#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 4.92 0.27 1.12 2.01 -1.26 -4.98 115.64 117.72 2fki s THR 2 Ca 0.00 -1.16 -0.01 0.00 0.31 0.00 0.00 61.69 60.83 2fki s THR 2 Cb 0.00 -3.67 0.26 0.00 0.01 0.00 0.00 72.50 69.10 2fki s THR 2 CO 0.00 -0.34 1.83 0.40 -0.69 0.00 0.00 174.62 175.82 2fki h ILE 3 N 1.31 0.92 -0.59 1.82 1.08 -2.02 -0.43 117.51 119.59 2fki h ILE 3 Ca -0.51 -0.32 0.03 0.00 -0.39 0.00 0.00 64.86 63.67 2fki h ILE 3 Cb 1.23 -0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.86 2fki h ILE 3 CO 0.61 0.17 0.39 0.28 -0.69 0.00 0.00 178.15 178.91 2fki h SER 4 N 0.93 0.62 0.37 1.72 0.02 -1.99 0.14 113.55 115.35 2fki h SER 4 Ca 0.46 -0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 61.15 2fki h SER 4 Cb 0.44 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.84 2fki h SER 4 CO -0.26 0.43 -1.07 -0.33 -1.14 0.00 0.00 176.83 174.47 2fki h GLU 5 N 0.72 0.42 -0.79 3.45 5.08 -1.53 -2.84 114.58 119.08 2fki h GLU 5 Ca 0.23 -0.52 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 2fki h GLU 5 Cb 0.05 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 2fki h GLU 5 CO -0.06 1.18 0.41 1.25 -1.00 0.00 0.00 179.01 180.79 2fki h LEU 6 N 0.20 1.01 -1.09 1.33 7.12 -0.27 0.10 115.31 123.71 2fki h LEU 6 Ca -0.11 -0.11 0.02 0.00 0.13 0.00 0.00 57.88 57.81 2fki h LEU 6 Cb 1.73 -0.26 -0.05 0.00 -0.53 0.00 0.00 40.66 41.55 2fki h LEU 6 CO 0.19 0.83 0.61 -0.07 -0.13 0.00 0.00 178.44 179.87 2fki h LEU 7 N 1.10 1.04 -0.25 2.25 3.38 -0.73 -1.44 115.31 120.67 2fki h LEU 7 Ca 0.28 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 58.02 2fki h LEU 7 Cb 0.07 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2fki h LEU 7 CO -0.04 0.74 -0.72 -0.61 0.09 0.00 0.00 178.44 177.89 2fki h GLN 8 N 1.22 0.71 -0.77 1.13 4.15 -1.14 -3.12 115.11 117.29 2fki h GLN 8 Ca 0.35 -0.55 0.03 0.00 0.77 0.00 0.00 58.65 59.26 2fki h GLN 8 Cb -0.07 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 2fki h GLN 8 CO -0.09 1.17 0.51 -0.92 -1.93 0.00 0.00 178.83 177.57 2fki h TYR 9 N 0.50 0.91 0.00 3.99 3.20 -0.30 -0.72 116.97 124.55 2fki h TYR 9 Ca -0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2fki h TYR 9 Cb 1.33 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.30 2fki h TYR 9 CO 0.07 0.53 0.00 0.00 -1.64 0.00 0.00 178.16 177.13 2fki n MET 11 N -2.91 0.37 0.00 0.00 2.81 -0.28 -1.96 117.12 115.15 2fki n MET 11 Ca 0.00 0.03 0.11 0.00 -1.81 0.00 0.00 57.70 56.04 2fki n MET 11 Cb 0.25 -1.50 0.13 0.00 -0.71 0.00 0.00 33.22 31.39 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 -1.29 3.93 -2.63 3.04 0.00 -0.57 -4.84 120.51 118.15 2fki n ALA 12 Ca 0.13 -0.43 -0.38 0.00 0.00 0.00 0.00 53.44 52.75 2fki n ALA 12 Cb 0.22 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 2fki n ALA 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2fki s LYS 13 N -3.00 4.07 0.15 0.00 -0.14 -0.83 -5.04 119.74 114.95 2fki s LYS 13 Ca 0.10 0.05 -0.31 0.00 -1.36 0.00 0.00 55.97 54.44 2fki s LYS 13 Cb 0.17 -3.61 -0.10 0.00 -1.68 0.00 0.00 37.83 32.61 2fki s LYS 13 CO 0.75 -0.17 1.70 -2.14 -0.76 0.00 0.00 175.35 174.73 2fki s PRO 14 N 1.73 4.16 0.00 -1.68 0.02 -1.26 -2.43 135.00 135.53 2fki s PRO 14 Ca 0.15 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.67 2fki s PRO 14 Cb -0.15 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 31.07 2fki s PRO 14 CO 0.09 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 2fki n GLY 15 N 3.98 2.92 3.64 0.52 0.00 -1.26 -4.99 105.19 110.00 2fki n GLY 15 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.82 3.64 0.04 4.61 0.00 -1.02 -3.94 121.76 122.27 2fki s ALA 16 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.91 2fki s ALA 16 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 2fki s ALA 16 CO 0.00 -0.99 -0.12 -2.00 0.00 0.00 0.00 175.76 172.65 2fki s GLU 17 N 2.95 0.82 -0.22 0.00 2.56 -1.19 -4.73 118.70 118.89 2fki s GLU 17 Ca 0.37 -0.70 -0.19 0.00 0.00 0.00 0.00 54.97 54.44 2fki s GLU 17 Cb -0.15 -0.79 -0.03 0.00 2.00 0.00 0.00 34.13 35.16 