Cb 0.42 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1fjc h ALA 16 CO 0.00 0.32 0.00 2.89 0.00 0.00 0.00 179.25 182.46 1fjc n ARG 17 N -4.67 0.21 -4.88 0.00 -4.01 -1.26 -4.37 116.66 97.69 1fjc n ARG 17 Ca -0.06 0.13 -0.33 0.00 -1.04 0.00 0.00 57.85 56.56 1fjc n ARG 17 Cb 0.20 -1.50 -0.15 0.00 -3.04 0.00 0.00 32.46 27.96 1fjc n ARG 17 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 1fjc s THR 18 N -2.42 2.74 0.17 8.89 2.01 -1.21 -0.65 115.64 125.17 1fjc s THR 18 Ca 0.12 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.39 1fjc s THR 18 Cb 0.08 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 1fjc s THR 18 CO 0.16 0.53 0.19 -0.76 -0.69 0.00 0.00 174.62 174.06 1fjc s LEU 19 N 0.39 4.00 -0.66 4.42 2.01 0.78 -3.47 118.68 126.14 1fjc s LEU 19 Ca -0.13 -0.03 -0.11 0.00 0.01 0.00 0.00 54.13 53.87 1fjc s LEU 19 Cb -0.16 -2.59 0.17 0.00 0.01 0.00 0.00 46.19 43.62 1fjc s LEU 19 CO 0.06 0.05 0.57 -0.22 1.01 0.00 0.00 176.35 177.83 1fjc s LEU 20 N -3.21 6.17 0.48 1.79 2.96 0.10 -0.57 118.68 126.41 1fjc s LEU 20 Ca 0.32 -2.38 -0.23 0.00 -0.22 0.00 0.00 54.13 51.63 1fjc s LEU 20 Cb -0.10 -2.11 -0.07 0.00 0.50 0.00 0.00 46.19 44.41 1fjc s LEU 20 CO 0.25 -0.62 1.22 0.00 -1.32 0.00 0.00 176.35 175.89 1fjc s ALA 21 N 0.66 2.93 0.32 5.97 0.00 0.13 0.94 121.76 132.71 1fjc s ALA 21 Ca 0.12 1.05 -0.08 0.00 0.00 0.00 0.00 51.96 53.06 1fjc s ALA 21 Cb -0.19 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.50 1fjc s ALA 21 CO -0.04 -0.87 0.52 0.15 0.00 0.00 0.00 175.76 175.52 1fjc s LYS 22 N -2.75 1.84 -1.68 0.00 1.02 0.69 -0.15 119.74 118.70 1fjc s LYS 22 Ca 0.66 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 55.09 1fjc s LYS 22 Cb -0.32 0.48 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 1fjc s LYS 22 CO 0.39 -0.78 0.00 -1.71 -0.92 0.00 0.00 175.35 172.33 1fjc n ASN 23 N -1.08 -5.00 -3.06 2.83 5.15 -0.91 0.95 115.26 114.14 1fjc n ASN 23 Ca -0.01 0.39 0.00 0.00 -0.60 0.00 0.00 54.58 54.36 1fjc n ASN 23 Cb 0.61 -3.90 0.00 0.00 -0.53 0.00 0.00 39.78 35.97 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 -1.80 0.00 0.00 1.20 4.77 -0.45 -4.39 117.00 116.33 1fjc n LEU 24 Ca -0.16 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.75 1fjc n LEU 24 Cb 0.54 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 1fjc n LEU 24 CO 0.24 -0.29 -0.02 -0.24 -1.33 0.00 0.00 177.39 175.75 1fjc n SER 25 N -0.68 1.86 0.05 -1.43 2.88 -1.26 -4.61 113.62 110.42 1fjc n SER 25 Ca 0.00 -1.48 0.08 0.00 -1.33 0.00 0.00 58.87 56.14 1fjc n SER 25 Cb 0.00 0.04 -0.08 0.00 -0.75 0.00 0.00 64.21 63.42 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 -0.55 0.63 -0.07 0.66 3.01 -1.26 -4.26 117.46 115.62 1fjc n PHE 26 Ca -0.03 0.19 -0.08 0.00 1.01 0.00 0.00 57.45 58.54 1fjc n PHE 26 Cb 0.15 -0.85 -0.15 0.00 -0.01 0.00 0.00 39.48 38.62 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 -2.59 0.29 -4.16 4.37 2.85 -1.26 -4.97 115.26 109.79 1fjc n ASN 27 Ca -0.05 0.14 -0.35 0.00 -0.11 0.00 0.00 54.58 54.21 1fjc n ASN 27 Cb 0.64 0.69 0.08 0.00 1.24 0.00 0.00 39.78 42.43 1fjc n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1fjc n ILE 28 N -2.82 0.00 -3.73 -1.44 3.06 -1.26 -5.00 119.36 108.17 1fjc n ILE 28 Ca -0.26 -0.29 -0.08 0.00 -2.50 0.00 0.00 62.75 59.61 1fjc n ILE 28 Cb 1.09 -0.27 0.02 0.00 0.54 0.00 0.00 39.64 41.03 1fjc n ILE 28 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1fjc n THR 29 N -3.28 0.00 0.08 9.51 -2.24 -1.26 -4.95 114.28 112.14 1fjc n THR 29 Ca 0.01 -0.93 0.20 0.00 -2.27 0.00 0.00 64.05 61.06 1fjc n THR 29 Cb 0.60 0.89 0.75 0.00 -2.10 0.00 0.00 70.33 70.47 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 0.64 -0.78 4.81 -1.94 -0.47 114.58 116.84 1fjc h GLU 30 Ca -0.30 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 1fjc h GLU 30 Cb 1.11 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.50 1fjc h GLU 30 CO 0.38 0.00 -0.31 0.22 -0.73 0.00 0.00 179.01 178.57 1fjc h ASP 31 N 0.00 -0.73 -0.72 1.04 3.58 -1.96 2.24 116.42 119.87 1fjc h ASP 31 Ca 0.20 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.59 1fjc h ASP 31 Cb 0.99 0.19 -0.03 0.00 1.72 0.00 0.00 39.33 42.20 1fjc h ASP 31 CO -0.00 -0.48 0.22 -0.33 -2.88 0.00 0.00 179.24 175.77 1fjc h GLU 32 N -0.93 1.13 -0.11 0.28 5.08 -1.65 0.62 114.58 119.00 1fjc h GLU 32 Ca -0.09 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 57.93 1fjc h GLU 32 Cb 0.68 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1fjc h GLU 32 CO 0.14 0.97 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.69 1fjc h LEU 33 N 1.09 0.24 -0.25 1.33 3.38 -0.92 0.66 115.31 120.83 1fjc h LEU 33 Ca 0.24 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1fjc h LEU 33 Cb 0.31 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1fjc h LEU 33 CO -0.01 0.59 -0.23 0.50 0.09 0.00 0.00 178.44 179.38 1fjc h LYS 34 N 0.20 0.00 0.13 1.13 3.11 0.47 0.08 116.57 121.69 1fjc h LYS 34 Ca 0.02 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.59 1fjc h LYS 34 Cb 0.74 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.98 1fjc h LYS 34 CO 0.06 0.23 -1.24 1.49 -2.81 0.00 0.00 179.45 177.17 1fjc h GLU 35 N 0.00 0.31 0.23 1.90 4.81 0.12 -3.01 114.58 118.95 1fjc h GLU 35 Ca -0.00 -0.52 -0.34 0.00 -0.13 0.00 0.00 59.36 58.37 1fjc h GLU 35 Cb 1.09 0.19 0.03 0.00 