#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 1.38 0.04 1.61 -0.87 -1.26 -5.15 114.94 110.69 1xfe s ASN 2 Ca 0.00 -0.66 -0.17 0.00 -1.57 0.00 0.00 52.86 50.46 1xfe s ASN 2 Cb 0.00 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.25 41.16 1xfe s ASN 2 CO 0.00 -0.17 0.50 0.68 -2.57 0.00 0.00 177.10 175.55 1xfe s VAL 3 N -1.65 4.87 -0.03 1.60 -7.23 -1.26 -5.08 120.40 111.62 1xfe s VAL 3 Ca -0.02 1.06 0.06 0.00 -1.81 0.00 0.00 61.98 61.26 1xfe s VAL 3 Cb -0.08 -3.82 -0.01 0.00 0.56 0.00 0.00 36.38 33.03 1xfe s VAL 3 CO 0.01 0.55 -0.21 0.42 -0.31 0.00 0.00 175.10 175.57 1xfe s THR 4 N -1.01 1.67 0.00 5.32 -4.23 -1.26 -4.96 115.64 111.17 1xfe s THR 4 Ca 0.27 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1xfe s THR 4 Cb -0.18 -1.41 0.00 0.00 1.34 0.00 0.00 72.50 72.25 1xfe s THR 4 CO 0.16 0.47 0.00 0.18 -0.54 0.00 0.00 174.62 174.90 1xfe n LEU 5 N 2.85 0.00 0.00 4.79 4.77 -1.26 -5.03 117.00 123.13 1xfe n LEU 5 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1xfe n LEU 5 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1xfe n LEU 5 CO 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.30 1xfe s GLU 7 N 0.00 0.19 0.20 0.00 2.12 -1.26 -4.98 118.70 114.97 1xfe s GLU 7 Ca 0.00 0.13 -0.22 0.00 0.36 0.00 0.00 54.97 55.24 1xfe s GLU 7 Cb 0.00 -0.44 0.05 0.00 0.26 0.00 0.00 34.13 34.01 1xfe s GLU 7 CO 0.00 -0.17 0.64 0.20 -0.54 0.00 0.00 175.26 175.39 1xfe s GLY 8 N 1.17 -0.45 0.06 -1.50 0.00 -1.26 -5.02 107.32 100.31 1xfe s GLY 8 Ca -0.08 0.24 -0.28 0.00 0.00 0.00 0.00 44.72 44.60 1xfe s GLY 8 CO -0.02 0.08 1.54 -0.56 0.00 0.00 0.00 173.10 174.14 1xfe h PRO 9 N 2.00 -0.52 -0.95 2.90 0.13 -2.03 -3.07 132.00 130.45 1xfe h PRO 9 Ca -0.29 0.04 -0.54 0.00 -0.87 0.00 0.00 66.00 64.33 1xfe h PRO 9 Cb 1.29 0.12 -0.29 0.00 0.13 0.00 0.00 31.00 32.25 1xfe h PRO 9 CO 0.33 -0.29 0.65 0.27 -0.23 0.00 0.00 178.00 178.72 1xfe n ASN 10 N -5.28 4.77 -4.96 1.44 6.94 -1.26 -4.97 115.26 111.94 1xfe n ASN 10 Ca -0.11 -3.67 -0.23 0.00 -0.02 0.00 0.00 54.58 50.55 1xfe n ASN 10 Cb 0.26 -0.86 -0.02 0.00 -2.36 0.00 0.00 39.78 36.80 1xfe n ASN 10 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1xfe s LYS 11 N -3.45 3.46 -0.03 -3.83 2.20 -1.16 -3.10 119.74 113.83 1xfe s LYS 11 Ca 0.58 -0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 55.56 1xfe s LYS 11 Cb 0.48 -2.85 0.01 0.00 -1.51 0.00 0.00 37.83 33.96 1xfe s LYS 11 CO 0.07 0.38 0.08 0.12 -0.36 0.00 0.00 175.35 175.64 1xfe s PHE 12 N -2.01 -0.06 -0.20 4.03 2.19 0.34 -4.57 117.98 117.70 1xfe s PHE 12 Ca 0.36 0.16 -0.04 