#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 5.13 0.35 1.12 2.01 -1.26 -5.00 115.64 117.99 2fki s THR 2 Ca 0.00 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.61 2fki s THR 2 Cb 0.00 -3.82 0.21 0.00 0.01 0.00 0.00 72.50 68.90 2fki s THR 2 CO 0.00 -0.43 1.95 0.40 -0.69 0.00 0.00 174.62 175.85 2fki h ILE 3 N 1.03 1.17 -0.97 1.82 1.08 -2.03 -1.94 117.51 117.67 2fki h ILE 3 Ca -0.49 -0.51 0.07 0.00 -0.39 0.00 0.00 64.86 63.53 2fki h ILE 3 Cb 1.21 0.58 -0.07 0.00 -3.07 0.00 0.00 36.82 35.48 2fki h ILE 3 CO 0.63 0.21 0.63 0.28 -0.69 0.00 0.00 178.15 179.21 2fki h SER 4 N 0.68 0.98 -0.25 1.72 0.02 -1.99 0.41 113.55 115.12 2fki h SER 4 Ca 0.17 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 2fki h SER 4 Cb 0.11 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 2fki h SER 4 CO -0.02 0.62 -0.26 -0.33 -1.14 0.00 0.00 176.83 175.70 2fki h GLU 5 N 1.11 0.63 -0.63 3.45 5.08 -1.77 -2.48 114.58 119.97 2fki h GLU 5 Ca 0.42 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 2fki h GLU 5 Cb 0.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2fki h GLU 5 CO -0.17 0.94 0.07 1.25 -1.00 0.00 0.00 179.01 180.10 2fki h LEU 6 N 0.35 1.01 -0.01 1.33 7.12 -0.87 -1.19 115.31 123.05 2fki h LEU 6 Ca 0.04 -0.25 0.02 0.00 0.13 0.00 0.00 57.88 57.82 2fki h LEU 6 Cb 0.83 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.67 2fki h LEU 6 CO 0.07 1.02 -0.08 0.25 -0.13 0.00 0.00 178.44 179.57 2fki h LEU 7 N 0.98 -0.23 -1.48 2.25 7.12 -0.15 -1.32 115.31 122.47 2fki h LEU 7 Ca 0.19 0.04 -0.04 0.00 0.13 0.00 0.00 57.88 58.19 2fki h LEU 7 Cb 0.46 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.69 2fki h LEU 7 CO 0.02 -0.12 -0.13 -0.61 -0.13 0.00 0.00 178.44 177.47 2fki h GLN 8 N -0.13 0.18 -0.43 1.25 4.15 -1.23 -1.13 115.11 117.77 2fki h GLN 8 Ca 0.04 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 2fki h GLN 8 Cb 0.18 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2fki h GLN 8 CO -0.09 0.32 0.05 -0.92 -1.93 0.00 0.00 178.83 176.25 2fki h TYR 9 N 0.17 0.69 -0.12 3.99 3.20 -0.53 -2.13 116.97 122.24 2fki h TYR 9 Ca 0.04 -0.07 -0.20 0.00 3.14 0.00 0.00 58.73 61.64 2fki h TYR 9 Cb 0.34 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2fki h TYR 9 CO 0.00 0.63 -0.73 0.00 -1.64 0.00 0.00 178.16 176.42 2fki n MET 11 N -3.89 0.05 0.00 0.00 2.81 -0.66 -1.51 117.12 113.91 2fki n MET 11 Ca -0.05 0.17 0.14 0.00 -1.81 0.00 0.00 57.70 56.15 2fki n MET 11 Cb 0.72 -1.50 0.67 0.00 -0.71 0.00 0.00 33.22 32.39 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 -1.46 2.70 -2.64 3.04 0.00 -0.83 -4.75 120.51 116.57 2fki n ALA 12 Ca 0.05 -0.26 -0.37 0.00 0.00 0.00 0.00 53.44 52.86 2fki n ALA 12 Cb 0.20 -1.36 -0.10 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.38 4.02 0.16 0.00 -0.14 -0.57 -5.06 119.74 115.77 2fki s LYS 13 Ca 0.32 -0.29 -0.32 0.00 -1.36 0.00 0.00 55.97 54.33 2fki s LYS 13 Cb 0.20 -3.58 -0.10 0.00 -1.68 0.00 0.00 37.83 32.68 2fki s LYS 13 CO 0.45 -0.03 1.55 -2.14 -0.76 0.00 0.00 175.35 174.41 2fki s PRO 14 N 1.32 4.23 0.00 -1.68 0.02 -1.26 -2.91 135.00 134.72 2fki s PRO 14 Ca 0.07 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.42 2fki s PRO 14 Cb -0.14 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.21 2fki s PRO 14 CO 0.07 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 2fki n GLY 15 N 3.72 2.26 3.80 0.52 0.00 -1.26 -4.97 105.19 109.25 2fki n GLY 15 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.64 3.55 0.15 4.61 0.00 -1.14 -4.18 121.76 122.11 2fki s ALA 16 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.02 2fki s ALA 16 Cb 0.00 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 2fki s ALA 16 CO 0.00 0.35 0.18 -2.00 0.00 0.00 0.00 175.76 174.29 2fki s GLU 17 N -1.03 1.05 0.24 0.00 2.12 -0.76 -4.89 118.70 115.43 2fki s GLU 17 Ca 0.31 -1.30 -0.11 0.00 0.36 0.00 0.00 54.97 54.23 2fki s GLU 17 Cb -0.20 0.31 -0.07 0.00 0.26 0.00 0.00 34.13 34.43 2fki s GLU 17 CO 0.20 -0.35 0.58 -0.65 -0.54 0.00 0.00 175.26 174.50 2fki s GLN 18 N -4.01 