#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 0.96 -3.64 1.43 -0.00 -1.26 -4.95 115.22 107.76 1fjc n HIS 2 Ca 0.00 -0.50 -0.21 0.00 -0.00 0.00 0.00 57.72 57.01 1fjc n HIS 2 Cb 0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 29.99 29.95 1fjc n HIS 2 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1fjc s MET 3 N -1.02 2.71 0.00 1.57 1.75 -1.26 -5.13 119.30 117.92 1fjc s MET 3 Ca 0.48 -1.34 0.00 0.00 -1.25 0.00 0.00 55.69 53.58 1fjc s MET 3 Cb 0.25 -2.50 0.00 0.00 2.84 0.00 0.00 34.83 35.42 1fjc s MET 3 CO 0.32 -0.03 0.00 1.28 -0.65 0.00 0.00 175.02 175.94 1fjc n LEU 4 N -1.49 0.00 -2.07 4.11 4.32 -1.26 -4.91 117.00 115.70 1fjc n LEU 4 Ca 0.01 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.76 1fjc n LEU 4 Cb 0.60 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.47 1fjc n LEU 4 CO 0.42 -0.08 1.30 -1.84 -1.22 0.00 0.00 177.39 175.97 1fjc n GLU 5 N -0.14 2.18 -1.48 3.23 0.28 -1.26 -4.99 120.64 118.46 1fjc n GLU 5 Ca 0.00 -2.34 -0.45 0.00 -0.16 0.00 0.00 57.16 54.21 1fjc n GLU 5 Cb 0.00 -1.92 -0.01 0.00 1.43 0.00 0.00 31.44 30.94 1fjc n GLU 5 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1fjc n ASP 6 N -0.29 -0.24 -0.94 -1.84 8.00 -1.26 -4.79 116.55 115.19 1fjc n ASP 6 Ca 0.45 1.09 -0.01 0.00 0.71 0.00 0.00 54.79 57.03 1fjc n ASP 6 Cb 0.70 -1.12 0.05 0.00 -0.02 0.00 0.00 41.12 40.73 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 0.81 1.46 -0.43 -0.24 -0.04 -1.26 -4.08 135.00 131.22 1fjc n PRO 7 Ca 0.13 -0.52 0.04 0.00 -0.04 0.00 0.00 63.50 63.12 1fjc n PRO 7 Cb 0.32 -1.44 0.21 0.00 -0.04 0.00 0.00 33.50 32.55 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 2.16 0.13 -0.32 0.00 2.02 -1.96 0.31 112.91 115.25 1fjc h THR 9 Ca 0.00 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.98 1fjc h THR 9 Cb 1.15 0.24 -0.10 0.00 -1.74 0.00 0.00 68.15 67.71 1fjc h THR 9 CO 0.22 0.00 0.25 -0.24 0.37 0.00 0.00 175.52 176.12 1fjc n SER 10 N -3.42 4.95 0.12 4.18 2.88 -1.26 -4.42 113.62 116.66 1fjc n SER 10 Ca 0.18 -2.72 -0.11 0.00 -1.33 0.00 0.00 58.87 54.89 1fjc n SER 10 Cb 1.20 -0.89 -0.07 0.00 -0.75 0.00 0.00 64.21 63.70 1fjc n SER 10 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1fjc h LYS 11 N 0.92 -0.35 -0.16 -1.46 1.57 -0.76 -2.95 116.57 113.38 1fjc h LYS 11 Ca 0.20 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1fjc h LYS 11 Cb 1.20 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1fjc h LYS 11 CO 0.45 -0.01 0.00 0.36 -0.57 0.00 0.00 179.45 179.68 1fjc n LYS 12 N -5.04 1.34 -0.06 3.15 -0.00 -1.26 -3.36 118.16 112.93 1fjc n LYS 12 Ca -0.08 -0.52 -0.07 0.00 -0.00 0.00 0.00 58.31 57.64 1fjc n LYS 12 Cb 0.26 -1.12 -0.15 0.00 -0.00 0.00 0.00 35.03 34.02 1fjc n LYS 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1fjc n VAL 13 N -0.07 1.29 0.06 0.58 0.31 -1.17 -4.11 118.33 115.23 1fjc n VAL 13 Ca 0.05 -0.80 -0.12 0.00 -0.01 0.00 0.00 64.34 63.46 1fjc n VAL 13 Cb 0.13 -0.57 -0.03 0.00 -0.91 0.00 0.00 33.84 32.45 1fjc n VAL 13 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1fjc h ARG 14 N 0.00 0.40 0.00 5.55 3.08 -1.52 -2.96 114.38 