#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 0.15 -2.35 0.66 -0.00 -1.26 -4.92 115.22 107.50 1fjc n HIS 2 Ca 0.00 -0.08 -0.40 0.00 -0.00 0.00 0.00 57.72 57.24 1fjc n HIS 2 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 1fjc n HIS 2 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1fjc s MET 3 N -1.85 4.51 0.87 -1.40 1.00 -1.26 -5.01 119.30 116.16 1fjc s MET 3 Ca 0.34 1.93 -0.11 0.00 0.00 0.00 0.00 55.69 57.85 1fjc s MET 3 Cb 0.20 -3.11 0.11 0.00 0.00 0.00 0.00 34.83 32.03 1fjc s MET 3 CO 0.30 0.05 1.09 -0.51 0.00 0.00 0.00 175.02 175.95 1fjc s LEU 4 N -1.65 2.39 -0.07 -0.03 1.43 -1.26 -5.05 118.68 114.45 1fjc s LEU 4 Ca 0.47 1.50 0.03 0.00 -1.03 0.00 0.00 54.13 55.09 1fjc s LEU 4 Cb -0.34 -3.98 0.01 0.00 0.03 0.00 0.00 46.19 41.91 1fjc s LEU 4 CO 0.44 -2.47 -0.15 -0.70 0.23 0.00 0.00 176.35 173.70 1fjc s GLU 5 N -4.96 1.91 0.00 1.70 2.12 -1.26 -5.05 118.70 113.15 1fjc s GLU 5 Ca 0.63 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 55.44 1fjc s GLU 5 Cb -0.17 -1.56 0.00 0.00 0.26 0.00 0.00 34.13 32.66 1fjc s GLU 5 CO 0.56 0.09 0.00 -3.47 -0.54 0.00 0.00 175.26 171.91 1fjc n ASP 6 N 3.63 0.00 -0.94 -1.70 -0.08 -1.26 -5.01 116.55 111.18 1fjc n ASP 6 Ca -0.21 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.05 1fjc n ASP 6 Cb 0.52 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.02 1fjc n ASP 6 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1fjc n PRO 7 N 0.00 1.33 0.00 -0.67 -0.04 -1.26 -3.74 135.00 130.62 1fjc n PRO 7 Ca 0.00 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 1fjc n PRO 7 Cb 0.00 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 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 0.00 0.45 -7.08 0.00 2.02 -2.01 -3.45 112.91 102.83 1fjc h THR 9 Ca 0.00 -0.09 -0.62 0.00 0.77 0.00 0.00 66.41 66.47 1fjc h THR 9 Cb 0.00 0.49 -0.21 0.00 -1.74 0.00 0.00 68.15 66.68 1fjc h THR 9 CO 0.00 0.02 -0.96 -0.24 0.37 0.00 0.00 175.52 174.70 1fjc n SER 10 N -5.39 0.76 0.00 4.18 2.88 -1.25 -4.88 113.62 109.94 1fjc n SER 10 Ca -0.12 -1.27 0.00 0.00 -1.33 0.00 0.00 58.87 56.15 1fjc n SER 10 Cb 0.32 -1.64 0.00 0.00 -0.75 0.00 0.00 64.21 62.14 1fjc n SER 10 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1fjc n LYS 11 N -4.56 0.00 -0.00 -1.46 4.81 -1.26 -3.67 118.16 112.02 1fjc n LYS 11 Ca -0.30 0.08 0.07 0.00 -0.87 0.00 0.00 58.31 57.28 1fjc n LYS 11 Cb 0.69 -0.40 0.39 0.00 0.02 0.00 0.00 35.03 35.72 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 -1.42 1.03 -0.03 1.64 5.02 -1.26 -2.91 118.16 120.23 1fjc n LYS 12 Ca 0.00 -0.05 0.05 0.00 -2.02 0.00 0.00 58.31 56.29 1fjc n LYS 12 Cb 0.00 -1.21 -0.16 0.00 -0.02 0.00 0.00 35.03 33.64 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 -0.66 0.33 0.04 -0.18 0.31 -1.26 -4.27 118.33 112.64 1fjc n VAL 13 Ca 0.10 -0.55 -0.08 0.00 -0.01 0.00 0.00 64.34 63.79 1fjc n VAL 13 Cb 0.06 -0.10 -0.13 0.00 -0.91 0.00 0.00 33.84 32.76 1fjc n VAL 13 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1fjc h ARG 14 N 0.00 0.03 0.00 5.55 1.12 -1.60 -3.24 114.38 116.23 1fjc h ARG 14 Ca -0.13 