#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjc n HIS 2 N 0.00 -3.03 -1.79 1.43 -0.00 -1.26 -5.17 115.22 105.39 1fjc n HIS 2 Ca 0.00 0.77 0.00 0.00 -0.00 0.00 0.00 57.72 58.49 1fjc n HIS 2 Cb 0.00 1.67 0.00 0.00 -0.00 0.00 0.00 29.99 31.66 1fjc n HIS 2 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1fjc n MET 3 N -3.34 0.00 -0.96 1.57 0.00 -1.26 -5.01 117.12 108.13 1fjc n MET 3 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.54 1fjc n MET 3 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.09 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 5.36 0.00 -0.89 7.99 -1.26 -4.89 117.00 123.31 1fjc n LEU 4 Ca 0.00 -3.14 0.00 0.00 -0.01 0.00 0.00 56.01 52.86 1fjc n LEU 4 Cb 0.00 -1.32 0.00 0.00 -0.11 0.00 0.00 43.42 41.99 1fjc n LEU 4 CO 0.00 1.54 0.00 1.21 -1.51 0.00 0.00 177.39 178.63 1fjc n GLU 5 N 2.77 0.00 -1.60 3.23 4.07 -1.26 -4.32 120.64 123.53 1fjc n GLU 5 Ca 0.45 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 57.12 1fjc n GLU 5 Cb 0.71 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.06 1fjc n GLU 5 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1fjc s ASP 6 N -4.00 5.45 1.04 4.31 1.01 -1.26 -4.95 116.67 118.27 1fjc s ASP 6 Ca 0.00 1.90 -0.08 0.00 0.71 0.00 0.00 52.55 55.08 1fjc s ASP 6 Cb 0.00 -2.51 0.11 0.00 1.01 0.00 0.00 42.92 41.53 1fjc s ASP 6 CO 0.00 -1.97 0.53 -0.81 0.21 0.00 0.00 175.17 173.13 1fjc n PRO 7 N 8.76 -1.09 -0.25 8.23 -0.04 -1.26 -4.91 135.00 144.44 1fjc n PRO 7 Ca 0.30 -0.83 0.03 0.00 -0.04 0.00 0.00 63.50 62.96 1fjc n PRO 7 Cb 0.45 -0.63 0.13 0.00 -0.04 0.00 0.00 33.50 33.41 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 1.38 0.13 0.00 0.00 2.02 -1.99 -2.19 112.91 112.26 1fjc h THR 9 Ca 0.00 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.02 1fjc h THR 9 Cb 0.81 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 1fjc h THR 9 CO 0.12 0.00 -0.27 -1.54 0.37 0.00 0.00 175.52 174.20 1fjc n SER 10 N -3.37 4.54 -0.07 4.18 3.41 -1.26 -4.35 113.62 116.70 1fjc n SER 10 Ca 0.16 -2.35 -0.07 0.00 -0.26 0.00 0.00 58.87 56.36 1fjc n SER 10 Cb 1.17 -1.23 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 1fjc n SER 10 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1fjc h LYS 11 N 3.38 0.00 -0.01 4.33 1.57 -1.79 -3.31 116.57 120.74 1fjc h LYS 11 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1fjc h LYS 11 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1fjc h LYS 11 CO 0.26 0.37 0.00 0.36 -0.57 0.00 0.00 179.45 179.88 1fjc n LYS 12 N -4.67 1.05 0.03 3.15 0.00 -1.26 -3.09 118.16 113.37 1fjc n LYS 12 Ca -0.08 -0.07 -0.06 0.00 -0.00 0.00 0.00 58.31 58.11 1fjc n LYS 12 Cb 0.25 -1.25 -0.11 0.00 -0.00 0.00 0.00 35.03 33.92 1fjc n LYS 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1fjc h VAL 13 N 0.14 1.02 -0.72 0.58 2.07 -1.84 -3.31 116.25 114.19 1fjc h VAL 13 Ca 0.00 -2.72 -0.07 0.00 0.82 0.00 0.00 66.70 64.73 1fjc h VAL 13 Cb 0.03 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 1fjc h VAL 13 CO 0.00 0.58 0.20 -0.09 0.02 0.00 0.00 177.57 178.28 1fjc h ARG 14 