0.63 0.00 0.00 28.75 30.69 1fjc h GLU 35 CO 0.03 1.24 -1.57 0.28 -0.73 0.00 0.00 179.01 178.26 1fjc h VAL 36 N 0.09 1.18 -2.33 0.32 2.07 -0.86 -3.36 116.25 113.36 1fjc h VAL 36 Ca -0.14 -2.65 -0.74 0.00 0.82 0.00 0.00 66.70 63.98 1fjc h VAL 36 Cb 1.96 2.95 -0.32 0.00 -1.52 0.00 0.00 31.29 34.37 1fjc h VAL 36 CO 0.21 0.83 0.48 0.49 0.02 0.00 0.00 177.57 179.59 1fjc n PHE 37 N -3.67 3.11 1.05 1.57 3.72 0.01 -4.76 117.46 118.48 1fjc n PHE 37 Ca -0.19 -3.03 0.09 0.00 -0.05 0.00 0.00 57.45 54.27 1fjc n PHE 37 Cb 1.10 -0.98 0.52 0.00 -0.94 0.00 0.00 39.48 39.18 1fjc n PHE 37 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1fjc n GLU 38 N 0.08 0.44 -0.40 -1.08 1.02 -1.14 -2.31 120.64 117.25 1fjc n GLU 38 Ca 0.40 0.06 0.10 0.00 -0.02 0.00 0.00 57.16 57.69 1fjc n GLU 38 Cb 0.31 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 30.54 1fjc n GLU 38 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1fjc n ASP 39 N -1.14 4.00 -4.89 1.62 2.03 -1.26 -4.96 116.55 111.94 1fjc n ASP 39 Ca 0.12 -2.12 -0.20 0.00 0.52 0.00 0.00 54.79 53.10 1fjc n ASP 39 Cb 0.11 -0.47 -0.03 0.00 -0.72 0.00 0.00 41.12 40.00 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 -1.22 4.01 -0.01 -1.67 0.00 -0.98 -4.25 121.76 117.64 1fjc s ALA 40 Ca 0.46 -1.71 -0.22 0.00 0.00 0.00 0.00 51.96 50.49 1fjc s ALA 40 Cb 0.25 -1.21 -0.20 0.00 0.00 0.00 0.00 23.12 21.97 1fjc s ALA 40 CO 0.28 -0.10 1.17 -0.07 0.00 0.00 0.00 175.76 177.05 1fjc h LEU 41 N 1.09 0.33 -7.60 0.00 3.38 -0.27 -3.45 115.31 108.78 1fjc h LEU 41 Ca -0.43 -0.65 0.15 0.00 0.09 0.00 0.00 57.88 57.04 1fjc h LEU 41 Cb 1.26 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.83 1fjc h LEU 41 CO 0.56 0.92 0.44 -1.83 0.09 0.00 0.00 178.44 178.62 1fjc s GLU 42 N -3.64 1.24 0.02 1.13 -1.05 -0.95 -5.04 118.70 110.41 1fjc s GLU 42 Ca -0.15 -0.66 0.02 0.00 -0.15 0.00 0.00 54.97 54.04 1fjc s GLU 42 Cb 0.03 0.44 -0.01 0.00 -0.44 0.00 0.00 34.13 34.15 1fjc s GLU 42 CO 0.76 -0.56 -0.08 0.42 0.95 0.00 0.00 175.26 176.74 1fjc s ILE 43 N -3.38 0.59 0.22 1.83 1.01 -1.26 -1.12 121.20 119.10 1fjc s ILE 43 Ca 0.11 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.20 1fjc s ILE 43 Cb -0.02 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 1fjc s ILE 43 CO 0.01 -0.06 -0.17 -0.60 0.00 0.00 0.00 174.94 174.12 1fjc s ARG 44 N -0.78 1.44 0.26 2.79 6.06 0.79 -4.85 118.95 124.66 1fjc s ARG 44 Ca -0.02 -1.62 0.06 0.00 -2.50 0.00 0.00 55.73 51.65 1fjc s ARG 44 Cb -0.06 -1.37 -0.03 0.00 0.06 0.00 0.00 34.95 33.55 1fjc s ARG 44 CO 0.00 0.25 0.36 -1.17 -2.50 0.00 0.00 175.30 172.24 1fjc s LEU 45 N -3.26 4.18 -0.18 -0.88 0.20 -1.26 0.98 118.68 118.45 