#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 5.33 -0.60 1.61 2.20 -1.26 -4.99 114.94 117.23 1xfe s ASN 2 Ca 0.00 2.17 -0.13 0.00 -0.94 0.00 0.00 52.86 53.96 1xfe s ASN 2 Cb 0.00 -2.58 0.15 0.00 -2.00 0.00 0.00 41.25 36.83 1xfe s ASN 2 CO 0.00 -1.48 0.52 0.54 -2.94 0.00 0.00 177.10 173.74 1xfe s VAL 3 N -1.93 4.96 -0.20 3.54 0.11 -1.26 -5.04 120.40 120.58 1xfe s VAL 3 Ca 0.72 -1.91 -0.03 0.00 -2.93 0.00 0.00 61.98 57.83 1xfe s VAL 3 Cb -0.24 -4.17 -0.01 0.00 -1.53 0.00 0.00 36.38 30.43 1xfe s VAL 3 CO 0.34 -0.89 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.26 1xfe s THR 4 N 1.07 3.22 -0.25 5.04 2.01 -1.26 -5.08 115.64 120.39 1xfe s THR 4 Ca 0.08 -0.55 -0.27 0.00 0.31 0.00 0.00 61.69 61.26 1xfe s THR 4 Cb -0.23 -2.44 0.15 0.00 0.01 0.00 0.00 72.50 69.99 1xfe s THR 4 CO -0.01 0.45 1.18 -1.48 -0.69 0.00 0.00 174.62 174.07 1xfe s LEU 5 N 1.29 -0.26 -0.57 4.42 2.34 -1.26 -5.04 118.68 119.60 1xfe s LEU 5 Ca 0.03 0.41 -0.02 0.00 0.06 0.00 0.00 54.13 54.62 1xfe s LEU 5 Cb -0.14 1.55 0.40 0.00 -0.56 0.00 0.00 46.19 47.43 1xfe s LEU 5 CO -0.03 -0.15 2.03 0.00 -1.06 0.00 0.00 176.35 177.14 1xfe s GLU 7 N -3.30 1.04 0.06 0.00 2.12 -1.26 -4.98 118.70 112.38 1xfe s GLU 7 Ca 0.56 -0.15 -0.07 0.00 0.36 0.00 0.00 54.97 55.67 1xfe s GLU 7 Cb 0.44 -1.05 0.02 0.00 0.26 0.00 0.00 34.13 33.80 1xfe s GLU 7 CO -0.00 -0.11 0.34 0.41 -0.54 0.00 0.00 175.26 175.35 1xfe n GLY 8 N 4.26 1.08 3.77 -1.50 0.00 -1.26 -5.12 105.19 106.43 1xfe n GLY 8 Ca -0.20 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 1xfe n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xfe s PRO 9 N -2.02 3.75 -1.67 1.61 0.04 -1.26 -3.47 135.00 131.98 1xfe s PRO 9 Ca 0.07 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 62.76 1xfe s PRO 9 Cb -0.01 -2.40 0.12 0.00 0.04 0.00 0.00 34.50 32.25 1xfe s PRO 9 CO 0.02 -0.56 0.49 0.27 0.04 0.00 0.00 177.00 177.26 1xfe n ASN 10 N -0.50 -1.40 -4.93 6.66 6.94 -1.26 -4.93 115.26 115.83 1xfe n ASN 10 Ca 0.07 -1.14 -0.21 0.00 -0.02 0.00 0.00 54.58 53.29 1xfe n ASN 10 Cb 0.48 -2.22 -0.02 0.00 -2.36 0.00 0.00 39.78 35.65 1xfe n ASN 10 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1xfe s LYS 11 N -7.06 3.23 0.00 -3.83 -0.14 -1.23 -3.56 119.74 107.16 1xfe s LYS 11 Ca 0.47 -0.90 0.01 0.00 -1.36 0.00 0.00 55.97 54.19 1xfe s LYS 11 Cb -0.27 -2.78 -0.00 0.00 -1.68 0.00 