#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fki n THR 2 N 0.00 0.00 -0.20 1.12 -1.04 -1.26 -4.96 114.28 107.94 2fki n THR 2 Ca 0.00 -1.44 -0.04 0.00 -2.04 0.00 0.00 64.05 60.54 2fki n THR 2 Cb 0.00 -0.26 0.07 0.00 -1.82 0.00 0.00 70.33 68.32 2fki n THR 2 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2fki h ILE 3 N 0.53 0.99 -0.62 12.58 2.04 -1.99 -1.35 117.51 129.69 2fki h ILE 3 Ca -0.23 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 2fki h ILE 3 Cb 0.85 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2fki h ILE 3 CO 0.35 0.11 0.27 0.28 0.00 0.00 0.00 178.15 179.16 2fki h SER 4 N 0.62 0.84 -0.31 1.72 0.02 -1.99 0.94 113.55 115.39 2fki h SER 4 Ca 0.25 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 2fki h SER 4 Cb 0.12 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2fki h SER 4 CO -0.15 0.76 -0.11 -0.33 -1.14 0.00 0.00 176.83 175.87 2fki h GLU 5 N 0.86 0.73 -0.38 3.45 3.07 -1.88 0.28 114.58 120.71 2fki h GLU 5 Ca 0.21 -0.24 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 2fki h GLU 5 Cb 0.17 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 2fki h GLU 5 CO -0.02 0.82 0.14 1.25 -1.40 0.00 0.00 179.01 179.80 2fki h LEU 6 N 0.67 0.54 -0.64 1.33 5.85 -0.58 0.12 115.31 122.61 2fki h LEU 6 Ca 0.12 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2fki h LEU 6 Cb 0.57 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2fki h LEU 6 CO 0.04 0.58 0.35 -0.07 -0.34 0.00 0.00 178.44 178.99 2fki h LEU 7 N 0.47 0.80 -0.50 2.25 3.38 -0.57 -0.72 115.31 120.43 2fki h LEU 7 Ca 0.13 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2fki h LEU 7 Cb 0.22 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2fki h LEU 7 CO -0.01 0.67 0.32 -0.61 0.09 0.00 0.00 178.44 178.90 2fki h GLN 8 N 0.87 0.63 -0.65 1.13 4.15 -0.60 -1.47 115.11 119.18 2fki h GLN 8 Ca 0.22 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 2fki h GLN 8 Cb 0.05 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 2fki h GLN 8 CO -0.04 0.42 0.31 -0.92 -1.93 0.00 0.00 178.83 176.67 2fki h TYR 9 N 0.65 0.94 0.00 3.99 3.20 -0.38 -1.16 116.97 124.22 2fki h TYR 9 Ca 0.19 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2fki h TYR 9 Cb -0.05 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 37.93 2fki h TYR 9 CO -0.05 0.71 0.00 0.00 -1.64 0.00 0.00 178.16 177.18 2fki h MET 11 N 0.00 0.28 0.00 0.00 2.86 -0.17 -3.26 114.93 114.64 2fki h MET 11 Ca 0.00 -0.49 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 2fki h MET 11 Cb 0.38 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2fki h MET 11 CO 0.00 1.15 0.00 0.00 1.06 0.00 0.00 176.91 179.12 2fki n ALA 12 N -2.74 2.01 -3.18 6.32 0.00 -0.62 -4.41 120.51 117.90 2fki n ALA 12 Ca -0.20 -0.05 -0.45 0.00 0.00 0.00 0.00 53.44 52.74 2fki n ALA 12 Cb 1.05 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.07 2fki n ALA 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2fki s LYS 13 N -3.06 3.00 0.83 0.00 2.20 -0.40 -5.06 119.74 117.24 2fki s LYS 13 Ca 0.10 -1.58 -0.13 0.00 -0.36 0.00 0.00 55.97 54.01 2fki s LYS 13 Cb 0.14 -4.25 0.10 0.00 -1.51 0.00 0.00 37.83 32.30 2fki s LYS 13 CO 0.43 -1.28 1.19 -2.14 -0.36 0.00 0.00 175.35 173.20 2fki s PRO 14 N 1.73 1.50 0.00 4.03 0.02 -1.26 -3.27 135.00 137.75 2fki s PRO 14 Ca 0.04 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.78 2fki s PRO 14 Cb -0.28 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2fki s PRO 14 CO 0.04 -2.31 0.00 0.41 -0.33 0.00 0.00 177.00 174.82 2fki n GLY 15 N 0.43 2.65 3.69 0.52 0.00 -1.26 -5.00 105.19 106.22 2fki n GLY 15 Ca 0.13 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.29 3.38 -0.03 4.61 0.00 -1.20 -4.30 121.76 122.93 2fki s ALA 16 Ca 0.00 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.30 2fki s ALA 16 Cb 0.00 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 2fki s ALA 16 CO 0.00 -0.48 -0.25 -2.00 0.00 0.00 0.00 175.76 173.03 2fki s GLU 17 N 1.69 2.24 -0.21 0.00 2.12 0.16 -4.83 118.70 119.88 2fki s GLU 17 Ca 0.44 -0.91 -0.07 0.00 0.36 0.00 0.00 