#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 4.38 0.40 1.12 -4.23 -1.26 -4.96 115.64 111.10 2fki s THR 2 Ca 0.00 1.55 0.18 0.00 -1.18 0.00 0.00 61.69 62.23 2fki s THR 2 Cb 0.00 -3.89 0.19 0.00 1.34 0.00 0.00 72.50 70.14 2fki s THR 2 CO 0.00 0.09 1.96 0.40 -0.54 0.00 0.00 174.62 176.52 2fki h ILE 3 N 2.53 0.99 -0.94 2.99 1.08 -2.03 -2.34 117.51 119.79 2fki h ILE 3 Ca -0.47 -0.83 0.06 0.00 -0.39 0.00 0.00 64.86 63.23 2fki h ILE 3 Cb 1.19 1.47 -0.06 0.00 -3.07 0.00 0.00 36.82 36.34 2fki h ILE 3 CO 0.65 0.22 0.60 -1.28 -0.69 0.00 0.00 178.15 177.65 2fki h SER 4 N 0.00 0.96 -0.56 1.72 0.87 -1.99 0.14 113.55 114.70 2fki h SER 4 Ca -0.00 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 2fki h SER 4 Cb 0.45 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 2fki h SER 4 CO 0.03 0.62 -0.09 -0.33 -0.53 0.00 0.00 176.83 176.53 2fki h GLU 5 N 1.11 1.05 -0.20 2.24 4.39 -1.82 -1.17 114.58 120.17 2fki h GLU 5 Ca 0.40 -0.38 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2fki h GLU 5 Cb 0.14 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2fki h GLU 5 CO -0.17 1.08 0.07 1.25 -1.16 0.00 0.00 179.01 180.08 2fki h LEU 6 N 0.94 0.30 -0.61 1.33 6.46 -1.30 -1.08 115.31 121.34 2fki h LEU 6 Ca 0.15 -0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 2fki h LEU 6 Cb 0.67 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.49 2fki h LEU 6 CO 0.05 0.41 0.40 -0.07 -0.62 0.00 0.00 178.44 178.61 2fki h LEU 7 N 0.16 0.71 -1.01 2.25 3.38 -0.62 -1.72 115.31 118.46 2fki h LEU 7 Ca 0.07 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2fki h LEU 7 Cb 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2fki h LEU 7 CO -0.00 0.53 -0.19 -0.61 0.09 0.00 0.00 178.44 178.25 2fki h GLN 8 N 0.83 0.48 -0.18 1.13 4.15 -1.10 -1.26 115.11 119.17 2fki h GLN 8 Ca 0.22 -0.16 -0.06 0.00 0.77 0.00 0.00 58.65 59.42 2fki h GLN 8 Cb -0.07 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 2fki h GLN 8 CO -0.05 0.66 -0.14 -0.92 -1.93 0.00 0.00 178.83 176.45 2fki h TYR 9 N 0.44 0.30 -0.20 3.99 3.20 -0.64 -1.62 116.97 122.44 2fki h TYR 9 Ca 0.07 -0.04 -0.21 0.00 3.14 0.00 0.00 58.73 61.70 2fki h TYR 9 Cb 0.59 -0.08 0.01 0.00 1.54 0.00 0.00 36.73 38.78 2fki h TYR 9 CO 0.02 0.43 -0.68 0.00 -1.64 0.00 0.00 178.16 176.28 2fki h MET 11 N 0.58 0.00 0.00 0.00 2.86 -0.78 -1.26 114.93 116.33 2fki h MET 11 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2fki h MET 11 Cb 1.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.97 2fki h MET 11 CO 0.14 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.12 2fki n ALA 12 N -2.09 2.33 -2.55 6.32 0.00 -0.65 -4.64 120.51 119.23 2fki n ALA 12 Ca -0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 2fki n ALA 12 Cb 0.24 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.71 3.57 -0.40 0.00 -0.14 -0.48 -5.01 119.74 114.57 2fki s LYS 13 Ca 0.22 -0.22 -0.27 0.00 -1.36 0.00 0.00 55.97 54.33 2fki s LYS 13 Cb 0.18 -3.83 -0.04 0.00 -1.68 0.00 0.00 37.83 32.47 2fki s LYS 13 CO 0.44 -0.67 2.02 -1.25 -0.76 0.00 0.00 175.35 175.14 2fki s PRO 14 N 2.38 2.90 0.00 -1.68 0.04 -1.26 -2.24 135.00 135.13 2fki s PRO 14 Ca 0.18 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2fki s PRO 14 Cb -0.16 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2fki s PRO 14 CO 0.13 -2.38 0.00 0.41 0.04 0.00 0.00 177.00 175.21 2fki n GLY 15 N 5.67 1.63 3.72 0.56 0.00 -1.26 -4.84 105.19 110.67 2fki n GLY 15 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.17 3.68 -0.14 4.61 0.00 -0.95 -4.35 121.76 123.44 2fki s ALA 16 Ca 0.00 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.23 2fki s ALA 16 Cb 0.00 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.55 2fki s ALA 16 CO 0.00 -0.69 -0.22 -2.00 0.00 0.00 0.00 175.76 172.85 2fki s GLU 17 N 1.10 3.00 -0.25 0.00 -6.30 0.15 -4.94 118.70 111.47 2fki s GLU 17 Ca 0.67 -0.85 -0.07 0.00 -2.50 0.00 0.00 54.97 52.22 2fki s GLU 17 Cb -0.40 -2.43 -0.03 0.00 0.00 0.00 0.00 34.13 31.26 2fki s GLU 17 CO 0.31 -0.03 0.07 -0.65 0.02 0.00 0.00 175.26 174.98 