118.92 1fjc h ARG 14 Ca -0.40 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.24 1fjc h ARG 14 Cb 2.01 0.11 0.00 0.00 0.08 0.00 0.00 29.97 32.17 1fjc h ARG 14 CO 0.04 1.07 0.00 0.00 -1.07 0.00 0.00 179.97 180.01 1fjc n ALA 15 N -2.53 2.18 0.12 0.04 0.00 -1.26 -2.64 120.51 116.43 1fjc n ALA 15 Ca -0.06 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.36 1fjc n ALA 15 Cb 0.81 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.95 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 3.14 0.64 -0.65 0.00 0.00 -1.67 -2.84 119.26 117.88 1fjc h ALA 16 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1fjc h ALA 16 Cb 0.11 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1fjc h ALA 16 CO 0.00 0.15 0.15 2.89 0.00 0.00 0.00 179.25 182.44 1fjc n ARG 17 N -2.83 4.13 -3.79 0.00 1.85 -1.08 -3.82 116.66 111.13 1fjc n ARG 17 Ca -0.00 -2.98 -0.13 0.00 -1.00 0.00 0.00 57.85 53.74 1fjc n ARG 17 Cb 0.59 -2.21 -0.11 0.00 -1.05 0.00 0.00 32.46 29.68 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 -2.79 0.01 0.05 8.89 2.01 -1.24 0.26 115.64 122.81 1fjc s THR 18 Ca 0.53 -0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.46 1fjc s THR 18 Cb 0.41 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.52 1fjc s THR 18 CO 0.14 -0.02 0.01 -1.48 -0.69 0.00 0.00 174.62 172.57 1fjc s LEU 19 N 0.02 2.26 -0.38 4.42 0.05 1.00 -3.01 118.68 123.05 1fjc s LEU 19 Ca -0.01 -0.82 -0.12 0.00 0.05 0.00 0.00 54.13 53.24 1fjc s LEU 19 Cb -0.02 0.31 0.02 0.00 -2.05 0.00 0.00 46.19 44.45 1fjc s LEU 19 CO 0.01 -0.54 0.23 -0.22 -0.55 0.00 0.00 176.35 175.27 1fjc s LEU 20 N -2.54 4.79 0.33 1.48 2.96 0.69 0.13 118.68 126.51 1fjc s LEU 20 Ca 0.01 -0.95 -0.29 0.00 -0.22 0.00 0.00 54.13 52.68 1fjc s LEU 20 Cb 0.03 -2.06 -0.10 0.00 0.50 0.00 0.00 46.19 44.57 1fjc s LEU 20 CO -0.08 -0.39 1.24 0.00 -1.32 0.00 0.00 176.35 175.80 1fjc s ALA 21 N 1.59 3.44 0.22 5.97 0.00 0.72 0.28 121.76 133.97 1fjc s ALA 21 Ca 0.03 1.14 -0.00 0.00 0.00 0.00 0.00 51.96 53.12 1fjc s ALA 21 Cb -0.19 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1fjc s ALA 21 CO 0.07 -0.51 0.13 0.21 0.00 0.00 0.00 175.76 175.67 1fjc s LYS 22 N -1.75 1.26 -1.12 0.00 2.20 0.74 0.11 119.74 121.17 1fjc s LYS 22 Ca 0.49 -1.67 -0.05 0.00 -0.36 0.00 0.00 55.97 54.38 1fjc s LYS 22 Cb -0.37 0.18 0.01 0.00 -1.51 0.00 0.00 37.83 36.13 1fjc s LYS 22 CO 0.48 -0.38 0.96 -1.71 -0.36 0.00 0.00 175.35 174.35 1fjc n ASN 23 N -0.35 -4.25 -3.41 1.43 5.15 -0.31 0.93 115.26 114.45 1fjc n ASN 23 Ca 0.02 -0.50 -0.10 0.00 -0.60 0.00 0.00 54.58 53.40 1fjc n ASN 23 Cb 0.66 -4.47 0.04 0.00 -0.53 0.00 0.00 39.78 35.48 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 -4.13 0.00 -4.56 1.20 4.77 0.73 -4.18 117.00 110.83 1fjc n LEU 24 Ca -0.10 -1.20 -0.26 0.00 -0.03 0.00 0.00 56.01 54.43 1fjc n LEU 24 Cb 0.59 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 41.34 1fjc n LEU 24 CO 0.55 -0.64 -0.27 -0.55 -1.33 0.00 0.00 177.39 175.15 1fjc s SER 25 N -2.85 3.26 0.00 -1.43 0.15 -1.26 -4.53 113.70 107.03 1fjc s SER 25 Ca 0.31 -1.42 0.24 0.00 0.70 0.00 0.00 55.95 55.77 1fjc s