2fki s GLU 17 CO 0.08 0.19 0.57 -0.65 -0.56 0.00 0.00 175.26 174.89 2fki s GLN 18 N -1.12 4.15 -0.01 4.30 -0.21 -1.26 -2.41 119.66 123.10 2fki s GLN 18 Ca -0.00 0.48 0.01 0.00 0.02 0.00 0.00 55.36 55.87 2fki s GLN 18 Cb -0.08 -3.60 0.00 0.00 1.00 0.00 0.00 33.01 30.33 2fki s GLN 18 CO 0.01 -0.27 -0.04 -1.54 -2.12 0.00 0.00 175.29 171.33 2fki s SER 19 N 1.32 0.55 -0.49 5.90 1.04 -1.03 -5.00 113.70 115.99 2fki s SER 19 Ca 0.25 -0.08 -0.28 0.00 0.48 0.00 0.00 55.95 56.33 2fki s SER 19 Cb -0.16 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 65.87 2fki s SER 19 CO 0.09 0.02 1.07 0.54 0.98 0.00 0.00 173.24 175.95 2fki s VAL 20 N 0.15 4.27 -0.16 5.02 0.11 -1.26 -2.16 120.40 126.37 2fki s VAL 20 Ca -0.01 0.99 -0.08 0.00 -2.93 0.00 0.00 61.98 59.95 2fki s VAL 20 Cb -0.05 -4.57 -0.04 0.00 -1.53 0.00 0.00 36.38 30.19 2fki s VAL 20 CO -0.00 -1.01 0.11 -2.28 -3.33 0.00 0.00 175.10 168.59 2fki s HIS 21 N 4.29 3.43 -0.26 1.54 5.04 -1.24 -5.02 115.29 123.08 2fki s HIS 21 Ca 0.43 0.34 -0.35 0.00 -1.54 0.00 0.00 55.06 53.94 2fki s HIS 21 Cb -0.08 -2.05 -0.12 0.00 0.04 0.00 0.00 32.58 30.37 2fki s HIS 21 CO 0.29 0.42 2.03 0.09 -2.34 0.00 0.00 174.74 175.23 2fki n ASN 22 N 2.94 2.62 0.00 9.88 4.13 -1.26 -4.18 115.26 129.38 2fki n ASN 22 Ca -0.18 0.67 0.00 0.00 1.68 0.00 0.00 54.58 56.75 2fki n ASN 22 Cb 0.53 -1.29 0.00 0.00 -1.54 0.00 0.00 39.78 37.48 2fki n ASN 22 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2fki n ASP 23 N 8.33 0.00 -0.43 6.41 2.03 -1.26 -4.94 116.55 126.69 2fki n ASP 23 Ca 0.33 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.72 2fki n ASP 23 Cb 0.24 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 40.83 2fki n ASP 23 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 2fki n TRP 24 N 0.00 0.37 -2.87 -0.67 8.01 -1.26 -4.97 117.44 116.05 2fki n TRP 24 Ca 0.00 -1.02 -0.08 0.00 -1.31 0.00 0.00 57.50 55.09 2fki n TRP 24 Cb 0.00 -0.23 0.01 0.00 -2.01 0.00 0.00 31.31 29.08 2fki n TRP 24 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 2fki n LYS 25 N -1.10 -2.60 -4.14 -0.99 4.81 -1.26 -5.03 118.16 107.85 2fki n LYS 25 Ca 0.19 2.23 -0.16 0.00 -0.87 0.00 0.00 58.31 59.70 2fki n LYS 25 Cb 0.75 -5.24 -0.12 0.00 0.02 0.00 0.00 35.03 30.44 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 -2.23 0.82 -0.31 3.14 0.00 -1.26 -4.92 121.76 117.00 2fki s ALA 26 Ca 0.19 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 2fki s ALA 26 Cb -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2fki s ALA 26 CO 0.76 0.08 1.09 0.99 0.00 0.00 0.00 175.76 178.68 2fki s THR 27 N -1.16 4.49 -0.24 0.00 2.01 -1.21 -3.59 115.64 115.93 2fki s THR 27 Ca -0.05 1.72 0.00 0.00 0.31 0.00 0.00 61.69 63.68 2fki s THR 27 Cb -0.09 -4.39 0.04 0.00 0.01 0.00 0.00 72.50 68.07 2fki s THR 27 CO 0.01 -0.46 -0.10 -1.10 -0.69 0.00 0.00 174.62 172.28 2fki s GLN 28 N 3.66 2.64 -0.46 4.92 -0.21 -0.92 -1.73 119.66 127.56 2fki s GLN 28 Ca 0.46 -1.09 -0.20 0.00 0.02 0.00 0.00 55.36 54.55 2fki s GLN 28 Cb -0.13 -2.89 0.04 0.00 1.00 0.00 0.00 33.01 31.03 2fki s GLN 28 CO 0.15 -0.44 0.62 0.42 -2.12 0.00 0.00 175.29 173.93 2fki s ILE 29 N 1.24 4.86 0.08 1.08 1.01 -0.67 -2.48 121.20 126.32 2fki s ILE 29 Ca -0.02 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.51 2fki s ILE 29 Cb -0.17 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.04 2fki s ILE 29 CO -0.06 -0.67 -0.10 -1.59 0.00 0.00 0.00 174.94 172.53 2fki s LYS 30 N 2.71 0.78 0.78 2.79 0.00 -1.01 -3.51 119.74 122.27 2fki s LYS 30 Ca 0.19 -1.07 -0.07 0.00 0.00 0.00 0.00 55.97 55.01 2fki s LYS 30 Cb -0.16 -0.49 0.12 0.00 0.00 0.00 0.00 37.83 37.30 2fki s LYS 30 CO 0.16 0.08 1.09 0.08 0.00 0.00 0.00 175.35 176.75 2fki s VAL 31 N -2.21 2.17 0.08 1.79 1.01 0.10 -3.14 120.40 120.20 2fki s VAL 31 Ca 0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 2fki s VAL 31 Cb -0.04 -2.86 0.11 0.00 0.00 0.00 0.00 36.38 33.59 2fki s VAL 31 CO -0.00 0.00 0.53 -0.62 0.00 0.00 0.00 175.10 175.01 2fki n GLU 32 N -3.11 -0.06 0.00 2.72 -0.58 -1.26 -1.59 