54.97 54.79 2fki s GLU 17 Cb -0.18 -2.09 -0.03 0.00 0.26 0.00 0.00 34.13 32.09 2fki s GLU 17 CO 0.18 0.52 0.04 -0.65 -0.54 0.00 0.00 175.26 174.81 2fki s GLN 18 N -0.50 3.76 -0.21 4.30 -0.21 -1.26 -1.01 119.66 124.54 2fki s GLN 18 Ca 0.06 -0.44 -0.02 0.00 0.02 0.00 0.00 55.36 54.98 2fki s GLN 18 Cb -0.11 -3.20 0.01 0.00 1.00 0.00 0.00 33.01 30.71 2fki s GLN 18 CO 0.00 0.06 -0.10 -1.12 -2.12 0.00 0.00 175.29 172.01 2fki s SER 19 N 0.93 3.92 -0.01 5.90 0.01 0.52 -4.93 113.70 120.05 2fki s SER 19 Ca 0.03 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 56.71 2fki s SER 19 Cb -0.14 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 64.46 2fki s SER 19 CO 0.02 -0.04 -0.01 0.54 0.41 0.00 0.00 173.24 174.17 2fki s VAL 20 N 1.38 0.17 -0.14 3.43 0.11 -1.26 0.06 120.40 124.16 2fki s VAL 20 Ca 0.04 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 2fki s VAL 20 Cb -0.14 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.49 2fki s VAL 20 CO -0.07 0.09 -0.14 -1.00 -3.33 0.00 0.00 175.10 170.66 2fki s HIS 21 N 0.44 2.80 -1.49 1.54 3.76 -1.26 -5.03 115.29 116.04 2fki s HIS 21 Ca -0.04 -0.75 -0.13 0.00 -0.15 0.00 0.00 55.06 53.99 2fki s HIS 21 Cb -0.07 -1.85 0.01 0.00 1.11 0.00 0.00 32.58 31.78 2fki s HIS 21 CO -0.01 -0.28 2.39 -1.71 -0.85 0.00 0.00 174.74 174.28 2fki n ASN 22 N 3.67 4.93 -0.01 1.40 5.15 -1.26 -3.11 115.26 126.03 2fki n ASN 22 Ca -0.18 -2.78 -0.01 0.00 -0.60 0.00 0.00 54.58 51.01 2fki n ASN 22 Cb 0.52 -1.64 -0.00 0.00 -0.53 0.00 0.00 39.78 38.14 2fki n ASN 22 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2fki n ASP 23 N 5.56 0.16 -0.08 1.20 2.03 -1.26 -4.81 116.55 119.36 2fki n ASP 23 Ca 0.58 0.03 0.02 0.00 0.52 0.00 0.00 54.79 55.93 2fki n ASP 23 Cb 0.36 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 2fki n ASP 23 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 2fki n TRP 24 N -2.66 0.00 -2.03 -0.67 4.27 -1.26 -5.08 117.44 110.00 2fki n TRP 24 Ca -0.01 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.58 2fki n TRP 24 Cb 0.04 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 29.97 2fki n TRP 24 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 2fki n LYS 25 N -0.36 -2.04 -3.84 -2.67 5.02 -1.18 -4.54 118.16 108.55 2fki n LYS 25 Ca 0.01 1.82 -0.30 0.00 -2.02 0.00 0.00 58.31 57.82 2fki n LYS 25 Cb 0.07 -2.98 -0.15 0.00 -0.02 0.00 0.00 35.03 31.95 2fki n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fki s ALA 26 N -0.46 1.99 -0.31 7.82 0.00 -1.26 -0.73 121.76 128.82 2fki s ALA 26 Ca -0.10 -1.88 -0.28 0.00 0.00 0.00 0.00 51.96 49.70 2fki s ALA 26 Cb 0.01 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.44 2fki s ALA 26 CO 0.38 -1.61 1.02 0.99 0.00 0.00 0.00 175.76 176.54 2fki s THR 27 N 1.38 4.58 -0.27 0.00 2.01 0.20 -4.39 115.64 119.14 2fki s THR 27 Ca 0.08 1.67 -0.12 0.00 0.31 0.00 0.00 61.69 63.64 2fki s THR 27 Cb -0.18 -4.36 -0.05 0.00 0.01 0.00 0.00 72.50 67.93 2fki s THR 27 CO -0.17 -0.41 0.21 -1.10 -0.69 0.00 0.00 174.62 172.46 2fki s GLN 28 N 3.48 3.99 -0.39 4.92 -0.21 0.11 -0.49 119.66 131.06 2fki s GLN 28 Ca 0.43 -0.25 -0.15 0.00 0.02 0.00 0.00 55.36 55.41 2fki s GLN 28 Cb -0.13 -3.63 0.01 0.00 1.00 0.00 0.00 33.01 30.26 2fki s GLN 28 CO 0.14 -0.14 0.30 0.42 -2.12 0.00 0.00 175.29 173.89 2fki s ILE 29 N 1.65 5.25 0.27 1.08 1.01 -0.76 -0.35 121.20 129.34 2fki s ILE 29 Ca 0.08 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2fki s ILE 29 Cb -0.15 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 2fki s ILE 29 CO 0.09 -0.24 0.08 -1.59 0.00 0.00 0.00 174.94 173.28 2fki s LYS 30 N 1.75 1.45 0.00 2.79 -2.85 -0.18 -3.54 119.74 119.16 2fki s LYS 30 Ca 0.06 -1.78 0.00 0.00 -1.00 0.00 0.00 55.97 53.25 2fki s LYS 30 Cb -0.18 -0.42 0.00 0.00 -2.06 0.00 0.00 37.83 35.17 2fki s LYS 30 CO 0.11 -0.25 0.00 0.28 0.10 0.00 0.00 175.35 175.58 2fki n VAL 31 N -0.50 0.00 0.20 1.79 0.31 0.09 0.37 118.33 120.59 2fki n VAL 31 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.18 2fki n VAL 31 Cb 0.66 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.52 