#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 3.63 -0.61 1.43 8.25 -1.26 -4.96 115.22 121.71 1fjc n HIS 2 Ca 0.00 -3.61 0.00 0.00 -0.26 0.00 0.00 57.72 53.85 1fjc n HIS 2 Cb 0.00 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 29.96 1fjc n HIS 2 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fjc n MET 3 N 1.75 -0.18 -3.96 -0.41 0.00 -1.26 -4.89 117.12 108.17 1fjc n MET 3 Ca 0.25 0.19 -0.30 0.00 0.00 0.00 0.00 57.70 57.84 1fjc n MET 3 Cb 0.37 -0.14 -0.14 0.00 0.00 0.00 0.00 33.22 33.30 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 -0.04 4.34 -0.17 3.17 2.96 -1.26 -5.08 118.68 122.61 1fjc s LEU 4 Ca 0.00 -2.57 -0.28 0.00 -0.22 0.00 0.00 54.13 51.06 1fjc s LEU 4 Cb 0.00 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 1fjc s LEU 4 CO 0.00 -0.30 0.94 -1.61 -1.32 0.00 0.00 176.35 174.05 1fjc s GLU 5 N 0.33 4.33 0.24 1.98 8.01 -1.26 -4.99 118.70 127.34 1fjc s GLU 5 Ca 0.14 1.22 -0.18 0.00 0.01 0.00 0.00 54.97 56.16 1fjc s GLU 5 Cb -0.23 -3.58 0.07 0.00 -4.31 0.00 0.00 34.13 26.08 1fjc s GLU 5 CO -0.04 -0.40 0.91 -0.25 0.01 0.00 0.00 175.26 175.48 1fjc n ASP 6 N 5.44 -1.83 -3.53 -0.19 8.00 -1.26 -5.17 116.55 118.01 1fjc n ASP 6 Ca 0.08 -2.08 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1fjc n ASP 6 Cb 0.48 3.01 0.00 0.00 -0.02 0.00 0.00 41.12 44.59 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 -0.63 2.01 -0.21 -0.24 -0.04 -1.26 -4.81 135.00 129.82 1fjc n PRO 7 Ca -0.04 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1fjc n PRO 7 Cb 0.56 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.09 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 -5.41 0.00 -0.60 0.00 -1.04 -1.26 -4.81 114.28 101.16 1fjc n THR 9 Ca 0.08 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.99 1fjc n THR 9 Cb 0.33 -0.95 -0.08 0.00 -1.82 0.00 0.00 70.33 67.81 1fjc n THR 9 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1fjc n SER 10 N -0.95 3.32 -0.00 8.00 3.41 -1.26 -4.00 113.62 122.14 1fjc n SER 10 Ca 0.00 -2.10 -0.01 0.00 -0.26 0.00 0.00 58.87 56.50 1fjc n SER 10 Cb 0.47 -0.86 -0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1fjc n SER 10 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1fjc n LYS 11 N 2.95 0.05 0.00 4.33 4.81 -1.26 -4.58 118.16 124.46 1fjc n LYS 11 Ca 0.28 0.02 0.14 0.00 -0.87 0.00 0.00 58.31 57.88 1fjc n LYS 11 Cb 0.46 -0.35 0.85 0.00 0.02 0.00 0.00 35.03 36.01 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 -2.85 0.89 0.08 1.64 2.85 -1.26 -2.78 118.16 116.74 1fjc n LYS 12 Ca -0.01 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.20 1fjc n LYS 12 Cb 0.05 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 32.88 1fjc n LYS 12 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1fjc h VAL 13 N 0.00 1.55 -0.95 0.58 2.07 -1.82 -3.22 116.25 114.46 1fjc h VAL 13 Ca 0.00 -3.04 0.08 0.00 0.82 0.00 0.00 66.70 64.56 1fjc h VAL 13 Cb 0.00 2.67 -0.07 0.00 -1.52 0.00 0.00 31.29 32.37 1fjc h VAL 13 CO 0.00 0.85 0.60 0.03 0.02 0.00 0.00 177.57 179.07 1fjc h ARG 14 N 0.00 1.01 -0.93 1.57 -0.00 -1.77 0.16 114.38 114.43 1fjc h ARG 14 Ca -0.01 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.98 59.26 1fjc h ARG 14 Cb 1.60 -0.23 -0.09 0.00 0.00 0.00 0.00 29.97 31.25 1fjc h ARG 14 CO 0.11 0.67 0.20 0.00 0.00 0.00 0.00 179.97 180.95 1fjc n ALA 15 N -2.36 3.68 0.00 0.04 0.00 -1.21 -3.75 120.51 116.90 1fjc n ALA 15 Ca 0.16 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1fjc n ALA 15 Cb 0.24 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1fjc n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjc n ALA 16 N -0.07 1.86 1.64 0.00 0.00 0.53 -3.53 120.51 120.94 1fjc n ALA 16 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.79 1fjc n ALA 16 Cb 0.93 0.12 0.59 0.00 0.00 0.00 0.00 19.45 21.09 1fjc n ALA 16 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1fjc n ARG 17 N -1.62 1.40 -4.33 0.00 1.85 -1.07 -3.83 116.66 109.06 1fjc n ARG 17 Ca 0.00 -0.59 -0.29 0.00 -1.00 0.00 0.00 57.85 55.97 1fjc n ARG 17 Cb 0.24 -1.42 -0.12 0.00 -1.05 0.00 0.00 32.46 30.11 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 -1.94 2.66 0.18 8.89 2.01 -1.26 0.20 115.64 126.38 1fjc s THR 18 Ca 0.37 -1.62 -0.09 0.00 0.31 0.00 0.00 61.69 60.66 1fjc s THR 18 Cb 0.19 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 1fjc s THR 18 CO 0.30 0.07 0.30 -1.48 -0.69 0.00 0.00 174.62 173.13 1fjc s LEU 19 N -2.19 0.86 -0.27 4.42 2.34 0.23 -3.56 118.68 120.52 1fjc s LEU 19 Ca 0.17 -0.94 -0.06 0.00 0.06 0.00 0.00 54.13 53.35 1fjc s LEU 19 Cb -0.10 1.21 -0.01 0.00 -0.56 0.00 0.00 46.19 46.73 1fjc s LEU 19 CO 0.09 -0.94 0.06 -0.22 -1.06 0.00 0.00 176.35 174.28 1fjc s LEU 20 N -3.00 3.55 0.30 1.48 1.98 0.82 -0.02 118.68 123.80 1fjc s LEU 20 Ca 0.21 -0.49 -0.28 0.00 -2.89 0.00 0.00 54.13 50.67 1fjc s LEU 20 Cb 0.03 -1.87 -0.09 0.00 0.66 0.00 0.00 46.19 44.92 1fjc s LEU 20 CO 0.03 -0.11 1.07 0.00 -1.89 0.00 0.00 176.35 175.45 1fjc s ALA 21 N 1.53 3.32 0.35 5.97 0.00 0.74 0.26 121.76 133.93 1fjc s ALA 21 Ca 0.04 0.81 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1fjc s ALA 21 Cb -0.16 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 1fjc s ALA 21 CO 0.02 -0.13 0.39 1.63 0.00 0.00 0.00 175.76 177.67 1fjc n LYS 22 N 0.92 0.56 -1.22 0.00 5.02 0.55 -0.36 118.16 123.63 1fjc n LYS 22 Ca 0.00 -3.16 -0.09 0.00 -2.02 0.00 0.00 58.31 53.05 1fjc n LYS 22 Cb 0.46 2.79 -0.04 0.00 -0.02 0.00 0.00 35.03 38.22 1fjc n LYS 22 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1fjc n ASN 23 N -1.64 -5.33 -3.76 4.39 5.15 -1.07 -0.57 115.26 112.43 1fjc n ASN 23 Ca 0.05 0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 1fjc n ASN 23 Cb 0.61 -3.85 0.00 0.00 -0.53 0.00 0.00 39.78 36.01 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 -1.05 0.00 -4.22 1.20 4.77 -0.33 -4.67 117.00 112.70 1fjc n LEU 24 Ca -0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.76 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 0.14 -0.32 -0.28 -0.44 -1.33 0.00 0.00 177.39 175.15 1fjc s SER 25 N -1.76 0.68 0.00 -1.43 0.01 -1.26 -4.74 113.70 105.19 1fjc s SER 25 Ca 0.00 -1.29 0.17 