120.64 116.75 2fki n GLU 32 Ca 0.12 0.52 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 2fki n GLU 32 Cb 0.60 -0.78 0.00 0.00 -0.57 0.00 0.00 31.44 30.69 2fki n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2fki n ASP 33 N -4.52 0.36 -4.20 1.62 2.03 -1.26 -5.03 116.55 105.55 2fki n ASP 33 Ca 0.04 -1.10 -0.39 0.00 0.52 0.00 0.00 54.79 53.86 2fki n ASP 33 Cb 0.15 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.45 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 -0.10 3.94 -0.62 5.18 1.01 -0.62 -5.03 120.40 124.18 2fki s VAL 34 Ca 0.00 -1.79 -0.23 0.00 0.00 0.00 0.00 61.98 59.96 2fki s VAL 34 Cb 0.00 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.85 2fki s VAL 34 CO 0.00 -0.70 0.94 -0.22 0.00 0.00 0.00 175.10 175.12 2fki s LEU 35 N 1.31 4.32 -0.02 3.92 2.96 -1.26 0.00 118.68 129.90 2fki s LEU 35 Ca 0.06 -0.78 0.21 0.00 -0.22 0.00 0.00 54.13 53.40 2fki s LEU 35 Cb -0.25 -2.55 -0.31 0.00 0.50 0.00 0.00 46.19 43.58 2fki s LEU 35 CO -0.01 -1.34 0.52 2.22 -1.32 0.00 0.00 176.35 176.41 2fki n PHE 36 N 7.55 0.00 -3.62 5.38 -1.74 -1.25 -4.79 117.46 119.00 2fki n PHE 36 Ca -0.02 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.75 2fki n PHE 36 Cb 0.46 -0.42 -0.11 0.00 1.52 0.00 0.00 39.48 40.93 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 -3.39 -0.82 -0.05 1.98 0.00 -1.23 -4.14 121.76 114.10 2fki s ALA 37 Ca -0.06 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.04 2fki s ALA 37 Cb 0.14 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 22.05 2fki s ALA 37 CO 0.87 -0.77 -0.13 0.00 0.00 0.00 0.00 175.76 175.73 2fki s MET 38 N 2.50 1.60 -0.20 0.00 0.23 -1.09 -1.67 119.30 120.67 2fki s MET 38 Ca 0.02 -0.43 -0.07 0.00 -1.03 0.00 0.00 55.69 54.17 2fki s MET 38 Cb -0.13 -1.35 -0.04 0.00 -1.53 0.00 0.00 34.83 31.79 2fki s MET 38 CO -0.11 0.08 0.05 0.54 -2.03 0.00 0.00 175.02 173.55 2fki s VAL 39 N 0.47 4.58 -0.22 5.16 0.11 -0.70 -1.25 120.40 128.56 2fki s VAL 39 Ca -0.11 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 2fki s VAL 39 Cb -0.14 -3.08 0.06 0.00 -1.53 0.00 0.00 36.38 31.69 2fki s VAL 39 CO 0.03 0.43 -0.05 -0.54 -3.33 0.00 0.00 175.10 171.65 2fki s LYS 40 N 0.67 1.50 -0.42 1.54 1.02 0.64 -3.29 119.74 121.41 2fki s LYS 40 Ca 0.03 -0.84 -0.29 0.00 0.02 0.00 0.00 55.97 54.88 2fki s LYS 40 Cb -0.13 -2.44 0.02 0.00 -0.52 0.00 0.00 37.83 34.76 2fki s LYS 40 CO 0.02 -0.57 1.19 -2.00 -0.92 0.00 0.00 175.35 173.07 2fki s GLU 41 N 1.49 3.79 -0.33 1.68 2.12 -1.26 -2.61 118.70 123.58 2fki s GLU 41 Ca -0.04 0.81 -0.07 0.00 0.36 0.00 0.00 54.97 56.03 2fki s GLU 41 Cb -0.18 -3.89 0.03 0.00 0.26 0.00 0.00 34.13 30.35 2fki s GLU 41 CO -0.07 -1.29 0.10 0.54 -0.54 0.00 0.00 175.26 174.01 2fki s VAL 42 N 4.46 3.88 -1.39 3.70 0.11 0.12 -4.48 120.40 126.79 2fki s VAL 42 Ca 0.51 -1.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.50 2fki s VAL 42 Cb -0.10 -3.14 0.01 0.00 -1.53 0.00 0.00 36.38 31.61 2fki s VAL 42 CO 0.28 -0.11 0.74 1.21 -3.33 0.00 0.00 175.10 173.89 2fki n GLU 43 N 4.84 -5.50 -1.07 1.54 2.13 -1.26 -1.25 120.64 120.06 2fki n GLU 43 Ca -0.13 0.82 -0.03 0.00 0.66 0.00 0.00 57.16 58.49 2fki n GLU 43 Cb 0.46 -5.60 -0.01 0.00 0.27 0.00 0.00 31.44 26.56 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 -2.36 -3.94 -4.62 4.31 4.05 -1.26 -5.01 115.26 106.42 2fki n ASN 44 Ca -0.07 0.06 -0.35 0.00 0.45 0.00 0.00 54.58 54.67 2fki n ASN 44 Cb 0.59 -1.67 -0.10 0.00 1.23 0.00 0.00 39.78 39.84 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 -1.37 3.96 -0.35 1.20 0.52 -0.38 -5.06 118.95 117.47 2fki s ARG 45 Ca 0.00 -0.34 -0.29 0.00 -0.52 0.00 0.00 55.73 54.59 2fki s ARG 45 Cb 0.00 -3.35 -0.00 0.00 0.52 0.00 0.00 34.95 32.12 2fki s ARG 45 CO 0.00 0.13 1.55 -1.25 0.02 0.00 0.00 175.30 175.75 2fki s PRO 46 N 0.80 3.55 -0.05 3.54 0.04 -1.26 -0.71 135.00 140.91 2fki s PRO 46 Ca 0.05 1.21 0.05 0.00 0.04 0.00 0.00 61.00 62.35 2fki s PRO 46 Cb -0.13 -4.07 -0.01 0.00 0.04 0.00 0.00 34.50 30.33 2fki s PRO 46 CO 0.02 -1.59 -0.22 0.00 0.04 0.00 0.00 