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 -0.71 0.00 5.55 3.07 -1.97 -3.40 114.58 117.12 2fki h GLU 32 Ca 0.00 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2fki h GLU 32 Cb 0.00 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 2fki h GLU 32 CO 0.00 -0.47 0.00 -3.47 -1.40 0.00 0.00 179.01 173.67 2fki n ASP 33 N -4.73 0.14 -4.48 1.42 2.03 -1.26 -5.03 116.55 104.64 2fki n ASP 33 Ca -0.09 -1.04 -0.43 0.00 0.52 0.00 0.00 54.79 53.76 2fki n ASP 33 Cb 0.34 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.71 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 -0.04 4.28 -0.18 5.18 1.01 -1.26 -5.00 120.40 124.39 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 -4.67 -0.01 0.00 0.00 0.00 0.00 36.38 31.70 2fki s VAL 34 CO 0.00 -1.40 0.82 -0.22 0.00 0.00 0.00 175.10 174.30 2fki s LEU 35 N 4.21 4.16 -0.09 3.92 2.96 -1.26 -0.74 118.68 131.85 2fki s LEU 35 Ca 0.26 1.14 0.05 0.00 -0.22 0.00 0.00 54.13 55.35 2fki s LEU 35 Cb -0.15 -3.21 -0.08 0.00 0.50 0.00 0.00 46.19 43.25 2fki s LEU 35 CO 0.13 -0.40 -0.02 2.22 -1.32 0.00 0.00 176.35 176.96 2fki n PHE 36 N 5.31 0.00 -3.46 5.38 1.16 -1.23 -4.92 117.46 119.69 2fki n PHE 36 Ca 0.04 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.48 2fki n PHE 36 Cb 0.49 -0.39 -0.04 0.00 -1.61 0.00 0.00 39.48 37.94 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 -2.19 -1.63 -0.08 1.98 0.00 -1.24 -1.04 121.76 117.55 2fki s ALA 37 Ca -0.08 0.77 -0.09 0.00 0.00 0.00 0.00 51.96 52.56 2fki s ALA 37 Cb 0.03 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.73 2fki s ALA 37 CO 0.28 -0.62 0.24 0.00 0.00 0.00 0.00 175.76 175.67 2fki s MET 38 N -2.81 0.34 -0.41 0.00 0.23 -0.56 -1.83 119.30 114.25 2fki s MET 38 Ca -0.03 0.22 -0.16 0.00 -1.03 0.00 0.00 55.69 54.69 2fki s MET 38 Cb -0.01 0.16 0.02 0.00 -1.53 0.00 0.00 34.83 33.47 2fki s MET 38 CO -0.05 -0.05 0.33 0.14 -2.03 0.00 0.00 175.02 173.36 2fki s VAL 39 N -0.14 5.22 -0.23 5.16 -7.23 0.36 -0.99 120.40 122.54 2fki s VAL 39 Ca -0.03 -0.60 -0.08 0.00 -1.81 0.00 0.00 61.98 59.46 2fki s VAL 39 Cb -0.03 -3.96 -0.04 0.00 0.56 0.00 0.00 36.38 32.92 2fki s VAL 39 CO 0.01 -0.34 0.10 -1.59 -0.31 0.00 0.00 175.10 172.97 2fki s LYS 40 N 1.78 3.86 -0.46 4.82 -2.85 0.83 -0.63 119.74 127.09 2fki s LYS 40 Ca 0.07 -0.38 -0.29 0.00 -1.00 0.00 0.00 55.97 54.36 2fki s LYS 40 Cb -0.19 -3.38 0.03 0.00 -2.06 0.00 0.00 37.83 32.23 2fki s LYS 40 CO 0.11 -0.01 1.16 -1.21 0.10 0.00 0.00 175.35 175.49 2fki s GLU 41 N 1.18 3.74 -0.22 1.78 2.02 0.09 -2.76 118.70 124.54 2fki s GLU 41 Ca 0.05 0.65 0.01 0.00 0.02 0.00 0.00 54.97 55.70 2fki s GLU 41 Cb -0.14 -3.90 0.05 0.00 0.10 0.00 0.00 34.13 30.23 2fki s GLU 41 CO 0.04 -1.36 -0.11 0.54 0.02 0.00 0.00 175.26 174.39 2fki s VAL 42 N 4.48 1.80 -1.65 2.63 0.11 -1.14 -4.60 120.40 122.03 2fki s VAL 42 Ca 0.49 -1.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 2fki s VAL 42 Cb -0.08 -1.88 0.00 0.00 -1.53 0.00 0.00 36.38 32.89 2fki s VAL 42 CO 0.30 0.13 0.00 1.21 -3.33 0.00 0.00 175.10 173.42 2fki n GLU 43 N 4.61 -1.39 -0.68 1.54 2.13 -1.26 -1.38 120.64 124.22 2fki n GLU 43 Ca -0.15 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.62 2fki n GLU 43 Cb 0.46 -5.38 0.00 0.00 0.27 0.00 0.00 31.44 26.78 2fki n GLU 43 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2fki n ASN 44 N -1.29 0.00 -4.77 4.31 5.15 -1.26 -4.98 115.26 112.42 2fki n ASN 44 Ca -0.20 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.40 2fki n ASN 44 Cb 0.64 -1.29 -0.06 0.00 -0.53 0.00 0.00 39.78 38.53 2fki n ASN 44 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2fki s ARG 45 N -0.50 4.10 -0.12 1.20 0.52 -0.48 -5.02 118.95 118.65 2fki s ARG 45 Ca 0.00 0.21 -0.29 0.00 -0.52 0.00 0.00 55.73 55.13 2fki s ARG 45 Cb 0.00 -3.35 -0.05 0.00 0.52 0.00 0.00 34.95 32.07 2fki s ARG 45 CO 0.00 0.40 1.74 -1.25 0.02 0.00 0.00 175.30 176.21 2fki s PRO 46 N -0.06 3.92 -0.09 3.54 0.04 -1.26 -2.88 135.00 138.21 2fki s PRO 46 Ca 0.20 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.29 2fki s PRO 46 Cb -0.14 -4.07 0.01 0.00 0.04 0.00 0.00 34.50 30.34 2fki s PRO 46 CO 0.07 -1.16 -0.16 0.00 0.04 0.00 0.00 177.00 175.80 2fki s ALA 47 N 4.97 1.60 0.07 8.56 0.00 -1.11 -0.44 121.76 135.41 2fki s ALA 47 Ca 0.77 -0.64 0.08 0.00 0.00 0.00 0.00 51.96 52.17 2fki s ALA 47 Cb -0.31 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2fki s ALA 47 CO 0.32 0.10 -0.17 0.54 0.00 0.00 0.00 175.76 176.55 2fki s VAL 48 N 0.68 2.92 -0.10 0.00 0.11 -0.03 -0.12 120.40 123.86 2fki s VAL 48 Ca -0.13 -1.29 0.01 0.00 -2.93 0.00 0.00 61.98 57.63 2fki s VAL 48 Cb -0.16 -2.29 0.02 0.00 -1.53 0.00 0.00 36.38 32.42 2fki s VAL 48 CO 0.04 0.22 -0.11 -0.44 -3.33 0.00 0.00 175.10 171.48 2fki s SER 49 N -1.79 2.08 0.02 3.54 0.01 -0.16 0.03 113.70 117.43 2fki s SER 49 Ca 0.17 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.11 2fki s SER 49 Cb -0.11 -0.89 -0.04 0.00 0.21 0.00 0.00 66.02 65.20 2fki s SER 49 CO 0.08 -0.03 0.04 -0.76 0.41 0.00 0.00 173.24 172.98 2fki s LEU 50 N 1.16 3.70 0.11 2.44 1.02 -1.06 -1.50 118.68 124.56 2fki s LEU 50 Ca -0.05 0.03 -0.21 0.00 0.02 0.00 0.00 54.13 53.92 2fki s LEU 50 Cb -0.14 -2.22 -0.10 0.00 0.02 0.00 0.00 46.19 43.75 2fki s LEU 50 CO -0.03 0.24 1.75 0.50 0.02 0.00 0.00 176.35 178.84 2fki h LYS 51 N 3.94 0.10 -1.30 1.70 3.64 -1.44 -3.25 116.57 119.95 2fki h LYS 51 Ca -0.48 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.03 2fki h LYS 51 Cb 1.17 -0.02 -0.29 0.00 -0.41 0.00 0.00 32.23 32.69 2fki h LYS 51 CO 0.61 0.07 0.71 -0.08 -2.27 0.00 0.00 179.45 178.49 2fki s THR 52 N -6.19 0.00 -0.24 1.00 -1.32 -1.26 -4.80 115.64 102.84 2fki s THR 52 Ca -0.13 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.17 2fki s THR 52 Cb 0.08 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.13 2fki s THR 52 CO 0.68 0.00 0.61 -0.44 -2.21 0.00 0.00 174.62 173.26 2fki s SER 53 N -0.24 -0.72 0.07 8.08 0.01 -1.26 -4.93 113.70 114.71 2fki s SER 53 Ca 0.05 1.28 -0.34 0.00 1.31 0.00 0.00 55.95 58.25 2fki s SER 53 Cb -0.04 1.23 -0.19 0.00 0.21 0.00 0.00 66.02 67.24 2fki s SER 53 CO -0.09 -0.22 1.61 1.55 0.41 0.00 0.00 173.24 176.50 2fki h PRO 54 N 6.01 -0.96 -0.21 12.44 0.13 -2.02 -1.13 132.00 146.26 2fki h PRO 54 Ca -0.30 0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 64.78 2fki h PRO 54 Cb 1.19 0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 2fki h PRO 54 CO 0.15 -0.64 -0.35 1.49 -0.23 0.00 0.00 178.00 178.42 2fki h GLU 55 N -1.00 0.45 -0.76 0.86 4.81 -1.98 -1.10 114.58 115.87 2fki h GLU 55 Ca -0.10 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 58.87 2fki h GLU 55 Cb 0.78 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 2fki h GLU 55 CO 0.14 0.75 0.26 -0.07 -0.73 0.00 0.00 179.01 179.36 2fki h LEU 56 N 0.39 1.09 -0.66 1.64 -0.00 -1.97 0.95 115.31 116.76 2fki h LEU 56 Ca 0.04 -0.19 -0.12 0.00 -0.00 0.00 0.00 57.88 57.60 2fki h LEU 56 Cb 0.80 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.17 2fki h LEU 56 CO 0.06 0.99 -0.29 0.00 -0.00 0.00 0.00 178.44 179.21 2fki h ALA 57 N 1.15 0.84 -0.64 1.53 0.00 -0.89 -3.06 119.26 118.18 2fki h ALA 57 Ca 0.25 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2fki h ALA 57 Cb 0.28 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2fki h ALA 57 CO -0.01 0.64 0.29 0.93 0.00 0.00 0.00 179.25 181.09 2fki h GLU 58 N 0.62 0.94 -0.86 0.00 4.39 -0.52 -2.13 114.58 117.04 2fki h GLU 58 Ca 0.07 -0.15 0.18 0.00 0.34 0.00 0.00 59.36 59.80 2fki h GLU 58 Cb 0.81 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.24 2fki h GLU 58 CO 0.07 0.77 0.57 -0.07 -1.16 0.00 0.00 179.01 179.19 2fki h LEU 59 N 0.90 0.42 -0.53 1.33 4.07 -0.73 0.22 115.31 120.98 2fki h LEU 59 Ca 0.22 0.04 -0.04 0.00 0.08 0.00 0.00 57.88 58.17 2fki h LEU 59 Cb 0.16 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 2fki h LEU 59 CO -0.02 0.19 0.16 0.25 -1.08 0.00 0.00 178.44 177.93 2fki h LEU 60 N 0.43 0.78 -0.16 1.67 6.46 -1.35 0.15 115.31 123.28 2fki h LEU 60 Ca 0.44 -0.21 -0.23 0.00 -0.12 0.00 0.00 57.88 57.76 2fki h LEU 60 Cb 1.04 -0.20 0.01 0.00 -0.73 0.00 0.00 40.66 