0.00 1.31 0.00 0.00 55.95 56.14 1fjc s SER 25 Cb 0.00 0.25 0.84 0.00 0.21 0.00 0.00 66.02 67.31 1fjc s SER 25 CO 0.00 -0.72 1.52 0.49 0.41 0.00 0.00 173.24 174.94 1fjc n PHE 26 N -0.26 0.00 -0.13 2.43 3.01 -1.26 -3.46 117.46 117.79 1fjc n PHE 26 Ca -0.02 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.17 1fjc n PHE 26 Cb 0.65 -0.34 -0.09 0.00 -0.01 0.00 0.00 39.48 39.68 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 -1.34 1.85 -4.26 4.37 5.15 -1.26 -4.99 115.26 114.78 1fjc n ASN 27 Ca 0.07 0.27 -0.34 0.00 -0.60 0.00 0.00 54.58 53.98 1fjc n ASN 27 Cb 0.15 -0.72 0.11 0.00 -0.53 0.00 0.00 39.78 38.79 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 -4.06 0.00 -3.35 -1.44 3.06 -1.22 -5.01 119.36 107.34 1fjc n ILE 28 Ca -0.50 -0.26 -0.04 0.00 -2.50 0.00 0.00 62.75 59.45 1fjc n ILE 28 Cb 0.87 -0.43 0.01 0.00 0.54 0.00 0.00 39.64 40.63 1fjc n ILE 28 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1fjc n THR 29 N -3.55 0.00 -0.20 9.51 -2.24 -1.26 -4.85 114.28 111.68 1fjc n THR 29 Ca 0.03 -0.43 0.19 0.00 -2.27 0.00 0.00 64.05 61.57 1fjc n THR 29 Cb 0.58 0.41 0.53 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.35 0.02 -0.78 4.22 -1.93 0.08 114.58 116.54 1fjc h GLU 30 Ca -0.14 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.30 1fjc h GLU 30 Cb 0.51 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1fjc h GLU 30 CO 0.17 0.23 -0.14 -0.44 -2.18 0.00 0.00 179.01 176.66 1fjc h ASP 31 N 0.36 -0.39 -0.05 1.04 5.19 -1.97 2.09 116.42 122.69 1fjc h ASP 31 Ca 0.43 0.06 -0.10 0.00 -0.62 0.00 0.00 57.03 56.79 1fjc h ASP 31 Cb 1.10 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 1fjc h ASP 31 CO -0.14 -0.19 -0.27 -0.33 -3.12 0.00 0.00 179.24 175.19 1fjc h GLU 32 N -0.24 0.49 -0.13 3.56 3.07 -1.52 0.43 114.58 120.24 1fjc h GLU 32 Ca 0.04 -0.19 -0.15 0.00 -0.50 0.00 0.00 59.36 58.57 1fjc h GLU 32 Cb 0.29 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1fjc h GLU 32 CO -0.12 0.71 -0.54 -0.07 -1.40 0.00 0.00 179.01 177.59 1fjc h LEU 33 N 0.43 0.43 -0.24 1.33 3.38 -0.24 0.13 115.31 120.53 1fjc h LEU 33 Ca 0.06 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1fjc h LEU 33 Cb 0.69 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1fjc h LEU 33 CO 0.05 0.89 -0.41 0.50 0.09 0.00 0.00 178.44 179.56 1fjc h LYS 34 N 0.30 0.00 0.06 1.13 1.63 0.39 0.11 116.57 120.19 1fjc h LYS 34 Ca 0.01 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.56 1fjc h LYS 34 Cb 1.05 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.67 1fjc h LYS 34 CO 0.09 0.41 -1.12 1.49 -3.45 0.00 0.00 179.45 176.87 1fjc h GLU 35 N 0.00 0.13 0.18 1.90 4.57 0.28 -0.95 114.58 120.69 1fjc h GLU 35 Ca -0.00 -0.22 -0.32 0.00 -1.18 0.00 0.00 59.36 57.64 1fjc h GLU 35 Cb 1.22 0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.91 1fjc h GLU 35 CO 0.05 1.10 -1.56 0.28 -1.18 0.00 0.00 179.01 177.70 1fjc h VAL 36 N 0.03 1.07 -0.90 0.32 2.07 -0.69 -3.34 116.25 114.81 1fjc h VAL 36 Ca -0.07 -2.53 -0.57 0.00 0.82 0.00 0.00 66.70 64.35 1fjc h VAL 36 Cb 1.87 2.85 -0.29 0.00 -1.52 