#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 3.31 0.20 3.17 -4.23 -1.26 -5.01 115.64 111.82 2fki s THR 2 Ca 0.00 -0.91 -0.10 0.00 -1.18 0.00 0.00 61.69 59.50 2fki s THR 2 Cb 0.00 -3.15 0.13 0.00 1.34 0.00 0.00 72.50 70.83 2fki s THR 2 CO 0.00 -0.07 1.81 0.40 -0.54 0.00 0.00 174.62 176.23 2fki h ILE 3 N 0.60 1.22 -0.79 2.99 2.04 -1.99 -2.59 117.51 118.99 2fki h ILE 3 Ca -0.42 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 2fki h ILE 3 Cb 1.27 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 2fki h ILE 3 CO 0.49 0.24 0.33 0.77 0.00 0.00 0.00 178.15 179.98 2fki h SER 4 N 0.98 1.07 -0.67 1.72 4.64 -1.98 0.42 113.55 119.72 2fki h SER 4 Ca 0.25 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.35 2fki h SER 4 Cb 0.04 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 2fki h SER 4 CO -0.04 0.93 0.16 -0.33 -0.87 0.00 0.00 176.83 176.69 2fki h GLU 5 N 1.14 1.08 -0.38 4.77 5.08 -1.92 0.13 114.58 124.48 2fki h GLU 5 Ca 0.26 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2fki h GLU 5 Cb 0.19 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2fki h GLU 5 CO -0.02 0.96 0.06 1.25 -1.00 0.00 0.00 179.01 180.26 2fki h LEU 6 N 1.01 0.60 -1.06 1.33 5.85 -1.02 -1.06 115.31 120.95 2fki h LEU 6 Ca 0.21 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2fki h LEU 6 Cb 0.37 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2fki h LEU 6 CO 0.00 0.70 0.34 -0.07 -0.34 0.00 0.00 178.44 179.07 2fki h LEU 7 N 0.47 0.91 -0.59 2.25 3.38 -0.70 -0.60 115.31 120.43 2fki h LEU 7 Ca 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2fki h LEU 7 Cb 0.36 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2fki h LEU 7 CO 0.01 0.77 0.29 -0.61 0.09 0.00 0.00 178.44 178.98 2fki h GLN 8 N 1.00 0.85 -0.27 1.13 4.15 -0.67 -1.61 115.11 119.69 2fki h GLN 8 Ca 0.25 -0.13 -0.07 0.00 0.77 0.00 0.00 58.65 59.47 2fki h GLN 8 Cb 0.10 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 2fki h GLN 8 CO -0.03 0.69 -0.13 -0.92 -1.93 0.00 0.00 178.83 176.51 2fki h TYR 9 N 0.81 0.49 0.00 3.99 3.20 -0.50 -1.96 116.97 123.00 2fki h TYR 9 Ca 0.20 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 2fki h TYR 9 Cb 0.12 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2fki h TYR 9 CO -0.00 0.57 -0.40 0.00 -1.64 0.00 0.00 178.16 176.69 2fki n MET 11 N -3.50 0.14 -0.11 0.00 2.81 -0.63 -2.21 117.12 113.62 2fki n MET 11 Ca 0.00 0.20 0.07 0.00 -1.81 0.00 0.00 57.70 56.16 2fki n MET 11 Cb 0.54 -1.69 0.26 0.00 -0.71 0.00 0.00 33.22 31.62 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 -1.66 2.49 -3.37 3.04 0.00 -0.93 -4.68 120.51 115.40 2fki n ALA 12 Ca 0.05 -0.47 -0.38 0.00 0.00 0.00 0.00 53.44 52.64 2fki n ALA 12 Cb 0.33 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.72 2.51 0.23 0.00 -0.14 -0.94 -5.08 119.74 114.60 2fki s LYS 13 Ca 0.25 -1.36 -0.32 0.00 -1.36 0.00 0.00 55.97 53.18 2fki s LYS 13 Cb 0.13 -3.54 -0.13 0.00 -1.68 0.00 0.00 37.83 32.62 2fki s LYS 13 CO 0.19 -0.80 1.59 -0.35 -0.76 0.00 0.00 175.35 175.22 2fki n PRO 14 N 4.79 2.47 0.00 -1.68 -0.04 -1.26 -2.28 135.00 137.00 2fki n PRO 14 Ca -0.10 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 2fki n PRO 14 Cb 0.44 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 2fki n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fki n GLY 15 N 2.94 2.68 3.72 0.55 0.00 -1.26 -5.01 105.19 108.81 2fki n GLY 15 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.65 3.27 0.13 4.61 0.00 -0.97 -4.28 121.76 121.88 2fki s ALA 16 Ca 0.00 0.68 0.10 0.00 0.00 0.00 0.00 51.96 52.74 2fki s ALA 16 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2fki s ALA 16 CO 0.00 -0.25 -0.24 -2.00 0.00 0.00 0.00 175.76 173.27 2fki s GLU 17 N 0.66 1.30 -0.22 0.00 2.56 0.99 -4.93 118.70 119.05 2fki s GLU 17 Ca 0.53 -1.31 -0.20 0.00 0.00 0.00 0.00 54.97 53.99 2fki s GLU 17 Cb -0.25 -1.66 -0.02 0.00 2.00 0.00 0.00 34.13 34.20 2fki s GLU 17 CO 0.30 0.38 0.61 -1.14 -0.56 0.00 0.00 175.26 174.85 2fki s GLN 18 N -2.13 4.16 -0.30 