40.78 2fki h LEU 60 CO -0.16 0.78 -0.93 0.03 -0.62 0.00 0.00 178.44 177.54 2fki h ARG 61 N 0.74 0.48 0.09 1.25 -0.00 -1.02 -3.39 114.38 112.52 2fki h ARG 61 Ca 0.17 -0.50 -0.00 0.00 -0.50 0.00 0.00 59.98 59.15 2fki h ARG 61 Cb 0.29 0.14 0.00 0.00 0.00 0.00 0.00 29.97 30.39 2fki h ARG 61 CO -0.00 1.14 -0.04 1.96 0.00 0.00 0.00 179.97 183.02 2fki h GLN 62 N 0.28 -0.12 -4.77 0.04 7.50 -0.49 -3.45 115.11 114.11 2fki h GLN 62 Ca -0.08 0.01 -0.67 0.00 0.50 0.00 0.00 58.65 58.41 2fki h GLN 62 Cb 1.57 0.03 -0.37 0.00 0.05 0.00 0.00 27.48 28.75 2fki h GLN 62 CO 0.17 -0.08 -0.74 -0.65 -1.50 0.00 0.00 178.83 176.03 2fki s GLN 63 N -1.84 1.97 0.00 1.46 -1.52 0.51 -4.96 119.66 115.28 2fki s GLN 63 Ca -0.02 -1.56 0.06 0.00 -1.95 0.00 0.00 55.36 51.89 2fki s GLN 63 Cb 0.00 -3.08 0.35 0.00 -0.22 0.00 0.00 33.01 30.06 2fki s GLN 63 CO 0.05 -0.74 1.21 0.72 -0.25 0.00 0.00 175.29 176.29 2fki n HIS 64 N 4.40 0.00 -0.01 0.91 8.25 -1.26 -2.69 115.22 124.81 2fki n HIS 64 Ca -0.07 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.44 2fki n HIS 64 Cb 0.42 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.45 2fki n HIS 64 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2fki n SER 65 N -0.59 2.69 0.07 0.41 7.64 -1.26 -4.51 113.62 118.08 2fki n SER 65 Ca 0.04 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.94 2fki n SER 65 Cb 0.02 1.40 -0.04 0.00 -1.01 0.00 0.00 64.21 64.58 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 0.00 0.00 -3.66 6.43 5.19 -1.85 -3.45 116.42 119.08 2fki h ASP 66 Ca -0.02 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.71 2fki h ASP 66 Cb 0.56 0.00 -0.22 0.00 0.18 0.00 0.00 39.33 39.84 2fki h ASP 66 CO 0.00 0.49 -0.73 0.54 -3.12 0.00 0.00 179.24 176.42 2fki s VAL 67 N -2.98 3.38 -0.43 -1.35 0.11 -1.14 -4.81 120.40 113.19 2fki s VAL 67 Ca -0.00 -0.58 0.02 0.00 -2.93 0.00 0.00 61.98 58.49 2fki s VAL 67 Cb 0.08 -2.39 0.15 0.00 -1.53 0.00 0.00 36.38 32.69 2fki s VAL 67 CO 0.79 0.57 0.27 -0.13 -3.33 0.00 0.00 175.10 173.27 2fki s ARG 68 N -0.38 1.08 -0.06 1.54 0.52 -1.25 -4.76 118.95 115.63 2fki s ARG 68 Ca 0.05 -1.93 -0.29 0.00 -0.52 0.00 0.00 55.73 53.04 2fki s ARG 68 Cb -0.12 -1.92 -0.02 0.00 0.52 0.00 0.00 34.95 33.41 2fki s ARG 68 CO 0.02 -1.23 0.98 -2.14 0.02 0.00 0.00 175.30 172.95 2fki s PRO 69 N 0.37 4.48 0.01 3.54 0.02 -1.26 -4.61 135.00 137.55 2fki s PRO 69 Ca 0.21 1.38 0.06 0.00 0.02 0.00 0.00 61.00 62.67 2fki s PRO 69 Cb -0.16 -3.51 -0.02 0.00 0.02 0.00 0.00 34.50 30.83 2fki s PRO 69 CO -0.05 -0.19 -0.17 -1.54 -0.33 0.00 0.00 177.00 174.71 2fki s SER 70 N 1.05 2.06 -0.01 2.53 1.04 -1.26 -4.99 113.70 114.12 2fki s SER 70 Ca 0.49 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2fki s SER 70 Cb -0.19 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.74 2fki s SER 70 CO 0.22 0.18 1.18 -2.11 0.98 0.00 0.00 173.24 173.68 2fki n ARG 71 N 2.38 1.03 0.28 4.02 1.85 -1.26 -3.84 116.66 121.11 2fki n ARG 71 Ca -0.16 -0.07 0.18 0.00 -1.00 0.00 0.00 57.85 56.80 2fki n ARG 71 Cb 0.54 -1.03 0.81 0.00 -1.05 0.00 0.00 32.46 31.73 2fki n ARG 71 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2fki h HIS 72 N 0.18 0.00 0.00 2.89 2.76 -2.01 -3.40 115.15 115.58 2fki h HIS 72 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2fki h HIS 72 Cb 1.04 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.00 2fki h HIS 72 CO 0.07 0.00 0.00 1.28 -1.30 0.00 0.00 177.93 177.98 2fki n LEU 73 N -2.98 -0.22 -3.66 0.26 4.77 -1.26 -5.11 117.00 108.81 2fki n LEU 73 Ca -0.00 0.32 -0.06 0.00 -0.03 0.00 0.00 56.01 56.24 2fki n LEU 73 Cb 0.23 0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 2fki n LEU 73 CO 0.24 -0.65 0.18 0.21 -1.33 0.00 0.00 177.39 176.04 2fki s ASN 74 N -4.48 -0.75 0.07 -1.43 3.84 -1.26 -5.06 114.94 105.87 2fki s ASN 74 Ca 0.00 1.28 0.12 0.00 0.21 0.00 0.00 52.86 54.47 2fki s ASN 74 Cb 0.00 1.57 -0.17 0.00 -0.55 0.00 0.00 41.25 42.10 2fki s ASN 74 CO 0.00 -0.22 1.00 0.50 -2.79 0.00 0.00 177.10 175.59 2fki h LYS 75 N 7.67 0.00 0.00 0.43 3.64 -1.79 -3.32 116.57 123.19 2fki h