#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 3.26 -0.23 0.66 0.09 -1.26 -5.04 115.29 112.77 1fjc s HIS 2 Ca 0.00 0.66 -0.04 0.00 -0.00 0.00 0.00 55.06 55.68 1fjc s HIS 2 Cb 0.00 -2.80 -0.01 0.00 -0.00 0.00 0.00 32.58 29.78 1fjc s HIS 2 CO 0.00 -0.33 -0.02 -1.64 -0.00 0.00 0.00 174.74 172.75 1fjc s MET 3 N 2.41 3.35 -0.60 1.40 1.00 -1.26 -5.00 119.30 120.60 1fjc s MET 3 Ca 0.23 -0.65 -0.06 0.00 0.00 0.00 0.00 55.69 55.21 1fjc s MET 3 Cb -0.15 -3.08 -0.06 0.00 0.00 0.00 0.00 34.83 31.53 1fjc s MET 3 CO 0.09 -0.23 3.03 -0.11 0.00 0.00 0.00 175.02 177.80 1fjc n LEU 4 N 4.81 6.62 0.00 -0.03 7.94 -1.26 -4.55 117.00 130.53 1fjc n LEU 4 Ca -0.17 -3.94 0.07 0.00 -1.11 0.00 0.00 56.01 50.85 1fjc n LEU 4 Cb 0.50 -1.36 0.34 0.00 0.53 0.00 0.00 43.42 43.43 1fjc n LEU 4 CO 0.29 1.82 0.68 1.21 -1.11 0.00 0.00 177.39 180.28 1fjc n GLU 5 N 1.93 0.18 -3.25 1.96 4.07 -1.26 -4.90 120.64 119.38 1fjc n GLU 5 Ca 0.53 0.17 -0.22 0.00 -0.06 0.00 0.00 57.16 57.58 1fjc n GLU 5 Cb 0.58 -1.50 0.02 0.00 -0.06 0.00 0.00 31.44 30.48 1fjc n GLU 5 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1fjc n ASP 6 N -1.30 -6.60 -0.95 4.31 2.03 -1.26 -4.80 116.55 107.97 1fjc n ASP 6 Ca 0.06 0.02 -0.01 0.00 0.52 0.00 0.00 54.79 55.38 1fjc n ASP 6 Cb 0.11 -3.45 0.04 0.00 -0.72 0.00 0.00 41.12 37.10 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 -0.68 1.35 -0.41 -0.67 -0.04 -1.26 -4.09 135.00 129.20 1fjc n PRO 7 Ca -0.03 -0.44 0.04 0.00 -0.04 0.00 0.00 63.50 63.04 1fjc n PRO 7 Cb 0.58 -1.37 0.21 0.00 -0.04 0.00 0.00 33.50 32.88 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 2.17 0.11 -7.06 0.00 1.35 -1.95 -3.43 112.91 104.10 1fjc h THR 9 Ca 0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 66.41 65.25 1fjc h THR 9 Cb 1.11 0.15 -0.32 0.00 -1.73 0.00 0.00 68.15 67.36 1fjc h THR 9 CO 0.20 0.00 -0.90 -1.20 -0.25 0.00 0.00 175.52 173.37 1fjc n SER 10 N -3.65 -1.88 0.06 5.36 7.64 -1.26 -4.84 113.62 115.04 1fjc n SER 10 Ca 0.28 -1.19 -0.03 0.00 1.01 0.00 0.00 58.87 58.94 1fjc n SER 10 Cb 1.51 -1.93 -0.02 0.00 -1.01 0.00 0.00 64.21 62.77 1fjc n SER 10 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1fjc h LYS 11 N -1.15 -0.21 -0.02 1.43 1.57 -1.95 -3.15 116.57 113.08 1fjc h LYS 11 Ca -0.60 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1fjc h LYS 11 Cb 1.39 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.75 1fjc h LYS 11 CO 0.84 -0.14 0.00 0.36 -0.57 0.00 0.00 179.45 179.94 1fjc n LYS 12 N -4.35 1.07 0.02 3.15 -0.00 -1.26 -3.02 118.16 113.77 1fjc n LYS 12 Ca -0.03 -0.10 0.01 0.00 -0.00 0.00 0.00 58.31 58.19 1fjc n LYS 12 Cb 0.09 -1.20 -0.09 0.00 -0.00 0.00 0.00 35.03 33.83 1fjc n LYS 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1fjc n VAL 13 N -0.59 1.04 -0.04 0.58 0.31 -1.24 -4.05 118.33 114.34 1fjc n VAL 13 Ca 0.09 -0.68 -0.08 0.00 -0.01 0.00 0.00 64.34 63.66 1fjc n VAL 13 Cb 0.07 -0.60 0.08 0.00 -0.91 0.00 0.00 33.84 32.47 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 0.67 0.00 5.55 -0.00 -1.49 -2.36 