#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 7.29 0.03 1.61 0.01 -1.26 -5.07 114.94 117.54 1xfe s ASN 2 Ca 0.00 1.53 0.07 0.00 -0.71 0.00 0.00 52.86 53.75 1xfe s ASN 2 Cb 0.00 -2.47 -0.02 0.00 0.41 0.00 0.00 41.25 39.17 1xfe s ASN 2 CO 0.00 0.15 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.84 1xfe s VAL 3 N -0.75 1.67 -0.36 1.60 1.01 -1.26 -5.11 120.40 117.21 1xfe s VAL 3 Ca 0.36 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1xfe s VAL 3 Cb -0.22 -1.43 0.11 0.00 0.00 0.00 0.00 36.38 34.84 1xfe s VAL 3 CO 0.24 0.28 0.12 -0.89 0.00 0.00 0.00 175.10 174.85 1xfe s THR 4 N -0.71 1.48 -0.24 3.92 2.01 -1.26 -5.07 115.64 115.77 1xfe s THR 4 Ca 0.08 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.08 1xfe s THR 4 Cb -0.09 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.34 1xfe s THR 4 CO 0.01 -0.70 0.00 0.18 -0.69 0.00 0.00 174.62 173.42 1xfe n LEU 5 N 4.33 0.00 -3.19 4.42 4.77 -1.26 -5.02 117.00 121.05 1xfe n LEU 5 Ca 0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.64 1xfe n LEU 5 Cb 0.40 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1xfe n LEU 5 CO 0.18 0.00 2.38 0.00 -1.33 0.00 0.00 177.39 178.62 1xfe s GLU 7 N -0.57 1.58 0.00 0.00 2.02 -1.26 -5.05 118.70 115.42 1xfe s GLU 7 Ca 0.58 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.69 1xfe s GLU 7 Cb 0.23 -0.50 0.00 0.00 0.10 0.00 0.00 34.13 33.95 1xfe s GLU 7 CO -0.11 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.29 1xfe n GLY 8 N -0.61 3.84 0.36 -1.39 0.00 -1.26 -4.76 105.19 101.37 1xfe n GLY 8 Ca -0.01 -0.93 0.19 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 -0.71 1.61 0.11 -2.03 0.12 132.00 131.10 1xfe h PRO 9 Ca 0.00 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.81 1xfe h PRO 9 Cb 0.00 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 30.93 1xfe h PRO 9 CO 0.00 0.00 0.31 0.27 -0.21 0.00 0.00 178.00 178.37 1xfe n ASN 10 N -3.79 3.82 -4.98 -2.05 6.94 -1.26 -4.98 115.26 108.96 1xfe n ASN 10 Ca 0.05 -3.48 -0.21 0.00 -0.02 0.00 0.00 54.58 50.92 1xfe n ASN 10 Cb 0.47 -0.74 -0.00 0.00 -2.36 0.00 0.00 39.78 37.15 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 -3.16 3.19 -0.02 -3.83 2.47 0.43 -2.90 119.74 115.94 1xfe s LYS 11 Ca 0.52 -0.80 -0.02 0.00 -1.56 0.00 0.00 55.97 54.12 1xfe s LYS 11 Cb 0.44 -2.77 0.00 0.00 -1.46 0.00 0.00 37.83 34.05 1xfe s LYS 11 CO 0.09 0.07 0.05 0.12 0.16 0.00 0.00 175.35 175.83 1xfe s PHE 12 N -2.23 -0.03 -0.15 4.03 5.36 0.35 -4.67 117.98 120.64 1xfe s PHE 12 Ca 0.43 0.08 -0.02 0.00 -0.96 0.00 0.00 56.93 56.47 1xfe s PHE 12 Cb -0.10 0.00 -0.02 0.00 -0.34 0.00 0.00 43.02 42.57 1xfe s PHE 12 CO 0.33 -0.05 -0.09 -1.59 -1.46 0.00 0.00 175.22 172.36 1xfe s LYS 13 N -0.12 3.47 0.74 10.12 -2.85 -1.26 0.55 119.74 130.39 1xfe s LYS 13 Ca -0.02 -0.63 -0.08 0.00 -1.00 0.00 0.00 55.97 54.25 1xfe s LYS 13 Cb -0.01 -2.77 0.08 0.00 -2.06 0.00 0.00 37.83 33.07 1xfe s LYS 13 CO 0.00 0.16 1.07 0.00 0.10 0.00 0.00 175.35 