#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fki s THR 2 N 0.00 2.06 0.13 1.12 -4.23 -1.26 -4.78 115.64 108.67 2fki s THR 2 Ca 0.00 -1.82 0.30 0.00 -1.18 0.00 0.00 61.69 58.98 2fki s THR 2 Cb 0.00 -2.88 0.33 0.00 1.34 0.00 0.00 72.50 71.29 2fki s THR 2 CO 0.00 0.00 1.93 -0.29 -0.54 0.00 0.00 174.62 175.72 2fki h ILE 3 N 1.51 0.22 -0.64 2.99 2.10 -1.96 -2.77 117.51 118.97 2fki h ILE 3 Ca -0.43 -0.73 0.05 0.00 1.08 0.00 0.00 64.86 64.83 2fki h ILE 3 Cb 1.26 1.59 -0.04 0.00 -1.09 0.00 0.00 36.82 38.54 2fki h ILE 3 CO 0.74 0.08 0.42 0.28 -1.08 0.00 0.00 178.15 178.59 2fki h SER 4 N 0.00 0.60 0.62 2.19 0.02 -1.99 0.21 113.55 115.21 2fki h SER 4 Ca -0.00 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 2fki h SER 4 Cb 0.59 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 2fki h SER 4 CO 0.01 0.40 -0.67 -0.33 -1.14 0.00 0.00 176.83 175.10 2fki h GLU 5 N 0.69 0.05 -0.01 3.45 5.08 -1.91 -2.80 114.58 119.13 2fki h GLU 5 Ca 0.27 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.44 2fki h GLU 5 Cb 0.18 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2fki h GLU 5 CO -0.08 0.70 -0.70 -0.07 -1.00 0.00 0.00 179.01 177.87 2fki h LEU 6 N 0.03 0.09 -0.70 1.33 -0.00 -1.15 -3.16 115.31 111.75 2fki h LEU 6 Ca -0.01 -0.06 0.07 0.00 -0.00 0.00 0.00 57.88 57.88 2fki h LEU 6 Cb 1.19 -0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 41.77 2fki h LEU 6 CO 0.09 0.76 0.38 0.25 -0.00 0.00 0.00 178.44 179.92 2fki h LEU 7 N 0.05 0.55 -1.41 1.67 7.12 -0.38 0.79 115.31 123.71 2fki h LEU 7 Ca -0.01 0.04 -0.04 0.00 0.13 0.00 0.00 57.88 58.00 2fki h LEU 7 Cb 1.23 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.28 2fki h LEU 7 CO 0.10 0.35 0.01 1.56 -0.13 0.00 0.00 178.44 180.32 2fki h GLN 8 N 0.69 0.40 -0.05 1.25 4.20 -1.52 -2.52 115.11 117.56 2fki h GLN 8 Ca 0.32 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.80 2fki h GLN 8 Cb 0.24 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2fki h GLN 8 CO -0.20 0.42 -0.68 -0.92 -0.67 0.00 0.00 178.83 176.77 2fki h TYR 9 N 0.39 0.30 -0.31 2.96 3.20 -0.94 -2.97 116.97 119.60 2fki h TYR 9 Ca 0.09 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 2fki h TYR 9 Cb 0.25 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 2fki h TYR 9 CO 0.01 0.83 0.18 0.00 -1.64 0.00 0.00 178.16 177.54 2fki n MET 11 N -4.47 0.18 0.03 0.00 2.81 -1.12 -2.13 117.12 112.42 2fki n MET 11 Ca 0.02 0.07 0.12 0.00 -1.81 0.00 0.00 57.70 56.10 2fki n MET 11 Cb 0.08 -1.50 0.30 0.00 -0.71 0.00 0.00 33.22 31.40 2fki n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fki n ALA 12 N -1.39 3.00 -2.62 3.04 0.00 -0.13 -4.76 120.51 117.64 2fki n ALA 12 Ca 0.09 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 2fki n ALA 12 Cb 0.24 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 2fki n ALA 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2fki s LYS 13 N -3.07 4.05 0.27 0.00 -0.14 -0.90 -5.03 119.74 114.91 2fki s LYS 13 Ca 0.10 0.70 -0.29 0.00 -1.36 0.00 0.00 55.97 55.12 2fki s LYS 13 Cb 0.16 -3.69 -0.10 0.00 -1.68 0.00 0.00 37.83 32.52 2fki s LYS 13 CO 0.67 -0.61 1.31 -1.25 -0.76 0.00 0.00 175.35 174.71 2fki s PRO 14 N 2.89 4.38 0.00 -1.68 0.04 -1.26 -3.08 135.00 136.28 2fki s PRO 14 Ca 0.33 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2fki s PRO 14 Cb -0.15 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2fki s PRO 14 CO 0.10 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.35 2fki n GLY 15 N 1.56 3.24 3.59 0.56 0.00 -1.26 -5.00 105.19 107.87 2fki n GLY 15 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2fki n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fki s ALA 16 N -2.17 3.47 0.35 4.61 0.00 -1.18 -4.48 121.76 122.35 2fki s ALA 16 Ca 0.00 -0.69 0.09 0.00 0.00 0.00 0.00 51.96 51.36 2fki s ALA 16 Cb 0.00 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.80 2fki s ALA 16 CO 0.00 -1.34 -0.08 -1.21 0.00 0.00 0.00 175.76 173.12 2fki s GLU 17 N 2.88 1.84 -0.04 0.00 2.02 -0.53 -4.85 118.70 120.02 2fki s GLU 17 Ca 0.28 -1.94 0.00 0.00 0.02 0.00 0.00 54.97 53.33 2fki s GLU 17 