0.00 0.00 31.29 34.19 1fjc h VAL 36 CO 0.16 0.81 0.53 0.49 0.02 0.00 0.00 177.57 179.58 1fjc n PHE 37 N -3.73 2.91 0.30 1.57 3.72 0.36 -4.67 117.46 117.93 1fjc n PHE 37 Ca -0.22 -2.46 0.13 0.00 -0.05 0.00 0.00 57.45 54.85 1fjc n PHE 37 Cb 1.03 -1.09 0.70 0.00 -0.94 0.00 0.00 39.48 39.18 1fjc n PHE 37 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1fjc h GLU 38 N 1.62 0.00 -0.00 -1.08 4.81 -1.29 0.79 114.58 119.43 1fjc h GLU 38 Ca 0.55 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.78 1fjc h GLU 38 Cb 1.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.96 1fjc h GLU 38 CO 1.24 0.00 -0.12 -3.47 -0.73 0.00 0.00 179.01 175.92 1fjc n ASP 39 N -2.71 0.57 -2.61 1.04 -0.08 -1.26 -4.87 116.55 106.62 1fjc n ASP 39 Ca -0.02 -0.65 -0.07 0.00 -1.51 0.00 0.00 54.79 52.54 1fjc n ASP 39 Cb 0.39 -0.04 0.04 0.00 2.34 0.00 0.00 41.12 43.85 1fjc n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fjc n ALA 40 N -0.88 -0.16 -0.11 -1.67 0.00 0.28 -4.18 120.51 113.78 1fjc n ALA 40 Ca 0.14 -0.51 -0.24 0.00 0.00 0.00 0.00 53.44 52.84 1fjc n ALA 40 Cb 0.29 0.04 -0.11 0.00 0.00 0.00 0.00 19.45 19.66 1fjc n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fjc n LEU 41 N 0.00 2.35 -3.71 0.00 4.77 0.22 -4.68 117.00 115.94 1fjc n LEU 41 Ca 0.05 0.18 -0.09 0.00 -0.03 0.00 0.00 56.01 56.12 1fjc n LEU 41 Cb 0.16 -0.90 -0.02 0.00 -2.33 0.00 0.00 43.42 40.32 1fjc n LEU 41 CO 0.11 0.68 0.40 -1.61 -1.33 0.00 0.00 177.39 175.65 1fjc s GLU 42 N -2.50 1.56 0.00 3.23 2.02 -0.94 -5.02 118.70 117.06 1fjc s GLU 42 Ca -0.34 -0.83 -0.02 0.00 0.02 0.00 0.00 54.97 53.80 1fjc s GLU 42 Cb 0.11 0.58 -0.01 0.00 0.10 0.00 0.00 34.13 34.91 1fjc s GLU 42 CO 0.57 -0.70 0.03 0.42 0.02 0.00 0.00 175.26 175.61 1fjc s ILE 43 N -3.87 0.06 0.24 -1.63 1.01 -1.26 -0.99 121.20 114.77 1fjc s ILE 43 Ca 0.08 -0.52 0.09 0.00 0.00 0.00 0.00 60.65 60.30 1fjc s ILE 43 Cb -0.03 -0.22 -0.05 0.00 0.01 0.00 0.00 42.46 42.16 1fjc s ILE 43 CO -0.00 -0.29 -0.14 -0.13 0.00 0.00 0.00 174.94 174.37 1fjc s ARG 44 N -0.88 1.47 0.29 2.79 1.81 0.70 -4.90 118.95 120.23 1fjc s ARG 44 Ca -0.10 -1.68 0.06 0.00 -1.72 0.00 0.00 55.73 52.30 1fjc s ARG 44 Cb -0.06 -1.31 -0.03 0.00 -0.45 0.00 0.00 34.95 33.10 1fjc s ARG 44 CO -0.00 0.20 0.33 -1.17 -0.68 0.00 0.00 175.30 173.98 1fjc s LEU 45 N -3.40 3.95 -0.21 2.53 1.98 -1.26 0.13 118.68 122.40 1fjc s LEU 45 Ca 0.26 -0.19 -0.12 0.00 -2.89 0.00 0.00 54.13 51.19 1fjc s LEU 45 Cb -0.01 -2.57 0.07 0.00 0.66 0.00 0.00 46.19 44.34 1fjc s LEU 45 CO 0.10 -0.21 0.52 -0.69 -1.89 0.00 0.00 176.35 174.18 1fjc s VAL 46 N -2.14 -0.05 0.00 1.68 1.01 0.79 -4.53 120.40 117.17 1fjc s VAL 46 Ca 0.38 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1fjc s VAL 46 Cb -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1fjc s VAL 46 CO 0.28 0.02 0.00 -1.54 0.00 0.00 0.00 175.10 173.86 1fjc n SER 47 N 4.34 0.82 -2.99 3.32 3.41 -1.26 -0.33 113.62 120.93 1fjc n SER 47 Ca -0.21 -0.47 -0.15 0.00 -0.26 0.00 0.00 58.87 57.78 1fjc n SER 47 Cb 0.56 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.87 -0.30 4.33 7.27 0.58 -4.71 117.38 123.68 1fjc n GLN 48 Ca 0.00 -1.04 0.34 0.00 0.07 0.00 0.00 57.00 56.36 1fjc n GLN 48 Cb 0.00 -0.73 0.60 0.00 2.41 0.00 0.00 30.24 32.52 1fjc n GLN 48 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1fjc h ASP 49 N -1.04 0.00 0.00 1.69 3.32 -2.01 -3.20 116.42 115.17 1fjc h ASP 49 Ca -0.22 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.71 1fjc h ASP 49 Cb 0.62 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.06 1fjc h ASP 49 CO 0.15 0.00 0.05 0.61 -1.72 0.00 0.00 179.24 178.33 1fjc n GLY 50 N -1.74 -0.78 3.29 2.75 0.00 -1.26 -5.13 105.19 102.32 1fjc n GLY 50 Ca 0.26 0.35 0.03 0.00 0.00 0.00 0.00 46.02 46.66 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 0.07 0.18 -0.10 1.61 -0.14 -1.21 -5.12 119.74 115.03 1fjc s LYS 51 Ca 0.14 0.44 -0.35 0.00 -1.36 0.00 0.00 55.97 54.84 1fjc s LYS 51 Cb 0.21 0.27 -0.17 0.00 -1.68 0.00 0.00 37.83 36.46 1fjc s LYS 51 CO -0.10 -0.08 1.00 0.45 -0.76 0.00 0.00 175.35 175.86 1fjc n SER 52 N 4.87 0.25 -0.00 2.83 2.88 -1.26 -0.31 113.62 122.87 1fjc n SER 52 Ca -0.08 0.97 0.02 0.00 -1.33 0.00 0.00 58.87 58.46 1fjc n SER 52 Cb 0.54 -0.76 -0.03 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 1.77 2.43 -0.15 -1.46 4.81 -1.26 -4.62 118.16 119.69 1fjc n LYS 53 Ca 0.19 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1fjc n LYS 53 Cb 0.04 -0.95 0.00 0.00 0.02 0.00 0.00 35.03 34.14 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 1.75 1.65 3.57 3.14 0.00 -1.24 -4.71 105.19 109.35 1fjc n GLY 54 Ca -0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 3.09 -0.21 -0.61 1.01 0.55 -1.19 121.20 121.84 1fjc s ILE 55 Ca 0.00 -2.01 -0.27 0.00 0.00 0.00 0.00 60.65 58.37 1fjc s ILE 55 Cb 0.00 -2.62 0.11 0.00 0.01 0.00 0.00 42.46 39.96 1fjc s ILE 55 CO 0.00 -0.33 0.92 0.00 0.00 0.00 0.00 174.94 175.53 1fjc s ALA 56 N -2.24 -1.90 0.16 9.38 0.00 0.51 0.28 121.76 127.94 1fjc s ALA 56 Ca 0.29 1.75 -0.17 0.00 0.00 0.00 0.00 51.96 53.83 1fjc s ALA 56 Cb -0.06 -0.99 -0.07 0.00 0.00 0.00 0.00 23.12 21.99 1fjc s ALA 56 CO 0.17 -0.29 0.62 0.71 0.00 0.00 0.00 175.76 176.97 1fjc s TYR 57 N -0.30 3.67 -0.09 0.00 2.02 0.35 0.26 117.35 123.26 1fjc s TYR 57 Ca -0.01 1.23 -0.03 0.00 -0.37 0.00 0.00 57.07 57.90 1fjc s TYR 57 Cb -0.03 -2.49 0.04 0.00 -0.40 0.00 0.00 41.96 39.07 1fjc s TYR 57 CO -0.01 0.43 0.06 0.42 -1.57 0.00 0.00 175.55 174.88 1fjc s ILE 58 N -1.41 0.00 -0.23 2.71 1.01 0.97 0.25 121.20 124.51 1fjc s ILE 58 Ca 0.38 0.18 -0.06 0.00 0.00 0.00 0.00 60.65 61.16 1fjc s ILE 58 Cb -0.17 -0.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 1fjc s ILE 58 CO 0.20 0.06 0.01 -1.61 0.00 0.00 0.00 174.94 173.60 1fjc s GLU 59 N 2.12 3.53 0.52 2.79 2.02 -0.16 0.75 118.70 130.27 1fjc s GLU 59 Ca 0.04 -0.55 0.08 0.00 0.02 0.00 0.00 54.97 54.57 1fjc s GLU 59 Cb -0.13 -3.16 0.06 0.00 0.10 0.00 0.00 34.13 30.99 1fjc s GLU 59 CO -0.05 -0.18 0.72 -0.06 0.02 0.00 0.00 175.26 175.71 1fjc s PHE 60 N 1.50 1.96 -1.16 1.61 0.40 0.53 0.68 117.98 123.50 1fjc s PHE 60 Ca 0.06 -0.57 0.13 0.00 -0.60 0.00 