#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 0.00 0.00 1.43 -0.00 -1.26 -5.14 115.22 110.25 1fjc n HIS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1fjc n HIS 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1fjc n HIS 2 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1fjc n MET 3 N -0.18 0.00 -3.01 -0.41 0.00 -1.26 -5.12 117.12 107.14 1fjc n MET 3 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.62 1fjc n MET 3 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 1fjc n MET 3 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1fjc s LEU 4 N 0.00 -0.91 -0.25 -0.89 0.20 -1.26 -5.11 118.68 110.46 1fjc s LEU 4 Ca 0.00 -1.72 -0.05 0.00 0.69 0.00 0.00 54.13 53.05 1fjc s LEU 4 Cb 0.00 1.43 0.13 0.00 -0.43 0.00 0.00 46.19 47.33 1fjc s LEU 4 CO 0.00 -0.11 0.49 -1.83 -0.29 0.00 0.00 176.35 174.60 1fjc s GLU 5 N 1.01 0.43 0.70 1.98 -1.05 -1.26 -5.14 118.70 115.37 1fjc s GLU 5 Ca 0.26 0.95 -0.16 0.00 -0.15 0.00 0.00 54.97 55.87 1fjc s GLU 5 Cb -0.02 0.24 -0.02 0.00 -0.44 0.00 0.00 34.13 33.89 1fjc s GLU 5 CO -0.07 -0.44 0.80 -0.25 0.95 0.00 0.00 175.26 176.25 1fjc n ASP 6 N 5.40 -0.10 -3.34 0.83 8.00 -1.26 -4.99 116.55 121.09 1fjc n ASP 6 Ca -0.06 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.10 1fjc n ASP 6 Cb 0.50 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 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 1.04 -0.21 -0.24 -0.04 -1.26 -4.90 135.00 128.09 1fjc n PRO 7 Ca 0.12 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.55 1fjc n PRO 7 Cb 0.49 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.03 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 -4.81 0.00 0.00 0.00 -1.04 -1.26 -4.97 114.28 102.20 1fjc n THR 9 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1fjc n THR 9 Cb 0.14 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 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 0.00 0.00 -0.08 8.00 7.64 -1.26 -4.99 113.62 122.93 1fjc n SER 10 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1fjc n SER 10 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.00 0.47 -0.06 1.43 4.81 -1.26 -4.21 118.16 119.34 1fjc n LYS 11 Ca 0.00 0.19 0.04 0.00 -0.87 0.00 0.00 58.31 57.67 1fjc n LYS 11 Cb 0.00 -1.33 0.18 0.00 0.02 0.00 0.00 35.03 33.90 1fjc n LYS 11 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1fjc n LYS 12 N -4.30 1.31 -0.06 1.64 5.02 -1.26 -3.35 118.16 117.16 1fjc n LYS 12 Ca -0.13 -0.48 -0.08 0.00 -2.02 0.00 0.00 58.31 55.61 1fjc n LYS 12 Cb 0.47 -1.17 -0.15 0.00 -0.02 0.00 0.00 35.03 34.15 1fjc n LYS 12 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1fjc n VAL 13 N -0.17 1.36 0.13 -0.18 0.31 -1.26 -4.13 118.33 114.39 1fjc n VAL 13 Ca 0.08 -0.81 -0.01 0.00 -0.01 0.00 0.00 64.34 63.60 1fjc n VAL 13 Cb 0.13 -0.63 0.10 0.00 -0.91 0.00 0.00 33.84 32.53 1fjc n VAL 13 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1fjc h ARG 14 N 0.00 0.00 0.00 5.55 -0.00 -1.72 -2.90 114.38 115.30 1fjc h ARG 14 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.57 1fjc h ARG 14 Cb 2.05 