#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 -3.01 -3.64 7.33 -0.00 -1.26 -5.05 115.22 109.59 1fjc n HIS 2 Ca 0.00 -1.21 -0.38 0.00 -0.00 0.00 0.00 57.72 56.13 1fjc n HIS 2 Cb 0.00 -0.47 -0.08 0.00 -0.00 0.00 0.00 29.99 29.44 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 -4.15 2.89 -0.06 -0.41 -2.45 -1.26 -5.06 119.30 108.79 1fjc s MET 3 Ca 0.44 -2.69 -0.04 0.00 -1.25 0.00 0.00 55.69 52.14 1fjc s MET 3 Cb -0.03 -3.89 -0.04 0.00 1.25 0.00 0.00 34.83 32.12 1fjc s MET 3 CO 0.29 -1.21 0.13 -0.51 1.05 0.00 0.00 175.02 174.77 1fjc s LEU 4 N -0.33 4.21 -1.24 4.11 1.43 -1.26 -5.02 118.68 120.58 1fjc s LEU 4 Ca 0.19 0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 53.49 1fjc s LEU 4 Cb -0.16 -2.24 0.15 0.00 0.03 0.00 0.00 46.19 43.97 1fjc s LEU 4 CO -0.06 0.34 1.53 1.21 0.23 0.00 0.00 176.35 179.60 1fjc n GLU 5 N 1.55 3.34 -0.95 1.70 2.13 -1.26 -5.00 120.64 122.15 1fjc n GLU 5 Ca -0.16 -3.70 -0.34 0.00 0.66 0.00 0.00 57.16 53.62 1fjc n GLU 5 Cb 0.54 -3.14 0.10 0.00 0.27 0.00 0.00 31.44 29.20 1fjc n GLU 5 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1fjc n ASP 6 N 6.19 -2.25 -2.72 4.31 9.92 -1.26 -4.98 116.55 125.76 1fjc n ASP 6 Ca 0.40 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 55.05 1fjc n ASP 6 Cb 0.43 -1.16 0.00 0.00 -0.64 0.00 0.00 41.12 39.75 1fjc n ASP 6 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1fjc n PRO 7 N -1.00 0.02 -1.17 -0.24 -0.04 -1.26 -5.02 135.00 126.29 1fjc n PRO 7 Ca 0.07 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 1fjc n PRO 7 Cb 0.53 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.04 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 0.07 0.00 -2.55 0.00 -1.04 -1.26 -3.58 114.28 105.92 1fjc n THR 9 Ca 0.08 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.95 1fjc n THR 9 Cb 0.99 -0.18 -0.00 0.00 -1.82 0.00 0.00 70.33 69.32 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 -0.03 -3.93 -0.00 8.00 7.64 -1.26 -4.87 113.62 119.17 1fjc n SER 10 Ca 0.00 0.12 -0.00 0.00 1.01 0.00 0.00 58.87 60.00 1fjc n SER 10 Cb 0.01 -3.33 -0.00 0.00 -1.01 0.00 0.00 64.21 59.88 1fjc n SER 10 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1fjc h LYS 11 N -0.14 -0.02 -0.00 1.43 1.63 -2.02 -3.16 116.57 114.29 1fjc h LYS 11 Ca -0.31 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1fjc h LYS 11 Cb 1.23 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1fjc h LYS 11 CO 0.37 -0.02 0.00 1.63 -3.45 0.00 0.00 179.45 177.98 1fjc n LYS 12 N -2.71 1.00 0.03 1.90 5.02 -1.26 -2.89 118.16 119.26 1fjc n LYS 12 Ca -0.00 -0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.31 1fjc n LYS 12 Cb 0.01 -1.27 -0.08 0.00 -0.02 0.00 0.00 35.03 33.67 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 -0.76 0.96 0.17 -0.18 0.31 -1.25 -3.76 118.33 113.81 1fjc n VAL 13 Ca 0.13 -0.65 0.01 0.00 -0.01 0.00 0.00 64.34 63.82 1fjc n VAL 13 Cb 0.06 -0.56 0.28 0.00 -0.91 0.00 0.00 33.84 32.71 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 -1.49 -2.59 114.38 115.86 1fjc h ARG 14 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.84 1fjc h ARG 14 Cb 1.