N 0.00 1.14 0.00 1.57 2.43 -1.63 -1.83 114.38 116.06 1fjc h ARG 14 Ca -0.16 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1fjc h ARG 14 Cb 1.81 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 1fjc h ARG 14 CO 0.09 0.99 0.00 0.00 -1.51 0.00 0.00 179.97 179.53 1fjc h ALA 15 N 1.10 1.00 -0.25 2.80 0.00 -1.75 -2.81 119.26 119.34 1fjc h ALA 15 Ca 0.23 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1fjc h ALA 15 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1fjc h ALA 15 CO -0.00 0.00 0.17 0.00 0.00 0.00 0.00 179.25 179.42 1fjc h ALA 16 N 2.02 1.95 -0.45 0.00 0.00 -1.41 0.10 119.26 121.47 1fjc h ALA 16 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1fjc h ALA 16 Cb 0.43 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1fjc h ALA 16 CO 0.00 0.01 0.18 2.89 0.00 0.00 0.00 179.25 182.33 1fjc n ARG 17 N -4.50 2.56 -3.78 0.00 1.85 -1.06 -3.55 116.66 108.18 1fjc n ARG 17 Ca 0.02 -1.79 -0.10 0.00 -1.00 0.00 0.00 57.85 54.97 1fjc n ARG 17 Cb 0.16 -1.83 -0.07 0.00 -1.05 0.00 0.00 32.46 29.67 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 -1.97 0.10 0.32 8.89 2.01 0.02 0.54 115.64 125.56 1fjc s THR 18 Ca 0.32 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 1fjc s THR 18 Cb 0.26 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 1fjc s THR 18 CO 0.08 -0.46 0.42 -1.48 -0.69 0.00 0.00 174.62 172.49 1fjc s LEU 19 N -2.39 1.03 -0.20 4.42 2.34 0.54 -3.39 118.68 121.03 1fjc s LEU 19 Ca -0.01 -1.45 0.00 0.00 0.06 0.00 0.00 54.13 52.73 1fjc s LEU 19 Cb 0.01 1.31 0.02 0.00 -0.56 0.00 0.00 46.19 46.97 1fjc s LEU 19 CO -0.07 -1.22 -0.16 -0.22 -1.06 0.00 0.00 176.35 173.63 1fjc s LEU 20 N -3.22 2.45 0.24 1.48 2.96 0.77 0.13 118.68 123.49 1fjc s LEU 20 Ca 0.31 -0.68 -0.30 0.00 -0.22 0.00 0.00 54.13 53.24 1fjc s LEU 20 Cb 0.01 -1.54 -0.09 0.00 0.50 0.00 0.00 46.19 45.06 1fjc s LEU 20 CO 0.19 -0.03 1.15 0.00 -1.32 0.00 0.00 176.35 176.34 1fjc s ALA 21 N 1.31 3.42 0.26 5.97 0.00 0.70 0.22 121.76 133.65 1fjc s ALA 21 Ca 0.04 0.94 0.01 0.00 0.00 0.00 0.00 51.96 52.95 1fjc s ALA 21 Cb -0.14 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 1fjc s ALA 21 CO -0.10 -0.27 0.09 0.15 0.00 0.00 0.00 175.76 175.63 1fjc s LYS 22 N -0.99 1.41 -0.78 0.00 1.02 0.41 0.12 119.74 120.93 1fjc s LYS 22 Ca 0.48 -1.76 0.00 0.00 0.02 0.00 0.00 55.97 54.70 1fjc s LYS 22 Cb -0.33 -0.28 0.00 0.00 -0.52 0.00 0.00 37.83 36.70 1fjc s LYS 22 CO 0.40 -0.29 0.00 -1.71 -0.92 0.00 0.00 175.35 172.83 1fjc n ASN 23 N -0.47 -5.57 -3.65 2.83 5.15 -0.02 0.25 115.26 113.79 1fjc n ASN 23 Ca -0.00 0.18 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 1fjc n ASN 23 Cb 0.66 -3.72 0.00 0.00 -0.53 0.00 0.00 39.78 36.19 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 -0.84 0.00 -4.25 1.20 7.99 0.46 -4.30 117.00 117.26 1fjc n LEU 24 Ca -0.07 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.79 1fjc n LEU 24 Cb 0.52 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.73 1fjc n LEU 24 CO 0.11 -0.57 -0.38 -0.55 -1.51 0.00 0.00 177.39 174.49 1fjc s SER 25 N -2.12 1.60 