1fjc s LEU 45 Ca 0.24 -0.03 -0.19 0.00 0.69 0.00 0.00 54.13 54.84 1fjc s LEU 45 Cb -0.03 -2.77 0.05 0.00 -0.43 0.00 0.00 46.19 43.02 1fjc s LEU 45 CO 0.09 -0.14 0.54 -0.69 -0.29 0.00 0.00 176.35 175.86 1fjc s VAL 46 N -2.04 0.00 0.17 1.68 1.01 0.80 -4.50 120.40 117.53 1fjc s VAL 46 Ca 0.36 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.35 1fjc s VAL 46 Cb -0.09 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1fjc s VAL 46 CO 0.29 -0.01 0.17 -1.20 0.00 0.00 0.00 175.10 174.34 1fjc n SER 47 N 2.60 -0.44 -3.28 3.32 7.64 -1.26 -0.01 113.62 122.19 1fjc n SER 47 Ca -0.14 -2.10 -0.23 0.00 1.01 0.00 0.00 58.87 57.41 1fjc n SER 47 Cb 0.56 0.96 0.20 0.00 -1.01 0.00 0.00 64.21 64.92 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 -0.32 -3.01 -0.28 1.43 7.27 0.06 -4.75 117.38 117.78 1fjc n GLN 48 Ca 0.03 -1.30 0.33 0.00 0.07 0.00 0.00 57.00 56.13 1fjc n GLN 48 Cb 0.31 -1.31 0.59 0.00 2.41 0.00 0.00 30.24 32.25 1fjc n GLN 48 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 1fjc h ASP 49 N -2.54 0.00 0.00 1.69 1.82 -2.02 -3.17 116.42 112.19 1fjc h ASP 49 Ca -0.31 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.21 1fjc h ASP 49 Cb 0.98 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 40.88 1fjc h ASP 49 CO 0.20 0.00 0.05 0.61 -1.61 0.00 0.00 179.24 178.49 1fjc n GLY 50 N -1.73 -0.32 3.34 -0.78 0.00 -1.26 -5.12 105.19 99.32 1fjc n GLY 50 Ca 0.26 0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.33 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 0.07 0.46 -0.49 1.61 2.20 -1.20 -5.10 119.74 117.30 1fjc s LYS 51 Ca 0.09 0.99 -0.44 0.00 -0.36 0.00 0.00 55.97 56.25 1fjc s LYS 51 Cb 0.16 0.57 -0.19 0.00 -1.51 0.00 0.00 37.83 36.87 1fjc s LYS 51 CO -0.05 -0.34 2.13 0.43 -0.36 0.00 0.00 175.35 177.16 1fjc n SER 52 N 5.36 0.84 -0.99 1.43 7.64 -1.26 -0.76 113.62 125.88 1fjc n SER 52 Ca -0.07 0.68 0.10 0.00 1.01 0.00 0.00 58.87 60.60 1fjc n SER 52 Cb 0.51 -0.92 0.19 0.00 -1.01 0.00 0.00 64.21 62.98 1fjc n SER 52 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1fjc n LYS 53 N 7.42 2.34 -2.33 1.43 0.00 -1.26 -4.79 118.16 120.99 1fjc n LYS 53 Ca 0.53 -2.14 -0.08 0.00 0.00 0.00 0.00 58.31 56.62 1fjc n LYS 53 Cb -0.03 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 33.57 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 1.22 0.14 3.81 3.14 0.00 -1.25 -4.19 105.19 108.07 1fjc n GLY 54 Ca 0.17 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.56 4.47 -0.14 -0.61 1.01 0.99 -1.35 121.20 123.01 1fjc s ILE 55 Ca 0.05 -1.27 -0.24 0.00 0.00 0.00 0.00 60.65 59.19 1fjc s ILE 55 Cb -0.02 -3.36 0.06 0.00 0.01 0.00 0.00 42.46 39.15 