4.30 0.74 -1.26 -2.62 119.66 122.56 2fki s GLN 18 Ca 0.12 0.56 0.03 0.00 0.05 0.00 0.00 55.36 56.11 2fki s GLN 18 Cb -0.09 -3.61 0.08 0.00 1.10 0.00 0.00 33.01 30.49 2fki s GLN 18 CO 0.06 -0.30 -0.01 -1.12 -0.55 0.00 0.00 175.29 173.37 2fki s SER 19 N 1.31 4.47 -0.27 6.67 0.01 -0.15 -4.99 113.70 120.74 2fki s SER 19 Ca 0.27 -1.73 -0.12 0.00 1.31 0.00 0.00 55.95 55.68 2fki s SER 19 Cb -0.16 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.56 2fki s SER 19 CO 0.09 -0.30 0.23 0.54 0.41 0.00 0.00 173.24 174.21 2fki s VAL 20 N 1.10 5.28 -0.06 3.43 0.11 -1.26 -0.17 120.40 128.83 2fki s VAL 20 Ca 0.02 0.28 0.04 0.00 -2.93 0.00 0.00 61.98 59.39 2fki s VAL 20 Cb -0.19 -3.57 -0.02 0.00 -1.53 0.00 0.00 36.38 31.07 2fki s VAL 20 CO -0.08 0.24 -0.18 -1.00 -3.33 0.00 0.00 175.10 170.75 2fki s HIS 21 N 1.73 2.62 -1.38 1.54 3.76 -1.19 -5.00 115.29 117.38 2fki s HIS 21 Ca 0.09 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 2fki s HIS 21 Cb -0.16 -1.65 0.00 0.00 1.11 0.00 0.00 32.58 31.89 2fki s HIS 21 CO 0.10 0.00 0.41 0.09 -0.85 0.00 0.00 174.74 174.49 2fki n ASN 22 N 2.69 0.37 0.41 1.40 3.02 -1.26 -1.02 115.26 120.87 2fki n ASN 22 Ca -0.17 -1.20 -0.18 0.00 -0.03 0.00 0.00 54.58 53.00 2fki n ASN 22 Cb 0.52 -0.19 -0.09 0.00 -0.61 0.00 0.00 39.78 39.42 2fki n ASN 22 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2fki h ASP 23 N 0.25 -0.89 0.00 6.41 3.58 -1.94 -3.35 116.42 120.48 2fki h ASP 23 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2fki h ASP 23 Cb 0.19 0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2fki h ASP 23 CO 0.00 -0.58 0.00 0.79 -2.88 0.00 0.00 179.24 176.57 2fki n TRP 24 N -5.51 0.00 -1.89 0.28 7.02 -1.22 -4.95 117.44 111.17 2fki n TRP 24 Ca -0.14 -0.13 -0.20 0.00 -1.02 0.00 0.00 57.50 56.01 2fki n TRP 24 Cb 0.42 -0.01 -0.06 0.00 -2.42 0.00 0.00 31.31 29.25 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 -0.13 -1.47 -2.76 -0.99 4.81 -0.19 -4.91 118.16 112.52 2fki n LYS 25 Ca 0.00 1.11 -0.29 0.00 -0.87 0.00 0.00 58.31 58.26 2fki n LYS 25 Cb 0.09 -5.56 -0.02 0.00 0.02 0.00 0.00 35.03 29.56 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 -2.84 3.38 -0.31 3.14 0.00 -1.20 -4.79 121.76 119.13 2fki s ALA 26 Ca 0.00 -0.35 -0.19 0.00 0.00 0.00 0.00 51.96 51.42 2fki s ALA 26 Cb 0.00 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.47 2fki s ALA 26 CO 0.00 -0.16 0.57 0.99 0.00 0.00 0.00 175.76 177.15 2fki s THR 27 N -2.54 4.99 -0.27 0.00 2.01 -1.21 -3.19 115.64 115.44 2fki s THR 27 Ca 0.49 0.71 -0.11 0.00 0.31 0.00 0.00 61.69 63.10 2fki s THR 27 Cb -0.10 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 2fki s THR 27 CO 0.38 -0.10 0.18 -1.10 -0.69 0.00 0.00 174.62 173.28 2fki s GLN 28 N 2.47 3.96 -0.32 4.92 -0.21 0.76 -1.37 119.66 129.88 2fki s GLN 28 Ca 0.22 -0.32 -0.10 0.00 0.02 0.00 0.00 55.36 55.18 2fki s GLN 28 Cb -0.15 -3.61 -0.01 0.00 1.00 0.00 0.00 33.01 30.24 2fki s GLN 28 CO 0.12 -0.13 0.17 0.42 -2.12 0.00 0.00 175.29 173.74 2fki s ILE 29 N 1.61 4.71 0.16 1.08 1.01 -1.13 -0.98 121.20 127.65 2fki s ILE 29 Ca 0.07 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.38 2fki s ILE 29 Cb -0.15 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 2fki s ILE 29 CO 0.09 0.04 -0.13 -1.59 0.00 0.00 0.00 174.94 173.36 2fki s LYS 30 N 1.63 1.13 0.00 2.79 -2.85 -1.08 -3.78 119.74 117.58 2fki s LYS 30 Ca 0.05 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.59 2fki s LYS 30 Cb -0.17 -0.85 0.00 0.00 -2.06 0.00 0.00 37.83 34.74 2fki s LYS 30 CO 0.07 0.14 0.00 0.28 0.10 0.00 0.00 175.35 175.94 2fki n VAL 31 N -0.03 0.00 0.09 1.79 0.31 0.34 -0.01 118.33 120.82 2fki n VAL 31 Ca -0.11 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.17 2fki n VAL 31 Cb 0.59 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.50 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 -0.29 0.00 5.55 4.39 -2.00 -3.40 114.58 118.83 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 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2fki