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.69 1fjc h ARG 14 Cb 1.25 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.23 1fjc h ARG 14 CO 0.01 0.91 0.00 0.00 -3.11 0.00 0.00 179.97 177.77 1fjc h ALA 15 N 0.95 1.00 -0.03 2.80 0.00 -1.75 -3.10 119.26 119.14 1fjc h ALA 15 Ca -0.09 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1fjc h ALA 15 Cb 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1fjc h ALA 15 CO 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 179.25 179.12 1fjc h ALA 16 N 2.16 0.07 -0.28 0.00 0.00 -1.74 0.28 119.26 119.75 1fjc h ALA 16 Ca 0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1fjc h ALA 16 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1fjc h ALA 16 CO 0.00 0.10 0.08 2.89 0.00 0.00 0.00 179.25 182.31 1fjc n ARG 17 N -4.50 2.24 -4.54 0.00 1.85 -1.19 -4.27 116.66 106.24 1fjc n ARG 17 Ca -0.09 -1.24 -0.21 0.00 -1.00 0.00 0.00 57.85 55.31 1fjc n ARG 17 Cb 0.48 -1.71 -0.15 0.00 -1.05 0.00 0.00 32.46 30.04 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 -1.59 0.98 0.06 8.89 2.01 -1.18 0.24 115.64 125.05 1fjc s THR 18 Ca 0.22 -0.55 -0.09 0.00 0.31 0.00 0.00 61.69 61.58 1fjc s THR 18 Cb 0.17 -0.82 -0.00 0.00 0.01 0.00 0.00 72.50 71.86 1fjc s THR 18 CO 0.06 0.26 0.18 -1.48 -0.69 0.00 0.00 174.62 172.95 1fjc s LEU 19 N -0.33 1.44 -0.19 4.42 0.05 0.39 -2.12 118.68 122.34 1fjc s LEU 19 Ca 0.05 -0.49 -0.08 0.00 0.05 0.00 0.00 54.13 53.67 1fjc s LEU 19 Cb -0.05 0.94 -0.04 0.00 -2.05 0.00 0.00 46.19 44.99 1fjc s LEU 19 CO -0.00 -0.61 0.07 -0.22 -0.55 0.00 0.00 176.35 175.03 1fjc s LEU 20 N -2.36 3.82 0.02 1.48 2.96 0.74 0.11 118.68 125.44 1fjc s LEU 20 Ca -0.02 0.08 -0.21 0.00 -0.22 0.00 0.00 54.13 53.76 1fjc s LEU 20 Cb 0.01 -1.97 -0.06 0.00 0.50 0.00 0.00 46.19 44.68 1fjc s LEU 20 CO -0.06 0.17 0.63 0.00 -1.32 0.00 0.00 176.35 175.76 1fjc s ALA 21 N 0.41 3.47 0.39 5.97 0.00 0.82 0.27 121.76 133.09 1fjc s ALA 21 Ca 0.03 0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.12 1fjc s ALA 21 Cb -0.12 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 1fjc s ALA 21 CO 0.00 0.17 0.07 0.21 0.00 0.00 0.00 175.76 176.21 1fjc s LYS 22 N -0.28 1.86 -1.65 0.00 2.20 -0.15 0.44 119.74 122.16 1fjc s LYS 22 Ca 0.32 -2.10 0.00 0.00 -0.36 0.00 0.00 55.97 53.84 1fjc s LYS 22 Cb -0.19 -0.98 0.00 0.00 -1.51 0.00 0.00 37.83 35.15 1fjc s LYS 22 CO 0.19 -0.29 0.00 -1.71 -0.36 0.00 0.00 175.35 173.18 1fjc n ASN 23 N -1.00 -5.40 -4.66 1.43 5.15 -0.75 -0.58 115.26 109.45 1fjc n ASN 23 Ca -0.06 0.38 -0.42 0.00 -0.60 0.00 0.00 54.58 53.88 1fjc n ASN 23 Cb 0.66 -4.40 -0.03 0.00 -0.53 0.00 0.00 39.78 35.49 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 -3.60 4.26 0.09 1.20 1.43 0.40 -4.53 118.68 117.94 1fjc s LEU 24 Ca 0.00 2.15 -0.36 0.00 -1.03 0.00 0.00 54.13 54.89 1fjc s LEU 24 Cb 0.00 -3.53 -0.17 0.00 0.03 0.00 0.00 46.19 42.52 1fjc s LEU 24 CO 0.00 -0.96 1.25 -1.20 0.23 0.00 0.00 176.35 175.67 1fjc n SER 25 N 7.29 1.26 -0.13 2.29 7.64 -1.26 -3.33 113.62 127.38 1fjc n SER 25 Ca 0.17 1.13 0.28 0.00 1.01 0.00 0.00 58.87 61.46 1fjc n SER 25 Cb 0.43 -1.14 0.63 0.00 -1.01 0.00 0.00 64.21 63.12 1fjc n SER 25 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1fjc h PHE 26 N 4.03 0.00 0.00 1.43 0.04 -1.90 1.46 116.94 122.00 1fjc h PHE 26 Ca -0.47 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.20 1fjc h PHE 26 Cb 1.35 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.49 1fjc h PHE 26 CO 0.58 0.00 -0.50 -0.97 -0.60 0.00 0.00 178.31 176.82 1fjc h ASN 27 N 0.00 0.00 -4.18 2.17 -0.00 -1.93 -3.46 115.58 108.18 1fjc h ASN 27 Ca 0.41 0.00 -0.48 0.00 -0.00 0.00 0.00 56.30 56.23 1fjc h ASN 27 Cb 2.14 0.00 0.13 0.00 -0.00 0.00 0.00 38.32 40.59 1fjc h ASN 27 CO -0.00 0.44 0.29 -0.51 -0.00 0.00 0.00 177.43 177.64 1fjc s ILE 28 N -2.99 2.80 0.18 2.57 2.07 0.50 -5.06 121.20 121.26 1fjc s ILE 28 Ca 0.04 0.26 -0.05 0.00 -1.41 0.00 0.00 60.65 59.48 1fjc s ILE 28 Cb 0.07 -2.88 0.02 0.00 0.13 0.00 0.00 42.46 39.81 1fjc s ILE 28 CO 0.74 -0.34 0.33 0.35 -1.91 0.00 0.00 174.94 174.12 1fjc n THR 29 N -3.67 0.00 -0.25 4.00 -2.24 -1.26 -4.87 114.28 105.97 1fjc n THR 29 Ca 0.07 -0.56 0.19 0.00 -2.27 0.00 0.00 64.05 61.48 1fjc n THR 29 Cb 0.56 0.48 0.50 0.00 -2.10 0.00 0.00 70.33 69.76 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 0.42 0.13 -0.78 4.81 -1.91 0.01 114.58 117.27 1fjc h GLU 30 Ca -0.15 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.07 1fjc h GLU 30 Cb 0.57 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1fjc h GLU 30 CO 0.19 0.28 -0.35 0.22 -0.73 0.00 0.00 179.01 178.62 1fjc h ASP 31 N 0.44 -1.03 -0.24 1.04 1.82 -1.96 2.18 116.42 118.67 1fjc h ASP 31 Ca 0.48 0.12 -0.05 0.00 -0.39 0.00 0.00 57.03 57.19 1fjc h ASP 31 Cb 1.16 0.39 -0.02 0.00 0.68 0.00 0.00 39.33 41.54 1fjc h ASP 31 CO -0.19 -0.44 -0.01 -0.33 -1.61 0.00 0.00 179.24 176.66 1fjc h GLU 32 N -0.59 0.55 0.00 0.28 3.07 -1.56 0.33 114.58 116.65 1fjc h GLU 32 Ca 0.03 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.36 58.66 1fjc h GLU 32 Cb 0.62 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1fjc h GLU 32 CO -0.20 0.58 -0.51 -0.07 -1.40 0.00 0.00 179.01 177.40 1fjc h LEU 33 N 0.52 0.00 0.00 1.33 3.38 0.25 0.11 115.31 120.90 1fjc h LEU 33 Ca 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1fjc h LEU 33 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1fjc h LEU 33 CO 0.01 0.51 -0.66 0.11 0.09 0.00 0.00 178.44 178.50 1fjc h LYS 34 N 0.00 0.00 0.04 1.13 1.79 0.48 0.32 116.57 120.33 1fjc h LYS 34 Ca -0.01 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.23 1fjc h LYS 34 Cb 0.92 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.55 1fjc h LYS 34 CO 0.07 0.58 -1.09 1.49 -1.08 0.00 0.00 179.45 179.42 1fjc h GLU 35 N 0.00 0.09 0.17 3.15 4.81 0.12 -2.91 114.58 120.01 1fjc h GLU 35 Ca -0.02 -0.16 -0.33 0.00 -0.13 0.00 0.00 59.36 58.72 1fjc h GLU 35 Cb 1.47 0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.92 1fjc h GLU 35 CO 0.08 1.07 -1.67 0.28 -0.73 0.00 0.00 179.01 178.04 1fjc h VAL 36 N 0.03 0.96 -1.66 0.32 2.07 -0.80 -3.35 116.25 113.80 1fjc h VAL 36 Ca -0.05 -2.48 -0.72 0.00 0.82 0.00 0.00 66.70 64.26 1fjc h VAL 36 Cb 1.84 2.75 -0.27 0.00 -1.52 0.00 0.00 31.29 34.10 1fjc h VAL 36 CO 0.15 0.82 0.97 0.49 0.02 0.00 0.00 177.57 180.03 1fjc n PHE 37 N -3.67 2.93 0.15 1.57 3.72 0.10 -4.67 117.46 117.59 1fjc n PHE 37 Ca -0.25 -2.47 0.10 0.00 -0.05 0.00 0.00 57.45 54.78 1fjc n PHE 37 Cb 1.03 -1.26 0.51 0.00 -0.94 0.00 0.00 39.48 38.82 1fjc n PHE 37 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1fjc n GLU 38 N -0.53 0.12 -0.01 -1.08 2.13 -1.10 -0.24 120.64 119.93 1fjc n GLU 38 Ca 0.55 0.61 0.14 0.00 0.66 0.00 0.00 57.16 59.13 1fjc n GLU 38 Cb 0.36 -1.94 0.57 0.00 0.27 0.00 0.00 31.44 30.70 1fjc n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1fjc n ASP 39 N -2.16 1.24 -4.99 4.31 2.03 -1.26 -4.88 116.55 110.83 1fjc n ASP 39 Ca -0.01 -1.44 -0.19 0.00 0.52 0.00 0.00 54.79 53.67 1fjc n ASP 39 Cb 0.07 -0.01 0.03 0.00 -0.72 0.00 0.00 41.12 40.49 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 -1.97 4.42 -0.18 -1.67 0.00 0.66 -4.26 121.76 118.76 1fjc s ALA 40 Ca 0.39 -1.74 -0.17 0.00 0.00 0.00 0.00 51.96 50.44 1fjc s ALA 40 Cb 0.20 -1.69 -0.22 0.00 0.00 0.00 0.00 23.12 21.42 1fjc s ALA 40 CO 0.33 -0.58 0.27 -0.07 0.00 0.00 0.00 175.76 175.71 1fjc h LEU 41 N 0.36 0.15 -7.45 0.00 3.38 -1.14 -3.45 115.31 107.16 1fjc h LEU 41 Ca -0.38 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 56.90 1fjc h LEU 41 Cb 1.28 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.87 1fjc h LEU 41 CO 0.45 1.62 0.00 -1.61 0.09 0.00 0.00 178.44 178.99 1fjc s GLU 42 N -2.43 1.22 0.01 1.13 2.02 -1.04 -5.04 118.70 114.57 1fjc s GLU 42 Ca -0.27 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 53.99 1fjc s GLU 42 Cb 0.06 0.50 -0.01 0.00 0.10 0.00 0.00 34.13 34.78 1fjc s GLU 42 CO 0.65 -0.50 -0.03 0.42 0.02 0.00 0.00 175.26 175.82 1fjc s ILE 43 N -3.82 0.15 0.37 -1.63 1.01 -1.26 -1.13 121.20 114.89 1fjc s ILE 43 Ca 0.05 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.18 1fjc s ILE 43 Cb 0.00 -0.23 -0.06 0.00 0.01 0.00 0.00 42.46 42.18 1fjc s ILE 43 CO -0.09 -0.29 0.07 -0.60 0.00 0.00 0.00 174.94 174.04 1fjc s ARG 44 N -0.93 2.12 0.36 2.79 6.06 0.48 -4.88 118.95 124.95 1fjc s ARG 44 Ca -0.09 -1.83 0.08 0.00 -2.50 0.00 0.00 55.73 51.39 1fjc s ARG 44 Cb -0.06 -1.91 -0.05 0.00 0.06 0.00 0.00 34.95 32.98 1fjc s ARG 44 CO -0.00 0.02 0.06 -1.17 -2.50 0.00 0.00 175.30 171.71 1fjc s LEU 45 N -3.78 3.03 -0.21 -0.88 0.20 -1.26 0.95 118.68 116.72 1fjc s LEU 45 Ca 0.37 -1.01 -0.11 0.00 0.69 0.00 0.00 54.13 54.07 1fjc s LEU 45 Cb 0.03 -1.38 0.07 0.00 -0.43 0.00 0.00 46.19 44.48 1fjc s LEU 45 CO 0.20 -0.32 0.51 -0.69 -0.29 0.00 0.00 176.35 175.76 1fjc s VAL 46 N -2.54 -0.19 0.00 1.68 1.01 0.81 -4.56 120.40 116.62 1fjc s VAL 46 Ca 0.36 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1fjc s VAL 46 Cb 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1fjc s VAL 46 CO 0.20 0.03 0.00 -1.54 0.00 0.00 0.00 175.10 173.79 1fjc n SER 47 N 4.55 1.91 0.00 3.32 3.41 -1.26 -0.40 113.62 125.15 1fjc n SER 47 Ca -0.19 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1fjc n SER 47 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1fjc