3.84 0.09 4.30 -0.21 -1.26 -2.57 119.66 119.85 2fki s GLN 18 Ca 0.21 0.35 -0.07 0.00 0.02 0.00 0.00 55.36 55.86 2fki s GLN 18 Cb 0.05 -2.64 -0.01 0.00 1.00 0.00 0.00 33.01 31.41 2fki s GLN 18 CO 0.01 0.31 0.15 -1.12 -2.12 0.00 0.00 175.29 172.52 2fki s SER 19 N -2.29 0.19 -0.03 5.90 0.01 0.33 -4.92 113.70 112.88 2fki s SER 19 Ca 0.48 -0.74 -0.16 0.00 1.31 0.00 0.00 55.95 56.84 2fki s SER 19 Cb -0.11 0.32 0.03 0.00 0.21 0.00 0.00 66.02 66.46 2fki s SER 19 CO 0.20 -0.71 0.36 0.54 0.41 0.00 0.00 173.24 174.04 2fki s VAL 20 N -3.88 0.05 0.01 3.43 0.11 -1.25 0.61 120.40 119.48 2fki s VAL 20 Ca 0.06 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 58.74 2fki s VAL 20 Cb 0.05 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.24 2fki s VAL 20 CO -0.10 -0.21 -0.07 -1.00 -3.33 0.00 0.00 175.10 170.39 2fki s HIS 21 N -1.20 0.57 -0.32 1.54 3.76 -1.22 -5.00 115.29 113.42 2fki s HIS 21 Ca -0.12 -0.24 -0.27 0.00 -0.15 0.00 0.00 55.06 54.27 2fki s HIS 21 Cb -0.04 -0.36 0.01 0.00 1.11 0.00 0.00 32.58 33.30 2fki s HIS 21 CO 0.05 -0.03 0.99 -0.80 -0.85 0.00 0.00 174.74 174.09 2fki s ASN 22 N -0.67 6.85 0.00 1.40 0.01 -1.26 -3.47 114.94 117.80 2fki s ASN 22 Ca -0.02 0.93 0.00 0.00 -0.71 0.00 0.00 52.86 53.05 2fki s ASN 22 Cb -0.05 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 39.11 2fki s ASN 22 CO 0.00 -0.81 0.00 -0.67 -1.51 0.00 0.00 177.10 174.11 2fki n ASP 23 N 6.69 0.00 -0.27 -1.22 -0.08 -1.26 -4.92 116.55 115.49 2fki n ASP 23 Ca 0.10 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.43 2fki n ASP 23 Cb 0.47 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.02 2fki n ASP 23 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 2fki n TRP 24 N 0.00 0.00 -3.24 -0.67 2.14 -1.26 -5.03 117.44 109.37 2fki n TRP 24 Ca 0.00 -0.59 -0.14 0.00 2.07 0.00 0.00 57.50 58.84 2fki n TRP 24 Cb 0.00 -0.11 0.01 0.00 -0.81 0.00 0.00 31.31 30.40 2fki n TRP 24 CO 0.00 0.00 0.00 1.17 2.07 0.00 0.00 177.69 180.93 2fki n LYS 25 N -0.82 -1.77 -3.23 -2.67 4.81 -1.25 -3.88 118.16 109.36 2fki n LYS 25 Ca 0.09 1.50 -0.44 0.00 -0.87 0.00 0.00 58.31 58.59 2fki n LYS 25 Cb 0.67 -4.34 -0.07 0.00 0.02 0.00 0.00 35.03 31.31 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 -2.63 3.42 -0.33 3.14 0.00 -1.23 -4.14 121.76 120.00 2fki s ALA 26 Ca 0.14 -1.68 -0.28 0.00 0.00 0.00 0.00 51.96 50.14 2fki s ALA 26 Cb -0.03 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.89 2fki s ALA 26 CO 0.81 -1.83 1.04 0.99 0.00 0.00 0.00 175.76 176.77 2fki s THR 27 N 2.37 4.53 -0.10 0.00 2.01 0.49 -3.43 115.64 121.50 2fki s THR 27 Ca 0.13 1.62 -0.03 0.00 0.31 0.00 0.00 61.69 63.73 2fki s THR 27 Cb -0.19 -4.39 -0.03 0.00 0.01 0.00 0.00 72.50 67.89 2fki s THR 27 CO 0.12 -0.49 0.01 -1.10 -0.69 0.00 0.00 174.62 172.48 2fki s GLN 28 N 3.61 3.18 -0.32 4.92 -0.21 0.20 0.12 119.66 131.16 2fki s GLN 28 Ca 0.44 -0.40 -0.04 0.00 0.02 0.00 0.00 55.36 55.38 2fki s GLN 28 Cb -0.12 -2.86 0.05 0.00 1.00 0.00 0.00 33.01 31.07 2fki s GLN 28 CO 0.16 0.61 0.05 0.42 -2.12 0.00 0.00 175.29 174.41 2fki s ILE 29 N -0.63 3.34 0.13 1.08 1.01 -0.49 -0.51 121.20 125.14 2fki s ILE 29 Ca 0.10 -1.29 -0.00 0.00 0.00 0.00 0.00 60.65 59.46 2fki s ILE 29 Cb -0.12 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 2fki s ILE 29 CO 0.02 -0.15 0.04 -1.59 0.00 0.00 0.00 174.94 173.26 2fki s LYS 30 N 1.32 0.94 0.00 2.79 -2.85 -1.06 -3.57 119.74 117.31 2fki s LYS 30 Ca -0.03 -1.44 0.00 0.00 -1.00 0.00 0.00 55.97 53.49 2fki s LYS 30 Cb -0.20 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.72 2fki s LYS 30 CO 0.01 -0.23 0.00 0.28 0.10 0.00 0.00 175.35 175.51 2fki n VAL 31 N -0.11 0.00 -0.03 1.79 0.31 -0.99 -1.83 118.33 117.47 2fki n VAL 31 Ca -0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.26 2fki n VAL 31 Cb 0.63 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.56 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 -0.01 0.00 5.55 4.39 -2.02 -3.39 114.58 119.10 2fki h GLU 32 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2fki h GLU 32 