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.42 1fjc h ARG 14 CO 0.03 0.47 -0.24 0.00 -0.00 0.00 0.00 179.97 180.23 1fjc h ALA 15 N 1.53 0.84 0.00 0.08 0.00 -1.73 -3.24 119.26 116.74 1fjc h ALA 15 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1fjc h ALA 15 Cb 0.84 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1fjc h ALA 15 CO 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 179.25 179.23 1fjc h ALA 16 N 2.46 1.02 -0.62 0.00 0.00 -1.55 -2.64 119.26 117.93 1fjc h ALA 16 Ca 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1fjc h ALA 16 Cb 0.77 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 1fjc h ALA 16 CO 0.00 0.11 0.22 2.89 0.00 0.00 0.00 179.25 182.47 1fjc n ARG 17 N -3.22 3.40 -3.82 0.00 0.00 -1.22 -3.91 116.66 107.89 1fjc n ARG 17 Ca 0.00 -2.60 -0.12 0.00 -0.00 0.00 0.00 57.85 55.13 1fjc n ARG 17 Cb 0.35 -2.08 -0.13 0.00 -0.00 0.00 0.00 32.46 30.60 1fjc n ARG 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1fjc s THR 18 N -2.59 -0.00 0.03 8.89 2.01 -1.01 0.25 115.64 123.21 1fjc s THR 18 Ca 0.47 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.45 1fjc s THR 18 Cb 0.37 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.66 1fjc s THR 18 CO 0.12 0.01 0.04 -1.48 -0.69 0.00 0.00 174.62 172.61 1fjc s LEU 19 N 0.16 2.01 -0.21 4.42 0.05 0.45 -2.77 118.68 122.80 1fjc s LEU 19 Ca -0.01 -0.54 -0.14 0.00 0.05 0.00 0.00 54.13 53.49 1fjc s LEU 19 Cb -0.02 0.38 -0.04 0.00 -2.05 0.00 0.00 46.19 44.46 1fjc s LEU 19 CO -0.00 -0.43 0.33 -0.22 -0.55 0.00 0.00 176.35 175.48 1fjc s LEU 20 N -1.90 4.15 0.31 1.48 2.96 0.72 0.57 118.68 126.98 1fjc s LEU 20 Ca -0.09 0.41 -0.21 0.00 -0.22 0.00 0.00 54.13 54.03 1fjc s LEU 20 Cb -0.04 -2.40 -0.09 0.00 0.50 0.00 0.00 46.19 44.16 1fjc s LEU 20 CO -0.03 -0.03 0.84 0.00 -1.32 0.00 0.00 176.35 175.81 1fjc s ALA 21 N 1.18 3.26 0.34 5.97 0.00 0.78 0.28 121.76 133.57 1fjc s ALA 21 Ca 0.16 0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.38 1fjc s ALA 21 Cb -0.14 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1fjc s ALA 21 CO 0.07 0.25 0.47 0.15 0.00 0.00 0.00 175.76 176.69 1fjc s LYS 22 N -2.43 1.89 -0.97 0.00 1.02 0.31 -0.33 119.74 119.23 1fjc s LYS 22 Ca 0.51 -1.75 0.00 0.00 0.02 0.00 0.00 55.97 54.75 1fjc s LYS 22 Cb -0.14 0.44 0.00 0.00 -0.52 0.00 0.00 37.83 37.61 1fjc s LYS 22 CO 0.19 -0.78 0.00 -1.71 -0.92 0.00 0.00 175.35 172.13 1fjc n ASN 23 N -1.38 -5.50 -3.66 2.83 5.15 -0.93 -0.89 115.26 110.89 1fjc n ASN 23 Ca 0.01 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.22 1fjc n ASN 23 Cb 0.62 -3.80 0.00 0.00 -0.53 0.00 0.00 39.78 36.07 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 -1.04 0.00 -4.44 1.20 4.77 0.03 -4.71 117.00 112.81 1fjc n LEU 24 Ca -0.09 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.66 1fjc n LEU 24 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 1fjc n LEU 24 CO 0.14 -0.32 -0.19 -0.55 -1.33 0.00 0.00 177.39 175.14 1fjc s SER 25 N -1.66 2.35 0.31 -1.43 0.15 -1.26 -4.70 113.70 107.45 1fjc s SER 25 Ca 0.00 -1.63 0.25 0.00 0.70 0.00 0.00 55.95 