LYS 75 Ca -0.23 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.01 2fki h LYS 75 Cb 1.15 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2fki h LYS 75 CO 0.15 0.64 -1.51 0.00 -2.27 0.00 0.00 179.45 176.46 2fki n ALA 76 N -2.41 1.81 0.02 5.00 0.00 -1.26 -4.64 120.51 119.02 2fki n ALA 76 Ca -0.07 -0.42 -0.04 0.00 0.00 0.00 0.00 53.44 52.90 2fki n ALA 76 Cb 0.94 0.21 -0.10 0.00 0.00 0.00 0.00 19.45 20.50 2fki n ALA 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2fki h HIS 77 N 0.00 0.00 -1.88 0.00 2.76 -1.98 -3.45 115.15 110.59 2fki h HIS 77 Ca -0.20 0.00 -0.50 0.00 -2.20 0.00 0.00 60.37 57.47 2fki h HIS 77 Cb 1.37 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.29 2fki h HIS 77 CO 0.01 0.80 -0.45 -1.58 -1.30 0.00 0.00 177.93 175.40 2fki s TRP 78 N -2.76 2.93 -0.10 5.26 0.52 -1.25 -4.88 118.94 118.65 2fki s TRP 78 Ca -0.03 -0.28 0.02 0.00 0.02 0.00 0.00 56.10 55.83 2fki s TRP 78 Cb 0.08 -1.76 0.01 0.00 -1.15 0.00 0.00 33.47 30.66 2fki s TRP 78 CO 0.81 0.22 -0.15 -1.12 0.02 0.00 0.00 176.95 176.72 2fki s SER 79 N -3.98 2.37 -0.29 2.95 0.01 -1.23 -4.51 113.70 109.02 2fki s SER 79 Ca 0.40 -0.41 -0.06 0.00 1.31 0.00 0.00 55.95 57.19 2fki s SER 79 Cb -0.06 -1.07 0.01 0.00 0.21 0.00 0.00 66.02 65.11 2fki s SER 79 CO 0.26 0.03 0.06 -0.89 0.41 0.00 0.00 173.24 173.12 2fki s THR 80 N 0.85 3.82 -0.31 1.44 2.01 -1.26 -2.56 115.64 119.64 2fki s THR 80 Ca -0.10 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.08 2fki s THR 80 Cb -0.15 -2.96 -0.01 0.00 0.01 0.00 0.00 72.50 69.38 2fki s THR 80 CO 0.01 0.10 0.16 -0.69 -0.69 0.00 0.00 174.62 173.50 2fki s VAL 81 N 1.48 4.67 -0.38 3.82 1.01 0.10 -3.95 120.40 127.15 2fki s VAL 81 Ca 0.02 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.39 2fki s VAL 81 Cb -0.17 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2fki s VAL 81 CO 0.01 0.08 0.84 -0.31 0.00 0.00 0.00 175.10 175.72 2fki s TYR 82 N 1.63 3.07 -1.43 5.22 1.51 -1.26 -0.85 117.35 125.23 2fki s TYR 82 Ca 0.05 0.55 -0.14 0.00 -1.01 0.00 0.00 57.07 56.53 2fki s TYR 82 Cb -0.17 -3.56 0.06 0.00 -0.11 0.00 0.00 41.96 38.18 2fki s TYR 82 CO 0.07 -0.82 2.18 1.28 -1.11 0.00 0.00 175.55 177.14 2fki n LEU 83 N 6.63 6.80 -3.43 -1.29 4.77 0.41 -4.57 117.00 126.32 2fki n LEU 83 Ca 0.04 -4.20 -0.21 0.00 -0.03 0.00 0.00 56.01 51.62 2fki n LEU 83 Cb 0.48 -1.64 -0.11 0.00 -2.33 0.00 0.00 43.42 39.83 2fki n LEU 83 CO 0.57 1.12 -0.22 -0.62 -1.33 0.00 0.00 177.39 176.91 2fki s ASP 84 N 2.93 2.10 0.00 -1.43 2.15 -1.26 -4.57 116.67 116.59 2fki s ASP 84 Ca 0.46 -1.22 0.00 0.00 0.43 0.00 0.00 52.55 52.23 2fki s ASP 84 Cb 0.13 0.24 0.00 0.00 -0.30 0.00 0.00 42.92 42.99 2fki s ASP 84 CO -0.08 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.17 2fki n GLY 85 N 4.91 1.89 3.77 2.66 0.00 -1.26 -4.95 105.19 112.22 2fki n GLY 85 Ca 0.02 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 7.49 0.17 1.61 0.01 -1.26 -4.85 113.70 116.87 2fki s SER 86 Ca 0.00 1.79 0.00 0.00 1.31 0.00 0.00 55.95 59.05 2fki s SER 86 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2fki s SER 86 CO 0.00 0.16 0.00 0.18 0.41 0.00 0.00 173.24 173.99 2fki n LEU 87 N 1.43 -4.07 0.00 2.44 4.77 -1.26 -4.71 117.00 115.60 2fki n LEU 87 Ca -0.03 1.53 -0.22 0.00 -0.03 0.00 0.00 56.01 57.25 2fki n LEU 87 Cb 0.48 -1.05 0.14 0.00 -2.33 0.00 0.00 43.42 40.66 2fki n LEU 87 CO 0.48 -0.36 0.63 -0.81 -1.33 0.00 0.00 177.39 176.00 2fki n PRO 88 N 0.07 -0.71 -0.25 3.23 -0.04 -1.26 -4.89 135.00 131.15 2fki n PRO 88 Ca 0.00 -1.82 0.02 0.00 -0.04 0.00 0.00 63.50 61.66 2fki n PRO 88 Cb 0.00 -0.92 0.24 0.00 -0.04 0.00 0.00 33.50 32.78 2fki n PRO 88 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2fki h ASP 89 N -1.12 0.88 -0.95 3.54 3.32 -1.97 -2.53 116.42 117.60 2fki h ASP 89 Ca -0.32 -0.01 0.13 0.00 0.02 0.00 0.00 57.03 56.85 2fki h ASP 89 Cb 0.96 -0.21 -0.09 0.00 0.22 0.00 0.00 39.33 40.22 2fki h ASP 89 CO 0.26 0.61 0.58 0.28 -1.72 0.00 0.00 179.24 179.25 2fki h SER 90 N 1.03 0.81 -0.17 6.45 0.02 -2.01 -0.35 113.55 119.33 2fki h SER 90 Ca 0.32 