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 32.02 1fjc h ARG 14 CO 0.04 0.65 0.00 0.00 -0.00 0.00 0.00 179.97 180.66 1fjc n ALA 15 N -2.33 2.14 0.21 0.08 0.00 -1.26 -3.11 120.51 116.24 1fjc n ALA 15 Ca -0.00 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.42 1fjc n ALA 15 Cb 0.71 -1.39 0.48 0.00 0.00 0.00 0.00 19.45 19.24 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 2.93 1.26 -0.30 0.00 0.00 -1.66 -2.39 119.26 119.09 1fjc h ALA 16 Ca 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1fjc h ALA 16 Cb 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1fjc h ALA 16 CO 0.00 0.35 0.06 2.89 0.00 0.00 0.00 179.25 182.55 1fjc n ARG 17 N -3.80 2.58 -3.69 0.00 1.85 -1.18 -3.93 116.66 108.49 1fjc n ARG 17 Ca -0.01 -1.45 -0.15 0.00 -1.00 0.00 0.00 57.85 55.24 1fjc n ARG 17 Cb 0.37 -1.80 -0.08 0.00 -1.05 0.00 0.00 32.46 29.90 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 -1.76 0.04 0.10 8.89 2.01 -0.90 0.25 115.64 124.26 1fjc s THR 18 Ca 0.25 -0.31 -0.06 0.00 0.31 0.00 0.00 61.69 61.89 1fjc s THR 18 Cb 0.20 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.97 1fjc s THR 18 CO 0.07 -0.17 0.14 -1.48 -0.69 0.00 0.00 174.62 172.50 1fjc s LEU 19 N -1.17 1.61 -0.21 4.42 0.05 0.46 -3.33 118.68 120.51 1fjc s LEU 19 Ca -0.12 -0.82 -0.08 0.00 0.05 0.00 0.00 54.13 53.16 1fjc s LEU 19 Cb -0.04 0.81 -0.04 0.00 -2.05 0.00 0.00 46.19 44.87 1fjc s LEU 19 CO 0.06 -0.73 0.08 -0.22 -0.55 0.00 0.00 176.35 174.99 1fjc s LEU 20 N -2.91 3.78 0.24 1.48 1.98 0.74 0.27 118.68 124.26 1fjc s LEU 20 Ca 0.09 0.01 -0.19 0.00 -2.89 0.00 0.00 54.13 51.16 1fjc s LEU 20 Cb 0.06 -1.98 -0.08 0.00 0.66 0.00 0.00 46.19 44.84 1fjc s LEU 20 CO -0.08 0.10 0.72 0.00 -1.89 0.00 0.00 176.35 175.20 1fjc s ALA 21 N 0.84 3.40 0.26 5.97 0.00 0.72 0.26 121.76 133.21 1fjc s ALA 21 Ca 0.04 0.13 -0.02 0.00 0.00 0.00 0.00 51.96 52.11 1fjc s ALA 21 Cb -0.13 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 1fjc s ALA 21 CO 0.02 0.33 0.28 0.21 0.00 0.00 0.00 175.76 176.61 1fjc s LYS 22 N -2.16 1.48 -0.52 0.00 2.20 0.36 -0.23 119.74 120.86 1fjc s LYS 22 Ca 0.45 -1.64 0.00 0.00 -0.36 0.00 0.00 55.97 54.42 1fjc s LYS 22 Cb -0.15 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 1fjc s LYS 22 CO 0.20 -0.55 0.00 -1.71 -0.36 0.00 0.00 175.35 172.93 1fjc n ASN 23 N -0.70 -4.48 -4.79 1.43 5.15 0.11 -0.12 115.26 111.87 1fjc n ASN 23 Ca 0.02 0.12 -0.32 0.00 -0.60 0.00 0.00 54.58 53.80 1fjc n ASN 23 Cb 0.64 -2.41 0.06 0.00 -0.53 0.00 0.00 39.78 37.53 1fjc n ASN 23 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1fjc s LEU 24 N -1.11 3.22 0.00 1.20 2.01 0.43 -4.75 118.68 119.68 1fjc s LEU 24 Ca 0.00 1.80 0.00 0.00 0.01 0.00 0.00 54.13 55.94 1fjc s LEU 24 Cb 0.00 -4.52 0.00 0.00 0.01 0.00 0.00 46.19 41.68 1fjc s LEU 24 CO 0.00 -1.63 0.00 -0.24 1.01 0.00 0.00 176.35 175.49 1fjc n SER 25 N -2.91 0.00 0.02 2.29 2.88 -1.26 -3.76 113.62 110.89 1fjc n SER 25 Ca 0.09 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.66 1fjc n SER 25 Cb 0.53 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.90 