176.68 1xfe h HIS 15 N -0.76 0.00 -0.57 0.00 2.76 -1.91 -1.09 115.15 113.58 1xfe h HIS 15 Ca -0.44 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 57.56 1xfe h HIS 15 Cb 1.31 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 30.17 1xfe h HIS 15 CO 0.17 0.04 0.21 0.45 -1.30 0.00 0.00 177.93 177.50 1xfe n SER 16 N -3.64 4.14 -3.59 3.26 2.88 -1.26 -4.90 113.62 110.51 1xfe n SER 16 Ca -0.02 -2.92 -0.20 0.00 -1.33 0.00 0.00 58.87 54.40 1xfe n SER 16 Cb 0.14 -0.69 0.06 0.00 -0.75 0.00 0.00 64.21 62.97 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 -0.04 -0.36 3.26 0.46 0.00 -0.41 -4.99 105.19 103.10 1xfe n GLY 17 Ca 0.31 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 1xfe n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xfe s GLU 18 N -5.79 3.19 -0.04 1.61 -6.30 -1.25 -4.88 118.70 105.26 1xfe s GLU 18 Ca 0.10 -0.76 -0.30 0.00 -2.50 0.00 0.00 54.97 51.50 1xfe s GLU 18 Cb -0.05 -2.59 -0.02 0.00 0.00 0.00 0.00 34.13 31.47 1xfe s GLU 18 CO 0.77 0.03 0.99 0.00 0.02 0.00 0.00 175.26 177.06 1xfe s ILE 20 N 1.34 0.00 0.38 0.00 -4.36 0.19 -4.96 121.20 113.79 1xfe s ILE 20 Ca 0.51 -1.65 -0.04 0.00 -0.26 0.00 0.00 60.65 59.20 1xfe s ILE 20 Cb -0.20 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 1xfe s ILE 20 CO 0.25 0.00 0.66 0.42 0.24 0.00 0.00 174.94 176.50 1xfe s THR 21 N -3.37 4.98 -0.03 8.37 -4.23 -1.26 0.13 115.64 120.23 1xfe s THR 21 Ca 0.31 0.02 0.19 0.00 -1.18 0.00 0.00 61.69 61.03 1xfe s THR 21 Cb 0.01 -3.82 0.14 0.00 1.34 0.00 0.00 72.50 70.17 1xfe s THR 21 CO 0.18 -0.59 1.62 0.17 -0.54 0.00 0.00 174.62 175.46 1xfe h LEU 22 N 0.87 0.00 -0.01 4.79 8.10 -1.80 -3.36 115.31 123.91 1xfe h LEU 22 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.51 1xfe h LEU 22 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.42 1xfe h LEU 22 CO 0.63 0.37 -0.05 0.44 -4.11 0.00 0.00 178.44 175.72 1xfe h ASP 23 N 0.00 -0.16 0.00 0.17 3.32 -1.94 -0.38 116.42 117.43 1xfe h ASP 23 Ca -0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1xfe h ASP 23 Cb 1.09 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1xfe h ASP 23 CO 0.05 -0.05 0.00 2.29 -1.72 0.00 0.00 179.24 179.81 1xfe n LYS 24 N -2.83 0.46 -2.04 3.56 -0.00 -1.26 -4.79 118.16 111.26 1xfe n LYS 24 Ca -0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.88 1xfe n LYS 24 Cb 0.04 -1.23 -0.03 0.00 -0.00 0.00 0.00 35.03 33.80 1xfe n LYS 24 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1xfe s VAL 25 N -2.00 2.97 -0.73 0.58 1.01 -0.15 -2.29 120.40 119.79 1xfe s VAL 25 Ca 0.10 0.67 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 1xfe s VAL 25 Cb 0.05 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1xfe s VAL 25 CO 0.08 0.04 0.21 0.00 0.00 0.00 0.00 175.10 175.44 1xfe s ASN 27 N -2.80 6.25 0.25 0.00 4.22 -0.97 -4.97 114.94 116.92 1xfe s ASN 27 Ca 0.11 0.28 0.16 0.00 -2.14 0.00 0.00 52.86 51.26 1xfe s ASN 27 Cb -0.05 -2.11 0.89 0.00 1.28 0.00 0.00 41.25 41.26 1xfe s ASN 27 CO 0.13 