#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 2.23 0.45 1.12 2.01 -1.26 -4.87 115.64 115.32 2fki s THR 2 Ca 0.00 -1.19 0.17 0.00 0.31 0.00 0.00 61.69 60.99 2fki s THR 2 Cb 0.00 -2.42 0.36 0.00 0.01 0.00 0.00 72.50 70.45 2fki s THR 2 CO 0.00 0.00 1.94 0.40 -0.69 0.00 0.00 174.62 176.27 2fki h ILE 3 N 0.54 0.79 -0.48 1.82 1.08 -2.04 0.15 117.51 119.38 2fki h ILE 3 Ca -0.35 -0.12 0.03 0.00 -0.39 0.00 0.00 64.86 64.03 2fki h ILE 3 Cb 1.29 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.43 2fki h ILE 3 CO 0.49 0.06 0.27 0.77 -0.69 0.00 0.00 178.15 179.05 2fki h SER 4 N 0.34 0.42 0.08 1.72 4.64 -2.00 0.11 113.55 118.87 2fki h SER 4 Ca 0.34 0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.44 2fki h SER 4 Cb 0.86 -0.08 0.02 0.00 -0.31 0.00 0.00 62.40 62.90 2fki h SER 4 CO -0.09 0.30 -0.97 -0.33 -0.87 0.00 0.00 176.83 174.87 2fki h GLU 5 N 0.54 0.52 -0.37 4.77 5.08 -1.52 -3.26 114.58 120.34 2fki h GLU 5 Ca 0.20 -0.66 0.06 0.00 -1.00 0.00 0.00 59.36 57.96 2fki h GLU 5 Cb 0.05 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 2fki h GLU 5 CO -0.11 1.28 0.02 1.25 -1.00 0.00 0.00 179.01 180.45 2fki h LEU 6 N 0.07 -0.11 -0.40 1.33 6.46 -0.58 -1.20 115.31 120.88 2fki h LEU 6 Ca -0.14 0.08 0.06 0.00 -0.12 0.00 0.00 57.88 57.76 2fki h LEU 6 Cb 1.68 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 41.69 2fki h LEU 6 CO 0.19 -0.02 0.08 0.25 -0.62 0.00 0.00 178.44 178.31 2fki h LEU 7 N 0.12 0.00 -0.87 2.25 7.12 -0.86 -0.86 115.31 122.21 2fki h LEU 7 Ca 0.18 0.07 -0.10 0.00 0.13 0.00 0.00 57.88 58.16 2fki h LEU 7 Cb 0.24 0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.45 2fki h LEU 7 CO -0.28 0.04 -0.19 1.56 -0.13 0.00 0.00 178.44 179.44 2fki h GLN 8 N 0.20 0.63 -0.54 1.25 4.20 -1.49 -2.09 115.11 117.27 2fki h GLN 8 Ca 0.19 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 2fki h GLN 8 Cb 0.23 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2fki h GLN 8 CO -0.26 0.78 0.11 -0.92 -0.67 0.00 0.00 178.83 177.88 2fki h TYR 9 N 0.57 0.93 -0.36 2.96 3.20 -0.44 -1.96 116.97 121.86 2fki h TYR 9 Ca 0.09 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 2fki h TYR 9 Cb 0.63 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 2fki h TYR 9 CO 0.03 0.82 -0.07 0.00 -1.64 0.00 0.00 178.16 177.29 2fki n MET 11 N -4.22 0.04 0.00 0.00 2.81 -0.81 -3.01 117.12 111.93 2fki n MET 11 Ca 0.01 0.05 0.14 0.00 -1.81 0.00 0.00 57.70 56.09 2fki n MET 11 Cb 0.31 -1.55 0.60 0.00 -0.71 0.00 0.00 33.22 31.87 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 -1.54 2.52 -3.65 3.04 0.00 -0.77 -4.67 120.51 115.44 2fki n ALA 12 Ca 0.07 -0.15 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 2fki n ALA 12 Cb 0.34 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.89 3.17 0.48 0.00 1.02 -1.16 -5.10 119.74 115.26 2fki s LYS 13 Ca 0.17 -0.75 -0.23 0.00 0.02 0.00 0.00 55.97 55.18 2fki s LYS 13 Cb 0.19 -2.94 -0.08 0.00 -0.52 0.00 0.00 37.83 34.48 2fki s LYS 13 CO 0.53 -0.26 1.10 -2.30 -0.92 0.00 0.00 175.35 173.51 2fki n PRO 14 N 4.74 1.44 0.00 -1.68 -0.02 -1.26 -3.11 135.00 135.11 2fki n PRO 14 Ca -0.18 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2fki n PRO 14 Cb 0.50 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2fki n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fki n GLY 15 N 1.07 2.84 3.63 -1.23 0.00 -1.26 -5.02 105.19 105.22 2fki n GLY 15 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.54 3.57 -0.05 4.61 0.00 -1.18 -4.11 121.76 122.06 2fki s ALA 16 Ca 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2fki s ALA 16 Cb 0.00 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 2fki s ALA 16 CO 0.00 -0.39 0.02 -2.00 0.00 0.00 0.00 175.76 173.39 2fki s GLU 17 N 1.46 2.95 -0.01 0.00 2.12 0.20 -4.89 118.70 120.53 2fki s GLU 17 Ca 0.11 -0.47 -0.19 0.00 0.36 0.00 0.00 54.97 54.77 2fki s GLU 17 Cb -0.15 -2.78 -0.05 0.00 0.26 0.00 0.00 34.13 31.41 2fki s GLU 17 CO 0.08 0.68 0.56 -1.14 -0.54 0.00 0.00 175.26 174.89 2fki s GLN 18 N -1.20 4.26 -0.11 4.30 0.74 -1.26 -2.46 119.66 123.91 2fki s GLN 18 Ca 0.16 0.66 -0.05 0.00 0.05 0.00 0.00 55.36 56.19 2fki s GLN 18 Cb -0.11 -3.32 0.06 0.00 1.10 0.00 0.00 33.01 30.73 2fki s GLN 18 CO 0.06 0.42 0.24 -1.54 -0.55 0.00 0.00 175.29 173.92 2fki s SER 19 N -0.33 0.26 -0.15 6.67 1.04 -1.03 -5.01 113.70 115.15 2fki s SER 19 Ca 0.29 0.53 -0.17 0.00 0.48 0.00 0.00 55.95 57.08 2fki s SER 19 Cb -0.18 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 2fki s SER 19 CO 0.16 -0.22 0.43 0.54 0.98 0.00 0.00 173.24 175.13 2fki s VAL 20 N 2.10 5.20 -0.62 5.02 0.11 -1.26 -0.08 120.40 130.88 2fki s VAL 20 Ca -0.01 0.83 -0.16 0.00 -2.93 0.00 0.00 61.98 59.72 2fki s VAL 20 Cb -0.12 -3.77 0.15 0.00 -1.53 0.00 0.00 36.38 31.12 2fki s VAL 20 CO -0.08 0.31 0.58 -2.28 -3.33 0.00 0.00 175.10 170.30 2fki s HIS 21 N 0.82 3.38 -0.49 1.54 2.46 -0.78 -4.95 115.29 117.27 2fki s HIS 21 Ca 0.23 -1.47 -0.26 0.00 0.47 0.00 0.00 55.06 54.03 2fki s HIS 21 Cb -0.15 -3.81 -0.05 0.00 -0.13 0.00 0.00 32.58 28.44 2fki s HIS 21 CO 0.08 -1.02 2.23 -0.80 -2.47 0.00 0.00 174.74 172.77 2fki s ASN 22 N 3.23 4.78 0.00 9.88 -0.87 -1.26 -1.81 114.94 128.89 2fki s ASN 22 Ca 0.07 0.98 0.00 0.00 -1.57 0.00 0.00 52.86 52.34 2fki s ASN 22 Cb -0.25 -2.51 0.00 0.00 -0.02 0.00 0.00 41.25 38.47 2fki s ASN 22 CO -0.00 -2.63 0.00 -0.67 -2.57 0.00 0.00 177.10 171.23 2fki n ASP 23 N 14.56 0.00 0.08 -1.22 -0.08 -1.26 -4.83 116.55 123.80 2fki n ASP 23 Ca 0.32 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.65 2fki n ASP 23 Cb 0.53 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.97 2fki n ASP 23 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 2fki h TRP 24 N 0.00 0.00 -5.39 -0.67 4.06 -1.99 -3.49 115.95 108.47 2fki h TRP 24 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 2fki h TRP 24 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2fki h TRP 24 CO 0.00 0.31 -0.13 1.17 -3.56 0.00 0.00 178.44 176.23 2fki n LYS 25 N -2.86 -1.53 -4.04 0.49 0.00 -0.75 -4.87 118.16 104.60 2fki n LYS 25 Ca -0.04 1.60 -0.13 0.00 0.00 0.00 0.00 58.31 59.74 2fki n LYS 25 Cb 0.70 -5.65 -0.03 0.00 0.00 0.00 0.00 35.03 30.04 2fki n LYS 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2fki s ALA 26 N -2.92 0.47 -0.17 3.14 0.00 -1.25 -4.83 121.76 116.20 2fki s ALA 26 Ca 0.05 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 50.61 2fki s ALA 26 Cb -0.01 1.08 -0.03 0.00 0.00 0.00 0.00 23.12 24.15 2fki s ALA 26 CO 0.76 -0.82 -0.01 0.99 0.00 0.00 0.00 175.76 176.67 2fki s THR 27 N -3.01 4.05 -0.19 0.00 2.01 -1.11 -1.86 115.64 115.52 2fki s THR 27 Ca 0.28 -0.30 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 2fki s THR 27 Cb -0.01 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 2fki s THR 27 CO 0.18 0.47 0.03 -1.10 -0.69 0.00 0.00 174.62 173.52 2fki s GLN 28 N 0.51 3.82 -0.43 4.92 -0.21 0.88 -1.43 119.66 127.73 2fki s GLN 28 Ca -0.02 -0.42 -0.16 0.00 0.02 0.00 0.00 55.36 54.78 2fki s GLN 28 Cb -0.14 -3.14 0.03 0.00 1.00 0.00 0.00 33.01 30.76 2fki s GLN 28 CO 0.02 0.18 0.35 0.42 -2.12 0.00 0.00 175.29 174.14 2fki s ILE 29 N 0.60 5.22 0.15 1.08 1.01 0.75 -2.45 121.20 127.56 2fki s ILE 29 Ca 0.01 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.00 2fki s ILE 29 Cb -0.13 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 2fki s ILE 29 CO 0.02 -0.40 -0.06 -1.59 0.00 0.00 0.00 174.94 172.90 2fki s LYS 30 N 1.77 1.05 0.00 2.79 -2.85 -1.03 -2.99 119.74 118.48 2fki s LYS 30 Ca 0.06 -1.47 0.00 0.00 -1.00 0.00 0.00 55.97 53.56 2fki s LYS 30 Cb -0.20 -0.47 0.00 0.00 -2.06 0.00 0.00 37.83 35.10 2fki s LYS 30 CO 0.10 -0.00 0.00 0.28 0.10 0.00 0.00 175.35 175.83 2fki n VAL 31 N -0.20 0.00 0.35 1.79 0.31 0.42 0.58 118.33 121.58 2fki n VAL 31 Ca -0.09 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.06 2fki n VAL 31 Cb 0.61 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.46 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 -0.88 0.00 5.55 5.08 -1.99 -3.40 114.58 118.94 2fki h GLU 32 Ca 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2fki h GLU 32 Cb 