#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 2.61 -2.43 0.66 -0.00 -1.26 -4.43 115.22 110.37 1fjc n HIS 2 Ca 0.00 -1.98 -0.00 0.00 -0.00 0.00 0.00 57.72 55.74 1fjc n HIS 2 Cb 0.00 -2.16 0.06 0.00 -0.00 0.00 0.00 29.99 27.89 1fjc n HIS 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1fjc n MET 3 N 7.36 1.19 -2.66 -0.41 -0.00 -1.26 -4.84 117.12 116.50 1fjc n MET 3 Ca 0.49 -2.92 -0.08 0.00 -0.00 0.00 0.00 57.70 55.19 1fjc n MET 3 Cb 0.42 -1.01 0.04 0.00 -0.00 0.00 0.00 33.22 32.67 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 -0.22 2.20 -3.64 3.17 4.77 -1.26 -5.06 117.00 116.95 1fjc n LEU 4 Ca 0.12 -3.60 -0.03 0.00 -0.03 0.00 0.00 56.01 52.47 1fjc n LEU 4 Cb 0.95 0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 42.26 1fjc n LEU 4 CO 0.04 1.41 0.78 -0.70 -1.33 0.00 0.00 177.39 177.59 1fjc s GLU 5 N -3.57 0.34 0.00 3.23 2.12 -1.26 -5.12 118.70 114.44 1fjc s GLU 5 Ca 0.32 0.52 0.00 0.00 0.36 0.00 0.00 54.97 56.16 1fjc s GLU 5 Cb 0.38 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.87 1fjc s GLU 5 CO -0.02 -0.06 0.00 -3.47 -0.54 0.00 0.00 175.26 171.17 1fjc n ASP 6 N 3.08 0.00 -0.91 -1.70 -0.08 -1.26 -5.01 116.55 110.67 1fjc n ASP 6 Ca -0.16 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.11 1fjc n ASP 6 Cb 0.57 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.07 1fjc n ASP 6 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1fjc n PRO 7 N 0.00 1.36 -0.09 -0.67 -0.04 -1.26 -3.99 135.00 130.31 1fjc n PRO 7 Ca 0.00 -0.41 -0.23 0.00 -0.04 0.00 0.00 63.50 62.82 1fjc n PRO 7 Cb 0.00 -1.40 -0.12 0.00 -0.04 0.00 0.00 33.50 31.95 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 -4.19 0.00 -3.76 0.00 -1.04 -1.26 -4.12 114.28 99.92 1fjc n THR 9 Ca -0.36 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.41 1fjc n THR 9 Cb 0.79 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 1fjc n THR 9 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1fjc n SER 10 N -0.02 -5.01 0.00 8.00 7.64 -1.26 -4.93 113.62 118.04 1fjc n SER 10 Ca 0.00 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1fjc n SER 10 Cb 0.01 -1.92 0.00 0.00 -1.01 0.00 0.00 64.21 61.30 1fjc n SER 10 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1fjc n LYS 11 N -2.69 0.00 0.00 1.43 4.81 -1.26 -3.94 118.16 116.51 1fjc n LYS 11 Ca -0.29 0.21 0.12 0.00 -0.87 0.00 0.00 58.31 57.48 1fjc n LYS 11 Cb 0.68 -0.66 0.70 0.00 0.02 0.00 0.00 35.03 35.77 1fjc n LYS 11 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1fjc n LYS 12 N -1.93 0.75 0.10 1.64 0.00 -1.26 -2.49 118.16 114.97 1fjc n LYS 12 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.34 1fjc n LYS 12 Cb 0.00 -1.49 -0.01 0.00 -0.00 0.00 0.00 35.03 33.53 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 0.00 0.55 -0.61 0.58 2.07 -1.95 -3.29 116.25 113.60 1fjc h VAL 13 Ca 0.00 -1.89 -0.09 0.00 0.82 0.00 0.00 66.70 65.54 1fjc h VAL 13 Cb 0.00 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1fjc h VAL 13 CO 0.00 0.31 0.01 0.03 0.02 0.00 0.00 177.57 177.95 1fjc h ARG 14 N 0.00 1.06 0.00 1.57 -0.00 -1.61 -2.25 114.38 113.15 1fjc h ARG 14 Ca -0.06 -0.33 -0.02 0.00 -0.50 0.00 0.00 59.98 59.07 1fjc h ARG 14 Cb 1.39 -0.10 -0.00 0.00 0.00 0.00 0.00 29.97 31.25 1fjc h ARG 14 CO 0.05 1.03 -0.09 0.00 0.00 0.00 0.00 179.97 180.95 1fjc h ALA 15 N 1.03 1.00 -0.60 0.04 0.00 -1.74 -3.16 119.26 115.83 1fjc h ALA 15 Ca 0.18 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.12 1fjc h ALA 15 Cb 0.54 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1fjc h ALA 15 CO 0.03 0.12 0.11 0.00 0.00 0.00 0.00 179.25 179.50 1fjc h ALA 16 N 1.91 0.70 0.00 0.00 0.00 -1.46 1.00 119.26 121.40 1fjc h ALA 16 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1fjc h ALA 16 Cb 0.67 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1fjc h ALA 16 CO 0.01 -0.32 0.00 2.89 0.00 0.00 0.00 179.25 181.83 1fjc n ARG 17 N -5.15 0.54 -4.51 0.00 -4.01 -1.19 -4.23 116.66 98.11 1fjc n ARG 17 Ca 0.09 0.02 -0.26 0.00 -1.04 0.00 0.00 57.85 56.66 1fjc n ARG 17 Cb 0.33 -1.50 -0.10 0.00 -3.04 0.00 0.00 32.46 28.15 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 -2.11 2.28 0.25 8.89 2.01 0.34 -0.93 115.64 126.36 1fjc s THR 18 Ca 0.27 -2.13 -0.07 0.00 0.31 0.00 0.00 61.69 60.07 1fjc s THR 18 Cb 0.13 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.90 1fjc s THR 18 CO 0.24 -0.17 0.37 -1.48 -0.69 0.00 0.00 174.62 172.88 1fjc s LEU 19 N -3.65 0.69 -0.15 4.42 2.34 0.42 0.55 118.68 123.31 1fjc s LEU 19 Ca 0.33 -1.16 0.01 0.00 0.06 0.00 0.00 54.13 53.37 1fjc s LEU 19 Cb 0.03 1.28 0.02 0.00 -0.56 0.00 0.00 46.19 46.96 1fjc s LEU 19 CO 0.17 -1.07 -0.18 -0.22 -1.06 0.00 0.00 176.35 173.99 1fjc s LEU 20 N -3.10 1.94 0.33 1.48 2.96 0.75 0.16 118.68 123.20 1fjc s LEU 20 Ca 0.29 -0.56 -0.23 0.00 -0.22 0.00 0.00 54.13 53.42 1fjc s LEU 20 Cb 0.02 -1.32 -0.10 0.00 0.50 0.00 0.00 46.19 45.29 1fjc s LEU 20 CO 0.12 0.01 0.89 0.00 -1.32 0.00 0.00 176.35 176.05 1fjc s ALA 21 N 1.14 3.21 0.28 5.97 0.00 0.73 0.23 121.76 133.33 1fjc s ALA 21 Ca -0.01 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.36 1fjc s ALA 21 Cb -0.14 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1fjc s ALA 21 CO -0.07 0.20 0.27 0.15 0.00 0.00 0.00 175.76 176.31 1fjc s LYS 22 N -2.38 1.55 -0.72 0.00 1.02 0.71 -0.22 119.74 119.70 1fjc s LYS 22 Ca 0.52 -1.77 0.00 0.00 0.02 0.00 0.00 55.97 54.74 1fjc s LYS 22 Cb -0.15 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 1fjc s LYS 22 CO 0.20 -0.57 0.00 -1.71 -0.92 0.00 0.00 175.35 172.35 1fjc n ASN 23 N -0.95 -5.74 -3.98 2.83 5.15 -0.73 0.25 115.26 112.09 1fjc n ASN 23 Ca 0.04 0.17 0.00 0.00 -0.60 0.00 0.00 54.58 54.19 1fjc n ASN 23 Cb 0.64 -3.84 0.00 0.00 -0.53 0.00 0.00 39.78 36.05 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 -0.77 0.00 -4.38 1.20 4.77 0.11 -4.59 117.00 113.33 1fjc n LEU 24 Ca -0.07 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.72 1fjc n LEU 24 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1fjc n LEU 24 CO 0.10 -0.43 -0.26 -0.44 -1.33 0.00 0.00 177.39 175.03 1fjc s SER 25 N -1.98 1.78 0.13 -1.43 0.01 -1.26 -4.67 113.70 106.27 1fjc s SER 25 Ca 0.00 -1.39 