0.16 0.99 0.23 -2.04 0.00 0.00 177.10 176.57 1xfe n MET 28 N 3.59 -0.03 -2.36 3.55 2.81 -1.26 -4.35 117.12 119.07 1xfe n MET 28 Ca -0.15 0.84 -0.36 0.00 -1.81 0.00 0.00 57.70 56.22 1xfe n MET 28 Cb 0.52 -1.56 -0.02 0.00 -0.71 0.00 0.00 33.22 31.45 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 -4.83 2.91 0.01 3.04 0.00 -1.26 -4.99 121.76 116.64 1xfe s ALA 29 Ca -0.05 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.41 1xfe s ALA 29 Cb 0.21 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1xfe s ALA 29 CO 0.50 -0.54 1.13 0.50 0.00 0.00 0.00 175.76 177.35 1xfe s ARG 30 N -2.89 4.45 -0.00 0.00 3.00 -1.26 -4.90 118.95 117.34 1xfe s ARG 30 Ca 0.65 1.64 0.02 0.00 -1.00 0.00 0.00 55.73 57.03 1xfe s ARG 30 Cb -0.24 -3.44 -0.03 0.00 0.00 0.00 0.00 34.95 31.25 1xfe s ARG 30 CO 0.29 -0.25 0.04 -0.25 0.00 0.00 0.00 175.30 175.12 1xfe n ASP 31 N 4.28 4.62 -3.90 -2.12 8.00 -1.26 -5.06 116.55 121.12 1xfe n ASP 31 Ca 0.09 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.48 1xfe n ASP 31 Cb 0.48 1.06 -0.10 0.00 -0.02 0.00 0.00 41.12 42.54 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 4.18 0.54 0.00 0.00 -0.00 -2.04 -2.68 114.38 114.38 1xfe h ARG 33 Ca -0.31 -0.19 0.00 0.00 -0.50 0.00 0.00 59.98 58.98 1xfe h ARG 33 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.12 1xfe h ARG 33 CO 0.43 0.71 0.00 -0.44 0.00 0.00 0.00 179.97 180.67 1xfe h ASP 34 N 0.32 0.00 -0.40 7.04 3.32 -1.99 -3.45 116.42 121.26 1xfe h ASP 34 Ca 0.08 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.96 1xfe h ASP 34 Cb 0.49 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.97 1xfe h ASP 34 CO 0.02 0.00 -0.16 0.79 -1.72 0.00 0.00 179.24 178.17 1xfe n TRP 35 N -2.90 0.00 0.32 4.55 7.02 -1.01 -4.82 117.44 120.60 1xfe n TRP 35 Ca -0.01 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.63 1xfe n TRP 35 Cb 0.19 -2.33 0.67 0.00 -2.42 0.00 0.00 31.31 27.42 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 0.23 -0.99 0.87 -1.88 -2.79 113.55 108.99 1xfe h SER 36 Ca -0.17 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.04 1xfe h SER 36 Cb 0.99 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.96 1xfe h SER 36 CO 0.25 0.00 -1.73 -0.78 -0.53 0.00 0.00 176.83 174.05 1xfe h ASP 37 N 0.00 0.58 -2.55 6.23 3.58 -1.92 -3.40 116.42 118.95 1xfe h ASP 37 Ca 0.00 -0.87 -0.74 0.00 0.42 0.00 0.00 57.03 55.84 1xfe h ASP 37 Cb 0.34 -0.19 -0.32 0.00 1.72 0.00 0.00 39.33 40.88 1xfe h ASP 37 CO 0.00 1.73 0.39 -0.62 -2.88 0.00 0.00 179.24 177.86 1xfe n GLU 38 N -3.56 4.13 -2.46 0.28 4.71 -1.05 -2.54 120.64 120.15 1xfe n GLU 38 Ca -0.24 -4.64 -0.40 0.00 -0.01 0.00 0.00 57.16 51.87 1xfe n GLU 38 Cb 1.07 -2.42 -0.03 0.00 -1.01 0.00 0.00 31.44 29.05 1xfe n GLU 38 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1xfe s PRO 39 N -3.13 3.15 0.57 3.49 0.04 -1.24 -4.86 135.00 133.02 1xfe s PRO 39 Ca 0.37 -0.25 0.30 0.00 0.04 0.00 0.00 61.00 61.45 1xfe s PRO 39 Cb 0.13 -4.42 1.46 0.00 