0.00 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2fki h GLU 32 CO 0.00 -0.58 -0.15 -3.47 -1.00 0.00 0.00 179.01 173.81 2fki n ASP 33 N -5.50 0.00 -4.55 1.42 2.03 -1.26 -5.07 116.55 103.62 2fki n ASP 33 Ca -0.13 -1.30 -0.40 0.00 0.52 0.00 0.00 54.79 53.48 2fki n ASP 33 Cb 0.38 -0.06 -0.10 0.00 -0.72 0.00 0.00 41.12 40.63 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 5.19 -0.13 5.18 1.01 -1.26 -5.06 120.40 125.33 2fki s VAL 34 Ca 0.00 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 2fki s VAL 34 Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2fki s VAL 34 CO 0.00 -0.02 0.43 -0.76 0.00 0.00 0.00 175.10 174.75 2fki s LEU 35 N 1.97 4.26 0.00 3.92 1.43 -1.26 -0.43 118.68 128.57 2fki s LEU 35 Ca 0.11 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 2fki s LEU 35 Cb -0.16 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.45 2fki s LEU 35 CO 0.11 0.02 0.03 2.22 0.23 0.00 0.00 176.35 178.97 2fki n PHE 36 N 3.69 0.00 -3.62 0.29 -1.74 -1.16 -4.99 117.46 109.93 2fki n PHE 36 Ca -0.08 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.67 2fki n PHE 36 Cb 0.52 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.45 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 -0.71 -1.79 -0.20 1.98 0.00 -1.18 -4.44 121.76 115.42 2fki s ALA 37 Ca 0.00 1.97 -0.05 0.00 0.00 0.00 0.00 51.96 53.87 2fki s ALA 37 Cb 0.00 -1.09 0.10 0.00 0.00 0.00 0.00 23.12 22.13 2fki s ALA 37 CO 0.00 -0.34 0.38 1.41 0.00 0.00 0.00 175.76 177.21 2fki s MET 38 N 0.24 0.30 -0.14 0.00 1.75 -1.04 -0.18 119.30 120.23 2fki s MET 38 Ca -0.01 0.81 -0.04 0.00 -1.25 0.00 0.00 55.69 55.20 2fki s MET 38 Cb -0.05 -0.03 -0.03 0.00 2.84 0.00 0.00 34.83 37.56 2fki s MET 38 CO 0.01 -0.40 -0.01 0.54 -0.65 0.00 0.00 175.02 174.52 2fki s VAL 39 N 2.56 4.20 0.18 10.11 0.11 -0.51 -0.61 120.40 136.44 2fki s VAL 39 Ca 0.04 -0.26 0.07 0.00 -2.93 0.00 0.00 61.98 58.90 2fki s VAL 39 Cb -0.13 -2.83 -0.05 0.00 -1.53 0.00 0.00 36.38 31.84 2fki s VAL 39 CO -0.13 0.52 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.48 2fki s LYS 40 N -0.01 1.24 -0.35 1.54 3.01 0.85 -2.75 119.74 123.26 2fki s LYS 40 Ca 0.03 -1.52 -0.09 0.00 -1.01 0.00 0.00 55.97 53.38 2fki s LYS 40 Cb -0.13 -1.01 0.03 0.00 -1.01 0.00 0.00 37.83 35.71 2fki s LYS 40 CO 0.02 0.17 0.16 -1.21 0.51 0.00 0.00 175.35 175.00 2fki s GLU 41 N -3.53 2.81 -0.07 1.68 2.02 -1.26 -0.17 118.70 120.19 2fki s GLU 41 Ca 0.20 -1.08 0.04 0.00 0.02 0.00 0.00 54.97 54.15 2fki s GLU 41 Cb -0.01 -3.62 -0.00 0.00 0.10 0.00 0.00 34.13 30.61 2fki s GLU 41 CO 0.05 -0.66 -0.20 0.54 0.02 0.00 0.00 175.26 175.01 2fki s VAL 42 N 1.51 1.73 -1.92 2.63 0.11 -0.63 -4.56 120.40 119.27 2fki s VAL 42 Ca 0.01 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 2fki s VAL 42 Cb -0.19 -1.49 0.00 0.00 -1.53 0.00 0.00 36.38 33.17 2fki s VAL 42 CO 0.05 0.49 0.00 -0.62 -3.33 0.00 0.00 175.10 171.69 2fki n GLU 43 N 3.32 -1.47 -1.72 1.54 1.02 -1.26 -1.51 120.64 120.56 2fki n GLU 43 Ca -0.19 1.09 -0.13 0.00 -0.02 0.00 0.00 57.16 57.91 2fki n GLU 43 Cb 0.52 -5.55 -0.04 0.00 -0.02 0.00 0.00 31.44 26.36 2fki n GLU 43 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2fki n ASN 44 N -1.47 -4.42 -4.10 1.62 5.15 -1.26 -5.01 115.26 105.77 2fki n ASN 44 Ca -0.22 0.20 -0.21 0.00 -0.60 0.00 0.00 54.58 53.75 2fki n ASN 44 Cb 0.66 -3.28 -0.15 0.00 -0.53 0.00 0.00 39.78 36.48 2fki n ASN 44 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2fki s ARG 45 N -3.72 1.04 0.04 1.20 1.70 -0.57 -5.10 118.95 113.54 2fki s ARG 45 Ca 0.00 -0.53 -0.31 0.00 -0.47 0.00 0.00 55.73 54.43 2fki s ARG 45 Cb 0.00 -1.01 -0.07 0.00 -0.57 0.00 0.00 34.95 33.30 2fki s ARG 45 CO 0.00 0.27 1.45 -2.14 -1.08 0.00 0.00 175.30 173.80 2fki s PRO 46 N -0.48 4.27 -0.06 3.89 0.02 -1.26 -1.61 135.00 139.77 2fki s PRO 46 Ca 0.04 2.06 0.01 0.00 0.02 0.00 0.00 61.00 63.14 2fki s PRO 46 Cb -0.06 -3.49 0.02 0.00 0.02 0.00 0.00 34.50 30.99 2fki s PRO 46 CO -0.00 -0.57 -0.08 0.00 -0.33 0.00 0.00 177.00 176.02 2fki s ALA 47 N 2.12 1.01 -0.01 -1.55 0.00 