1fjc n SER 25 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1fjc n PHE 26 N 0.00 0.72 0.01 0.66 3.01 -1.26 -4.16 117.46 116.44 1fjc n PHE 26 Ca 0.00 0.23 -0.08 0.00 1.01 0.00 0.00 57.45 58.61 1fjc n PHE 26 Cb 0.00 -0.96 -0.13 0.00 -0.01 0.00 0.00 39.48 38.38 1fjc n PHE 26 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1fjc h ASN 27 N 0.00 0.02 -3.52 4.37 -0.73 -2.02 -3.47 115.58 110.24 1fjc h ASN 27 Ca -0.15 -0.03 -0.55 0.00 1.87 0.00 0.00 56.30 57.44 1fjc h ASN 27 Cb 1.45 -0.01 0.19 0.00 0.27 0.00 0.00 38.32 40.22 1fjc h ASN 27 CO 0.03 1.02 -0.18 0.00 -0.37 0.00 0.00 177.43 177.93 1fjc n ILE 28 N -3.18 1.94 -3.83 2.57 0.13 -1.26 -5.00 119.36 110.72 1fjc n ILE 28 Ca -0.10 -0.35 -0.07 0.00 -1.10 0.00 0.00 62.75 61.14 1fjc n ILE 28 Cb 1.01 -0.89 0.01 0.00 -0.84 0.00 0.00 39.64 38.93 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 -1.96 0.00 0.64 9.51 -4.23 -1.26 -4.90 115.64 113.44 1fjc s THR 29 Ca 0.68 -0.87 0.30 0.00 -1.18 0.00 0.00 61.69 60.62 1fjc s THR 29 Cb -0.33 -2.66 0.32 0.00 1.34 0.00 0.00 72.50 71.18 1fjc s THR 29 CO 0.56 0.00 1.93 -0.08 -0.54 0.00 0.00 174.62 176.48 1fjc h GLU 30 N 2.00 0.00 0.43 3.99 4.22 -1.90 -0.31 114.58 123.01 1fjc h GLU 30 Ca -0.28 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.14 1fjc h GLU 30 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1fjc h GLU 30 CO 0.35 0.00 -0.21 0.22 -2.18 0.00 0.00 179.01 177.20 1fjc h ASP 31 N 0.00 -0.49 0.15 1.04 3.58 -1.95 2.06 116.42 120.80 1fjc h ASP 31 Ca 0.05 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.48 1fjc h ASP 31 Cb 0.77 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 1fjc h ASP 31 CO -0.00 -0.33 -0.17 1.05 -2.88 0.00 0.00 179.24 176.92 1fjc h GLU 32 N -0.63 0.04 -0.16 0.28 -0.00 -1.76 0.27 114.58 112.61 1fjc h GLU 32 Ca -0.06 -0.01 -0.14 0.00 -0.00 0.00 0.00 59.36 59.15 1fjc h GLU 32 Cb 0.44 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.18 1fjc h GLU 32 CO 0.10 0.21 -0.51 -0.07 -0.00 0.00 0.00 179.01 178.74 1fjc h LEU 33 N 0.04 0.50 -0.57 3.06 3.38 -0.90 0.17 115.31 120.97 1fjc h LEU 33 Ca 0.01 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 1fjc h LEU 33 Cb 0.32 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1fjc h LEU 33 CO 0.02 0.92 -0.52 0.50 0.09 0.00 0.00 178.44 179.45 1fjc h LYS 34 N 0.36 0.00 0.03 1.13 3.64 0.48 0.19 116.57 122.39 1fjc h LYS 34 Ca 0.01 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.18 1fjc h LYS 34 Cb 1.02 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1fjc h LYS 34 CO 0.09 0.52 -1.00 1.49 -2.27 0.00 0.00 179.45 178.28 1fjc h GLU 35 N 0.00 0.10 0.14 1.90 4.81 -0.03 -1.91 114.58 119.59 1fjc h GLU 35 Ca -0.01 -0.14 -0.31 0.00 -0.13 0.00 0.00 59.36 58.77 1fjc h GLU 35 Cb 1.15 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1fjc h GLU 35 CO 0.07 1.01 -1.55 0.28 -0.73 0.00 0.00 179.01 178.09 1fjc h VAL 36 N 0.04 1.14 -1.02 0.32 2.07 -0.53 -3.33 116.25 114.94 1fjc h VAL 36 Ca -0.04 -2.75 -0.65 0.00 0.82 0.00 0.00 66.70 64.07 1fjc h VAL 36 Cb 1.71 2.79 -0.33 0.00 -1.52 0.00 0.00 31.29 33.95 