2fki s GLN 18 N 0.85 3.67 -0.19 4.30 -0.21 -1.26 -0.41 119.66 126.41 2fki s GLN 18 Ca -0.06 -0.47 0.01 0.00 0.02 0.00 0.00 55.36 54.86 2fki s GLN 18 Cb -0.15 -3.32 0.03 0.00 1.00 0.00 0.00 33.01 30.57 2fki s GLN 18 CO -0.03 -0.16 -0.15 -1.12 -2.12 0.00 0.00 175.29 171.71 2fki s SER 19 N 1.54 3.32 0.03 5.90 0.01 0.09 -4.95 113.70 119.64 2fki s SER 19 Ca 0.06 -0.80 -0.28 0.00 1.31 0.00 0.00 55.95 56.24 2fki s SER 19 Cb -0.15 -1.38 -0.04 0.00 0.21 0.00 0.00 66.02 64.66 2fki s SER 19 CO 0.04 -0.07 0.89 0.54 0.41 0.00 0.00 173.24 175.04 2fki s VAL 20 N 1.32 4.77 -0.31 3.43 0.11 -1.26 -0.32 120.40 128.14 2fki s VAL 20 Ca 0.01 1.88 -0.19 0.00 -2.93 0.00 0.00 61.98 60.76 2fki s VAL 20 Cb -0.15 -4.24 -0.01 0.00 -1.53 0.00 0.00 36.38 30.45 2fki s VAL 20 CO -0.10 0.26 0.55 -1.00 -3.33 0.00 0.00 175.10 171.48 2fki s HIS 21 N 0.49 3.22 0.50 1.54 3.76 0.38 -4.95 115.29 120.23 2fki s HIS 21 Ca 0.46 0.47 0.16 0.00 -0.15 0.00 0.00 55.06 55.99 2fki s HIS 21 Cb -0.21 -2.88 1.22 0.00 1.11 0.00 0.00 32.58 31.81 2fki s HIS 21 CO 0.26 -0.43 2.11 -0.97 -0.85 0.00 0.00 174.74 174.86 2fki h ASN 22 N 8.23 0.00 0.40 1.40 -1.24 -1.96 0.57 115.58 122.98 2fki h ASN 22 Ca -0.28 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.73 2fki h ASN 22 Cb 1.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.18 2fki h ASN 22 CO 0.76 0.05 -0.01 -0.90 -1.29 0.00 0.00 177.43 176.04 2fki n ASP 23 N -4.47 0.04 0.00 1.15 5.75 -1.26 -3.50 116.55 114.27 2fki n ASP 23 Ca -0.03 -0.40 0.00 0.00 -0.01 0.00 0.00 54.79 54.35 2fki n ASP 23 Cb 0.13 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 2fki n ASP 23 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2fki n TRP 24 N -1.18 0.00 -2.31 2.11 7.02 -0.57 -5.01 117.44 117.50 2fki n TRP 24 Ca 0.17 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.45 2fki n TRP 24 Cb 0.21 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.08 2fki n TRP 24 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2fki n LYS 25 N -0.63 -1.60 -4.35 -0.99 4.76 0.19 -4.78 118.16 110.75 2fki n LYS 25 Ca 0.00 1.01 -0.26 0.00 -2.87 0.00 0.00 58.31 56.19 2fki n LYS 25 Cb 0.00 -5.61 -0.12 0.00 -1.84 0.00 0.00 35.03 27.45 2fki n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2fki s ALA 26 N -2.99 2.13 -0.30 7.82 0.00 -1.19 -4.89 121.76 122.34 2fki s ALA 26 Ca 0.00 -1.42 -0.13 0.00 0.00 0.00 0.00 51.96 50.41 2fki s ALA 26 Cb 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 2fki s ALA 26 CO 0.00 0.40 0.27 0.99 0.00 0.00 0.00 175.76 177.43 2fki s THR 27 N -1.37 5.25 -0.21 0.00 2.01 -0.82 -0.47 115.64 120.03 2fki s THR 27 Ca 0.13 0.17 -0.10 0.00 0.31 0.00 0.00 61.69 62.19 2fki s THR 27 Cb -0.09 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 2fki s THR 27 CO 0.06 0.12 0.14 -1.10 -0.69 0.00 0.00 174.62 173.14 2fki s GLN 28 N 1.87 4.15 -0.30 4.92 -0.21 0.57 -1.48 119.66 129.18 2fki s GLN 28 Ca 0.10 -0.24 -0.09 0.00 0.02 0.00 0.00 55.36 55.15 2fki s GLN 28 Cb -0.16 -3.45 -0.01 0.00 1.00 0.00 0.00 33.01 30.39 2fki s GLN 28 CO 0.11 0.24 0.14 0.42 -2.12 0.00 0.00 175.29 174.08 2fki s ILE 29 N 0.54 4.62 0.40 1.08 1.01 -0.62 -0.73 121.20 127.50 2fki s ILE 29 Ca 0.08 -0.34 0.07 0.00 0.00 0.00 0.00 60.65 60.46 2fki s ILE 29 Cb -0.12 -3.32 -0.08 0.00 0.01 0.00 0.00 42.46 38.96 2fki s ILE 29 CO -0.00 0.12 0.01 -1.59 0.00 0.00 0.00 174.94 173.47 2fki s LYS 30 N 1.63 1.92 0.00 2.79 -2.85 0.45 -3.39 119.74 120.28 2fki s LYS 30 Ca 0.05 -2.08 0.00 0.00 -1.00 0.00 0.00 55.97 52.94 2fki s LYS 30 Cb -0.17 -1.57 0.00 0.00 -2.06 0.00 0.00 37.83 34.04 2fki s LYS 30 CO 0.06 -0.05 0.00 0.28 0.10 0.00 0.00 175.35 175.74 2fki n VAL 31 N -0.93 0.00 -0.31 1.79 0.31 0.26 0.29 118.33 119.74 2fki n VAL 31 Ca -0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.26 2fki n VAL 31 Cb 0.67 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.70 2fki n VAL 31 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2fki h GLU 32 N 0.00 1.03 0.00 5.55 -0.00 -1.97 -3.38 114.58 115.81 2fki h GLU 32 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 