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2fki h GLU 32 CO 0.00 -0.00 -0.05 -3.47 -1.16 0.00 0.00 179.01 174.32 2fki n ASP 33 N -3.12 0.00 -4.52 1.42 2.03 -1.26 -5.06 116.55 106.04 2fki n ASP 33 Ca 0.00 -1.10 -0.42 0.00 0.52 0.00 0.00 54.79 53.79 2fki n ASP 33 Cb 0.02 -0.02 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 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 3.95 -0.17 5.18 1.01 -1.26 -4.99 120.40 124.12 2fki s VAL 34 Ca 0.00 0.22 -0.22 0.00 0.00 0.00 0.00 61.98 61.98 2fki s VAL 34 Cb 0.00 -4.82 -0.03 0.00 0.00 0.00 0.00 36.38 31.54 2fki s VAL 34 CO 0.00 -1.66 0.65 -0.22 0.00 0.00 0.00 175.10 173.87 2fki s LEU 35 N 5.09 4.18 -0.05 3.92 2.96 -1.26 -2.35 118.68 131.18 2fki s LEU 35 Ca 0.32 0.92 0.04 0.00 -0.22 0.00 0.00 54.13 55.19 2fki s LEU 35 Cb -0.11 -2.95 -0.06 0.00 0.50 0.00 0.00 46.19 43.58 2fki s LEU 35 CO 0.15 -0.25 0.02 2.22 -1.32 0.00 0.00 176.35 177.16 2fki n PHE 36 N 4.83 0.00 -3.54 5.38 1.16 -1.23 -4.97 117.46 119.09 2fki n PHE 36 Ca -0.01 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.39 2fki n PHE 36 Cb 0.50 -0.23 -0.06 0.00 -1.61 0.00 0.00 39.48 38.08 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 -2.11 -1.70 -0.05 1.98 0.00 -1.25 -3.72 121.76 114.91 2fki s ALA 37 Ca -0.02 1.25 -0.09 0.00 0.00 0.00 0.00 51.96 53.10 2fki s ALA 37 Cb 0.01 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.16 2fki s ALA 37 CO 0.19 -0.36 0.21 0.00 0.00 0.00 0.00 175.76 175.79 2fki s MET 38 N -1.21 0.38 -0.11 0.00 0.23 -0.96 -1.39 119.30 116.25 2fki s MET 38 Ca -0.11 0.02 -0.02 0.00 -1.03 0.00 0.00 55.69 54.54 2fki s MET 38 Cb -0.00 0.17 -0.03 0.00 -1.53 0.00 0.00 34.83 33.44 2fki s MET 38 CO 0.10 -0.08 -0.02 0.54 -2.03 0.00 0.00 175.02 173.53 2fki s VAL 39 N -0.55 4.08 0.18 5.16 0.11 0.12 -0.45 120.40 129.05 2fki s VAL 39 Ca -0.06 -0.32 0.06 0.00 -2.93 0.00 0.00 61.98 58.73 2fki s VAL 39 Cb -0.04 -2.74 -0.05 0.00 -1.53 0.00 0.00 36.38 32.03 2fki s VAL 39 CO 0.01 0.56 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.68 2fki s LYS 40 N -0.36 1.23 -0.24 1.54 3.01 0.16 -0.38 119.74 124.69 2fki s LYS 40 Ca 0.06 -1.54 0.02 0.00 -1.01 0.00 0.00 55.97 53.51 2fki s LYS 40 Cb -0.12 -0.92 0.05 0.00 -1.01 0.00 0.00 37.83 35.83 2fki s LYS 40 CO 0.02 0.13 -0.12 -2.00 0.51 0.00 0.00 175.35 173.90 2fki s GLU 41 N -3.69 2.29 -0.03 1.68 -6.30 -1.25 -0.29 118.70 111.11 2fki s GLU 41 Ca 0.21 -1.23 -0.05 0.00 -2.50 0.00 0.00 54.97 51.39 2fki s GLU 41 Cb 0.01 -2.80 0.01 0.00 0.00 0.00 0.00 34.13 31.34 2fki s GLU 41 CO 0.05 -0.52 0.13 0.54 0.02 0.00 0.00 175.26 175.48 2fki s VAL 42 N 1.16 0.03 -1.78 3.70 0.11 -0.65 -4.82 120.40 118.15 2fki s VAL 42 Ca -0.07 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 2fki s VAL 42 Cb -0.19 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 2fki s VAL 42 CO -0.06 -0.15 0.00 -0.62 -3.33 0.00 0.00 175.10 170.93 2fki n GLU 43 N 2.41 -1.35 -1.59 1.54 -0.58 -1.26 -1.01 120.64 118.80 2fki n GLU 43 Ca -0.16 1.03 -0.11 0.00 -0.42 0.00 0.00 57.16 57.50 2fki n GLU 43 Cb 0.58 -5.42 -0.04 0.00 -0.57 0.00 0.00 31.44 26.00 2fki n GLU 43 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2fki n ASN 44 N -1.19 -4.17 -3.89 1.62 3.02 -1.26 -5.01 115.26 104.39 2fki n ASN 44 Ca -0.20 0.20 -0.18 0.00 -0.03 0.00 0.00 54.58 54.36 2fki n ASN 44 Cb 0.63 -2.88 -0.16 0.00 -0.61 0.00 0.00 39.78 36.76 2fki n ASN 44 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2fki s ARG 45 N -3.43 0.63 0.04 3.52 0.52 -0.18 -5.12 118.95 114.93 2fki s ARG 45 Ca 0.00 -0.08 -0.30 0.00 -0.52 0.00 0.00 55.73 54.82 2fki s ARG 45 Cb 0.00 -0.68 -0.06 0.00 0.52 0.00 0.00 34.95 34.73 2fki s ARG 45 CO 0.00 -0.05 1.38 -2.14 0.02 0.00 0.00 175.30 174.51 2fki s PRO 46 N 0.74 4.30 -0.01 3.54 0.02 -1.26 -1.64 135.00 140.69 2fki s PRO 46 Ca -0.09 1.98 0.02 0.00 0.02 0.00 0.00 61.00 62.94 2fki s PRO 46 Cb -0.12 -3.47 -0.01 0.00 0.02 0.00 0.00 34.50 30.92 2fki s PRO 46 CO -0.00 -0.51 -0.07 0.00 -0.33 0.00 0.00 177.00 176.08 2fki s ALA 47 N 1.95 0.63 0.00 -1.55 0.00 0.60 -0.02 121.76 123.37 2fki s ALA 47 Ca 0.64 -0.32 0.06 0.00 0.00 0.00 0.00 51.96 52.34 2fki s ALA 47 Cb -0.33 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 2fki s ALA 47 CO 0.28 0.15 -0.19 0.54 0.00 0.00 0.00 175.76 176.54 2fki s VAL 48 N -0.16 2.72 -0.18 0.00 0.11 -0.31 0.36 120.40 122.93 2fki s VAL 48 Ca 0.03 -1.