1fjc h VAL 36 CO 0.14 0.83 0.42 0.49 0.02 0.00 0.00 177.57 179.48 1fjc n PHE 37 N -3.50 3.10 0.24 1.57 3.72 0.64 -4.72 117.46 118.51 1fjc n PHE 37 Ca -0.17 -2.79 0.14 0.00 -0.05 0.00 0.00 57.45 54.58 1fjc n PHE 37 Cb 1.05 -1.12 0.57 0.00 -0.94 0.00 0.00 39.48 39.04 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 2.13 0.00 0.00 -1.08 5.08 -1.46 1.36 114.58 120.60 1fjc h GLU 38 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 1fjc h GLU 38 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1fjc h GLU 38 CO 1.36 0.00 -0.33 -3.47 -1.00 0.00 0.00 179.01 175.57 1fjc n ASP 39 N -2.98 0.38 -4.87 1.42 -0.08 -1.26 -4.88 116.55 104.28 1fjc n ASP 39 Ca 0.03 0.07 -0.30 0.00 -1.51 0.00 0.00 54.79 53.07 1fjc n ASP 39 Cb 0.69 -0.04 -0.01 0.00 2.34 0.00 0.00 41.12 44.09 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 -3.02 3.19 0.11 -1.67 0.00 0.46 -4.21 121.76 116.62 1fjc s ALA 40 Ca 0.11 -0.14 -0.13 0.00 0.00 0.00 0.00 51.96 51.80 1fjc s ALA 40 Cb 0.17 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 20.28 1fjc s ALA 40 CO 0.64 -0.43 1.41 -0.07 0.00 0.00 0.00 175.76 177.31 1fjc h LEU 41 N 0.27 0.86 -7.09 0.00 3.38 -0.34 -3.46 115.31 108.92 1fjc h LEU 41 Ca -0.46 -0.50 0.24 0.00 0.09 0.00 0.00 57.88 57.25 1fjc h LEU 41 Cb 1.19 -0.24 -0.16 0.00 0.09 0.00 0.00 40.66 41.54 1fjc h LEU 41 CO 0.62 1.19 0.74 -1.83 0.09 0.00 0.00 178.44 179.25 1fjc s GLU 42 N -4.24 0.48 0.07 1.13 -1.05 -1.03 -5.03 118.70 109.02 1fjc s GLU 42 Ca -0.12 -0.21 0.05 0.00 -0.15 0.00 0.00 54.97 54.54 1fjc s GLU 42 Cb 0.09 0.20 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 1fjc s GLU 42 CO 0.86 -0.21 -0.13 0.42 0.95 0.00 0.00 175.26 177.15 1fjc s ILE 43 N -2.60 1.01 0.26 1.83 1.01 -1.26 -1.16 121.20 120.29 1fjc s ILE 43 Ca 0.10 -1.34 0.10 0.00 0.00 0.00 0.00 60.65 59.52 1fjc s ILE 43 Cb 0.00 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 1fjc s ILE 43 CO -0.05 -0.30 -0.17 -0.60 0.00 0.00 0.00 174.94 173.82 1fjc s ARG 44 N -1.90 1.59 0.20 2.79 3.52 0.70 -4.82 118.95 121.02 1fjc s ARG 44 Ca -0.02 -1.73 0.04 0.00 -0.13 0.00 0.00 55.73 53.89 1fjc s ARG 44 Cb -0.09 -1.56 -0.03 0.00 -1.56 0.00 0.00 34.95 31.71 1fjc s ARG 44 CO 0.02 0.27 0.27 -1.17 -0.81 0.00 0.00 175.30 173.87 1fjc s LEU 45 N -3.46 4.15 -0.17 -0.88 1.98 -1.26 0.12 118.68 119.16 1fjc s LEU 45 Ca 0.28 0.02 -0.09 0.00 -2.89 0.00 0.00 54.13 51.45 1fjc s LEU 45 Cb -0.03 -2.71 0.06 0.00 0.66 0.00 0.00 46.19 44.17 1fjc s LEU 45 CO 0.13 0.00 0.40 -0.69 -1.89 0.00 0.00 176.35 174.30 1fjc s VAL 46 N -1.88 -0.12 0.00 1.68 1.01 0.76 -4.61 120.40 117.24 1fjc s VAL 46 Ca 0.33 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1fjc s VAL 46 Cb -0.10 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1fjc s VAL 46 CO 0.27 0.05 0.00 -1.54 0.00 0.00 0.00 175.10 173.88 1fjc n SER 47 N 4.44 0.22 -1.99 3.32 3.41 -1.26 -0.30 113.62 121.46 1fjc n SER 47 Ca -0.21 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.19 1fjc n SER 47 Cb 0.54 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.56 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 