59.36 59.30 2fki h GLU 32 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 28.75 28.52 2fki h GLU 32 CO 0.00 0.68 0.00 -3.47 -0.00 0.00 0.00 179.01 176.22 2fki n ASP 33 N -4.55 0.00 -4.65 3.06 2.03 -1.26 -5.10 116.55 106.08 2fki n ASP 33 Ca 0.10 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.98 2fki n ASP 33 Cb 0.07 0.00 -0.02 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 0.00 3.98 -0.40 5.18 1.01 -1.26 -4.98 120.40 123.93 2fki s VAL 34 Ca 0.00 1.15 -0.20 0.00 0.00 0.00 0.00 61.98 62.93 2fki s VAL 34 Cb 0.00 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.55 2fki s VAL 34 CO 0.00 -0.21 0.64 -0.22 0.00 0.00 0.00 175.10 175.31 2fki s LEU 35 N 4.14 4.37 -0.26 3.92 2.96 -1.26 -0.58 118.68 131.97 2fki s LEU 35 Ca 0.63 -0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 54.37 2fki s LEU 35 Cb -0.24 -2.75 -0.14 0.00 0.50 0.00 0.00 46.19 43.56 2fki s LEU 35 CO 0.22 -0.68 -0.29 2.22 -1.32 0.00 0.00 176.35 176.50 2fki n PHE 36 N 6.15 0.00 -3.85 5.38 -1.74 -1.22 -5.04 117.46 117.14 2fki n PHE 36 Ca -0.02 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.78 2fki n PHE 36 Cb 0.48 -0.97 -0.06 0.00 1.52 0.00 0.00 39.48 40.45 2fki n PHE 36 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2fki s ALA 37 N -2.50 -0.32 -0.24 1.98 0.00 -1.24 -3.84 121.76 115.60 2fki s ALA 37 Ca -0.36 -0.60 -0.14 0.00 0.00 0.00 0.00 51.96 50.86 2fki s ALA 37 Cb 0.12 0.73 0.07 0.00 0.00 0.00 0.00 23.12 24.04 2fki s ALA 37 CO 0.53 -0.63 0.58 0.00 0.00 0.00 0.00 175.76 176.24 2fki s MET 38 N -3.90 0.60 -0.31 0.00 0.23 -0.33 -1.58 119.30 114.00 2fki s MET 38 Ca 0.10 1.04 -0.20 0.00 -1.03 0.00 0.00 55.69 55.60 2fki s MET 38 Cb 0.03 0.10 -0.01 0.00 -1.53 0.00 0.00 34.83 33.42 2fki s MET 38 CO -0.05 -0.15 0.63 0.54 -2.03 0.00 0.00 175.02 173.96 2fki s VAL 39 N 1.44 4.93 -0.16 5.16 0.11 -0.55 0.48 120.40 131.81 2fki s VAL 39 Ca -0.09 0.80 -0.04 0.00 -2.93 0.00 0.00 61.98 59.72 2fki s VAL 39 Cb -0.06 -4.01 0.06 0.00 -1.53 0.00 0.00 36.38 30.83 2fki s VAL 39 CO -0.16 -0.17 0.08 -0.54 -3.33 0.00 0.00 175.10 170.98 2fki s LYS 40 N 2.63 0.16 -0.36 1.54 1.02 -0.64 -1.94 119.74 122.16 2fki s LYS 40 Ca 0.25 -0.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.86 2fki s LYS 40 Cb -0.15 -1.73 0.01 0.00 -0.52 0.00 0.00 37.83 35.44 2fki s LYS 40 CO 0.12 -0.62 1.34 -1.21 -0.92 0.00 0.00 175.35 174.06 2fki s GLU 41 N 2.09 3.76 -0.14 1.68 8.01 -1.26 -4.39 118.70 128.46 2fki s GLU 41 Ca 0.02 1.08 -0.03 0.00 0.01 0.00 0.00 54.97 56.04 2fki s GLU 41 Cb -0.16 -3.94 -0.03 0.00 -4.31 0.00 0.00 34.13 25.69 2fki s GLU 41 CO -0.08 -1.32 -0.03 0.54 0.01 0.00 0.00 175.26 174.38 2fki s VAL 42 N 4.81 3.97 -1.20 2.63 0.11 -1.20 -4.38 120.40 125.13 2fki s VAL 42 Ca 0.58 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 2fki s VAL 42 Cb -0.15 -2.72 0.00 0.00 -1.53 0.00 0.00 36.38 31.98 2fki s VAL 42 CO 0.28 0.51 0.00 1.21 -3.33 0.00 0.00 175.10 173.77 2fki n GLU 43 N 3.25 -0.88 -2.31 1.54 2.13 -1.26 -1.49 120.64 121.62 2fki n GLU 43 Ca -0.17 0.81 -0.19 0.00 0.66 0.00 0.00 57.16 58.26 2fki n GLU 43 Cb 0.53 -4.88 -0.02 0.00 0.27 0.00 0.00 31.44 27.34 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 -0.07 -5.58 -4.21 4.31 5.15 -1.26 -4.98 115.26 108.62 2fki n ASN 44 Ca -0.13 0.02 -0.35 0.00 -0.60 0.00 0.00 54.58 53.52 2fki n ASN 44 Cb 0.47 -4.63 -0.14 0.00 -0.53 0.00 0.00 39.78 34.95 2fki n ASN 44 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2fki s ARG 45 N -4.87 2.78 -0.05 1.20 6.06 -0.56 -5.07 118.95 118.44 2fki s ARG 45 Ca 0.00 -1.02 -0.35 0.00 -2.50 0.00 0.00 55.73 51.86 2fki s ARG 45 Cb 0.00 -3.08 -0.13 0.00 0.06 0.00 0.00 34.95 31.80 2fki s ARG 45 CO 0.00 -0.45 1.78 -2.30 -2.50 0.00 0.00 175.30 171.83 2fki n PRO 46 N 4.69 2.01 -3.62 5.12 -0.02 -1.26 -3.24 135.00 138.67 2fki n PRO 46 Ca -0.15 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 61.93 2fki n PRO 46 Cb 0.46 -2.54 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 2fki n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fki s ALA 47 N 3.21 -1.86 -0.08 3.55 0.00 -1.26 -0.79 121.76 124.53 2fki s ALA 47 Ca 0.90 1.89 0.02 0.00 0.00 0.00 0.00 51.96 54.77 2fki s ALA 47 Cb -0.75 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.22 2fki s ALA 47 CO 0.50 -0.30 -0.15 0.54 0.00 0.00 0.00 175.76 176.34 2fki s VAL 48 N 0.10 2.90 -0.31 0.00 0.11 -0.24 -1.62 120.40 121.35 2fki s VAL 48 Ca 0.00 -0.75 -0.11 0.00 -2.93 0.00 0.00 61.98 58.19 2fki s VAL 48 Cb -0.04 -2.16 -0.01 0.00 -1.53 0.00 0.00 36.38 32.63 2fki s VAL 48 CO -0.01 0.56 0.18 -0.44 -3.33 0.00 0.00 175.10 172.06 2fki s SER 49 N -0.21 5.71 0.34 3.54 0.01 0.18 -0.10 113.70 123.18 2fki s SER 49 Ca -0.00 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 56.89 2fki s SER 49 Cb -0.13 -2.05 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 2fki s SER 49 CO 0.03 -0.19 0.38 -0.76 0.41 0.00 0.00 173.24 173.12 2fki s LEU 50 N 1.66 3.76 0.00 2.44 1.02 0.15 -1.19 118.68 126.51 2fki s LEU 50 Ca 0.05 -0.37 -0.00 0.00 0.02 0.00 0.00 54.13 53.83 2fki s LEU 50 Cb -0.17 -2.46 0.02 0.00 0.02 0.00 0.00 46.19 43.61 2fki s LEU 50 CO 0.08 -0.41 0.17 2.29 0.02 0.00 0.00 176.35 178.50 2fki n LYS 51 N -1.51 0.43 -1.62 1.70 2.85 -1.25 0.32 118.16 119.08 2fki n LYS 51 Ca -0.01 -0.43 -0.32 0.00 -1.05 0.00 0.00 58.31 56.50 2fki n LYS 51 Cb 0.59 -0.12 -0.04 0.00 -0.65 0.00 0.00 35.03 34.81 2fki n LYS 51 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2fki s THR 52 N -0.42 3.05 -0.06 0.58 2.01 -1.20 -4.45 115.64 115.16 2fki s THR 52 Ca 0.11 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.13 2fki s THR 52 Cb -0.01 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 2fki s THR 52 CO 0.07 -0.12 -0.06 -0.55 -0.69 0.00 0.00 174.62 173.27 2fki s SER 53 N 11.51 4.69 0.04 3.53 0.15 -1.26 -5.02 113.70 127.34 2fki s SER 53 Ca 0.93 -0.03 -0.15 0.00 0.70 0.00 0.00 55.95 57.40 2fki s SER 53 Cb -0.16 -1.18 -0.06 0.00 -1.71 0.00 0.00 66.02 62.92 2fki s SER 53 CO 0.22 0.35 1.24 1.55 1.20 0.00 0.00 173.24 177.79 2fki h PRO 54 N 5.10 -0.32 -0.03 5.44 0.13 -1.99 0.24 132.00 140.58 2fki h PRO 54 Ca -0.49 0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 2fki h PRO 54 Cb 1.17 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2fki h PRO 54 CO 0.53 -0.21 -0.35 0.93 -0.23 0.00 0.00 178.00 178.66 2fki h GLU 55 N -0.33 0.05 0.03 0.86 5.08 -1.98 -0.07 114.58 118.22 2fki h GLU 55 Ca -0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2fki h GLU 55 Cb 0.33 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2fki h GLU 55 CO -0.12 0.40 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.21 2fki h LEU 56 N 0.05 -0.04 -0.41 1.33 -0.00 -1.92 -2.86 115.31 111.46 2fki h LEU 56 Ca 0.00 -0.35 -0.07 0.00 -0.00 0.00 0.00 57.88 57.46 2fki h LEU 56 Cb 0.65 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.30 2fki h LEU 56 CO 0.05 0.34 -0.00 0.00 -0.00 0.00 0.00 178.44 178.82 2fki h ALA 57 N 0.53 0.56 -1.00 1.53 0.00 -0.28 -3.03 119.26 117.56 2fki h ALA 57 Ca -0.00 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.73 2fki h ALA 57 Cb 0.39 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 2fki h ALA 57 CO 0.01 0.35 0.64 0.93 0.00 0.00 0.00 179.25 181.18 2fki h GLU 58 N 0.57 1.06 0.20 0.00 4.39 -1.07 0.39 114.58 120.12 2fki h GLU 58 Ca 0.12 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2fki h GLU 58 Cb 0.49 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2fki h GLU 58 CO 0.02 0.70 -0.10 1.25 -1.16 0.00 0.00 179.01 179.73 2fki h LEU 59 N 1.09 -0.23 -0.66 1.33 5.85 -1.39 -2.60 115.31 118.71 2fki h LEU 59 Ca 0.46 -0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.96 2fki h LEU 59 Cb 0.32 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2fki h LEU 59 CO -0.22 -0.05 -0.63 0.17 -0.34 0.00 0.00 178.44 177.38 2fki h LEU 60 N -0.40 0.00 -0.44 2.25 8.10 -1.39 0.96 115.31 124.40 2fki h LEU 60 Ca -0.03 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.91 2fki h LEU 60 Cb 0.30 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.51 2fki h LEU 60 CO 0.05 0.63 0.07 -0.09 -4.11 0.00 0.00 178.44 174.98 