Cb -0.14 -1.71 -0.03 0.00 0.10 0.00 0.00 34.13 32.34 2fki s GLU 17 CO 0.15 0.13 -0.01 -0.65 0.02 0.00 0.00 175.26 174.89 2fki s GLN 18 N -3.62 2.84 -0.07 1.61 -0.21 -1.26 -1.20 119.66 117.76 2fki s GLN 18 Ca 0.33 -0.53 0.01 0.00 0.02 0.00 0.00 55.36 55.19 2fki s GLN 18 Cb 0.03 -2.70 0.02 0.00 1.00 0.00 0.00 33.01 31.36 2fki s GLN 18 CO 0.17 0.66 -0.08 -1.54 -2.12 0.00 0.00 175.29 172.38 2fki s SER 19 N -1.19 1.51 -0.09 5.90 1.04 0.54 -4.96 113.70 116.45 2fki s SER 19 Ca 0.16 -0.22 -0.03 0.00 0.48 0.00 0.00 55.95 56.34 2fki s SER 19 Cb -0.11 -0.65 -0.04 0.00 0.10 0.00 0.00 66.02 65.32 2fki s SER 19 CO 0.06 -0.04 0.05 0.54 0.98 0.00 0.00 173.24 174.83 2fki s VAL 20 N 1.03 4.73 -0.05 5.02 0.11 -1.26 -0.97 120.40 129.00 2fki s VAL 20 Ca -0.09 -0.13 0.06 0.00 -2.93 0.00 0.00 61.98 58.90 2fki s VAL 20 Cb -0.14 -3.03 -0.01 0.00 -1.53 0.00 0.00 36.38 31.66 2fki s VAL 20 CO -0.00 0.58 -0.24 -1.00 -3.33 0.00 0.00 175.10 171.11 2fki s HIS 21 N -0.96 2.45 -0.82 1.54 3.76 -1.22 -5.03 115.29 115.01 2fki s HIS 21 Ca 0.15 -0.63 -0.25 0.00 -0.15 0.00 0.00 55.06 54.17 2fki s HIS 21 Cb -0.12 -1.59 0.02 0.00 1.11 0.00 0.00 32.58 32.00 2fki s HIS 21 CO 0.04 -0.16 1.50 -0.80 -0.85 0.00 0.00 174.74 174.47 2fki s ASN 22 N -0.26 6.00 0.01 1.40 0.01 -1.26 -3.27 114.94 117.56 2fki s ASN 22 Ca -0.01 -0.64 0.00 0.00 -0.71 0.00 0.00 52.86 51.51 2fki s ASN 22 Cb -0.13 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 38.97 2fki s ASN 22 CO 0.03 -1.94 0.00 -0.67 -1.51 0.00 0.00 177.10 173.01 2fki n ASP 23 N 10.32 -0.12 -0.07 -1.22 -0.08 -1.26 -4.89 116.55 119.23 2fki n ASP 23 Ca 0.19 0.04 0.12 0.00 -1.51 0.00 0.00 54.79 53.62 2fki n ASP 23 Cb 0.50 0.39 0.19 0.00 2.34 0.00 0.00 41.12 44.54 2fki n ASP 23 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 2fki n TRP 24 N -2.12 0.00 -1.96 -0.67 7.02 -1.26 -4.92 117.44 113.53 2fki n TRP 24 Ca 0.00 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.30 2fki n TRP 24 Cb 0.00 -0.16 -0.04 0.00 -2.42 0.00 0.00 31.31 28.69 2fki n TRP 24 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 2fki n LYS 25 N -1.27 -1.35 -2.09 -0.99 4.81 -1.20 -4.86 118.16 111.21 2fki n LYS 25 Ca 0.07 0.99 -0.41 0.00 -0.87 0.00 0.00 58.31 58.09 2fki n LYS 25 Cb 0.34 -5.38 -0.02 0.00 0.02 0.00 0.00 35.03 29.99 2fki n LYS 25 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2fki s ALA 26 N -2.79 3.56 -0.32 3.14 0.00 -1.25 -4.86 121.76 119.24 2fki s ALA 26 Ca 0.00 1.26 -0.14 0.00 0.00 0.00 0.00 51.96 53.08 2fki s ALA 26 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 2fki s ALA 26 CO 0.00 -0.67 0.31 0.99 0.00 0.00 0.00 175.76 176.39 2fki s THR 27 N -0.45 5.22 -0.28 0.00 2.01 -0.79 -3.37 115.64 117.97 2fki s THR 27 Ca 0.55 0.12 -0.06 0.00 0.31 0.00 0.00 61.69 62.60 2fki s THR 27 Cb -0.40 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.39 2fki s THR 27 CO 0.46 0.04 0.06 -1.10 -0.69 0.00 0.00 174.62 173.39 2fki s GLN 28 N 1.92 3.15 -0.28 4.92 -0.21 -0.15 -1.06 119.66 127.96 2fki s GLN 28 Ca 0.10 -0.81 -0.15 0.00 0.02 0.00 0.00 55.36 54.52 2fki s GLN 28 Cb -0.16 -3.32 -0.03 0.00 1.00 0.00 0.00 33.01 30.49 2fki s GLN 28 CO 0.11 -0.40 0.39 0.42 -2.12 0.00 0.00 175.29 173.69 2fki s ILE 29 N 1.50 5.16 0.20 1.08 1.01 -0.38 -0.34 121.20 129.42 2fki s ILE 29 Ca 0.03 0.54 -0.03 0.00 0.00 0.00 0.00 60.65 61.18 2fki s ILE 29 Cb -0.17 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 2fki s ILE 29 CO 0.02 0.11 0.18 -1.59 0.00 0.00 0.00 174.94 173.66 2fki s LYS 30 N 2.10 1.22 0.00 2.79 -2.85 -0.34 -3.40 119.74 119.26 2fki s LYS 30 Ca 0.15 -1.52 0.00 0.00 -1.00 0.00 0.00 55.97 53.60 2fki s LYS 30 Cb -0.16 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 35.92 2fki s LYS 30 CO 0.10 -0.41 0.00 0.28 0.10 0.00 0.00 175.35 175.42 2fki n VAL 31 N -0.26 0.00 0.08 1.79 0.31 -0.29 -1.45 118.33 118.50 2fki n VAL 31 Ca -0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 2fki n VAL 31 Cb 0.65 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.53 2fki n VAL 31 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2fki h GLU 32 N 0.00 -0.36 0.00 