#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 0.02 0.14 0.66 5.04 -1.26 -5.18 115.29 114.72 1fjc s HIS 2 Ca 0.00 -0.22 0.01 0.00 -1.54 0.00 0.00 55.06 53.31 1fjc s HIS 2 Cb 0.00 -0.01 0.01 0.00 0.04 0.00 0.00 32.58 32.62 1fjc s HIS 2 CO 0.00 -0.44 0.05 -1.33 -2.34 0.00 0.00 174.74 170.68 1fjc n MET 3 N 0.70 1.49 -3.11 2.88 2.81 -1.26 -4.92 117.12 115.71 1fjc n MET 3 Ca -0.19 -0.98 -0.00 0.00 -1.81 0.00 0.00 57.70 54.72 1fjc n MET 3 Cb 0.59 0.19 -0.00 0.00 -0.71 0.00 0.00 33.22 33.29 1fjc n MET 3 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1fjc n LEU 4 N 0.00 -4.33 0.00 4.03 -0.00 -1.26 -5.00 117.00 110.43 1fjc n LEU 4 Ca -0.03 0.61 0.00 0.00 -0.00 0.00 0.00 56.01 56.59 1fjc n LEU 4 Cb 0.17 -1.86 0.00 0.00 -0.00 0.00 0.00 43.42 41.73 1fjc n LEU 4 CO 0.10 -1.80 0.00 -0.62 -0.00 0.00 0.00 177.39 175.06 1fjc n GLU 5 N 1.28 3.40 -0.48 1.96 4.71 -1.26 -5.10 120.64 125.15 1fjc n GLU 5 Ca -0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.00 1fjc n GLU 5 Cb 0.40 0.00 0.14 0.00 -1.01 0.00 0.00 31.44 30.97 1fjc n GLU 5 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1fjc n ASP 6 N -0.19 -3.03 -1.18 1.62 8.00 -1.26 -4.74 116.55 115.77 1fjc n ASP 6 Ca 0.00 -0.42 -0.03 0.00 0.71 0.00 0.00 54.79 55.05 1fjc n ASP 6 Cb 0.00 -0.72 0.02 0.00 -0.02 0.00 0.00 41.12 40.40 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 -1.31 1.15 -1.00 -0.24 -0.04 -1.26 -4.74 135.00 127.56 1fjc n PRO 7 Ca 0.07 -0.36 -0.00 0.00 -0.04 0.00 0.00 63.50 63.16 1fjc n PRO 7 Cb 0.29 -1.14 -0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.00 0.12 -1.50 0.00 2.02 -1.99 -3.43 112.91 108.14 1fjc h THR 9 Ca -0.00 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.92 1fjc h THR 9 Cb 0.45 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 1fjc h THR 9 CO 0.00 0.00 -0.31 -0.24 0.37 0.00 0.00 175.52 175.34 1fjc n SER 10 N -3.60 -4.23 -0.11 4.18 2.88 -1.26 -4.91 113.62 106.58 1fjc n SER 10 Ca 0.25 0.09 -0.17 0.00 -1.33 0.00 0.00 58.87 57.70 1fjc n SER 10 Cb 1.42 -3.26 -0.06 0.00 -0.75 0.00 0.00 64.21 61.57 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 -2.36 0.55 0.00 -1.46 4.76 -1.26 -4.32 118.16 114.06 1fjc n LYS 11 Ca -0.15 0.28 0.11 0.00 -2.87 0.00 0.00 58.31 55.69 1fjc n LYS 11 Cb 0.56 -1.50 0.67 0.00 -1.84 0.00 0.00 35.03 32.92 1fjc n LYS 11 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1fjc n LYS 12 N -4.39 0.95 0.07 1.97 5.02 -1.26 -2.95 118.16 117.57 1fjc n LYS 12 Ca -0.30 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 55.95 1fjc n LYS 12 Cb 0.65 -1.37 -0.08 0.00 -0.02 0.00 0.00 35.03 34.21 1fjc n LYS 12 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1fjc h VAL 13 N 0.00 1.28 0.34 -0.18 2.07 -1.75 -3.27 116.25 114.74 1fjc h VAL 13 Ca 0.00 -2.90 -0.02 0.00 0.82 0.00 0.00 66.70 64.60 1fjc h VAL 13 Cb 0.00 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1fjc h VAL 13 CO 0.00 0.73 -0.16 0.03 0.02 0.00 0.00 177.57 178.19 1fjc h ARG 14 N 0.00 -0.43 -0.43 1.57 2.47 -1.73 -3.07 114.38 112.75 1fjc h ARG 14 Ca -0.05 0.03 0.12 0.00 -1.26 