2fki h ARG 61 N 0.00 0.73 0.01 0.17 9.65 -0.16 -3.14 114.38 121.65 2fki h ARG 61 Ca -0.01 -0.20 -0.15 0.00 -1.10 0.00 0.00 59.98 58.53 2fki h ARG 61 Cb 1.17 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 2fki h ARG 61 CO 0.08 0.76 -0.80 1.96 2.80 0.00 0.00 179.97 184.78 2fki h GLN 62 N 0.59 0.03 -3.68 0.20 7.50 -1.47 -3.43 115.11 114.85 2fki h GLN 62 Ca 0.13 -0.05 -0.74 0.00 0.50 0.00 0.00 58.65 58.49 2fki h GLN 62 Cb 0.39 0.02 -0.31 0.00 0.05 0.00 0.00 27.48 27.63 2fki h GLN 62 CO 0.01 1.02 -0.11 -0.65 -1.50 0.00 0.00 178.83 177.60 2fki s GLN 63 N -2.32 3.13 -1.26 1.46 -0.21 0.33 -4.98 119.66 115.82 2fki s GLN 63 Ca -0.24 -2.55 -0.13 0.00 0.02 0.00 0.00 55.36 52.46 2fki s GLN 63 Cb 0.02 -4.09 0.15 0.00 1.00 0.00 0.00 33.01 30.09 2fki s GLN 63 CO 0.65 -1.24 1.63 1.58 -2.12 0.00 0.00 175.29 175.79 2fki n HIS 64 N 3.65 4.38 -3.88 0.91 -0.00 -1.19 -4.15 115.22 114.93 2fki n HIS 64 Ca 0.12 -3.13 -0.10 0.00 0.46 0.00 0.00 57.72 55.07 2fki n HIS 64 Cb 0.42 -2.22 -0.08 0.00 -0.12 0.00 0.00 29.99 27.98 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 2.61 0.12 0.00 0.26 0.01 -1.26 -4.98 113.70 110.45 2fki s SER 65 Ca 0.44 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.18 2fki s SER 65 Cb 0.02 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2fki s SER 65 CO 0.01 -0.59 0.00 -0.67 0.41 0.00 0.00 173.24 172.40 2fki n ASP 66 N 0.49 0.00 -0.06 2.44 2.03 -1.26 -4.53 116.55 115.67 2fki n ASP 66 Ca -0.18 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.05 2fki n ASP 66 Cb 0.60 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.98 2fki n ASP 66 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2fki h VAL 67 N 0.00 0.95 -2.46 5.18 3.04 -1.94 -3.49 116.25 117.53 2fki h VAL 67 Ca 0.00 -0.07 0.05 0.00 -1.01 0.00 0.00 66.70 65.67 2fki h VAL 67 Cb 0.00 0.73 -0.03 0.00 -2.01 0.00 0.00 31.29 29.98 2fki h VAL 67 CO 0.00 0.04 -0.69 -2.11 -1.01 0.00 0.00 177.57 173.80 2fki n ARG 68 N -5.03 -2.65 -1.67 4.17 1.85 -1.26 -4.75 116.66 107.33 2fki n ARG 68 Ca -0.02 2.07 -0.43 0.00 -1.00 0.00 0.00 57.85 58.48 2fki n ARG 68 Cb 0.08 -2.66 -0.03 0.00 -1.05 0.00 0.00 32.46 28.80 2fki n ARG 68 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2fki s PRO 69 N -4.74 3.29 -0.70 2.89 0.04 -1.26 -4.92 135.00 129.60 2fki s PRO 69 Ca 0.00 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 62.84 2fki s PRO 69 Cb 0.00 -4.32 0.06 0.00 0.04 0.00 0.00 34.50 30.28 2fki s PRO 69 CO 0.00 -1.92 1.06 -1.12 0.04 0.00 0.00 177.00 175.06 2fki s SER 70 N 7.50 6.20 -1.21 6.66 0.01 -1.26 -4.95 113.70 126.65 2fki s SER 70 Ca 0.96 -0.93 -0.20 0.00 1.31 0.00 0.00 55.95 57.09 2fki s SER 70 Cb -0.33 -2.46 0.03 0.00 0.21 0.00 0.00 66.02 63.47 2fki s SER 70 CO 0.36 -1.52 1.74 -0.60 0.41 0.00 0.00 173.24 173.62 2fki s ARG 71 N 4.42 3.55 -0.25 12.44 3.52 -1.26 -4.54 118.95 136.83 2fki s ARG 71 Ca 0.26 -1.60 -0.16 0.00 -0.13 0.00 0.00 55.73 54.11 2fki s ARG 71 Cb -0.14 -5.43 -0.15 0.00 -1.56 0.00 0.00 34.95 27.68 2fki s ARG 71 CO 0.10 -2.65 -0.15 0.72 -0.81 0.00 0.00 175.30 172.50 2fki n HIS 72 N 9.96 0.36 0.12 5.12 8.25 -1.26 -4.99 115.22 132.78 2fki n HIS 72 Ca 0.45 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 58.06 2fki n HIS 72 Cb 0.47 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 30.54 2fki n HIS 72 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2fki n LEU 73 N -4.25 -0.69 -4.73 2.41 4.32 -1.26 -5.12 117.00 107.68 2fki n LEU 73 Ca -0.47 0.43 -0.25 0.00 -0.02 0.00 0.00 56.01 55.70 2fki n LEU 73 Cb 0.83 0.81 -0.06 0.00 -1.62 0.00 0.00 43.42 43.38 2fki n LEU 73 CO 0.10 -0.57 -0.27 0.54 -1.22 0.00 0.00 177.39 175.97 2fki s ASN 74 N -4.21 5.09 0.06 -1.43 6.03 -1.26 -5.04 114.94 114.18 2fki s ASN 74 Ca 0.00 -0.33 0.04 0.00 -1.03 0.00 0.00 52.86 51.54 2fki s ASN 74 Cb 0.00 -1.18 -0.24 0.00 -3.03 0.00 0.00 41.25 36.80 2fki s ASN 74 CO 0.00 0.05 1.04 0.07 -2.03 0.00 0.00 177.10 176.23 2fki h LYS 75 N 2.31 0.10 -2.18 3.55 2.10 -1.91 -3.43 116.57 117.10 2fki h LYS 75 Ca -0.47 -0.17 -0.40 0.00 -2.00 0.00 0.00 60.65 