55.26 1fjc s SER 25 Cb 0.00 0.44 0.63 0.00 -1.71 0.00 0.00 66.02 65.39 1fjc s SER 25 CO 0.00 -0.91 1.71 -0.26 1.20 0.00 0.00 173.24 174.98 1fjc h PHE 26 N 1.95 0.00 0.10 3.44 -1.00 -1.95 -3.30 116.94 116.18 1fjc h PHE 26 Ca -0.34 0.00 -0.36 0.00 2.81 0.00 0.00 57.97 60.07 1fjc h PHE 26 Cb 1.26 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.80 1fjc h PHE 26 CO 1.35 0.00 -2.04 -1.71 -1.61 0.00 0.00 178.31 174.29 1fjc n ASN 27 N -2.61 2.09 -3.98 2.17 2.85 -1.26 -4.94 115.26 109.58 1fjc n ASN 27 Ca 0.05 0.17 -0.28 0.00 -0.11 0.00 0.00 54.58 54.41 1fjc n ASN 27 Cb 0.46 -0.80 0.10 0.00 1.24 0.00 0.00 39.78 40.79 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 -3.50 0.00 -3.90 -1.44 -0.00 -1.24 -5.01 119.36 104.26 1fjc n ILE 28 Ca -0.34 -0.11 -0.02 0.00 -0.00 0.00 0.00 62.75 62.27 1fjc n ILE 28 Cb 1.02 -0.33 0.02 0.00 -0.00 0.00 0.00 39.64 40.35 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 -2.10 0.00 0.27 1.39 -4.23 -1.26 -4.92 115.64 104.78 1fjc s THR 29 Ca 0.39 -0.51 -0.01 0.00 -1.18 0.00 0.00 61.69 60.38 1fjc s THR 29 Cb -0.02 -2.90 0.25 0.00 1.34 0.00 0.00 72.50 71.17 1fjc s THR 29 CO 0.52 0.00 1.80 -0.08 -0.54 0.00 0.00 174.62 176.32 1fjc h GLU 30 N 2.00 0.80 -0.62 3.99 4.57 -1.92 0.83 114.58 124.23 1fjc h GLU 30 Ca -0.27 -0.05 0.08 0.00 -1.18 0.00 0.00 59.36 57.95 1fjc h GLU 30 Cb 1.21 -0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 29.56 1fjc h GLU 30 CO 0.35 0.53 0.27 0.22 -1.18 0.00 0.00 179.01 179.20 1fjc h ASP 31 N 0.82 0.33 -0.57 1.04 3.58 -1.96 2.07 116.42 121.73 1fjc h ASP 31 Ca 0.46 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.92 1fjc h ASP 31 Cb 0.51 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 1fjc h ASP 31 CO -0.29 0.20 0.16 -0.08 -2.88 0.00 0.00 179.24 176.35 1fjc h GLU 32 N 0.49 0.90 -0.03 0.28 4.22 -1.30 0.53 114.58 119.67 1fjc h GLU 32 Ca 0.30 -0.21 -0.10 0.00 0.08 0.00 0.00 59.36 59.43 1fjc h GLU 32 Cb 0.32 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1fjc h GLU 32 CO -0.26 0.83 -0.45 -0.07 -2.18 0.00 0.00 179.01 176.87 1fjc h LEU 33 N 0.81 0.08 -0.57 1.64 3.38 0.52 0.57 115.31 121.75 1fjc h LEU 33 Ca 0.18 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1fjc h LEU 33 Cb 0.32 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1fjc h LEU 33 CO -0.00 0.53 -0.39 0.11 0.09 0.00 0.00 178.44 178.78 1fjc h LYS 34 N 0.07 0.00 0.15 1.13 1.79 0.42 0.55 116.57 120.68 1fjc h LYS 34 Ca 0.00 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.18 1fjc h LYS 34 Cb 0.83 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.49 1fjc h LYS 34 CO 0.06 0.39 -1.31 1.49 -1.08 0.00 0.00 179.45 179.00 1fjc h GLU 35 N 0.00 0.32 0.22 3.15 4.57 0.91 -0.15 114.58 123.61 1fjc h GLU 35 Ca -0.00 -0.55 -0.35 0.00 -1.18 0.00 0.00 59.36 57.28 1fjc h GLU 35 Cb 1.07 0.21 0.02 0.00 -0.16 0.00 0.00 28.75 29.89 1fjc h GLU 35 CO 0.05 1.26 -1.65 0.28 -1.18 0.00 0.00 179.01 177.77 1fjc h VAL 36 N 0.09 1.08 -0.84 0.32 2.07 -0.82 -3.33 116.25 114.81 1fjc h VAL 36 Ca -0.16 -2.59 -0.52 0.00 0.82 0.00 0.00 66.70 64.24 1fjc h VAL 36 Cb 2.02 2.88 -0.28 0.00 -1.52 