0.32 -1.43 0.15 -1.26 -4.67 113.70 106.28 1fjc s SER 25 Ca 0.00 -1.07 0.26 0.00 0.70 0.00 0.00 55.95 55.84 1fjc s SER 25 Cb 0.00 0.03 1.03 0.00 -1.71 0.00 0.00 66.02 65.37 1fjc s SER 25 CO 0.00 -0.42 1.77 -0.26 1.20 0.00 0.00 173.24 175.54 1fjc h PHE 26 N 2.75 0.00 0.01 3.44 -1.00 -1.96 -3.24 116.94 116.94 1fjc h PHE 26 Ca -0.37 0.00 -0.40 0.00 2.81 0.00 0.00 57.97 60.01 1fjc h PHE 26 Cb 1.19 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.69 1fjc h PHE 26 CO 0.61 0.00 -2.26 -1.71 -1.61 0.00 0.00 178.31 173.34 1fjc n ASN 27 N -2.45 1.96 -4.14 2.17 4.05 -1.26 -4.97 115.26 110.63 1fjc n ASN 27 Ca 0.02 0.23 -0.35 0.00 0.45 0.00 0.00 54.58 54.93 1fjc n ASN 27 Cb 0.27 -0.75 0.11 0.00 1.23 0.00 0.00 39.78 40.64 1fjc n ASN 27 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 177.26 173.83 1fjc n ILE 28 N -3.97 0.00 -3.43 -1.44 5.41 -1.23 -5.01 119.36 109.69 1fjc n ILE 28 Ca -0.47 -0.16 -0.03 0.00 1.00 0.00 0.00 62.75 63.09 1fjc n ILE 28 Cb 0.89 -0.33 0.01 0.00 -0.71 0.00 0.00 39.64 39.50 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 -4.03 0.00 -0.14 1.39 -2.24 -1.26 -4.86 114.28 103.14 1fjc n THR 29 Ca -0.01 -0.40 0.24 0.00 -2.27 0.00 0.00 64.05 61.61 1fjc n THR 29 Cb 0.68 0.42 0.66 0.00 -2.10 0.00 0.00 70.33 69.99 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 0.10 0.45 -0.78 4.81 -1.93 -0.20 114.58 117.03 1fjc h GLU 30 Ca -0.14 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1fjc h GLU 30 Cb 0.55 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1fjc h GLU 30 CO 0.19 0.06 -0.22 0.22 -0.73 0.00 0.00 179.01 178.53 1fjc h ASP 31 N 0.10 -0.51 -0.74 1.04 3.58 -1.96 2.16 116.42 120.09 1fjc h ASP 31 Ca 0.38 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.81 1fjc h ASP 31 Cb 1.35 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 42.50 1fjc h ASP 31 CO -0.04 -0.34 0.38 -0.33 -2.88 0.00 0.00 179.24 176.02 1fjc h GLU 32 N -0.64 1.06 -0.23 0.28 3.07 -1.51 0.63 114.58 117.23 1fjc h GLU 32 Ca -0.06 -0.13 -0.15 0.00 -0.50 0.00 0.00 59.36 58.52 1fjc h GLU 32 Cb 0.48 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1fjc h GLU 32 CO 0.10 0.80 -0.46 -0.07 -1.40 0.00 0.00 179.01 177.99 1fjc h LEU 33 N 1.06 0.65 -0.95 1.33 3.38 -0.71 0.70 115.31 120.76 1fjc h LEU 33 Ca 0.26 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1fjc h LEU 33 Cb 0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1fjc h LEU 33 CO -0.04 1.01 -0.09 0.50 0.09 0.00 0.00 178.44 179.91 1fjc h LYS 34 N 0.48 0.00 0.13 1.13 3.64 0.46 0.43 116.57 122.85 1fjc h LYS 34 Ca 0.03 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.11 1fjc h LYS 34 Cb 0.98 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1fjc h LYS 34 CO 0.09 0.09 -1.45 1.49 -2.27 0.00 0.00 179.45 177.40 1fjc h GLU 35 N 0.00 0.28 0.15 1.90 4.22 0.92 -3.01 114.58 119.04 1fjc h GLU 35 Ca -0.00 -0.48 -0.32 0.00 0.08 0.00 0.00 59.36 58.64 1fjc h GLU 35 Cb 0.74 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1fjc h GLU 35 CO 0.01 1.17 -1.59 0.28 -2.18 0.00 0.00 179.01 176.70 1fjc h VAL 36 N 0.08 