5.55 4.39 -1.98 -3.40 114.58 118.78 2fki h GLU 32 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2fki h GLU 32 Cb 0.00 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2fki h GLU 32 CO 0.00 -0.24 -0.18 -3.47 -1.16 0.00 0.00 179.01 173.96 2fki n ASP 33 N -3.76 0.00 -4.48 1.42 2.03 -1.26 -5.05 116.55 105.45 2fki n ASP 33 Ca -0.04 -1.36 -0.43 0.00 0.52 0.00 0.00 54.79 53.48 2fki n ASP 33 Cb 0.19 -0.07 -0.05 0.00 -0.72 0.00 0.00 41.12 40.47 2fki n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2fki s VAL 34 N 0.00 4.49 -0.09 5.18 1.01 -1.26 -5.02 120.40 124.70 2fki s VAL 34 Ca 0.00 -0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.64 2fki s VAL 34 Cb 0.00 -4.52 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 2fki s VAL 34 CO 0.00 -1.14 0.80 -0.22 0.00 0.00 0.00 175.10 174.54 2fki s LEU 35 N 3.66 4.27 -0.01 3.92 2.96 -1.26 -1.14 118.68 131.08 2fki s LEU 35 Ca 0.24 1.26 0.02 0.00 -0.22 0.00 0.00 54.13 55.43 2fki s LEU 35 Cb -0.15 -3.22 -0.03 0.00 0.50 0.00 0.00 46.19 43.29 2fki s LEU 35 CO 0.15 -0.25 0.02 2.22 -1.32 0.00 0.00 176.35 177.17 2fki n PHE 36 N 4.36 0.00 -3.61 5.38 1.16 -1.22 -4.99 117.46 118.53 2fki n PHE 36 Ca 0.02 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.45 2fki n PHE 36 Cb 0.50 -0.08 -0.07 0.00 -1.61 0.00 0.00 39.48 38.22 2fki n PHE 36 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2fki s ALA 37 N -2.08 -1.53 -0.13 1.98 0.00 -1.22 -3.92 121.76 114.84 2fki s ALA 37 Ca -0.01 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 2fki s ALA 37 Cb 0.01 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.74 2fki s ALA 37 CO 0.08 -0.32 0.34 0.00 0.00 0.00 0.00 175.76 175.86 2fki s MET 38 N -0.56 0.37 -0.06 0.00 0.23 -1.17 -1.25 119.30 116.86 2fki s MET 38 Ca -0.07 0.52 0.02 0.00 -1.03 0.00 0.00 55.69 55.13 2fki s MET 38 Cb -0.03 0.12 -0.03 0.00 -1.53 0.00 0.00 34.83 33.37 2fki s MET 38 CO 0.05 -0.08 -0.09 0.54 -2.03 0.00 0.00 175.02 173.41 2fki s VAL 39 N 0.48 3.48 -0.04 5.16 0.11 -0.23 -1.16 120.40 128.21 2fki s VAL 39 Ca -0.02 -0.58 -0.02 0.00 -2.93 0.00 0.00 61.98 58.43 2fki s VAL 39 Cb -0.04 -2.41 0.02 0.00 -1.53 0.00 0.00 36.38 32.42 2fki s VAL 39 CO -0.02 0.59 0.08 -0.54 -3.33 0.00 0.00 175.10 171.87 2fki s LYS 40 N -0.81 0.05 -0.44 1.54 3.01 0.63 -1.88 119.74 121.83 2fki s LYS 40 Ca 0.12 0.20 -0.26 0.00 -1.01 0.00 0.00 55.97 55.03 2fki s LYS 40 Cb -0.11 -0.11 0.02 0.00 -1.01 0.00 0.00 37.83 36.63 2fki s LYS 40 CO 0.01 -0.10 0.94 -1.21 0.51 0.00 0.00 175.35 175.50 2fki s GLU 41 N 0.66 3.62 -0.05 1.68 8.01 -1.26 -0.92 118.70 130.43 2fki s GLU 41 Ca -0.05 0.28 0.04 0.00 0.01 0.00 0.00 54.97 55.25 2fki s GLU 41 Cb -0.07 -3.90 0.00 0.00 -4.31 0.00 0.00 34.13 25.85 2fki s GLU 41 CO -0.03 -1.17 -0.16 0.54 0.01 0.00 0.00 175.26 174.45 2fki s VAL 42 N 3.73 1.40 -1.94 2.63 0.11 -0.20 -4.60 120.40 121.53 2fki s VAL 42 Ca 0.38 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 2fki s VAL 42 Cb -0.10 -1.22 0.00 0.00 -1.53 0.00 0.00 36.38 33.53 2fki s VAL 42 CO 0.25 0.41 0.00 -0.62 -3.33 0.00 0.00 175.10 171.81 2fki n GLU 43 N 3.35 -1.29 -2.17 1.54 -0.58 -1.26 -0.55 120.64 119.68 2fki n GLU 43 Ca -0.19 1.14 -0.13 0.00 -0.42 0.00 0.00 57.16 57.56 2fki n GLU 43 Cb 0.53 -5.42 -0.01 0.00 -0.57 0.00 0.00 31.44 25.96 2fki n GLU 43 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2fki n ASN 44 N -0.97 -4.00 -4.25 1.62 2.85 -1.26 -5.03 115.26 104.22 2fki n ASN 44 Ca -0.18 0.01 -0.32 0.00 -0.11 0.00 0.00 54.58 53.98 2fki n ASN 44 Cb 0.60 -3.15 -0.16 0.00 1.24 0.00 0.00 39.78 38.30 2fki n ASN 44 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2fki s ARG 45 N -4.51 3.04 -0.39 1.20 3.00 0.29 -5.09 118.95 116.49 2fki s ARG 45 Ca 0.00 -0.85 -0.28 0.00 0.00 0.00 0.00 55.73 54.60 2fki s ARG 45 Cb 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 34.95 32.60 2fki s ARG 45 CO 0.00 0.21 1.81 -1.25 0.00 0.00 0.00 175.30 176.07 2fki s PRO 46 N 0.27 3.18 -0.11 3.54 0.04 -1.26 -1.04 135.00 139.62 2fki s PRO 46 Ca -0.16 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.17 2fki s PRO 46 Cb -0.17 -4.24 