2.05 -0.88 4.33 10.64 0.16 -4.65 117.38 129.03 1fjc n GLN 48 Ca 0.00 -2.11 0.00 0.00 -1.83 0.00 0.00 57.00 53.06 1fjc n GLN 48 Cb 0.00 -1.83 0.00 0.00 -0.86 0.00 0.00 30.24 27.55 1fjc n GLN 48 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1fjc n ASP 49 N -0.19 -2.63 0.00 2.61 -0.08 -1.26 -4.44 116.55 110.56 1fjc n ASP 49 Ca 0.41 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1fjc n ASP 49 Cb 0.74 -1.85 0.00 0.00 2.34 0.00 0.00 41.12 42.36 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 -1.30 0.00 0.00 0.27 0.00 -1.26 -5.14 105.19 97.77 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 0.28 0.00 0.00 0.00 173.32 173.60 1fjc n LYS 51 N 0.00 0.00 -1.37 1.61 4.76 -1.26 -5.11 118.16 116.79 1fjc n LYS 51 Ca 0.00 0.00 -0.54 0.00 -2.87 0.00 0.00 58.31 54.90 1fjc n LYS 51 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 1fjc n LYS 51 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1fjc n SER 52 N 0.00 0.30 -0.00 4.39 2.88 -1.26 -0.66 113.62 119.27 1fjc n SER 52 Ca 0.00 1.02 0.02 0.00 -1.33 0.00 0.00 58.87 58.57 1fjc n SER 52 Cb 0.00 -0.79 -0.03 0.00 -0.75 0.00 0.00 64.21 62.64 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 1.94 0.79 -0.03 -1.46 3.00 -1.25 -4.63 118.16 116.53 1fjc n LYS 53 Ca 0.20 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 1fjc n LYS 53 Cb 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 35.03 34.03 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 2.16 1.64 3.52 3.14 0.00 -1.23 -4.70 105.19 109.72 1fjc n GLY 54 Ca -0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 2.86 -0.28 -0.61 -1.09 0.59 -0.43 121.20 120.24 1fjc s ILE 55 Ca 0.00 -1.92 -0.25 0.00 -2.23 0.00 0.00 60.65 56.25 1fjc s ILE 55 Cb 0.00 -2.43 0.09 0.00 -1.58 0.00 0.00 42.46 38.54 1fjc s ILE 55 CO 0.00 -0.19 0.85 0.00 -1.23 0.00 0.00 174.94 174.37 1fjc s ALA 56 N -1.90 -1.86 0.24 9.38 0.00 0.67 0.27 121.76 128.56 1fjc s ALA 56 Ca 0.25 1.97 -0.17 0.00 0.00 0.00 0.00 51.96 54.02 1fjc s ALA 56 Cb -0.08 -1.29 -0.08 0.00 0.00 0.00 0.00 23.12 21.67 1fjc s ALA 56 CO 0.14 -0.30 0.69 0.71 0.00 0.00 0.00 175.76 177.00 1fjc s TYR 57 N 0.33 3.54 -0.07 0.00 2.02 0.32 0.26 117.35 123.76 1fjc s TYR 57 Ca 0.01 1.25 -0.03 0.00 -0.37 0.00 0.00 57.07 57.93 1fjc s TYR 57 Cb -0.05 -2.53 0.04 0.00 -0.40 0.00 0.00 41.96 39.02 1fjc s TYR 57 CO -0.02 0.27 0.09 0.42 -1.57 0.00 0.00 175.55 174.75 1fjc s ILE 58 N -1.67 -0.15 -0.09 2.71 1.01 0.14 0.25 121.20 123.40 1fjc s ILE 58 Ca 0.46 0.34 0.03 0.00 0.00 0.00 0.00 60.65 61.48 1fjc s ILE 58 Cb -0.14 -0.24 -0.01 0.00 0.01 0.00 0.00 42.46 42.08 1fjc s ILE 58 CO 0.20 0.12 -0.19 -1.83 0.00 0.00 0.00 174.94 173.23 1fjc s GLU 59 N 2.20 2.98 0.50 2.79 -1.05 -0.31 0.17 118.70 125.99 1fjc s GLU 59 Ca 0.04 -0.80 0.07 0.00 -0.15 0.00 0.00 54.97 54.13 1fjc s GLU 59 Cb -0.12 -2.39 0.02 0.00 -0.44 0.00 0.00 34.13 31.20 1fjc s GLU 59 CO -0.05 0.29 0.43 -0.06 0.95 0.00 0.00 175.26 176.83 1fjc s PHE 60 N 0.09 2.00 0.46 4.83 0.40 0.69 0.35 117.98 126.79 1fjc s PHE 60 Ca -0.09 -0.70 0.32 0.00 -0.60 0.00 0.00 