0.00 0.00 59.98 58.82 1fjc h ARG 14 Cb 1.68 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 30.08 1fjc h ARG 14 CO 0.10 -0.22 0.77 0.00 0.56 0.00 0.00 179.97 181.17 1fjc h ALA 15 N -0.97 2.18 0.00 0.04 0.00 -1.71 0.70 119.26 119.50 1fjc h ALA 15 Ca -0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1fjc h ALA 15 Cb 0.41 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1fjc h ALA 15 CO 0.08 -0.99 -0.25 0.00 0.00 0.00 0.00 179.25 178.09 1fjc h ALA 16 N 0.87 1.43 0.00 0.00 0.00 -1.58 -2.33 119.26 117.66 1fjc h ALA 16 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1fjc h ALA 16 Cb 1.73 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1fjc h ALA 16 CO -0.00 0.31 0.36 0.07 0.00 0.00 0.00 179.25 179.98 1fjc h ARG 17 N 0.00 0.00 -6.16 0.00 0.11 0.31 -3.40 114.38 105.24 1fjc h ARG 17 Ca -0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.49 1fjc h ARG 17 Cb 0.48 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.52 1fjc h ARG 17 CO 0.03 0.00 -0.17 0.99 0.10 0.00 0.00 179.97 180.92 1fjc s THR 18 N -4.09 4.98 -0.15 0.08 2.01 -0.88 0.26 115.64 117.85 1fjc s THR 18 Ca -0.03 0.69 -0.00 0.00 0.31 0.00 0.00 61.69 62.66 1fjc s THR 18 Cb 0.08 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.93 1fjc s THR 18 CO 0.26 0.35 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.25 1fjc s LEU 19 N -1.71 1.55 -0.73 4.42 0.20 0.74 -2.59 118.68 120.55 1fjc s LEU 19 Ca 0.32 -0.56 -0.26 0.00 0.69 0.00 0.00 54.13 54.32 1fjc s LEU 19 Cb -0.15 -0.95 0.03 0.00 -0.43 0.00 0.00 46.19 44.70 1fjc s LEU 19 CO 0.17 -0.15 1.25 -0.22 -0.29 0.00 0.00 176.35 177.11 1fjc s LEU 20 N 1.62 3.30 -0.17 -0.68 2.96 0.20 -0.21 118.68 125.70 1fjc s LEU 20 Ca 0.02 -0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 53.13 1fjc s LEU 20 Cb -0.14 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 1fjc s LEU 20 CO -0.08 -1.79 1.21 0.00 -1.32 0.00 0.00 176.35 174.37 1fjc s ALA 21 N 5.55 3.65 0.44 5.97 0.00 0.65 -0.48 121.76 137.54 1fjc s ALA 21 Ca 0.34 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.75 1fjc s ALA 21 Cb -0.09 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1fjc s ALA 21 CO 0.14 -1.11 0.05 0.21 0.00 0.00 0.00 175.76 175.06 1fjc s LYS 22 N 3.32 2.01 -0.89 0.00 2.20 0.13 0.20 119.74 126.71 1fjc s LYS 22 Ca 0.53 -2.23 0.00 0.00 -0.36 0.00 0.00 55.97 53.91 1fjc s LYS 22 Cb -0.21 -1.16 0.00 0.00 -1.51 0.00 0.00 37.83 34.95 1fjc s LYS 22 CO 0.14 -0.34 0.00 -1.71 -0.36 0.00 0.00 175.35 173.08 1fjc n ASN 23 N -1.17 -5.47 -3.71 1.43 5.15 -0.28 0.34 115.26 111.56 1fjc n ASN 23 Ca -0.11 0.21 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 1fjc n ASN 23 Cb 0.66 -3.71 0.00 0.00 -0.53 0.00 0.00 39.78 36.21 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 -0.95 0.00 -4.56 1.20 7.99 -0.20 -4.65 117.00 115.84 1fjc n LEU 24 Ca -0.08 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.64 1fjc n LEU 24 Cb 0.52 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.75 1fjc n LEU 24 CO 0.13 -0.77 -0.19 -0.55 -1.51 0.00 0.00 177.39 174.50 1fjc s SER 25 N -1.98 3.05 0.04 -1.43 0.15 -1.26 -4.66 113.70 107.61 1fjc s SER 25 Ca 0.00 -1.71 0.27 0.00 0.70 0.00 0.00 55.95 55.21 1fjc s SER 25 Cb 0.00 0.57 0.86 0.00 -1.71 0.00 0.00 66.02 65.74 1fjc s SER 25 CO 0.00 -0.96 1.69 0.49 1.20 0.00 0.00 173.24 175.66 1fjc n PHE 26 N -0.99 0.20 -0.09 3.44 3.01 -1.26 -3.91 117.46 117.86 1fjc n PHE 26 Ca -0.08 0.06 -0.11 0.00 1.01 0.00 0.00 57.45 58.33 1fjc n PHE 26 Cb 0.65 -0.51 -0.11 0.00 -0.01 0.00 0.00 39.48 39.50 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 -1.68 1.72 -4.06 4.37 5.15 -1.26 -5.01 115.26 114.49 1fjc n ASN 27 Ca 0.06 -0.05 -0.36 0.00 -0.60 0.00 0.00 54.58 53.63 1fjc n ASN 27 Cb 0.36 0.34 0.05 0.00 -0.53 0.00 0.00 39.78 40.00 1fjc n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fjc n ILE 28 N -2.82 0.00 -3.83 -1.44 0.13 -1.25 -5.00 119.36 105.16 1fjc n ILE 28 Ca -0.30 -0.33 -0.07 0.00 -1.10 0.00 0.00 62.75 60.95 1fjc n ILE 28 Cb 0.95 -0.09 0.02 0.00 -0.84 0.00 0.00 39.64 39.67 1fjc n ILE 28 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 1fjc s THR 29 N -2.05 0.00 0.50 9.51 -4.23 -1.26 -4.94 115.64 113.17 1fjc s THR 29 Ca 0.41 -0.87 0.24 0.00 -1.18 0.00 0.00 61.69 60.30 1fjc s THR 29 Cb -0.11 -2.74 0.41 0.00 1.34 0.00 0.00 72.50 71.41 1fjc s THR 29 CO 0.76 0.00 1.93 -0.08 -0.54 0.00 0.00 174.62 176.70 1fjc h GLU 30 N 2.00 0.12 -0.10 3.99 4.81 -1.94 -0.31 114.58 123.16 1fjc h GLU 30 Ca -0.29 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1fjc h GLU 30 Cb 1.24 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1fjc h GLU 30 CO 0.37 0.08 0.05 -0.44 -0.73 0.00 0.00 179.01 178.34 1fjc h ASP 31 N 0.13 0.13 -0.46 1.04 5.19 -1.95 2.14 116.42 122.63 1fjc h ASP 31 Ca 0.35 -0.12 -0.14 0.00 -0.62 0.00 0.00 57.03 56.50 1fjc h ASP 31 Cb 1.21 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 1fjc h ASP 31 CO -0.05 0.21 -0.26 -0.33 -3.12 0.00 0.00 179.24 175.70 1fjc h GLU 32 N 0.04 0.99 -0.21 3.56 3.07 -1.53 0.71 114.58 121.21 1fjc h GLU 32 Ca 0.03 -0.45 -0.19 0.00 -0.50 0.00 0.00 59.36 58.26 1fjc h GLU 32 Cb 0.12 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1fjc h GLU 32 CO -0.00 1.12 -0.63 -0.07 -1.40 0.00 0.00 179.01 178.03 1fjc h LEU 33 N 0.84 0.83 -0.84 1.33 4.07 -0.93 0.11 115.31 120.72 1fjc h LEU 33 Ca 0.10 -0.48 -0.04 0.00 0.08 0.00 0.00 57.88 57.54 1fjc h LEU 33 Cb 0.85 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 1fjc h LEU 33 CO 0.07 1.25 -0.19 0.50 -1.08 0.00 0.00 178.44 179.00 1fjc h LYS 34 N 0.54 0.00 0.11 1.13 3.11 0.37 0.91 116.57 122.74 1fjc h LYS 34 Ca -0.01 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.56 1fjc h LYS 34 Cb 1.22 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.45 1fjc h LYS 34 CO 0.13 0.19 -1.27 1.49 -2.81 0.00 0.00 179.45 177.17 1fjc h GLU 35 N 0.00 0.24 0.13 1.90 4.81 0.82 -3.16 114.58 119.33 1fjc h GLU 35 Ca -0.00 -0.41 -0.34 0.00 -0.13 0.00 0.00 59.36 58.47 1fjc h GLU 35 Cb 0.84 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1fjc h GLU 35 CO 0.02 1.17 -1.83 0.28 -0.73 0.00 0.00 179.01 177.93 1fjc h VAL 36 N 0.07 0.76 -0.42 0.32 2.07 -0.56 -3.35 116.25 115.14 1fjc h VAL 36 Ca -0.14 -2.38 -0.28 0.00 0.82 0.00 0.00 66.70 64.72 1fjc h VAL 36 Cb 1.96 2.58 -0.12 0.00 -1.52 0.00 0.00 31.29 34.19 1fjc h VAL 36 CO 0.19 0.84 0.36 0.49 0.02 0.00 0.00 177.57 179.47 1fjc n PHE 37 N -3.62 1.34 0.28 1.57 3.72 0.31 -4.55 117.46 116.52 1fjc n PHE 37 Ca -0.29 -1.85 0.13 0.00 -0.05 0.00 0.00 57.45 55.39 1fjc n PHE 37 Cb 1.02 -0.90 0.68 0.00 -0.94 0.00 0.00 39.48 39.34 1fjc n PHE 37 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1fjc h GLU 38 N 1.43 0.00 -0.54 -1.08 4.39 -1.68 0.53 114.58 117.62 1fjc h GLU 38 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1fjc h GLU 38 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1fjc h GLU 38 CO 0.66 0.00 0.00 -3.47 -1.16 0.00 0.00 179.01 175.04 1fjc n ASP 39 N -2.63 2.71 -4.75 1.42 2.03 -1.26 -4.89 116.55 109.17 1fjc n ASP 39 Ca -0.02 -2.18 -0.23 0.00 0.52 0.00 0.00 54.79 52.89 1fjc n ASP 39 Cb 0.35 -0.39 -0.06 0.00 -0.72 0.00 0.00 41.12 40.30 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 -1.63 3.53 -0.09 -1.67 0.00 0.18 -4.22 121.76 117.86 1fjc s ALA 40 Ca 0.29 -1.73 -0.20 0.00 0.00 0.00 0.00 51.96 50.31 1fjc s ALA 40 Cb 0.17 -0.88 -0.28 0.00 0.00 0.00 0.00 23.12 22.13 1fjc s ALA 40 CO 0.15 0.08 0.70 -0.07 0.00 0.00 0.00 175.76 176.62 1fjc h LEU 41 N 1.53 0.35 -8.02 0.00 3.38 -1.39 -3.46 115.31 107.69 1fjc h LEU 41 Ca -0.44 -0.89 -0.04 0.00 0.09 0.00 0.00 57.88 56.60 1fjc h LEU 41 Cb 1.25 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.79 1fjc h LEU 41 CO 0.62 1.44 -0.08 -1.61 0.09 0.00 0.00 178.44 178.90 1fjc s GLU 42 N -2.42 1.45 0.06 1.13 2.02 -1.07 -5.03 118.70 114.85 1fjc s GLU 42 Ca -0.18 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 53.72 1fjc s GLU 42 Cb 0.02 0.48 -0.03 0.00 0.10 0.00 0.00 34.13 34.70 1fjc s GLU 42 CO 0.77 -0.61 -0.06 0.42 0.02 0.00 0.00 175.26 175.81 1fjc s ILE 43 N -3.96 0.49 0.16 -1.63 1.01 -1.26 -1.03 121.20 114.98 1fjc s ILE 43 Ca 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 60.65 59.32 1fjc s ILE 43 Cb -0.01 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 1fjc s ILE 43 CO 0.04 -0.69 0.04 -0.13 0.00 0.00 0.00 174.94 174.20 1fjc s ARG 44 N -2.81 1.05 0.30 2.79 1.81 0.39 -4.91 118.95 117.57 1fjc s ARG 44 Ca 0.00 -1.51 0.09 0.00 -1.72 0.00 0.00 55.73 52.59 1fjc s ARG 44 Cb -0.01 -0.02 -0.04 0.00 -0.45 0.00 0.00 34.95 34.42 1fjc s ARG 44 CO -0.03 -0.21 0.05 -1.17 -0.68 0.00 0.00 175.30 173.26 1fjc s LEU 45 N -3.13 3.18 -0.24 2.53 0.20 -1.26 -0.01 118.68 119.95 1fjc s LEU 45 Ca 0.25 -0.75 -0.12 0.00 0.69 0.00 0.00 54.13 54.21 1fjc s LEU 45 Cb 0.07 -1.66 0.09 0.00 -0.43 0.00 0.00 46.19 44.25 1fjc s LEU 45 CO 0.04 -0.14 0.56 -0.69 -0.29 0.00 0.00 176.35 175.83 1fjc s VAL 46 N -2.39 -0.30 0.00 1.68 1.01 0.77 -4.50 120.40 116.67 1fjc s VAL 46 Ca 0.34 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1fjc s VAL 46 Cb -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1fjc s VAL 46 CO 0.21 0.02 0.00 -1.54 0.00 0.00 0.00 175.10 173.79 1fjc n SER 47 N 4.69 1.24 -2.93 3.32 