0.77 -1.31 121.76 122.79 2fki s ALA 47 Ca 0.66 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.40 2fki s ALA 47 Cb -0.34 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2fki s ALA 47 CO 0.29 -0.05 -0.16 0.54 0.00 0.00 0.00 175.76 176.37 2fki s VAL 48 N 0.99 2.89 -0.20 0.00 0.11 0.09 -0.10 120.40 124.17 2fki s VAL 48 Ca -0.09 -0.96 -0.04 0.00 -2.93 0.00 0.00 61.98 57.96 2fki s VAL 48 Cb -0.15 -2.17 -0.02 0.00 -1.53 0.00 0.00 36.38 32.52 2fki s VAL 48 CO 0.00 0.47 -0.04 -0.44 -3.33 0.00 0.00 175.10 171.76 2fki s SER 49 N -1.06 4.46 0.50 3.54 0.01 0.22 0.21 113.70 121.59 2fki s SER 49 Ca 0.13 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.13 2fki s SER 49 Cb -0.11 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.37 2fki s SER 49 CO 0.03 0.04 0.23 -0.76 0.41 0.00 0.00 173.24 173.19 2fki s LEU 50 N 1.12 2.67 0.35 2.44 1.02 0.12 -2.50 118.68 123.90 2fki s LEU 50 Ca 0.02 -1.33 -0.06 0.00 0.02 0.00 0.00 54.13 52.77 2fki s LEU 50 Cb -0.15 -1.11 -0.05 0.00 0.02 0.00 0.00 46.19 44.90 2fki s LEU 50 CO -0.00 -0.90 0.65 -0.75 0.02 0.00 0.00 176.35 175.37 2fki s LYS 51 N -4.08 3.66 -0.42 1.70 2.20 -1.26 -0.20 119.74 121.35 2fki s LYS 51 Ca 0.27 0.16 -0.27 0.00 -0.36 0.00 0.00 55.97 55.77 2fki s LYS 51 Cb 0.00 -2.53 -0.05 0.00 -1.51 0.00 0.00 37.83 33.74 2fki s LYS 51 CO 0.16 0.08 2.19 0.99 -0.36 0.00 0.00 175.35 178.41 2fki s THR 52 N -2.26 3.13 0.09 3.43 2.01 -1.26 -4.86 115.64 115.91 2fki s THR 52 Ca 0.46 0.10 0.09 0.00 0.31 0.00 0.00 61.69 62.65 2fki s THR 52 Cb -0.10 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 2fki s THR 52 CO 0.32 -0.21 -0.21 -0.55 -0.69 0.00 0.00 174.62 173.28 2fki s SER 53 N 9.75 3.66 0.17 3.53 0.15 -1.26 -5.03 113.70 124.67 2fki s SER 53 Ca 0.91 -0.57 -0.23 0.00 0.70 0.00 0.00 55.95 56.76 2fki s SER 53 Cb -0.21 -0.47 0.07 0.00 -1.71 0.00 0.00 66.02 63.70 2fki s SER 53 CO 0.28 0.21 1.58 -0.65 1.20 0.00 0.00 173.24 175.87 2fki h PRO 54 N 4.11 -0.22 0.00 5.44 0.11 -1.99 0.10 132.00 139.55 2fki h PRO 54 Ca -0.49 0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 2fki h PRO 54 Cb 1.16 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2fki h PRO 54 CO 0.45 -0.15 -0.55 0.93 -0.21 0.00 0.00 178.00 178.46 2fki h GLU 55 N -0.23 0.00 -0.45 1.05 5.08 -1.98 -0.28 114.58 117.77 2fki h GLU 55 Ca 0.19 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2fki h GLU 55 Cb 0.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2fki h GLU 55 CO -0.62 0.55 0.11 -0.07 -1.00 0.00 0.00 179.01 177.99 2fki h LEU 56 N 0.00 0.61 -0.24 1.33 -0.00 -1.64 0.29 115.31 115.66 2fki h LEU 56 Ca -0.01 -0.09 -0.21 0.00 -0.00 0.00 0.00 57.88 57.57 2fki h LEU 56 Cb 1.07 -0.16 0.01 0.00 -0.00 0.00 0.00 40.66 41.58 2fki h LEU 56 CO 0.07 0.61 -0.75 0.00 -0.00 0.00 0.00 178.44 178.38 2fki h ALA 57 N 1.48 0.41 -0.40 1.53 0.00 -0.39 -2.76 119.26 119.12 2fki h ALA 57 Ca 0.15 -0.59 0.07 0.00 0.00 0.00 0.00 54.91 54.53 2fki h ALA 57 Cb 0.24 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2fki h ALA 57 CO -0.00 0.70 0.04 1.49 0.00 0.00 0.00 179.25 181.48 2fki h GLU 58 N 0.48 0.15 -0.26 0.00 4.22 -0.49 -0.68 114.58 117.99 2fki h GLU 58 Ca -0.04 -0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.45 2fki h GLU 58 Cb 1.36 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 2fki h GLU 58 CO 0.15 0.10 -0.16 1.25 -2.18 0.00 0.00 179.01 178.17 2fki h LEU 59 N 0.15 -0.53 -1.63 1.64 5.85 -0.40 -0.94 115.31 119.46 2fki h LEU 59 Ca 0.20 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 2fki h LEU 59 Cb 0.26 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2fki h LEU 59 CO -0.29 -0.20 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.35 2fki h LEU 60 N -0.14 0.00 -0.12 2.25 4.07 -1.11 0.54 115.31 120.80 2fki h LEU 60 Ca 0.14 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.98 2fki h LEU 60 Cb 0.