1fjc s ILE 55 CO 0.06 -0.25 0.61 0.00 0.00 0.00 0.00 174.94 175.36 1fjc s ALA 56 N -1.98 -1.54 -0.70 9.38 0.00 0.78 0.28 121.76 127.99 1fjc s ALA 56 Ca 0.32 1.43 -0.16 0.00 0.00 0.00 0.00 51.96 53.55 1fjc s ALA 56 Cb -0.09 -0.52 0.16 0.00 0.00 0.00 0.00 23.12 22.67 1fjc s ALA 56 CO 0.24 -0.32 0.72 0.71 0.00 0.00 0.00 175.76 177.11 1fjc s TYR 57 N -0.42 3.36 -0.18 0.00 2.02 0.28 0.22 117.35 122.63 1fjc s TYR 57 Ca -0.06 -1.48 -0.17 0.00 -0.37 0.00 0.00 57.07 54.99 1fjc s TYR 57 Cb -0.03 -3.91 -0.04 0.00 -0.40 0.00 0.00 41.96 37.58 1fjc s TYR 57 CO 0.05 -1.13 0.46 0.42 -1.57 0.00 0.00 175.55 173.77 1fjc s ILE 58 N 1.46 5.17 -0.18 2.71 1.01 0.27 -0.15 121.20 131.49 1fjc s ILE 58 Ca 0.14 0.85 0.01 0.00 0.00 0.00 0.00 60.65 61.65 1fjc s ILE 58 Cb -0.19 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.51 1fjc s ILE 58 CO -0.02 0.25 -0.19 -1.83 0.00 0.00 0.00 174.94 173.15 1fjc s GLU 59 N 1.21 3.02 0.64 2.79 1.03 -0.27 0.27 118.70 127.39 1fjc s GLU 59 Ca 0.22 -0.82 0.05 0.00 0.03 0.00 0.00 54.97 54.46 1fjc s GLU 59 Cb -0.15 -2.58 0.12 0.00 -0.80 0.00 0.00 34.13 30.72 1fjc s GLU 59 CO 0.09 -0.18 0.88 1.19 -1.33 0.00 0.00 175.26 175.91 1fjc n PHE 60 N 4.54 -2.58 0.28 4.83 3.01 0.18 0.39 117.46 128.12 1fjc n PHE 60 Ca -0.21 -1.95 0.13 0.00 1.01 0.00 0.00 57.45 56.43 1fjc n PHE 60 Cb 0.50 -0.62 0.60 0.00 -0.01 0.00 0.00 39.48 39.95 1fjc n PHE 60 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1fjc h LYS 61 N 0.00 0.00 -1.08 -1.08 3.64 -1.86 -3.40 116.57 112.79 1fjc h LYS 61 Ca -0.29 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.34 1fjc h LYS 61 Cb 1.23 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.79 1fjc h LYS 61 CO 0.37 0.00 0.94 -1.54 -2.27 0.00 0.00 179.45 176.95 1fjc s SER 62 N -4.32 -0.04 0.57 4.20 1.04 -1.26 -4.96 113.70 108.93 1fjc s SER 62 Ca 0.00 0.04 0.35 0.00 0.48 0.00 0.00 55.95 56.83 1fjc s SER 62 Cb 0.08 0.04 1.43 0.00 0.10 0.00 0.00 66.02 67.67 1fjc s SER 62 CO 0.32 -0.05 1.68 -0.08 0.98 0.00 0.00 173.24 176.09 1fjc h GLU 63 N 2.06 0.00 0.00 4.02 4.57 -1.82 0.36 114.58 123.76 1fjc h GLU 63 Ca -0.07 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1fjc h GLU 63 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1fjc h GLU 63 CO 0.22 0.00 -0.00 0.00 -1.18 0.00 0.00 179.01 178.05 1fjc h ALA 64 N 1.16 -0.00 -0.28 2.92 0.00 -1.94 0.75 119.26 121.88 1fjc h ALA 64 Ca 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1fjc h ALA 64 Cb 2.