0.00 0.00 31.29 34.38 1fjc h VAL 36 CO 0.22 0.84 0.41 0.49 0.02 0.00 0.00 177.57 179.54 1fjc n PHE 37 N -3.64 2.71 0.26 1.57 3.72 0.19 -4.67 117.46 117.60 1fjc n PHE 37 Ca -0.22 -2.30 0.13 0.00 -0.05 0.00 0.00 57.45 55.01 1fjc n PHE 37 Cb 1.09 -0.98 0.67 0.00 -0.94 0.00 0.00 39.48 39.33 1fjc n PHE 37 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1fjc h GLU 38 N 1.53 0.00 -0.01 -1.08 4.11 -1.13 0.55 114.58 118.55 1fjc h GLU 38 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.94 1fjc h GLU 38 Cb 1.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.94 1fjc h GLU 38 CO 1.11 0.00 -0.01 -3.47 0.07 0.00 0.00 179.01 176.71 1fjc n ASP 39 N -2.56 1.01 -4.90 3.06 2.03 -1.26 -4.88 116.55 109.06 1fjc n ASP 39 Ca -0.02 -1.31 -0.21 0.00 0.52 0.00 0.00 54.79 53.77 1fjc n ASP 39 Cb 0.29 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.75 1fjc n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fjc s ALA 40 N -2.02 3.94 -0.07 -1.67 0.00 0.19 -4.19 121.76 117.93 1fjc s ALA 40 Ca 0.40 -1.52 -0.25 0.00 0.00 0.00 0.00 51.96 50.59 1fjc s ALA 40 Cb 0.21 -1.99 -0.24 0.00 0.00 0.00 0.00 23.12 21.10 1fjc s ALA 40 CO 0.35 -0.93 0.99 -0.07 0.00 0.00 0.00 175.76 176.09 1fjc h LEU 41 N -0.06 0.17 -7.65 0.00 3.38 -0.09 -3.44 115.31 107.61 1fjc h LEU 41 Ca -0.39 -0.81 0.09 0.00 0.09 0.00 0.00 57.88 56.85 1fjc h LEU 41 Cb 1.29 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.91 1fjc h LEU 41 CO 0.48 0.95 0.31 -1.61 0.09 0.00 0.00 178.44 178.66 1fjc s GLU 42 N -2.99 1.46 0.02 1.13 2.02 -0.93 -5.03 118.70 114.38 1fjc s GLU 42 Ca -0.16 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.09 1fjc s GLU 42 Cb 0.00 0.53 -0.01 0.00 0.10 0.00 0.00 34.13 34.75 1fjc s GLU 42 CO 0.73 -0.66 -0.05 0.42 0.02 0.00 0.00 175.26 175.72 1fjc s ILE 43 N -3.66 0.32 0.36 -1.63 1.01 -1.26 -1.15 121.20 115.19 1fjc s ILE 43 Ca 0.09 -0.57 0.09 0.00 0.00 0.00 0.00 60.65 60.26 1fjc s ILE 43 Cb -0.03 -0.35 -0.07 0.00 0.01 0.00 0.00 42.46 42.02 1fjc s ILE 43 CO 0.01 -0.17 -0.06 -0.13 0.00 0.00 0.00 174.94 174.59 1fjc s ARG 44 N -0.79 1.89 0.34 2.79 1.81 0.78 -4.89 118.95 120.88 1fjc s ARG 44 Ca -0.05 -1.94 0.08 0.00 -1.72 0.00 0.00 55.73 52.10 1fjc s ARG 44 Cb -0.06 -1.73 -0.04 0.00 -0.45 0.00 0.00 34.95 32.67 1fjc s ARG 44 CO -0.00 0.10 0.16 -1.17 -0.68 0.00 0.00 175.30 173.71 1fjc s LEU 45 N -3.65 3.31 -0.23 2.53 2.96 -1.26 0.12 118.68 122.46 1fjc s LEU 45 Ca 0.33 -0.72 -0.12 0.00 -0.22 0.00 0.00 54.13 53.40 1fjc s LEU 45 Cb 0.03 -1.81 0.08 0.00 0.50 0.00 0.00 46.19 44.99 1fjc s LEU 45 CO 0.17 -0.29 0.55 -0.69 -1.32 0.00 0.00 176.35 174.77 1fjc s VAL 46 N -2.40 -0.18 0.00 1.68 1.01 0.75 -4.47 120.40 116.78 1fjc s VAL 46 Ca 0.38 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1fjc s VAL 46 Cb -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1fjc s VAL 46 CO 0.23 0.02 0.00 -1.20 0.00 0.00 0.00 175.10 174.15 1fjc n SER 47 N 4.53 0.16 -0.12 3.32 7.64 -1.26 -0.29 113.62 127.60 1fjc n SER 47 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1fjc n SER 47 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1fjc n