SER 25 Cb -0.02 -0.12 1.11 0.00 -1.71 0.00 0.00 66.02 65.28 1fjc s SER 25 CO 0.20 -0.59 1.77 0.49 1.20 0.00 0.00 173.24 176.31 1fjc n PHE 26 N -0.89 0.00 -0.01 3.44 3.01 -1.26 -3.11 117.46 118.64 1fjc n PHE 26 Ca -0.06 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.27 1fjc n PHE 26 Cb 0.67 -0.38 -0.14 0.00 -0.01 0.00 0.00 39.48 39.62 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 -1.38 1.32 -4.76 4.37 5.15 -1.26 -4.92 115.26 113.79 1fjc n ASN 27 Ca 0.09 0.35 -0.29 0.00 -0.60 0.00 0.00 54.58 54.12 1fjc n ASN 27 Cb 0.23 -0.35 0.13 0.00 -0.53 0.00 0.00 39.78 39.25 1fjc n ASN 27 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1fjc s ILE 28 N -2.58 2.54 0.00 -1.44 2.07 -1.18 -5.05 121.20 115.56 1fjc s ILE 28 Ca -0.11 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 1fjc s ILE 28 Cb 0.07 -2.82 0.00 0.00 0.13 0.00 0.00 42.46 39.84 1fjc s ILE 28 CO 0.81 -0.23 0.00 0.35 -1.91 0.00 0.00 174.94 173.96 1fjc n THR 29 N -3.74 0.00 -0.11 4.00 -2.24 -1.26 -4.89 114.28 106.04 1fjc n THR 29 Ca 0.07 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.77 1fjc n THR 29 Cb 0.57 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.81 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 0.38 -0.78 -0.78 4.22 -1.94 0.59 114.58 116.27 1fjc h GLU 30 Ca 0.00 -0.02 0.11 0.00 0.08 0.00 0.00 59.36 59.53 1fjc h GLU 30 Cb 0.00 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.08 1fjc h GLU 30 CO 0.00 0.25 0.40 -0.44 -2.18 0.00 0.00 179.01 177.04 1fjc h ASP 31 N 0.39 0.52 -0.26 1.04 3.32 -1.96 1.65 116.42 121.12 1fjc h ASP 31 Ca 0.15 0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 1fjc h ASP 31 Cb 0.05 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1fjc h ASP 31 CO -0.10 0.27 -0.21 -0.08 -1.72 0.00 0.00 179.24 177.40 1fjc h GLU 32 N 0.64 0.72 -0.13 3.56 4.57 -1.72 0.44 114.58 122.67 1fjc h GLU 32 Ca 0.40 -0.28 -0.22 0.00 -1.18 0.00 0.00 59.36 58.08 1fjc h GLU 32 Cb 0.47 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1fjc h GLU 32 CO -0.30 0.88 -0.78 -0.07 -1.18 0.00 0.00 179.01 177.56 1fjc h LEU 33 N 0.64 0.84 -1.08 1.64 3.38 0.13 0.50 115.31 121.35 1fjc h LEU 33 Ca 0.09 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 1fjc h LEU 33 Cb 0.71 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1fjc h LEU 33 CO 0.05 1.34 -0.31 0.50 0.09 0.00 0.00 178.44 180.12 1fjc h LYS 34 N 0.48 0.00 0.00 1.13 3.64 0.26 0.09 116.57 122.17 1fjc h LYS 34 Ca -0.05 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 1fjc h LYS 34 Cb 1.40 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.19 1fjc h LYS 34 CO 0.15 0.31 -1.06 1.49 -2.27 0.00 0.00 179.45 178.07 1fjc h GLU 35 N 0.00 0.00 0.13 1.90 4.81 0.15 -0.94 114.58 120.63 1fjc h GLU 35 Ca -0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.94 1fjc h GLU 35 Cb 0.