177.00 175.25 2fki s ALA 47 N 5.78 1.91 -0.05 8.56 0.00 -1.07 -1.12 121.76 135.77 2fki s ALA 47 Ca 0.68 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.79 2fki s ALA 47 Cb -0.18 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2fki s ALA 47 CO 0.32 0.36 -0.19 0.54 0.00 0.00 0.00 175.76 176.79 2fki s VAL 48 N -0.07 2.62 -0.08 0.00 0.11 -0.44 -0.26 120.40 122.27 2fki s VAL 48 Ca -0.04 -0.88 0.05 0.00 -2.93 0.00 0.00 61.98 58.18 2fki s VAL 48 Cb -0.13 -1.99 -0.00 0.00 -1.53 0.00 0.00 36.38 32.72 2fki s VAL 48 CO 0.03 0.58 -0.24 -0.55 -3.33 0.00 0.00 175.10 171.59 2fki s SER 49 N -0.53 3.05 0.45 3.54 0.15 -0.38 -0.35 113.70 119.64 2fki s SER 49 Ca 0.07 -0.54 0.06 0.00 0.70 0.00 0.00 55.95 56.25 2fki s SER 49 Cb -0.11 -1.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.99 2fki s SER 49 CO 0.01 0.19 0.21 -0.76 1.20 0.00 0.00 173.24 174.09 2fki s LEU 50 N 0.15 2.94 0.86 3.45 1.02 -0.67 -2.68 118.68 123.75 2fki s LEU 50 Ca -0.13 -1.18 -0.12 0.00 0.02 0.00 0.00 54.13 52.72 2fki s LEU 50 Cb -0.16 -1.31 0.10 0.00 0.02 0.00 0.00 46.19 44.84 2fki s LEU 50 CO 0.07 -0.70 1.11 -0.54 0.02 0.00 0.00 176.35 176.31 2fki s LYS 51 N -3.98 1.60 -0.66 1.70 1.02 -1.26 -3.02 119.74 115.13 2fki s LYS 51 Ca 0.35 0.50 -0.26 0.00 0.02 0.00 0.00 55.97 56.58 2fki s LYS 51 Cb 0.02 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 2fki s LYS 51 CO 0.20 -1.93 2.03 0.99 -0.92 0.00 0.00 175.35 175.72 2fki s THR 52 N -3.19 3.28 0.14 2.17 2.01 -1.16 -4.80 115.64 114.08 2fki s THR 52 Ca 0.62 0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.75 2fki s THR 52 Cb -0.15 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2fki s THR 52 CO 0.54 -0.67 -0.18 -0.44 -0.69 0.00 0.00 174.62 173.18 2fki s SER 53 N 9.12 3.87 0.34 3.53 0.01 -1.26 -5.03 113.70 124.28 2fki s SER 53 Ca 0.76 -0.61 0.04 0.00 1.31 0.00 0.00 55.95 57.45 2fki s SER 53 Cb -0.12 -0.53 0.66 0.00 0.21 0.00 0.00 66.02 66.24 2fki s SER 53 CO 0.17 0.16 1.94 -0.65 0.41 0.00 0.00 173.24 175.27 2fki h PRO 54 N 3.54 0.84 -0.55 12.44 0.11 -1.98 -0.30 132.00 146.09 2fki h PRO 54 Ca -0.49 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 2fki h PRO 54 Cb 1.18 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 2fki h PRO 54 CO 0.47 0.55 0.18 0.93 -0.21 0.00 0.00 178.00 179.93 2fki h GLU 55 N 0.86 0.85 -0.50 1.05 3.07 -1.98 -0.26 114.58 117.68 2fki h GLU 55 Ca 0.34 -0.18 -0.06 0.00 -0.50 0.00 0.00 59.36 58.96 2fki h GLU 55 Cb 0.23 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 2fki h GLU 55 CO -0.12 0.77 0.07 -0.07 -1.40 0.00 0.00 179.01 178.27 2fki h LEU 56 N 0.77 0.74 -1.27 1.33 3.38 -1.73 -2.40 115.31 116.13 2fki h LEU 56 Ca 0.18 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2fki h LEU 56 Cb 0.27 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2fki h LEU 56 CO -0.01 0.77 0.19 0.00 0.09 0.00 0.00 178.44 179.47 2fki h ALA 57 N 1.33 1.43 0.14 1.53 0.00 -0.41 -2.19 119.26 121.10 2fki h ALA 57 Ca 0.16 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2fki h ALA 57 Cb 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2fki h ALA 57 CO 0.01 0.44 -0.25 0.93 0.00 0.00 0.00 179.25 180.37 2fki h GLU 58 N 0.68 -0.45 -0.98 0.00 5.08 -0.54 0.83 114.58 119.20 2fki h GLU 58 Ca 0.17 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.64 2fki h GLU 58 Cb 0.15 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 2fki h GLU 58 CO -0.02 -0.30 0.62 -0.07 -1.00 0.00 0.00 179.01 178.25 2fki h LEU 59 N -0.47 0.97 -1.02 1.33 4.07 -1.40 -1.48 115.31 117.31 2fki h LEU 59 Ca 0.02 0.02 -0.10 0.00 0.08 0.00 0.00 57.88 57.91 2fki h LEU 59 Cb 0.48 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 2fki h LEU 59 CO -0.12 0.59 -0.39 0.25 -1.08 0.00 0.00 178.44 177.68 2fki h LEU 60 N 1.09 0.19 -0.35 1.67 5.85 -0.79 0.18 115.31 123.15 2fki h LEU 60 Ca 0.44 -0.08 -0.19 0.00 0.84 0.00 0.00 57.88 58.90 2fki h LEU 60 Cb 0.27 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2fki h LEU 60 CO -0.20 0.57 -0.81 0.03 -0.34 0.00 0.00 178.44 177.69 2fki h