114.38 116.75 1fjc h ARG 14 Ca -0.17 -0.33 0.00 0.00 -0.50 0.00 0.00 59.98 58.98 1fjc h ARG 14 Cb 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.51 1fjc h ARG 14 CO 0.04 0.94 0.00 0.00 0.00 0.00 0.00 179.97 180.94 1fjc n ALA 15 N -2.51 1.57 0.07 0.04 0.00 -1.26 -2.33 120.51 116.09 1fjc n ALA 15 Ca -0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 1fjc n ALA 15 Cb 0.51 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 2.43 0.51 -0.07 0.00 0.00 -1.59 -2.88 119.26 117.66 1fjc h ALA 16 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1fjc h ALA 16 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1fjc h ALA 16 CO 0.00 0.84 0.00 2.89 0.00 0.00 0.00 179.25 182.98 1fjc n ARG 17 N -3.74 1.17 -4.09 0.00 1.85 -0.99 -4.43 116.66 106.43 1fjc n ARG 17 Ca -0.05 -0.27 -0.11 0.00 -1.00 0.00 0.00 57.85 56.43 1fjc n ARG 17 Cb 0.78 -1.06 -0.11 0.00 -1.05 0.00 0.00 32.46 31.03 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 -1.90 0.48 0.20 8.89 2.01 -1.12 0.07 115.64 124.27 1fjc s THR 18 Ca 0.05 -1.49 -0.11 0.00 0.31 0.00 0.00 61.69 60.46 1fjc s THR 18 Cb 0.03 -1.10 -0.00 0.00 0.01 0.00 0.00 72.50 71.43 1fjc s THR 18 CO 0.03 -0.68 0.38 -1.48 -0.69 0.00 0.00 174.62 172.18 1fjc s LEU 19 N -2.31 0.62 -0.25 4.42 0.05 0.14 -3.65 118.68 117.70 1fjc s LEU 19 Ca -0.00 -0.87 -0.06 0.00 0.05 0.00 0.00 54.13 53.25 1fjc s LEU 19 Cb -0.01 1.47 -0.01 0.00 -2.05 0.00 0.00 46.19 45.58 1fjc s LEU 19 CO -0.03 -1.00 0.04 -0.22 -0.55 0.00 0.00 176.35 174.59 1fjc s LEU 20 N -2.98 3.37 0.30 1.48 2.96 0.28 0.17 118.68 124.26 1fjc s LEU 20 Ca 0.19 -0.37 -0.28 0.00 -0.22 0.00 0.00 54.13 53.45 1fjc s LEU 20 Cb 0.02 -1.86 -0.09 0.00 0.50 0.00 0.00 46.19 44.75 1fjc s LEU 20 CO 0.04 -0.06 1.04 0.00 -1.32 0.00 0.00 176.35 176.04 1fjc s ALA 21 N 1.55 3.31 0.28 5.97 0.00 0.70 0.26 121.76 133.84 1fjc s ALA 21 Ca 0.05 0.77 0.03 0.00 0.00 0.00 0.00 51.96 52.81 1fjc s ALA 21 Cb -0.15 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1fjc s ALA 21 CO 0.01 -0.07 0.16 0.15 0.00 0.00 0.00 175.76 176.01 1fjc s LYS 22 N -1.66 1.52 -0.81 0.00 -0.14 0.34 0.16 119.74 119.14 1fjc s LYS 22 Ca 0.47 -1.85 0.00 0.00 -1.36 0.00 0.00 55.97 53.22 1fjc s LYS 22 Cb -0.28 -0.01 0.00 0.00 -1.68 0.00 0.00 37.83 35.86 1fjc s LYS 22 CO 0.35 -0.44 0.00 -1.71 -0.76 0.00 0.00 175.35 172.79 1fjc n ASN 23 N -0.82 -4.65 -3.25 2.83 5.15 0.01 -0.13 115.26 114.40 1fjc n ASN 23 Ca 0.02 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 54.19 1fjc n ASN 23 Cb 0.65 -2.82 0.00 0.00 -0.53 0.00 0.00 39.78 37.08 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 -0.87 0.00 -4.54 1.20 7.99 0.50 -4.53 117.00 116.75 1fjc n LEU 24 Ca -0.08 0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.67 1fjc n LEU 24 Cb 0.37 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.59 1fjc n LEU 24 CO 0.12 -0.55 -0.23 -0.55 -1.51 0.00 0.00 177.39 174.67 1fjc s SER 25 N -1.58 2.92 0.00 -1.43 0.15 -1.26 -4.60 113.70 107.89 1fjc s SER 25 Ca 0.00 -1.58 0.29 0.00 0.70 0.00 0.00 55.95 55.37 1fjc