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.10 2fki h LEU 60 CO -0.35 0.19 -0.40 0.03 -1.08 0.00 0.00 178.44 176.83 2fki h ARG 61 N 0.00 0.48 0.09 1.13 2.47 -0.27 -3.33 114.38 114.95 2fki h ARG 61 Ca -0.00 -0.36 -0.32 0.00 -1.26 0.00 0.00 59.98 58.04 2fki h ARG 61 Cb 0.35 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 2fki h ARG 61 CO 0.03 0.98 -1.69 1.96 0.56 0.00 0.00 179.97 181.81 2fki h GLN 62 N 0.07 0.19 -4.20 0.04 7.50 -0.96 -3.42 115.11 114.35 2fki h GLN 62 Ca -0.02 -0.33 -0.66 0.00 0.50 0.00 0.00 58.65 58.14 2fki h GLN 62 Cb 1.03 0.12 -0.39 0.00 0.05 0.00 0.00 27.48 28.30 2fki h GLN 62 CO 0.09 1.00 -0.63 -0.65 -1.50 0.00 0.00 178.83 177.13 2fki s GLN 63 N -2.60 1.81 -0.65 1.46 -0.21 0.19 -5.00 119.66 114.66 2fki s GLN 63 Ca -0.11 -2.13 0.06 0.00 0.02 0.00 0.00 55.36 53.19 2fki s GLN 63 Cb 0.07 -3.36 0.23 0.00 1.00 0.00 0.00 33.01 30.95 2fki s GLN 63 CO 0.82 -1.03 0.67 1.58 -2.12 0.00 0.00 175.29 175.21 2fki n HIS 64 N 3.93 3.37 -0.02 0.91 -0.00 -1.25 -4.21 115.22 117.95 2fki n HIS 64 Ca 0.04 -4.17 -0.02 0.00 0.46 0.00 0.00 57.72 54.02 2fki n HIS 64 Cb 0.39 -0.56 -0.01 0.00 -0.12 0.00 0.00 29.99 29.69 2fki n HIS 64 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2fki n SER 65 N 1.19 0.50 0.00 0.26 3.41 -1.26 -4.85 113.62 112.87 2fki n SER 65 Ca 0.27 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2fki n SER 65 Cb 0.40 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2fki n SER 65 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2fki n ASP 66 N -3.00 1.66 -4.71 4.04 5.75 -1.26 -5.01 116.55 114.01 2fki n ASP 66 Ca -0.03 -1.71 -0.42 0.00 -0.01 0.00 0.00 54.79 52.62 2fki n ASP 66 Cb 0.13 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.19 2fki n ASP 66 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2fki s VAL 67 N -0.71 4.82 -0.07 2.12 -7.23 -1.26 -4.28 120.40 113.79 2fki s VAL 67 Ca 0.00 2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 61.89 2fki s VAL 67 Cb 0.00 -4.30 0.07 0.00 0.56 0.00 0.00 36.38 32.71 2fki s VAL 67 CO 0.00 0.15 0.69 0.00 -0.31 0.00 0.00 175.10 175.64 2fki s ARG 68 N 1.04 1.03 0.64 4.82 1.70 -1.16 -5.02 118.95 122.00 2fki s ARG 68 Ca 0.52 0.31 -0.11 0.00 -0.47 0.00 0.00 55.73 55.98 2fki s ARG 68 Cb -0.21 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 2fki s ARG 68 CO 0.28 -0.31 1.04 -1.25 -1.08 0.00 0.00 175.30 173.98 2fki s PRO 69 N -1.08 3.39 -0.05 3.89 0.04 -1.26 -3.97 135.00 135.95 2fki s PRO 69 Ca -0.10 0.85 0.04 0.00 0.04 0.00 0.00 61.00 61.83 2fki s PRO 69 Cb -0.00 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2fki s PRO 69 CO 0.09 -0.74 -0.16 -1.54 0.04 0.00 0.00 177.00 174.70 2fki s SER 70 N -3.94 3.92 0.06 6.66 1.04 -1.26 -4.94 113.70 115.23 2fki s SER 70 Ca 0.57 -0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.65 2fki s SER 70 Cb -0.12 -0.83 -0.30 0.00 0.10 0.00 0.00 66.02 64.87 2fki s SER 70 CO 0.52 0.33 1.09 -0.09 0.98 0.00 0.00 173.24 176.07 2fki h ARG 71 N 5.42 0.47 0.00 4.02 2.43 -1.98 -2.01 114.38 122.74 2fki h ARG 71 Ca -0.45 -0.74 -0.05 0.00 -0.81 0.00 0.00 59.98 57.93 2fki h ARG 71 Cb 1.15 0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 2fki h ARG 71 CO 0.50 1.34 -0.22 1.25 -1.51 0.00 0.00 179.97 181.33 2fki h HIS 72 N 0.16 0.00 0.00 2.20 2.76 -2.02 -2.54 115.15 115.71 2fki h HIS 72 Ca -0.20 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 57.87 2fki h HIS 72 Cb 2.02 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.96 2fki h HIS 72 CO 0.10 0.22 -1.44 1.28 -1.30 0.00 0.00 177.93 176.80 2fki n LEU 73 N -3.91 0.67 -1.38 0.26 7.99 -1.21 -5.08 117.00 114.35 2fki n LEU 73 Ca -0.02 0.28 0.00 0.00 -0.01 0.00 0.00 56.01 56.26 2fki n LEU 73 Cb 0.31 0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.67 2fki n LEU 73 CO 0.34 0.04 -0.30 -3.20 -1.51 0.00 0.00 177.39 172.77 2fki n ASN 74 N -2.72 -6.39 0.27 -1.43 2.85 -0.76 -4.03 115.26 103.06 2fki n ASN 74 Ca -0.07 0.85 0.13 0.00 -0.11 0.00 0.00 54.58 55.37 2fki n ASN 74 Cb 0.73 -3.29 0.78 0.00 1.24 0.00 0.00 39.78 39.23 2fki n ASN 74 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2fki h LYS 75 N 2.45 0.00 0.00 1.20 3.11 -1.71 0.82 116.57 122.44 2fki h LYS 75 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2fki