3.41 -1.26 -0.30 113.62 121.78 1fjc n SER 47 Ca -0.18 -0.71 -0.13 0.00 -0.26 0.00 0.00 58.87 57.59 1fjc n SER 47 Cb 0.55 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.60 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 0.00 -1.41 -0.07 4.33 6.02 0.16 -4.69 117.38 121.72 1fjc n GLN 48 Ca 0.00 -0.84 0.24 0.00 -0.01 0.00 0.00 57.00 56.39 1fjc n GLN 48 Cb 0.00 -0.69 0.56 0.00 1.02 0.00 0.00 30.24 31.13 1fjc n GLN 48 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1fjc h ASP 49 N -1.38 0.00 0.00 1.08 5.19 -2.01 -3.22 116.42 116.08 1fjc h ASP 49 Ca -0.19 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.11 1fjc h ASP 49 Cb 0.55 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.95 1fjc h ASP 49 CO 0.13 0.00 0.06 0.61 -3.12 0.00 0.00 179.24 176.91 1fjc n GLY 50 N -1.61 -0.64 3.38 2.75 0.00 -1.26 -5.13 105.19 102.67 1fjc n GLY 50 Ca 0.16 0.24 0.02 0.00 0.00 0.00 0.00 46.02 46.44 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 0.14 -0.00 1.61 2.20 -1.22 -5.12 119.74 117.41 1fjc s LYS 51 Ca 0.12 0.31 -0.32 0.00 -0.36 0.00 0.00 55.97 55.72 1fjc s LYS 51 Cb 0.19 0.15 -0.16 0.00 -1.51 0.00 0.00 37.83 36.49 1fjc s LYS 51 CO -0.08 -0.04 0.85 0.45 -0.36 0.00 0.00 175.35 176.17 1fjc n SER 52 N 4.29 0.00 -0.00 1.43 2.88 -1.26 0.37 113.62 121.33 1fjc n SER 52 Ca -0.10 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1fjc n SER 52 Cb 0.55 -0.73 -0.01 0.00 -0.75 0.00 0.00 64.21 63.28 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 1.21 2.73 -0.33 -1.46 3.00 -1.26 -4.52 118.16 117.53 1fjc n LYS 53 Ca 0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1fjc n LYS 53 Cb 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 35.03 34.27 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 1.88 1.45 3.59 3.14 0.00 -1.24 -4.64 105.19 109.37 1fjc n GLY 54 Ca -0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 3.44 -0.01 -0.61 -1.09 0.59 -1.03 121.20 120.48 1fjc s ILE 55 Ca 0.00 -1.27 -0.12 0.00 -2.23 0.00 0.00 60.65 57.03 1fjc s ILE 55 Cb 0.00 -2.62 0.02 0.00 -1.58 0.00 0.00 42.46 38.28 1fjc s ILE 55 CO 0.00 0.09 0.26 0.00 -1.23 0.00 0.00 174.94 174.06 1fjc s ALA 56 N -1.26 -0.64 -0.47 9.38 0.00 0.53 0.27 121.76 129.57 1fjc s ALA 56 Ca 0.22 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 1fjc s ALA 56 Cb -0.11 0.07 0.10 0.00 0.00 0.00 0.00 23.12 23.18 1fjc s ALA 56 CO 0.14 -0.24 0.36 0.71 0.00 0.00 0.00 175.76 176.73 1fjc s TYR 57 N -1.29 3.34 -0.16 0.00 1.51 0.98 -0.25 117.35 121.47 1fjc s TYR 57 Ca -0.13 -1.51 -0.11 0.00 -1.01 0.00 0.00 57.07 54.31 1fjc s TYR 57 Cb -0.06 -3.35 -0.05 0.00 -0.11 0.00 0.00 41.96 38.39 1fjc s TYR 57 CO 0.03 -0.93 0.19 0.42 -1.11 0.00 0.00 175.55 174.16 1fjc s ILE 58 N 1.47 5.38 -0.46 2.71 -1.09 0.71 0.15 121.20 130.07 1fjc s ILE 58 Ca 0.04 0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.82 1fjc s ILE 58 Cb -0.26 -3.52 0.12 0.00 -1.58 0.00 0.00 42.46 37.23 1fjc s ILE 58 CO 0.02 0.47 0.20 -1.83 -1.23 0.00 0.00 174.94 172.57 1fjc s GLU 59 N 0.05 1.88 0.96 2.79 -1.05 -0.20 0.26 118.70 123.39 1fjc s