0.04 0.00 0.00 34.50 31.71 1xfe s PRO 39 CO 0.01 -2.28 1.88 0.82 0.04 0.00 0.00 177.00 177.46 1xfe h ILE 40 N 6.31 0.43 0.00 0.56 2.04 -1.95 0.52 117.51 125.43 1xfe h ILE 40 Ca -0.19 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.52 1xfe h ILE 40 Cb 1.06 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1xfe h ILE 40 CO 1.29 0.00 -0.71 0.50 0.00 0.00 0.00 178.15 179.23 1xfe h LYS 41 N 0.00 0.00 -0.01 2.37 3.64 -1.97 -3.24 116.57 117.36 1xfe h LYS 41 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1xfe h LYS 41 Cb 1.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1xfe h LYS 41 CO -0.00 0.71 -0.74 -1.91 -2.27 0.00 0.00 179.45 175.23 1xfe n GLU 42 N -3.31 0.61 -0.07 1.90 4.07 0.14 -4.18 120.64 119.79 1xfe n GLU 42 Ca 0.01 -0.49 -0.10 0.00 -0.06 0.00 0.00 57.16 56.53 1xfe n GLU 42 Cb 0.81 -1.49 -0.07 0.00 -0.06 0.00 0.00 31.44 30.63 1xfe n GLU 42 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xfe n GLY 44 N 1.63 4.51 3.83 0.00 0.00 -1.22 -4.34 105.19 109.59 1xfe n GLY 44 Ca -0.11 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.04 4.74 -0.50 2.61 2.01 -1.26 -5.03 115.64 115.17 1xfe s THR 45 Ca 0.44 1.01 0.07 0.00 0.31 0.00 0.00 61.69 63.52 1xfe s THR 45 Cb 0.35 -3.78 0.25 0.00 0.01 0.00 0.00 72.50 69.33 1xfe s THR 45 CO 0.02 0.22 0.63 -3.20 -0.69 0.00 0.00 174.62 171.60 1xfe n ASN 46 N 0.74 1.79 0.19 3.53 2.85 -1.26 -4.80 115.26 118.30 1xfe n ASN 46 Ca -0.04 -3.04 0.08 0.00 -0.11 0.00 0.00 54.58 51.48 1xfe n ASN 46 Cb 0.52 -0.65 0.16 0.00 1.24 0.00 0.00 39.78 41.05 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 4.02 0.00 0.00 1.20 5.08 -1.95 -3.23 114.58 119.70 1xfe h GLU 47 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1xfe h GLU 47 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1xfe h GLU 47 CO 0.63 0.21 0.00 0.00 -1.00 0.00 0.00 179.01 178.85 1xfe n LEU 49 N -1.05 0.20 0.01 0.00 4.77 -1.26 0.20 117.00 119.86 1xfe n LEU 49 Ca 0.00 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1xfe n LEU 49 Cb 0.00 -0.52 0.02 0.00 -2.33 0.00 0.00 43.42 40.59 1xfe n LEU 49 CO 0.00 -0.58 0.51 -0.67 -1.33 0.00 0.00 177.39 175.32 1xfe n ASP 50 N -1.73 0.02 0.00 -1.43 2.03 -1.07 -4.67 116.55 109.70 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 0.14 -0.49 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 -1.51 0.00 0.09 1.67 6.94 -0.91 -5.00 115.26 116.55 1xfe n ASN 51 Ca -0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.39 1xfe n ASN 51 Cb 0.02 0.00 -0.14 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 0.45 0.00 0.53 -1.07 -1.83 -3.43 115.58 110.23 1xfe h ASN 52 Ca 0.00 -0.55 -0.01 0.00 0.07 0.00 0.00 56.30 55.81 1xfe h ASN 52 Cb 0.00 -0.15 -0.01 0.00 -2.07 0.00 0.00 38.32 36.09 1xfe h ASN 52 CO 0.00 1.44 -0.02 0.61 0.07 0.00 0.00 177.43 179.53 1xfe n GLY 53 N 1.62 -0.16 4.04 9.14 0.00 -1.26 -4.72 105.19 113.85 1xfe n GLY 53 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.08 1.08 -0.02 0.00 0.53 0.08 