s SER 25 Cb 0.00 0.31 1.40 0.00 -1.71 0.00 0.00 66.02 66.01 1fjc s SER 25 CO 0.00 -0.81 1.99 0.49 1.20 0.00 0.00 173.24 176.11 1fjc n PHE 26 N -0.90 0.00 -0.08 3.44 3.01 -1.26 -3.86 117.46 117.81 1fjc n PHE 26 Ca -0.07 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.27 1fjc n PHE 26 Cb 0.66 -0.37 -0.07 0.00 -0.01 0.00 0.00 39.48 39.69 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 -1.37 2.41 -4.08 4.37 2.85 -1.26 -5.02 115.26 113.16 1fjc n ASN 27 Ca 0.11 -0.02 -0.36 0.00 -0.11 0.00 0.00 54.58 54.20 1fjc n ASN 27 Cb 0.28 -0.30 0.06 0.00 1.24 0.00 0.00 39.78 41.05 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 -3.14 0.00 -3.80 -1.44 3.06 -1.25 -5.00 119.36 107.79 1fjc n ILE 28 Ca -0.29 -0.26 -0.09 0.00 -2.50 0.00 0.00 62.75 59.62 1fjc n ILE 28 Cb 0.78 -0.15 0.03 0.00 0.54 0.00 0.00 39.64 40.84 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 -3.23 0.00 -0.27 9.51 -2.24 -1.26 -4.89 114.28 111.90 1fjc n THR 29 Ca -0.01 -0.97 0.25 0.00 -2.27 0.00 0.00 64.05 61.06 1fjc n THR 29 Cb 0.64 0.98 0.60 0.00 -2.10 0.00 0.00 70.33 70.44 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 0.37 -0.78 4.81 -1.91 -0.17 114.58 117.14 1fjc h GLU 30 Ca -0.33 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 1fjc h GLU 30 Cb 1.23 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1fjc h GLU 30 CO 0.42 0.16 -0.35 -0.44 -0.73 0.00 0.00 179.01 178.07 1fjc h ASP 31 N 0.25 -0.95 -0.73 1.04 3.32 -1.94 2.24 116.42 119.64 1fjc h ASP 31 Ca 0.52 0.07 0.11 0.00 0.02 0.00 0.00 57.03 57.75 1fjc h ASP 31 Cb 1.59 0.31 -0.05 0.00 0.22 0.00 0.00 39.33 41.40 1fjc h ASP 31 CO -0.15 -0.47 0.48 -0.33 -1.72 0.00 0.00 179.24 177.05 1fjc h GLU 32 N -0.71 0.57 -0.12 3.56 3.07 -1.62 0.51 114.58 119.85 1fjc h GLU 32 Ca -0.05 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.67 1fjc h GLU 32 Cb 0.61 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 1fjc h GLU 32 CO -0.03 0.38 -0.41 -0.07 -1.40 0.00 0.00 179.01 177.47 1fjc h LEU 33 N 0.59 0.29 -0.66 1.33 3.38 -0.01 0.63 115.31 120.86 1fjc h LEU 33 Ca 0.34 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 1fjc h LEU 33 Cb 0.54 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1fjc h LEU 33 CO -0.12 0.67 -0.43 0.50 0.09 0.00 0.00 178.44 179.16 1fjc h LYS 34 N 0.23 0.00 0.12 1.13 3.11 0.83 0.43 116.57 122.41 1fjc h LYS 34 Ca 0.02 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.59 1fjc h LYS 34 Cb 0.83 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.07 1fjc h LYS 34 CO 0.07 0.43 -1.23 1.49 -2.81 0.00 0.00 179.45 177.40 1fjc h GLU 35 N 0.00 0.29 0.18 1.90 4.57 0.24 -2.82 114.58 118.93 1fjc h GLU 35 Ca -0.00 -0.48 -0.34 0.00 -1.18 0.00 0.00 59.36 57.36 1fjc h GLU 35 Cb 1.06 0.17 0.01 0.00 -0.16 0.00 0.00 28.75 29.83 1fjc h GLU 35 CO 0.06 1.22 -1.63 0.28 -1.18 0.00 0.00 179.01 177.76 1fjc h VAL 36 N 0.09 1.08 -2.00 0.32 2.07 -0.78 -3.35 116.25 113.67 1fjc h VAL 36 Ca -0.13 -2.64 -0.74 0.00 0.82 0.00 0.00 66.70 64.00 1fjc h VAL 36 Cb 1.95 2.82 -0.30 0.00 -1.52 0.00 0.00 