56.93 55.86 1fjc s PHE 60 Cb -0.15 -2.03 1.70 0.00 0.51 0.00 0.00 43.02 43.05 1fjc s PHE 60 CO 0.06 -0.40 2.15 -0.22 0.70 0.00 0.00 175.22 177.50 1fjc h LYS 61 N 0.81 0.00 0.00 0.44 3.64 -1.79 -3.41 116.57 116.26 1fjc h LYS 61 Ca -0.38 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.14 1fjc h LYS 61 Cb 1.29 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1fjc h LYS 61 CO 0.56 0.06 0.46 0.45 -2.27 0.00 0.00 179.45 178.71 1fjc n SER 62 N -3.49 -1.11 -0.17 4.20 2.88 -1.26 -4.98 113.62 109.68 1fjc n SER 62 Ca -0.02 -1.52 -0.09 0.00 -1.33 0.00 0.00 58.87 55.91 1fjc n SER 62 Cb 0.19 1.79 0.01 0.00 -0.75 0.00 0.00 64.21 65.44 1fjc n SER 62 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1fjc h GLU 63 N 0.00 0.81 -0.52 -1.46 4.22 -1.86 -0.73 114.58 115.04 1fjc h GLU 63 Ca -0.18 -0.21 -0.01 0.00 0.08 0.00 0.00 59.36 59.05 1fjc h GLU 63 Cb 0.82 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1fjc h GLU 63 CO 0.24 0.79 0.28 0.00 -2.18 0.00 0.00 179.01 178.15 1fjc h ALA 64 N 0.98 1.52 0.22 2.92 0.00 -1.96 1.75 119.26 124.69 1fjc h ALA 64 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1fjc h ALA 64 Cb 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1fjc h ALA 64 CO 0.01 0.40 -0.11 -0.44 0.00 0.00 0.00 179.25 179.11 1fjc h ASP 65 N 0.72 -0.25 0.11 0.00 3.32 -1.84 0.63 116.42 119.10 1fjc h ASP 65 Ca 0.19 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 1fjc h ASP 65 Cb 0.03 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1fjc h ASP 65 CO -0.03 0.23 -0.22 0.00 -1.72 0.00 0.00 179.24 177.50 1fjc h ALA 66 N -0.32 1.40 0.03 3.45 0.00 -0.91 -0.40 119.26 122.52 1fjc h ALA 66 Ca -0.03 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1fjc h ALA 66 Cb 0.51 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1fjc h ALA 66 CO 0.05 0.42 -0.44 1.49 0.00 0.00 0.00 179.25 180.77 1fjc h GLU 67 N 0.20 0.23 -0.63 0.00 4.57 0.27 0.10 114.58 119.32 1fjc h GLU 67 Ca 0.03 -0.30 -0.03 0.00 -1.18 0.00 0.00 59.36 57.89 1fjc h GLU 67 Cb 0.51 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 1fjc h GLU 67 CO 0.03 1.05 0.29 -0.22 -1.18 0.00 0.00 179.01 178.99 1fjc h LYS 68 N -0.45 0.92 -0.01 1.92 3.11 0.37 0.02 116.57 122.46 1fjc h LYS 68 Ca -0.06 -0.15 -0.02 0.00 -2.81 0.00 0.00 60.65 57.61 1fjc h LYS 68 Cb 1.23 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 1fjc h LYS 68 CO 0.08 0.75 -0.06 -0.91 -2.81 0.00 0.00 179.45 176.51 1fjc h ASN 69 N 0.88 0.07 -1.00 4.20 2.35 -1.15 0.40 115.58 121.31 1fjc h ASN 69 Ca 0.22 -0.72 0.13 0.00 -0.55 0.00 0.00 56.30 55.37 1fjc h ASN 69 Cb 0.15 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 38.41 1fjc h ASN 69 CO -0.02 0.78 0.63 0.25 -1.65 0.00 0.00 177.43 177.41 1fjc h LEU 70 N -0.64 0.91 0.19 1.61 6.46 -0.72 0.66 115.31 123.78 1fjc h LEU 70 Ca -0.01 0.05 -0.34 0.00 -0.12 0.00 0.00 57.88 57.46 1fjc h LEU 70 Cb 0.78 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 40.59 1fjc h LEU 70 CO 0.01 0.47 -1.66 -0.08 -0.62 0.00 0.00 178.44 176.57 1fjc h GLU 71 N 0.97 0.41 0.00 1.25 4.81 -1.02 -2.29 114.58 118.71 1fjc