GLU 59 Ca 0.13 -2.26 -0.16 0.00 -0.15 0.00 0.00 54.97 52.53 1fjc s GLU 59 Cb -0.12 -3.36 0.23 0.00 -0.44 0.00 0.00 34.13 30.44 1fjc s GLU 59 CO 0.02 -1.05 1.06 1.19 0.95 0.00 0.00 175.26 177.42 1fjc n PHE 60 N 3.73 -3.89 0.26 4.83 3.01 0.71 -1.25 117.46 124.86 1fjc n PHE 60 Ca 0.04 -0.95 0.13 0.00 1.01 0.00 0.00 57.45 57.68 1fjc n PHE 60 Cb 0.37 -0.94 0.24 0.00 -0.01 0.00 0.00 39.48 39.14 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 -1.42 -1.08 3.11 -1.79 -3.40 116.57 111.98 1fjc h LYS 61 Ca -0.37 0.00 0.32 0.00 -2.81 0.00 0.00 60.65 57.79 1fjc h LYS 61 Cb 1.06 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 32.16 1fjc h LYS 61 CO 0.25 0.00 0.84 -1.54 -2.81 0.00 0.00 179.45 176.19 1fjc s SER 62 N -6.02 -0.07 0.37 4.20 1.04 -1.26 -4.96 113.70 107.00 1fjc s SER 62 Ca 0.07 -0.10 0.15 0.00 0.48 0.00 0.00 55.95 56.54 1fjc s SER 62 Cb 0.06 0.15 1.00 0.00 0.10 0.00 0.00 66.02 67.33 1fjc s SER 62 CO 0.65 -0.27 1.78 -0.08 0.98 0.00 0.00 173.24 176.31 1fjc h GLU 63 N 2.00 0.48 -0.66 4.02 4.81 -1.76 0.22 114.58 123.68 1fjc h GLU 63 Ca -0.26 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 1fjc h GLU 63 Cb 1.19 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 1fjc h GLU 63 CO 0.27 0.32 0.22 0.00 -0.73 0.00 0.00 179.01 179.10 1fjc h ALA 64 N 1.63 0.87 0.18 2.92 0.00 -1.90 2.05 119.26 125.01 1fjc h ALA 64 Ca 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1fjc h ALA 64 Cb 1.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1fjc h ALA 64 CO -0.31 0.53 -0.09 -0.44 0.00 0.00 0.00 179.25 178.94 1fjc h ASP 65 N 0.96 -0.21 -0.63 0.00 5.19 -0.98 1.40 116.42 122.15 1fjc h ASP 65 Ca 0.22 -0.24 -0.05 0.00 -0.62 0.00 0.00 57.03 56.33 1fjc h ASP 65 Cb 0.27 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.81 1fjc h ASP 65 CO -0.01 0.14 0.20 0.00 -3.12 0.00 0.00 179.24 176.45 1fjc h ALA 66 N 0.14 0.83 -0.07 3.45 0.00 -0.96 0.08 119.26 122.72 1fjc h ALA 66 Ca -0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1fjc h ALA 66 Cb 0.44 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1fjc h ALA 66 CO 0.04 0.50 -0.12 1.49 0.00 0.00 0.00 179.25 181.16 1fjc h GLU 67 N 0.91 0.21 -1.00 0.00 4.81 0.34 0.68 114.58 120.52 1fjc h GLU 67 Ca 0.20 -0.13 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 1fjc h GLU 67 Cb 0.29 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.62 1fjc h GLU 67 CO -0.01 0.69 0.64 -0.22 -0.73 0.00 0.00 179.01 179.39 1fjc h LYS 68 N -0.26 1.10 0.06 1.92 1.63 0.20 0.32 116.57 121.55 1fjc h LYS 68 Ca 0.01 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1fjc h LYS 68 Cb 0.68 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1fjc h LYS 68 CO 0.03 0.73 -0.03 -0.91 -3.45 0.00 0.00 179.45 175.82 1fjc h ASN 69 N 1.14 -0.07 -0.15 4.20 -0.26 -0.89 0.13 115.58 119.67 1fjc h ASN 69 Ca 0.44 -0.57 0.04 0.00 -0.56 0.00 0.00 56.30 55.66 1fjc h ASN 69 Cb 0.23 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 1fjc h ASN 69 CO -0.19 0.63 0.30 0.25 -1.06 0.00 0.00 177.43 177.36 1fjc h LEU 70 N -0.87 0.00 0.04 1.61 6.46 0.72 2.21 