0.26 0.00 1.31 0.00 0.00 55.95 56.13 1fjc s SER 25 Cb 0.00 0.05 0.96 0.00 0.21 0.00 0.00 66.02 67.24 1fjc s SER 25 CO 0.00 -0.68 1.79 0.49 0.41 0.00 0.00 173.24 175.25 1fjc n PHE 26 N -0.58 0.52 -0.09 2.43 3.01 -1.26 -3.70 117.46 117.79 1fjc n PHE 26 Ca -0.01 0.16 -0.23 0.00 1.01 0.00 0.00 57.45 58.38 1fjc n PHE 26 Cb 0.66 -0.76 -0.12 0.00 -0.01 0.00 0.00 39.48 39.25 1fjc n PHE 26 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1fjc n ASN 27 N -1.93 1.99 -4.10 4.37 2.85 -1.26 -4.96 115.26 112.21 1fjc n ASN 27 Ca 0.05 0.20 -0.33 0.00 -0.11 0.00 0.00 54.58 54.39 1fjc n ASN 27 Cb 0.35 -0.76 0.11 0.00 1.24 0.00 0.00 39.78 40.73 1fjc n ASN 27 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1fjc n ILE 28 N -3.83 0.00 -3.85 -1.44 5.41 -1.24 -5.02 119.36 109.39 1fjc n ILE 28 Ca -0.42 -0.16 -0.04 0.00 1.00 0.00 0.00 62.75 63.14 1fjc n ILE 28 Cb 0.91 -0.35 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 0.42 0.00 0.00 0.00 176.55 176.97 1fjc s THR 29 N -2.12 0.00 0.55 1.39 -4.23 -1.26 -4.92 115.64 105.05 1fjc s THR 29 Ca 0.45 -0.65 0.31 0.00 -1.18 0.00 0.00 61.69 60.62 1fjc s THR 29 Cb -0.02 -2.76 0.46 0.00 1.34 0.00 0.00 72.50 71.52 1fjc s THR 29 CO 0.62 0.00 1.86 -0.08 -0.54 0.00 0.00 174.62 176.48 1fjc h GLU 30 N 2.00 0.00 0.93 3.99 4.81 -1.94 -0.10 114.58 124.27 1fjc h GLU 30 Ca -0.28 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 1fjc h GLU 30 Cb 1.22 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.61 1fjc h GLU 30 CO 0.35 0.00 -0.45 0.22 -0.73 0.00 0.00 179.01 178.41 1fjc h ASP 31 N 0.00 -1.05 -0.59 1.04 3.58 -1.96 2.07 116.42 119.50 1fjc h ASP 31 Ca 0.39 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.92 1fjc h ASP 31 Cb 1.67 0.27 -0.03 0.00 1.72 0.00 0.00 39.33 42.96 1fjc h ASP 31 CO -0.00 -0.71 0.39 -0.33 -2.88 0.00 0.00 179.24 175.71 1fjc h GLU 32 N -1.33 0.61 -0.15 0.28 3.07 -1.56 0.47 114.58 115.98 1fjc h GLU 32 Ca -0.13 -0.04 -0.16 0.00 -0.50 0.00 0.00 59.36 58.53 1fjc h GLU 32 Cb 0.95 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1fjc h GLU 32 CO 0.21 0.40 -0.59 -0.07 -1.40 0.00 0.00 179.01 177.56 1fjc h LEU 33 N 0.63 0.55 -0.97 1.33 3.38 -0.72 0.11 115.31 119.62 1fjc h LEU 33 Ca 0.24 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1fjc h LEU 33 Cb 0.18 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1fjc h LEU 33 CO -0.07 1.02 -0.13 0.50 0.09 0.00 0.00 178.44 179.85 1fjc h LYS 34 N 0.37 0.00 0.07 1.13 3.64 0.57 0.49 116.57 122.84 1fjc h LYS 34 Ca -0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1fjc h LYS 34 Cb 1.14 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1fjc h LYS 34 CO 0.11 0.13 -1.50 1.49 -2.27 0.00 0.00 179.45 177.41 1fjc h GLU 35 N 0.00 0.14 0.12 1.90 4.81 0.33 -3.27 114.58 118.61 1fjc h GLU 35 Ca -0.00 -0.24 -0.31 0.00 -0.13 0.00 0.00 59.36 58.68 1fjc h GLU 35 Cb 0.76 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1fjc h GLU 35 CO 0.02 0.94 -1.58 0.28 -0.73 0.00 0.00 179.01 177.94 1fjc h VAL 36 N 0.04 1.10 -2.09 0.32 2.07 -0.58 -3.35 116.25 113.75 1fjc h VAL 36 Ca -0.22 -2.75 -0.78 0.00 