h GLU 32 CO 0.00 -0.20 0.00 -3.47 -1.16 0.00 0.00 179.01 174.18 2fki n ASP 33 N -3.18 0.42 -4.45 1.42 2.03 -1.26 -5.03 116.55 106.50 2fki n ASP 33 Ca -0.04 -1.15 -0.43 0.00 0.52 0.00 0.00 54.79 53.69 2fki n ASP 33 Cb 0.14 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.46 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 -0.15 5.10 -0.49 5.18 1.01 -1.26 -5.02 120.40 124.78 2fki s VAL 34 Ca 0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 2fki s VAL 34 Cb 0.00 -4.10 0.06 0.00 0.00 0.00 0.00 36.38 32.34 2fki s VAL 34 CO 0.00 -0.52 0.55 -0.22 0.00 0.00 0.00 175.10 174.91 2fki s LEU 35 N 2.05 5.12 -0.14 3.92 0.20 -1.26 -0.50 118.68 128.07 2fki s LEU 35 Ca 0.10 -0.99 0.06 0.00 0.69 0.00 0.00 54.13 53.99 2fki s LEU 35 Cb -0.20 -2.38 -0.23 0.00 -0.43 0.00 0.00 46.19 42.95 2fki s LEU 35 CO 0.11 -0.80 0.29 2.22 -0.29 0.00 0.00 176.35 177.88 2fki n PHE 36 N 5.87 0.69 -3.69 5.38 -1.74 -1.25 -4.79 117.46 117.93 2fki n PHE 36 Ca -0.08 0.19 -0.13 0.00 -0.56 0.00 0.00 57.45 56.87 2fki n PHE 36 Cb 0.45 -1.11 -0.09 0.00 1.52 0.00 0.00 39.48 40.25 2fki n PHE 36 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2fki s ALA 37 N -2.55 -1.31 -0.02 1.98 0.00 -1.26 -1.50 121.76 117.10 2fki s ALA 37 Ca -0.17 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.31 2fki s ALA 37 Cb 0.07 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.33 2fki s ALA 37 CO 0.77 -0.25 -0.02 0.00 0.00 0.00 0.00 175.76 176.25 2fki s MET 38 N 0.35 0.40 -0.74 0.00 0.23 -0.02 -2.85 119.30 116.66 2fki s MET 38 Ca -0.01 -0.04 -0.24 0.00 -1.03 0.00 0.00 55.69 54.38 2fki s MET 38 Cb -0.04 -0.48 0.06 0.00 -1.53 0.00 0.00 34.83 32.85 2fki s MET 38 CO -0.00 -0.04 1.12 0.14 -2.03 0.00 0.00 175.02 174.21 2fki s VAL 39 N 0.57 4.14 -0.52 5.16 -7.23 -0.47 0.18 120.40 122.23 2fki s VAL 39 Ca -0.06 -0.27 -0.20 0.00 -1.81 0.00 0.00 61.98 59.64 2fki s VAL 39 Cb -0.09 -4.80 0.06 0.00 0.56 0.00 0.00 36.38 32.11 2fki s VAL 39 CO -0.01 -1.63 0.67 -0.54 -0.31 0.00 0.00 175.10 173.28 2fki s LYS 40 N 4.53 3.14 0.03 4.82 -0.14 -0.83 -3.31 119.74 127.99 2fki s LYS 40 Ca 0.29 -0.86 -0.21 0.00 -1.36 0.00 0.00 55.97 53.83 2fki s LYS 40 Cb -0.11 -4.11 -0.06 0.00 -1.68 0.00 0.00 37.83 31.87 2fki s LYS 40 CO 0.08 -1.29 0.61 -2.00 -0.76 0.00 0.00 175.35 171.99 2fki s GLU 41 N 2.80 4.31 -0.07 1.68 -6.30 -1.26 -4.38 118.70 115.47 2fki s GLU 41 Ca 0.16 0.78 -0.01 0.00 -2.50 0.00 0.00 54.97 53.41 2fki s GLU 41 Cb -0.19 -3.30 0.03 0.00 0.00 0.00 0.00 34.13 30.66 2fki s GLU 41 CO 0.12 0.46 -0.02 0.54 0.02 0.00 0.00 175.26 176.38 2fki s VAL 42 N -0.54 0.53 -1.52 3.70 0.11 -1.22 -4.81 120.40 116.65 2fki s VAL 42 Ca 0.31 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 2fki s VAL 42 Cb -0.19 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.02 2fki s VAL 42 CO 0.19 0.28 0.00 -0.62 -3.33 0.00 0.00 175.10 171.61 2fki n GLU 43 N 4.93 -1.40 -1.63 1.54 1.02 -1.26 -1.32 120.64 122.53 2fki n GLU 43 Ca -0.11 0.87 -0.14 0.00 -0.02 0.00 0.00 57.16 57.76 2fki n GLU 43 Cb 0.50 -5.33 -0.05 0.00 -0.02 0.00 0.00 31.44 26.54 2fki n GLU 43 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2fki n ASN 44 N -1.34 -4.56 -4.70 1.62 4.05 -1.26 -5.00 115.26 104.08 2fki n ASN 44 Ca -0.21 0.25 -0.36 0.00 0.45 0.00 0.00 54.58 54.71 2fki n ASN 44 Cb 0.66 -3.39 -0.09 0.00 1.23 0.00 0.00 39.78 38.19 2fki n ASN 44 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 2fki s ARG 45 N -3.57 4.14 -0.24 1.20 1.81 -0.43 -5.04 118.95 116.82 2fki s ARG 45 Ca 0.00 -0.21 -0.28 0.00 -1.72 0.00 0.00 55.73 53.52 2fki s ARG 45 Cb 0.00 -3.48 -0.04 0.00 -0.45 0.00 0.00 34.95 30.98 2fki s ARG 45 CO 0.00 0.18 2.16 -1.25 -0.68 0.00 0.00 175.30 175.71 2fki s PRO 46 N 0.70 3.14 -0.03 3.54 0.04 -1.26 -3.40 135.00 137.73 2fki s PRO 46 Ca 0.09 1.93 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 2fki s PRO 46 Cb -0.12 -4.35 0.03 0.00 0.04 0.00 0.00 34.50 30.10 2fki s PRO 46 CO 0.01 -2.09 0.03 0.00 0.04 0.00 0.00 177.00 175.00 2fki s ALA 47 N 8.15 0.25 -0.13 