31.29 34.24 1fjc h VAL 36 CO 0.20 0.84 0.71 0.49 0.02 0.00 0.00 177.57 179.83 1fjc n PHE 37 N -3.58 3.06 0.18 1.57 3.72 0.15 -4.72 117.46 117.83 1fjc n PHE 37 Ca -0.21 -2.58 0.02 0.00 -0.05 0.00 0.00 57.45 54.64 1fjc n PHE 37 Cb 1.07 -0.99 0.11 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.41 0.00 -0.36 -1.08 -0.58 -1.06 -1.25 120.64 115.89 1fjc n GLU 38 Ca 0.49 0.41 0.09 0.00 -0.42 0.00 0.00 57.16 57.74 1fjc n GLU 38 Cb 0.31 -1.50 0.28 0.00 -0.57 0.00 0.00 31.44 29.96 1fjc n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1fjc n ASP 39 N -1.50 3.50 -4.77 1.62 -0.08 -1.26 -4.93 116.55 109.12 1fjc n ASP 39 Ca 0.01 -2.09 -0.23 0.00 -1.51 0.00 0.00 54.79 50.97 1fjc n ASP 39 Cb 0.06 -0.44 -0.06 0.00 2.34 0.00 0.00 41.12 43.02 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 -1.32 3.67 -0.03 -1.67 0.00 -0.38 -4.33 121.76 117.70 1fjc s ALA 40 Ca 0.42 -1.92 -0.22 0.00 0.00 0.00 0.00 51.96 50.24 1fjc s ALA 40 Cb 0.23 -0.71 -0.27 0.00 0.00 0.00 0.00 23.12 22.37 1fjc s ALA 40 CO 0.26 -0.09 0.99 -0.07 0.00 0.00 0.00 175.76 176.86 1fjc h LEU 41 N 1.37 0.42 -7.57 0.00 3.38 0.04 -3.46 115.31 109.50 1fjc h LEU 41 Ca -0.43 -0.85 0.12 0.00 0.09 0.00 0.00 57.88 56.81 1fjc h LEU 41 Cb 1.26 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.79 1fjc h LEU 41 CO 0.64 1.22 0.40 -1.61 0.09 0.00 0.00 178.44 179.18 1fjc s GLU 42 N -2.84 1.28 0.05 1.13 2.02 -0.99 -5.03 118.70 114.31 1fjc s GLU 42 Ca -0.14 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.20 1fjc s GLU 42 Cb 0.02 0.47 -0.03 0.00 0.10 0.00 0.00 34.13 34.68 1fjc s GLU 42 CO 0.80 -0.58 -0.06 0.42 0.02 0.00 0.00 175.26 175.87 1fjc s ILE 43 N -3.45 0.40 0.28 -1.63 1.01 -1.26 -0.88 121.20 115.67 1fjc s ILE 43 Ca 0.10 -1.31 0.04 0.00 0.00 0.00 0.00 60.65 59.48 1fjc s ILE 43 Cb -0.02 -0.86 -0.06 0.00 0.01 0.00 0.00 42.46 41.53 1fjc s ILE 43 CO 0.00 -0.60 0.00 -0.60 0.00 0.00 0.00 174.94 173.74 1fjc s ARG 44 N -2.34 1.50 0.35 2.79 3.52 0.48 -4.77 118.95 120.48 1fjc s ARG 44 Ca -0.05 -1.79 0.08 0.00 -0.13 0.00 0.00 55.73 53.84 1fjc s ARG 44 Cb -0.04 -0.84 -0.03 0.00 -1.56 0.00 0.00 34.95 32.48 1fjc s ARG 44 CO -0.03 -0.09 0.30 -1.17 -0.81 0.00 0.00 175.30 173.50 1fjc s LEU 45 N -3.40 3.54 -0.21 -0.88 2.96 -1.26 0.87 118.68 120.30 1fjc s LEU 45 Ca 0.31 -0.55 -0.14 0.00 -0.22 0.00 0.00 54.13 53.53 1fjc s LEU 45 Cb 0.06 -2.16 0.06 0.00 0.50 0.00 0.00 46.19 44.65 1fjc s LEU 45 CO 0.12 -0.40 0.53 -0.69 -1.32 0.00 0.00 176.35 174.59 1fjc s VAL 46 N -2.34 -0.01 0.02 1.68 1.01 0.76 -4.54 120.40 116.98 1fjc s VAL 46 Ca 0.42 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1fjc s VAL 46 Cb -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1fjc s VAL 46 CO 0.27 0.01 0.01 -1.54 0.00 0.00 0.00 175.10 173.85 1fjc n SER 47 N 3.77 1.45 0.00 3.32 3.41 -1.26 -0.22 113.62 124.09 1fjc n SER 47 Ca -0.19 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 1fjc n SER 47 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.36 0.00 0.00 4.33 7.27 -0.87 -4.70 117.38 123.05 1fjc n