0.82 0.00 0.00 66.70 63.77 1fjc h VAL 36 Cb 1.97 2.73 -0.27 0.00 -1.52 0.00 0.00 31.29 34.20 1fjc h VAL 36 CO 0.13 0.81 1.07 0.49 0.02 0.00 0.00 177.57 180.09 1fjc n PHE 37 N -3.44 2.85 1.47 1.57 3.72 0.17 -4.68 117.46 119.12 1fjc n PHE 37 Ca -0.18 -2.43 0.10 0.00 -0.05 0.00 0.00 57.45 54.89 1fjc n PHE 37 Cb 1.05 -1.21 0.58 0.00 -0.94 0.00 0.00 39.48 38.96 1fjc n PHE 37 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1fjc n GLU 38 N -0.25 0.74 -0.10 -1.08 2.13 -1.23 -2.55 120.64 118.29 1fjc n GLU 38 Ca 0.51 0.00 0.06 0.00 0.66 0.00 0.00 57.16 58.39 1fjc n GLU 38 Cb 0.25 -1.41 0.11 0.00 0.27 0.00 0.00 31.44 30.66 1fjc n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1fjc n ASP 39 N -0.91 2.52 -2.52 4.31 2.03 -1.26 -5.00 116.55 115.71 1fjc n ASP 39 Ca 0.15 -1.77 -0.04 0.00 0.52 0.00 0.00 54.79 53.64 1fjc n ASP 39 Cb 0.07 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 1fjc n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fjc n ALA 40 N 0.60 0.17 0.01 -1.67 0.00 -1.06 -4.30 120.51 114.27 1fjc n ALA 40 Ca 0.10 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.92 1fjc n ALA 40 Cb 0.37 0.15 -0.14 0.00 0.00 0.00 0.00 19.45 19.83 1fjc n ALA 40 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1fjc h LEU 41 N 0.00 0.42 -7.09 0.00 3.38 0.30 -3.43 115.31 108.90 1fjc h LEU 41 Ca -0.06 -0.93 0.33 0.00 0.09 0.00 0.00 57.88 57.31 1fjc h LEU 41 Cb 0.23 -0.14 -0.15 0.00 0.09 0.00 0.00 40.66 40.69 1fjc h LEU 41 CO 0.09 1.83 0.89 -1.83 0.09 0.00 0.00 178.44 179.51 1fjc s GLU 42 N -2.55 0.22 0.13 1.13 4.04 -0.95 -5.01 118.70 115.71 1fjc s GLU 42 Ca -0.22 -0.11 0.07 0.00 0.04 0.00 0.00 54.97 54.75 1fjc s GLU 42 Cb 0.06 0.08 -0.04 0.00 0.02 0.00 0.00 34.13 34.26 1fjc s GLU 42 CO 0.77 -0.10 -0.17 0.42 -1.84 0.00 0.00 175.26 174.34 1fjc s ILE 43 N -2.26 1.57 0.16 1.83 1.09 -1.26 -0.99 121.20 121.34 1fjc s ILE 43 Ca 0.13 -1.70 0.08 0.00 -1.10 0.00 0.00 60.65 58.06 1fjc s ILE 43 Cb 0.03 -1.60 -0.04 0.00 -1.06 0.00 0.00 42.46 39.80 1fjc s ILE 43 CO -0.04 -0.28 -0.19 -0.60 -0.10 0.00 0.00 174.94 173.73 1fjc s ARG 44 N -2.43 1.25 0.19 2.79 3.52 0.69 -4.88 118.95 120.08 1fjc s ARG 44 Ca 0.09 -1.37 -0.02 0.00 -0.13 0.00 0.00 55.73 54.30 1fjc s ARG 44 Cb -0.07 -1.35 -0.05 0.00 -1.56 0.00 0.00 34.95 31.93 1fjc s ARG 44 CO 0.04 0.28 0.40 -1.17 -0.81 0.00 0.00 175.30 174.04 1fjc s LEU 45 N -2.55 4.22 -0.17 -0.88 1.98 -1.26 0.44 118.68 120.47 1fjc s LEU 45 Ca 0.14 0.49 -0.11 0.00 -2.89 0.00 0.00 54.13 51.77 1fjc s LEU 45 Cb -0.06 -3.25 0.05 0.00 0.66 0.00 0.00 46.19 43.59 1fjc s LEU 45 CO 0.06 -0.03 0.41 -0.69 -1.89 0.00 0.00 176.35 174.22 1fjc s VAL 46 N -1.82 -0.02 0.00 1.68 1.01 0.77 -4.70 120.40 117.32 1fjc s VAL 46 Ca 0.40 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1fjc s VAL 46 Cb -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1fjc s VAL 46 CO 0.28 0.03 0.00 -1.54 0.00 0.00 0.00 175.10 173.86 1fjc n SER 47 N 3.85 0.00 0.00 3.32 3.41 -1.26 -0.24 113.62 122.70 1fjc n SER 47 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1fjc n SER 47 