105.19 107.93 1xfe n GLY 54 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.18 -1.34 -0.00 0.00 7.64 -0.97 -4.27 113.62 112.50 1xfe n SER 56 Ca 0.00 0.43 -0.01 0.00 1.01 0.00 0.00 58.87 60.30 1xfe n SER 56 Cb 0.07 1.49 -0.00 0.00 -1.01 0.00 0.00 64.21 64.76 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 -2.84 0.00 -3.58 1.43 8.25 -1.26 -4.01 115.22 113.21 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 -0.04 -0.16 0.00 1.12 0.00 0.00 29.99 30.91 1xfe n HIS 57 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xfe s VAL 58 N -1.25 -0.10 -0.16 1.59 1.01 -1.18 -4.36 120.40 115.95 1xfe s VAL 58 Ca -0.02 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 1xfe s VAL 58 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1xfe s VAL 58 CO 0.03 -0.41 0.08 0.00 0.00 0.00 0.00 175.10 174.80 1xfe s ASN 60 N -0.09 6.29 -0.44 0.00 3.84 0.38 -4.53 114.94 120.40 1xfe s ASN 60 Ca 0.07 -0.26 -0.23 0.00 0.21 0.00 0.00 52.86 52.65 1xfe s ASN 60 Cb -0.12 -2.28 0.02 0.00 -0.55 0.00 0.00 41.25 38.33 1xfe s ASN 60 CO 0.01 -0.60 0.76 -0.62 -2.79 0.00 0.00 177.10 173.85 1xfe s ASP 61 N 1.85 6.41 0.75 -4.21 2.15 -1.26 0.37 116.67 122.73 1xfe s ASP 61 Ca 0.19 -0.09 -0.03 0.00 0.43 0.00 0.00 52.55 53.05 1xfe s ASP 61 Cb -0.15 -2.37 0.14 0.00 -0.30 0.00 0.00 42.92 40.23 1xfe s ASP 61 CO 0.15 -0.87 0.92 0.18 -0.17 0.00 0.00 175.17 175.39 1xfe n LEU 62 N 6.60 0.00 0.11 -1.34 4.77 -0.83 -4.93 117.00 121.37 1xfe n LEU 62 Ca 0.02 -1.74 -0.02 0.00 -0.03 0.00 0.00 56.01 54.24 1xfe n LEU 62 Cb 0.48 -0.62 0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1xfe n LEU 62 CO 0.57 -1.00 0.35 0.11 -1.33 0.00 0.00 177.39 176.10 1xfe h LYS 63 N 0.00 0.00 -0.03 3.23 1.57 -1.81 -3.31 116.57 116.22 1xfe h LYS 63 Ca -0.30 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 1xfe h LYS 63 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1xfe h LYS 63 CO 0.30 0.74 -0.41 1.51 -0.57 0.00 0.00 179.45 181.02 1xfe n ILE 64 N -3.47 2.21 0.00 1.86 0.13 -1.26 -3.63 119.36 115.20 1xfe n ILE 64 Ca 0.00 -3.10 0.00 0.00 -1.10 0.00 0.00 62.75 58.55 1xfe n ILE 64 Cb 0.77 -0.25 0.00 0.00 -0.84 0.00 0.00 39.64 39.32 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 4.73 3.86 4.50 0.00 -1.25 -5.13 105.19 110.75 1xfe n GLY 65 Ca 0.20 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.83 3.58 0.21 1.61 -0.85 -1.26 -1.96 117.35 117.85 1xfe s TYR 66 Ca 0.00 0.94 0.06 0.00 -0.52 0.00 0.00 57.07 57.54 1xfe s TYR 66 Cb 0.00 -2.28 -0.05 0.00 0.38 0.00 0.00 41.96 40.01 1xfe s TYR 66 CO 0.00 0.45 -0.09 -1.21 -1.52 0.00 0.00 175.55 173.18 1xfe s GLU 67 N -2.04 1.32 -0.12 -3.49 0.41 0.16 -4.91 118.70 110.03 1xfe s GLU 67 Ca 0.37 -1.62 -0.10 0.00 -0.41 0.00 0.00 54.97 53.21 1xfe s GLU 67 Cb -0.14 -0.91 -0.05 0.00 -1.78 0.00 0.00 34.13 31.25 1xfe s GLU 67 CO 0.19 0.07 0.22 0.00 -0.49 0.00 0.00 175.26 175.25 1xfe s LEU 69 N -0.49 2.46 0.15 0.00 2.01 0.28 -4.79 118.68 118.29 1xfe s LEU 69 Ca 0.16 -0.89 -0.23 