#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfe s ASN 2 N 0.00 5.42 -0.31 1.61 -0.87 -1.26 -5.09 114.94 114.44 1xfe s ASN 2 Ca 0.00 0.15 0.04 0.00 -1.57 0.00 0.00 52.86 51.48 1xfe s ASN 2 Cb 0.00 -1.67 0.09 0.00 -0.02 0.00 0.00 41.25 39.65 1xfe s ASN 2 CO 0.00 0.33 -0.00 -0.69 -2.57 0.00 0.00 177.10 174.16 1xfe s VAL 3 N -0.56 2.21 -0.20 1.60 1.01 -1.26 -5.09 120.40 118.11 1xfe s VAL 3 Ca 0.10 -2.09 -0.14 0.00 0.00 0.00 0.00 61.98 59.85 1xfe s VAL 3 Cb -0.12 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1xfe s VAL 3 CO 0.02 -0.41 0.29 0.28 0.00 0.00 0.00 175.10 175.28 1xfe s THR 4 N 0.98 5.28 0.05 3.92 -1.32 -1.26 -4.90 115.64 118.40 1xfe s THR 4 Ca 0.04 0.50 0.00 0.00 -1.21 0.00 0.00 61.69 61.02 1xfe s THR 4 Cb -0.19 -3.63 0.00 0.00 -1.51 0.00 0.00 72.50 67.17 1xfe s THR 4 CO -0.07 0.33 0.00 -0.11 -2.21 0.00 0.00 174.62 172.56 1xfe n LEU 5 N 4.09 0.00 -4.91 9.08 -0.00 -1.26 -5.11 117.00 118.89 1xfe n LEU 5 Ca -0.11 0.09 -0.28 0.00 -0.00 0.00 0.00 56.01 55.70 1xfe n LEU 5 Cb 0.52 0.06 -0.03 0.00 -0.00 0.00 0.00 43.42 43.97 1xfe n LEU 5 CO 0.39 -0.50 0.10 0.00 -0.00 0.00 0.00 177.39 177.38 1xfe s GLU 7 N -3.34 3.89 0.00 0.00 2.56 -1.26 -5.00 118.70 115.54 1xfe s GLU 7 Ca 0.41 -0.37 0.00 0.00 0.00 0.00 0.00 54.97 55.01 1xfe s GLU 7 Cb -0.11 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 32.70 1xfe s GLU 7 CO 0.29 0.07 0.00 0.41 -0.56 0.00 0.00 175.26 175.47 1xfe n GLY 8 N 4.17 3.49 0.22 -1.50 0.00 -1.26 -4.92 105.19 105.39 1xfe n GLY 8 Ca -0.16 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1xfe n GLY 8 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xfe h PRO 9 N 0.00 -0.35 -2.01 1.61 0.11 -2.03 -3.00 132.00 126.34 1xfe h PRO 9 Ca 0.00 0.02 -0.77 0.00 0.11 0.00 0.00 66.00 65.37 1xfe h PRO 9 Cb 0.00 0.08 -0.27 0.00 0.11 0.00 0.00 31.00 30.92 1xfe h PRO 9 CO 0.00 -0.24 1.03 0.27 -0.21 0.00 0.00 178.00 178.86 1xfe n ASN 10 N -5.30 7.47 -4.98 -2.05 6.94 -1.26 -4.99 115.26 111.09 1xfe n ASN 10 Ca -0.07 -3.83 -0.20 0.00 -0.02 0.00 0.00 54.58 50.46 1xfe n ASN 10 Cb 0.22 -1.06 -0.01 0.00 -2.36 0.00 0.00 39.78 36.56 1xfe n ASN 10 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1xfe s LYS 11 N -4.08 3.27 -0.13 -3.83 0.00 -1.14 -2.83 119.74 111.00 1xfe s LYS 11 Ca 0.51 -0.88 -0.14 0.00 0.00 0.00 0.00 55.97 55.46 1xfe s LYS 11 Cb 0.43 -2.85 0.04 0.00 0.00 0.00 0.00 37.83 35.45 1xfe s LYS 11 CO -0.40 0.22 0.38 0.12 0.00 0.00 0.00 175.35 175.68 1xfe s PHE 12 N -2.09 -0.40 -0.07 1.78 2.19 0.20 -4.61 117.98 114.97 1xfe s PHE 12 Ca 0.40 0.96 0.02 0.00 0.33 0.00 0.00 56.93 58.63 1xfe s PHE 12 Cb -0.09 0.14 0.02 0.00 -1.31 0.00 0.00 43.02 41.78 1xfe s PHE 12 CO 0.30 -0.23 -0.10 -1.59 1.83 0.00 0.00 175.22 175.44 1xfe s LYS 13 N 0.03 1.45 0.61 10.12 0.00 -1.26 0.21 119.74 130.90 1xfe s LYS 13 Ca -0.02 -0.31 -0.18 0.00 0.00 0.00 0.00 55.97 55.47 1xfe s LYS 13 Cb -0.03 -1.28 -0.02 0.00 0.00 0.00 0.00 37.83 36.50 1xfe s LYS 13 CO 0.01 -0.04 1.17 0.00 0.00 0.00 0.00 175.35 176.50 1xfe h HIS 15 N 0.64 0.17 -0.04 0.00 -0.00 -1.94 -0.97 115.15 113.01 1xfe h HIS 15 Ca -0.49 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 59.91 1xfe h HIS 15 Cb 1.28 0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.73 1xfe h HIS 15 CO 0.49 -0.19 -0.20 0.45 -0.00 0.00 0.00 177.93 178.48 1xfe n SER 16 N -5.25 2.20 -0.40 2.45 2.88 -1.26 -5.04 113.62 109.20 1xfe n SER 16 Ca 0.16 -3.46 0.00 0.00 -1.33 0.00 0.00 58.87 54.25 1xfe n SER 16 Cb 0.54 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1xfe n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xfe n GLY 17 N -1.23 7.09 0.00 0.46 0.00 -0.37 -4.92 105.19 106.22 1xfe n GLY 17 Ca 0.19 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1xfe n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xfe n GLU 18 N -0.00 1.61 -2.83 1.61 1.02 -1.26 -4.36 120.64 116.42 1xfe n GLU 18 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1xfe n GLU 18 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1xfe n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xfe s ILE 20 N -1.43 0.00 0.36 0.00 -4.36 0.58 -4.93 121.20 111.42 1xfe s ILE 20 Ca 0.45 -1.26 -0.26 0.00 -0.26 0.00 0.00 60.65 59.32 1xfe s ILE 20 Cb -0.21 -2.57 -0.09 0.00 1.25 0.00 0.00 42.46 40.84 1xfe s ILE 20 CO 0.26 0.00 1.11 -0.89 0.24 0.00 0.00 174.94 175.66 1xfe s THR 21 N -3.06 3.44 0.15 8.37 2.01 -1.26 0.59 115.64 125.88 1xfe s THR 21 Ca 0.21 1.25 0.14 0.00 0.31 0.00 0.00 61.69 63.60 1xfe s THR 21 Cb -0.03 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.77 1xfe s THR 21 CO 0.13 0.15 1.58 0.17 -0.69 0.00 0.00 174.62 175.97 1xfe h LEU 22 N 3.00 0.00 -0.06 4.42 8.10 -1.78 -3.35 115.31 125.65 1xfe h LEU 22 Ca -0.48 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.53 1xfe h LEU 22 Cb 1.22 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.40 1xfe h LEU 22 CO 0.64 0.58 -0.32 0.44 -4.11 0.00 0.00 178.44 175.66 1xfe h ASP 23 N 0.00 -1.02 0.00 0.17 3.32 -1.92 0.10 116.42 117.07 1xfe h ASP 23 Ca -0.01 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1xfe h ASP 23 Cb 1.17 0.40 0.00 0.00 0.22 0.00 0.00 39.33 41.12 1xfe h ASP 23 CO 0.07 -0.30 0.00 2.29 -1.72 0.00 0.00 179.24 179.59 1xfe n LYS 24 N -4.27 0.16 -1.70 3.56 -0.00 -1.25 -4.79 118.16 109.88 1xfe n LYS 24 Ca -0.04 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.85 1xfe n LYS 24 Cb 0.23 -1.05 -0.03 0.00 -0.00 0.00 0.00 35.03 34.18 1xfe n LYS 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1xfe n VAL 25 N 0.07 0.22 -3.48 0.58 0.31 0.36 -2.79 118.33 113.60 1xfe n VAL 25 Ca 0.00 -0.04 -0.23 0.00 -0.01 0.00 0.00 64.34 64.06 1xfe n VAL 25 Cb 0.03 -2.03 0.05 0.00 -0.91 0.00 0.00 33.84 30.97 1xfe n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xfe s ASN 27 N -3.38 4.09 0.07 0.00 4.22 -1.12 -5.00 114.94 113.82 1xfe s ASN 27 Ca 0.42 -0.20 -0.03 0.00 -2.14 0.00 0.00 52.86 50.91 1xfe s ASN 27 Cb -0.11 -1.01 0.11 0.00 1.28 0.00 0.00 41.25 41.51 1xfe s ASN 27 CO 0.81 0.32 0.43 0.23 -2.04 0.00 0.00 177.10 176.85 1xfe n MET 28 N 2.51 -0.04 -2.42 3.55 2.81 -1.26 -4.10 117.12 118.18 1xfe n MET 28 Ca -0.17 0.43 -0.41 0.00 -1.81 0.00 0.00 57.70 55.73 1xfe n MET 28 Cb 0.52 -0.64 -0.03 0.00 -0.71 0.00 0.00 33.22 32.36 1xfe n MET 28 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xfe s ALA 29 N -5.32 3.41 0.32 3.04 0.00 -1.26 -4.97 121.76 116.98 1xfe s ALA 29 Ca -0.04 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 1xfe s ALA 29 Cb 0.07 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.67 1xfe s ALA 29 CO 0.21 -0.34 1.54 -2.13 0.00 0.00 0.00 175.76 175.04 1xfe n ARG 30 N 2.71 2.63 -0.02 0.00 0.63 -1.26 -4.91 116.66 116.44 1xfe n ARG 30 Ca 0.05 0.93 -0.01 0.00 -0.92 0.00 0.00 57.85 57.90 1xfe n ARG 30 Cb 0.45 -2.68 -0.04 0.00 0.45 0.00 0.00 32.46 30.64 1xfe n ARG 30 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1xfe n ASP 31 N 1.56 3.66 -4.16 6.15 8.00 -1.26 -5.07 116.55 125.42 1xfe n ASP 31 Ca 0.06 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.34 1xfe n ASP 31 Cb 0.37 0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 42.17 1xfe n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xfe h ARG 33 N 2.01 0.36 0.00 0.00 9.65 -1.97 -3.33 114.38 121.10 1xfe h ARG 33 Ca -0.36 -0.61 0.00 0.00 -1.10 0.00 0.00 59.98 57.91 1xfe h ARG 33 Cb 1.26 0.23 0.00 0.00 -1.39 0.00 0.00 29.97 30.07 1xfe h ARG 33 CO 0.58 1.29 -0.22 -0.25 2.80 0.00 0.00 179.97 184.18 1xfe n ASP 34 N -3.67 0.26 -1.52 -3.80 9.92 -1.26 -4.92 116.55 111.56 1xfe n ASP 34 Ca -0.25 0.20 -0.17 0.00 -0.53 0.00 0.00 54.79 54.04 1xfe n ASP 34 Cb 1.03 -0.20 -0.05 0.00 -0.64 0.00 0.00 41.12 41.26 1xfe n ASP 34 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1xfe n TRP 35 N -1.57 -0.27 0.22 1.24 7.02 -1.25 -4.86 117.44 117.97 1xfe n TRP 35 Ca 0.06 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.61 1xfe n TRP 35 Cb 0.35 -3.10 0.52 0.00 -2.42 0.00 0.00 31.31 26.65 1xfe n TRP 35 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1xfe h SER 36 N 0.00 0.00 0.30 -0.99 0.87 -1.91 -2.38 113.55 109.44 1xfe h SER 36 Ca -0.37 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.03 1xfe h SER 36 Cb 1.