1.10 -1.76 0.32 2.07 -0.70 -3.34 116.25 114.02 1fjc h VAL 36 Ca -0.22 -2.70 -0.74 0.00 0.82 0.00 0.00 66.70 63.87 1fjc h VAL 36 Cb 2.02 2.78 -0.29 0.00 -1.52 0.00 0.00 31.29 34.28 1fjc h VAL 36 CO 0.18 0.83 0.88 0.49 0.02 0.00 0.00 177.57 179.97 1fjc n PHE 37 N -3.51 3.06 0.38 1.57 3.72 0.15 -4.68 117.46 118.14 1fjc n PHE 37 Ca -0.19 -2.51 0.04 0.00 -0.05 0.00 0.00 57.45 54.74 1fjc n PHE 37 Cb 1.06 -1.15 0.21 0.00 -0.94 0.00 0.00 39.48 38.66 1fjc n PHE 37 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1fjc n GLU 38 N -0.61 0.08 -0.60 -1.08 0.28 -1.14 -1.72 120.64 115.85 1fjc n GLU 38 Ca 0.54 0.26 0.09 0.00 -0.16 0.00 0.00 57.16 57.90 1fjc n GLU 38 Cb 0.35 -1.50 0.35 0.00 1.43 0.00 0.00 31.44 32.07 1fjc n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1fjc n ASP 39 N -1.37 4.62 -4.83 -1.84 -0.08 -1.26 -4.95 116.55 106.84 1fjc n ASP 39 Ca 0.03 -2.42 -0.26 0.00 -1.51 0.00 0.00 54.79 50.63 1fjc n ASP 39 Cb 0.08 -0.57 -0.04 0.00 2.34 0.00 0.00 41.12 42.93 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 -1.82 4.13 -0.13 -1.67 0.00 -0.70 -4.32 121.76 117.25 1fjc s ALA 40 Ca 0.50 -1.39 -0.27 0.00 0.00 0.00 0.00 51.96 50.80 1fjc s ALA 40 Cb 0.32 -0.54 -0.26 0.00 0.00 0.00 0.00 23.12 22.64 1fjc s ALA 40 CO 0.24 -0.29 0.73 -0.07 0.00 0.00 0.00 175.76 176.38 1fjc h LEU 41 N 1.05 0.07 -8.02 0.00 3.38 0.03 -3.45 115.31 108.38 1fjc h LEU 41 Ca -0.40 -0.94 0.02 0.00 0.09 0.00 0.00 57.88 56.65 1fjc h LEU 41 Cb 1.29 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.95 1fjc h LEU 41 CO 0.63 1.12 0.11 -1.61 0.09 0.00 0.00 178.44 178.78 1fjc s GLU 42 N -2.27 1.67 0.04 1.13 2.02 -0.89 -5.03 118.70 115.37 1fjc s GLU 42 Ca -0.19 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 53.77 1fjc s GLU 42 Cb -0.01 0.56 -0.02 0.00 0.10 0.00 0.00 34.13 34.75 1fjc s GLU 42 CO 0.70 -0.74 -0.07 0.42 0.02 0.00 0.00 175.26 175.59 1fjc s ILE 43 N -3.94 0.49 0.31 -1.63 1.01 -1.26 -1.14 121.20 115.03 1fjc s ILE 43 Ca 0.14 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1fjc s ILE 43 Cb -0.04 -0.56 -0.06 0.00 0.01 0.00 0.00 42.46 41.81 1fjc s ILE 43 CO 0.06 -0.39 0.05 -0.13 0.00 0.00 0.00 174.94 174.53 1fjc s ARG 44 N -1.55 1.60 0.35 2.79 0.52 0.74 -4.90 118.95 118.49 1fjc s ARG 44 Ca -0.11 -1.87 0.09 0.00 -0.52 0.00 0.00 55.73 53.32 1fjc s ARG 44 Cb -0.10 -0.82 -0.05 0.00 0.52 0.00 0.00 34.95 34.50 1fjc s ARG 44 CO 0.00 -0.17 0.04 -1.17 0.02 0.00 0.00 175.30 174.02 1fjc s LEU 45 N -3.45 3.01 -0.23 2.53 2.96 -1.26 -0.01 118.68 122.23 1fjc s LEU 45 Ca 0.35 -0.99 -0.16 0.00 -0.22 0.00 0.00 54.13 53.11 1fjc s LEU 45 Cb 0.08 -1.38 0.07 0.00 0.50 0.00 0.00 46.19 45.46 1fjc s LEU 45 CO 0.14 -0.28 0.58 -0.69 -1.32 0.00 0.00 176.35 174.79 1fjc s VAL 46 N -2.52 -0.01 0.00 1.68 1.01 0.76 -4.50 120.40 116.81 1fjc s VAL 46 Ca 0.36 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1fjc s VAL 46 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1fjc s VAL 46 CO 0.20 0.01 0.00 -1.54 0.00 0.00 0.00 175.10 173.77 1fjc n SER 47 N 3.68 0.18 -0.15 3.32 3.41 -1.26 -0.13 113.62 122.66 