0.00 56.93 55.94 1fjc s PHE 60 Cb -0.15 -2.31 0.60 0.00 0.51 0.00 0.00 43.02 41.67 1fjc s PHE 60 CO 0.00 -0.90 1.39 1.17 0.70 0.00 0.00 175.22 177.58 1fjc n LYS 61 N -2.13 0.07 0.00 0.44 4.81 -1.26 -4.50 118.16 115.59 1fjc n LYS 61 Ca 0.13 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1fjc n LYS 61 Cb 0.61 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.16 1fjc n LYS 61 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1fjc n SER 62 N -1.42 0.00 -0.18 3.14 3.41 -1.26 -4.94 113.62 112.36 1fjc n SER 62 Ca 0.04 0.00 0.21 0.00 -0.26 0.00 0.00 58.87 58.86 1fjc n SER 62 Cb 0.13 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.67 1fjc n SER 62 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1fjc h GLU 63 N 0.00 0.26 -0.44 4.33 4.81 -1.83 0.83 114.58 122.54 1fjc h GLU 63 Ca 0.00 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1fjc h GLU 63 Cb 0.00 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1fjc h GLU 63 CO 0.00 0.17 0.10 0.00 -0.73 0.00 0.00 179.01 178.55 1fjc h ALA 64 N 1.62 0.59 0.11 2.92 0.00 -1.94 1.50 119.26 124.06 1fjc h ALA 64 Ca 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1fjc h ALA 64 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1fjc h ALA 64 CO -0.11 0.28 -0.05 -0.44 0.00 0.00 0.00 179.25 178.94 1fjc h ASP 65 N 0.59 -0.12 -0.63 0.00 5.19 -1.27 1.19 116.42 121.37 1fjc h ASP 65 Ca 0.14 -0.30 -0.04 0.00 -0.62 0.00 0.00 57.03 56.22 1fjc h ASP 65 Cb 0.34 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.85 1fjc h ASP 65 CO 0.00 0.24 0.27 0.00 -3.12 0.00 0.00 179.24 176.63 1fjc h ALA 66 N 0.34 1.23 -0.11 3.45 0.00 -1.04 -0.26 119.26 122.87 1fjc h ALA 66 Ca -0.01 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.52 1fjc h ALA 66 Cb 0.41 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1fjc h ALA 66 CO 0.02 0.56 -0.75 1.49 0.00 0.00 0.00 179.25 180.57 1fjc h GLU 67 N 0.94 0.70 -0.91 0.00 4.22 0.23 -0.37 114.58 119.39 1fjc h GLU 67 Ca 0.22 -0.61 -0.01 0.00 0.08 0.00 0.00 59.36 59.04 1fjc h GLU 67 Cb 0.18 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1fjc h GLU 67 CO -0.02 1.22 0.52 -0.22 -2.18 0.00 0.00 179.01 178.33 1fjc h LYS 68 N 0.39 1.26 -0.03 1.92 3.11 0.18 -0.48 116.57 122.91 1fjc h LYS 68 Ca -0.06 -0.13 -0.02 0.00 -2.81 0.00 0.00 60.65 57.62 1fjc h LYS 68 Cb 1.40 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 32.37 1fjc h LYS 68 CO 0.15 0.90 -0.08 -0.91 -2.81 0.00 0.00 179.45 176.71 1fjc h ASN 69 N 1.27 0.11 -0.66 4.20 2.35 -1.03 0.80 115.58 122.61 1fjc h ASN 69 Ca 0.32 -0.61 0.11 0.00 -0.55 0.00 0.00 56.30 55.57 1fjc h ASN 69 Cb -0.00 -0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.25 1fjc h ASN 69 CO -0.06 0.70 0.24 0.25 -1.65 0.00 0.00 177.43 176.92 1fjc h LEU 70 N -0.47 0.22 0.20 1.61 6.46 -0.85 -0.63 115.31 121.85 1fjc h LEU 70 Ca -0.00 0.09 -0.31 0.00 -0.12 0.00 0.00 57.88 57.54 1fjc h LEU 70 Cb 0.69 0.08 0.02 0.00 -0.73 0.00 0.00 40.66 40.73 1fjc h LEU 70 CO 0.02 0.11 -1.39 1.05 -0.62 0.00 0.00 178.44 177.61 1fjc h GLU 71 N 0.41 0.43 -0.31 1.25 4.11 -1.10 