n SER 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fjc n GLN 48 N 0.00 3.40 -0.27 4.33 10.64 -1.26 -4.61 117.38 129.61 1fjc n GLN 48 Ca 0.00 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1fjc n GLN 48 Cb 0.00 -0.96 -0.00 0.00 -0.86 0.00 0.00 30.24 28.42 1fjc n GLN 48 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1fjc n ASP 49 N -1.84 -0.05 0.00 2.61 9.92 -1.26 -5.00 116.55 120.93 1fjc n ASP 49 Ca 0.00 -0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 1fjc n ASP 49 Cb 0.42 0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 1fjc n ASP 49 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fjc n GLY 50 N 0.00 0.00 2.90 0.44 0.00 -1.26 -5.01 105.19 102.26 1fjc n GLY 50 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1fjc n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fjc n LYS 51 N 0.00 -2.39 -0.27 1.61 4.81 -1.26 -4.97 118.16 115.68 1fjc n LYS 51 Ca 0.00 2.09 0.00 0.00 -0.87 0.00 0.00 58.31 59.53 1fjc n LYS 51 Cb 0.00 -5.35 0.00 0.00 0.02 0.00 0.00 35.03 29.70 1fjc n LYS 51 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1fjc n SER 52 N -0.24 0.00 -0.49 3.14 2.88 -1.26 -4.87 113.62 112.77 1fjc n SER 52 Ca 0.10 -0.98 0.07 0.00 -1.33 0.00 0.00 58.87 56.73 1fjc n SER 52 Cb 0.46 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.96 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 0.00 1.34 -2.44 -1.46 4.81 -1.26 -4.73 118.16 114.42 1fjc n LYS 53 Ca 0.00 -1.15 -0.11 0.00 -0.87 0.00 0.00 58.31 56.18 1fjc n LYS 53 Cb 0.49 -1.26 -0.01 0.00 0.02 0.00 0.00 35.03 34.28 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 0.92 -0.49 3.91 3.14 0.00 -1.21 -4.21 105.19 107.24 1fjc n GLY 54 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.57 4.97 -0.19 -0.61 -1.09 0.47 0.15 121.20 122.33 1fjc s ILE 55 Ca 0.00 -1.05 -0.28 0.00 -2.23 0.00 0.00 60.65 57.09 1fjc s ILE 55 Cb 0.00 -3.65 0.12 0.00 -1.58 0.00 0.00 42.46 37.35 1fjc s ILE 55 CO 0.00 -0.26 0.97 0.00 -1.23 0.00 0.00 174.94 174.42 1fjc s ALA 56 N -1.94 -1.93 0.25 9.38 0.00 0.17 0.28 121.76 127.98 1fjc s ALA 56 Ca 0.33 1.67 -0.03 0.00 0.00 0.00 0.00 51.96 53.93 1fjc s ALA 56 Cb -0.09 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 1fjc s ALA 56 CO 0.27 -0.29 0.49 0.71 0.00 0.00 0.00 175.76 176.94 1fjc s TYR 57 N -0.64 3.48 -0.11 0.00 2.02 0.27 0.29 117.35 122.65 1fjc s TYR 57 Ca -0.01 0.53 -0.05 0.00 -0.37 0.00 0.00 57.07 57.17 1fjc s TYR 57 Cb -0.02 -2.01 0.05 0.00 -0.40 0.00 0.00 41.96 39.58 1fjc s TYR 57 CO -0.00 0.26 0.24 0.42 -1.57 0.00 0.00 175.55 174.90 1fjc s ILE 58 N -1.99 -0.20 -0.21 2.71 1.01 0.30 0.18 121.20 123.01 1fjc s ILE 58 Ca 0.42 0.22 0.01 0.00 0.00 0.00 0.00 60.65 61.30 1fjc s ILE 58 Cb -0.11 -0.39 0.04 0.00 0.01 0.00 0.00 42.46 42.01 1fjc s ILE 58 CO 0.29 0.09 -0.14 -1.83 0.00 0.00 0.00 174.94 173.35 1fjc s GLU 59 N 1.77 2.44 0.69 2.79 -1.05 -0.28 0.15 118.70 125.20 1fjc s GLU 59 Ca -0.04 -0.96 0.01 0.00 -0.15 0.00 0.00 54.97 53.82 1fjc s GLU 59 Cb -0.11 -2.58 0.11 0.00 -0.44 0.00 0.00 34.13 31.11 1fjc s GLU 59 CO -0.08 -0.38 0.95 -0.06 0.95 0.00 0.00 