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1fjc h GLU 35 CO 0.04 0.34 -1.33 0.28 -0.73 0.00 0.00 179.01 177.61 1fjc h VAL 36 N 0.00 1.40 0.13 0.32 2.07 0.42 -3.34 116.25 117.25 1fjc h VAL 36 Ca -0.09 -2.98 -0.34 0.00 0.82 0.00 0.00 66.70 64.11 1fjc h VAL 36 Cb 1.47 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 34.13 1fjc h VAL 36 CO 0.05 0.87 -1.75 -0.26 0.02 0.00 0.00 177.57 176.50 1fjc h PHE 37 N 0.07 0.51 -4.48 1.57 0.04 -1.09 -3.47 116.94 110.08 1fjc h PHE 37 Ca -0.17 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 60.23 1fjc h PHE 37 Cb 1.99 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 40.12 1fjc h PHE 37 CO 0.06 1.55 0.00 0.39 -0.60 0.00 0.00 178.31 179.72 1fjc n GLU 38 N -3.47 -2.68 0.00 1.51 1.02 -0.36 -4.24 120.64 112.42 1fjc n GLU 38 Ca -0.23 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 1fjc n GLU 38 Cb 1.06 -4.27 0.00 0.00 -0.02 0.00 0.00 31.44 28.20 1fjc n GLU 38 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1fjc n ASP 39 N -1.14 0.00 -3.16 1.62 -0.08 -1.26 -5.10 116.55 107.43 1fjc n ASP 39 Ca 0.00 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.08 1fjc n ASP 39 Cb 0.42 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.08 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 -1.19 -3.51 -0.11 -1.67 0.00 -1.26 -4.41 120.51 108.36 1fjc n ALA 40 Ca 0.00 -1.02 -0.21 0.00 0.00 0.00 0.00 53.44 52.21 1fjc n ALA 40 Cb 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.24 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 2.66 -3.76 0.00 4.77 0.70 -4.71 117.00 116.65 1fjc n LEU 41 Ca 0.09 0.05 -0.08 0.00 -0.03 0.00 0.00 56.01 56.04 1fjc n LEU 41 Cb 0.40 -0.93 -0.02 0.00 -2.33 0.00 0.00 43.42 40.54 1fjc n LEU 41 CO 0.26 0.82 0.46 -1.61 -1.33 0.00 0.00 177.39 175.99 1fjc s GLU 42 N -2.52 1.67 0.01 3.23 2.02 -0.94 -5.00 118.70 117.17 1fjc s GLU 42 Ca -0.33 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 53.80 1fjc s GLU 42 Cb 0.10 0.60 -0.01 0.00 0.10 0.00 0.00 34.13 34.92 1fjc s GLU 42 CO 0.60 -0.76 -0.04 0.42 0.02 0.00 0.00 175.26 175.51 1fjc s ILE 43 N -3.87 0.29 0.33 -1.63 1.09 -1.26 -0.73 121.20 115.42 1fjc s ILE 43 Ca 0.09 -0.43 0.09 0.00 -1.10 0.00 0.00 60.65 59.30 1fjc s ILE 43 Cb -0.05 -0.30 -0.05 0.00 -1.06 0.00 0.00 42.46 41.00 1fjc s ILE 43 CO 0.03 -0.10 -0.01 -0.13 -0.10 0.00 0.00 174.94 174.63 1fjc s ARG 44 N -0.57 2.04 0.26 2.79 1.81 0.71 -4.85 118.95 121.15 1fjc s ARG 44 Ca -0.03 -1.74 0.09 0.00 -1.72 0.00 0.00 55.73 52.32 1fjc s ARG 44 Cb -0.04 -1.91 -0.04 0.00 -0.45 0.00 0.00 34.95 32.50 1fjc s ARG 44 CO -0.00 0.16 0.06 -0.48 -0.68 0.00 0.00 175.30 174.37 1fjc s LEU 45 N -3.69 3.39 -0.28 2.53 -0.00 -1.26 0.25 118.68 119.62 1fjc s LEU 45 Ca 0.34 -0.53 -0.15 0.00 -0.00 0.00 0.00 54.13 53.80 1fjc s LEU 45 Cb -0.01 -1.91 0.09 0.00 -0.00 0.00 0.00 46.19 44.36 1fjc s LEU 45 CO 0.19 -0.02 0.68 -0.69 -0.00 0.00 0.00 176.35 176.51 1fjc s VAL 46 N -2.27 -0.17 0.36 1.48 1.01 0.10 -4.63 120.40 116.29 1fjc s VAL 46 Ca 0.32 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 62.03 1fjc s VAL 46 Cb -0.07 -0.99 -0.10 0.00 0.00 0.00 0.00 36.38 35.22 1fjc s VAL 46 CO 0.22 0.00 1.29 -0.94 0.00 0.00 0.00 175.10 175.67 1fjc s SER 47 N 1.85 6.59 0.49 3.32 1.04 -1.26 -0.77 113.70 124.95 1fjc s SER 47 Ca -0.09 2.64 0.00 0.00 0.48 0.00 0.00 55.95 58.98 1fjc s SER 47 Cb -0.06 