8.56 0.00 -1.26 -2.39 121.76 134.95 2fki s ALA 47 Ca 0.97 0.19 0.01 0.00 0.00 0.00 0.00 51.96 53.14 2fki s ALA 47 Cb -0.31 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 2fki s ALA 47 CO 0.35 -0.28 -0.17 0.54 0.00 0.00 0.00 175.76 176.20 2fki s VAL 48 N 1.56 2.65 -0.36 0.00 0.11 -1.07 -1.96 120.40 121.34 2fki s VAL 48 Ca -0.03 -0.80 -0.16 0.00 -2.93 0.00 0.00 61.98 58.07 2fki s VAL 48 Cb -0.13 -2.09 -0.00 0.00 -1.53 0.00 0.00 36.38 32.63 2fki s VAL 48 CO -0.03 0.53 0.39 -0.44 -3.33 0.00 0.00 175.10 172.22 2fki s SER 49 N 0.46 6.19 0.14 3.54 0.01 0.13 0.05 113.70 124.22 2fki s SER 49 Ca -0.12 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2fki s SER 49 Cb -0.16 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 2fki s SER 49 CO 0.05 -0.41 0.31 -0.76 0.41 0.00 0.00 173.24 172.84 2fki s LEU 50 N 2.07 4.31 -0.27 2.44 1.02 0.16 -0.84 118.68 127.56 2fki s LEU 50 Ca 0.12 0.29 0.04 0.00 0.02 0.00 0.00 54.13 54.61 2fki s LEU 50 Cb -0.17 -3.03 0.47 0.00 0.02 0.00 0.00 46.19 43.49 2fki s LEU 50 CO 0.12 0.05 1.55 1.17 0.02 0.00 0.00 176.35 179.26 2fki n LYS 51 N -0.35 2.27 -0.80 1.70 4.81 -0.57 -0.99 118.16 124.23 2fki n LYS 51 Ca -0.06 -2.04 0.00 0.00 -0.87 0.00 0.00 58.31 55.34 2fki n LYS 51 Cb 0.53 -1.85 0.00 0.00 0.02 0.00 0.00 35.03 33.74 2fki n LYS 51 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2fki n THR 52 N -0.36 -3.82 -4.50 3.15 -1.04 -1.26 -4.92 114.28 101.54 2fki n THR 52 Ca 0.35 1.05 -0.24 0.00 -2.04 0.00 0.00 64.05 63.17 2fki n THR 52 Cb 1.20 -2.33 -0.10 0.00 -1.82 0.00 0.00 70.33 67.27 2fki n THR 52 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2fki s SER 53 N -1.00 3.56 0.06 8.00 0.01 -1.26 -4.98 113.70 118.09 2fki s SER 53 Ca 0.00 -1.11 -0.21 0.00 1.31 0.00 0.00 55.95 55.94 2fki s SER 53 Cb 0.00 -0.31 -0.09 0.00 0.21 0.00 0.00 66.02 65.83 2fki s SER 53 CO 0.00 -0.10 1.33 -0.65 0.41 0.00 0.00 173.24 174.23 2fki h PRO 54 N 2.17 -0.47 0.00 12.44 0.11 -1.98 0.43 132.00 144.70 2fki h PRO 54 Ca -0.41 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 2fki h PRO 54 Cb 1.25 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.46 2fki h PRO 54 CO 0.65 -0.31 -0.14 0.93 -0.21 0.00 0.00 178.00 178.92 2fki h GLU 55 N -0.48 0.00 -0.51 1.05 3.07 -1.98 -2.07 114.58 113.66 2fki h GLU 55 Ca -0.01 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 2fki h GLU 55 Cb 0.47 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 2fki h GLU 55 CO -0.14 0.14 0.20 1.25 -1.40 0.00 0.00 179.01 179.06 2fki h LEU 56 N 0.00 0.70 -1.11 1.33 7.12 -1.76 -0.44 115.31 121.16 2fki h LEU 56 Ca -0.00 -0.17 -0.06 0.00 0.13 0.00 0.00 57.88 57.78 2fki h LEU 56 Cb 0.25 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.18 2fki h LEU 56 CO 0.02 0.68 0.01 0.00 -0.13 0.00 0.00 178.44 179.02 2fki h ALA 57 N 1.05 1.27 0.18 1.25 0.00 0.50 0.16 119.26 123.66 2fki h ALA 57 Ca 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2fki h ALA 57 Cb 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2fki h ALA 57 CO -0.01 0.49 -0.09 1.49 0.00 0.00 0.00 179.25 181.14 2fki h GLU 58 N 0.61 -0.23 -0.85 0.00 4.57 -0.97 -0.56 114.58 117.15 2fki h GLU 58 Ca 0.13 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.35 2fki h GLU 58 Cb 0.36 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.96 2fki h GLU 58 CO 0.01 -0.12 0.56 1.25 -1.18 0.00 0.00 179.01 179.52 2fki h LEU 59 N -0.27 0.92 -0.60 1.64 5.85 -0.64 -2.34 115.31 119.87 2fki h LEU 59 Ca -0.02 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 2fki h LEU 59 Cb 0.21 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2fki h LEU 59 CO 0.04 0.64 -0.04 0.25 -0.34 0.00 0.00 178.44 178.99 2fki h LEU 60 N 1.07 1.05 -0.04 2.25 5.85 -0.38 0.14 115.31 125.25 2fki h LEU 60 Ca 0.33 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2fki h LEU 60 Cb -0.01 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.74 2fki h LEU 60 CO -0.09 1.12 -0.01 0.03 -0.34 0.00 0.00 178.44 179.14 2fki h ARG 61 N 0.96 0.08 0.00 1.25 2.47 -0.60 -3.21 114.38 115.33 2fki h ARG 61 Ca 0.16 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2fki h ARG 61 Cb 0.60 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 2fki h ARG 61 CO 0.04 0.45 -0.44 1.96 0.56 0.00 0.00 179.97 182.54 2fki h GLN 62 N -0.31 0.00 -5.89 0.04 7.50 -1.49 -3.48 115.11 111.48 2fki h GLN 62 Ca 0.01 0.00 -0.36 0.00 0.50 0.00 0.00 58.65 58.80 2fki h GLN 62 Cb 0.43 0.00 0.12 0.00 0.05 0.00 0.00 27.48 28.08 2fki h GLN 62 CO 0.00 0.00 -0.86 1.04 -1.50 0.00 0.00 178.83 177.51 2fki n GLN 63 N -2.39 -3.28 0.05 1.46 6.02 0.49 -4.88 117.38 114.84 2fki n GLN 63 Ca 0.03 0.67 0.13 0.00 -0.01 0.00 0.00 57.00 57.83 2fki n GLN 63 Cb 0.47 -5.16 0.51 0.00 1.02 0.00 0.00 30.24 27.07 2fki n GLN 63 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2fki n HIS 64 N -3.92 0.39 -3.75 1.08 8.25 -1.18 -4.69 115.22 111.40 2fki n HIS 64 Ca -0.17 0.12 -0.12 0.00 -0.26 0.00 0.00 57.72 57.28 2fki n HIS 64 Cb 0.64 -0.70 -0.12 0.00 1.12 0.00 0.00 29.99 30.94 2fki n HIS 64 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2fki s SER 65 N -3.64 -0.32 -0.38 0.41 0.01 -1.26 -5.13 113.70 103.40 2fki s SER 65 Ca 0.11 0.61 -0.28 0.00 1.31 0.00 0.00 55.95 57.70 2fki s SER 65 Cb 0.15 0.57 0.02 0.00 0.21 0.00 0.00 66.02 66.98 2fki s SER 65 CO 0.52 -0.13 1.05 -0.62 0.41 0.00 0.00 173.24 174.48 2fki s ASP 66 N 0.54 6.78 -0.07 2.44 2.15 -1.26 -4.83 116.67 122.42 2fki s ASP 66 Ca -0.03 0.76 0.18 0.00 0.43 0.00 0.00 52.55 53.90 2fki s ASP 66 Cb -0.05 -2.52 -0.28 0.00 -0.30 0.00 0.00 42.92 39.77 2fki s ASP 66 CO -0.03 -0.98 0.32 0.55 -0.17 0.00 0.00 175.17 174.86 2fki n VAL 67 N 6.17 0.34 -2.72 1.11 3.14 -1.26 -4.79 118.33 120.33 2fki n VAL 67 Ca 0.11 -0.53 -0.03 0.00 -2.96 0.00 0.00 64.34 60.93 2fki n VAL 67 Cb 0.48 -0.10 -0.03 0.00 -1.06 0.00 0.00 33.84 33.13 2fki n VAL 67 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2fki n ARG 68 N -2.31 -3.74 -1.69 1.45 1.74 -1.26 -4.23 116.66 106.62 2fki n ARG 68 Ca -0.11 2.92 -0.38 0.00 -0.77 0.00 0.00 57.85 59.51 2fki n ARG 68 Cb 0.66 -4.63 -0.04 0.00 -1.02 0.00 0.00 32.46 27.43 2fki n ARG 68 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2fki n PRO 69 N 1.41 1.90 -3.53 5.56 -0.04 -1.26 -4.73 135.00 134.31 2fki n PRO 69 Ca -0.22 -2.31 -0.16 0.00 -0.04 0.00 0.00 63.50 60.76 2fki n PRO 69 Cb 0.37 -3.30 -0.13 0.00 -0.04 0.00 0.00 33.50 30.40 2fki n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2fki s SER 70 N 5.18 1.02 -0.19 3.54 0.15 -1.26 -4.91 113.70 117.23 2fki s SER 70 Ca 0.59 0.02 -0.15 0.00 0.70 0.00 0.00 55.95 57.12 2fki s SER 70 Cb 0.08 0.51 0.05 0.00 -1.71 0.00 0.00 66.02 64.96 2fki s SER 70 CO 0.10 -0.30 0.49 -0.60 1.20 0.00 0.00 173.24 174.13 2fki s ARG 71 N 2.36 0.54 0.55 5.44 6.06 -1.26 -4.88 118.95 127.76 2fki s ARG 71 Ca 0.06 0.77 0.33 0.00 -2.50 0.00 0.00 55.73 54.39 2fki s ARG 71 Cb -0.15 0.19 1.55 0.00 0.06 0.00 0.00 34.95 36.60 2fki s ARG 71 CO -0.11 -0.10 2.07 1.25 -2.50 0.00 0.00 175.30 175.91 2fki h HIS 72 N 6.00 0.00 0.00 5.12 -0.00 -2.00 -3.19 115.15 121.08 2fki h HIS 72 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 2fki h HIS 72 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 2fki h HIS 72 CO 0.32 0.07 0.00 1.28 -0.00 0.00 0.00 177.93 179.60 2fki n LEU 73 N -3.30 0.76 -3.13 0.26 4.77 -1.26 -4.90 117.00 110.19 2fki n LEU 73 Ca -0.01 0.46 0.03 0.00 -0.03 0.00 0.00 56.01 56.46 2fki n LEU 73 Cb 0.25 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2fki n LEU 73 CO 0.27 -0.14 0.18 0.21 -1.33 0.00 0.00 177.39 176.59 2fki s ASN 74 N -1.84 -1.33 0.53 -1.43 3.84 -1.23 -5.03 114.94 108.45 2fki s ASN 74 Ca 0.00 -0.23 0.31 0.00 0.21 0.00 0.00 52.86 53.15 2fki s ASN 74 Cb 0.00 1.76 1.43 0.00 -0.55 0.00 0.00 41.25 43.89 2fki s ASN 74 CO 0.00 -0.20 2.03 0.07 -2.79 0.00 0.00 177.10 176.21 2fki h LYS 75 N 7.27 0.00 -0.14 0.43 5.09 -1.69 0.17 116.57 127.70 2fki h LYS 75 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2fki h LYS 75 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.52 