GLN 48 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1fjc n GLN 48 Cb 0.03 -0.08 0.00 0.00 2.41 0.00 0.00 30.24 32.59 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 0.00 0.15 -0.87 1.69 -0.08 -1.26 -4.86 116.55 111.31 1fjc n ASP 49 Ca 0.00 -0.50 -0.00 0.00 -1.51 0.00 0.00 54.79 52.78 1fjc n ASP 49 Cb 0.00 0.62 0.00 0.00 2.34 0.00 0.00 41.12 44.08 1fjc n ASP 49 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1fjc n GLY 50 N 0.62 -0.63 3.56 0.27 0.00 -1.26 -5.13 105.19 102.62 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 1.25 0.00 0.00 0.00 173.32 174.57 1fjc s LYS 51 N 0.00 0.27 0.10 1.61 2.20 -1.26 -5.13 119.74 117.53 1fjc s LYS 51 Ca 0.00 0.52 -0.27 0.00 -0.36 0.00 0.00 55.97 55.86 1fjc s LYS 51 Cb 0.00 0.14 -0.15 0.00 -1.51 0.00 0.00 37.83 36.31 1fjc s LYS 51 CO -0.00 -0.07 0.61 0.45 -0.36 0.00 0.00 175.35 175.98 1fjc n SER 52 N 3.90 -0.61 0.00 1.43 2.88 -1.26 -2.05 113.62 117.92 1fjc n SER 52 Ca -0.15 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 1fjc n SER 52 Cb 0.56 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 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 0.98 1.81 0.00 -1.46 4.81 -1.25 -4.59 118.16 118.46 1fjc n LYS 53 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1fjc n LYS 53 Cb 0.15 -0.83 0.00 0.00 0.02 0.00 0.00 35.03 34.36 1fjc n LYS 53 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fjc n GLY 54 N 1.78 1.68 3.75 3.14 0.00 -1.24 -4.70 105.19 109.61 1fjc n GLY 54 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 3.28 0.06 -0.61 1.01 0.69 -0.37 121.20 123.26 1fjc s ILE 55 Ca 0.00 -1.65 -0.27 0.00 0.00 0.00 0.00 60.65 58.73 1fjc s ILE 55 Cb 0.00 -3.03 0.09 0.00 0.01 0.00 0.00 42.46 39.53 1fjc s ILE 55 CO 0.00 -0.22 0.90 0.00 0.00 0.00 0.00 174.94 175.62 1fjc s ALA 56 N -2.37 -1.75 -0.16 9.38 0.00 0.41 0.27 121.76 127.55 1fjc s ALA 56 Ca 0.37 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.96 1fjc s ALA 56 Cb -0.04 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 1fjc s ALA 56 CO 0.23 -0.83 -0.09 0.71 0.00 0.00 0.00 175.76 175.78 1fjc s TYR 57 N -3.21 2.90 -0.20 0.00 2.02 0.25 0.25 117.35 119.36 1fjc s TYR 57 Ca 0.08 -0.64 -0.02 0.00 -0.37 0.00 0.00 57.07 56.11 1fjc s TYR 57 Cb -0.01 -1.93 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 1fjc s TYR 57 CO -0.05 -0.26 -0.11 0.42 -1.57 0.00 0.00 175.55 173.99 1fjc s ILE 58 N 0.62 2.86 -0.18 2.71 -1.09 0.45 0.18 121.20 126.75 1fjc s ILE 58 Ca -0.05 -0.67 -0.03 0.00 -2.23 0.00 0.00 60.65 57.67 1fjc s ILE 58 Cb -0.15 -2.26 -0.01 0.00 -1.58 0.00 0.00 42.46 38.45 1fjc s ILE 58 CO 0.03 0.47 -0.07 -1.61 -1.23 0.00 0.00 174.94 172.53 1fjc s GLU 59 N 1.33 3.45 0.51 2.79 0.41 -0.06 0.27 118.70 127.40 1fjc s GLU 59 Ca 0.04 -0.62 0.07 0.00 -0.41 0.00 0.00 54.97 54.06 1fjc s GLU 59 Cb -0.14 -2.88 0.03 0.00 -1.78 0.00 0.00 34.13 29.36 1fjc s GLU 59 CO -0.06 0.03 0.48 -0.06 -0.49 0.00 0.00 175.26 175.15 1fjc s PHE 60 N 0.89 1.92 -0.08 1.61 0.40 0.11 0.71 117.98 123.54 1fjc s PHE 60 Ca -0.01 -0.71 