1fjc n SER 47 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 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 0.00 3.36 0.24 4.33 7.27 -0.45 -4.68 117.38 127.45 1fjc n GLN 48 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 57.00 57.25 1fjc n GLN 48 Cb 0.00 0.00 0.81 0.00 2.41 0.00 0.00 30.24 33.46 1fjc n GLN 48 CO 0.00 0.00 0.00 0.38 0.07 0.00 0.00 177.06 177.51 1fjc h ASP 49 N 0.00 0.00 0.00 1.69 2.03 -2.02 -3.35 116.42 114.77 1fjc h ASP 49 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1fjc h ASP 49 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1fjc h ASP 49 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1fjc n GLY 50 N -1.33 -0.91 3.24 7.15 0.00 -1.26 -5.14 105.19 106.94 1fjc n GLY 50 Ca 0.02 0.44 0.03 0.00 0.00 0.00 0.00 46.02 46.50 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 0.11 0.03 1.61 2.20 -1.26 -5.12 119.74 117.31 1fjc s LYS 51 Ca 0.00 0.27 -0.32 0.00 -0.36 0.00 0.00 55.97 55.55 1fjc s LYS 51 Cb 0.00 0.16 -0.17 0.00 -1.51 0.00 0.00 37.83 36.31 1fjc s LYS 51 CO 0.00 -0.04 0.83 0.45 -0.36 0.00 0.00 175.35 176.23 1fjc n SER 52 N 4.72 -0.21 0.00 1.43 2.88 -1.26 -1.34 113.62 119.84 1fjc n SER 52 Ca -0.07 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 1fjc n SER 52 Cb 0.55 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 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 5.41 -0.01 -1.46 4.81 -1.26 -4.69 118.16 122.17 1fjc n LYS 53 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1fjc n LYS 53 Cb 0.10 -0.54 0.00 0.00 0.02 0.00 0.00 35.03 34.61 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 1.14 1.73 3.73 3.14 0.00 -1.24 -4.63 105.19 109.07 1fjc n GLY 54 Ca 0.00 -0.01 -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 3.50 0.01 -0.61 1.01 0.81 -0.41 121.20 123.51 1fjc s ILE 55 Ca 0.00 -1.67 -0.28 0.00 0.00 0.00 0.00 60.65 58.69 1fjc s ILE 55 Cb 0.00 -3.04 0.10 0.00 0.01 0.00 0.00 42.46 39.53 1fjc s ILE 55 CO 0.00 -0.28 0.89 0.00 0.00 0.00 0.00 174.94 175.56 1fjc s ALA 56 N -2.32 -1.81 -0.24 9.38 0.00 0.33 0.27 121.76 127.37 1fjc s ALA 56 Ca 0.35 0.95 -0.04 0.00 0.00 0.00 0.00 51.96 53.22 1fjc s ALA 56 Cb -0.05 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.51 1fjc s ALA 56 CO 0.23 -0.72 -0.03 0.71 0.00 0.00 0.00 175.76 175.95 1fjc s TYR 57 N -3.13 3.01 -0.19 0.00 2.02 0.99 0.25 117.35 120.31 1fjc s TYR 57 Ca 0.06 -1.14 -0.04 0.00 -0.37 0.00 0.00 57.07 55.57 1fjc s TYR 57 Cb -0.01 -2.11 -0.02 0.00 -0.40 0.00 0.00 41.96 39.42 1fjc s TYR 57 CO -0.08 -0.61 -0.02 0.42 -1.57 0.00 0.00 175.55 173.69 1fjc s ILE 58 N 1.43 3.85 -0.23 2.71 -1.09 0.36 0.26 121.20 128.49 1fjc s ILE 58 Ca 0.04 -0.36 0.01 0.00 -2.23 0.00 0.00 60.65 58.11 1fjc s ILE 58 Cb -0.15 -2.72 0.04 0.00 -1.58 0.00 0.00 42.46 38.04 1fjc s ILE 58 CO -0.03 0.45 -0.13 -1.83 -1.23 0.00 0.00 174.94 172.17 1fjc s GLU 59 N 0.84 2.66 0.61 2.79 -1.05 -0.29 0.20 118.70 124.47 1fjc s GLU 59 Ca -0.00 -1.07 0.05 0.00 -0.15 0.00 0.00 54.97 53.80 1fjc s GLU 59 Cb -0.14 -2.79 0.09 0.00 -0.44 0.00 0.00 34.13 30.84 1fjc s GLU 59 CO 