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.00 2fki s VAL 48 Cb -0.03 -2.09 -0.01 0.00 -1.53 0.00 0.00 36.38 32.72 2fki s VAL 48 CO -0.00 0.45 -0.06 -0.44 -3.33 0.00 0.00 175.10 171.72 2fki s SER 49 N -1.08 4.36 0.27 3.54 0.01 0.40 -0.94 113.70 120.26 2fki s SER 49 Ca 0.13 -0.31 0.09 0.00 1.31 0.00 0.00 55.95 57.17 2fki s SER 49 Cb -0.10 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 2fki s SER 49 CO 0.03 0.07 0.03 -0.76 0.41 0.00 0.00 173.24 173.02 2fki s LEU 50 N 0.95 3.28 -0.02 2.44 1.02 0.19 -2.25 118.68 124.29 2fki s LEU 50 Ca -0.01 -0.61 -0.18 0.00 0.02 0.00 0.00 54.13 53.36 2fki s LEU 50 Cb -0.15 -1.80 -0.05 0.00 0.02 0.00 0.00 46.19 44.21 2fki s LEU 50 CO 0.01 -0.03 0.50 -0.75 0.02 0.00 0.00 176.35 176.10 2fki s LYS 51 N -3.71 4.17 -0.61 1.70 2.20 -1.24 -0.10 119.74 122.15 2fki s LYS 51 Ca 0.32 0.56 -0.26 0.00 -0.36 0.00 0.00 55.97 56.22 2fki s LYS 51 Cb -0.06 -3.31 -0.11 0.00 -1.51 0.00 0.00 37.83 32.84 2fki s LYS 51 CO 0.21 0.47 2.46 0.25 -0.36 0.00 0.00 175.35 178.38 2fki n THR 52 N 2.48 -0.07 -2.81 3.43 -2.24 -0.98 -4.92 114.28 109.18 2fki n THR 52 Ca -0.10 -0.65 -0.23 0.00 -2.27 0.00 0.00 64.05 60.81 2fki n THR 52 Cb 0.51 -2.32 0.02 0.00 -2.10 0.00 0.00 70.33 66.45 2fki n THR 52 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2fki s SER 53 N 11.40 5.61 0.20 3.42 0.01 -1.26 -4.77 113.70 128.30 2fki s SER 53 Ca 1.04 0.23 -0.22 0.00 1.31 0.00 0.00 55.95 58.31 2fki s SER 53 Cb -0.35 -1.33 0.13 0.00 0.21 0.00 0.00 66.02 64.68 2fki s SER 53 CO 0.29 -0.89 1.56 -0.65 0.41 0.00 0.00 173.24 173.96 2fki h PRO 54 N 0.23 -0.10 0.10 12.44 0.11 -1.99 0.48 132.00 143.27 2fki h PRO 54 Ca -0.45 0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.38 2fki h PRO 54 Cb 1.27 0.02 0.03 0.00 0.11 0.00 0.00 31.00 32.43 2fki h PRO 54 CO 0.56 -0.07 -1.18 1.49 -0.21 0.00 0.00 178.00 178.60 2fki h GLU 55 N -0.10 0.62 -0.31 1.05 4.81 -1.99 -3.30 114.58 115.35 2fki h GLU 55 Ca 0.26 -0.80 -0.04 0.00 -0.13 0.00 0.00 59.36 58.65 2fki h GLU 55 Cb 0.56 0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 2fki h GLU 55 CO -0.83 1.36 0.04 -0.07 -0.73 0.00 0.00 179.01 178.78 2fki h LEU 56 N 0.25 0.42 -1.48 1.64 -0.00 -1.74 -1.29 115.31 113.11 2fki h LEU 56 Ca -0.18 -0.06 -0.05 0.00 -0.00 0.00 0.00 57.88 57.59 2fki h LEU 56 Cb 1.85 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 42.40 2fki h LEU 56 CO 0.23 0.46 -0.25 0.00 -0.00 0.00 0.00 178.44 178.88 2fki h ALA 57 N 1.60 1.29 -0.21 1.53 0.00 -0.14 -2.67 119.26 120.66 2fki h ALA 57 Ca 0.10 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 2fki h ALA 57 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2fki h ALA 57 CO 0.00 0.31 -0.66 0.93 0.00 0.00 0.00 179.25 179.84 2fki h GLU 58 N 0.00 0.80 -0.72 0.00 4.39 -1.31 0.48 114.58 118.22 2fki h GLU 58 Ca -0.00 -0.57 0.10 0.00 0.34 0.00 0.00 59.36 59.22 2fki h GLU 58 Cb 0.55 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.22 2fki h GLU 58 CO 0.03 1.19 0.36 -0.07 -1.16 0.00 0.00 179.01 179.37 2fki h LEU 59 N 0.58 0.47 -0.55 1.33 4.07 -1.27 0.19 115.31 120.13 2fki h LEU 59 Ca -0.02 0.06 -0.14 0.00 0.08 0.00 0.00 57.88 57.87 2fki h LEU 59 Cb 1.27 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.98 2fki h LEU 59 CO 0.14 0.26 -0.33 0.25 -1.08 0.00 0.00 178.44 177.68 2fki h LEU 60 N 0.61 0.84 -0.52 1.67 6.46 -1.34 0.22 115.31 123.26 2fki h LEU 60 Ca 0.36 -0.35 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2fki h LEU 60 Cb 0.38 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 2fki h LEU 60 CO -0.27 1.10 0.27 -0.09 -0.62 0.00 0.00 178.44 178.83 2fki h ARG 61 N 0.67 0.73 0.00 1.25 9.65 0.14 -3.32 114.38 123.49 2fki h ARG 61 Ca 0.07 -0.09 -0.19 