0.30 0.00 -0.60 0.00 0.00 56.93 55.91 1fjc s PHE 60 Cb -0.15 -2.06 1.04 0.00 0.51 0.00 0.00 43.02 42.36 1fjc s PHE 60 CO 0.01 -0.51 1.86 -0.22 0.70 0.00 0.00 175.22 177.07 1fjc h LYS 61 N 0.72 0.00 -2.58 0.44 3.64 -1.83 -3.41 116.57 113.55 1fjc h LYS 61 Ca -0.37 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1fjc h LYS 61 Cb 1.29 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.96 1fjc h LYS 61 CO 0.54 0.00 0.32 -1.12 -2.27 0.00 0.00 179.45 176.92 1fjc s SER 62 N -5.85 -0.50 0.38 4.20 0.01 -1.26 -4.99 113.70 105.69 1fjc s SER 62 Ca 0.03 0.10 0.14 0.00 1.31 0.00 0.00 55.95 57.53 1fjc s SER 62 Cb 0.08 0.51 0.98 0.00 0.21 0.00 0.00 66.02 67.79 1fjc s SER 62 CO 0.58 -0.78 1.82 -0.33 0.41 0.00 0.00 173.24 174.95 1fjc h GLU 63 N 2.13 0.50 -0.67 12.44 3.07 -1.85 0.17 114.58 130.37 1fjc h GLU 63 Ca -0.28 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.49 1fjc h GLU 63 Cb 1.26 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 29.03 1fjc h GLU 63 CO 0.35 0.33 0.19 0.00 -1.40 0.00 0.00 179.01 178.49 1fjc h ALA 64 N 1.62 0.88 0.09 3.43 0.00 -1.95 1.29 119.26 124.61 1fjc h ALA 64 Ca 0.51 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1fjc h ALA 64 Cb 1.12 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1fjc h ALA 64 CO -0.25 0.57 -0.04 -0.44 0.00 0.00 0.00 179.25 179.09 1fjc h ASP 65 N 0.99 -0.10 -0.61 0.00 3.32 -1.09 1.46 116.42 120.39 1fjc h ASP 65 Ca 0.21 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 1fjc h ASP 65 Cb 0.33 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1fjc h ASP 65 CO -0.00 0.26 0.13 0.00 -1.72 0.00 0.00 179.24 177.90 1fjc h ALA 66 N 0.39 1.03 -0.02 3.45 0.00 -0.98 -0.05 119.26 123.07 1fjc h ALA 66 Ca -0.01 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1fjc h ALA 66 Cb 0.40 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1fjc h ALA 66 CO 0.02 0.63 -0.43 1.49 0.00 0.00 0.00 179.25 180.96 1fjc h GLU 67 N 0.96 0.32 -0.98 0.00 4.57 0.18 -0.15 114.58 119.47 1fjc h GLU 67 Ca 0.20 -0.32 0.02 0.00 -1.18 0.00 0.00 59.36 58.07 1fjc h GLU 67 Cb 0.38 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.01 1fjc h GLU 67 CO 0.01 1.01 0.65 -0.22 -1.18 0.00 0.00 179.01 179.27 1fjc h LYS 68 N -0.24 1.27 0.12 1.92 3.11 0.21 -0.21 116.57 122.76 1fjc h LYS 68 Ca -0.05 -0.08 -0.01 0.00 -2.81 0.00 0.00 60.65 57.71 1fjc h LYS 68 Cb 1.14 -0.29 0.00 0.00 -1.00 0.00 0.00 32.23 32.09 1fjc h LYS 68 CO 0.09 0.84 -0.06 -0.91 -2.81 0.00 0.00 179.45 176.60 1fjc h ASN 69 N 1.31 -0.14 -0.97 4.20 -0.26 -1.03 1.37 115.58 120.06 1fjc h ASN 69 Ca 0.37 -0.42 0.24 0.00 -0.56 0.00 0.00 56.30 55.93 1fjc h ASN 69 Cb -0.11 0.04 -0.13 0.00 -1.06 0.00 0.00 38.32 37.06 1fjc h ASN 69 CO -0.09 0.41 0.53 0.25 -1.06 0.00 0.00 177.43 177.47 1fjc h LEU 70 N -0.78 0.55 0.06 1.61 6.46 -0.81 0.42 115.31 122.83 1fjc h LEU 70 Ca -0.02 0.14 -0.30 0.00 -0.12 0.00 0.00 57.88 57.59 1fjc h LEU 70 Cb 0.55 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 1fjc h LEU 70 CO 0.03 0.06 -1.61 -0.08 -0.62 0.00 0.00 178.44 