175.26 176.64 1fjc s PHE 60 N 1.28 1.66 -0.07 4.83 0.40 0.64 -0.65 117.98 126.07 1fjc s PHE 60 Ca -0.01 -0.32 0.30 0.00 -0.60 0.00 0.00 56.93 56.30 1fjc s PHE 60 Cb -0.16 -2.86 1.07 0.00 0.51 0.00 0.00 43.02 41.58 1fjc s PHE 60 CO -0.09 -1.56 1.87 -0.22 0.70 0.00 0.00 175.22 175.92 1fjc h LYS 61 N -0.38 0.00 -2.54 0.44 3.64 -1.82 -3.42 116.57 112.49 1fjc h LYS 61 Ca -0.36 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.09 1fjc h LYS 61 Cb 1.27 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.95 1fjc h LYS 61 CO 0.41 0.00 0.39 -1.54 -2.27 0.00 0.00 179.45 176.44 1fjc s SER 62 N -5.80 -0.43 0.42 4.20 1.04 -1.26 -5.00 113.70 106.87 1fjc s SER 62 Ca 0.03 -0.01 0.15 0.00 0.48 0.00 0.00 55.95 56.60 1fjc s SER 62 Cb 0.08 0.46 1.04 0.00 0.10 0.00 0.00 66.02 67.70 1fjc s SER 62 CO 0.58 -0.75 1.92 -0.08 0.98 0.00 0.00 173.24 175.88 1fjc h GLU 63 N 2.00 0.42 -0.61 4.02 4.81 -1.88 0.18 114.58 123.52 1fjc h GLU 63 Ca -0.26 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 1fjc h GLU 63 Cb 1.27 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1fjc h GLU 63 CO 0.33 0.28 0.23 0.00 -0.73 0.00 0.00 179.01 179.12 1fjc h ALA 64 N 1.64 0.79 0.18 2.92 0.00 -1.95 1.47 119.26 124.32 1fjc h ALA 64 Ca 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1fjc h ALA 64 Cb 0.84 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1fjc h ALA 64 CO -0.12 0.43 -0.09 -0.44 0.00 0.00 0.00 179.25 179.02 1fjc h ASP 65 N 0.85 -0.21 -0.20 0.00 3.32 -1.39 0.47 116.42 119.27 1fjc h ASP 65 Ca 0.20 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1fjc h ASP 65 Cb 0.23 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1fjc h ASP 65 CO -0.01 0.21 0.06 0.00 -1.72 0.00 0.00 179.24 177.78 1fjc h ALA 66 N 0.00 1.61 -0.00 3.45 0.00 -1.01 -0.15 119.26 123.15 1fjc h ALA 66 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1fjc h ALA 66 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1fjc h ALA 66 CO 0.04 0.30 -0.04 1.49 0.00 0.00 0.00 179.25 181.04 1fjc h GLU 67 N 0.39 0.03 -0.80 0.00 4.81 0.22 0.39 114.58 119.62 1fjc h GLU 67 Ca 0.09 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1fjc h GLU 67 Cb 0.16 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1fjc h GLU 67 CO -0.00 0.75 0.52 -0.22 -0.73 0.00 0.00 179.01 179.34 1fjc h LYS 68 N -0.68 0.92 0.05 1.92 1.63 0.17 0.19 116.57 120.77 1fjc h LYS 68 Ca -0.00 -0.06 -0.12 0.00 -0.85 0.00 0.00 60.65 59.62 1fjc h LYS 68 Cb 0.76 -0.21 0.01 0.00 -0.60 0.00 0.00 32.23 32.20 1fjc h LYS 68 CO 0.01 0.61 -0.51 -0.91 -3.45 0.00 0.00 179.45 175.20 1fjc h ASN 69 N 0.95 0.36 0.12 4.20 2.35 -1.03 0.59 115.58 123.12 1fjc h ASN 69 Ca 0.33 -0.87 -0.01 0.00 -0.55 0.00 0.00 56.30 55.20 1fjc h ASN 69 Cb 0.10 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1fjc h ASN 69 CO -0.10 1.19 -0.04 0.25 -1.65 0.00 0.00 177.43 177.08 1fjc h LEU 70 N -0.42 0.00 0.00 1.61 5.85 0.20 0.92 115.31 123.47 1fjc h LEU 70 Ca -0.08 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.27 1fjc h LEU 70 Cb 1.31 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 1fjc h LEU 70 CO 