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1xfe h SER 36 CO 0.50 0.24 -0.63 -0.78 -0.53 0.00 0.00 176.83 175.62 1xfe h ASP 37 N 0.00 0.36 -2.52 6.23 3.58 -1.92 -3.33 116.42 118.81 1xfe h ASP 37 Ca -0.00 -0.21 -0.73 0.00 0.42 0.00 0.00 57.03 56.51 1xfe h ASP 37 Cb 0.48 -0.10 -0.33 0.00 1.72 0.00 0.00 39.33 41.09 1xfe h ASP 37 CO 0.03 0.90 0.31 -0.62 -2.88 0.00 0.00 179.24 176.98 1xfe n GLU 38 N -3.87 4.03 -2.09 0.28 1.02 -0.90 -3.14 120.64 115.98 1xfe n GLU 38 Ca -0.03 -4.65 -0.39 0.00 -0.02 0.00 0.00 57.16 52.08 1xfe n GLU 38 Cb 0.64 -2.41 -0.03 0.00 -0.02 0.00 0.00 31.44 29.62 1xfe n GLU 38 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1xfe s PRO 39 N -3.10 2.67 0.27 3.49 0.04 -1.24 -4.86 135.00 132.28 1xfe s PRO 39 Ca 0.37 0.53 0.01 0.00 0.04 0.00 0.00 61.00 61.94 1xfe s PRO 39 Cb 0.13 -4.37 0.59 0.00 0.04 0.00 0.00 34.50 30.89 1xfe s PRO 39 CO 0.00 -2.69 1.75 0.82 0.04 0.00 0.00 177.00 176.93 1xfe h ILE 40 N 6.81 0.68 -0.06 0.56 2.04 -1.90 0.92 117.51 126.58 1xfe h ILE 40 Ca -0.26 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1xfe h ILE 40 Cb 1.15 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1xfe h ILE 40 CO 1.22 0.11 -0.17 0.11 0.00 0.00 0.00 178.15 179.42 1xfe h LYS 41 N 0.61 0.09 -0.03 2.37 1.57 -1.96 -2.21 116.57 117.01 1xfe h LYS 41 Ca 0.50 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1xfe h LYS 41 Cb 0.75 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1xfe h LYS 41 CO -0.39 0.26 -0.07 0.39 -0.57 0.00 0.00 179.45 179.07 1xfe n GLU 42 N -4.29 2.15 -3.43 3.15 -0.58 0.72 -4.58 120.64 113.77 1xfe n GLU 42 Ca -0.02 -1.79 -0.38 0.00 -0.42 0.00 0.00 57.16 54.56 1xfe n GLU 42 Cb 0.26 -1.46 -0.08 0.00 -0.57 0.00 0.00 31.44 29.59 1xfe n GLU 42 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xfe n GLY 44 N 4.00 0.63 3.56 0.00 0.00 -1.26 -4.89 105.19 107.23 1xfe n GLY 44 Ca -0.09 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1xfe n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xfe s THR 45 N -1.71 3.66 -1.24 2.61 2.01 -1.26 -4.90 115.64 114.81 1xfe s THR 45 Ca 0.00 0.47 -0.16 0.00 0.31 0.00 0.00 61.69 62.32 1xfe s THR 45 Cb 0.00 -4.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 1xfe s THR 45 CO 0.00 -1.31 2.20 -3.20 -0.69 0.00 0.00 174.62 171.63 1xfe n ASN 46 N 10.30 3.97 0.07 3.53 2.85 -1.26 -4.56 115.26 130.16 1xfe n ASN 46 Ca 0.12 -2.74 -0.04 0.00 -0.11 0.00 0.00 54.58 51.81 1xfe n ASN 46 Cb 0.50 -1.46 -0.08 0.00 1.24 0.00 0.00 39.78 39.98 1xfe n ASN 46 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1xfe h GLU 47 N 6.48 