0.86 114.58 120.22 1fjc h GLU 71 Ca 0.35 -0.73 0.07 0.00 0.07 0.00 0.00 59.36 59.12 1fjc h GLU 71 Cb 0.48 0.27 -0.07 0.00 0.50 0.00 0.00 28.75 29.93 1fjc h GLU 71 CO -0.35 1.35 -0.17 1.49 0.07 0.00 0.00 179.01 181.40 1fjc h GLU 72 N 0.12 -0.12 -0.00 1.06 4.81 0.15 -3.37 114.58 117.22 1fjc h GLU 72 Ca -0.21 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 58.89 1fjc h GLU 72 Cb 2.09 0.03 -0.20 0.00 0.63 0.00 0.00 28.75 31.30 1fjc h GLU 72 CO 0.25 -0.08 -0.49 1.63 -0.73 0.00 0.00 179.01 179.58 1fjc n LYS 73 N -5.34 0.02 0.00 1.92 4.76 -0.32 -5.04 118.16 114.16 1fjc n LYS 73 Ca 0.01 -1.27 0.00 0.00 -2.87 0.00 0.00 58.31 54.17 1fjc n LYS 73 Cb 0.25 0.36 0.00 0.00 -1.84 0.00 0.00 35.03 33.80 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 0.12 0.00 -0.69 1.97 1.13 0.30 0.25 117.38 120.45 1fjc n GLN 74 Ca -0.19 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 54.92 1fjc n GLN 74 Cb 0.82 0.00 0.19 0.00 0.11 0.00 0.00 30.24 31.36 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 0.00 4.93 2.01 1.08 0.00 0.35 -4.45 105.19 109.11 1fjc n GLY 75 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.01 -1.74 -1.55 4.61 0.00 0.68 -0.71 120.51 120.80 1fjc n ALA 76 Ca 0.19 0.37 -0.18 0.00 0.00 0.00 0.00 53.44 53.82 1fjc n ALA 76 Cb 0.73 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 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 1.87 0.50 -4.20 0.00 2.13 -1.26 -2.92 120.64 116.76 1fjc n GLU 77 Ca 0.00 -0.60 -0.22 0.00 0.66 0.00 0.00 57.16 57.00 1fjc n GLU 77 Cb 0.00 -3.17 -0.07 0.00 0.27 0.00 0.00 31.44 28.48 1fjc n GLU 77 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1fjc n ILE 78 N 8.14 0.00 -2.26 6.31 5.41 0.70 -4.64 119.36 133.01 1fjc n ILE 78 Ca 0.50 -2.24 -0.04 0.00 1.00 0.00 0.00 62.75 61.98 1fjc n ILE 78 Cb 0.38 0.89 -0.00 0.00 -0.71 0.00 0.00 39.64 40.20 1fjc n ILE 78 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1fjc n ASP 79 N -1.62 -1.72 -0.10 4.38 5.68 -1.26 0.26 116.55 122.16 1fjc n ASP 79 Ca -0.02 0.36 -0.01 0.00 -0.50 0.00 0.00 54.79 54.62 1fjc n ASP 79 Cb 0.57 -1.62 -0.00 0.00 -1.14 0.00 0.00 41.12 38.92 1fjc n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fjc n GLY 80 N -0.51 0.39 0.00 6.12 0.00 -1.26 -4.99 105.19 104.94 1fjc n GLY 80 Ca -0.04 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.01 0.00 -2.32 1.61 1.85 0.72 -5.12 116.66 111.39 1fjc n ARG 81 Ca -0.01 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.42 1fjc n ARG 81 Cb 0.28 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.66 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 0.00 6.98 0.81 2.89 1.04 -1.26 -0.22 113.70 123.95 1fjc s SER 82 Ca 0.00 2.16 -0.12 0.00 0.48 0.00 0.00 55.95 58.47 1fjc s SER 82 Cb 0.00 -2.59 0.08 0.00 0.10 0.00 0.00 66.02 63.62 1fjc s SER 82 CO 0.00 -0.52 1.15 -0.69 0.98 0.00 0.00 173.24 174.16 1fjc s VAL 83 N 0.90 2.49 -0.18 5.02 1.01 0.11 -4.57 120.40 125.18 1fjc s VAL 83 Ca 0.60 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.68 1fjc s VAL 83 Cb -0.33 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1fjc