115.31 125.48 1fjc h LEU 70 Ca -0.01 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 57.45 1fjc h LEU 70 Cb 0.63 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.53 1fjc h LEU 70 CO 0.01 0.00 -1.68 -0.62 -0.62 0.00 0.00 178.44 175.54 1fjc n GLU 71 N -3.34 0.63 -0.16 1.25 -0.58 0.11 -2.99 120.64 115.56 1fjc n GLU 71 Ca 0.01 0.43 0.11 0.00 -0.42 0.00 0.00 57.16 57.29 1fjc n GLU 71 Cb 0.40 -1.70 0.28 0.00 -0.57 0.00 0.00 31.44 29.85 1fjc n GLU 71 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1fjc n GLU 72 N -4.08 2.16 0.00 3.49 2.13 0.03 -4.17 120.64 120.20 1fjc n GLU 72 Ca -0.35 -1.76 0.00 0.00 0.66 0.00 0.00 57.16 55.71 1fjc n GLU 72 Cb 0.83 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 31.09 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 0.97 2.87 -1.36 5.31 4.76 0.74 -4.86 118.16 126.59 1fjc n LYS 73 Ca 0.18 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.40 1fjc n LYS 73 Cb 0.47 -0.69 -0.20 0.00 -1.84 0.00 0.00 35.03 32.77 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 -0.98 0.00 0.00 1.97 -0.06 -1.16 -0.53 117.38 116.61 1fjc n GLN 74 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1fjc n GLN 74 Cb 0.00 -0.96 0.00 0.00 -4.06 0.00 0.00 30.24 25.22 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 5.09 2.45 1.81 1.69 0.00 0.69 -4.83 105.19 112.09 1fjc n GLY 75 Ca 0.61 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.21 -2.21 4.61 0.00 0.31 -0.96 120.51 122.04 1fjc n ALA 76 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 1fjc n ALA 76 Cb 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.75 -0.61 -4.30 0.00 2.13 -1.26 -4.93 120.64 109.92 1fjc n GLU 77 Ca -0.10 0.61 -0.16 0.00 0.66 0.00 0.00 57.16 58.17 1fjc n GLU 77 Cb 0.34 -0.83 -0.10 0.00 0.27 0.00 0.00 31.44 31.13 1fjc n GLU 77 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1fjc s ILE 78 N -0.69 0.37 -1.27 6.31 1.01 0.20 -4.81 121.20 122.31 1fjc s ILE 78 Ca 0.11 -2.00 -0.16 0.00 0.00 0.00 0.00 60.65 58.60 1fjc s ILE 78 Cb -0.01 -2.57 0.15 0.00 0.01 0.00 0.00 42.46 40.05 1fjc s ILE 78 CO 0.25 0.00 0.42 -0.67 0.00 0.00 0.00 174.94 174.93 1fjc n ASP 79 N -0.60 -1.74 -2.60 3.58 -0.08 -1.26 0.27 116.55 114.12 1fjc n ASP 79 Ca 0.01 -0.66 -0.21 0.00 -1.51 0.00 0.00 54.79 52.42 1fjc n ASP 79 Cb 0.66 -1.54 0.01 0.00 2.34 0.00 0.00 41.12 42.59 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 -0.91 -0.47 3.62 0.27 0.00 -1.26 -4.93 105.19 101.51 1fjc n GLY 80 Ca 0.07 0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 -5.32 0.22 -0.02 1.61 1.70 0.75 -5.13 118.95 112.76 1fjc s ARG 81 Ca 0.14 0.05 -0.30 0.00 -0.47 0.00 0.00 55.73 55.15 1fjc s ARG 81 Cb -0.06 0.10 -0.03 0.00 -0.57 0.00 0.00 34.95 34.39 1fjc s ARG 81 CO 0.17 -0.07 1.03 -1.54 -1.08 0.00 0.00 175.30 173.81 1fjc s SER 82 N -1.06 7.29 0.15 -2.89 1.04 -1.26 -0.63 113.70 116.33 1fjc s SER 82 Ca 0.06 1.69 -0.19 0.00 0.48 0.00 0.00 55.95 57.99 1fjc s SER 82 Cb -0.01 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.47 1fjc s SER 82 CO -0.05 -0.34 0.63 0.54 0.98 0.00 0.00 