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.21 1fjc h ALA 64 CO -0.01 -0.30 0.10 -0.44 0.00 0.00 0.00 179.25 178.61 1fjc h ASP 65 N -0.40 0.39 -0.48 0.00 5.19 -0.74 0.41 116.42 120.77 1fjc h ASP 65 Ca -0.00 -0.18 -0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1fjc h ASP 65 Cb 0.40 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.79 1fjc h ASP 65 CO 0.00 0.46 0.29 0.00 -3.12 0.00 0.00 179.24 176.87 1fjc h ALA 66 N 0.94 0.62 -0.54 3.45 0.00 -1.08 -0.57 119.26 122.08 1fjc h ALA 66 Ca 0.09 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1fjc h ALA 66 Cb 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1fjc h ALA 66 CO -0.01 0.11 0.04 1.49 0.00 0.00 0.00 179.25 180.88 1fjc h GLU 67 N 0.65 0.94 -0.40 0.00 4.81 0.84 0.51 114.58 121.92 1fjc h GLU 67 Ca 0.17 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1fjc h GLU 67 Cb -0.00 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1fjc h GLU 67 CO -0.03 0.93 0.26 -0.22 -0.73 0.00 0.00 179.01 179.22 1fjc h LYS 68 N 0.82 0.51 -0.09 1.92 3.11 0.18 -0.60 116.57 122.42 1fjc h LYS 68 Ca 0.16 -0.03 -0.14 0.00 -2.81 0.00 0.00 60.65 57.83 1fjc h LYS 68 Cb 0.49 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.59 1fjc h LYS 68 CO 0.02 0.34 -0.55 -0.91 -2.81 0.00 0.00 179.45 175.54 1fjc h ASN 69 N 0.53 0.31 0.32 4.20 2.35 -0.91 0.27 115.58 122.66 1fjc h ASN 69 Ca 0.15 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1fjc h ASN 69 Cb -0.05 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1fjc h ASN 69 CO -0.04 0.80 -0.24 -0.07 -1.65 0.00 0.00 177.43 176.24 1fjc h LEU 70 N 0.22 -0.62 -0.05 1.61 -0.00 0.91 0.16 115.31 117.54 1fjc h LEU 70 Ca 0.00 0.05 -0.13 0.00 -0.00 0.00 0.00 57.88 57.80 1fjc h LEU 70 Cb 1.04 0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.88 1fjc h LEU 70 CO 0.09 -0.37 -0.60 -0.33 -0.00 0.00 0.00 178.44 177.23 1fjc h GLU 71 N -0.56 0.00 -0.29 1.13 5.08 -1.14 -1.40 114.58 117.40 1fjc h GLU 71 Ca -0.03 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1fjc h GLU 71 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1fjc h GLU 71 CO -0.00 0.60 -0.29 1.49 -1.00 0.00 0.00 179.01 179.80 1fjc h GLU 72 N 0.00 0.58 0.00 2.33 4.81 -0.17 -3.40 114.58 118.73 1fjc h GLU 72 Ca -0.01 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1fjc h GLU 72 Cb 1.44 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1fjc h GLU 72 CO 0.08 0.81 -0.28 1.63 -0.73 0.00 0.00 179.01 180.52 1fjc n LYS 73 N -4.09 0.15 -3.13 1.92 4.76 0.02 -5.02 118.16 112.76 1fjc n LYS 73 Ca -0.01 0.06 -0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1fjc n LYS 73 Cb 0.45 -0.66 -0.00 0.00 -1.84 0.00 0.00 35.03 32.98 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 -3.45 -0.75 0.00 1.97 -0.06 -0.53 -3.24 117.38 111.33 1fjc n GLN 74 Ca -0.04 1.02 0.00 0.00 -2.00 0.00 0.00 57.00 