ARG 61 N 0.16 0.29 0.06 1.25 2.47 0.15 -3.27 114.38 115.48 2fki h ARG 61 Ca 0.02 -0.27 -0.29 0.00 -1.26 0.00 0.00 59.98 58.17 2fki h ARG 61 Cb 0.77 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.13 2fki h ARG 61 CO 0.06 0.95 -1.58 1.96 0.56 0.00 0.00 179.97 181.92 2fki h GLN 62 N 0.18 0.12 -1.74 0.04 4.20 -1.19 -3.48 115.11 113.24 2fki h GLN 62 Ca -0.04 -0.20 -0.38 0.00 0.06 0.00 0.00 58.65 58.09 2fki h GLN 62 Cb 1.41 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 29.17 2fki h GLN 62 CO 0.13 0.87 -0.41 1.04 -0.67 0.00 0.00 178.83 179.79 2fki n GLN 63 N -3.28 -1.39 -0.84 1.46 6.02 0.62 -4.86 117.38 115.10 2fki n GLN 63 Ca -0.16 1.04 0.07 0.00 -0.01 0.00 0.00 57.00 57.94 2fki n GLN 63 Cb 1.03 -5.45 0.39 0.00 1.02 0.00 0.00 30.24 27.23 2fki n GLN 63 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2fki n HIS 64 N -3.20 1.95 -3.75 1.08 -0.00 -1.25 -4.92 115.22 105.13 2fki n HIS 64 Ca -0.20 -0.74 -0.10 0.00 0.46 0.00 0.00 57.72 57.14 2fki n HIS 64 Cb 0.64 -0.48 -0.06 0.00 -0.12 0.00 0.00 29.99 29.97 2fki n HIS 64 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 2fki s SER 65 N -0.91 -0.06 -0.25 0.26 0.01 -1.26 -4.95 113.70 106.54 2fki s SER 65 Ca 0.53 -0.45 -0.26 0.00 1.31 0.00 0.00 55.95 57.08 2fki s SER 65 Cb 0.41 0.40 0.00 0.00 0.21 0.00 0.00 66.02 67.04 2fki s SER 65 CO 0.16 -0.77 0.92 -0.62 0.41 0.00 0.00 173.24 173.34 2fki s ASP 66 N -2.73 6.92 -0.21 2.44 2.15 -1.26 -4.94 116.67 119.03 2fki s ASP 66 Ca 0.03 1.12 -0.10 0.00 0.43 0.00 0.00 52.55 54.03 2fki s ASP 66 Cb 0.03 -2.48 0.08 0.00 -0.30 0.00 0.00 42.92 40.25 2fki s ASP 66 CO -0.10 -0.61 0.49 0.54 -0.17 0.00 0.00 175.17 175.31 2fki s VAL 67 N 3.05 -0.36 0.03 1.11 0.11 -1.26 -4.37 120.40 118.70 2fki s VAL 67 Ca 0.39 0.09 0.03 0.00 -2.93 0.00 0.00 61.98 59.56 2fki s VAL 67 Cb -0.15 -0.74 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 2fki s VAL 67 CO 0.08 0.04 -0.10 0.00 -3.33 0.00 0.00 175.10 171.79 2fki s ARG 68 N 2.05 0.65 -1.11 1.54 3.03 -0.42 -4.98 118.95 119.71 2fki s ARG 68 Ca -0.06 -0.63 -0.18 0.00 2.03 0.00 0.00 55.73 56.89 2fki s ARG 68 Cb -0.10 -0.56 -0.06 0.00 -1.03 0.00 0.00 34.95 33.20 2fki s ARG 68 CO -0.15 0.13 2.06 -2.30 -1.13 0.00 0.00 175.30 173.91 2fki n PRO 69 N 1.97 2.17 -1.02 3.89 -0.02 -1.26 -0.19 135.00 140.54 2fki n PRO 69 Ca -0.19 -2.25 0.14 0.00 -2.02 0.00 0.00 63.50 59.18 2fki n PRO 69 Cb 0.55 -3.13 -0.03 0.00 -0.02 0.00 0.00 33.50 30.87 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 7.09 -7.89 0.00 2.55 7.64 -1.25 -4.57 113.62 117.19 2fki n SER 70 Ca 0.51 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.49 2fki n SER 70 Cb 0.40 -3.09 0.00 0.00 -1.01 0.00 0.00 64.21 60.51 2fki n SER 70 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2fki n ARG 71 N -3.60 0.00 0.02 1.43 5.12 -1.26 -4.92 116.66 113.46 2fki n ARG 71 Ca 0.01 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.04 2fki n ARG 71 Cb 0.47 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.74 2fki n ARG 71 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2fki n HIS 72 N -1.90 0.25 0.00 -1.55 -0.00 -1.26 -4.61 115.22 106.15 2fki n HIS 72 Ca 0.00 0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2fki n HIS 72 Cb 0.00 -0.44 0.00 0.00 -0.12 0.00 0.00 29.99 29.43 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 -2.02 0.08 -3.77 0.27 4.32 -1.26 -4.99 117.00 109.63 2fki n LEU 73 Ca 0.01 0.78 -0.08 0.00 -0.02 0.00 0.00 56.01 56.70 2fki n LEU 73 Cb 0.46 -0.31 -0.02 0.00 -1.62 0.00 0.00 43.42 41.92 2fki n LEU 73 CO 0.41 -0.31 0.47 0.21 -1.22 0.00 0.00 177.39 176.95 2fki s ASN 74 N -2.02 -0.32 0.19 -1.43 2.47 -1.26 -5.05 114.94 107.52 2fki s ASN 74 Ca 0.00 -0.48 0.11 0.00 0.42 0.00 0.00 52.86 52.91 2fki s ASN 74 Cb 0.00 0.69 -0.09 0.00 -1.45 0.00 0.00 41.25 40.40 2fki s ASN 74 CO 0.00 -1.25 1.33 0.50 -3.72 0.00 0.00 177.10 173.96 2fki h LYS 75 N 2.00 0.00 -4.80 0.43 3.11 -1.91 -3.40 116.57 112.00 2fki h LYS 75 Ca -0.22 0.00 -0.42 0.00 -2.81 0.00 0.00 60.65 57.20 2fki h LYS 75 Cb 1.26 0.00 -0.13 0.00 -1.00 0.00 0.00 32.23 32.36 2fki h LYS 75 CO 0.26 0.75 -0.49 0.00 -2.81 0.00 0.00 179.45 177.16 2fki s ALA 76 N -2.82 1.68 0.00 5.00 0.00 -1.26 -4.80 121.76 119.55 2fki s ALA 76 Ca 0.02 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 50.00 2fki s ALA 76 Cb 0.09 1.45 0.00 0.00 0.00 0.00 0.00 23.12 24.65 2fki s ALA 76 CO 0.79 -0.66 0.00 1.58 0.00 0.00 0.00 175.76 177.47 2fki n HIS 77 N -0.56 0.00 -3.10 0.00 -0.00 -1.26 -4.88 115.22 105.42 2fki n HIS 77 Ca 0.06 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.85 2fki n HIS 77 Cb 0.63 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.45 2fki n HIS 77 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2fki s TRP 78 N 0.00 3.69 -0.10 1.57 0.52 -1.26 -3.00 118.94 120.35 2fki s TRP 78 Ca 0.00 1.31 0.02 0.00 0.02 0.00 0.00 56.10 57.45 2fki s TRP 78 Cb 0.00 -2.72 0.01 0.00 -1.15 0.00 0.00 33.47 29.62 2fki s TRP 78 CO 0.00 0.28 -0.15 -1.12 0.02 0.00 0.00 176.95 175.98 2fki s SER 79 N 0.01 2.36 -0.15 2.95 0.01 -1.17 -3.80 113.70 113.91 2fki s SER 79 Ca 0.35 -0.41 -0.02 0.00 1.31 0.00 0.00 55.95 57.18 2fki s SER 79 Cb -0.19 -1.06 -0.02 0.00 0.21 0.00 0.00 66.02 64.96 2fki s SER 79 CO 0.19 0.02 -0.08 -0.89 0.41 0.00 0.00 173.24 172.90 2fki s THR 80 N 0.91 3.45 -0.15 1.44 2.01 0.74 -1.67 115.64 122.37 2fki s THR 80 Ca -0.09 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 2fki s THR 80 Cb -0.15 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 2fki s THR 80 CO -0.00 0.51 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.67 2fki s VAL 81 N 0.41 3.50 -0.34 3.82 1.01 0.52 -1.31 120.40 128.02 2fki s VAL 81 Ca -0.07 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.22 2fki s VAL 81 Cb -0.15 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 2fki s VAL 81 CO 0.04 0.50 0.58 -0.31 0.00 0.00 0.00 175.10 175.91 2fki s TYR 82 N 0.47 3.18 -1.32 5.22 1.51 -1.26 -1.33 117.35 123.82 2fki s TYR 82 Ca -0.06 0.36 -0.17 0.00 -1.01 0.00 0.00 57.07 56.20 2fki s TYR 82 Cb -0.15 -3.01 0.08 0.00 -0.11 0.00 0.00 41.96 38.77 2fki s TYR 82 CO 0.04 -0.54 1.80 1.28 -1.11 0.00 0.00 175.55 177.02 2fki n LEU 83 N 5.87 5.38 0.00 -1.29 4.77 -0.28 -4.13 117.00 127.33 2fki n LEU 83 Ca -0.03 -4.04 0.00 0.00 -0.03 0.00 0.00 56.01 51.91 2fki n LEU 83 Cb 0.49 -1.71 0.00 0.00 -2.33 0.00 0.00 43.42 39.87 2fki n LEU 83 CO 0.46 0.43 -0.32 -0.67 -1.33 0.00 0.00 177.39 175.96 2fki n ASP 84 N 7.54 3.23 -0.07 -1.43 2.03 -1.26 -4.65 116.55 121.94 2fki n ASP 84 Ca 0.48 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.79 2fki n ASP 84 Cb 0.44 0.33 0.00 0.00 -0.72 0.00 0.00 41.12 41.17 2fki n ASP 84 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2fki n GLY 85 N 2.10 1.77 5.00 0.27 0.00 -1.26 -5.04 105.19 108.03 2fki n GLY 85 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.03 0.00 -4.65 1.61 2.88 -1.26 -4.81 113.62 107.36 2fki n SER 86 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2fki n SER 86 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2fki n SER 86 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2fki s LEU 87 N 0.00 4.12 0.00 2.46 2.01 -1.26 -5.02 118.68 120.99 2fki s LEU 87 Ca 0.00 0.38 -0.16 0.00 0.01 0.00 0.00 54.13 54.37 2fki s LEU 87 Cb 0.00 -2.41 0.22 0.00 0.01 0.00 0.00 46.19 44.01 2fki s LEU 87 CO 0.00 -0.07 1.04 -0.81 1.01 0.00 0.00 176.35 177.53 2fki n PRO 88 N 4.61 -1.83 -0.15 1.29 -0.04 -1.26 -4.90 135.00 132.72 2fki n PRO 88 Ca -0.10 -1.63 0.03 0.00 -0.04 0.00 0.00 63.50 61.76 2fki n PRO 88 Cb 0.51 -1.26 0.32 0.00 -0.04 0.00 0.00 33.50 33.03 2fki n PRO 88 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2fki h ASP 89 N -1.90 0.71 -0.37 3.54 2.03 -1.98 -2.50 116.42 115.95 2fki h ASP 89 Ca -0.36 -0.01 -0.12 0.00 -0.73 0.00 0.00 57.03 55.81 2fki h ASP 89 Cb 1.03 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.34 2fki h ASP 89 CO 0.25 0.50 -0.20 0.77 -1.03 0.00 0.00 179.24 179.53 2fki h SER 90 N 0.83 0.87 0.09 4.15 4.64 -2.01 -2.95 113.55 119.17 2fki h SER 90 Ca 0.25 -0.31 