0.00 0.33 0.00 0.00 56.93 57.74 1xfe s PHE 12 Cb -0.10 0.01 -0.02 0.00 -1.31 0.00 0.00 43.02 41.61 1xfe s PHE 12 CO 0.30 -0.07 -0.03 -1.59 1.83 0.00 0.00 175.22 175.67 1xfe s LYS 13 N -0.15 3.51 0.60 10.12 -2.85 -1.26 0.90 119.74 130.61 1xfe s LYS 13 Ca -0.02 -0.57 -0.10 0.00 -1.00 0.00 0.00 55.97 54.28 1xfe s LYS 13 Cb -0.02 -3.01 0.15 0.00 -2.06 0.00 0.00 37.83 32.89 1xfe s LYS 13 CO 0.00 -0.04 0.42 0.00 0.10 0.00 0.00 175.35 175.83 1xfe h HIS 15 N -2.43 0.69 0.00 0.00 2.76 -1.93 -3.20 115.15 111.05 1xfe h HIS 15 Ca -0.18 -0.49 0.00 0.00 -2.20 0.00 0.00 60.37 57.51 1xfe h HIS 15 Cb 0.57 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.49 1xfe h HIS 15 CO 0.00 1.37 0.00 0.45 -1.30 0.00 0.00 177.93 178.45 1xfe n SER 16 N -3.63 0.00 0.00 3.26 2.88 -1.26 -4.85 113.62 110.02 1xfe n SER 16 Ca -0.11 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1xfe n SER 16 Cb 1.03 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 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 0.74 1.63 0.96 0.46 0.00 -1.21 -5.11 105.19 102.66 1xfe n GLY 17 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.34 0.27 -3.75 1.61 -0.58 -1.26 -4.82 120.64 110.77 1xfe n GLU 18 Ca 0.00 -0.64 -0.19 0.00 -0.42 0.00 0.00 57.16 55.91 1xfe n GLU 18 Cb 0.00 -0.20 -0.17 0.00 -0.57 0.00 0.00 31.44 30.49 1xfe n GLU 18 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xfe s ILE 20 N 1.77 0.00 0.07 0.00 -5.25 0.26 -4.96 121.20 113.09 1xfe s ILE 20 Ca 0.00 -1.90 -0.13 0.00 -0.99 0.00 0.00 60.65 57.63 1xfe s ILE 20 Cb -0.12 -2.51 -0.06 0.00 2.95 0.00 0.00 42.46 42.71 1xfe s ILE 20 CO -0.03 0.00 0.46 0.42 -1.79 0.00 0.00 174.94 173.99 1xfe s THR 21 N -3.60 4.98 0.47 8.37 -4.23 -1.26 0.13 115.64 120.49 1xfe s THR 21 Ca 0.37 0.73 0.27 0.00 -1.18 0.00 0.00 61.69 61.89 1xfe s THR 21 Cb 0.03 -3.71 0.30 0.00 1.34 0.00 0.00 72.50 70.46 1xfe s THR 21 CO 0.21 0.39 2.12 0.17 -0.54 0.00 0.00 174.62 176.97 1xfe h LEU 22 N 4.05 0.00 -0.01 4.79 8.10 -1.79 -3.27 115.31 127.18 1xfe h LEU 22 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.49 1xfe h LEU 22 Cb 1.20 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.42 1xfe h LEU 22 CO 0.64 0.09 -0.04 0.44 -4.11 0.00 0.00 178.44 175.46 1xfe h ASP 23 N 0.00 -0.13 0.00 0.17 5.19 -1.93 -1.18 116.42 118.53 1xfe h ASP 23 Ca -0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1xfe h ASP 23 Cb 0.23 0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.79 1xfe h ASP 23 CO 0.01 -0.04 0.00 2.29 -3.12 0.00 0.00 179.24 178.38 1xfe n LYS 24 N -2.76 0.61 -1.77 3.56 -0.00 -1.23 -4.85 118.16 111.72 1xfe n LYS 24 Ca -0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.89 1xfe n LYS 24 Cb 0.03 -1.17 -0.01 0.00 -0.00 0.00 0.00 35.03 33.88 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 -0.67 1.61 -3.28 0.58 0.31 -0.45 -2.40 118.33 114.02 1xfe n VAL 25 Ca 0.05 -0.40 -0.17 0.00 -0.01 0.00 0.00 64.34 63.81 1xfe n VAL 25 Cb 0.02 -1.98 0.06 0.00 -0.91 0.00 0.00 33.84 31.03 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 -3.46 5.33 0.19 0.00 4.22 -1.01 -4.98 114.94 115.23 1xfe s ASN 27 Ca 0.34 0.08 0.11 0.00 -2.14 0.00 0.00 52.86 51.24 1xfe s ASN 27 Cb -0.15 -1.75 0.70 0.00 1.28 0.00 0.00 41.25 41.33 1xfe s ASN 27 CO 0.56 0.26 0.83 1.15 -2.04 0.00 0.00 177.10 177.86 1xfe n MET 28 N 2.94 -0.03 -2.39 3.55 0.00 -1.26 -4.33 117.12 115.60 1xfe n MET 28 Ca -0.18 0.72 -0.31 0.00 0.00 0.00 0.00 57.70 57.94 1xfe n MET 28 Cb 0.53 -1.30 -0.02 0.00 0.00 0.00 0.00 33.22 32.43 1xfe n MET 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xfe s ALA 29 N -4.81 3.17 0.36 3.17 0.00 -1.26 -5.00 121.76 117.38 1xfe s ALA 29 Ca -0.05 -0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.60 1xfe s ALA 29 Cb 0.18 -2.97 -0.12 0.00 0.00 0.00 0.00 23.12 20.21 1xfe s ALA 29 CO 0.41 -0.31 1.25 0.54 0.00 0.00 0.00 175.76 177.64 1xfe n ARG 30 N -1.87 1.98 -0.11 0.00 5.12 -1.26 -4.95 116.66 115.56 1xfe n ARG 30 Ca 0.05 0.70 -0.20 0.00 -1.93 0.00 0.00 57.85 56.47 1xfe n ARG 30 Cb 0.54 -2.28 -0.07 0.00 -1.16 0.00 0.00 32.46 29.49 1xfe n ARG 30 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1xfe n ASP 31 N 0.68 1.93 -0.74 0.55 -0.08 -1.26 -5.04 116.55 112.59 1xfe n ASP 31 Ca 0.06 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.70 1xfe n ASP 31 Cb 0.37 -0.81 0.00 0.00 2.34 0.00 0.00 41.12 43.02 1xfe n ASP 31 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xfe h ARG 33 N 0.00 0.58 -0.30 0.00 1.12 -2.03 -2.73 114.38 111.03 1xfe h ARG 33 Ca 0.00 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 1xfe h ARG 33 Cb 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 29.83 1xfe h ARG 33 CO 0.00 0.39 0.00 -0.25 -3.11 0.00 0.00 179.97 177.00 1xfe n ASP 34 N -4.82 2.81 -2.80 -3.80 8.00 -1.26 -4.99 116.55 109.69 1xfe n ASP 34 Ca 0.05 -1.89 -0.04 0.00 0.71 0.00 0.00 54.79 53.63 1xfe n ASP 34 Cb 0.12 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.01 1xfe n ASP 34 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1xfe n TRP 35 N 0.65 -0.14 1.13 1.24 4.27 -1.03 -4.70 117.44 118.86 1xfe n TRP 35 Ca 0.12 0.06 0.13 0.00 -3.89 0.00 0.00 57.50 53.92 1xfe n