57.62 2fki h LYS 75 Cb 1.21 0.06 -0.34 0.00 -0.90 0.00 0.00 32.23 32.27 2fki h LYS 75 CO 0.60 0.96 -0.70 0.00 -2.00 0.00 0.00 179.45 178.32 2fki s ALA 76 N -2.66 -0.17 0.04 0.07 0.00 -1.26 -4.61 121.76 113.17 2fki s ALA 76 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2fki s ALA 76 Cb 0.08 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.36 2fki s ALA 76 CO 0.84 -1.94 0.00 1.58 0.00 0.00 0.00 175.76 176.24 2fki n HIS 77 N 4.70 -1.90 -2.76 0.00 -0.00 -1.26 -5.09 115.22 108.91 2fki n HIS 77 Ca 0.05 0.13 -0.33 0.00 -0.00 0.00 0.00 57.72 57.57 2fki n HIS 77 Cb 0.44 0.63 -0.06 0.00 -0.00 0.00 0.00 29.99 30.99 2fki n HIS 77 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2fki s TRP 78 N -2.00 3.33 -0.10 1.57 0.52 -1.26 -3.22 118.94 117.78 2fki s TRP 78 Ca 0.00 1.58 0.02 0.00 0.02 0.00 0.00 56.10 57.72 2fki s TRP 78 Cb 0.00 -2.84 0.01 0.00 -1.15 0.00 0.00 33.47 29.50 2fki s TRP 78 CO 0.00 -0.15 -0.15 -1.12 0.02 0.00 0.00 176.95 175.56 2fki s SER 79 N -2.31 2.32 -0.20 2.95 0.01 0.15 -4.91 113.70 111.71 2fki s SER 79 Ca 0.61 -0.40 -0.04 0.00 1.31 0.00 0.00 55.95 57.43 2fki s SER 79 Cb -0.09 -1.04 -0.02 0.00 0.21 0.00 0.00 66.02 65.08 2fki s SER 79 CO 0.16 0.02 -0.03 -0.89 0.41 0.00 0.00 173.24 172.91 2fki s THR 80 N 0.94 3.72 -0.45 1.44 2.01 -1.26 0.29 115.64 122.33 2fki s THR 80 Ca -0.08 -0.39 -0.18 0.00 0.31 0.00 0.00 61.69 61.35 2fki s THR 80 Cb -0.15 -2.67 0.04 0.00 0.01 0.00 0.00 72.50 69.72 2fki s THR 80 CO -0.00 0.44 0.48 -0.69 -0.69 0.00 0.00 174.62 174.15 2fki s VAL 81 N 1.02 5.05 -0.48 3.82 1.01 0.86 -4.89 120.40 126.79 2fki s VAL 81 Ca 0.01 -0.45 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 2fki s VAL 81 Cb -0.14 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2fki s VAL 81 CO 0.01 -0.53 2.11 -0.31 0.00 0.00 0.00 175.10 176.38 2fki s TYR 82 N 2.20 1.40 0.37 5.22 1.51 -1.26 -1.07 117.35 125.71 2fki s TYR 82 Ca 0.12 1.04 0.32 0.00 -1.01 0.00 0.00 57.07 57.54 2fki s TYR 82 Cb -0.18 -3.88 1.59 0.00 -0.11 0.00 0.00 41.96 39.38 2fki s TYR 82 CO 0.13 -2.70 2.09 -0.07 -1.11 0.00 0.00 175.55 173.89 2fki h LEU 83 N 17.10 0.00 -2.19 -1.29 3.38 -1.30 -0.86 115.31 130.15 2fki h LEU 83 Ca -0.28 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.72 2fki h LEU 83 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2fki h LEU 83 CO 1.14 0.07 0.09 -0.78 0.09 0.00 0.00 178.44 179.05 2fki h ASP 84 N 0.00 0.00 0.45 -0.43 3.58 -1.58 -1.38 116.42 117.05 2fki h ASP 84 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2fki h ASP 84 Cb 0.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2fki h ASP 84 CO 0.01 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 2fki n GLY 85 N -1.46 -1.00 2.28 -0.78 0.00 -0.33 -4.92 105.19 98.99 2fki n GLY 85 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 2fki n GLY 85 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2fki n SER 86 N -1.82 -5.76 -4.86 1.61 7.64 -0.52 -5.06 113.62 104.85 2fki n SER 86 Ca 0.02 0.73 -0.29 0.00 1.01 0.00 0.00 58.87 60.34 2fki n SER 86 Cb 0.15 -3.73 -0.05 0.00 -1.01 0.00 0.00 64.21 59.58 2fki n SER 86 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2fki s LEU 87 N -1.32 4.10 0.44 -3.43 2.01 -1.26 -5.08 118.68 114.13 2fki s LEU 87 Ca 0.05 0.09 -0.23 0.00 0.01 0.00 0.00 54.13 54.05 2fki s LEU 87 Cb -0.01 -2.71 -0.10 0.00 0.01 0.00 0.00 46.19 43.37 2fki s LEU 87 CO 0.49 0.12 0.97 -2.65 1.01 0.00 0.00 176.35 176.29 2fki n PRO 88 N 0.01 1.25 0.06 1.29 -0.02 -1.26 -4.86 135.00 131.47 2fki n PRO 88 Ca -0.07 0.45 0.04 0.00 -2.02 0.00 0.00 63.50 61.91 2fki n PRO 88 Cb 0.53 -2.02 0.46 0.00 -0.02 0.00 0.00 33.50 32.45 2fki n PRO 88 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2fki h ASP 89 N 1.37 0.37 0.04 2.55 2.03 -2.02 -0.78 116.42 119.98 2fki h ASP 89 Ca -0.45 -0.02 -0.02 0.00 -0.73 0.00 0.00 57.03 55.82 2fki h ASP 89 Cb 1.34 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.75 2fki h ASP 89 CO 0.56 0.29 -0.06 0.28 -1.03 0.00 0.00 179.24 179.27 2fki h SER 90 N 0.43 0.07 -0.11 4.15 0.02 -2.02 -2.12 