SER 47 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1fjc n GLN 48 N 0.00 3.32 0.08 1.43 7.27 0.20 -4.63 117.38 125.04 1fjc n GLN 48 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.17 1fjc n GLN 48 Cb 0.00 0.00 0.42 0.00 2.41 0.00 0.00 30.24 33.07 1fjc n GLN 48 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1fjc n ASP 49 N 0.00 0.40 0.00 1.69 8.00 -1.26 -4.36 116.55 121.02 1fjc n ASP 49 Ca 0.00 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.10 1fjc n ASP 49 Cb 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 1fjc n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fjc n GLY 50 N -0.08 0.00 3.64 0.44 0.00 -1.26 -5.16 105.19 102.77 1fjc n GLY 50 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1fjc n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fjc s LYS 51 N 0.00 0.64 -0.03 1.61 -2.85 -1.26 -5.12 119.74 112.73 1fjc s LYS 51 Ca 0.00 0.90 -0.40 0.00 -1.00 0.00 0.00 55.97 55.46 1fjc s LYS 51 Cb 0.00 0.24 -0.20 0.00 -2.06 0.00 0.00 37.83 35.81 1fjc s LYS 51 CO 0.00 -0.10 1.13 0.45 0.10 0.00 0.00 175.35 176.93 1fjc n SER 52 N 3.18 0.22 -0.00 0.03 2.88 -1.26 -0.63 113.62 118.04 1fjc n SER 52 Ca -0.16 1.16 0.02 0.00 -1.33 0.00 0.00 58.87 58.55 1fjc n SER 52 Cb 0.57 -0.94 -0.02 0.00 -0.75 0.00 0.00 64.21 63.06 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 0.71 -0.05 -1.46 3.00 -1.25 -4.62 118.16 116.25 1fjc n LYS 53 Ca 0.21 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1fjc n LYS 53 Cb 0.08 -1.03 0.00 0.00 0.00 0.00 0.00 35.03 34.08 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 2.18 1.35 3.61 3.14 0.00 -1.23 -4.71 105.19 109.53 1fjc n GLY 54 Ca -0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 3.13 -0.16 -0.61 1.01 0.60 -0.79 121.20 122.37 1fjc s ILE 55 Ca 0.00 -2.01 -0.30 0.00 0.00 0.00 0.00 60.65 58.34 1fjc s ILE 55 Cb 0.00 -2.74 0.12 0.00 0.01 0.00 0.00 42.46 39.86 1fjc s ILE 55 CO 0.00 -0.35 0.99 0.00 0.00 0.00 0.00 174.94 175.58 1fjc s ALA 56 N -2.39 -1.93 0.12 9.38 0.00 0.55 0.26 121.76 127.75 1fjc s ALA 56 Ca 0.32 1.60 -0.11 0.00 0.00 0.00 0.00 51.96 53.76 1fjc s ALA 56 Cb -0.05 -0.74 -0.06 0.00 0.00 0.00 0.00 23.12 22.27 1fjc s ALA 56 CO 0.19 -0.31 0.47 0.71 0.00 0.00 0.00 175.76 176.83 1fjc s TYR 57 N -1.00 3.58 -0.05 0.00 2.02 0.32 0.27 117.35 122.48 1fjc s TYR 57 Ca -0.02 0.90 -0.01 0.00 -0.37 0.00 0.00 57.07 57.56 1fjc s TYR 57 Cb -0.01 -2.25 0.03 0.00 -0.40 0.00 0.00 41.96 39.33 1fjc s TYR 57 CO 0.01 0.46 0.03 0.42 -1.57 0.00 0.00 175.55 174.90 1fjc s ILE 58 N -1.47 0.14 -0.26 2.71 1.01 0.19 0.28 121.20 123.80 1fjc s ILE 58 Ca 0.36 0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.27 1fjc s ILE 58 Cb -0.14 -0.33 0.05 0.00 0.01 0.00 0.00 42.46 42.04 1fjc s ILE 58 CO 0.19 0.21 -0.07 -1.83 0.00 0.00 0.00 174.94 173.44 1fjc s GLU 59 N 1.95 2.51 0.77 2.79 -1.05 -0.30 0.17 118.70 125.54 1fjc s GLU 59 Ca 0.03 -1.19 -0.05 0.00 -0.15 0.00 0.00 54.97 53.62 1fjc s GLU 59 Cb -0.12 -2.97 0.13 0.00 -0.44 0.00 0.00 34.13 30.73 1fjc s GLU 59 CO -0.04 -0.51 1.06 -0.06 0.95 0.00 0.00 175.26 176.66 1fjc s PHE 60 N 1.22 1.77 -0.15 4.83 0.40 0.71 0.55 117.98 127.30 1fjc s PHE 60 Ca -0.04 -0.06 0.27 0.00 -0.60 0.00 0.00 56.93 56.49 1fjc s PHE 60 Cb -0.18 -3.26 0.77 0.00 0.51 0.00 0.00 43.02 40.86 1fjc s PHE 60 CO -0.04 -1.86 1.76 -0.22 0.70 0.00 0.00 175.22 175.56 1fjc h LYS 61 N -0.76 0.00 -2.54 0.44 3.64 -1.79 -3.39 116.57 112.17 1fjc h LYS 61 Ca -0.39 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.07 1fjc h LYS 61 Cb 1.27 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.96 1fjc h LYS 61 CO 0.42 0.06 0.39 -1.12 -2.27 0.00 0.00 179.45 176.94 1fjc s SER 62 N -6.03 -0.39 0.34 4.20 0.01 -1.26 -4.99 113.70 105.57 1fjc s SER 62 Ca 0.04 -0.09 0.07 0.00 1.31 0.00 0.00 55.95 57.27 1fjc s SER 62 Cb 0.07 0.48 0.74 0.00 0.21 0.00 0.00 66.02 67.53 1fjc s SER 62 CO 0.62 -0.81 1.86 -0.08 0.41 0.00 0.00 173.24 175.25 1fjc h GLU 63 N 2.00 0.76 -0.71 12.44 4.81 -1.87 0.76 114.58 132.78 1fjc h GLU 63 Ca -0.26 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 1fjc h GLU 63 Cb 1.26 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 1fjc h GLU 63 CO 0.32 0.50 0.27 0.00 -0.73 0.00 0.00 179.01 179.37 1fjc h ALA 64 N 1.58 1.15 0.26 2.92 0.00 -1.95 1.89 119.26 125.11 1fjc h ALA 64 Ca 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1fjc h ALA 64 Cb 0.63 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1fjc h ALA 64 CO -0.22 0.61 -0.12 -0.44 0.00 0.00 0.00 179.25 179.08 1fjc h ASP 65 N 1.02 -0.29 -0.59 0.00 5.19 -1.30 1.49 116.42 121.93 1fjc h ASP 65 Ca 0.24 -0.22 -0.05 0.00 -0.62 0.00 0.00 57.03 56.37 1fjc h ASP 65 Cb 0.21 0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.77 1fjc h ASP 65 CO -0.02 0.11 0.19 0.00 -3.12 0.00 0.00 179.24 176.40 1fjc h ALA 66 N -0.17 1.15 -0.12 3.45 0.00 -0.95 -0.27 119.26 122.34 1fjc h ALA 66 Ca -0.04 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 1fjc h ALA 66 Cb 0.50 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1fjc h ALA 66 CO 0.06 0.59 -0.68 1.49 0.00 0.00 0.00 179.25 180.70 1fjc h GLU 67 N 0.93 0.68 -0.84 0.00 4.81 0.30 -0.32 114.58 120.14 1fjc h GLU 67 Ca 0.21 -0.57 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 1fjc h GLU 67 Cb 0.28 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1fjc h GLU 67 CO -0.01 1.18 0.40 -0.22 -0.73 0.00 0.00 179.01 179.64 1fjc h LYS 68 N 0.36 1.21 -0.05 1.92 1.63 0.24 0.14 116.57 122.01 1fjc h LYS 68 Ca -0.05 -0.18 -0.05 0.00 -0.85 0.00 0.00 60.65 59.52 1fjc h LYS 68 Cb 1.32 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1fjc h LYS 68 CO 0.14 0.93 -0.16 -0.91 -3.45 0.00 0.00 179.45 175.99 1fjc h ASN 69 N 1.19 0.23 -0.76 4.20 2.35 -1.04 0.41 115.58 122.17 1fjc h ASN 69 Ca 0.29 -0.62 0.04 0.00 -0.55 0.00 0.00 56.30 55.46 1fjc h ASN 69 Cb 0.12 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 1fjc h ASN 69 CO -0.04 0.81 0.50 0.25 -1.65 0.00 0.00 177.43 177.30 1fjc h LEU 70 N -0.34 0.77 0.00 1.61 5.85 -0.88 -0.68 115.31 121.63 1fjc h LEU 70 Ca -0.01 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 1fjc h LEU 70 Cb 0.79 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1fjc h LEU 70 CO 0.03 0.52 -1.18 