TRP 35 Cb 0.42 -0.31 0.50 0.00 -1.36 0.00 0.00 31.31 30.56 1xfe n TRP 35 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1xfe n SER 36 N 0.00 0.30 0.00 -0.67 2.88 -1.26 -3.55 113.62 111.33 1xfe n SER 36 Ca -0.03 -0.08 0.09 0.00 -1.33 0.00 0.00 58.87 57.52 1xfe n SER 36 Cb 0.08 -0.13 0.44 0.00 -0.75 0.00 0.00 64.21 63.84 1xfe n SER 36 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1xfe n ASP 37 N -1.32 0.00 -3.62 -3.46 5.68 -1.26 -3.91 116.55 108.66 1xfe n ASP 37 Ca 0.09 0.31 -0.36 0.00 -0.50 0.00 0.00 54.79 54.33 1xfe n ASP 37 Cb 0.32 -0.42 -0.02 0.00 -1.14 0.00 0.00 41.12 39.86 1xfe n ASP 37 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1xfe n GLU 38 N -1.42 4.09 -2.14 0.11 1.02 -1.23 -4.09 120.64 116.98 1xfe n GLU 38 Ca 0.06 -4.66 -0.39 0.00 -0.02 0.00 0.00 57.16 52.15 1xfe n GLU 38 Cb 0.20 -2.40 -0.03 0.00 -0.02 0.00 0.00 31.44 29.18 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 -3.21 2.78 0.44 3.49 0.04 -1.25 -4.85 135.00 132.43 1xfe s PRO 39 Ca 0.38 0.49 0.20 0.00 0.04 0.00 0.00 61.00 62.11 1xfe s PRO 39 Cb 0.14 -4.33 1.15 0.00 0.04 0.00 0.00 34.50 31.50 1xfe s PRO 39 CO -0.01 -2.56 1.85 0.82 0.04 0.00 0.00 177.00 177.13 1xfe h ILE 40 N 6.71 0.64 0.01 0.56 2.04 -1.95 1.02 117.51 126.54 1xfe h ILE 40 Ca -0.27 -0.11 -0.22 0.00 1.00 0.00 0.00 64.86 65.26 1xfe h ILE 40 Cb 1.14 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1xfe h ILE 40 CO 1.22 0.06 -0.93 0.50 0.00 0.00 0.00 178.15 179.00 1xfe h LYS 41 N 0.34 0.33 -0.02 2.37 3.64 -1.97 -3.19 116.57 118.06 1xfe h LYS 41 Ca 0.47 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1xfe h LYS 41 Cb 1.30 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1xfe h LYS 41 CO -0.16 1.05 -0.06 0.39 -2.27 0.00 0.00 179.45 178.40 1xfe n GLU 42 N -3.71 1.85 -0.08 1.90 4.71 0.16 -4.12 120.64 121.35 1xfe n GLU 42 Ca -0.06 -1.35 -0.09 0.00 -0.01 0.00 0.00 57.16 55.65 1xfe n GLU 42 Cb 0.83 -1.47 -0.05 0.00 -1.01 0.00 0.00 31.44 29.74 1xfe n GLU 42 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xfe n GLY 44 N 1.59 4.31 3.87 0.00 0.00 -1.21 -4.16 105.19 109.60 1xfe n GLY 44 Ca -0.13 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.66 4.95 -0.17 2.61 2.01 -1.26 -5.00 115.64 116.12 1xfe s THR 45 Ca 0.37 0.49 0.16 0.00 0.31 0.00 0.00 61.69 63.01 1xfe s THR 45 Cb 0.29 -3.64 0.44 0.00 0.01 0.00 0.00 72.50 69.60 1xfe s THR 45 CO 0.00 0.00 1.19 -3.20 -0.69 0.00 0.00 174.62 171.92 1xfe n ASN 46 N 0.07 2.06 -0.56 3.53 2.85 -1.26 -4.82 115.26 117.12 1xfe n ASN 46 Ca -0.01 -3.16 0.47 0.00 -0.11 0.00 0.00 54.58 