h LYS 75 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 2fki h LYS 75 CO 0.00 0.07 0.00 0.00 -2.81 0.00 0.00 179.45 176.71 2fki h ALA 76 N 1.93 1.00 0.00 5.00 0.00 -1.95 -3.30 119.26 121.94 2fki h ALA 76 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2fki h ALA 76 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2fki h ALA 76 CO 0.01 0.00 -1.28 1.58 0.00 0.00 0.00 179.25 179.56 2fki n HIS 77 N -2.70 0.00 -4.33 0.00 -0.00 -0.53 -4.97 115.22 102.69 2fki n HIS 77 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 2fki n HIS 77 Cb 0.19 -0.18 -0.13 0.00 -0.00 0.00 0.00 29.99 29.87 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 -2.09 1.97 -0.07 1.57 0.52 0.17 -4.53 118.94 116.49 2fki s TRP 78 Ca -0.07 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.68 2fki s TRP 78 Cb 0.03 -1.08 0.00 0.00 -1.15 0.00 0.00 33.47 31.27 2fki s TRP 78 CO 0.09 0.25 -0.18 -1.12 0.02 0.00 0.00 176.95 176.01 2fki s SER 79 N -1.94 2.35 -0.27 2.95 0.01 0.72 -3.60 113.70 113.93 2fki s SER 79 Ca 0.09 -0.40 -0.10 0.00 1.31 0.00 0.00 55.95 56.84 2fki s SER 79 Cb -0.10 -0.89 -0.05 0.00 0.21 0.00 0.00 66.02 65.19 2fki s SER 79 CO 0.05 0.13 0.17 -0.89 0.41 0.00 0.00 173.24 173.10 2fki s THR 80 N 0.29 5.18 -0.21 1.44 2.01 -1.25 -0.70 115.64 122.39 2fki s THR 80 Ca -0.11 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.99 2fki s THR 80 Cb -0.15 -3.46 -0.00 0.00 0.01 0.00 0.00 72.50 68.90 2fki s THR 80 CO 0.04 0.27 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.47 2fki s VAL 81 N 1.67 3.05 0.39 3.82 1.01 0.13 -3.00 120.40 127.47 2fki s VAL 81 Ca 0.07 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 2fki s VAL 81 Cb -0.16 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 2fki s VAL 81 CO 0.09 0.46 0.74 -0.31 0.00 0.00 0.00 175.10 176.08 2fki s TYR 82 N 1.36 3.46 -0.34 5.22 1.51 -1.26 -0.73 117.35 126.57 2fki s TYR 82 Ca 0.05 1.01 0.09 0.00 -1.01 0.00 0.00 57.07 57.21 2fki s TYR 82 Cb -0.14 -2.41 0.72 0.00 -0.11 0.00 0.00 41.96 40.02 2fki s TYR 82 CO -0.05 -0.06 1.76 1.28 -1.11 0.00 0.00 175.55 177.37 2fki n LEU 83 N -1.19 5.95 0.08 -1.29 4.77 -0.42 -4.52 117.00 120.38 2fki n LEU 83 Ca 0.02 -3.09 -0.11 0.00 -0.03 0.00 0.00 56.01 52.80 2fki n LEU 83 Cb 0.54 -0.74 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 2fki n LEU 83 CO 0.47 0.78 0.16 -0.78 -1.33 0.00 0.00 177.39 176.69 2fki h ASP 84 N 2.58 0.29 0.00 -1.43 3.58 -1.92 -3.17 116.42 116.34 2fki h ASP 84 Ca 0.26 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2fki h ASP 84 Cb 2.28 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 43.24 2fki h ASP 84 CO 0.72 1.11 0.00 0.61 -2.88 0.00 0.00 179.24 178.80 2fki n GLY 85 N 1.10 1.17 3.01 -0.78 0.00 -1.26 -4.86 105.19 103.57 2fki n GLY 85 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 0.05 -7.66 -4.70 1.61 7.64 -1.20 -4.97 113.62 104.40 2fki n SER 86 Ca 0.00 0.18 -0.38 0.00 1.01 0.00 0.00 58.87 59.68 2fki n SER 86 Cb 0.20 -5.05 -0.07 0.00 -1.01 0.00 0.00 64.21 58.29 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 -3.31 4.22 0.85 -3.43 1.43 -1.26 -5.07 118.68 112.11 2fki s LEU 87 Ca 0.14 0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 53.78 2fki s LEU 87 Cb -0.04 -2.58 0.10 0.00 0.03 0.00 0.00 46.19 43.70 2fki s LEU 87 CO 0.77 -0.02 1.09 -2.16 0.23 0.00 0.00 176.35 176.26 2fki s PRO 88 N 0.89 1.65 0.34 1.29 0.04 -1.26 -4.78 135.00 133.17 2fki s PRO 88 Ca 0.22 1.01 0.02 0.00 0.04 0.00 0.00 61.00 62.29 2fki s PRO 88 Cb -0.15 -1.84 0.62 0.00 0.04 0.00 0.00 34.50 33.17 2fki s PRO 88 CO 0.08 -2.02 2.00 0.38 0.04 0.00 0.00 177.00 177.48 2fki h ASP 89 N -1.40 0.74 -0.95 6.66 2.03 -1.98 -2.15 116.42 119.37 2fki h ASP 89 Ca -0.47 -0.02 0.14 0.00 -0.73 0.00 0.00 57.03 55.95 2fki h ASP 89 Cb 1.26 -0.19 -0.09 0.00 -0.83 0.00 0.00 39.33 39.48 2fki h ASP 89 CO 0.52 0.55 0.57 0.28 -1.03 0.00 0.00 179.24 180.13 2fki h SER 90 N 0.87 0.78 -0.08 4.15 0.02 -2.01 -0.38 113.55 116.90 2fki h SER 90 Ca 0.23 0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 