0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 61.23 2fki h SER 90 Cb 0.01 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2fki h SER 90 CO -0.09 0.41 -0.22 1.56 -1.14 0.00 0.00 176.83 177.34 2fki h GLN 91 N 0.88 0.61 -0.79 3.45 1.08 -1.82 -2.95 115.11 115.57 2fki h GLN 91 Ca 0.49 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 57.42 2fki h GLN 91 Cb 0.55 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 2fki h GLN 91 CO -0.29 0.79 0.35 0.82 -0.95 0.00 0.00 178.83 179.55 2fki h ILE 92 N 0.54 1.25 -0.38 2.54 2.04 -1.08 -0.34 117.51 122.09 2fki h ILE 92 Ca 0.08 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2fki h ILE 92 Cb 0.68 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2fki h ILE 92 CO 0.05 0.31 0.24 1.88 0.00 0.00 0.00 178.15 180.63 2fki h TYR 93 N 1.13 0.48 -0.15 1.37 0.05 -1.32 -2.89 116.97 115.65 2fki h TYR 93 Ca 0.27 0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.95 2fki h TYR 93 Cb 0.16 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 2fki h TYR 93 CO 0.02 0.32 -0.37 -0.92 -1.05 0.00 0.00 178.16 176.15 2fki h TYR 94 N 0.50 0.37 -0.44 4.88 3.20 -1.28 -0.83 116.97 123.38 2fki h TYR 94 Ca 0.14 -0.09 0.07 0.00 3.14 0.00 0.00 58.73 61.98 2fki h TYR 94 Cb -0.04 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.09 2fki h TYR 94 CO -0.05 0.65 0.09 -0.07 -1.64 0.00 0.00 178.16 177.14 2fki h LEU 95 N 0.27 0.00 0.00 2.82 3.38 -0.87 0.19 115.31 121.11 2fki h LEU 95 Ca 0.03 0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 2fki h LEU 95 Cb 0.78 0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.65 2fki h LEU 95 CO 0.06 0.04 -0.59 0.58 0.09 0.00 0.00 178.44 178.62 2fki h VAL 96 N 0.22 1.43 0.26 1.22 2.07 -1.45 -3.17 116.25 116.83 2fki h VAL 96 Ca 0.21 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.64 2fki h VAL 96 Cb 0.27 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2fki h VAL 96 CO -0.28 0.60 -0.12 -0.78 0.02 0.00 0.00 177.57 177.01 2fki h ASP 97 N -0.13 -0.29 -0.50 0.57 3.58 -0.87 -0.07 116.42 118.71 2fki h ASP 97 Ca -0.07 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2fki h ASP 97 Cb 1.30 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.41 2fki h ASP 97 CO 0.12 -0.18 0.31 0.00 -2.88 0.00 0.00 179.24 176.61 2fki h ALA 98 N 0.36 0.64 -0.39 -0.78 0.00 -0.78 0.28 119.26 118.59 2fki h ALA 98 Ca -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2fki h ALA 98 Cb 0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2fki h ALA 98 CO 0.06 0.11 0.14 0.77 0.00 0.00 0.00 179.25 180.32 2fki h SER 99 N 0.67 0.55 -0.40 0.00 0.02 -1.50 -1.58 113.55 111.32 2fki h SER 99 Ca 0.18 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2fki h SER 99 Cb -0.04 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2fki h SER 99 CO -0.04 0.59 0.09 0.22 -1.14 0.00 0.00 176.83 176.55 2fki h TYR 100 N 0.48 0.68 -0.04 3.45 3.20 -0.68 -2.76 116.97 121.29 2fki h TYR 100 Ca 0.13 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2fki h TYR 100 Cb 0.23 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 2fki h TYR 100 CO 0.00 0.66 0.02 0.37 -1.64 0.00 0.00 178.16 177.58 2fki h GLN 101 N 0.50 0.06 -0.22 1.82 5.75 -0.27 -1.17 115.11 121.59 2fki h GLN 101 Ca 0.12 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 2fki h GLN 101 Cb 0.33 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 2fki h GLN 101 CO 0.00 0.14 -0.02 -0.56 -2.65 0.00 0.00 178.83 175.74 2fki h GLN 102 N -0.03 0.33 -0.46 1.69 3.07 -1.32 -0.58 115.11 117.80 2fki h GLN 102 Ca 0.02 -0.06 -0.11 0.00 0.09 0.00 0.00 58.65 58.59 2fki h GLN 102 Cb 0.10 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 27.59 2fki h GLN 102 CO -0.00 0.38 -0.16 0.00 0.09 0.00 0.00 178.83 179.13 2fki h ALA 103 N 1.66 0.84 -0.36 0.06 0.00 -1.14 -2.51 119.26 117.81 2fki h ALA 103 Ca 0.07 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 2fki h ALA 103 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2fki h ALA 103 CO 0.01 0.64 -0.13 0.28 0.00 0.00 0.00 179.25 180.06 2fki h VAL 104 N 0.78 1.25 