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1fjc s SER 47 CO -0.20 -0.66 0.00 1.67 0.98 0.00 0.00 173.24 175.04 1fjc n GLN 48 N 0.49 0.69 0.13 4.02 7.27 -1.16 -4.74 117.38 124.09 1fjc n GLN 48 Ca 0.02 0.00 0.17 0.00 0.07 0.00 0.00 57.00 57.26 1fjc n GLN 48 Cb 0.43 0.00 0.56 0.00 2.41 0.00 0.00 30.24 33.64 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 -2.82 116.42 115.30 1fjc h ASP 49 Ca 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 1fjc h ASP 49 Cb 0.00 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 38.36 1fjc h ASP 49 CO 0.00 0.00 -0.31 0.61 -1.03 0.00 0.00 179.24 178.51 1fjc n GLY 50 N -1.47 0.79 3.71 7.15 0.00 -1.26 -5.14 105.19 108.97 1fjc n GLY 50 Ca 0.07 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 2.14 -0.18 1.61 1.02 -1.07 -5.04 119.74 118.21 1fjc s LYS 51 Ca 0.03 -2.35 0.16 0.00 0.02 0.00 0.00 55.97 53.83 1fjc s LYS 51 Cb 0.09 -1.37 0.46 0.00 -0.52 0.00 0.00 37.83 36.48 1fjc s LYS 51 CO -0.03 -0.37 1.34 0.45 -0.92 0.00 0.00 175.35 175.83 1fjc n SER 52 N -1.26 3.21 0.00 2.83 2.88 -1.26 -2.99 113.62 117.04 1fjc n SER 52 Ca -0.16 -3.16 0.00 0.00 -1.33 0.00 0.00 58.87 54.22 1fjc n SER 52 Cb 0.67 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1fjc n SER 52 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1fjc n LYS 53 N -0.87 0.00 0.15 -1.46 2.85 -1.12 -4.26 118.16 113.44 1fjc n LYS 53 Ca 0.21 0.00 0.17 0.00 -1.05 0.00 0.00 58.31 57.65 1fjc n LYS 53 Cb 0.83 0.00 0.62 0.00 -0.65 0.00 0.00 35.03 35.83 1fjc n LYS 53 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1fjc h GLY 54 N 0.00 0.00 -2.21 2.58 0.00 -1.72 -3.39 103.07 98.33 1fjc h GLY 54 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1fjc h GLY 54 CO 0.00 0.00 -0.53 -0.42 0.00 0.00 0.00 176.54 175.59 1fjc s ILE 55 N -4.34 2.85 -0.29 2.60 1.01 0.05 0.26 121.20 123.35 1fjc s ILE 55 Ca -0.03 -1.70 -0.15 0.00 0.00 0.00 0.00 60.65 58.77 1fjc s ILE 55 Cb 0.11 -2.97 0.11 0.00 0.01 0.00 0.00 42.46 39.72 1fjc s ILE 55 CO 0.37 -0.15 0.77 0.00 0.00 0.00 0.00 174.94 175.94 1fjc s ALA 56 N -2.46 -2.05 0.60 9.38 0.00 0.29 0.01 121.76 127.53 1fjc s ALA 56 Ca 0.38 2.34 -0.15 0.00 0.00 0.00 0.00 51.96 54.54 1fjc s ALA 56 Cb -0.01 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1fjc s ALA 56 CO 0.23 -0.49 1.05 0.71 0.00 0.00 0.00 175.76 177.26 1fjc s TYR 57 N 1.81 3.06 -0.19 0.00 2.02 0.70 0.26 117.35 125.01 1fjc s TYR 57 Ca -0.09 1.49 -0.04 0.00 -0.37 0.00 0.00 57.07 58.06 1fjc s TYR 57 Cb -0.06 -2.97 0.09 0.00 -0.40 0.00 0.00 41.96 38.63 1fjc s TYR 57 CO -0.18 -1.05 0.31 0.42 -1.57 0.00 0.00 175.55 173.48 1fjc s ILE 58 N -2.55 -0.49 -0.17 2.71 1.01 0.12 0.25 121.20 122.09 1fjc s ILE 58 Ca 0.62 0.09 -0.07 0.00 0.00 0.00 0.00 60.65 61.30 1fjc s ILE 58 Cb -0.15 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1fjc s ILE 58 CO 0.39 -0.02 0.06 -1.61 0.00 0.00 0.00 174.94 173.76 1fjc s GLU 59 N 2.47 3.83 0.44 2.79 2.02 0.09 -0.00 118.70 130.34 1fjc s GLU 59 Ca 0.05 -0.33 0.07 0.00 0.02 0.00 0.00 54.97 54.78 1fjc s GLU 59 Cb -0.14 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 1fjc s GLU 59 CO -0.12 0.37 0.32 -0.06 0.02 0.00 0.00 175.26 175.79 1fjc s PHE 60 N 0.10 2.50 0.26 1.61 0.40 0.71 0.25 117.98 123.81 1fjc s PHE 60 Ca 0.05 -0.58 0.25 0.00 -0.60 0.00 0.00 56.93 56.05 1fjc s PHE 60 Cb -0.12 -2.06 1.11 0.00 0.51 0.00 0.00 43.02 42.46 1fjc s PHE 60 CO 0.01 -0.08 1.92 -0.22 0.70 0.00 0.00 175.22 177.54 1fjc h LYS 61 N 1.12 0.00 -2.65 0.44 3.64 -1.82 -3.42 116.57 113.87 1fjc h LYS 61 Ca -0.41 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.05 1fjc h LYS 61 Cb 1.27 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.99 1fjc h LYS 61 CO 0.62 0.20 0.36 -1.12 -2.27 0.00 0.00 179.45 177.23 1fjc s SER 62 N -6.21 -0.35 0.40 4.20 0.01 -1.26 -5.00 113.70 105.49 1fjc s SER 62 Ca -0.01 -0.24 0.11 0.00 1.31 0.00 0.00 55.95 57.12 1fjc s SER 62 Cb 0.12 0.55 0.91 0.00 0.21 0.00 0.00 66.02 67.80 1fjc s SER 62 CO 0.62 -0.95 1.96 -0.08 0.41 0.00 0.00 173.24 175.20 1fjc h GLU 63 N 2.00 0.54 -0.73 12.44 4.81 -1.89 -0.34 114.58 131.41 1fjc h GLU 63 Ca -0.25 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1fjc h GLU 63 Cb 1.26 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1fjc h GLU 63 CO 0.30 0.36 0.35 0.00 -0.73 0.00 0.00 179.01 179.28 1fjc h ALA 64 N 1.65 0.94 0.23 2.92 0.00 -1.95 1.09 119.26 124.14 1fjc h ALA 64 Ca 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1fjc h ALA 64 Cb 0.47 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1fjc h ALA 64 CO -0.10 0.51 -0.11 -0.44 0.00 0.00 0.00 179.25 179.11 1fjc h ASP 65 N 1.02 -0.26 -0.03 0.00 5.19 -1.53 0.10 116.42 120.92 1fjc h ASP 65 Ca 0.25 -0.26 0.01 0.00 -0.62 0.00 0.00 57.03 56.41 1fjc h ASP 65 Cb 0.12 0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.70 1fjc h ASP 65 CO -0.03 0.18 0.02 0.00 -3.12 0.00 0.00 179.24 176.28 1fjc h ALA 66 N -0.17 2.02 0.07 3.45 0.00 -0.99 -0.28 119.26 123.35 1fjc h ALA 66 Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1fjc h ALA 66 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1fjc h ALA 66 CO 0.05 -0.02 -0.03 0.93 0.00 0.00 0.00 179.25 180.18 1fjc h GLU 67 N 0.01 -0.09 -0.73 0.00 5.08 0.14 0.40 114.58 119.38 1fjc h GLU 67 Ca 0.01 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1fjc h GLU 67 Cb 0.04 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1fjc h GLU 67 CO -0.00 0.48 0.48 -0.22 -1.00 0.00 0.00 179.01 178.75 1fjc h LYS 68 N -0.80 0.84 0.13 2.33 1.63 -0.49 0.51 116.57 120.71 1fjc h LYS 68 Ca -0.01 -0.05 -0.30 0.00 -0.85 0.00 0.00 60.65 59.44 1fjc h LYS 68 Cb 0.61 -0.19 0.03 0.00 -0.60 0.00 0.00 32.23 32.08 1fjc h LYS 68 CO 0.02 0.56 -1.23 -0.91 -3.45 0.00 0.00 179.45 174.43 1fjc h ASN 69 N 0.87 0.87 1.04 4.20 -0.26 -1.08 0.46 115.58 121.68 1fjc h ASN 69 Ca 0.30 -0.83 0.00 0.00 -0.56 0.00 0.00 56.30 55.21 1fjc h ASN 69 Cb 0.09 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.08 1fjc h ASN 69 CO -0.09 1.61 0.00 0.25 -1.06 0.00 0.00 177.43 178.14 1fjc h LEU 70 N 0.25 0.00 0.00 1.61 6.46 0.47 0.38 115.31 124.48 1fjc h LEU 70 Ca -0.19 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.54 1fjc h LEU 70 Cb 1.91 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.84 