2fki h LYS 75 CO 0.08 0.09 0.00 0.00 -2.09 0.00 0.00 179.45 177.53 2fki n ALA 76 N -2.18 2.53 0.00 0.07 0.00 -1.26 -4.32 120.51 115.36 2fki n ALA 76 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2fki n ALA 76 Cb 0.28 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2fki n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2fki n HIS 77 N 0.08 -0.05 -3.82 0.00 8.25 -1.09 -5.07 115.22 113.51 2fki n HIS 77 Ca 0.15 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.25 2fki n HIS 77 Cb 0.26 0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.33 2fki n HIS 77 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2fki s TRP 78 N -1.07 3.49 -0.10 4.41 0.52 0.58 -4.22 118.94 122.54 2fki s TRP 78 Ca 0.00 0.42 0.02 0.00 0.02 0.00 0.00 56.10 56.56 2fki s TRP 78 Cb 0.00 -2.04 0.01 0.00 -1.15 0.00 0.00 33.47 30.29 2fki s TRP 78 CO 0.00 0.51 -0.16 -1.12 0.02 0.00 0.00 176.95 176.20 2fki s SER 79 N -0.34 2.45 -0.23 2.95 0.01 -0.16 -4.05 113.70 114.33 2fki s SER 79 Ca 0.11 -0.43 -0.08 0.00 1.31 0.00 0.00 55.95 56.87 2fki s SER 79 Cb -0.12 -1.10 -0.03 0.00 0.21 0.00 0.00 66.02 64.98 2fki s SER 79 CO 0.01 0.03 0.08 -0.89 0.41 0.00 0.00 173.24 172.88 2fki s THR 80 N 0.87 4.49 -0.43 1.44 2.01 -1.26 0.35 115.64 123.12 2fki s THR 80 Ca -0.09 -0.12 -0.25 0.00 0.31 0.00 0.00 61.69 61.55 2fki s THR 80 Cb -0.15 -3.08 0.02 0.00 0.01 0.00 0.00 72.50 69.29 2fki s THR 80 CO 0.00 0.36 0.89 -0.69 -0.69 0.00 0.00 174.62 174.49 2fki s VAL 81 N 1.32 4.55 -0.71 3.82 1.01 0.11 -4.75 120.40 125.75 2fki s VAL 81 Ca 0.05 0.80 -0.22 0.00 0.00 0.00 0.00 61.98 62.61 2fki s VAL 81 Cb -0.15 -4.37 0.08 0.00 0.00 0.00 0.00 36.38 31.94 2fki s VAL 81 CO 0.04 -0.71 0.99 -0.31 0.00 0.00 0.00 175.10 175.10 2fki s TYR 82 N 3.56 2.76 -0.55 5.22 2.02 -1.26 -2.58 117.35 126.51 2fki s TYR 82 Ca 0.35 -0.71 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 2fki s TYR 82 Cb -0.11 -4.29 0.51 0.00 -0.40 0.00 0.00 41.96 37.67 2fki s TYR 82 CO 0.23 -1.61 1.88 1.47 -1.57 0.00 0.00 175.55 175.95 2fki n LEU 83 N 7.48 6.95 0.12 -1.29 -0.00 -1.00 -4.55 117.00 124.71 2fki n LEU 83 Ca 0.01 -4.14 -0.01 0.00 -0.00 0.00 0.00 56.01 51.87 2fki n LEU 83 Cb 0.46 -0.86 0.03 0.00 -0.00 0.00 0.00 43.42 43.06 2fki n LEU 83 CO 0.62 1.42 0.39 -2.24 -0.00 0.00 0.00 177.39 177.58 2fki h ASP 84 N 1.71 0.00 0.00 1.45 2.03 -1.90 -3.38 116.42 116.33 2fki h ASP 84 Ca 0.57 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.76 2fki h ASP 84 Cb 1.43 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 39.76 2fki h ASP 84 CO 1.31 0.67 -0.50 0.61 -1.03 0.00 0.00 179.24 180.31 2fki n GLY 85 N 1.04 0.74 0.00 7.15 0.00 -1.26 -5.03 105.19 107.83 2fki n GLY 85 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2fki n GLY 85 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2fki n SER 86 N 0.15 0.00 -2.46 1.61 2.88 -1.26 -5.11 113.62 109.43 2fki n SER 86 Ca -0.09 -0.79 -0.04 0.00 -1.33 0.00 0.00 58.87 56.61 2fki n SER 86 Cb 0.80 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.23 2fki n SER 86 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2fki n LEU 87 N 0.00 -5.88 -4.72 2.46 7.99 -1.26 -4.55 117.00 111.05 2fki n LEU 87 Ca 0.00 1.86 -0.35 0.00 -0.01 0.00 0.00 56.01 57.51 2fki n LEU 87 Cb 0.00 -2.99 0.09 0.00 -0.11 0.00 0.00 43.42 40.42 2fki n LEU 87 CO 0.00 -3.37 0.83 -2.84 -1.51 0.00 0.00 177.39 170.50 2fki s PRO 88 N -0.85 2.13 0.16 3.23 0.02 -1.26 -4.78 135.00 133.64 2fki s PRO 88 Ca -0.21 1.87 -0.16 0.00 0.02 0.00 0.00 61.00 62.53 2fki s PRO 88 Cb 0.01 -1.82 0.05 0.00 0.02 0.00 0.00 34.50 32.76 2fki s PRO 88 CO 0.69 -1.87 1.79 -0.44 -0.33 0.00 0.00 177.00 176.84 2fki h ASP 89 N -0.17 0.34 0.06 2.53 3.32 -1.99 -1.42 116.42 119.08 2fki h ASP 89 Ca -0.48 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 2fki h ASP 89 Cb 1.31 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 2fki h ASP 89 CO 0.50 0.24 -0.11 0.28 -1.72 0.00 0.00 179.24 178.43 2fki h SER 90 N 0.44 0.12 -0.23 6.45 0.02 -1.98 0.20 113.55 118.56 2fki h