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 2fki h SER 90 Cb -0.02 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 2fki h SER 90 CO -0.06 1.04 -0.20 1.56 -0.87 0.00 0.00 176.83 178.30 2fki h GLN 91 N 0.75 0.22 -0.52 4.77 1.08 -1.81 -2.73 115.11 116.87 2fki h GLN 91 Ca 0.11 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2fki h GLN 91 Cb 0.73 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.11 2fki h GLN 91 CO 0.06 0.42 0.33 0.82 -0.95 0.00 0.00 178.83 179.51 2fki h ILE 92 N 0.20 1.11 -0.49 2.54 2.04 -1.45 -2.34 117.51 119.12 2fki h ILE 92 Ca 0.04 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 2fki h ILE 92 Cb 0.48 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2fki h ILE 92 CO 0.03 0.12 0.10 1.88 0.00 0.00 0.00 178.15 180.29 2fki h TYR 93 N 0.68 0.77 -0.80 1.37 0.05 -1.54 -2.22 116.97 115.27 2fki h TYR 93 Ca 0.20 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.93 2fki h TYR 93 Cb -0.05 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.42 2fki h TYR 93 CO -0.05 0.66 0.52 -0.92 -1.05 0.00 0.00 178.16 177.32 2fki h TYR 94 N 0.72 0.98 -0.08 4.88 3.20 -1.31 -1.01 116.97 124.35 2fki h TYR 94 Ca 0.16 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.89 2fki h TYR 94 Cb 0.29 -0.33 0.01 0.00 1.54 0.00 0.00 36.73 38.25 2fki h TYR 94 CO 0.02 0.59 -0.57 -0.07 -1.64 0.00 0.00 178.16 176.48 2fki h LEU 95 N 1.04 0.64 -0.19 2.82 3.38 -1.20 -2.90 115.31 118.90 2fki h LEU 95 Ca 0.30 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2fki h LEU 95 Cb -0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2fki h LEU 95 CO -0.09 1.21 0.07 0.58 0.09 0.00 0.00 178.44 180.31 2fki h VAL 96 N 0.11 1.16 -0.58 1.22 2.07 -1.22 -2.38 116.25 116.65 2fki h VAL 96 Ca -0.05 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 2fki h VAL 96 Cb 1.23 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 2fki h VAL 96 CO 0.12 0.16 0.02 -0.78 0.02 0.00 0.00 177.57 177.10 2fki h ASP 97 N 0.15 0.95 -0.57 0.57 3.58 -1.29 -1.72 116.42 118.09 2fki h ASP 97 Ca 0.06 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 2fki h ASP 97 Cb 0.18 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 2fki h ASP 97 CO -0.01 0.99 0.29 0.00 -2.88 0.00 0.00 179.24 177.64 2fki h ALA 98 N 1.11 0.74 -0.11 -0.78 0.00 -1.40 0.14 119.26 118.95 2fki h ALA 98 Ca 0.17 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2fki h ALA 98 Cb 0.50 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2fki h ALA 98 CO 0.02 0.29 -0.32 1.03 0.00 0.00 0.00 179.25 180.27 2fki h SER 99 N 0.78 0.22 -0.30 0.00 0.87 -1.18 -2.19 113.55 111.74 2fki h SER 99 Ca 0.20 -0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.55 2fki h SER 99 Cb 0.10 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2fki h SER 99 CO -0.03 0.54 -0.35 0.22 -0.53 0.00 0.00 176.83 176.68 2fki h TYR 100 N 0.19 0.93 -0.08 2.24 3.20 -0.69 -2.63 116.97 120.13 2fki h TYR 100 Ca 0.03 -0.29 -0.00 0.00 3.14 0.00 0.00 58.73 61.60 2fki h TYR 100 Cb 0.67 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 2fki h TYR 100 CO 0.01 1.07 0.05 1.96 -1.64 0.00 0.00 178.16 179.61 2fki h GLN 101 N 0.53 0.11 -0.81 1.82 1.08 -0.35 -1.99 115.11 115.50 2fki h GLN 101 Ca 0.04 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 2fki h GLN 101 Cb 0.93 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.30 2fki h GLN 101 CO 0.08 0.11 0.34 -0.56 -0.95 0.00 0.00 178.83 177.85 2fki h GLN 102 N 0.08 1.20 -0.51 1.46 3.07 -1.47 -2.66 115.11 116.27 2fki h GLN 102 Ca 0.03 -0.21 0.03 0.00 0.09 0.00 0.00 58.65 58.60 2fki h GLN 102 Cb 0.03 -0.20 -0.04 0.00 0.08 0.00 0.00 27.48 27.35 2fki h GLN 102 CO -0.01 0.96 0.28 0.00 0.09 0.00 0.00 178.83 180.15 2fki h ALA 103 N 1.18 0.65 -0.74 0.06 0.00 -1.14 -0.20 119.26 119.08 2fki h ALA 103 Ca 0.27 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2fki h ALA 103 Cb 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2fki h ALA 103 CO -0.03 -0.04 0.25 0.28 0.00 0.00 0.00 179.25 179.71 2fki h VAL 104 N 0.55 1.26 0.00 0.00 2.07 -1.17 -2.48 116.25 116.49 2fki h VAL 104 Ca 0.22 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2fki h VAL 104 Cb 0.08 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2fki h VAL 104 CO -0.13 0.35 0.00 0.78 0.02 0.00 0.00 177.57 178.59 2fki h ASN 105 N 1.09 0.00 0.15 0.57 2.35 -1.07 -2.74 115.58 115.93 2fki h ASN 105 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2fki h ASN 105 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2fki h ASN 105 CO -0.01 0.00 -0.33 0.18 -1.65 0.00 0.00 177.43 175.62 2fki n LEU 106 N -2.48 1.36 -4.81 1.61 4.77 -0.14 -4.93 117.00 112.39 2fki n LEU 106 Ca 0.04 -0.43 -0.33 0.00 -0.03 0.00 0.00 56.01 55.26 2fki n LEU 106 Cb 0.40 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 2fki n LEU 106 CO 0.29 0.25 0.71 -0.76 -1.33 0.00 0.00 177.39 176.55 2fki s LEU 107 N -2.49 3.67 0.74 2.23 1.43 -0.97 -5.04 118.68 118.25 2fki s LEU 107 Ca 0.22 1.81 -0.15 0.00 -1.03 0.00 0.00 54.13 54.99 2fki s LEU 107 Cb 0.19 -4.54 0.04 0.00 0.03 0.00 0.00 46.19 41.91 2fki s LEU 107 CO 0.54 -0.88 1.20 -2.84 0.23 0.00 0.00 176.35 174.60 2fki s PRO 108 N -3.71 2.10 0.22 1.29 0.02 -1.26 -4.61 135.00 129.05 2fki s PRO 108 Ca 0.64 1.75 -0.08 0.00 0.02 0.00 0.00 61.00 63.33 2fki s PRO 108 Cb -0.15 -1.83 0.33 0.00 0.02 0.00 0.00 34.50 32.87 2fki s PRO 108 CO 0.28 -1.86 1.74 1.49 -0.33 0.00 0.00 177.00 178.32 2fki h GLU 109 N -0.36 0.42 -0.44 5.54 4.57 -1.97 0.48 114.58 122.84 2fki h GLU 109 Ca -0.47 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 57.74 2fki h GLU 109 Cb 1.29 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.74 2fki h GLU 109 CO 0.49 0.28 0.14 1.49 -1.18 0.00 0.00 179.01 180.23 2fki h GLU 110 N 0.44 0.28 -0.16 1.92 4.22 -1.99 0.20 114.58 119.48 2fki h GLU 110 Ca 0.34 -0.02 -0.15 0.00 0.08 0.00 0.00 59.36 59.61 2fki h GLU 110 Cb 0.44 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2fki h GLU 110 CO -0.33 0.19 -0.47 -0.22 -2.18 0.00 0.00 179.01 176.00 2fki h LYS 111 N 0.29 0.60 -0.22 1.92 1.63 -1.47 -3.01 116.57 116.31 2fki h LYS 111 Ca 0.21 -0.43 0.00 0.00 -0.85 0.00 0.00 60.65 59.58 2fki h LYS 111 Cb 0.22 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 2fki h LYS 111 CO -0.23 1.05 0.14 -0.09 -3.45 0.00 0.00 179.45 176.88 2fki h ARG 112 N 0.26 0.30 -0.10 1.90 1.12 0.21 -2.55 114.38 115.52 2fki h ARG 112 Ca -0.01 -0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 58.79 2fki h ARG 112 Cb 1.09 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.98 2fki h ARG 112 CO 0.10 0.21 -0.13 0.87 -3.11 0.00 0.00 179.97 177.92 2fki h LYS 113 N 0.29 0.15 -0.13 0.20 1.79 -0.67 -2.13 116.57 116.07 2fki h LYS 113 Ca 0.08 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2fki h LYS 113 Cb -0.01 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 2fki h LYS 113 CO -0.02 0.29 0.06 -0.07 -1.08 0.00 0.00 179.45 178.63 2fki h LEU 114 N 0.15 0.10 -1.16 2.94 3.38 -1.31 0.81 115.31 120.20 2fki h LEU 114 Ca 0.03 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2fki h LEU 114 Cb 0.32 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2fki h LEU 114 CO 0.02 0.08 -0.34 -0.07 0.09 0.00 0.00 178.44 178.22 2fki h LEU 115 N 0.14 0.00 -0.05 1.67 3.38 -1.30 -2.31 115.31 116.84 2fki h LEU 115 Ca 0.05 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.77 2fki h LEU 115 Cb 0.01 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 2fki h LEU 115 CO -0.04 0.34 -1.03 0.58 0.09 0.00 0.00 178.44 178.38 2fki h VAL 116 N 0.00 1.32 0.00 1.22 2.07 -0.98 -3.27 116.25 116.61 2fki h VAL 116 Ca -0.00 -2.35 -0.10 0.00 0.82 0.00 0.00 66.70 65.07 2fki h VAL 116 Cb 0.76 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 2fki h VAL 116 CO 0.04 0.72 -0.46 1.56 0.02 0.00 0.00 177.57 179.45 2fki h GLN 117 N 0.32 0.00 0.00 1.57 4.20 -0.59 -3.51 115.11 117.10 2fki h GLN 117 Ca -0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2fki h GLN 117 Cb 1.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.46 2fki h GLN 117 CO 0.19 0.46 0.00 1.28 -0.67 0.00 0.00 178.83 180.09