0.00 0.01 0.00 0.00 54.13 53.19 1xfe s LEU 69 Cb -0.13 -0.69 0.07 0.00 0.01 0.00 0.00 46.19 45.45 1xfe s LEU 69 CO 0.05 -0.11 0.59 0.00 1.01 0.00 0.00 176.35 177.88 1xfe n PRO 71 N -0.33 -0.71 -1.34 0.00 -0.02 -1.26 -4.88 135.00 126.47 1xfe n PRO 71 Ca -0.17 -0.18 -0.35 0.00 -2.02 0.00 0.00 63.50 60.78 1xfe n PRO 71 Cb 0.65 -1.68 0.10 0.00 -0.02 0.00 0.00 33.50 32.55 1xfe n PRO 71 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xfe n ASP 72 N -0.77 1.15 0.00 2.55 9.92 -1.26 -2.94 116.55 125.20 1xfe n ASP 72 Ca 0.03 0.67 0.00 0.00 -0.53 0.00 0.00 54.79 54.97 1xfe n ASP 72 Cb 0.58 -1.49 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 1xfe n ASP 72 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xfe n GLY 73 N 0.80 1.26 3.77 0.44 0.00 -1.26 -4.96 105.19 105.24 1xfe n GLY 73 Ca 0.14 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.01 2.91 -0.14 1.61 0.08 -1.15 -5.03 117.98 116.24 1xfe s PHE 74 Ca 0.00 1.51 0.02 0.00 0.12 0.00 0.00 56.93 58.58 1xfe s PHE 74 Cb 0.00 -3.47 0.01 0.00 -0.57 0.00 0.00 43.02 38.99 1xfe s PHE 74 CO 0.00 -1.63 -0.20 -1.14 -0.10 0.00 0.00 175.22 172.15 1xfe s GLN 75 N -2.45 3.06 -0.21 0.44 -0.44 -1.26 -4.85 119.66 113.95 1xfe s GLN 75 Ca 0.60 -0.83 -0.29 0.00 -2.50 0.00 0.00 55.36 52.34 1xfe s GLN 75 Cb -0.32 -2.48 -0.04 0.00 -1.64 0.00 0.00 33.01 28.53 1xfe s GLN 75 CO 0.40 -0.02 1.78 -1.17 0.50 0.00 0.00 175.29 176.78 1xfe s LEU 76 N 0.84 3.82 -0.08 3.68 2.96 -1.26 0.13 118.68 128.77 1xfe s LEU 76 Ca -0.06 1.72 -0.05 0.00 -0.22 0.00 0.00 54.13 55.52 1xfe s LEU 76 Cb -0.15 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1xfe s LEU 76 CO -0.02 -1.42 0.16 0.68 -1.32 0.00 0.00 176.35 174.43 1xfe s VAL 77 N 5.88 5.48 -0.18 1.68 -7.23 0.63 -4.32 120.40 122.34 1xfe s VAL 77 Ca 0.79 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 61.03 1xfe s VAL 77 Cb -0.28 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.21 1xfe s VAL 77 CO 0.32 0.50 0.00 0.00 -0.31 0.00 0.00 175.10 175.62 1xfe n ALA 78 N 1.57 -0.03 -0.94 1.32 0.00 -1.26 0.11 120.51 121.29 1xfe n ALA 78 Ca -0.16 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1xfe n ALA 78 Cb 0.54 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.76 -0.75 0.00 0.00 1.13 -1.26 -4.50 117.38 109.24 1xfe n GLN 79 Ca -0.02 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1xfe n GLN 79 Cb 0.08 -3.88 0.00 0.00 0.11 0.00 0.00 30.24 26.55 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 -1.24 0.15 -2.15 -1.09 1.74 -1.20 -4.80 116.66 108.06 1xfe n ARG 80 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1xfe n ARG 80 Cb 0.19 -0.07 0.02 0.00 -1.02 0.00 0.00 32.46 31.57 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 -0.83 3.38 -0.34 5.56 6.06 0.30 -2.30 118.95 130.78 1xfe s ARG 81 Ca 0.00 0.45 -0.02 0.00 -2.50 0.00 0.00 55.73 53.66 1xfe s ARG 81 Cb 0.00 -2.18 0.07 0.00 0.06 0.00 0.00 34.95 32.90 1xfe s ARG 81 CO 0.00 -0.56 0.07 0.00 -2.50 0.00 0.00 175.30 172.30