1fjc h LEU 70 CO 0.24 0.00 -1.58 -0.62 -0.62 0.00 0.00 178.44 175.86 1fjc n GLU 71 N -2.54 0.62 0.00 1.25 1.02 0.17 -3.92 120.64 117.24 1fjc n GLU 71 Ca 0.02 -0.09 0.05 0.00 -0.02 0.00 0.00 57.16 57.12 1fjc n GLU 71 Cb 0.31 -1.28 -0.05 0.00 -0.02 0.00 0.00 31.44 30.40 1fjc n GLU 71 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1fjc n GLU 72 N -1.99 3.11 -0.01 3.49 2.13 0.16 -4.61 120.64 122.93 1fjc n GLU 72 Ca -0.04 -0.15 0.01 0.00 0.66 0.00 0.00 57.16 57.63 1fjc n GLU 72 Cb 0.39 -1.04 -0.03 0.00 0.27 0.00 0.00 31.44 31.03 1fjc n GLU 72 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1fjc n LYS 73 N -1.02 1.19 -1.51 5.31 3.00 0.13 -4.91 118.16 120.36 1fjc n LYS 73 Ca 0.03 -0.03 -0.23 0.00 -0.00 0.00 0.00 58.31 58.08 1fjc n LYS 73 Cb 0.18 -1.10 -0.19 0.00 0.00 0.00 0.00 35.03 33.93 1fjc n LYS 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1fjc n GLN 74 N -1.81 0.12 0.00 1.64 6.02 -1.14 -1.50 117.38 120.71 1fjc n GLN 74 Ca -0.03 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1fjc n GLN 74 Cb 0.28 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 29.98 1fjc n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fjc n GLY 75 N 5.84 2.42 3.10 1.08 0.00 0.73 -4.87 105.19 113.50 1fjc n GLY 75 Ca 0.64 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.72 -1.54 4.61 0.00 -0.56 0.27 120.51 121.57 1fjc n ALA 76 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1fjc n ALA 76 Cb 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 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 1.60 0.41 -4.33 0.00 2.13 -1.26 -4.01 120.64 115.18 1fjc n GLU 77 Ca 0.00 -0.83 -0.19 0.00 0.66 0.00 0.00 57.16 56.80 1fjc n GLU 77 Cb 0.36 -3.30 -0.09 0.00 0.27 0.00 0.00 31.44 28.69 1fjc n GLU 77 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1fjc s ILE 78 N 12.84 0.21 -0.30 6.31 1.01 0.21 -4.81 121.20 136.68 1fjc s ILE 78 Ca 0.95 -2.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.57 1fjc s ILE 78 Cb -0.22 -2.48 0.03 0.00 0.01 0.00 0.00 42.46 39.80 1fjc s ILE 78 CO 0.16 0.00 0.08 0.47 0.00 0.00 0.00 174.94 175.65 1fjc n ASP 79 N -1.16 -1.33 -2.76 3.58 9.92 -1.26 0.26 116.55 123.80 1fjc n ASP 79 Ca 0.02 0.27 -0.21 0.00 -0.53 0.00 0.00 54.79 54.34 1fjc n ASP 79 Cb 0.64 -1.25 0.02 0.00 -0.64 0.00 0.00 41.12 39.89 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 -0.47 3.63 0.44 0.00 -1.26 -4.94 105.19 102.00 1fjc n GLY 80 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 -5.51 0.69 -0.14 1.61 1.70 0.74 -5.15 118.95 112.89 1fjc s ARG 81 Ca 0.23 -0.34 -0.07 0.00 -0.47 0.00 0.00 55.73 55.08 1fjc s ARG 81 Cb -0.10 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.50 1fjc s ARG 81 CO 0.28 -0.31 0.09 -1.54 -1.08 0.00 0.00 175.30 172.74 1fjc s SER 82 N -2.73 5.92 0.19 -2.89 1.04 -1.26 -0.62 113.70 113.36 1fjc s SER 82 Ca 0.11 0.26 -0.10 0.00 0.48 0.00 0.00 55.95 56.70 1fjc s SER 82 Cb 0.01 -1.93 -0.07 0.00 0.10 0.00 0.00 66.02 64.13 1fjc s SER 82 CO -0.03 0.30 0.51 -0.69 0.98 0.00 0.00 173.24 174.31 1fjc s VAL 83 N -0.37 4.97 0.19 5.02 1.01 0.76 -4.81 120.40 127.16 