51.76 1xfe n ASN 46 Cb 0.52 -0.43 0.80 0.00 1.24 0.00 0.00 39.78 41.91 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 1.37 0.00 0.00 1.20 5.08 -1.96 -0.22 114.58 120.05 1xfe h GLU 47 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xfe h GLU 47 Cb 1.37 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1xfe h GLU 47 CO 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 1xfe n LEU 49 N -0.84 0.20 0.01 0.00 4.77 -1.01 0.23 117.00 120.35 1xfe n LEU 49 Ca 0.00 0.56 0.01 0.00 -0.03 0.00 0.00 56.01 56.54 1xfe n LEU 49 Cb 0.00 -0.58 0.03 0.00 -2.33 0.00 0.00 43.42 40.55 1xfe n LEU 49 CO 0.00 -0.63 0.52 -0.67 -1.33 0.00 0.00 177.39 175.28 1xfe n ASP 50 N -1.75 0.03 0.00 -1.43 2.03 -0.13 -4.68 116.55 110.63 1xfe n ASP 50 Ca -0.01 0.49 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1xfe n ASP 50 Cb 0.06 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 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 -1.52 0.00 0.09 1.67 6.94 -0.99 -5.00 115.26 116.45 1xfe n ASN 51 Ca -0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 54.58 54.37 1xfe n ASN 51 Cb 0.02 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.30 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 0.51 0.00 0.53 -1.07 -1.83 -3.43 115.58 110.28 1xfe h ASN 52 Ca 0.00 -0.62 -0.01 0.00 0.07 0.00 0.00 56.30 55.74 1xfe h ASN 52 Cb 0.00 -0.17 -0.01 0.00 -2.07 0.00 0.00 38.32 36.07 1xfe h ASN 52 CO 0.00 1.50 -0.03 0.61 0.07 0.00 0.00 177.43 179.58 1xfe n GLY 53 N 1.65 -0.06 3.53 9.14 0.00 -1.26 -4.78 105.19 113.42 1xfe n GLY 53 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 1.27 0.26 -0.02 0.00 0.61 -0.86 105.19 106.46 1xfe n GLY 54 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.63 -1.40 -0.00 0.00 7.64 -1.10 -4.17 113.62 112.96 1xfe n SER 56 Ca 0.00 0.58 -0.00 0.00 1.01 0.00 0.00 58.87 60.45 1xfe n SER 56 Cb 0.00 1.59 -0.00 0.00 -1.01 0.00 0.00 64.21 64.79 1xfe n SER 56 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xfe n HIS 57 N -3.05 0.00 -3.71 1.43 8.25 -1.26 -4.03 115.22 112.85 1xfe n HIS 57 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 1xfe n HIS 57 Cb 0.00 -0.03 -0.17 0.00 1.12 0.00 0.00 29.99 30.92 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 -1.17 0.33 -0.13 1.59 -7.23 -1.21 -4.47 120.40 108.12 1xfe s VAL 58 Ca -0.01 -0.27 -0.02 0.00 -1.81 0.00 0.00 61.98 59.87 1xfe s VAL 58 Cb 0.00 -0.78 -0.03 0.00 0.56 0.00 0.00 36.38 36.14 1xfe s VAL 58 CO 0.02 -0.10 -0.06 0.00 -0.31 0.00 0.00 175.10 174.65 1xfe s ASN 60 N 0.02 6.28 -0.44 0.00 3.84 0.15 -4.64 