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 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 3.55 0.10 4.33 10.64 -0.81 -4.68 117.38 130.52 1fjc n GLN 48 Ca 0.00 0.00 0.20 0.00 -1.83 0.00 0.00 57.00 55.37 1fjc n GLN 48 Cb 0.00 0.00 0.67 0.00 -0.86 0.00 0.00 30.24 30.05 1fjc n GLN 48 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1fjc h ASP 49 N 0.00 0.00 0.00 2.61 5.19 -2.02 -3.34 116.42 118.86 1fjc h ASP 49 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1fjc h ASP 49 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1fjc h ASP 49 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1fjc n GLY 50 N -1.47 -1.37 3.21 2.75 0.00 -1.26 -5.14 105.19 101.91 1fjc n GLY 50 Ca 0.08 0.63 0.04 0.00 0.00 0.00 0.00 46.02 46.77 1fjc n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fjc s LYS 51 N 0.00 0.12 -0.01 1.61 1.02 -1.26 -5.12 119.74 116.10 1fjc s LYS 51 Ca 0.00 0.26 -0.30 0.00 0.02 0.00 0.00 55.97 55.95 1fjc s LYS 51 Cb 0.00 0.15 -0.15 0.00 -0.52 0.00 0.00 37.83 37.31 1fjc s LYS 51 CO 0.00 -0.08 0.80 0.45 -0.92 0.00 0.00 175.35 175.60 1fjc n SER 52 N 5.04 0.03 -0.00 2.83 2.88 -1.26 -1.91 113.62 121.22 1fjc n SER 52 Ca -0.08 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 1fjc n SER 52 Cb 0.54 -0.67 -0.01 0.00 -0.75 0.00 0.00 64.21 63.32 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 1.18 5.88 -0.37 -1.46 0.00 -1.25 -4.73 118.16 117.41 1fjc n LYS 53 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.46 1fjc n LYS 53 Cb 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 35.03 34.48 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 1.19 1.69 3.62 3.14 0.00 -1.24 -4.58 105.19 109.02 1fjc n GLY 54 Ca 0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 3.45 -0.13 -0.61 -1.09 0.67 -0.71 121.20 120.77 1fjc s ILE 55 Ca 0.00 -1.64 -0.30 0.00 -2.23 0.00 0.00 60.65 56.48 1fjc s ILE 55 Cb 0.00 -2.75 0.10 0.00 -1.58 0.00 0.00 42.46 38.23 1fjc s ILE 55 CO 0.00 -0.18 0.87 0.00 -1.23 0.00 0.00 174.94 174.40 1fjc s ALA 56 N -1.87 -1.87 -0.16 9.38 0.00 0.69 0.27 121.76 128.20 1fjc s ALA 56 Ca 0.27 1.51 -0.10 0.00 0.00 0.00 0.00 51.96 53.65 1fjc s ALA 56 Cb -0.08 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 1fjc s ALA 56 CO 0.18 -0.33 0.16 0.71 0.00 0.00 0.00 175.76 176.48 1fjc s TYR 57 N -1.02 3.49 -0.19 0.00 2.02 0.17 0.26 117.35 122.09 1fjc s TYR 57 Ca -0.05 0.44 0.01 0.00 -0.37 0.00 0.00 57.07 57.10 1fjc s TYR 57 Cb -0.01 -2.11 0.03 0.00 -0.40 0.00 0.00 41.96 39.47 1fjc s TYR 57 CO 0.04 0.44 -0.14 0.42 -1.57 0.00 0.00 175.55 174.74 1fjc s ILE 58 N -0.13 1.80 -0.19 2.71 -1.09 0.41 0.25 121.20 124.96 1fjc s ILE 58 Ca 0.12 -0.95 -0.05 0.00 -2.23 0.00 0.00 60.65 57.54 1fjc s ILE 58 Cb -0.12 -1.75 -0.03 0.00 -1.58 0.00 0.00 42.46 38.99 1fjc s ILE 58 CO 0.01 0.34 -0.00 -1.61 -1.23 0.00 0.00 174.94 172.45 1fjc s GLU 59 N 1.36 3.65 0.48 2.79 2.02 -0.16 0.16 118.70 129.00 1fjc s GLU 59 Ca 0.01 -0.51 0.07 0.00 0.02 0.00 0.00 54.97 54.57 1fjc s GLU 59 Cb -0.15 -3.06 0.01 0.00 0.10 0.00 0.00 34.13 31.04 1fjc s GLU 59 CO -0.10 0.07 0.45 -0.06 0.02 0.00 0.00 