0.00 -1.10 0.00 0.00 59.98 58.67 2fki h ARG 61 Cb 0.88 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.29 2fki h ARG 61 CO 0.08 0.57 -1.02 1.96 2.80 0.00 0.00 179.97 184.36 2fki h GLN 62 N 0.69 0.00 -4.48 0.20 7.50 -0.63 -3.44 115.11 114.93 2fki h GLN 62 Ca 0.18 0.00 -0.72 0.00 0.50 0.00 0.00 58.65 58.61 2fki h GLN 62 Cb 0.07 0.00 -0.21 0.00 0.05 0.00 0.00 27.48 27.39 2fki h GLN 62 CO -0.03 0.98 -0.21 -0.65 -1.50 0.00 0.00 178.83 177.42 2fki s GLN 63 N -2.33 3.02 0.00 1.46 -1.52 0.77 -4.89 119.66 116.17 2fki s GLN 63 Ca -0.27 -1.24 0.27 0.00 -1.95 0.00 0.00 55.36 52.18 2fki s GLN 63 Cb 0.04 -4.13 1.05 0.00 -0.22 0.00 0.00 33.01 29.75 2fki s GLN 63 CO 0.60 -1.11 1.74 1.58 -0.25 0.00 0.00 175.29 177.86 2fki n HIS 64 N 5.50 0.02 -0.09 0.91 -0.00 -1.26 -4.12 115.22 116.19 2fki n HIS 64 Ca -0.11 -0.01 -0.17 0.00 -0.00 0.00 0.00 57.72 57.43 2fki n HIS 64 Cb 0.44 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.30 2fki n HIS 64 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2fki n SER 65 N 0.14 1.71 0.10 0.26 7.64 -1.26 -4.53 113.62 117.69 2fki n SER 65 Ca 0.19 -0.01 -0.00 0.00 1.01 0.00 0.00 58.87 60.06 2fki n SER 65 Cb 0.34 -0.33 -0.03 0.00 -1.01 0.00 0.00 64.21 63.19 2fki n SER 65 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2fki h ASP 66 N 0.02 0.00 -4.10 6.43 5.19 -1.95 -3.46 116.42 118.55 2fki h ASP 66 Ca -0.52 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.20 2fki h ASP 66 Cb 1.98 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 41.25 2fki h ASP 66 CO -0.02 0.63 -0.84 0.54 -3.12 0.00 0.00 179.24 176.42 2fki s VAL 67 N -2.89 2.46 -0.00 -1.35 0.11 -1.26 -3.68 120.40 113.79 2fki s VAL 67 Ca 0.02 -1.34 0.08 0.00 -2.93 0.00 0.00 61.98 57.81 2fki s VAL 67 Cb 0.08 -2.01 -0.02 0.00 -1.53 0.00 0.00 36.38 32.90 2fki s VAL 67 CO 0.77 0.32 -0.26 -0.13 -3.33 0.00 0.00 175.10 172.47 2fki s ARG 68 N -1.44 2.01 0.00 1.54 1.81 0.61 -4.89 118.95 118.59 2fki s ARG 68 Ca 0.13 -0.96 0.17 0.00 -1.72 0.00 0.00 55.73 53.35 2fki s ARG 68 Cb -0.10 -2.00 0.93 0.00 -0.45 0.00 0.00 34.95 33.32 2fki s ARG 68 CO 0.04 0.54 1.44 -2.30 -0.68 0.00 0.00 175.30 174.35 2fki n PRO 69 N 2.29 0.39 -2.67 3.54 -0.02 -1.26 -0.55 135.00 136.72 2fki n PRO 69 Ca -0.16 0.06 -0.01 0.00 -2.02 0.00 0.00 63.50 61.37 2fki n PRO 69 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 2fki n PRO 69 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2fki n SER 70 N -1.13 -6.51 -0.20 2.55 7.64 -1.26 -4.23 113.62 110.49 2fki n SER 70 Ca 0.10 0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2fki n SER 70 Cb 0.09 -4.35 0.00 0.00 -1.01 0.00 0.00 64.21 58.95 2fki n SER 70 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2fki n ARG 71 N -1.37 0.82 0.03 1.43 1.85 -1.25 -2.73 116.66 115.43 2fki n ARG 71 Ca 0.02 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.98 2fki n ARG 71 Cb 0.47 -1.16 -0.04 0.00 -1.05 0.00 0.00 32.46 30.68 2fki n ARG 71 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2fki n HIS 72 N -0.27 0.32 0.04 2.89 -0.00 -1.26 -4.67 115.22 112.27 2fki n HIS 72 Ca 0.00 0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.27 2fki n HIS 72 Cb 0.08 -0.53 0.00 0.00 -0.12 0.00 0.00 29.99 29.42 2fki n HIS 72 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2fki n LEU 73 N -2.16 0.52 0.00 0.27 4.32 -1.11 -5.13 117.00 113.72 2fki n LEU 73 Ca 0.00 0.10 -0.12 0.00 -0.02 0.00 0.00 56.01 55.97 2fki n LEU 73 Cb 0.49 -0.13 -0.03 0.00 -1.62 0.00 0.00 43.42 42.12 2fki n LEU 73 CO 0.42 -0.45 -0.08 -0.46 -1.22 0.00 0.00 177.39 175.59 2fki n ASN 74 N -3.25 1.34 -0.06 -1.43 2.04 -1.14 -5.08 115.26 107.68 2fki n ASN 74 Ca 0.00 -2.02 -0.07 0.00 -0.44 0.00 0.00 54.58 52.05 2fki n ASN 74 Cb 0.19 0.43 -0.05 0.00 -2.53 0.00 0.00 39.78 37.82 2fki n ASN 74 CO 0.00 0.00 0.00 0.11 -0.44 0.00 0.00 177.26 176.93 2fki h LYS 75 N 0.00 0.00 -0.97 -3.83 1.79 -1.84 -3.34 116.57 108.38 2fki h LYS 75 Ca -0.16 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.30 2fki h LYS 75 Cb 0.57 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.03 