1.05 -0.34 0.00 0.00 178.44 178.52 1fjc h GLU 71 N 0.88 0.00 -0.03 1.25 -0.00 -0.96 -0.71 114.58 115.01 1fjc h GLU 71 Ca 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.66 1fjc h GLU 71 Cb 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.87 1fjc h GLU 71 CO -0.10 0.35 -0.03 1.49 -0.00 0.00 0.00 179.01 180.72 1fjc h GLU 72 N 0.00 0.08 0.00 1.06 4.57 0.63 -3.41 114.58 117.51 1fjc h GLU 72 Ca -0.12 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 57.99 1fjc h GLU 72 Cb 1.53 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 30.07 1fjc h GLU 72 CO 0.05 0.55 -0.37 0.36 -1.18 0.00 0.00 179.01 178.43 1fjc n LYS 73 N -4.79 0.00 0.00 1.92 2.85 -0.34 -5.03 118.16 112.77 1fjc n LYS 73 Ca -0.08 -0.76 0.00 0.00 -1.05 0.00 0.00 58.31 56.42 1fjc n LYS 73 Cb 0.28 -0.18 0.00 0.00 -0.65 0.00 0.00 35.03 34.48 1fjc n LYS 73 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1fjc n GLN 74 N 0.06 0.00 -0.55 -1.58 -0.06 -0.27 0.25 117.38 115.23 1fjc n GLN 74 Ca -0.02 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.03 1fjc n GLN 74 Cb 0.68 0.00 0.20 0.00 -4.06 0.00 0.00 30.24 27.06 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 0.00 5.02 2.06 1.69 0.00 0.27 -4.54 105.19 109.70 1fjc n GLY 75 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.15 -1.73 -1.55 4.61 0.00 0.70 -0.91 120.51 120.47 1fjc n ALA 76 Ca 0.21 0.37 -0.20 0.00 0.00 0.00 0.00 53.44 53.82 1fjc n ALA 76 Cb 0.75 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 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 1.88 0.66 -4.45 0.00 4.07 -1.26 -3.18 120.64 118.36 1fjc n GLU 77 Ca 0.00 -0.57 -0.24 0.00 -0.06 0.00 0.00 57.16 56.29 1fjc n GLU 77 Cb 0.00 -3.48 -0.08 0.00 -0.06 0.00 0.00 31.44 27.83 1fjc n GLU 77 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1fjc s ILE 78 N 13.42 0.35 -0.42 6.31 1.01 0.64 -4.66 121.20 137.86 1fjc s ILE 78 Ca 0.97 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1fjc s ILE 78 Cb -0.20 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 39.92 1fjc s ILE 78 CO 0.16 0.00 0.00 -0.67 0.00 0.00 0.00 174.94 174.43 1fjc n ASP 79 N -1.48 -2.08 -0.60 3.58 2.03 -1.26 0.26 116.55 117.00 1fjc n ASP 79 Ca -0.02 0.36 -0.06 0.00 0.52 0.00 0.00 54.79 55.60 1fjc n ASP 79 Cb 0.64 -1.88 -0.01 0.00 -0.72 0.00 0.00 41.12 39.15 1fjc n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fjc n GLY 80 N -0.58 0.28 0.00 0.27 0.00 -1.26 -4.99 105.19 98.90 1fjc n GLY 80 Ca -0.06 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.80 0.00 -2.65 1.61 1.85 0.71 -5.14 116.66 111.24 1fjc n ARG 81 Ca -0.06 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.38 1fjc n ARG 81 Cb 0.48 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.84 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 7.43 0.75 2.89 1.04 -1.26 -0.26 113.70 124.30 1fjc s SER 82 Ca 0.00 1.93 -0.11 0.00 0.48 0.00 0.00 55.95 58.25 1fjc s SER 82 Cb 0.00 -2.60 0.05 0.00 0.10 0.00 0.00 66.02 63.57 1fjc s SER 82 CO 0.00 -0.09 1.09 -0.69 0.98 0.00 0.00 173.24 174.53 1fjc s VAL 83 N -0.28 3.33 -0.16 5.02 1.01 -0.09 -4.66 120.40 124.56 