1fjc s VAL 83 Ca 0.10 0.46 0.06 0.00 0.00 0.00 0.00 61.98 62.60 1fjc s VAL 83 Cb -0.12 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1fjc s VAL 83 CO 0.02 0.02 0.12 -0.44 0.00 0.00 0.00 175.10 174.81 1fjc s SER 84 N -2.23 5.33 -0.14 3.32 0.01 0.26 0.26 113.70 120.51 1fjc s SER 84 Ca 0.44 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.49 1fjc s SER 84 Cb -0.12 -1.32 0.01 0.00 0.21 0.00 0.00 66.02 64.80 1fjc s SER 84 CO 0.21 0.05 -0.21 -0.76 0.41 0.00 0.00 173.24 172.94 1fjc s LEU 85 N -3.25 2.15 -0.66 2.44 1.43 -1.26 0.26 118.68 119.79 1fjc s LEU 85 Ca 0.31 -0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 1fjc s LEU 85 Cb -0.09 -1.46 0.17 0.00 0.03 0.00 0.00 46.19 44.84 1fjc s LEU 85 CO 0.23 0.08 0.55 -0.31 0.23 0.00 0.00 176.35 177.13 1fjc s TYR 86 N 0.83 3.53 0.11 0.29 1.51 0.78 -4.84 117.35 119.56 1fjc s TYR 86 Ca -0.06 -2.07 -0.01 0.00 -1.01 0.00 0.00 57.07 53.91 1fjc s TYR 86 Cb -0.15 -3.58 0.02 0.00 -0.11 0.00 0.00 41.96 38.13 1fjc s TYR 86 CO -0.02 -0.96 0.05 0.98 -1.11 0.00 0.00 175.55 174.49 1fjc n TYR 87 N 4.22 -1.34 -2.31 2.71 4.19 -1.26 0.25 117.16 123.61 1fjc n TYR 87 Ca 0.04 -0.02 -0.04 0.00 3.31 0.00 0.00 57.90 61.19 1fjc n TYR 87 Cb 0.42 -0.13 0.01 0.00 0.49 0.00 0.00 39.34 40.13 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 -2.80 0.09 0.26 2.97 5.66 -1.16 -4.30 114.28 115.00 1fjc n THR 88 Ca 0.01 -0.63 0.03 0.00 -3.05 0.00 0.00 64.05 60.41 1fjc n THR 88 Cb 0.04 0.77 0.03 0.00 -1.55 0.00 0.00 70.33 69.61 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 -0.39 -0.65 3.99 1.09 0.00 -1.07 -4.51 105.19 103.64 1fjc n GLY 89 Ca -0.18 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 1fjc n GLY 89 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1fjc n GLU 90 N 0.36 -1.12 -0.05 1.61 2.13 -1.26 -4.86 120.64 117.45 1fjc n GLU 90 Ca 0.04 0.23 -0.01 0.00 0.66 0.00 0.00 57.16 58.08 1fjc n GLU 90 Cb 0.17 -3.45 -0.13 0.00 0.27 0.00 0.00 31.44 28.30 1fjc n GLU 90 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1fjc n LYS 91 N -4.64 1.04 -1.06 5.31 3.00 -1.26 -5.00 118.16 115.55 1fjc n LYS 91 Ca -0.17 -0.07 -0.36 0.00 -0.00 0.00 0.00 58.31 57.71 1fjc n LYS 91 Cb 0.61 -1.41 0.05 0.00 0.00 0.00 0.00 35.03 34.29 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 1.82 -3.38 0.95 3.14 0.00 -1.26 -4.54 105.19 101.92 1fjc n GLY 92 Ca -0.16 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 2.64 -1.01 3.60 -0.02 0.00 -1.26 -4.99 105.19 104.15 1fjc n GLY 93 Ca 0.04 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1fjc n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fjc s THR 94 N -0.32 4.47 -0.31 2.61 2.01 -1.26 -4.95 115.64 117.88 1fjc s THR 94 Ca 0.00 1.23 -0.44 0.00 0.31 0.00 0.00 61.69 62.79 1fjc s THR 94 Cb 0.00 -4.43 -0.20 0.00 0.01 0.00 0.00 72.50 67.88 1fjc s THR 94 CO 0.00 -0.68 1.39 0.54 -0.69 0.00 0.00 174.62 175.18 1fjc n ARG 95 N 7.10 0.00 0.00 4.92 5.12 -1.26 -5.31 116.66 127.23 1fjc n ARG 95 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 1fjc n ARG 95 Cb 0.48 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11