2fki h LYS 75 CO 0.25 0.38 -0.41 0.00 -1.08 0.00 0.00 179.45 178.59 2fki s ALA 76 N -2.47 -2.46 0.26 3.86 0.00 -1.26 -4.61 121.76 115.08 2fki s ALA 76 Ca -0.11 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2fki s ALA 76 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.45 2fki s ALA 76 CO 0.29 -2.08 0.00 0.72 0.00 0.00 0.00 175.76 174.69 2fki n HIS 77 N 4.78 -2.26 -2.90 0.00 8.25 -1.26 -5.07 115.22 116.75 2fki n HIS 77 Ca 0.09 0.40 -0.37 0.00 -0.26 0.00 0.00 57.72 57.58 2fki n HIS 77 Cb 0.56 0.57 -0.06 0.00 1.12 0.00 0.00 29.99 32.18 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 -2.00 3.67 -0.09 4.41 0.52 -1.26 -2.31 118.94 121.88 2fki s TRP 78 Ca 0.00 1.63 0.03 0.00 0.02 0.00 0.00 56.10 57.77 2fki s TRP 78 Cb 0.00 -2.80 0.01 0.00 -1.15 0.00 0.00 33.47 29.53 2fki s TRP 78 CO 0.00 0.25 -0.17 -1.12 0.02 0.00 0.00 176.95 175.93 2fki s SER 79 N -1.64 2.37 -0.24 2.95 0.01 0.85 -4.10 113.70 113.89 2fki s SER 79 Ca 0.48 -0.42 -0.06 0.00 1.31 0.00 0.00 55.95 57.26 2fki s SER 79 Cb -0.18 -1.08 -0.02 0.00 0.21 0.00 0.00 66.02 64.95 2fki s SER 79 CO 0.22 0.07 0.03 -0.89 0.41 0.00 0.00 173.24 173.08 2fki s THR 80 N 0.64 3.92 -0.06 1.44 2.01 0.29 -0.63 115.64 123.24 2fki s THR 80 Ca -0.14 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.53 2fki s THR 80 Cb -0.16 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 2fki s THR 80 CO 0.04 0.34 -0.08 0.68 -0.69 0.00 0.00 174.62 174.92 2fki s VAL 81 N 1.55 3.61 -0.07 3.82 -7.23 -0.12 -0.28 120.40 121.68 2fki s VAL 81 Ca 0.06 -0.54 -0.25 0.00 -1.81 0.00 0.00 61.98 59.44 2fki s VAL 81 Cb -0.15 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 2fki s VAL 81 CO 0.01 0.58 0.77 -0.31 -0.31 0.00 0.00 175.10 175.84 2fki s TYR 82 N -0.82 3.57 -2.00 2.82 2.02 -1.24 -1.16 117.35 120.54 2fki s TYR 82 Ca 0.13 1.33 0.04 0.00 -0.37 0.00 0.00 57.07 58.19 2fki s TYR 82 Cb -0.11 -2.90 0.11 0.00 -0.40 0.00 0.00 41.96 38.67 2fki s TYR 82 CO 0.02 0.02 1.09 1.28 -1.57 0.00 0.00 175.55 176.39 2fki n LEU 83 N 4.04 0.66 -3.74 -1.29 4.77 0.97 -3.14 117.00 119.27 2fki n LEU 83 Ca 0.01 -0.33 -0.30 0.00 -0.03 0.00 0.00 56.01 55.36 2fki n LEU 83 Cb 0.51 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 41.38 2fki n LEU 83 CO 0.48 0.17 -0.28 -0.62 -1.33 0.00 0.00 177.39 175.81 2fki s ASP 84 N -1.00 3.85 0.00 -1.43 2.15 -1.26 -4.80 116.67 114.17 2fki s ASP 84 Ca 0.08 -2.30 0.00 0.00 0.43 0.00 0.00 52.55 50.76 2fki s ASP 84 Cb 0.04 -1.03 0.00 0.00 -0.30 0.00 0.00 42.92 41.63 2fki s ASP 84 CO 0.06 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 2fki n GLY 85 N 3.98 3.16 3.72 2.66 0.00 -1.26 -5.04 105.19 112.41 2fki n GLY 85 Ca 0.05 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 2fki n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fki s SER 86 N 0.00 6.44 0.26 1.61 0.01 -1.19 -4.88 113.70 115.95 2fki s SER 86 Ca 0.00 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2fki s SER 86 Cb 0.00 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2fki s SER 86 CO 0.00 0.07 0.00 0.18 0.41 0.00 0.00 173.24 173.90 2fki n LEU 87 N 3.71 -5.39 -4.69 2.44 4.77 -1.26 -4.39 117.00 112.18 2fki n LEU 87 Ca -0.11 2.55 -0.31 0.00 -0.03 0.00 0.00 56.01 58.12 2fki n LEU 87 Cb 0.52 -2.38 0.15 0.00 -2.33 0.00 0.00 43.42 39.38 2fki n LEU 87 CO 0.40 -0.77 0.67 -2.84 -1.33 0.00 0.00 177.39 173.52 2fki s PRO 88 N -2.12 1.25 0.61 3.23 0.02 -1.26 -4.84 135.00 131.90 2fki s PRO 88 Ca 0.00 1.24 0.39 0.00 0.02 0.00 0.00 61.00 62.65 2fki s PRO 88 Cb 0.00 -1.78 1.93 0.00 0.02 0.00 0.00 34.50 34.68 2fki s PRO 88 CO 0.00 -2.37 2.19 0.38 -0.33 0.00 0.00 177.00 176.87 2fki h ASP 89 N -1.66 0.00 0.07 2.53 2.03 -1.93 -0.58 116.42 116.88 2fki h ASP 89 Ca -0.46 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 55.70 2fki h ASP 89 Cb 1.27 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.76 2fki h ASP 89 CO 0.48 0.00 -0.49 -1.28 -1.03 0.00 0.00 179.24 176.92 2fki h SER 90 N 0.00 0.53 0.47 4.15 0.87 -2.02 -3.08 113.55 114.46 2fki h SER 90 Ca -0.00 -0.26 -0.11 0.00 -1.23 0.00 0.00 61.79 60.19 2fki h SER 90 Cb 0.24 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2fki h SER 90 CO 0.00 0.93 -0.51 -0.61 -0.53 0.00 0.00 176.83 176.11 2fki h GLN 91 N 0.38 0.05 -0.90 2.24 5.75 -1.45 -3.05 115.11 118.14 2fki h GLN 91 Ca 0.02 -0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.61 2fki h GLN 91 Cb 1.00 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.48 2fki h GLN 91 CO 0.09 0.55 0.58 0.82 -2.65 0.00 0.00 178.83 178.22 2fki h ILE 92 N 0.04 0.89 -0.46 2.39 2.04 -1.43 -0.36 117.51 120.63 2fki h ILE 92 Ca -0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2fki h ILE 92 Cb 0.92 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2fki h ILE 92 CO 0.07 0.14 0.30 1.88 0.00 0.00 0.00 178.15 180.54 2fki h TYR 93 N 0.79 0.58 -0.59 1.37 0.05 -1.65 -2.45 116.97 115.07 2fki h TYR 93 Ca 0.44 0.01 0.02 0.00 0.05 0.00 0.00 58.73 59.26 2fki h TYR 93 Cb 0.59 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 38.10 2fki h TYR 93 CO -0.00 0.37 0.36 -0.92 -1.05 0.00 0.00 178.16 176.92 2fki h TYR 94 N 0.62 0.68 -0.97 4.88 3.20 -1.23 -1.19 116.97 122.97 2fki h TYR 94 Ca 0.17 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.14 2fki h TYR 94 Cb -0.07 -0.22 -0.07 0.00 1.54 0.00 0.00 36.73 37.91 2fki h TYR 94 CO -0.04 0.40 0.62 -0.07 -1.64 0.00 0.00 178.16 177.42 2fki h LEU 95 N 0.72 0.96 0.00 2.82 3.38 -0.81 0.20 115.31 122.58 2fki h LEU 95 Ca 0.23 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 2fki h LEU 95 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2fki h LEU 95 CO -0.09 0.58 -0.00 0.58 0.09 0.00 0.00 178.44 179.60 2fki h VAL 96 N 1.07 1.69 -0.35 1.22 2.07 -1.20 -3.28 116.25 117.49 2fki h VAL 96 Ca 0.44 -2.04 -0.12 0.00 0.82 0.00 0.00 66.70 65.80 2fki h VAL 96 Cb 0.27 3.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 2fki h VAL 96 CO -0.20 0.53 -0.26 0.44 0.02 0.00 0.00 177.57 178.10 2fki h ASP 97 N -0.87 0.83 -0.82 0.57 3.32 -0.97 -2.07 116.42 116.40 2fki h ASP 97 Ca -0.00 -0.44 0.01 0.00 0.02 0.00 0.00 57.03 56.62 2fki h ASP 97 Cb 0.87 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 2fki h ASP 97 CO 0.00 1.09 0.55 0.00 -1.72 0.00 0.00 179.24 179.16 2fki h ALA 98 N 0.76 1.05 -0.63 3.45 0.00 -0.77 0.36 119.26 123.48 2fki h ALA 98 Ca 0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2fki h ALA 98 Cb 0.83 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2fki h ALA 98 CO 0.07 0.45 0.13 0.77 0.00 0.00 0.00 179.25 180.67 2fki h SER 99 N 1.11 0.97 -0.44 0.00 0.02 -1.59 -2.40 113.55 111.23 2fki h SER 99 Ca 0.30 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 2fki h SER 99 Cb -0.12 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.15 2fki h SER 99 CO -0.07 0.97 -0.03 0.22 -1.14 0.00 0.00 176.83 176.78 2fki h TYR 100 N 0.93 0.87 -0.65 3.45 3.20 -0.58 -2.11 116.97 122.08 2fki h TYR 100 Ca 0.19 -0.16 0.03 0.00 3.14 0.00 0.00 58.73 61.93 2fki h TYR 100 Cb 0.39 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 2fki h TYR 100 CO 0.03 0.86 0.40 1.96 -1.64 0.00 0.00 178.16 179.77 2fki h GLN 101 N 0.62 0.76 -0.64 1.82 1.08 -0.19 -0.51 115.11 118.05 2fki h GLN 101 Ca 0.12 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 2fki h GLN 101 Cb 0.53 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 2fki h GLN 101 CO 0.03 0.50 0.32 1.96 -0.95 0.00 0.00 178.83 180.69 2fki h GLN 102 N 0.78 0.91 -0.76 1.46 4.20 -1.32 -2.85 115.11 117.53 2fki h GLN 102 Ca 0.26 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 2fki h GLN 102 Cb 0.03 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 2fki h GLN 102 CO -0.11 0.72 0.47 0.00 -0.67 0.00 0.00 178.83 179.24 2fki h ALA 103 N 1.14 0.97 -0.64 3.87 0.00 -0.64 -2.18 119.26 121.78 2fki h ALA 103 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2fki h ALA 103 Cb 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2fki h ALA 103 CO -0.03 0.43 0.42 0.28 0.00 0.00 0.00 179.25 180.35 2fki h VAL 104 N 1.04 1.17 0.00 0.00 2.07 -0.91 -0.48 116.25 119.14 2fki