55.98 1fjc n GLN 74 Cb 0.14 -1.15 0.00 0.00 -4.06 0.00 0.00 30.24 25.17 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 1.65 2.52 3.08 1.69 0.00 0.64 -4.88 105.19 109.88 1fjc n GLY 75 Ca -0.01 -0.62 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.24 -1.52 4.61 0.00 -1.20 0.26 120.51 121.42 1fjc n ALA 76 Ca 0.00 0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.27 1fjc n ALA 76 Cb 0.00 -0.64 -0.16 0.00 0.00 0.00 0.00 19.45 18.65 1fjc n ALA 76 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1fjc n GLU 77 N 2.33 0.23 -4.28 0.00 4.71 -1.26 -4.03 120.64 118.33 1fjc n GLU 77 Ca -0.01 -0.20 -0.18 0.00 -0.01 0.00 0.00 57.16 56.76 1fjc n GLU 77 Cb 0.09 -1.95 -0.09 0.00 -1.01 0.00 0.00 31.44 28.49 1fjc n GLU 77 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1fjc s ILE 78 N 6.33 0.05 -0.28 -3.67 1.01 0.36 -4.80 121.20 120.21 1fjc s ILE 78 Ca 1.21 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1fjc s ILE 78 Cb -0.70 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.28 1fjc s ILE 78 CO 0.41 0.00 0.00 -0.90 0.00 0.00 0.00 174.94 174.45 1fjc n ASP 79 N -1.18 -1.46 -0.56 3.58 5.68 -1.26 0.29 116.55 121.63 1fjc n ASP 79 Ca 0.05 0.33 -0.07 0.00 -0.50 0.00 0.00 54.79 54.59 1fjc n ASP 79 Cb 0.64 -1.45 -0.03 0.00 -1.14 0.00 0.00 41.12 39.14 1fjc n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fjc n GLY 80 N -0.43 0.83 3.66 6.12 0.00 -1.26 -4.82 105.19 109.28 1fjc n GLY 80 Ca -0.03 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1fjc n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fjc s ARG 81 N -2.33 2.01 -0.19 1.61 0.52 0.83 -5.14 118.95 116.26 1fjc s ARG 81 Ca 0.00 -1.53 -0.15 0.00 -0.52 0.00 0.00 55.73 53.54 1fjc s ARG 81 Cb 0.00 0.54 -0.04 0.00 0.52 0.00 0.00 34.95 35.96 1fjc s ARG 81 CO 0.00 -0.89 0.34 -1.12 0.02 0.00 0.00 175.30 173.65 1fjc s SER 82 N -3.13 6.41 -0.25 0.23 0.01 -1.26 -0.48 113.70 115.23 1fjc s SER 82 Ca 0.22 0.48 -0.17 0.00 1.31 0.00 0.00 55.95 57.80 1fjc s SER 82 Cb -0.03 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 1fjc s SER 82 CO 0.15 0.01 0.45 0.54 0.41 0.00 0.00 173.24 174.79 1fjc s VAL 83 N 0.95 5.13 0.33 3.43 0.11 0.74 -4.59 120.40 126.49 1fjc s VAL 83 Ca 0.17 0.75 -0.14 0.00 -2.93 0.00 0.00 61.98 59.83 1fjc s VAL 83 Cb -0.14 -3.77 -0.08 0.00 -1.53 0.00 0.00 36.38 30.86 1fjc s VAL 83 CO 0.06 0.14 0.72 -0.44 -3.33 0.00 0.00 175.10 172.25 1fjc s SER 84 N 1.50 6.73 -0.20 3.54 0.01 0.27 0.23 113.70 125.78 1fjc s SER 84 Ca 0.19 1.23 0.01 0.00 1.31 0.00 0.00 55.95 58.69 1fjc s SER 84 Cb -0.16 -2.35 0.04 0.00 0.21 0.00 0.00 66.02 63.76 1fjc s SER 84 CO 0.09 -0.22 -0.11 -0.76 0.41 0.00 0.00 