61.14 2fki h SER 90 Cb -0.08 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.39 2fki h SER 90 CO -0.05 0.37 -0.39 -0.61 -1.14 0.00 0.00 176.83 175.01 2fki h GLN 91 N 0.84 0.41 -0.20 3.45 -0.00 -1.76 -3.26 115.11 114.58 2fki h GLN 91 Ca 0.50 -0.33 -0.05 0.00 -0.00 0.00 0.00 58.65 58.77 2fki h GLN 91 Cb 0.61 0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.15 2fki h GLN 91 CO -0.31 0.97 -0.08 0.82 0.00 0.00 0.00 178.83 180.22 2fki h ILE 92 N -0.05 1.17 -0.56 2.39 2.04 -1.13 -2.66 117.51 118.71 2fki h ILE 92 Ca -0.03 -0.74 0.08 0.00 1.00 0.00 0.00 64.86 65.17 2fki h ILE 92 Cb 1.04 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 38.17 2fki h ILE 92 CO 0.08 0.24 0.21 1.88 0.00 0.00 0.00 178.15 180.56 2fki h TYR 93 N 0.30 0.37 -0.49 1.37 0.05 -1.13 -1.99 116.97 115.45 2fki h TYR 93 Ca 0.06 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 2fki h TYR 93 Cb 0.34 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 2fki h TYR 93 CO 0.01 0.11 0.25 -0.92 -1.05 0.00 0.00 178.16 176.56 2fki h TYR 94 N 0.40 0.69 -0.86 4.88 3.20 -1.59 -0.19 116.97 123.50 2fki h TYR 94 Ca 0.27 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.19 2fki h TYR 94 Cb 0.31 -0.22 -0.07 0.00 1.54 0.00 0.00 36.73 38.29 2fki h TYR 94 CO -0.16 0.54 0.53 -0.07 -1.64 0.00 0.00 178.16 177.36 2fki h LEU 95 N 0.65 0.81 0.05 2.82 3.38 -1.35 0.19 115.31 121.87 2fki h LEU 95 Ca 0.17 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 2fki h LEU 95 Cb 0.09 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.71 2fki h LEU 95 CO -0.02 0.51 -0.63 0.58 0.09 0.00 0.00 178.44 178.96 2fki h VAL 96 N 0.94 1.48 -0.15 1.22 2.07 -1.19 -3.20 116.25 117.43 2fki h VAL 96 Ca 0.39 -2.25 -0.17 0.00 0.82 0.00 0.00 66.70 65.49 2fki h VAL 96 Cb 0.23 2.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2fki h VAL 96 CO -0.19 0.64 -0.62 -0.78 0.02 0.00 0.00 177.57 176.64 2fki h ASP 97 N -0.27 0.59 -0.48 0.57 3.58 -0.70 -1.81 116.42 117.90 2fki h ASP 97 Ca -0.09 -0.34 -0.11 0.00 0.42 0.00 0.00 57.03 56.91 2fki h ASP 97 Cb 1.40 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2fki h ASP 97 CO 0.12 1.06 -0.13 0.00 -2.88 0.00 0.00 179.24 177.42 2fki h ALA 98 N 0.94 0.66 -0.29 -0.78 0.00 -0.77 -0.88 119.26 118.15 2fki h ALA 98 Ca -0.01 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 2fki h ALA 98 Cb 1.18 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2fki h ALA 98 CO 0.11 0.58 -0.49 0.66 0.00 0.00 0.00 179.25 180.11 2fki h SER 99 N 0.78 0.88 -0.71 0.00 4.64 -1.53 -1.77 113.55 115.83 2fki h SER 99 Ca 0.12 -0.44 0.04 0.00 -0.47 0.00 0.00 61.79 61.04 2fki h SER 99 Cb 0.68 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 62.47 2fki h SER 99 CO 0.05 1.21 0.44 0.22 -0.87 0.00 0.00 176.83 177.88 2fki h TYR 100 N 0.63 0.82 -0.21 4.77 3.20 -1.22 -0.83 116.97 124.13 2fki h TYR 100 Ca 0.03 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.95 2fki h TYR 100 Cb 1.07 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 2fki h TYR 100 CO 0.06 0.45 0.04 0.37 -1.64 0.00 0.00 178.16 177.44 2fki h GLN 101 N 0.84 0.11 0.03 1.82 5.75 -0.88 -2.00 115.11 120.79 2fki h GLN 101 Ca 0.30 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.82 2fki h GLN 101 Cb 0.07 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.54 2fki h GLN 101 CO -0.13 0.08 -0.30 1.96 -2.65 0.00 0.00 178.83 177.79 2fki h GLN 102 N 0.12 -0.45 -0.39 1.69 4.20 -0.86 -2.12 115.11 117.29 2fki h GLN 102 Ca 0.10 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.90 2fki h GLN 102 Cb 0.10 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 27.92 2fki h GLN 102 CO -0.13 -0.30 0.05 0.00 -0.67 0.00 0.00 178.83 177.77 2fki h ALA 103 N 0.26 0.39 -0.72 3.87 0.00 -0.89 0.16 119.26 122.33 2fki h ALA 103 Ca 0.05 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2fki h ALA 103 Cb 0.54 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2fki h ALA 103 CO -0.23 -0.36 0.30 0.28 0.00 0.00 0.00 179.25 179.24 2fki h VAL 104 N 0.16 1.25 0.00 0.00 2.07 -1.25 -2.50 