175.26 175.65 1fjc s PHE 60 N 0.83 2.21 0.32 1.61 0.40 -0.11 0.25 117.98 123.49 1fjc s PHE 60 Ca 0.01 -0.62 0.27 0.00 -0.60 0.00 0.00 56.93 55.98 1fjc s PHE 60 Cb -0.14 -2.11 1.46 0.00 0.51 0.00 0.00 43.02 42.74 1fjc s PHE 60 CO 0.02 -0.39 1.80 -0.22 0.70 0.00 0.00 175.22 177.13 1fjc h LYS 61 N 0.81 0.00 0.00 0.44 1.63 -1.82 -3.41 116.57 114.22 1fjc h LYS 61 Ca -0.38 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.42 1fjc h LYS 61 Cb 1.28 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1fjc h LYS 61 CO 0.54 0.00 0.00 0.45 -3.45 0.00 0.00 179.45 176.99 1fjc n SER 62 N -2.58 0.00 -0.22 4.20 2.88 -1.26 -4.96 113.62 111.68 1fjc n SER 62 Ca -0.02 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.44 1fjc n SER 62 Cb 0.23 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.72 1fjc n SER 62 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1fjc h GLU 63 N 0.00 1.02 -0.73 -1.46 3.07 -1.78 -0.24 114.58 114.46 1fjc h GLU 63 Ca 0.00 -0.26 -0.03 0.00 -0.50 0.00 0.00 59.36 58.57 1fjc h GLU 63 Cb 0.00 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.75 1fjc h GLU 63 CO 0.00 0.94 0.33 0.00 -1.40 0.00 0.00 179.01 178.88 1fjc h ALA 64 N 1.04 1.20 0.14 3.43 0.00 -1.93 1.13 119.26 124.26 1fjc h ALA 64 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1fjc h ALA 64 Cb 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1fjc h ALA 64 CO 0.01 0.60 -0.07 -0.44 0.00 0.00 0.00 179.25 179.35 1fjc h ASP 65 N 1.04 -0.16 0.09 0.00 5.19 -1.85 0.11 116.42 120.85 1fjc h ASP 65 Ca 0.25 -0.36 -0.05 0.00 -0.62 0.00 0.00 57.03 56.25 1fjc h ASP 65 Cb 0.14 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 1fjc h ASP 65 CO -0.03 0.33 -0.16 0.00 -3.12 0.00 0.00 179.24 176.26 1fjc h ALA 66 N 0.03 1.55 0.02 3.45 0.00 -0.88 -0.32 119.26 123.11 1fjc h ALA 66 Ca -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1fjc h ALA 66 Cb 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1fjc h ALA 66 CO 0.03 0.33 -0.01 0.93 0.00 0.00 0.00 179.25 180.53 1fjc h GLU 67 N 0.15 -0.02 -0.87 0.00 4.39 0.14 0.36 114.58 118.72 1fjc h GLU 67 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1fjc h GLU 67 Cb 0.38 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 1fjc h GLU 67 CO 0.02 0.68 0.54 -0.22 -1.16 0.00 0.00 179.01 178.87 1fjc h LYS 68 N -0.75 1.16 -0.00 2.33 1.63 -0.66 -0.46 116.57 119.82 1fjc h LYS 68 Ca -0.00 -0.09 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1fjc h LYS 68 Cb 0.71 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1fjc h LYS 68 CO 0.00 0.80 -0.00 -0.91 -3.45 0.00 0.00 179.45 175.89 1fjc h ASN 69 N 1.18 0.00 -0.81 4.20 -0.26 -1.11 0.35 115.58 119.13 1fjc h ASN 69 Ca 0.31 -0.75 0.16 0.00 -0.56 0.00 0.00 56.30 55.46 1fjc h ASN 69 Cb -0.08 -0.00 -0.10 0.00 -1.06 0.00 0.00 38.32 37.08 1fjc h ASN 69 CO -0.06 0.75 0.37 0.25 -1.06 0.00 0.00 177.43 177.68 1fjc h LEU 70 N -0.74 0.39 0.09 1.61 6.46 -0.15 0.23 115.31 123.20 1fjc h LEU 70 Ca -0.00 0.11 -0.28 0.00 -0.12 0.00 0.00 57.88 57.59 1fjc h LEU 70 Cb 0.75 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.74 1fjc