0.02 -0.40 0.85 -0.06 0.95 0.00 0.00 175.26 176.62 1fjc s PHE 60 N 1.22 1.74 0.45 4.83 0.40 0.19 0.69 117.98 127.50 1fjc s PHE 60 Ca -0.02 -0.46 0.40 0.00 -0.60 0.00 0.00 56.93 56.26 1fjc s PHE 60 Cb -0.17 -2.57 2.07 0.00 0.51 0.00 0.00 43.02 42.86 1fjc s PHE 60 CO -0.08 -1.27 2.23 -0.22 0.70 0.00 0.00 175.22 176.58 1fjc h LYS 61 N -0.06 0.00 -2.16 0.44 3.64 -1.80 -3.41 116.57 113.23 1fjc h LYS 61 Ca -0.34 0.00 0.29 0.00 -1.27 0.00 0.00 60.65 59.33 1fjc h LYS 61 Cb 1.28 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.03 1fjc h LYS 61 CO 0.42 0.00 0.81 -1.54 -2.27 0.00 0.00 179.45 176.87 1fjc s SER 62 N -5.21 -0.00 0.37 4.20 1.04 -1.26 -4.98 113.70 107.85 1fjc s SER 62 Ca -0.03 -0.32 0.08 0.00 0.48 0.00 0.00 55.95 56.16 1fjc s SER 62 Cb 0.12 0.24 0.73 0.00 0.10 0.00 0.00 66.02 67.21 1fjc s SER 62 CO 0.43 -0.48 1.91 -0.08 0.98 0.00 0.00 173.24 176.00 1fjc h GLU 63 N 2.00 0.35 -0.35 4.02 4.81 -1.84 -0.66 114.58 122.90 1fjc h GLU 63 Ca -0.24 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 58.86 1fjc h GLU 63 Cb 1.20 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1fjc h GLU 63 CO 0.32 0.43 0.02 0.00 -0.73 0.00 0.00 179.01 179.05 1fjc h ALA 64 N 1.60 0.48 0.01 2.92 0.00 -1.95 1.08 119.26 123.40 1fjc h ALA 64 Ca 0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1fjc h ALA 64 Cb 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1fjc h ALA 64 CO 0.02 0.22 -0.01 -0.44 0.00 0.00 0.00 179.25 179.04 1fjc h ASP 65 N 0.43 -0.01 -0.22 0.00 5.19 -1.83 0.49 116.42 120.47 1fjc h ASP 65 Ca 0.10 -0.37 -0.06 0.00 -0.62 0.00 0.00 57.03 56.09 1fjc h ASP 65 Cb 0.43 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.92 1fjc h ASP 65 CO 0.01 0.36 -0.03 0.00 -3.12 0.00 0.00 179.24 176.46 1fjc h ALA 66 N 0.59 1.32 -0.00 3.45 0.00 -1.08 -0.30 119.26 123.25 1fjc h ALA 66 Ca -0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1fjc h ALA 66 Cb 0.38 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1fjc h ALA 66 CO 0.00 0.46 -0.36 1.49 0.00 0.00 0.00 179.25 180.85 1fjc h GLU 67 N 0.51 0.24 -0.78 0.00 4.81 0.14 0.38 114.58 119.88 1fjc h GLU 67 Ca 0.11 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1fjc h GLU 67 Cb 0.38 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 1fjc h GLU 67 CO 0.02 0.98 0.44 -0.22 -0.73 0.00 0.00 179.01 179.49 1fjc h LYS 68 N -0.39 1.09 0.05 1.92 1.63 0.09 -0.50 116.57 120.47 1fjc h LYS 68 Ca -0.04 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.63 1fjc h LYS 68 Cb 1.10 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 1fjc h LYS 68 CO 0.07 0.80 -0.02 -0.91 -3.45 0.00 0.00 179.45 175.93 1fjc h ASN 69 N 1.09 -0.06 -0.71 4.20 -0.26 -1.11 0.63 115.58 119.36 1fjc h ASN 69 Ca 0.28 -0.55 0.15 0.00 -0.56 0.00 0.00 56.30 55.62 1fjc h ASN 69 Cb 0.02 0.02 -0.10 0.00 -1.06 0.00 0.00 38.32 37.19 1fjc h ASN 69 CO -0.05 0.55 0.16 0.25 -1.06 0.00 0.00 177.43 177.29 1fjc h LEU 70 N -0.71 -0.00 0.00 1.61 6.46 -0.80 0.66 115.31 122.52 1fjc h LEU 70 Ca -0.01 0.14 -0.21 0.00 -0.12 0.00 0.00 57.88 57.69 1fjc h LEU 70 Cb 0.60 