SER 90 Ca 0.16 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2fki h SER 90 Cb 0.04 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2fki h SER 90 CO -0.09 0.26 -0.14 -0.61 -1.14 0.00 0.00 176.83 175.10 2fki h GLN 91 N 0.13 0.51 -0.39 3.45 5.75 -1.65 -1.14 115.11 121.77 2fki h GLN 91 Ca 0.03 -0.24 -0.07 0.00 -0.15 0.00 0.00 58.65 58.22 2fki h GLN 91 Cb 0.29 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 2fki h GLN 91 CO 0.02 0.80 -0.02 0.82 -2.65 0.00 0.00 178.83 177.80 2fki h ILE 92 N 0.22 1.26 -0.80 2.39 2.04 -0.87 -1.61 117.51 120.14 2fki h ILE 92 Ca 0.05 -1.04 0.17 0.00 1.00 0.00 0.00 64.86 65.04 2fki h ILE 92 Cb 0.66 1.16 -0.10 0.00 -0.74 0.00 0.00 36.82 37.80 2fki h ILE 92 CO 0.04 0.35 0.32 0.22 0.00 0.00 0.00 178.15 179.08 2fki h TYR 93 N 0.52 0.55 -0.32 1.37 5.03 -0.53 0.13 116.97 123.72 2fki h TYR 93 Ca 0.11 0.04 -0.09 0.00 2.58 0.00 0.00 58.73 61.37 2fki h TYR 93 Cb 0.50 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 2fki h TYR 93 CO 0.04 0.03 -0.15 -0.92 -1.32 0.00 0.00 178.16 175.84 2fki h TYR 94 N 0.43 0.76 -0.23 -3.82 3.20 -0.92 -3.18 116.97 113.21 2fki h TYR 94 Ca 0.46 -0.19 -0.20 0.00 3.14 0.00 0.00 58.73 61.94 2fki h TYR 94 Cb 0.75 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2fki h TYR 94 CO -0.16 0.87 -0.64 -0.07 -1.64 0.00 0.00 178.16 176.52 2fki h LEU 95 N 0.42 0.93 -0.45 2.82 3.38 -0.25 -2.86 115.31 119.30 2fki h LEU 95 Ca 0.07 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 2fki h LEU 95 Cb 0.67 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2fki h LEU 95 CO 0.04 1.34 0.17 0.58 0.09 0.00 0.00 178.44 180.66 2fki h VAL 96 N 0.60 1.21 -0.12 1.22 2.07 -0.86 -1.79 116.25 118.58 2fki h VAL 96 Ca -0.01 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 2fki h VAL 96 Cb 1.25 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2fki h VAL 96 CO 0.14 0.25 -0.31 0.44 0.02 0.00 0.00 177.57 178.10 2fki h ASP 97 N 0.59 0.22 0.30 0.57 3.32 -1.59 -1.69 116.42 118.14 2fki h ASP 97 Ca 0.15 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 2fki h ASP 97 Cb 0.22 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2fki h ASP 97 CO -0.01 0.53 -0.35 0.00 -1.72 0.00 0.00 179.24 177.70 2fki h ALA 98 N 1.49 1.35 -0.06 3.45 0.00 -1.23 0.23 119.26 124.49 2fki h ALA 98 Ca 0.03 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.42 2fki h ALA 98 Cb 0.65 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2fki h ALA 98 CO 0.05 0.47 -0.76 0.77 0.00 0.00 0.00 179.25 179.78 2fki h SER 99 N 0.07 0.43 0.18 0.00 0.02 -0.48 -2.77 113.55 111.00 2fki h SER 99 Ca 0.01 -0.29 -0.19 0.00 -0.84 0.00 0.00 61.79 60.48 2fki h SER 99 Cb 0.65 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2fki h SER 99 CO 0.05 1.04 -0.73 0.22 -1.14 0.00 0.00 176.83 176.27 2fki h TYR 100 N 0.23 0.64 -0.16 3.45 3.20 -0.92 -3.18 116.97 120.23 2fki h TYR 100 Ca -0.03 -0.28 0.05 0.00 3.14 0.00 0.00 58.73 61.61 2fki h TYR 100 Cb 1.34 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 39.46 2fki h TYR 100 CO 0.04 1.04 -0.19 0.37 -1.64 0.00 0.00 178.16 177.79 2fki h GLN 101 N 0.32 -0.22 -0.36 1.82 5.75 -0.42 -1.18 115.11 120.82 2fki h GLN 101 Ca -0.03 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2fki h GLN 101 Cb 1.31 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.89 2fki h GLN 101 CO 0.13 -0.14 0.20 -0.56 -2.65 0.00 0.00 178.83 175.80 2fki h GLN 102 N -0.23 0.49 -0.66 1.69 3.07 -1.56 -2.06 115.11 115.85 2fki h GLN 102 Ca 0.11 -0.04 -0.08 0.00 0.09 0.00 0.00 58.65 58.73 2fki h GLN 102 Cb 0.39 -0.10 -0.03 0.00 0.08 0.00 0.00 27.48 27.82 2fki h GLN 102 CO -0.29 0.36 0.11 0.00 0.09 0.00 0.00 178.83 179.09 2fki h ALA 103 N 1.73 0.88 -0.08 0.06 0.00 -1.24 -1.31 119.26 119.30 2fki h ALA 103 Ca 0.13 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2fki h ALA 103 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2fki h ALA 103 CO -0.02 0.65 -0.20 0.28 0.00 0.00 0.00 179.25 179.96 2fki h VAL 104 N 1.02 1.18 0.00 0.00 2.07 -0.58 -0.87 