h GLU 71 Ca 0.50 -0.69 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1fjc h GLU 71 Cb 0.53 0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1fjc h GLU 71 CO -0.27 1.32 0.00 -1.91 -0.73 0.00 0.00 179.01 177.42 1fjc n GLU 72 N -3.60 0.03 0.00 1.92 2.13 0.14 -4.36 120.64 116.91 1fjc n GLU 72 Ca -0.22 0.10 -0.00 0.00 0.66 0.00 0.00 57.16 57.70 1fjc n GLU 72 Cb 1.08 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 31.29 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 -1.48 0.02 -1.09 5.31 4.76 0.23 -5.00 118.16 120.91 1fjc n LYS 73 Ca 0.06 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1fjc n LYS 73 Cb 0.26 -0.20 0.00 0.00 -1.84 0.00 0.00 35.03 33.25 1fjc n LYS 73 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1fjc n GLN 74 N -2.65 -0.25 0.00 1.97 1.13 -0.86 -2.91 117.38 113.81 1fjc n GLN 74 Ca -0.00 0.31 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 1fjc n GLN 74 Cb 0.02 -0.26 0.00 0.00 0.11 0.00 0.00 30.24 30.10 1fjc n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1fjc n GLY 75 N 1.15 2.21 1.93 1.08 0.00 -0.58 -4.82 105.19 106.16 1fjc n GLY 75 Ca 0.00 -0.71 -0.11 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 -0.27 -3.51 4.61 0.00 -1.14 -1.04 120.51 119.15 1fjc n ALA 76 Ca 0.00 0.16 -0.37 0.00 0.00 0.00 0.00 53.44 53.23 1fjc n ALA 76 Cb 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.89 -1.85 -4.29 0.00 4.71 -1.25 -4.93 120.64 111.14 1fjc n GLU 77 Ca -0.11 1.31 -0.18 0.00 -0.01 0.00 0.00 57.16 58.17 1fjc n GLU 77 Cb 0.40 -1.98 -0.09 0.00 -1.01 0.00 0.00 31.44 28.76 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 -1.62 0.11 -0.42 -3.67 1.01 0.78 -4.77 121.20 112.62 1fjc s ILE 78 Ca 0.33 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.98 1fjc s ILE 78 Cb -0.03 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.94 1fjc s ILE 78 CO 0.87 0.00 0.00 0.47 0.00 0.00 0.00 174.94 176.28 1fjc n ASP 79 N -1.09 -2.10 -0.94 3.58 9.92 -1.26 0.27 116.55 124.92 1fjc n ASP 79 Ca 0.04 0.36 -0.09 0.00 -0.53 0.00 0.00 54.79 54.57 1fjc n ASP 79 Cb 0.64 -1.89 -0.02 0.00 -0.64 0.00 0.00 41.12 39.21 1fjc n ASP 79 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fjc n GLY 80 N -0.59 0.35 0.00 0.44 0.00 -1.26 -4.83 105.19 99.30 1fjc n GLY 80 Ca -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1fjc n GLY 80 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1fjc n ARG 81 N -2.16 -1.43 -3.15 1.61 1.85 0.75 -5.12 116.66 109.01 1fjc n ARG 81 Ca -0.10 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.35 1fjc n ARG 81 Cb 0.49 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.85 1fjc n ARG 81 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1fjc s SER 82 N -3.43 6.73 0.55 2.89 1.04 -1.26 0.28 113.70 120.49 1fjc s SER 82 Ca 0.00 0.88 -0.19 0.00 0.48 0.00 0.00 55.95 57.12 1fjc s SER 82 Cb 0.00 -2.35 -0.06 0.00 0.10 0.00 0.00 66.02 63.72 1fjc s SER 82 CO 0.00 -0.20 1.14 0.54 0.98 0.00 0.00 173.24 175.70 1fjc s VAL 83 N 1.50 3.09 -0.10 5.02 0.11 -0.21 -4.67 120.40 125.14 1fjc s VAL 83 Ca 0.29 0.68 -0.14 0.00 -2.93 0.00 0.00 61.98 59.88 1fjc s VAL 83 Cb -0.16 -3.28 -0.05 0.00 -1.53 0.00 0.00 36.38 31.37 1fjc s VAL 83 CO 0.12 -0.14 0.35 -0.44 -3.33 0.00 0.00 175.10 171.65 1fjc s SER 84 N -1.74 6.59 -0.21 3.54 0.01 0.84 -1.53 113.70 121.19 1fjc s SER 84 Ca 0.73 0.69 -0.06 0.00 1.31 0.00 0.00 55.95 58.63 1fjc s SER 84 Cb -0.25 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 1fjc s SER 84 CO 0.28 0.18 0.03 -0.76 0.41 0.00 0.00 173.24 173.38 1fjc s LEU 85 N -0.10 3.41 -0.51 2.44 1.43 -1.26 0.13 118.68 124.23 1fjc s LEU 85 Ca 0.20 -0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1fjc s LEU 85 Cb -0.14 -1.88 0.13 0.00 0.03 0.00 0.00 46.19 44.33 1fjc s LEU 85 CO 0.08 0.05 0.29 -0.31 0.23 0.00 0.00 176.35 176.68 1fjc s TYR 86 N 1.10 3.45 0.00 0.29 1.51 0.73 -4.91 117.35 119.53 1fjc s TYR 86 Ca 0.03 -2.79 0.00 0.00 -1.01 0.00 0.00 57.07 53.31 1fjc s TYR 86 Cb -0.14 -3.08 0.00 0.00 -0.11 0.00 0.00 41.96 38.62 1fjc s TYR 86 CO 0.02 -0.87 0.00 0.98 -1.11 0.00 0.00 175.55 174.58 1fjc n TYR 87 N 3.78 -1.27 -2.32 2.71 4.19 -1.26 0.26 117.16 123.25 1fjc n TYR 87 Ca 0.04 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.21 1fjc n TYR 87 Cb 0.38 0.00 0.01 0.00 0.49 0.00 0.00 39.34 40.22 1fjc n TYR 87 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 1fjc n THR 88 N -2.52 0.09 0.65 2.97 5.66 -1.21 -4.24 114.28 115.68 1fjc n THR 88 Ca 0.00 -0.63 0.11 0.00 -3.05 0.00 0.00 64.05 60.48 1fjc n THR 88 Cb 0.00 0.77 0.13 0.00 -1.55 0.00 0.00 70.33 69.68 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 -0.45 1.08 2.64 1.09 0.00 -1.26 -4.44 105.19 103.85 1fjc n GLY 89 Ca -0.18 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 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 1.25 -3.05 -0.00 1.61 -0.58 -1.26 -4.81 120.64 113.79 1fjc n GLU 90 Ca 0.14 0.89 -0.01 0.00 -0.42 0.00 0.00 57.16 57.77 1fjc n GLU 90 Cb 0.54 -5.53 -0.00 0.00 -0.57 0.00 0.00 31.44 25.88 1fjc n GLU 90 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1fjc n LYS 91 N -3.32 0.03 -0.89 3.49 0.00 -1.26 -5.04 118.16 111.18 1fjc n LYS 91 Ca -0.17 0.01 -0.36 0.00 0.00 0.00 0.00 58.31 57.80 1fjc n LYS 91 Cb 0.64 -0.31 0.08 0.00 0.00 0.00 0.00 35.03 35.45 1fjc n LYS 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fjc n GLY 92 N 2.69 -3.07 0.00 3.14 0.00 -1.26 -4.98 105.19 101.71 1fjc n GLY 92 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 2.91 0.31 3.75 -0.02 0.00 -1.26 -5.05 105.19 105.82 1fjc n GLY 93 Ca -0.00 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.94 -0.66 2.61 -1.04 -1.26 -4.53 114.28 105.46 1fjc n THR 94 Ca 0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1fjc n THR 94 Cb 0.00 -3.27 0.00 0.00 -1.82 0.00 0.00 70.33 65.24 1fjc n THR 94 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1fjc n ARG 95 N -2.74 0.00 -0.85 -2.82 5.12 -1.26 -5.29 116.66 108.81 1fjc n ARG 95 Ca -0.28 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.64 1fjc n ARG 95 Cb 0.67 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.97 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11