114.94 120.16 1xfe s ASN 60 Ca -0.01 -0.36 -0.22 0.00 0.21 0.00 0.00 52.86 52.48 1xfe s ASN 60 Cb -0.14 -2.27 0.02 0.00 -0.55 0.00 0.00 41.25 38.31 1xfe s ASN 60 CO 0.03 -0.63 0.74 -0.62 -2.79 0.00 0.00 177.10 173.83 1xfe s ASP 61 N 1.87 6.40 0.31 -4.21 2.15 -1.26 0.06 116.67 121.99 1xfe s ASP 61 Ca 0.18 -0.13 0.02 0.00 0.43 0.00 0.00 52.55 53.05 1xfe s ASP 61 Cb -0.15 -2.37 -0.03 0.00 -0.30 0.00 0.00 42.92 40.07 1xfe s ASP 61 CO 0.16 -0.86 0.49 -0.76 -0.17 0.00 0.00 175.17 174.03 1xfe s LEU 62 N 3.13 4.10 0.56 -1.34 1.43 -0.73 -4.91 118.68 120.92 1xfe s LEU 62 Ca 0.28 0.30 0.31 0.00 -1.03 0.00 0.00 54.13 53.99 1xfe s LEU 62 Cb -0.13 -3.14 1.67 0.00 0.03 0.00 0.00 46.19 44.63 1xfe s LEU 62 CO 0.21 -0.24 2.14 0.11 0.23 0.00 0.00 176.35 178.81 1xfe h LYS 63 N 0.89 0.00 -0.03 1.70 6.56 -1.79 -2.55 116.57 121.34 1xfe h LYS 63 Ca -0.50 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.07 1xfe h LYS 63 Cb 1.22 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.88 1xfe h LYS 63 CO 0.61 0.07 -0.38 1.51 -2.06 0.00 0.00 179.45 179.19 1xfe n ILE 64 N -3.51 2.19 0.00 1.86 0.13 -1.26 -3.20 119.36 115.57 1xfe n ILE 64 Ca -0.02 -3.05 0.00 0.00 -1.10 0.00 0.00 62.75 58.58 1xfe n ILE 64 Cb 0.19 -0.25 0.00 0.00 -0.84 0.00 0.00 39.64 38.75 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 -1.16 4.43 3.90 4.50 0.00 -0.96 -5.13 105.19 110.77 1xfe n GLY 65 Ca 0.20 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.73 3.56 0.31 1.61 -0.85 -1.26 -1.77 117.35 118.22 1xfe s TYR 66 Ca 0.00 0.43 0.06 0.00 -0.52 0.00 0.00 57.07 57.04 1xfe s TYR 66 Cb 0.00 -1.88 -0.06 0.00 0.38 0.00 0.00 41.96 40.40 1xfe s TYR 66 CO 0.00 0.66 -0.03 -1.83 -1.52 0.00 0.00 175.55 172.83 1xfe s GLU 67 N -1.74 1.63 -0.10 -3.49 1.03 0.11 -4.91 118.70 111.23 1xfe s GLU 67 Ca 0.25 -1.86 -0.09 0.00 0.03 0.00 0.00 54.97 53.30 1xfe s GLU 67 Cb -0.13 -1.19 -0.05 0.00 -0.80 0.00 0.00 34.13 31.97 1xfe s GLU 67 CO 0.16 -0.01 0.21 0.00 -1.33 0.00 0.00 175.26 174.29 1xfe s LEU 69 N -0.84 2.46 0.20 0.00 1.43 0.34 -4.84 118.68 117.44 1xfe s LEU 69 Ca 0.17 -0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 52.24 1xfe s LEU 69 Cb -0.13 -1.04 0.01 0.00 0.03 0.00 0.00 46.19 45.06 1xfe s LEU 69 CO 0.06 0.05 0.45 0.00 0.23 0.00 0.00 176.35 177.14 1xfe s PRO 71 N -3.94 1.16 0.61 0.00 0.02 -1.26 -4.89 135.00 126.69 1xfe s PRO 71 Ca 0.15 1.55 -0.19 0.00 0.02 0.00 0.00 61.00 62.53 1xfe s PRO 71 Cb 0.00 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.74 1xfe s PRO 71 CO 0.01 -2.53 1.10 -0.25 -0.33 0.00 0.00 177.00 175.00 