173.24 172.66 1fjc s LEU 85 N -3.08 2.31 -0.57 2.44 1.43 -1.26 0.25 118.68 120.20 1fjc s LEU 85 Ca 0.53 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1fjc s LEU 85 Cb -0.10 -1.25 0.15 0.00 0.03 0.00 0.00 46.19 45.01 1fjc s LEU 85 CO 0.19 -0.14 0.35 -0.31 0.23 0.00 0.00 176.35 176.68 1fjc s TYR 86 N 1.38 3.33 0.73 0.29 2.02 0.27 -4.71 117.35 120.66 1fjc s TYR 86 Ca -0.01 -2.91 -0.01 0.00 -0.37 0.00 0.00 57.07 53.78 1fjc s TYR 86 Cb -0.16 -3.04 0.13 0.00 -0.40 0.00 0.00 41.96 38.49 1fjc s TYR 86 CO -0.08 -0.81 1.00 1.52 -1.57 0.00 0.00 175.55 175.61 1fjc s TYR 87 N -0.10 1.50 -0.44 2.71 1.13 -1.26 0.02 117.35 120.91 1fjc s TYR 87 Ca 0.17 -0.31 -0.32 0.00 -1.41 0.00 0.00 57.07 55.20 1fjc s TYR 87 Cb -0.22 -2.98 0.05 0.00 -1.10 0.00 0.00 41.96 37.70 1fjc s TYR 87 CO -0.02 -1.75 0.59 0.25 -2.51 0.00 0.00 175.55 172.12 1fjc n THR 88 N -2.85 -3.37 -0.89 -3.49 -2.24 -0.01 -0.10 114.28 101.32 1fjc n THR 88 Ca 0.15 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1fjc n THR 88 Cb 0.61 -3.08 0.00 0.00 -2.10 0.00 0.00 70.33 65.76 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 -0.30 0.52 2.63 3.38 0.00 -1.26 -2.80 105.19 107.35 1fjc n GLY 89 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.83 -0.67 0.17 1.61 0.28 0.85 -4.83 120.64 116.22 1fjc n GLU 90 Ca 0.00 0.17 0.18 0.00 -0.16 0.00 0.00 57.16 57.34 1fjc n GLU 90 Cb 0.07 -3.74 0.69 0.00 1.43 0.00 0.00 31.44 29.89 1fjc n GLU 90 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1fjc h LYS 91 N 0.81 0.00 0.00 3.44 3.64 -1.34 -3.43 116.57 119.70 1fjc h LYS 91 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1fjc h LYS 91 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1fjc h LYS 91 CO 0.00 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.59 1fjc n GLY 92 N -1.41 0.52 0.00 5.01 0.00 -1.25 -3.51 105.19 104.54 1fjc n GLY 92 Ca 0.05 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 -1.98 2.38 -0.02 0.00 -1.26 -4.52 105.19 99.80 1fjc n GLY 93 Ca 0.00 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1fjc n GLY 93 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1fjc n THR 94 N 0.00 3.57 -3.68 2.61 5.66 -1.26 -4.90 114.28 116.28 1fjc n THR 94 Ca 0.00 -3.03 -0.23 0.00 -3.05 0.00 0.00 64.05 57.75 1fjc n THR 94 Cb 0.00 -1.19 0.01 0.00 -1.55 0.00 0.00 70.33 67.60 1fjc n THR 94 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1fjc n ARG 95 N -0.76 -1.35 0.00 1.09 0.63 -1.23 -5.22 116.66 109.82 1fjc n ARG 95 Ca 0.59 0.80 0.03 0.00 -0.92 0.00 0.00 57.85 58.35 1fjc n ARG 95 Cb 0.60 -3.08 0.02 0.00 0.45 0.00 0.00 32.46 30.45 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53