173.24 175.00 1fjc s VAL 83 N 1.27 4.68 0.30 5.02 0.11 -0.13 -4.72 120.40 126.93 1fjc s VAL 83 Ca 0.52 1.19 -0.07 0.00 -2.93 0.00 0.00 61.98 60.69 1fjc s VAL 83 Cb -0.22 -3.87 -0.06 0.00 -1.53 0.00 0.00 36.38 30.71 1fjc s VAL 83 CO 0.26 0.36 0.60 -0.44 -3.33 0.00 0.00 175.10 172.55 1fjc s SER 84 N -1.44 6.48 -0.22 3.54 0.01 0.15 0.25 113.70 122.48 1fjc s SER 84 Ca 0.36 0.82 -0.02 0.00 1.31 0.00 0.00 55.95 58.42 1fjc s SER 84 Cb -0.18 -2.19 0.07 0.00 0.21 0.00 0.00 66.02 63.93 1fjc s SER 84 CO 0.20 -0.22 0.05 -0.76 0.41 0.00 0.00 173.24 172.92 1fjc s LEU 85 N -3.51 1.36 -0.48 2.44 1.43 -1.26 -0.69 118.68 117.96 1fjc s LEU 85 Ca 0.46 -0.99 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1fjc s LEU 85 Cb -0.11 -0.64 0.13 0.00 0.03 0.00 0.00 46.19 45.60 1fjc s LEU 85 CO 0.29 -0.33 0.24 -0.31 0.23 0.00 0.00 176.35 176.47 1fjc s TYR 86 N 1.82 2.85 1.09 0.29 2.02 0.37 -4.82 117.35 120.97 1fjc s TYR 86 Ca 0.01 -2.93 -0.18 0.00 -0.37 0.00 0.00 57.07 53.60 1fjc s TYR 86 Cb -0.17 -2.54 0.28 0.00 -0.40 0.00 0.00 41.96 39.12 1fjc s TYR 86 CO -0.12 -0.77 0.75 2.48 -1.57 0.00 0.00 175.55 176.32 1fjc n TYR 87 N 3.33 -3.53 -2.25 2.71 0.18 -1.25 -0.63 117.16 115.72 1fjc n TYR 87 Ca 0.06 -0.69 -0.19 0.00 1.88 0.00 0.00 57.90 58.96 1fjc n TYR 87 Cb 0.33 -0.95 0.03 0.00 -0.38 0.00 0.00 39.34 38.37 1fjc n TYR 87 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1fjc n THR 88 N -4.93 2.20 -0.54 -3.48 -2.24 -1.07 -2.94 114.28 101.28 1fjc n THR 88 Ca 0.11 -3.96 0.00 0.00 -2.27 0.00 0.00 64.05 57.93 1fjc n THR 88 Cb 0.47 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 -0.65 -0.18 0.07 3.38 0.00 -1.21 -3.70 105.19 102.90 1fjc n GLY 89 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.07 0.00 0.03 1.61 1.02 -1.26 -4.28 120.64 117.69 1fjc n GLU 90 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 1fjc n GLU 90 Cb 0.21 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.49 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 0.27 0.00 3.49 3.11 -1.94 -3.46 116.57 118.04 1fjc h LYS 91 Ca 0.00 -0.46 -0.06 0.00 -2.81 0.00 0.00 60.65 57.32 1fjc h LYS 91 Cb 0.00 0.17 0.04 0.00 -1.00 0.00 0.00 32.23 31.44 1fjc h LYS 91 CO 0.00 1.22 -0.03 0.41 -2.81 0.00 0.00 179.45 178.24 1fjc n GLY 92 N 1.71 -2.42 0.00 5.01 0.00 -1.15 -5.01 105.19 103.33 1fjc n GLY 92 Ca -0.21 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.73 0.94 3.15 -0.02 0.00 -1.26 -4.75 105.19 102.52 1fjc n GLY 93 Ca 0.02 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 1fjc n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fjc s THR 94 N 0.18 1.72 -0.04 2.61 2.01 -1.26 -4.39 115.64 116.47 1fjc s THR 94 Ca 0.00 -0.82 -0.00 0.00 0.31 0.00 0.00 61.69 61.17 1fjc s THR 94 Cb 0.00 -1.51 0.00 0.00 0.01 0.00 0.00 72.50 71.00 1fjc s THR 94 CO 0.00 0.49 0.01 0.54 -0.69 0.00 0.00 174.62 174.96 1fjc n ARG 95 N 3.62 -1.00 0.00 4.92 5.12 -1.26 -5.14 116.66 122.92 1fjc n ARG 95 Ca -0.20 1.20 0.00 0.00 -1.93 0.00 0.00 57.85 56.91 1fjc n ARG 95 Cb 0.53 -1.63 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11