s VAL 83 CO 0.31 -0.18 0.10 -0.44 0.00 0.00 0.00 175.10 174.89 1fjc s SER 84 N -2.63 5.98 -0.23 3.32 0.01 0.27 0.13 113.70 120.56 1fjc s SER 84 Ca 0.68 0.20 -0.11 0.00 1.31 0.00 0.00 55.95 58.02 1fjc s SER 84 Cb -0.23 -2.02 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 1fjc s SER 84 CO 0.53 0.21 0.20 -0.76 0.41 0.00 0.00 173.24 173.83 1fjc s LEU 85 N 0.16 4.14 -0.44 2.44 1.43 -1.26 0.21 118.68 125.36 1fjc s LEU 85 Ca 0.07 0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.30 1fjc s LEU 85 Cb -0.12 -2.18 0.10 0.00 0.03 0.00 0.00 46.19 44.03 1fjc s LEU 85 CO -0.00 0.05 0.27 -0.31 0.23 0.00 0.00 176.35 176.59 1fjc s TYR 86 N 1.01 3.45 0.29 0.29 1.51 0.73 -4.86 117.35 119.76 1fjc s TYR 86 Ca 0.10 -1.94 -0.04 0.00 -1.01 0.00 0.00 57.07 54.18 1fjc s TYR 86 Cb -0.13 -3.25 0.06 0.00 -0.11 0.00 0.00 41.96 38.53 1fjc s TYR 86 CO 0.04 -0.95 0.14 0.98 -1.11 0.00 0.00 175.55 174.65 1fjc n TYR 87 N 4.81 -1.60 0.00 2.71 9.36 -1.26 0.29 117.16 131.47 1fjc n TYR 87 Ca -0.07 -0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.10 1fjc n TYR 87 Cb 0.41 -0.35 0.00 0.00 -0.63 0.00 0.00 39.34 38.77 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 -3.15 0.00 0.20 2.97 -2.24 -1.23 -4.23 114.28 106.60 1fjc n THR 88 Ca 0.02 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.84 1fjc n THR 88 Cb 0.09 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.52 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 5.00 -0.75 0.18 3.38 0.00 -1.23 0.05 105.19 111.82 1fjc n GLY 89 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1fjc n GLY 89 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1fjc h GLU 90 N 0.00 0.44 0.00 1.61 4.22 -1.89 -3.37 114.58 115.59 1fjc h GLU 90 Ca 0.00 -0.35 -0.04 0.00 0.08 0.00 0.00 59.36 59.05 1fjc h GLU 90 Cb 0.10 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1fjc h GLU 90 CO 0.00 0.99 -1.19 1.17 -2.18 0.00 0.00 179.01 177.80 1fjc n LYS 91 N -3.86 2.43 -0.89 1.92 4.81 -0.82 -5.05 118.16 116.70 1fjc n LYS 91 Ca -0.04 -0.01 -0.36 0.00 -0.87 0.00 0.00 58.31 57.03 1fjc n LYS 91 Cb 0.70 -1.08 0.08 0.00 0.02 0.00 0.00 35.03 34.75 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 2.66 -3.09 0.00 3.14 0.00 0.11 -4.99 105.19 103.02 1fjc n GLY 92 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 2.87 1.34 0.70 -0.02 0.00 -1.26 -4.95 105.19 103.87 1fjc n GLY 93 Ca -0.00 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 1fjc n GLY 93 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1fjc n THR 94 N 0.00 0.51 0.00 2.61 -1.04 -1.26 -5.02 114.28 110.08 1fjc n THR 94 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1fjc n THR 94 Cb 0.00 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 66.90 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 -3.40 0.00 0.00 -2.82 1.74 -1.26 -5.28 116.66 105.63 1fjc n ARG 95 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1fjc n ARG 95 Cb 0.63 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.07 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52