0.01 0.00 0.04 0.00 0.00 34.50 30.14 2fki s PRO 46 CO 0.08 -2.04 -0.19 0.00 0.04 0.00 0.00 177.00 174.88 2fki s ALA 47 N 7.37 1.95 -0.06 8.56 0.00 -0.10 -0.56 121.76 138.93 2fki s ALA 47 Ca 0.77 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.88 2fki s ALA 47 Cb -0.20 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 2fki s ALA 47 CO 0.31 0.03 -0.16 0.54 0.00 0.00 0.00 175.76 176.48 2fki s VAL 48 N 0.76 2.90 -0.21 0.00 0.11 -0.69 -0.27 120.40 123.01 2fki s VAL 48 Ca -0.10 -0.78 -0.04 0.00 -2.93 0.00 0.00 61.98 58.13 2fki s VAL 48 Cb -0.16 -2.13 -0.02 0.00 -1.53 0.00 0.00 36.38 32.55 2fki s VAL 48 CO 0.01 0.58 -0.03 -0.94 -3.33 0.00 0.00 175.10 171.39 2fki s SER 49 N -0.55 4.49 0.26 3.54 1.04 -0.31 -0.54 113.70 121.64 2fki s SER 49 Ca 0.08 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.24 2fki s SER 49 Cb -0.11 -1.76 -0.03 0.00 0.10 0.00 0.00 66.02 64.21 2fki s SER 49 CO 0.01 0.03 0.40 -0.76 0.98 0.00 0.00 173.24 173.90 2fki s LEU 50 N 1.20 4.25 -0.02 2.42 1.02 0.76 -3.05 118.68 125.27 2fki s LEU 50 Ca 0.03 0.11 -0.15 0.00 0.02 0.00 0.00 54.13 54.14 2fki s LEU 50 Cb -0.14 -2.92 -0.09 0.00 0.02 0.00 0.00 46.19 43.06 2fki s LEU 50 CO -0.00 -0.13 0.73 0.11 0.02 0.00 0.00 176.35 177.08 2fki h LYS 51 N 1.09 -0.54 -1.43 1.70 1.57 -1.84 -0.89 116.57 116.24 2fki h LYS 51 Ca -0.51 0.04 0.22 0.00 -1.87 0.00 0.00 60.65 58.52 2fki h LYS 51 Cb 1.23 0.12 -0.21 0.00 0.08 0.00 0.00 32.23 33.45 2fki h LYS 51 CO 0.61 -0.36 0.79 -0.08 -0.57 0.00 0.00 179.45 179.84 2fki s THR 52 N -3.44 0.00 -0.09 -0.16 -1.32 -1.26 -4.25 115.64 105.11 2fki s THR 52 Ca -0.08 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.18 2fki s THR 52 Cb 0.01 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.05 2fki s THR 52 CO 0.24 0.00 0.52 -0.44 -2.21 0.00 0.00 174.62 172.73 2fki s SER 53 N -1.76 -0.48 0.19 8.08 0.01 -1.26 -4.96 113.70 113.52 2fki s SER 53 Ca 0.07 0.66 -0.13 0.00 1.31 0.00 0.00 55.95 57.87 2fki s SER 53 Cb -0.01 0.67 0.22 0.00 0.21 0.00 0.00 66.02 67.11 2fki s SER 53 CO -0.05 -0.41 1.69 -0.65 0.41 0.00 0.00 173.24 174.23 2fki h PRO 54 N 4.07 0.14 0.00 12.44 0.11 -2.02 0.51 132.00 147.25 2fki h PRO 54 Ca -0.28 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.66 2fki h PRO 54 Cb 1.16 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2fki h PRO 54 CO 0.31 0.09 -0.75 0.93 -0.21 0.00 0.00 178.00 178.37 2fki h GLU 55 N 0.15 0.00 -0.24 1.05 5.08 -1.98 -1.69 114.58 116.95 2fki h GLU 55 Ca 0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2fki h GLU 55 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2fki h GLU 55 CO -0.42 0.75 0.05 -0.07 -1.00 0.00 0.00 179.01 178.31 2fki h LEU 56 N 0.00 0.37 -1.25 1.33 -0.00 -1.72 0.33 115.31 114.37 2fki h LEU 56 Ca -0.01 -0.25 -0.08 0.00 -0.00 0.00 0.00 57.88 57.55 2fki h LEU 56 Cb 1.34 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.89 2fki h LEU 56 CO 0.10 0.52 -0.35 0.00 -0.00 0.00 0.00 178.44 178.72 2fki h ALA 57 N 0.86 1.38 0.14 1.53 0.00 -0.90 -2.04 119.26 120.23 2fki h ALA 57 Ca 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2fki h ALA 57 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2fki h ALA 57 CO 0.00 0.46 -0.07 1.49 0.00 0.00 0.00 179.25 181.13 2fki h GLU 58 N 0.04 -0.18 -0.99 0.00 4.81 -1.00 -2.81 114.58 114.44 2fki h GLU 58 Ca 0.00 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.36 2fki h GLU 58 Cb 0.64 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.98 2fki h GLU 58 CO 0.05 0.01 0.62 -0.07 -0.73 0.00 0.00 179.01 178.89 2fki h LEU 59 N -0.35 0.93 -1.83 1.64 3.38 -0.66 -0.64 115.31 117.76 2fki h LEU 59 Ca -0.02 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2fki h LEU 59 Cb 0.28 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2fki h LEU 59 CO 0.03 0.51 -0.06 -0.07 0.09 0.00 0.00 178.44 178.94 2fki h LEU 60 N 1.01 0.03 -0.18 1.67 3.38 -1.21 0.23 115.31 120.23 2fki h LEU 60 Ca 0.48 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.24 2fki h LEU 60 Cb 0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2fki h LEU 60 CO -0.25 0.09 -0.95 0.03 