0.00 0.00 1.20 5.08 -1.96 -3.24 114.58 122.15 1xfe h GLU 47 Ca 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 1xfe h GLU 47 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1xfe h GLU 47 CO 1.88 0.72 0.00 0.00 -1.00 0.00 0.00 179.01 180.60 1xfe n LEU 49 N -1.20 0.20 0.03 0.00 4.77 -1.26 0.19 117.00 119.73 1xfe n LEU 49 Ca 0.00 0.49 0.02 0.00 -0.03 0.00 0.00 56.01 56.49 1xfe n LEU 49 Cb 0.00 -0.49 0.09 0.00 -2.33 0.00 0.00 43.42 40.70 1xfe n LEU 49 CO 0.00 -0.56 0.55 -0.67 -1.33 0.00 0.00 177.39 175.38 1xfe n ASP 50 N -1.74 0.09 0.00 -1.43 2.03 -1.00 -4.70 116.55 109.81 1xfe n ASP 50 Ca -0.01 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.84 1xfe n ASP 50 Cb 0.18 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 1xfe n ASP 50 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1xfe n ASN 51 N -1.61 0.00 0.09 1.67 6.94 -0.84 -5.00 115.26 116.51 1xfe n ASN 51 Ca -0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.38 1xfe n ASN 51 Cb 0.01 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.29 1xfe n ASN 51 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1xfe h ASN 52 N 0.00 0.45 0.00 0.53 -1.07 -1.84 -3.43 115.58 110.22 1xfe h ASN 52 Ca 0.00 -0.55 -0.02 0.00 0.07 0.00 0.00 56.30 55.80 1xfe h ASN 52 Cb 0.00 -0.15 -0.02 0.00 -2.07 0.00 0.00 38.32 36.09 1xfe h ASN 52 CO 0.00 1.45 -0.04 0.61 0.07 0.00 0.00 177.43 179.52 1xfe n GLY 53 N 1.63 -0.23 4.00 9.14 0.00 -1.25 -4.77 105.19 113.70 1xfe n GLY 53 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1xfe n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfe n GLY 54 N 0.00 1.04 1.89 -0.02 0.00 0.50 -0.93 105.19 107.67 1xfe n GLY 54 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1xfe n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfe n SER 56 N -3.01 -3.45 0.00 0.00 2.88 -1.24 -3.78 113.62 105.03 1xfe n SER 56 Ca 0.00 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1xfe n SER 56 Cb 0.03 3.24 0.00 0.00 -0.75 0.00 0.00 64.21 66.73 1xfe n SER 56 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1xfe n HIS 57 N -3.46 0.00 -3.89 0.66 8.25 -1.26 -3.97 115.22 111.55 1xfe n HIS 57 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 1xfe n HIS 57 Cb 0.00 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 1xfe n HIS 57 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1xfe s VAL 58 N -0.94 1.13 -0.11 1.59 -7.23 -1.17 -4.32 120.40 109.34 1xfe s VAL 58 Ca 0.00 -0.69 0.01 0.00 -1.81 0.00 0.00 61.98 59.49 1xfe s VAL 58 Cb 0.00 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.60 1xfe s VAL 58 CO 0.00 0.09 -0.16 0.00 -0.31 0.00 0.00 175.10 174.72 1xfe s ASN 60 N 0.20 6.21 -0.44 0.00 4.22 -0.40 -4.60 114.94 120.13 1xfe s ASN 60 Ca -0.10 -0.47 -0.24 0.00 -2.14 0.00 0.00 52.86 49.91 1xfe s ASN 60 Cb -0.16 -2.23 0.02 0.00 1.28 0.00 0.00 41.25 40.17 1xfe s ASN 60 CO 0.06 -0.53 0.81 -0.62 -2.04 0.00 0.00 177.10 174.78 1xfe s ASP 61 N 1.80 6.44 0.25 3.54 -1.08 -1.26 -1.28 116.67 125.08 1xfe s ASP 61 Ca 0.13 -0.02 -0.01 0.00 -0.52 0.00 0.00 52.55 52.13 1xfe s ASP 61 Cb -0.17 -2.40 -0.04 0.00 -1.46 0.00 0.00 42.92 38.85 1xfe s ASP 61 CO 0.14 -0.93 0.45 -0.76 0.52 0.00 0.00 175.17 174.59 1xfe s LEU 62 N 3.37 4.16 0.67 -1.34 1.43 -0.82 -4.92 118.68 121.23 1xfe s LEU 62 Ca 0.32 0.45 0.44 0.00 -1.03 0.00 0.00 54.13 54.30 1xfe s LEU 62 Cb -0.12 -3.25 2.38 0.00 0.03 0.00 0.00 46.19 45.23 1xfe s LEU 62 CO 0.23 -0.12 2.34 0.07 0.23 0.00 0.00 176.35 179.10 1xfe h LYS 63 N 1.65 0.00 -0.04 1.70 -0.00 -1.95 -1.69 116.57 116.23 1xfe h LYS 63 Ca -0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.14 1xfe h LYS 63 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.42 1xfe h LYS 63 CO 0.66 0.00 -0.39 1.51 -0.00 0.00 0.00 179.45 181.23 1xfe n ILE 64 N -3.07 2.22 0.00 0.07 0.13 -1.25 -3.21 119.36 114.24 1xfe n ILE 64 Ca -0.03 -3.07 0.00 0.00 -1.10 0.00 0.00 62.75 58.55 1xfe n ILE 64 Cb 0.10 -0.25 0.00 0.00 -0.84 0.00 0.00 39.64 38.65 1xfe n ILE 64 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1xfe n GLY 65 N -1.15 4.20 3.88 4.50 0.00 -0.64 -5.12 105.19 110.87 1xfe n GLY 65 Ca 0.20 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 1xfe n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xfe s TYR 66 N -0.84 3.59 0.34 1.61 -0.85 -1.26 -1.95 117.35 117.99 1xfe s TYR 66 Ca 0.00 0.54 0.07 0.00 -0.52 0.00 0.00 57.07 57.16 1xfe s TYR 66 Cb 0.00 -1.96 -0.07 0.00 0.38 0.00 0.00 41.96 40.31 1xfe s TYR 66 CO 0.00 0.67 -0.04 -1.83 -1.52 0.00 0.00 175.55 172.83 1xfe s GLU 67 N -1.48 1.76 -0.12 -3.49 1.03 -0.41 -4.92 118.70 111.07 1xfe s GLU 67 Ca 0.23 -1.94 -0.10 0.00 0.03 0.00 0.00 54.97 53.19 1xfe s GLU 67 Cb -0.13 -1.42 -0.05 0.00 -0.80 0.00 0.00 34.13 31.73 1xfe s GLU 67 CO 0.12 0.02 0.21 0.00 -1.33 0.00 0.00 175.26 174.28 1xfe s LEU 69 N -0.49 2.53 0.00 0.00 1.43 0.30 -4.89 118.68 117.56 1xfe s LEU 69 Ca 0.15 -0.98 -0.29 0.00 -1.03 0.00 0.00 54.13 51.98 1xfe s LEU 69 Cb -0.13 -0.75 0.10 0.00 0.03 0.00 0.00 46.19 45.44 1xfe s LEU 69 CO 0.04 -0.12 1.02 0.00 0.23 0.00 0.00 176.35 177.53 1xfe n PRO 71 N -0.31 1.05 -0.81 0.00 -0.04 -1.26 -4.88 135.00 128.75 1xfe n PRO 71 Ca -0.06 0.38 -0.33 0.00 -0.04 0.00 0.00 63.50 63.44 1xfe n PRO 71 Cb 0.61 -1.89 0.11 0.00 -0.04 0.00 0.00 33.50 32.29 1xfe n PRO 71 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xfe n ASP 72 N 0.57 -2.72 0.00 3.54 -0.08 -1.26 -2.60 116.55 114.01 1xfe n ASP 72 Ca 0.11 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.63 1xfe n ASP 72 Cb 0.40 -1.10 0.00 0.00 2.34 0.00 0.00 41.12 42.77 1xfe n ASP 72 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xfe n GLY 73 N 1.89 0.14 3.62 0.27 0.00 -1.26 -4.98 105.19 104.88 1xfe n GLY 73 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1xfe n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xfe s PHE 74 N -1.30 3.01 -0.38 1.61 0.40 -1.07 -5.07 117.98 115.17 1xfe s PHE 74 Ca 0.00 0.07 -0.12 0.00 -0.60 0.00 0.00 56.93 56.27 1xfe s PHE 74 Cb 0.00 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.84 1xfe s PHE 74 CO 0.00 0.39 0.24 -1.14 0.70 0.00 0.00 175.22 175.41 1xfe s GLN 75 N -0.97 2.91 -0.38 0.44 0.74 -1.26 -4.85 119.66 116.30 1xfe s GLN 75 Ca 0.14 -1.03 -0.29 0.00 0.05 0.00 0.00 55.36 54.23 1xfe s GLN 75 Cb -0.11 -3.82 0.01 0.00 1.10 0.00 0.00 33.01 30.19 1xfe s GLN 75 CO 0.03 -0.70 1.37 -1.17 -0.55 0.00 0.00 175.29 174.27 1xfe s LEU 76 N 1.61 3.67 0.08 3.68 2.96 -1.26 -1.40 118.68 128.02 1xfe s LEU 76 Ca 0.03 0.92 -0.30 0.00 -0.22 0.00 0.00 54.13 54.56 1xfe s LEU 76 Cb -0.19 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1xfe s LEU 76 CO 0.08 -1.33 0.99 -0.69 -1.32 0.00 0.00 176.35 174.08 1xfe s VAL 77 N 5.10 4.54 0.16 1.68 1.01 0.33 -4.84 120.40 128.38 1xfe s VAL 77 Ca 0.59 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.57 1xfe s VAL 77 Cb -0.14 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1xfe s VAL 77 CO 0.30 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.65 1xfe n ALA 78 N 3.17 -2.30 -0.96 5.51 0.00 -1.26 -0.89 120.51 123.77 1xfe n ALA 78 Ca 0.04 0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.51 1xfe n ALA 78 Cb 0.49 -0.75 0.04 0.00 0.00 0.00 0.00 19.45 19.23 1xfe n ALA 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xfe n GLN 79 N -2.55 1.93 -0.44 0.00 3.00 -1.26 -3.89 117.38 114.17 1xfe n GLN 79 Ca 0.00 -1.79 -0.01 0.00 -0.01 0.00 0.00 57.00 55.19 1xfe n GLN 79 Cb 0.32 -1.71 -0.01 0.00 0.00 0.00 0.00 30.24 28.84 1xfe n GLN 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1xfe n ARG 80 N 0.21 0.00 -3.83 -1.09 5.12 -1.23 -4.68 116.66 111.15 1xfe n ARG 80 Ca 0.34 -0.15 -0.12 0.00 -1.93 0.00 0.00 57.85 55.99 1xfe n ARG 80 Cb 0.59 0.32 -0.12 0.00 -1.16 0.00 0.00 32.46 32.08 1xfe n ARG 80 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1xfe s ARG 81 N 0.00 0.19 0.13 5.56 6.06 -0.06 -3.85 118.95 126.97 1xfe s ARG 81 Ca 0.00 0.11 0.11 0.00 -2.50 0.00 0.00 55.73 53.45 1xfe s ARG 81 Cb 0.00 0.09 -0.04 0.00 0.06 0.00 0.00 34.95 35.06 1xfe s ARG 81 CO 0.00 -0.03 -0.26 0.00 -2.50 0.00 0.00 175.30 172.51