116.25 115.98 2fki h VAL 104 Ca 0.19 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 2fki h VAL 104 Cb 0.24 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2fki h VAL 104 CO -0.28 0.31 -0.35 0.78 0.02 0.00 0.00 177.57 178.05 2fki h ASN 105 N 1.02 0.00 1.35 0.57 4.21 -0.74 -2.74 115.58 119.26 2fki h ASN 105 Ca 0.24 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.72 2fki h ASN 105 Cb 0.19 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.39 2fki h ASN 105 CO -0.02 0.35 -0.12 -0.07 -1.29 0.00 0.00 177.43 176.27 2fki h LEU 106 N 0.00 0.00 -9.97 1.61 3.38 -0.56 -3.45 115.31 106.32 2fki h LEU 106 Ca -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 2fki h LEU 106 Cb 0.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2fki h LEU 106 CO 0.04 0.12 0.36 -0.76 0.09 0.00 0.00 178.44 178.30 2fki s LEU 107 N -6.38 4.13 0.78 1.67 1.43 -1.03 -5.03 118.68 114.25 2fki s LEU 107 Ca 0.03 1.82 -0.13 0.00 -1.03 0.00 0.00 54.13 54.82 2fki s LEU 107 Cb 0.08 -4.27 0.07 0.00 0.03 0.00 0.00 46.19 42.10 2fki s LEU 107 CO 0.63 -0.29 1.19 -2.84 0.23 0.00 0.00 176.35 175.27 2fki s PRO 108 N -2.61 1.83 0.26 1.29 0.02 -1.26 -4.63 135.00 129.91 2fki s PRO 108 Ca 0.57 1.68 -0.01 0.00 0.02 0.00 0.00 61.00 63.25 2fki s PRO 108 Cb -0.16 -1.81 0.58 0.00 0.02 0.00 0.00 34.50 33.13 2fki s PRO 108 CO 0.20 -2.05 1.69 0.93 -0.33 0.00 0.00 177.00 177.45 2fki h GLU 109 N -0.78 0.33 -0.42 5.54 4.39 -1.95 0.14 114.58 121.83 2fki h GLU 109 Ca -0.46 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.30 2fki h GLU 109 Cb 1.29 -0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 29.77 2fki h GLU 109 CO 0.48 0.22 -0.25 1.49 -1.16 0.00 0.00 179.01 179.79 2fki h GLU 110 N 0.34 -0.17 0.02 2.33 4.22 -2.01 0.16 114.58 119.49 2fki h GLU 110 Ca 0.48 0.01 -0.25 0.00 0.08 0.00 0.00 59.36 59.68 2fki h GLU 110 Cb 0.85 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.15 2fki h GLU 110 CO -0.51 -0.11 -1.01 0.87 -2.18 0.00 0.00 179.01 176.06 2fki h LYS 111 N -0.17 0.49 -0.62 1.92 6.56 -1.70 -3.28 116.57 119.77 2fki h LYS 111 Ca 0.20 -0.56 -0.02 0.00 -1.06 0.00 0.00 60.65 59.21 2fki h LYS 111 Cb 0.48 0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 32.28 2fki h LYS 111 CO -0.52 1.19 0.30 -0.09 -2.06 0.00 0.00 179.45 178.27 2fki h ARG 112 N 0.27 0.87 -0.15 3.15 1.12 0.12 -1.64 114.38 118.11 2fki h ARG 112 Ca -0.11 -0.11 -0.01 0.00 -1.11 0.00 0.00 59.98 58.65 2fki h ARG 112 Cb 1.66 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 31.45 2fki h ARG 112 CO 0.18 0.67 0.05 0.87 -3.11 0.00 0.00 179.97 178.63 2fki h LYS 113 N 0.87 0.24 -0.73 0.20 1.79 -0.80 -3.04 116.57 115.10 2fki h LYS 113 Ca 0.22 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2fki h LYS 113 Cb 0.08 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 2fki h LYS 113 CO -0.03 0.35 0.45 -0.07 -1.08 0.00 0.00 179.45 179.07 2fki h LEU 114 N 0.08 0.86 -1.24 2.94 3.38 -1.44 -2.00 115.31 117.88 2fki h LEU 114 Ca 0.05 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2fki h LEU 114 Cb 0.21 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2fki h LEU 114 CO -0.00 0.66 0.52 -0.07 0.09 0.00 0.00 178.44 179.63 2fki h LEU 115 N 0.99 0.89 -0.80 1.67 3.38 -1.33 -2.19 115.31 117.91 2fki h LEU 115 Ca 0.26 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.08 2fki h LEU 115 Cb -0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2fki h LEU 115 CO -0.05 0.64 -0.59 0.58 0.09 0.00 0.00 178.44 179.11 2fki h VAL 116 N 1.05 1.42 0.00 1.22 2.07 -1.26 -3.07 116.25 117.68 2fki h VAL 116 Ca 0.29 -2.03 -0.08 0.00 0.82 0.00 0.00 66.70 65.70 2fki h VAL 116 Cb -0.11 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2fki h VAL 116 CO -0.06 0.58 -0.38 1.56 0.02 0.00 0.00 177.57 179.28 2fki h GLN 117 N 0.02 0.00 0.00 1.57 1.08 -0.86 -3.52 115.11 113.40 2fki h GLN 117 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2fki h GLN 117 Cb 1.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 2fki h GLN 117 CO 0.08 0.38 0.00 1.28 -0.95 0.00 0.00 178.83 179.62