1fjc s VAL 83 Ca 0.47 0.46 -0.08 0.00 0.00 0.00 0.00 61.98 62.83 1fjc s VAL 83 Cb -0.26 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1fjc s VAL 83 CO 0.32 -0.54 0.11 -0.44 0.00 0.00 0.00 175.10 174.56 1fjc s SER 84 N -3.27 6.10 -0.25 3.32 0.01 -0.07 0.97 113.70 120.50 1fjc s SER 84 Ca 0.62 0.29 -0.08 0.00 1.31 0.00 0.00 55.95 58.08 1fjc s SER 84 Cb -0.18 -2.01 -0.03 0.00 0.21 0.00 0.00 66.02 64.01 1fjc s SER 84 CO 0.54 0.28 0.10 -0.76 0.41 0.00 0.00 173.24 173.80 1fjc s LEU 85 N -0.24 3.59 -0.55 2.44 1.43 -1.26 0.11 118.68 124.20 1fjc s LEU 85 Ca 0.10 -0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 1fjc s LEU 85 Cb -0.12 -1.97 0.13 0.00 0.03 0.00 0.00 46.19 44.27 1fjc s LEU 85 CO 0.01 -0.03 0.49 -0.31 0.23 0.00 0.00 176.35 176.74 1fjc s TYR 86 N 1.60 3.31 0.14 0.29 1.51 0.80 -4.85 117.35 120.15 1fjc s TYR 86 Ca 0.06 -1.42 -0.02 0.00 -1.01 0.00 0.00 57.07 54.68 1fjc s TYR 86 Cb -0.15 -3.76 0.03 0.00 -0.11 0.00 0.00 41.96 37.97 1fjc s TYR 86 CO 0.05 -1.01 0.07 0.98 -1.11 0.00 0.00 175.55 174.53 1fjc n TYR 87 N 5.12 -1.48 -1.94 2.71 4.19 -1.26 0.26 117.16 124.76 1fjc n TYR 87 Ca -0.11 -0.04 -0.04 0.00 3.31 0.00 0.00 57.90 61.03 1fjc n TYR 87 Cb 0.40 -0.17 -0.02 0.00 0.49 0.00 0.00 39.34 40.05 1fjc n TYR 87 CO 0.00 0.00 0.00 0.25 0.91 0.00 0.00 176.86 178.02 1fjc n THR 88 N -2.91 0.00 -0.62 2.97 -2.24 -1.11 -4.25 114.28 106.12 1fjc n THR 88 Ca 0.01 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1fjc n THR 88 Cb 0.05 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1fjc n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fjc n GLY 89 N -0.17 -0.25 1.41 3.38 0.00 -1.11 -4.47 105.19 103.98 1fjc n GLY 89 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.07 0.00 0.00 1.61 2.13 -1.26 -4.53 120.64 118.51 1fjc n GLU 90 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1fjc n GLU 90 Cb 0.25 -0.04 0.00 0.00 0.27 0.00 0.00 31.44 31.92 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 -2.64 0.00 0.00 5.31 4.81 -1.26 -4.98 118.16 119.40 1fjc n LYS 91 Ca 0.00 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1fjc n LYS 91 Cb 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 35.03 34.45 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 1.73 -2.63 0.01 3.14 0.00 -1.26 -4.91 105.19 101.27 1fjc n GLY 92 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1fjc n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjc n GLY 93 N 0.00 -0.01 0.10 -0.02 0.00 -1.26 -4.51 105.19 99.49 1fjc n GLY 93 Ca 0.00 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 0.76 -1.46 2.61 -1.04 -1.26 -4.94 114.28 108.95 1fjc n THR 94 Ca 0.00 -0.59 -0.55 0.00 -2.04 0.00 0.00 64.05 60.87 1fjc n THR 94 Cb 0.00 -0.44 -0.06 0.00 -1.82 0.00 0.00 70.33 68.01 1fjc n THR 94 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1fjc n ARG 95 N -2.72 0.00 0.00 -2.82 0.63 -1.26 -5.32 116.66 105.18 1fjc n ARG 95 Ca -0.03 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 56.99 1fjc n ARG 95 Cb 0.64 -1.33 0.08 0.00 0.45 0.00 0.00 32.46 32.31 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53