h VAL 104 Ca 0.27 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2fki h VAL 104 Cb -0.05 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2fki h VAL 104 CO -0.05 0.16 0.00 0.78 0.02 0.00 0.00 177.57 178.48 2fki h ASN 105 N 0.87 0.00 0.64 0.57 2.35 -1.19 -2.72 115.58 116.11 2fki h ASN 105 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2fki h ASN 105 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2fki h ASN 105 CO -0.05 0.00 -0.97 0.18 -1.65 0.00 0.00 177.43 174.94 2fki n LEU 106 N -2.58 0.65 -4.74 1.61 4.77 -0.40 -4.89 117.00 111.42 2fki n LEU 106 Ca 0.04 0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.73 2fki n LEU 106 Cb 0.41 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 2fki n LEU 106 CO 0.29 -0.03 0.80 -0.76 -1.33 0.00 0.00 177.39 176.36 2fki s LEU 107 N -4.34 4.48 1.00 2.23 1.43 -0.33 -5.03 118.68 118.13 2fki s LEU 107 Ca 0.03 2.11 -0.12 0.00 -1.03 0.00 0.00 54.13 55.12 2fki s LEU 107 Cb 0.13 -3.60 0.19 0.00 0.03 0.00 0.00 46.19 42.94 2fki s LEU 107 CO 0.78 -0.24 1.08 -2.84 0.23 0.00 0.00 176.35 175.37 2fki s PRO 108 N -0.37 0.38 0.18 1.29 0.02 -1.26 -4.71 135.00 130.52 2fki s PRO 108 Ca 0.50 0.67 -0.20 0.00 0.02 0.00 0.00 61.00 61.99 2fki s PRO 108 Cb -0.30 -1.72 0.11 0.00 0.02 0.00 0.00 34.50 32.61 2fki s PRO 108 CO 0.35 -2.80 1.62 1.49 -0.33 0.00 0.00 177.00 177.33 2fki h GLU 109 N -1.95 -0.15 -0.87 5.54 4.57 -1.97 -1.40 114.58 118.34 2fki h GLU 109 Ca -0.54 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 57.79 2fki h GLU 109 Cb 1.32 0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 29.85 2fki h GLU 109 CO 0.55 -0.10 0.47 1.49 -1.18 0.00 0.00 179.01 180.24 2fki h GLU 110 N -0.16 0.66 -0.12 1.92 4.22 -2.01 -0.98 114.58 118.12 2fki h GLU 110 Ca 0.21 -0.04 -0.11 0.00 0.08 0.00 0.00 59.36 59.50 2fki h GLU 110 Cb 0.48 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2fki h GLU 110 CO -0.53 0.44 -0.35 0.87 -2.18 0.00 0.00 179.01 177.25 2fki h LYS 111 N 0.68 0.45 -0.20 1.92 6.56 -1.70 -3.15 116.57 121.13 2fki h LYS 111 Ca 0.47 -0.32 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 2fki h LYS 111 Cb 0.64 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.34 2fki h LYS 111 CO -0.34 0.95 0.13 0.00 -2.06 0.00 0.00 179.45 178.13 2fki h ARG 112 N 0.03 0.26 -0.53 3.15 3.08 -0.44 -1.55 114.38 118.39 2fki h ARG 112 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2fki h ARG 112 Cb 0.98 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 2fki h ARG 112 CO 0.08 0.17 0.33 0.87 -1.07 0.00 0.00 179.97 180.35 2fki h LYS 113 N 0.27 0.71 -0.76 0.04 1.79 -1.17 -2.61 116.57 114.83 2fki h LYS 113 Ca 0.08 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 2fki h LYS 113 Cb -0.02 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.45 2fki h LYS 113 CO -0.02 0.50 0.29 -0.07 -1.08 0.00 0.00 179.45 179.07 2fki h LEU 114 N 0.71 1.06 -2.05 2.94 3.38 -1.32 -1.92 115.31 118.11 2fki h LEU 114 Ca 0.19 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2fki h LEU 114 Cb -0.04 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 2fki h LEU 114 CO -0.04 0.95 0.09 -0.07 0.09 0.00 0.00 178.44 179.46 2fki h LEU 115 N 1.12 0.00 0.08 1.67 3.38 -1.06 -0.45 115.31 120.04 2fki h LEU 115 Ca 0.25 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.96 2fki h LEU 115 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2fki h LEU 115 CO -0.02 0.00 -1.24 0.58 0.09 0.00 0.00 178.44 177.86 2fki h VAL 116 N 0.00 1.48 -0.16 1.22 2.07 -1.07 -3.34 116.25 116.45 2fki h VAL 116 Ca 0.05 -3.12 -0.19 0.00 0.82 0.00 0.00 66.70 64.27 2fki h VAL 116 Cb 0.23 2.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2fki h VAL 116 CO -0.00 0.89 -0.66 1.56 0.02 0.00 0.00 177.57 179.38 2fki h GLN 117 N 0.05 0.61 0.00 1.57 4.20 -0.54 -3.52 115.11 117.48 2fki h GLN 117 Ca -0.12 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.15 2fki h GLN 117 Cb 1.92 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.78 2fki h GLN 117 CO 0.17 1.06 0.00 1.28 -0.67 0.00 0.00 178.83 180.68