h LEU 70 CO 0.00 0.14 -1.33 1.05 -0.62 0.00 0.00 178.44 177.67 1fjc h GLU 71 N 0.51 0.20 0.00 1.25 -0.00 -1.12 -1.01 114.58 114.41 1fjc h GLU 71 Ca 0.46 -0.34 -0.02 0.00 -0.00 0.00 0.00 59.36 59.46 1fjc h GLU 71 Cb 0.70 0.13 -0.00 0.00 -0.00 0.00 0.00 28.75 29.58 1fjc h GLU 71 CO -0.41 1.10 -0.08 1.49 -0.00 0.00 0.00 179.01 181.11 1fjc h GLU 72 N 0.05 0.00 0.00 1.06 4.81 0.96 -3.38 114.58 118.09 1fjc h GLU 72 Ca -0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1fjc h GLU 72 Cb 1.96 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.34 1fjc h GLU 72 CO 0.17 0.08 -0.06 1.63 -0.73 0.00 0.00 179.01 180.10 1fjc n LYS 73 N -3.28 0.03 -2.57 1.92 4.01 0.69 -5.01 118.16 113.95 1fjc n LYS 73 Ca -0.00 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 1fjc n LYS 73 Cb 0.29 -0.27 0.00 0.00 -0.51 0.00 0.00 35.03 34.54 1fjc n LYS 73 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1fjc n GLN 74 N -2.85 -0.28 0.00 1.97 -0.06 -0.38 -3.17 117.38 112.61 1fjc n GLN 74 Ca -0.01 0.63 0.00 0.00 -2.00 0.00 0.00 57.00 55.62 1fjc n GLN 74 Cb 0.03 -0.74 0.00 0.00 -4.06 0.00 0.00 30.24 25.47 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 1.22 2.34 2.71 1.69 0.00 0.40 -4.80 105.19 108.75 1fjc n GLY 75 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.16 -2.35 4.61 0.00 -1.19 0.25 120.51 121.68 1fjc n ALA 76 Ca 0.00 0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.43 1fjc n ALA 76 Cb 0.00 -1.68 0.02 0.00 0.00 0.00 0.00 19.45 17.78 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 -0.75 -0.88 -4.41 0.00 4.71 -1.26 -4.85 120.64 113.20 1fjc n GLU 77 Ca -0.10 0.72 -0.20 0.00 -0.01 0.00 0.00 57.16 57.57 1fjc n GLU 77 Cb 0.56 -1.00 -0.10 0.00 -1.01 0.00 0.00 31.44 29.88 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 -0.77 1.49 -1.83 -3.67 1.01 0.44 -4.72 121.20 113.15 1fjc s ILE 78 Ca 0.17 -2.10 -0.22 0.00 0.00 0.00 0.00 60.65 58.51 1fjc s ILE 78 Cb -0.02 -2.44 0.21 0.00 0.01 0.00 0.00 42.46 40.22 1fjc s ILE 78 CO 0.38 -0.29 0.61 -0.67 0.00 0.00 0.00 174.94 174.97 1fjc n ASP 79 N -0.55 -2.02 -2.23 3.58 -0.08 -1.26 0.26 116.55 114.25 1fjc n ASP 79 Ca -0.05 -1.20 -0.18 0.00 -1.51 0.00 0.00 54.79 51.85 1fjc n ASP 79 Cb 0.64 -1.87 0.00 0.00 2.34 0.00 0.00 41.12 42.23 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 -1.21 -0.38 3.62 0.27 0.00 -1.26 -4.95 105.19 101.28 1fjc n GLY 80 Ca 0.09 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -5.08 0.37 -0.03 1.61 1.70 0.74 -5.14 118.95 113.12 1fjc s ARG 81 Ca 0.07 0.24 -0.29 0.00 -0.47 0.00 0.00 55.73 55.29 1fjc s ARG 81 Cb -0.03 0.18 -0.03 0.00 -0.57 0.00 0.00 34.95 34.50 1fjc s ARG 81 CO 0.09 -0.08 0.94 -1.54 -1.08 0.00 0.00 175.30 173.63 1fjc s SER 82 N -0.46 7.29 0.09 -2.89 1.04 -1.26 0.17 113.70 117.67 1fjc s SER 82 Ca 0.03 1.57 -0.31 0.00 0.48 0.00 0.00 55.95 57.72 1fjc s SER 82 Cb -0.03 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 63.48 1fjc s SER 82 CO -0.06 -0.27 1.37 -0.69 0.98 0.00 0.00 173.24 174.58 1fjc s VAL 83 N 1.14 3.46 0.35 5.02 1.01 0.69 -4.64 120.40 127.44 1fjc s VAL 83 Ca 0.49 1.02 -0.27 0.00 0.00 0.00 0.00 61.98 63.22 1fjc s VAL 83 Cb -0.20 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1fjc s VAL 83 CO 0.25 0.06 1.10 -0.44 0.00 0.00 0.00 175.10 176.07 1fjc s SER 84 N 1.28 6.92 -0.15 3.32 0.01 0.70 0.15 113.70 125.92 1fjc s SER 84 Ca 0.64 2.21 0.02 0.00 1.31 0.00 0.00 55.95 60.13 1fjc s SER 84 Cb -0.35 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.29 1fjc s SER 84 CO 0.29 -0.39 -0.20 -0.76 0.41 0.00 0.00 173.24 172.60 1fjc s LEU 85 N -2.10 2.05 -0.40 2.44 1.02 -1.26 0.26 118.68 120.68 1fjc s LEU 85 Ca 0.52 -0.60 -0.04 0.00 0.02 0.00 0.00 54.13 54.03 1fjc s LEU 85 Cb -0.28 -1.41 0.10 0.00 0.02 0.00 0.00 46.19 44.61 1fjc s LEU 85 CO 0.36 0.03 0.19 -0.31 0.02 0.00 0.00 176.35 176.64 1fjc s TYR 86 N 1.07 3.49 0.88 0.29 1.51 0.63 -4.80 117.35 120.42 1fjc s TYR 86 Ca -0.01 -2.14 -0.14 0.00 -1.01 0.00 0.00 57.07 53.77 1fjc s TYR 86 Cb -0.14 -3.03 0.02 0.00 -0.11 0.00 0.00 41.96 38.70 1fjc s TYR 86 CO -0.07 -0.93 -0.28 0.98 -1.11 0.00 0.00 175.55 174.14 1fjc n TYR 87 N 4.68 -1.66 -2.51 2.71 9.36 -1.26 0.27 117.16 128.75 1fjc n TYR 87 Ca -0.06 0.37 0.00 0.00 3.32 0.00 0.00 57.90 61.54 1fjc n TYR 87 Cb 0.42 -1.41 0.00 0.00 -0.63 0.00 0.00 39.34 37.72 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 -3.79 -1.44 -0.10 2.97 5.66 0.19 -1.19 114.28 116.58 1fjc n THR 88 Ca 0.02 0.34 0.24 0.00 -3.05 0.00 0.00 64.05 61.60 1fjc n THR 88 Cb 0.39 -2.22 0.47 0.00 -1.55 0.00 0.00 70.33 67.42 1fjc n THR 88 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1fjc h GLY 89 N 3.06 0.00 0.44 1.09 0.00 -1.13 0.32 103.07 106.84 1fjc h GLY 89 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1fjc h GLY 89 CO 0.00 0.00 -0.07 -2.09 0.00 0.00 0.00 176.54 174.38 1fjc h GLU 90 N 0.00 -0.18 -1.37 4.80 4.57 -1.81 -3.42 114.58 117.17 1fjc h GLU 90 Ca 0.38 0.01 -0.40 0.00 -1.18 0.00 0.00 59.36 58.17 1fjc h GLU 90 Cb 2.45 0.04 -0.32 0.00 -0.16 0.00 0.00 28.75 30.75 1fjc h GLU 90 CO -0.00 0.27 -0.97 1.17 -1.18 0.00 0.00 179.01 178.30 1fjc n LYS 91 N -4.93 0.99 -0.45 1.92 4.81 0.95 -5.13 118.16 116.32 1fjc n LYS 91 Ca -0.08 -2.94 -0.25 0.00 -0.87 0.00 0.00 58.31 54.17 1fjc n LYS 91 Cb 0.27 -1.48 0.21 0.00 0.02 0.00 0.00 35.03 34.05 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 0.29 -2.89 0.00 3.14 0.00 -0.24 -4.83 105.19 100.66 1fjc n GLY 92 Ca 0.19 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 2.05 -0.53 3.78 -0.02 0.00 -1.26 -4.83 105.19 104.38 1fjc n GLY 93 Ca 0.07 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.90 3.54 0.00 2.61 2.01 -1.26 -4.64 115.64 116.00 1fjc s THR 94 Ca 0.00 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.06 1fjc s THR 94 Cb 0.00 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.03 1fjc s THR 94 CO 0.00 -0.12 0.00 -1.14 -0.69 0.00 0.00 174.62 172.67 1fjc n ARG 95 N -0.68 0.00 0.00 4.92 0.63 -1.26 -5.16 116.66 115.11 1fjc n ARG 95 Ca 0.08 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.12 1fjc n ARG 95 Cb 0.51 0.00 0.63 0.00 0.45 0.00 0.00 32.46 34.04 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53