116.25 119.07 2fki h VAL 104 Ca 0.20 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 2fki h VAL 104 Cb 0.44 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2fki h VAL 104 CO 0.01 0.25 -0.37 0.78 0.02 0.00 0.00 177.57 178.26 2fki h ASN 105 N 0.12 0.00 0.90 0.57 2.35 -0.99 -3.00 115.58 115.53 2fki h ASN 105 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2fki h ASN 105 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2fki h ASN 105 CO 0.03 0.37 -0.42 0.18 -1.65 0.00 0.00 177.43 175.94 2fki n LEU 106 N -3.29 0.59 -4.75 1.61 4.77 -0.55 -4.84 117.00 110.54 2fki n LEU 106 Ca 0.01 0.27 -0.40 0.00 -0.03 0.00 0.00 56.01 55.86 2fki n LEU 106 Cb 0.61 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.39 2fki n LEU 106 CO 0.38 -0.03 0.54 -0.76 -1.33 0.00 0.00 177.39 176.19 2fki s LEU 107 N -3.87 4.51 1.14 2.23 1.43 -0.43 -5.06 118.68 118.63 2fki s LEU 107 Ca 0.09 1.62 -0.14 0.00 -1.03 0.00 0.00 54.13 54.68 2fki s LEU 107 Cb 0.15 -3.37 0.26 0.00 0.03 0.00 0.00 46.19 43.26 2fki s LEU 107 CO 0.67 0.05 1.05 -2.84 0.23 0.00 0.00 176.35 175.50 2fki s PRO 108 N -0.36 -0.71 0.19 1.29 0.02 -1.26 -4.73 135.00 129.45 2fki s PRO 108 Ca 0.40 0.59 -0.11 0.00 0.02 0.00 0.00 61.00 61.90 2fki s PRO 108 Cb -0.22 -1.60 0.21 0.00 0.02 0.00 0.00 34.50 32.91 2fki s PRO 108 CO 0.26 -3.52 1.76 1.49 -0.33 0.00 0.00 177.00 176.67 2fki h GLU 109 N -2.46 0.43 -0.60 5.54 4.57 -1.97 -2.07 114.58 118.02 2fki h GLU 109 Ca -0.58 -0.03 0.12 0.00 -1.18 0.00 0.00 59.36 57.69 2fki h GLU 109 Cb 1.34 -0.10 -0.11 0.00 -0.16 0.00 0.00 28.75 29.71 2fki h GLU 109 CO 0.51 0.29 -0.15 1.49 -1.18 0.00 0.00 179.01 179.97 2fki h GLU 110 N 0.45 0.00 -0.13 1.92 4.81 -1.99 0.31 114.58 119.94 2fki h GLU 110 Ca 0.27 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 2fki h GLU 110 Cb 0.27 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 2fki h GLU 110 CO -0.24 0.00 -0.08 0.87 -0.73 0.00 0.00 179.01 178.84 2fki h LYS 111 N 0.00 0.29 -0.96 1.92 6.56 -1.78 -3.08 116.57 119.52 2fki h LYS 111 Ca 0.29 -0.13 0.03 0.00 -1.06 0.00 0.00 60.65 59.77 2fki h LYS 111 Cb 0.44 -0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 32.04 2fki h LYS 111 CO -0.61 0.64 0.63 0.00 -2.06 0.00 0.00 179.45 178.04 2fki h ARG 112 N -0.06 1.21 -0.45 3.15 3.08 -0.67 -1.86 114.38 118.77 2fki h ARG 112 Ca 0.03 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2fki h ARG 112 Cb 0.56 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2fki h ARG 112 CO 0.02 0.80 0.26 0.87 -1.07 0.00 0.00 179.97 180.85 2fki h LYS 113 N 1.24 0.60 -0.18 0.04 1.79 -0.37 -1.95 116.57 117.74 2fki h LYS 113 Ca 0.37 -0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 58.67 2fki h LYS 113 Cb -0.06 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.46 2fki h LYS 113 CO -0.10 0.43 -0.37 -0.07 -1.08 0.00 0.00 179.45 178.26 2fki h LEU 114 N 0.61 0.64 -1.89 2.94 3.38 -1.28 -3.22 115.31 116.49 2fki h LEU 114 Ca 0.16 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 2fki h LEU 114 Cb -0.01 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2fki h LEU 114 CO -0.03 1.07 -0.11 -0.07 0.09 0.00 0.00 178.44 179.39 2fki h LEU 115 N 0.24 0.00 -1.18 1.67 3.38 -0.68 -2.59 115.31 116.14 2fki h LEU 115 Ca 0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2fki h LEU 115 Cb 0.96 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 2fki h LEU 115 CO 0.08 0.11 0.56 0.58 0.09 0.00 0.00 178.44 179.86 2fki h VAL 116 N 0.00 1.19 0.00 1.22 2.07 -1.39 -2.63 116.25 116.72 2fki h VAL 116 Ca -0.00 -0.38 -0.13 0.00 0.82 0.00 0.00 66.70 67.01 2fki h VAL 116 Cb 0.24 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2fki h VAL 116 CO 0.01 0.20 -0.63 1.56 0.02 0.00 0.00 177.57 178.74 2fki h GLN 117 N 1.11 0.00 -0.01 1.57 1.08 -1.61 -3.52 115.11 113.73 2fki h GLN 117 Ca 0.31 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 2fki h GLN 117 Cb -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 2fki h GLN 117 CO -0.08 0.63 0.00 1.28 -0.95 0.00 0.00 178.83 179.71