0.09 0.00 0.00 178.44 177.45 2fki h ARG 61 N 0.03 0.19 0.00 1.13 2.47 -0.89 -3.42 114.38 113.90 2fki h ARG 61 Ca 0.01 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.49 2fki h ARG 61 Cb 0.13 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2fki h ARG 61 CO 0.01 1.00 0.00 1.04 0.56 0.00 0.00 179.97 182.58 2fki n GLN 62 N -3.61 0.00 -2.26 0.04 1.13 -0.60 -4.95 117.38 107.13 2fki n GLN 62 Ca -0.04 0.07 -0.38 0.00 -1.94 0.00 0.00 57.00 54.71 2fki n GLN 62 Cb 0.86 -0.38 -0.02 0.00 0.11 0.00 0.00 30.24 30.81 2fki n GLN 62 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2fki s GLN 63 N -0.34 4.02 0.00 -1.09 1.11 0.70 -4.91 119.66 119.15 2fki s GLN 63 Ca 0.00 1.87 0.00 0.00 0.01 0.00 0.00 55.36 57.24 2fki s GLN 63 Cb 0.00 -2.67 0.00 0.00 -1.01 0.00 0.00 33.01 29.33 2fki s GLN 63 CO 0.00 -0.36 0.61 -2.39 0.01 0.00 0.00 175.29 173.16 2fki n HIS 64 N 0.04 0.00 -0.12 0.91 1.44 -1.23 -4.40 115.22 111.86 2fki n HIS 64 Ca 0.04 -0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.51 2fki n HIS 64 Cb 0.46 0.19 -0.08 0.00 0.12 0.00 0.00 29.99 30.68 2fki n HIS 64 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2fki n SER 65 N 0.00 1.82 -0.06 4.39 3.41 -1.26 -4.82 113.62 117.09 2fki n SER 65 Ca -0.00 0.31 -0.04 0.00 -0.26 0.00 0.00 58.87 58.88 2fki n SER 65 Cb 0.54 -0.75 -0.01 0.00 -0.26 0.00 0.00 64.21 63.73 2fki n SER 65 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2fki n ASP 66 N -4.19 1.49 -4.70 4.04 5.68 -1.26 -4.88 116.55 112.72 2fki n ASP 66 Ca -0.44 0.52 -0.40 0.00 -0.50 0.00 0.00 54.79 53.97 2fki n ASP 66 Cb 0.80 -0.79 -0.05 0.00 -1.14 0.00 0.00 41.12 39.94 2fki n ASP 66 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2fki s VAL 67 N -2.09 5.04 -0.19 2.12 0.11 -1.26 -4.92 120.40 119.20 2fki s VAL 67 Ca -0.14 1.40 -0.27 0.00 -2.93 0.00 0.00 61.98 60.04 2fki s VAL 67 Cb 0.02 -4.02 0.07 0.00 -1.53 0.00 0.00 36.38 30.92 2fki s VAL 67 CO 0.20 0.22 0.72 0.00 -3.33 0.00 0.00 175.10 172.91 2fki s ARG 68 N 1.07 0.90 -0.15 1.54 3.03 -1.26 -3.53 118.95 120.55 2fki s ARG 68 Ca 0.36 0.69 -0.29 0.00 2.03 0.00 0.00 55.73 58.51 2fki s ARG 68 Cb -0.17 0.43 -0.04 0.00 -1.03 0.00 0.00 34.95 34.14 2fki s ARG 68 CO 0.16 -0.19 1.65 -2.14 -1.13 0.00 0.00 175.30 173.66 2fki s PRO 69 N -0.24 3.93 0.00 3.89 0.02 -1.26 -4.92 135.00 136.42 2fki s PRO 69 Ca -0.04 1.89 0.00 0.00 0.02 0.00 0.00 61.00 62.87 2fki s PRO 69 Cb -0.03 -4.02 0.00 0.00 0.02 0.00 0.00 34.50 30.47 2fki s PRO 69 CO 0.04 -1.14 0.00 0.45 -0.33 0.00 0.00 177.00 176.02 2fki n SER 70 N 8.02 0.00 -0.35 2.53 2.88 -1.26 -5.04 113.62 120.40 2fki n SER 70 Ca 0.19 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.75 2fki n SER 70 Cb 0.44 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.89 2fki n SER 70 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2fki n ARG 71 N 0.00 -0.86 0.18 -1.46 3.00 -1.26 -4.54 116.66 111.72 2fki n ARG 71 Ca 0.00 0.69 0.14 0.00 -0.00 0.00 0.00 57.85 58.67 2fki n ARG 71 Cb 0.00 -0.93 0.58 0.00 0.00 0.00 0.00 32.46 32.11 2fki n ARG 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2fki h HIS 72 N -0.20 0.00 -3.29 -0.14 6.17 -2.05 -3.43 115.15 112.22 2fki h HIS 72 Ca -0.03 0.00 -0.38 0.00 0.71 0.00 0.00 60.37 60.67 2fki h HIS 72 Cb 0.29 0.00 0.18 0.00 2.52 0.00 0.00 27.41 30.40 2fki h HIS 72 CO 0.01 0.00 0.13 1.28 0.71 0.00 0.00 177.93 180.06 2fki n LEU 73 N -2.47 0.00 -4.56 0.26 4.77 -1.26 -4.89 117.00 108.85 2fki n LEU 73 Ca 0.01 -1.11 -0.35 0.00 -0.03 0.00 0.00 56.01 54.53 2fki n LEU 73 Cb 0.22 -0.95 -0.04 0.00 -2.33 0.00 0.00 43.42 40.33 2fki n LEU 73 CO 0.20 -2.05 1.41 0.20 -1.33 0.00 0.00 177.39 175.82 2fki s ASN 74 N -4.36 5.71 0.46 -1.43 -0.87 -1.26 -4.79 114.94 108.40 2fki s ASN 74 Ca 0.67 -0.73 0.25 0.00 -1.57 0.00 0.00 52.86 51.48 2fki s ASN 74 Cb -0.06 -2.56 1.06 0.00 -0.02 0.00 0.00 41.25 39.67 2fki s ASN 74 CO 0.51 -2.19 1.89 0.07 -2.57 0.00 0.00 177.10 174.81 2fki h LYS 75 N 11.26 0.00 -0.75 -0.60 2.10 -1.80 0.37 116.57 127.16 2fki h LYS 75 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 2fki h LYS 75 