0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.70 1fjc h LEU 70 CO 0.01 -0.03 -1.01 -0.33 -0.62 0.00 0.00 178.44 176.47 1fjc h GLU 71 N 0.26 0.00 -0.54 1.25 5.08 -1.11 -1.39 114.58 118.13 1fjc h GLU 71 Ca 0.39 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 1fjc h GLU 71 Cb 0.65 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1fjc h GLU 71 CO -0.49 0.92 0.17 1.49 -1.00 0.00 0.00 179.01 180.10 1fjc h GLU 72 N 0.00 0.80 0.00 2.33 4.57 0.24 -3.39 114.58 119.13 1fjc h GLU 72 Ca -0.03 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1fjc h GLU 72 Cb 1.75 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.21 1fjc h GLU 72 CO 0.12 0.69 -0.27 1.17 -1.18 0.00 0.00 179.01 179.54 1fjc n LYS 73 N -4.31 0.14 -2.98 1.92 3.00 -0.10 -5.03 118.16 110.80 1fjc n LYS 73 Ca 0.04 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1fjc n LYS 73 Cb 0.19 -0.64 0.00 0.00 0.00 0.00 0.00 35.03 34.58 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 -3.35 -0.67 0.00 1.64 0.00 -0.52 -3.58 117.38 110.90 1fjc n GLN 74 Ca -0.04 0.92 0.00 0.00 -0.00 0.00 0.00 57.00 57.88 1fjc n GLN 74 Cb 0.14 -0.85 0.00 0.00 0.00 0.00 0.00 30.24 29.53 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 1.77 3.03 2.22 1.69 0.00 0.68 -4.95 105.19 109.63 1fjc n GLY 75 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.33 -1.73 4.61 0.00 -1.23 0.29 120.51 121.12 1fjc n ALA 76 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1fjc n ALA 76 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 1fjc n ALA 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1fjc s GLU 77 N -0.33 2.23 0.20 0.00 2.12 -1.26 -3.69 118.70 117.97 1fjc s GLU 77 Ca 0.00 0.99 -0.01 0.00 0.36 0.00 0.00 54.97 56.31 1fjc s GLU 77 Cb 0.00 -4.57 -0.04 0.00 0.26 0.00 0.00 34.13 29.78 1fjc s GLU 77 CO 0.00 -3.24 0.14 0.42 -0.54 0.00 0.00 175.26 172.04 1fjc s ILE 78 N 11.44 0.00 -0.35 -3.70 1.01 -0.08 -4.80 121.20 124.72 1fjc s ILE 78 Ca 0.87 -1.98 0.00 0.00 0.00 0.00 0.00 60.65 59.53 1fjc s ILE 78 Cb -0.15 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.83 1fjc s ILE 78 CO 0.21 0.00 0.00 -0.67 0.00 0.00 0.00 174.94 174.48 1fjc n ASP 79 N -0.30 -1.68 -1.11 3.58 2.03 -1.26 0.29 116.55 118.10 1fjc n ASP 79 Ca 0.02 0.32 -0.14 0.00 0.52 0.00 0.00 54.79 55.51 1fjc n ASP 79 Cb 0.66 -1.62 -0.06 0.00 -0.72 0.00 0.00 41.12 39.37 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 -0.46 1.45 3.13 0.27 0.00 -1.26 -4.95 105.19 103.37 1fjc n GLY 80 Ca -0.04 -0.17 -0.08 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 -3.17 0.77 -0.20 1.61 0.52 0.83 -5.14 118.95 114.17 1fjc s ARG 81 Ca 0.00 -1.29 -0.08 0.00 -0.52 0.00 0.00 55.73 53.84 1fjc s ARG 81 Cb 0.00 0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.67 1fjc s ARG 81 CO 0.00 -0.19 0.08 -1.12 0.02 0.00 0.00 175.30 174.09 1fjc s SER 82 N -2.97 5.67 -0.14 0.23 0.01 -1.26 -0.90 113.70 114.34 1fjc s SER 82 Ca 0.14 0.06 -0.16 0.00 1.31 0.00 0.00 55.95 57.30 1fjc s SER 82 Cb 0.07 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 1fjc s SER 82 CO -0.05 0.14 0.38 -0.69 0.41 0.00 0.00 173.24 173.43 1fjc s VAL 83 N 0.60 5.25 0.30 3.43 1.01 0.83 -4.48 120.40 127.35 1fjc s VAL 83 Ca 0.04 0.74 0.03 0.00 0.00 0.00 0.00 61.98 62.78 1fjc s VAL 83 Cb -0.13 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1fjc s VAL 83 CO 0.01 0.36 0.47 -0.55 0.00 0.00 0.00 175.10 175.39 1fjc s SER 84 N 0.56 6.29 -0.09 3.32 0.15 0.71 0.25 113.70 124.89 1fjc s SER 84 Ca 0.21 0.27 0.04 0.00 0.70 0.00 0.00 55.95 57.18 1fjc s SER 84 Cb -0.14 -1.93 -0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1fjc s SER 84 CO 0.07 -0.21 -0.23 -0.76 1.20 0.00 0.00 173.24 173.30 1fjc s LEU 85 N -4.18 2.06 -0.37 3.45 1.43 -1.26 0.15 118.68 119.96 1fjc s LEU 85 Ca 0.38 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1fjc s LEU 85 Cb -0.09 -1.36 0.11 0.00 0.03 0.00 0.00 46.19 44.87 1fjc s LEU 85 CO 0.33 0.17 0.10 -0.31 0.23 0.00 0.00 176.35 176.87 1fjc s TYR 86 N 0.26 3.37 0.40 0.29 1.51 0.61 -4.89 117.35 118.90 1fjc s TYR 86 Ca -0.16 -2.88 -0.05 0.00 -1.01 0.00 0.00 57.07 52.97 1fjc s TYR 86 Cb -0.17 -2.74 0.08 0.00 -0.11 0.00 0.00 41.96 39.02 1fjc s TYR 86 CO 0.08 -0.90 0.19 0.98 -1.11 0.00 0.00 175.55 174.78 1fjc n TYR 87 N 4.09 -1.73 -2.20 2.71 9.36 -1.26 0.27 117.16 128.39 1fjc n TYR 87 Ca 0.04 -0.07 -0.02 0.00 3.32 0.00 0.00 57.90 61.17 1fjc n TYR 87 Cb 0.40 -0.49 0.02 0.00 -0.63 0.00 0.00 39.34 38.64 1fjc n TYR 87 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1fjc n THR 88 N -3.34 0.00 -0.33 2.97 -2.24 -1.22 -4.25 114.28 105.87 1fjc n THR 88 Ca 0.03 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1fjc n THR 88 Cb 0.13 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 -0.41 -0.66 0.00 3.38 0.00 -1.24 -4.34 105.19 101.91 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 -1.84 0.00 0.00 0.00 173.32 171.48 1fjc n GLU 90 N -0.00 0.00 0.00 1.61 0.28 -1.26 -4.59 120.64 116.68 1fjc n GLU 90 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1fjc n GLU 90 Cb 0.08 -0.09 0.00 0.00 1.43 0.00 0.00 31.44 32.86 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 -1.29 0.00 -0.25 3.44 4.81 -1.26 -5.06 118.16 118.55 1fjc n LYS 91 Ca 0.00 0.05 0.03 0.00 -0.87 0.00 0.00 58.31 57.53 1fjc n LYS 91 Cb 0.00 -0.33 -0.01 0.00 0.02 0.00 0.00 35.03 34.71 1fjc n LYS 91 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fjc n GLY 92 N 2.14 -0.51 0.00 3.14 0.00 -1.26 -4.97 105.19 103.72 1fjc n GLY 92 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.89 1.55 3.44 -0.02 0.00 -1.26 -5.07 105.19 102.94 1fjc n GLY 93 Ca 0.00 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 1.66 -1.44 2.61 -1.04 -1.26 -4.71 114.28 110.10 1fjc n THR 94 Ca 0.00 -0.50 -0.52 0.00 -2.04 0.00 0.00 64.05 60.99 1fjc n THR 94 Cb 0.00 -0.48 -0.05 0.00 -1.82 0.00 0.00 70.33 67.98 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 0.68 0.01 -0.69 -2.82 0.63 -1.26 -5.25 116.66 107.95 1fjc n ARG 95 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 1fjc n ARG 95 Cb 0.39 -1.19 0.00 0.00 0.45 0.00 0.00 32.46 32.11 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53