0.00 0.00 2.07 -0.28 -2.39 116.25 117.68 2fki h VAL 104 Ca 0.12 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 2fki h VAL 104 Cb 0.69 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2fki h VAL 104 CO 0.05 0.37 -0.12 0.78 0.02 0.00 0.00 177.57 178.68 2fki h ASN 105 N 0.58 0.00 0.47 0.57 2.35 -0.79 -0.82 115.58 117.93 2fki h ASN 105 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2fki h ASN 105 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2fki h ASN 105 CO 0.03 0.12 -0.29 0.18 -1.65 0.00 0.00 177.43 175.82 2fki n LEU 106 N -3.54 0.57 -4.83 1.61 4.77 -0.92 -4.89 117.00 109.77 2fki n LEU 106 Ca -0.01 -0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.63 2fki n LEU 106 Cb 0.26 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 2fki n LEU 106 CO 0.30 0.12 0.55 -0.76 -1.33 0.00 0.00 177.39 176.27 2fki s LEU 107 N -2.76 4.00 0.97 2.23 1.43 -0.32 -5.05 118.68 119.18 2fki s LEU 107 Ca 0.19 1.52 -0.11 0.00 -1.03 0.00 0.00 54.13 54.69 2fki s LEU 107 Cb 0.19 -4.34 0.18 0.00 0.03 0.00 0.00 46.19 42.24 2fki s LEU 107 CO 0.58 -0.29 1.10 -2.84 0.23 0.00 0.00 176.35 175.13 2fki s PRO 108 N -3.08 0.61 0.19 1.29 0.02 -1.26 -4.79 135.00 127.98 2fki s PRO 108 Ca 0.59 1.16 -0.13 0.00 0.02 0.00 0.00 61.00 62.64 2fki s PRO 108 Cb -0.10 -1.71 0.21 0.00 0.02 0.00 0.00 34.50 32.93 2fki s PRO 108 CO 0.15 -2.79 1.70 1.49 -0.33 0.00 0.00 177.00 177.22 2fki h GLU 109 N -1.96 0.19 -0.40 5.54 4.57 -1.96 -2.37 114.58 118.18 2fki h GLU 109 Ca -0.50 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 57.75 2fki h GLU 109 Cb 1.29 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 29.76 2fki h GLU 109 CO 0.48 0.13 -0.12 1.49 -1.18 0.00 0.00 179.01 179.80 2fki h GLU 110 N 0.19 -0.02 -0.34 1.92 4.81 -2.00 -1.84 114.58 117.30 2fki h GLU 110 Ca 0.26 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 2fki h GLU 110 Cb 0.38 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2fki h GLU 110 CO -0.37 -0.02 -0.03 0.87 -0.73 0.00 0.00 179.01 178.73 2fki h LYS 111 N -0.02 0.62 -0.73 1.92 6.56 -1.79 -2.77 116.57 120.35 2fki h LYS 111 Ca 0.19 -0.21 -0.04 0.00 -1.06 0.00 0.00 60.65 59.54 2fki h LYS 111 Cb 0.32 -0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 31.90 2fki h LYS 111 CO -0.43 0.76 0.32 0.00 -2.06 0.00 0.00 179.45 178.04 2fki h ARG 112 N 0.42 1.08 -0.33 3.15 3.08 -1.17 -1.17 114.38 119.43 2fki h ARG 112 Ca 0.09 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2fki h ARG 112 Cb 0.50 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2fki h ARG 112 CO 0.02 0.87 0.14 0.87 -1.07 0.00 0.00 179.97 180.81 2fki h LYS 113 N 1.04 0.46 -0.21 0.04 1.57 -1.24 -2.00 116.57 116.24 2fki h LYS 113 Ca 0.25 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.83 2fki h LYS 113 Cb 0.17 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2fki h LYS 113 CO -0.02 0.38 -0.44 -0.07 -0.57 0.00 0.00 179.45 178.72 2fki h LEU 114 N 0.46 0.75 -1.92 2.94 3.38 -1.09 -3.16 115.31 116.67 2fki h LEU 114 Ca 0.12 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 2fki h LEU 114 Cb 0.08 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2fki h LEU 114 CO -0.01 1.17 -0.09 -0.07 0.09 0.00 0.00 178.44 179.52 2fki h LEU 115 N 0.37 0.00 -0.66 1.67 3.38 -0.60 -1.03 115.31 118.43 2fki h LEU 115 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2fki h LEU 115 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2fki h LEU 115 CO 0.10 0.09 -0.46 0.58 0.09 0.00 0.00 178.44 178.84 2fki h VAL 116 N 0.00 1.31 0.00 1.22 2.07 -1.36 -3.09 116.25 116.41 2fki h VAL 116 Ca -0.00 -1.65 -0.14 0.00 0.82 0.00 0.00 66.70 65.73 2fki h VAL 116 Cb 0.18 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2fki h VAL 116 CO 0.01 0.51 -0.65 1.56 0.02 0.00 0.00 177.57 179.03 2fki h GLN 117 N 0.40 0.00 0.00 1.57 1.08 -1.19 -3.52 115.11 113.45 2fki h GLN 117 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2fki h GLN 117 Cb 0.96 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 2fki h GLN 117 CO 0.08 0.65 0.00 1.28 -0.95 0.00 0.00 178.83 179.89