0.10 0.04 -2.41 -0.62 -0.34 0.00 0.00 178.44 175.21 1fjc n GLU 71 N -3.78 0.68 -0.01 1.25 1.02 0.63 -3.18 120.64 117.26 1fjc n GLU 71 Ca -0.03 0.09 0.13 0.00 -0.02 0.00 0.00 57.16 57.34 1fjc n GLU 71 Cb 0.13 -1.50 0.41 0.00 -0.02 0.00 0.00 31.44 30.46 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 -3.07 1.84 0.00 3.49 2.13 0.21 -4.27 120.64 120.98 1fjc n GLU 72 Ca -0.40 -1.23 0.00 0.00 0.66 0.00 0.00 57.16 56.19 1fjc n GLU 72 Cb 1.03 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 31.27 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 0.49 2.51 -1.50 5.31 3.00 0.32 -4.95 118.16 123.34 1fjc n LYS 73 Ca 0.18 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.20 1fjc n LYS 73 Cb 0.41 -0.86 -0.20 0.00 0.00 0.00 0.00 35.03 34.38 1fjc n LYS 73 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1fjc n GLN 74 N -1.44 0.02 0.00 1.64 7.27 -1.16 -1.20 117.38 122.51 1fjc n GLN 74 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1fjc n GLN 74 Cb 0.25 -1.23 0.00 0.00 2.41 0.00 0.00 30.24 31.67 1fjc n GLN 74 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1fjc n GLY 75 N 5.85 2.28 2.77 1.69 0.00 0.70 -4.90 105.19 113.59 1fjc n GLY 75 Ca 0.67 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.49 -1.77 4.61 0.00 -0.34 0.28 120.51 121.80 1fjc n ALA 76 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1fjc n ALA 76 Cb 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.97 1fjc n ALA 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1fjc s GLU 77 N -0.49 2.14 0.21 0.00 2.12 -1.26 -3.66 118.70 117.76 1fjc s GLU 77 Ca 0.00 0.57 -0.00 0.00 0.36 0.00 0.00 54.97 55.90 1fjc s GLU 77 Cb 0.00 -4.72 -0.04 0.00 0.26 0.00 0.00 34.13 29.63 1fjc s GLU 77 CO 0.00 -3.57 0.14 0.42 -0.54 0.00 0.00 175.26 171.71 1fjc s ILE 78 N 11.95 0.02 -0.34 -3.70 1.01 -0.08 -4.80 121.20 125.26 1fjc s ILE 78 Ca 0.84 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.49 1fjc s ILE 78 Cb -0.12 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1fjc s ILE 78 CO 0.13 0.00 0.00 -0.67 0.00 0.00 0.00 174.94 174.40 1fjc n ASP 79 N -0.37 -1.63 -1.23 3.58 -0.08 -1.26 0.28 116.55 115.84 1fjc n ASP 79 Ca 0.02 0.32 -0.15 0.00 -1.51 0.00 0.00 54.79 53.47 1fjc n ASP 79 Cb 0.66 -1.58 -0.06 0.00 2.34 0.00 0.00 41.12 42.48 1fjc n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1fjc n GLY 80 N -0.45 1.37 3.27 0.27 0.00 -1.26 -4.96 105.19 103.43 1fjc n GLY 80 Ca -0.04 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 1fjc n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fjc s ARG 81 N -3.45 0.96 -0.21 1.61 0.52 0.80 -5.15 118.95 114.04 1fjc s ARG 81 Ca 0.00 -0.78 -0.09 0.00 -0.52 0.00 0.00 55.73 54.33 1fjc s ARG 81 Cb 0.00 0.41 -0.05 0.00 0.52 0.00 0.00 34.95 35.83 1fjc s ARG 81 CO 0.00 -0.35 0.12 -1.12 0.02 0.00 0.00 175.30 173.97 1fjc s SER 82 N -2.75 6.00 0.28 0.23 0.01 -1.26 -0.90 113.70 115.31 1fjc s SER 82 Ca 0.03 0.15 -0.15 0.00 1.31 0.00 0.00 55.95 57.29 1fjc s SER 82 Cb 0.03 -2.06 -0.08 0.00 0.21 0.00 0.00 66.02 64.12 1fjc s SER 82 CO -0.11 0.14 0.70 -0.69 0.41 0.00 0.00 173.24 173.69 