113.55 113.97 2fki h SER 90 Ca 0.11 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 2fki h SER 90 Cb -0.01 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2fki h SER 90 CO -0.02 0.14 -0.19 1.56 -1.14 0.00 0.00 176.83 177.19 2fki h GLN 91 N 0.07 0.51 -0.66 3.45 1.08 -1.48 -2.80 115.11 115.27 2fki h GLN 91 Ca 0.02 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 56.97 2fki h GLN 91 Cb 0.16 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 2fki h GLN 91 CO 0.01 0.67 0.12 0.82 -0.95 0.00 0.00 178.83 179.50 2fki h ILE 92 N 0.46 1.26 -0.75 2.54 5.03 -1.41 0.43 117.51 125.07 2fki h ILE 92 Ca 0.08 -1.00 0.06 0.00 -0.12 0.00 0.00 64.86 63.87 2fki h ILE 92 Cb 0.59 0.62 -0.06 0.00 -3.03 0.00 0.00 36.82 34.93 2fki h ILE 92 CO 0.04 0.38 0.45 1.88 -0.68 0.00 0.00 178.15 180.22 2fki h TYR 93 N 1.02 0.83 0.08 1.37 -1.99 -1.46 -1.74 116.97 115.07 2fki h TYR 93 Ca 0.20 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.96 2fki h TYR 93 Cb 0.41 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 38.88 2fki h TYR 93 CO 0.03 0.42 -0.04 -0.92 -0.00 0.00 0.00 178.16 177.65 2fki h TYR 94 N 0.83 -0.10 -0.51 4.88 3.20 -1.30 -2.40 116.97 121.57 2fki h TYR 94 Ca 0.33 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.28 2fki h TYR 94 Cb 0.16 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 2fki h TYR 94 CO -0.05 0.28 0.11 -0.07 -1.64 0.00 0.00 178.16 176.78 2fki h LEU 95 N -0.48 0.02 -0.05 2.82 3.38 -0.61 0.86 115.31 121.26 2fki h LEU 95 Ca -0.01 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2fki h LEU 95 Cb 0.41 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2fki h LEU 95 CO 0.02 0.04 -0.15 0.58 0.09 0.00 0.00 178.44 179.01 2fki h VAL 96 N 0.25 1.45 -0.28 1.22 2.07 -1.40 -3.06 116.25 116.50 2fki h VAL 96 Ca 0.25 -1.57 -0.08 0.00 0.82 0.00 0.00 66.70 66.13 2fki h VAL 96 Cb 0.34 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2fki h VAL 96 CO -0.32 0.43 -0.12 -0.78 0.02 0.00 0.00 177.57 176.80 2fki h ASP 97 N -0.36 0.60 -0.65 0.57 3.58 -1.14 -1.35 116.42 117.67 2fki h ASP 97 Ca -0.01 -0.40 -0.04 0.00 0.42 0.00 0.00 57.03 57.00 2fki h ASP 97 Cb 0.78 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.64 2fki h ASP 97 CO 0.03 0.86 0.24 0.00 -2.88 0.00 0.00 179.24 177.50 2fki h ALA 98 N 0.76 1.16 -0.39 -0.78 0.00 -0.96 0.35 119.26 119.39 2fki h ALA 98 Ca 0.07 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2fki h ALA 98 Cb 0.63 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2fki h ALA 98 CO 0.04 0.60 -0.33 0.77 0.00 0.00 0.00 179.25 180.32 2fki h SER 99 N 0.98 0.92 -0.15 0.00 0.02 -1.41 -2.78 113.55 111.14 2fki h SER 99 Ca 0.22 -0.39 -0.18 0.00 -0.84 0.00 0.00 61.79 60.60 2fki h SER 99 Cb 0.23 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 2fki h SER 99 CO -0.01 1.16 -0.58 0.22 -1.14 0.00 0.00 176.83 176.48 2fki h TYR 100 N 0.73 0.95 -0.77 3.45 3.20 -0.74 -3.11 116.97 120.69 2fki h TYR 100 Ca 0.07 -0.35 0.07 0.00 3.14 0.00 0.00 58.73 61.66 2fki h TYR 100 Cb 0.90 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.94 2fki h TYR 100 CO 0.05 1.15 0.45 0.37 -1.64 0.00 0.00 178.16 178.54 2fki h GLN 101 N 0.56 0.78 -0.81 1.82 -0.00 -0.25 0.02 115.11 117.23 2fki h GLN 101 Ca 0.00 -0.05 0.03 0.00 -0.00 0.00 0.00 58.65 58.63 2fki h GLN 101 Cb 1.17 -0.18 -0.05 0.00 0.00 0.00 0.00 27.48 28.43 2fki h GLN 101 CO 0.12 0.52 0.52 1.96 0.00 0.00 0.00 178.83 181.95 2fki h GLN 102 N 0.81 1.00 -0.31 1.69 4.20 -1.43 -2.00 115.11 119.06 2fki h GLN 102 Ca 0.35 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.87 2fki h GLN 102 Cb 0.22 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2fki h GLN 102 CO -0.19 0.66 -0.32 0.00 -0.67 0.00 0.00 178.83 178.31 2fki h ALA 103 N 1.33 0.86 -0.85 3.87 0.00 -1.17 -2.89 119.26 120.41 2fki h ALA 103 Ca 0.32 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2fki h ALA 103 Cb -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2fki h ALA 103 CO -0.10 0.63 0.45 0.28 0.00 0.00 0.00 179.25 180.51 2fki h VAL 104 N 0.57 1.25 0.00 0.00 2.07 -0.51 -1.92 116.25 117.72 2fki h VAL 104 Ca 0.06 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2fki h VAL 104 Cb 0.83 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2fki h VAL 104 CO 0.07 0.29 0.00 0.78 0.02 0.00 0.00 177.57 178.73 2fki h ASN 105 N 1.20 0.00 0.90 0.57 2.35 -1.18 -2.06 115.58 117.35 2fki h ASN 105 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2fki h ASN 105 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2fki h ASN 105 CO -0.04 0.00 -0.24 0.18 -1.65 0.00 0.00 177.43 175.68 2fki n LEU 106 N -2.59 0.37 -4.87 1.61 4.77 -0.74 -4.85 117.00 110.70 2fki n LEU 106 Ca 0.03 0.32 -0.34 0.00 -0.03 0.00 0.00 56.01 55.99 2fki n LEU 106 Cb 0.33 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 2fki n LEU 106 CO 0.26 0.00 0.09 -0.76 -1.33 0.00 0.00 177.39 175.65 2fki s LEU 107 N -3.40 4.33 0.69 2.23 1.43 -0.78 -5.08 118.68 118.10 2fki s LEU 107 Ca 0.11 0.80 -0.14 0.00 -1.03 0.00 0.00 54.13 53.88 2fki s LEU 107 Cb 0.17 -3.07 0.02 0.00 0.03 0.00 0.00 46.19 43.33 2fki s LEU 107 CO 0.62 0.14 1.12 -2.84 0.23 0.00 0.00 176.35 175.62 2fki s PRO 108 N -2.03 2.57 0.15 1.29 0.02 -1.26 -4.84 135.00 130.90 2fki s PRO 108 Ca 0.35 1.43 -0.25 0.00 0.02 0.00 0.00 61.00 62.55 2fki s PRO 108 Cb -0.14 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.48 2fki s PRO 108 CO 0.19 -1.43 1.59 1.49 -0.33 0.00 0.00 177.00 178.51 2fki h GLU 109 N -0.22 -0.32 -0.53 5.54 4.57 -1.98 -2.05 114.58 119.60 2fki h GLU 109 Ca -0.46 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 57.84 2fki h GLU 109 Cb 1.25 0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 29.82 2fki h GLU 109 CO 0.53 -0.21 -0.14 1.49 -1.18 0.00 0.00 179.01 179.49 2fki h GLU 110 N -0.33 -0.01 -0.66 1.92 4.81 -2.00 -1.15 114.58 117.16 2fki h GLU 110 Ca 0.13 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2fki h GLU 110 Cb 0.56 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 2fki h GLU 110 CO -0.48 -0.01 0.26 0.87 -0.73 0.00 0.00 179.01 178.93 2fki h LYS 111 N -0.01 0.99 -0.54 1.92 6.56 -1.79 -2.36 116.57 121.33 2fki h LYS 111 Ca 0.25 -0.18 -0.07 0.00 -1.06 0.00 0.00 60.65 59.59 2fki h LYS 111 Cb 0.40 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.88 2fki h LYS 111 CO -0.55 0.82 0.05 0.00 -2.06 0.00 0.00 179.45 177.72 2fki h ARG 112 N 0.93 0.88 -0.04 3.15 3.08 -0.69 -2.29 114.38 119.39 2fki h ARG 112 Ca 0.22 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2fki h ARG 112 Cb 0.21 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2fki h ARG 112 CO -0.02 0.84 -0.23 0.87 -1.07 0.00 0.00 179.97 180.36 2fki h LYS 113 N 0.83 0.07 -0.56 0.04 1.57 -0.79 -1.38 116.57 116.34 2fki h LYS 113 Ca 0.17 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 2fki h LYS 113 Cb 0.41 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2fki h LYS 113 CO 0.01 0.30 0.02 -0.07 -0.57 0.00 0.00 179.45 179.14 2fki h LEU 114 N 0.06 0.96 -1.51 2.94 3.38 -0.93 -2.85 115.31 117.37 2fki h LEU 114 Ca 0.01 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 2fki h LEU 114 Cb 0.45 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2fki h LEU 114 CO 0.03 1.02 -0.20 -0.07 0.09 0.00 0.00 178.44 179.32 2fki h LEU 115 N 0.87 0.06 -1.78 1.67 3.38 -0.84 -2.22 115.31 116.45 2fki h LEU 115 Ca 0.16 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2fki h LEU 115 Cb 0.52 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2fki h LEU 115 CO 0.03 0.27 -0.13 0.58 0.09 0.00 0.00 178.44 179.27 2fki h VAL 116 N 0.06 1.02 0.00 1.22 2.07 -1.10 -1.70 116.25 117.82 2fki h VAL 116 Ca 0.01 -0.46 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 2fki h VAL 116 Cb 0.39 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2fki h VAL 116 CO 0.03 0.13 -0.40 1.56 0.02 0.00 0.00 177.57 178.90 2fki h GLN 117 N 0.00 0.00 0.00 1.57 1.08 -1.41 -3.52 115.11 112.82 2fki h GLN 117 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2fki h GLN 117 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2fki h GLN 117 CO 0.02 0.40 0.00 1.28 -0.95 0.00 0.00 178.83 179.58