176.21 1fjc h GLU 71 N 0.51 0.13 -0.81 1.25 4.22 -1.00 -2.37 114.58 116.51 1fjc h GLU 71 Ca 0.62 -0.23 0.05 0.00 0.08 0.00 0.00 59.36 59.88 1fjc h GLU 71 Cb 1.18 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 1fjc h GLU 71 CO -0.50 0.89 0.53 1.49 -2.18 0.00 0.00 179.01 179.25 1fjc h GLU 72 N 0.04 0.93 0.00 1.92 4.57 0.39 -3.39 114.58 119.04 1fjc h GLU 72 Ca -0.26 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1fjc h GLU 72 Cb 1.99 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 30.37 1fjc h GLU 72 CO 0.12 0.62 -0.03 0.36 -1.18 0.00 0.00 179.01 178.89 1fjc n LYS 73 N -4.46 0.02 -3.12 1.92 0.00 -0.22 -5.04 118.16 107.25 1fjc n LYS 73 Ca 0.11 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1fjc n LYS 73 Cb 0.15 -0.34 0.00 0.00 -0.00 0.00 0.00 35.03 34.84 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 -3.13 -0.51 0.00 -1.58 0.00 -0.89 -3.93 117.38 107.34 1fjc n GLN 74 Ca -0.00 0.87 0.00 0.00 -0.00 0.00 0.00 57.00 57.87 1fjc n GLN 74 Cb 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 30.24 29.34 1fjc n GLN 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1fjc n GLY 75 N 1.60 3.10 0.00 1.69 0.00 0.39 -4.92 105.19 107.04 1fjc n GLY 75 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.63 -1.85 4.61 0.00 -1.19 0.29 120.51 121.73 1fjc n ALA 76 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1fjc n ALA 76 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.00 2.39 0.28 0.00 2.02 -1.26 -0.86 118.70 121.26 1fjc s GLU 77 Ca 0.00 0.81 0.03 0.00 0.02 0.00 0.00 54.97 55.83 1fjc s GLU 77 Cb 0.00 -4.52 -0.03 0.00 0.10 0.00 0.00 34.13 29.68 1fjc s GLU 77 CO 0.00 -3.05 0.23 0.42 0.02 0.00 0.00 175.26 172.89 1fjc s ILE 78 N 10.49 0.00 -1.76 -1.63 -1.09 0.69 -4.83 121.20 123.07 1fjc s ILE 78 Ca 0.79 -1.96 -0.15 0.00 -2.23 0.00 0.00 60.65 57.09 1fjc s ILE 78 Cb -0.14 -2.50 0.15 0.00 -1.58 0.00 0.00 42.46 38.39 1fjc s ILE 78 CO 0.20 0.00 0.38 -0.67 -1.23 0.00 0.00 174.94 173.63 1fjc n ASP 79 N -1.00 -0.82 -3.26 3.58 -0.08 -1.26 0.25 116.55 113.96 1fjc n ASP 79 Ca 0.05 -1.26 -0.23 0.00 -1.51 0.00 0.00 54.79 51.84 1fjc n ASP 79 Cb 0.64 -1.62 0.02 0.00 2.34 0.00 0.00 41.12 42.49 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 -1.63 -0.51 3.63 0.27 0.00 -1.26 -4.87 105.19 100.83 1fjc n GLY 80 Ca -0.05 0.12 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -5.93 0.52 -0.16 1.61 1.70 0.70 -5.13 118.95 112.26 1fjc s ARG 81 Ca 0.38 -0.28 -0.16 0.00 -0.47 0.00 0.00 55.73 55.21 1fjc s ARG 81 Cb -0.19 0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.34 1fjc s ARG 81 CO 0.47 -0.24 0.41 -1.54 -1.08 0.00 0.00 175.30 173.32 1fjc s SER 82 N -2.85 6.54 -0.27 -2.89 1.04 -1.26 0.25 113.70 114.26 1fjc s SER 82 Ca 0.13 0.63 -0.21 0.00 0.48 0.00 0.00 55.95 56.98 1fjc s SER 82 Cb 0.03 -2.24 -0.01 0.00 0.10 0.00 0.00 66.02 63.89 1fjc s SER 82 CO -0.03 -0.01 0.65 0.54 0.98 0.00 0.00 173.24 175.37 1fjc s VAL 83 N 0.85 4.95 0.21 5.02 0.11 0.84 -4.59 120.40 127.79 1fjc s VAL 83 Ca 0.21 1.08 0.00 0.00 -2.93 0.00 0.00 61.98 60.35 1fjc s VAL 83 Cb -0.14 -3.98 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 1fjc s VAL 83 CO 0.08 -0.05 0.38 -0.44 -3.33 0.00 0.00 175.10 171.74 1fjc s SER 84 N 1.52 6.36 -0.14 3.54 0.01 0.81 0.15 113.70 125.96 1fjc s SER 84 Ca 0.27 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1fjc s SER 84 Cb -0.15 -1.98 -0.01 0.00 0.21 0.00 0.00 66.02 64.09 1fjc s SER 84 CO 0.10 -0.05 -0.14 -0.76 0.41 0.00 0.00 173.24 172.79 1fjc s LEU 85 N -3.45 2.59 -0.56 2.44 2.01 -1.26 0.13 118.68 120.58 1fjc s LEU 85 Ca 0.37 -0.39 -0.05 0.00 0.01 0.00 0.00 54.13 54.08 1fjc s LEU 85 Cb -0.11 -1.58 0.15 0.00 0.01 0.00 0.00 46.19 44.66 1fjc s LEU 85 CO 0.29 0.14 0.39 -0.31 1.01 0.00 0.00 176.35 177.87 1fjc s TYR 86 N 0.52 3.49 0.76 0.29 1.51 0.74 -4.89 117.35 119.76 1fjc s TYR 86 Ca -0.10 -2.46 -0.09 0.00 -1.01 0.00 0.00 57.07 53.42 1fjc s TYR 86 Cb -0.16 -3.30 0.13 0.00 -0.11 0.00 0.00 41.96 38.52 1fjc s TYR 86 CO 0.04 -0.91 0.30 0.98 -1.11 0.00 0.00 175.55 174.86 1fjc n TYR 87 N 4.02 -2.09 -2.18 2.71 9.36 -1.26 0.10 117.16 127.82 1fjc n TYR 87 Ca 0.03 0.04 -0.02 0.00 3.32 0.00 0.00 57.90 61.27 1fjc n TYR 87 Cb 0.40 -1.10 0.02 0.00 -0.63 0.00 0.00 39.34 38.02 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 -3.90 0.00 -0.47 2.97 5.66 -1.24 -4.38 114.28 112.92 1fjc n THR 88 Ca 0.05 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1fjc n THR 88 Cb 0.21 0.50 0.00 0.00 -1.55 0.00 0.00 70.33 69.49 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 -0.39 -0.22 0.42 1.09 0.00 -1.10 -4.35 105.19 100.65 1fjc n GLY 89 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1fjc n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fjc n GLU 90 N -0.06 0.00 0.18 1.61 1.02 -1.26 -4.56 120.64 117.57 1fjc n GLU 90 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 1fjc n GLU 90 Cb 0.17 0.00 0.27 0.00 -0.02 0.00 0.00 31.44 31.86 1fjc n GLU 90 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1fjc h LYS 91 N 0.00 0.00 -6.37 3.49 3.64 -1.93 -3.45 116.57 111.96 1fjc h LYS 91 Ca 0.00 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 1fjc h LYS 91 Cb 0.00 0.00 0.20 0.00 -0.41 0.00 0.00 32.23 32.02 1fjc h LYS 91 CO 0.00 0.41 -0.87 0.41 -2.27 0.00 0.00 179.45 177.13 1fjc n GLY 92 N 0.45 -2.56 0.00 5.01 0.00 -1.26 -4.85 105.19 101.98 1fjc n GLY 92 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 2.20 -0.25 0.00 -0.02 0.00 -1.26 -4.97 105.19 100.89 1fjc n GLY 93 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.00 -1.68 2.61 -1.04 -1.26 -5.05 114.28 107.86 1fjc n THR 94 Ca 0.00 0.00 -0.65 0.00 -2.04 0.00 0.00 64.05 61.36 1fjc n THR 94 Cb 0.00 -0.04 -0.09 0.00 -1.82 0.00 0.00 70.33 68.37 1fjc n THR 94 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1fjc n ARG 95 N -0.24 0.00 0.00 -2.82 3.00 -1.26 -5.36 116.66 109.98 1fjc n ARG 95 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1fjc n ARG 95 Cb 0.00 -1.49 0.02 0.00 0.00 0.00 0.00 32.46 30.99 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04