1fjc s VAL 83 N 0.57 4.70 0.39 3.43 1.01 0.78 -4.81 120.40 126.47 1fjc s VAL 83 Ca 0.07 0.95 0.08 0.00 0.00 0.00 0.00 61.98 63.07 1fjc s VAL 83 Cb -0.12 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1fjc s VAL 83 CO 0.00 -0.06 0.44 -0.55 0.00 0.00 0.00 175.10 174.94 1fjc s SER 84 N -2.12 5.48 -0.08 3.32 0.15 0.26 0.25 113.70 120.96 1fjc s SER 84 Ca 0.50 -0.48 -0.00 0.00 0.70 0.00 0.00 55.95 56.67 1fjc s SER 84 Cb -0.12 -0.81 0.02 0.00 -1.71 0.00 0.00 66.02 63.41 1fjc s SER 84 CO 0.19 -0.59 -0.06 -0.76 1.20 0.00 0.00 173.24 173.22 1fjc s LEU 85 N -4.19 1.10 -0.46 3.45 1.43 -1.26 -0.98 118.68 117.78 1fjc s LEU 85 Ca 0.48 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1fjc s LEU 85 Cb -0.07 -0.67 0.12 0.00 0.03 0.00 0.00 46.19 45.60 1fjc s LEU 85 CO 0.30 -0.11 0.26 -0.31 0.23 0.00 0.00 176.35 176.72 1fjc s TYR 86 N 1.52 3.54 0.12 0.29 1.51 0.76 -4.90 117.35 120.19 1fjc s TYR 86 Ca -0.00 -2.47 -0.02 0.00 -1.01 0.00 0.00 57.07 53.57 1fjc s TYR 86 Cb -0.13 -3.23 0.03 0.00 -0.11 0.00 0.00 41.96 38.52 1fjc s TYR 86 CO -0.05 -0.94 0.06 0.98 -1.11 0.00 0.00 175.55 174.49 1fjc n TYR 87 N 4.35 -1.36 -1.83 2.71 9.36 -1.26 0.26 117.16 129.39 1fjc n TYR 87 Ca -0.00 -0.02 -0.05 0.00 3.32 0.00 0.00 57.90 61.15 1fjc n TYR 87 Cb 0.40 -0.15 -0.05 0.00 -0.63 0.00 0.00 39.34 38.92 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 -2.83 0.00 -1.61 2.97 -2.24 -0.90 -4.22 114.28 105.45 1fjc n THR 88 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1fjc n THR 88 Cb 0.04 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.00 -0.67 0.00 3.38 0.00 0.98 -4.35 105.19 104.53 1fjc n GLY 89 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.00 -2.31 1.61 1.02 -1.26 -4.44 120.64 115.26 1fjc n GLU 90 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1fjc n GLU 90 Cb 0.55 -0.14 -0.01 0.00 -0.02 0.00 0.00 31.44 31.82 1fjc n GLU 90 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1fjc n LYS 91 N -0.88 -2.37 -1.17 3.49 4.81 -1.26 -4.27 118.16 116.51 1fjc n LYS 91 Ca 0.00 0.01 0.15 0.00 -0.87 0.00 0.00 58.31 57.60 1fjc n LYS 91 Cb 0.00 -3.60 -0.07 0.00 0.02 0.00 0.00 35.03 31.38 1fjc n LYS 91 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fjc n GLY 92 N -0.46 -2.88 0.00 3.14 0.00 -1.26 -4.99 105.19 98.74 1fjc n GLY 92 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.94 1.74 4.04 -0.02 0.00 -1.26 -4.75 105.19 101.01 1fjc n GLY 93 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1fjc n GLY 93 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1fjc n THR 94 N -0.05 -1.90 -3.45 2.61 5.66 -1.26 0.46 114.28 116.35 1fjc n THR 94 Ca 0.00 -0.48 -0.19 0.00 -3.05 0.00 0.00 64.05 60.33 1fjc n THR 94 Cb 0.00 -1.64 0.08 0.00 -1.55 0.00 0.00 70.33 67.22 1fjc n THR 94 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1fjc n ARG 95 N -4.36 -6.92 0.00 1.09 1.74 -1.26 -5.26 116.66 101.68 1fjc n ARG 95 Ca -0.13 0.80 0.07 0.00 -0.77 0.00 0.00 57.85 57.82 1fjc n ARG 95 Cb 0.50 -5.71 0.06 0.00 -1.02 0.00 0.00 32.46 26.28 1fjc n ARG 95 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52