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 2fki h LYS 75 CO 1.29 0.20 0.00 0.00 -2.00 0.00 0.00 179.45 178.94 2fki n ALA 76 N -2.24 3.26 0.00 0.07 0.00 -1.26 -4.19 120.51 116.15 2fki n ALA 76 Ca -0.00 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.36 2fki n ALA 76 Cb 0.38 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2fki n ALA 76 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2fki n HIS 77 N 0.37 0.00 -4.44 0.00 -0.00 -0.88 -5.11 115.22 105.17 2fki n HIS 77 Ca 0.16 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 58.05 2fki n HIS 77 Cb 0.77 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.51 2fki n HIS 77 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2fki s TRP 78 N -1.00 2.30 -0.10 1.57 0.52 0.13 -4.62 118.94 117.73 2fki s TRP 78 Ca 0.00 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.75 2fki s TRP 78 Cb 0.00 -1.26 0.01 0.00 -1.15 0.00 0.00 33.47 31.08 2fki s TRP 78 CO 0.00 0.32 -0.15 -1.12 0.02 0.00 0.00 176.95 176.02 2fki s SER 79 N -1.98 2.34 -0.25 2.95 0.01 -0.34 -4.32 113.70 112.11 2fki s SER 79 Ca 0.14 -0.40 -0.05 0.00 1.31 0.00 0.00 55.95 56.94 2fki s SER 79 Cb -0.10 -1.05 -0.00 0.00 0.21 0.00 0.00 66.02 65.08 2fki s SER 79 CO 0.06 0.02 0.00 -0.89 0.41 0.00 0.00 173.24 172.84 2fki s THR 80 N 0.93 3.63 -0.18 1.44 2.01 -1.26 -0.17 115.64 122.04 2fki s THR 80 Ca -0.08 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.32 2fki s THR 80 Cb -0.15 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 2fki s THR 80 CO -0.00 0.30 0.04 -0.69 -0.69 0.00 0.00 174.62 173.58 2fki s VAL 81 N 1.49 4.55 -0.43 3.82 1.01 0.30 -4.84 120.40 126.31 2fki s VAL 81 Ca 0.05 -0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.66 2fki s VAL 81 Cb -0.15 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.20 2fki s VAL 81 CO -0.01 0.46 0.88 -0.31 0.00 0.00 0.00 175.10 176.11 2fki s TYR 82 N 0.47 2.99 -0.69 5.22 2.02 -1.26 -1.70 117.35 124.39 2fki s TYR 82 Ca 0.02 0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 57.11 2fki s TYR 82 Cb -0.13 -3.78 0.26 0.00 -0.40 0.00 0.00 41.96 37.92 2fki s TYR 82 CO 0.01 -0.99 2.26 1.28 -1.57 0.00 0.00 175.55 176.54 2fki n LEU 83 N 6.91 7.19 -3.93 -1.29 4.77 0.27 -4.58 117.00 126.34 2fki n LEU 83 Ca 0.05 -4.50 -0.42 0.00 -0.03 0.00 0.00 56.01 51.10 2fki n LEU 83 Cb 0.48 -1.11 0.01 0.00 -2.33 0.00 0.00 43.42 40.47 2fki n LEU 83 CO 0.61 1.71 1.18 -0.67 -1.33 0.00 0.00 177.39 178.89 2fki n ASP 84 N -0.10 6.59 0.00 -1.43 2.03 -1.26 -4.67 116.55 117.70 2fki n ASP 84 Ca 0.52 -3.47 0.00 0.00 0.52 0.00 0.00 54.79 52.36 2fki n ASP 84 Cb 0.38 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 2fki n ASP 84 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2fki n GLY 85 N 1.04 2.24 0.11 0.27 0.00 -1.26 -4.83 105.19 102.75 2fki n GLY 85 Ca 0.30 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.15 2fki n GLY 85 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2fki h SER 86 N 0.00 0.32 -3.29 1.61 4.64 -1.83 -3.45 113.55 111.54 2fki h SER 86 Ca 0.00 -0.84 -0.56 0.00 -0.47 0.00 0.00 61.79 59.91 2fki h SER 86 Cb 0.00 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 61.95 2fki h SER 86 CO 0.00 1.13 -0.04 -0.76 -0.87 0.00 0.00 176.83 176.28 2fki s LEU 87 N -8.29 4.44 0.81 5.97 2.01 -1.26 -5.08 118.68 117.29 2fki s LEU 87 Ca -0.15 1.21 -0.11 0.00 0.01 0.00 0.00 54.13 55.08 2fki s LEU 87 Cb 0.01 -3.08 0.08 0.00 0.01 0.00 0.00 46.19 43.21 2fki s LEU 87 CO 0.77 0.19 1.10 -2.16 1.01 0.00 0.00 176.35 177.26 2fki s PRO 88 N -1.49 1.94 0.19 1.29 0.04 -1.26 -4.90 135.00 130.82 2fki s PRO 88 Ca 0.33 0.69 -0.12 0.00 0.04 0.00 0.00 61.00 61.94 2fki s PRO 88 Cb -0.18 -1.90 0.21 0.00 0.04 0.00 0.00 34.50 32.68 2fki s PRO 88 CO 0.19 -1.73 1.71 0.38 0.04 0.00 0.00 177.00 177.59 2fki h ASP 89 N -1.17 -0.03 -0.24 6.66 2.03 -1.98 -2.40 116.42 119.29 2fki h ASP 89 Ca -0.47 0.10 -0.03 0.00 -0.73 0.00 0.00 57.03 55.90 2fki h ASP 89 Cb 1.27 0.14 -0.02 0.00 -0.83 0.00 0.00 39.33 39.89 2fki h ASP 89 CO 0.58 0.01 0.08 0.28 -1.03 0.00 0.00 179.24 179.16 2fki h SER 90 N 0.22 0.41 -0.29 4.15 0.02 -2.00 -1.42 