1xfe n ASP 72 N -4.09 1.36 0.00 2.53 8.00 -1.26 -2.06 116.55 121.04 1xfe n ASP 72 Ca 0.12 0.83 0.00 0.00 0.71 0.00 0.00 54.79 56.45 1xfe n ASP 72 Cb 0.52 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 1xfe n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xfe n GLY 73 N 1.12 0.18 3.79 0.44 0.00 -1.26 -4.97 105.19 104.49 1xfe n GLY 73 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.42 3.39 -0.33 1.61 0.40 -0.87 -5.08 117.98 115.68 1xfe s PHE 74 Ca 0.00 0.36 -0.08 0.00 -0.60 0.00 0.00 56.93 56.61 1xfe s PHE 74 Cb 0.00 -1.86 0.02 0.00 0.51 0.00 0.00 43.02 41.69 1xfe s PHE 74 CO 0.00 0.61 0.12 -0.65 0.70 0.00 0.00 175.22 176.01 1xfe s GLN 75 N -1.05 2.93 -0.32 0.44 1.11 -1.15 -4.84 119.66 116.78 1xfe s GLN 75 Ca 0.15 -0.98 -0.29 0.00 0.01 0.00 0.00 55.36 54.25 1xfe s GLN 75 Cb -0.12 -3.50 -0.01 0.00 -1.01 0.00 0.00 33.01 28.37 1xfe s GLN 75 CO 0.04 -0.56 1.65 -1.17 0.01 0.00 0.00 175.29 175.26 1xfe s LEU 76 N 1.50 3.63 0.01 2.90 2.96 -1.26 -0.55 118.68 127.88 1xfe s LEU 76 Ca 0.01 1.28 -0.12 0.00 -0.22 0.00 0.00 54.13 55.08 1xfe s LEU 76 Cb -0.18 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1xfe s LEU 76 CO 0.04 -1.51 0.37 0.68 -1.32 0.00 0.00 176.35 174.61 1xfe s VAL 77 N 6.04 5.11 -0.13 1.68 -7.23 1.16 -4.14 120.40 122.89 1xfe s VAL 77 Ca 0.73 0.61 0.00 0.00 -1.81 0.00 0.00 61.98 61.51 1xfe s VAL 77 Cb -0.21 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.08 1xfe s VAL 77 CO 0.32 0.48 0.00 0.00 -0.31 0.00 0.00 175.10 175.59 1xfe n ALA 78 N 1.50 -0.02 -1.24 1.32 0.00 -1.26 0.59 120.51 121.40 1xfe n ALA 78 Ca -0.13 0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.25 1xfe n ALA 78 Cb 0.53 -0.48 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.87 -1.35 0.00 0.00 1.13 -1.26 -4.49 117.38 108.54 1xfe n GLN 79 Ca -0.01 0.74 0.00 0.00 -1.94 0.00 0.00 57.00 55.79 1xfe n GLN 79 Cb 0.05 -4.92 0.00 0.00 0.11 0.00 0.00 30.24 25.48 1xfe n GLN 79 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1xfe n ARG 80 N -1.23 0.00 -2.79 -1.09 1.74 -1.21 -4.80 116.66 107.29 1xfe n ARG 80 Ca -0.08 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.57 1xfe n ARG 80 Cb 0.47 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.87 1xfe n ARG 80 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xfe s ARG 81 N -0.84 4.04 -0.45 5.56 6.06 0.20 -2.71 118.95 130.81 1xfe s ARG 81 Ca 0.00 0.88 -0.28 0.00 -2.50 0.00 0.00 55.73 53.83 1xfe s ARG 81 Cb 0.00 -3.72 -0.00 0.00 0.06 0.00 0.00 34.95 31.29 1xfe s ARG 81 CO 0.00 -0.76 1.62 0.00 -2.50 0.00 0.00 175.30 173.66