113.55 114.65 2fki h SER 90 Ca 0.26 -0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 60.99 2fki h SER 90 Cb 0.37 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 2fki h SER 90 CO -0.36 0.42 -0.48 1.56 -1.14 0.00 0.00 176.83 176.83 2fki h GLN 91 N 0.45 0.86 -0.56 3.45 1.08 -1.82 -2.34 115.11 116.24 2fki h GLN 91 Ca 0.11 -0.51 -0.08 0.00 -1.45 0.00 0.00 58.65 56.72 2fki h GLN 91 Cb 0.18 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 2fki h GLN 91 CO -0.00 1.15 0.03 0.82 -0.95 0.00 0.00 178.83 179.87 2fki h ILE 92 N 0.68 1.26 -0.64 2.54 2.04 -1.06 -1.97 117.51 120.36 2fki h ILE 92 Ca 0.03 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 2fki h ILE 92 Cb 1.08 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2fki h ILE 92 CO 0.11 0.39 0.37 1.88 0.00 0.00 0.00 178.15 180.90 2fki h TYR 93 N 0.85 0.86 -0.69 1.37 0.05 -1.27 -2.81 116.97 115.33 2fki h TYR 93 Ca 0.16 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.96 2fki h TYR 93 Cb 0.50 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 37.92 2fki h TYR 93 CO 0.04 0.60 0.43 -0.92 -1.05 0.00 0.00 178.16 177.25 2fki h TYR 94 N 0.87 0.80 -0.62 4.88 3.20 -1.08 -1.04 116.97 123.98 2fki h TYR 94 Ca 0.23 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.19 2fki h TYR 94 Cb 0.00 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 37.95 2fki h TYR 94 CO -0.01 0.46 0.29 -0.07 -1.64 0.00 0.00 178.16 177.18 2fki h LEU 95 N 0.84 0.38 0.01 2.82 3.38 -1.10 -0.09 115.31 121.54 2fki h LEU 95 Ca 0.28 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 2fki h LEU 95 Cb 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2fki h LEU 95 CO -0.11 0.24 -0.00 0.58 0.09 0.00 0.00 178.44 179.23 2fki h VAL 96 N 0.53 1.58 -0.39 1.22 2.07 -1.42 -3.20 116.25 116.64 2fki h VAL 96 Ca 0.29 -1.95 -0.08 0.00 0.82 0.00 0.00 66.70 65.78 2fki h VAL 96 Cb 0.28 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 2fki h VAL 96 CO -0.24 0.49 -0.07 -0.78 0.02 0.00 0.00 177.57 177.00 2fki h ASP 97 N -0.88 0.74 -0.30 0.57 3.58 -1.11 -2.41 116.42 116.61 2fki h ASP 97 Ca -0.00 -0.35 -0.04 0.00 0.42 0.00 0.00 57.03 57.05 2fki h ASP 97 Cb 0.82 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 2fki h ASP 97 CO 0.00 0.91 0.01 0.00 -2.88 0.00 0.00 179.24 177.29 2fki h ALA 98 N 0.85 0.40 -0.74 -0.78 0.00 -1.17 0.14 119.26 117.96 2fki h ALA 98 Ca 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2fki h ALA 98 Cb 0.58 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2fki h ALA 98 CO 0.03 0.13 0.42 0.77 0.00 0.00 0.00 179.25 180.60 2fki h SER 99 N 0.31 0.91 -0.22 0.00 0.02 -1.54 -1.90 113.55 111.14 2fki h SER 99 Ca 0.09 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2fki h SER 99 Cb 0.41 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2fki h SER 99 CO 0.01 0.73 0.01 0.22 -1.14 0.00 0.00 176.83 176.67 2fki h TYR 100 N 1.01 0.41 0.24 3.45 3.20 -1.28 -2.99 116.97 121.02 2fki h TYR 100 Ca 0.26 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2fki h TYR 100 Cb 0.01 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 2fki h TYR 100 CO -0.00 0.55 -0.24 0.37 -1.64 0.00 0.00 178.16 177.19 2fki h GLN 101 N 0.15 -0.49 -0.22 1.82 -0.00 -0.62 -1.66 115.11 114.08 2fki h GLN 101 Ca 0.06 0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.71 2fki h GLN 101 Cb 0.38 0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.96 2fki h GLN 101 CO 0.01 -0.33 -0.02 -0.56 0.00 0.00 0.00 178.83 177.93 2fki h GLN 102 N -0.51 0.33 -0.31 1.69 3.07 -1.44 -1.89 115.11 116.05 2fki h GLN 102 Ca -0.00 -0.06 -0.13 0.00 0.09 0.00 0.00 58.65 58.55 2fki h GLN 102 Cb 0.48 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 2fki h GLN 102 CO -0.05 0.38 -0.34 0.00 0.09 0.00 0.00 178.83 178.91 2fki h ALA 103 N 1.66 0.82 -0.40 0.06 0.00 -1.30 -2.92 119.26 117.18 2fki h ALA 103 Ca 0.07 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2fki h ALA 103 Cb 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2fki h ALA 103 CO 0.01 0.64 -0.13 0.28 0.00 0.00 0.00 179.25 180.05 2fki h VAL 104 N 0.57 1.26 0.00 0.00 2.07 -0.54 -2.42 116.25 117.19 2fki h VAL 104 Ca 0.06 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 2fki h VAL 104 Cb 0.86 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2fki h VAL 104 CO 0.07 0.40 -0.07 0.78 0.02 0.00 0.00 177.57 178.77 2fki h ASN 105 N 0.66 0.00 0.34 0.57 2.35 -1.24 -2.17 115.58 116.09 2fki h ASN 105 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2fki h ASN 105 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 2fki h ASN 105 CO 0.04 0.07 -0.20 0.18 -1.65 0.00 0.00 177.43 175.87 2fki n LEU 106 N -3.32 0.70 -4.83 1.61 4.77 -0.91 -4.88 117.00 110.13 2fki n LEU 106 Ca -0.01 -0.09 -0.33 0.00 -0.03 0.00 0.00 56.01 55.54 2fki n LEU 106 Cb 0.24 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2fki n LEU 106 CO 0.27 0.13 0.51 -0.76 -1.33 0.00 0.00 177.39 176.22 2fki s LEU 107 N -2.54 4.07 1.13 2.23 1.43 -0.82 -5.06 118.68 119.12 2fki s LEU 107 Ca 0.25 1.47 -0.16 0.00 -1.03 0.00 0.00 54.13 54.66 2fki s LEU 107 Cb 0.19 -4.17 0.25 0.00 0.03 0.00 0.00 46.19 42.50 2fki s LEU 107 CO 0.51 -0.22 1.09 -2.16 0.23 0.00 0.00 176.35 175.80 2fki s PRO 108 N -2.86 -0.63 0.17 1.29 0.04 -1.26 -4.64 135.00 127.11 2fki s PRO 108 Ca 0.55 0.24 -0.19 0.00 0.04 0.00 0.00 61.00 61.64 2fki s PRO 108 Cb -0.11 -1.64 0.10 0.00 0.04 0.00 0.00 34.50 32.89 2fki s PRO 108 CO 0.17 -3.38 1.63 1.49 0.04 0.00 0.00 177.00 176.94 2fki h GLU 109 N -2.35 -0.13 -0.07 4.56 4.57 -1.98 -0.54 114.58 118.64 2fki h GLU 109 Ca -0.50 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 57.72 2fki h GLU 109 Cb 1.32 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.89 2fki h GLU 109 CO 0.45 -0.09 -0.20 1.49 -1.18 0.00 0.00 179.01 179.48 2fki h GLU 110 N -0.13 -0.28 0.05 1.92 4.22 -2.00 -0.60 114.58 117.75 2fki h GLU 110 Ca 0.20 0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.66 2fki h GLU 110 Cb 0.45 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2fki h GLU 110 CO -0.50 -0.19 -0.02 0.87 -2.18 0.00 0.00 179.01 176.99 2fki h LYS 111 N -0.29 -0.06 -0.92 1.92 1.79 -1.84 -2.99 116.57 114.19 2fki h LYS 111 Ca 0.08 0.00 0.20 0.00 -2.18 0.00 0.00 60.65 58.75 2fki h LYS 111 Cb 0.40 0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 30.95 2fki h LYS 111 CO -0.24 0.26 0.48 0.00 -1.08 0.00 0.00 179.45 178.88 2fki h ARG 112 N -0.39 0.55 -0.14 3.15 2.47 -0.96 -2.29 114.38 116.76 2fki h ARG 112 Ca -0.01 -0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.72 2fki h ARG 112 Cb 0.35 -0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 28.50 2fki h ARG 112 CO 0.01 0.36 -0.16 -0.22 0.56 0.00 0.00 179.97 180.52 2fki h LYS 113 N 0.56 -0.19 -0.76 0.04 1.63 -0.95 -0.71 116.57 116.20 2fki h LYS 113 Ca 0.55 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 60.33 2fki h LYS 113 Cb 0.94 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.58 2fki h LYS 113 CO -0.44 -0.12 0.36 -0.07 -3.45 0.00 0.00 179.45 175.72 2fki h LEU 114 N -0.19 1.00 -1.85 5.20 3.38 -1.45 -1.97 115.31 119.44 2fki h LEU 114 Ca 0.10 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2fki h LEU 114 Cb 0.34 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2fki h LEU 114 CO -0.26 0.86 -0.14 -0.07 0.09 0.00 0.00 178.44 178.92 2fki h LEU 115 N 1.08 0.00 0.09 1.67 3.38 -0.92 -2.20 115.31 118.41 2fki h LEU 115 Ca 0.26 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.94 2fki h LEU 115 Cb 0.13 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.90 2fki h LEU 115 CO -0.03 0.14 -1.22 0.58 0.09 0.00 0.00 178.44 177.99 2fki h VAL 116 N 0.00 1.32 -0.12 1.22 2.07 -0.42 -3.34 116.25 116.98 2fki h VAL 116 Ca -0.00 -2.54 -0.01 0.00 0.82 0.00 0.00 66.70 64.97 2fki h VAL 116 Cb 0.33 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 2fki h VAL 116 CO 0.02 0.77 0.05 1.56 0.02 0.00 0.00 177.57 179.99 2fki h GLN 117 N 0.24 0.17 0.00 1.57 4.20 -0.83 -3.52 115.11 116.95 2fki h GLN 117 Ca -0.17 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2fki h GLN 117 Cb 1.90 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.65 2fki h GLN 117 CO 0.23 0.25 0.00 1.28 -0.67 0.00 0.00 178.83 179.92