0.00 37.83 33.10 1xfe s LYS 11 CO 0.97 0.35 -0.02 0.12 -0.76 0.00 0.00 175.35 176.01 1xfe s PHE 12 N -2.06 0.17 -0.17 3.18 5.36 0.37 -4.61 117.98 120.22 1xfe s PHE 12 Ca 0.36 -0.07 0.01 0.00 -0.96 0.00 0.00 56.93 56.26 1xfe s PHE 12 Cb -0.09 -0.11 0.03 0.00 -0.34 0.00 0.00 43.02 42.51 1xfe s PHE 12 CO 0.28 -0.02 -0.15 -1.59 -1.46 0.00 0.00 175.22 172.28 1xfe s LYS 13 N -0.18 2.44 0.99 10.12 -2.85 -1.26 -0.90 119.74 128.10 1xfe s LYS 13 Ca -0.01 -0.68 -0.16 0.00 -1.00 0.00 0.00 55.97 54.12 1xfe s LYS 13 Cb -0.02 -2.28 0.25 0.00 -2.06 0.00 0.00 37.83 33.73 1xfe s LYS 13 CO -0.00 -0.26 0.66 0.00 0.10 0.00 0.00 175.35 175.84 1xfe h HIS 15 N -2.93 0.68 0.00 0.00 2.76 -1.91 -3.14 115.15 110.61 1xfe h HIS 15 Ca -0.28 -0.42 0.00 0.00 -2.20 0.00 0.00 60.37 57.47 1xfe h HIS 15 Cb 0.92 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.82 1xfe h HIS 15 CO 0.00 1.28 0.00 0.43 -1.30 0.00 0.00 177.93 178.34 1xfe n SER 16 N -3.69 0.00 0.00 3.26 7.64 -1.26 -4.85 113.62 114.72 1xfe n SER 16 Ca -0.09 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1xfe n SER 16 Cb 0.93 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1xfe n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xfe n GLY 17 N 0.69 2.00 3.96 0.23 0.00 -1.19 -5.11 105.19 105.76 1xfe n GLY 17 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.99 1.58 -0.12 1.61 2.12 -1.26 -4.83 118.70 116.82 1xfe s GLU 18 Ca 0.00 -0.70 -0.04 0.00 0.36 0.00 0.00 54.97 54.60 1xfe s GLU 18 Cb 0.00 -2.17 0.05 0.00 0.26 0.00 0.00 34.13 32.27 1xfe s GLU 18 CO 0.00 -1.61 0.12 0.00 -0.54 0.00 0.00 175.26 173.23 1xfe s ILE 20 N 2.21 0.00 0.45 0.00 -4.36 -0.07 -4.97 121.20 114.45 1xfe s ILE 20 Ca 0.04 -1.90 -0.23 0.00 -0.26 0.00 0.00 60.65 58.30 1xfe s ILE 20 Cb -0.14 -2.51 -0.08 0.00 1.25 0.00 0.00 42.46 40.98 1xfe s ILE 20 CO -0.07 0.00 1.10 -0.89 0.24 0.00 0.00 174.94 175.32 1xfe s THR 21 N -3.62 3.46 0.17 8.37 2.01 -1.26 -0.48 115.64 124.29 1xfe s THR 21 Ca 0.38 1.05 0.04 0.00 0.31 0.00 0.00 61.69 63.47 1xfe s THR 21 Cb 0.03 -3.51 -0.14 0.00 0.01 0.00 0.00 72.50 68.89 1xfe s THR 21 CO 0.21 -0.06 1.39 0.17 -0.69 0.00 0.00 174.62 175.64 1xfe h LEU 22 N 2.06 0.20 -0.05 4.42 8.10 -1.81 -3.37 115.31 124.86 1xfe h LEU 22 Ca -0.49 -0.16 0.02 0.00 0.11 0.00 0.00 57.88 57.36 1xfe h LEU 22 Cb 1.23 -0.06 -0.04 0.00 -0.44 0.00 0.00 40.66 41.35 1xfe h LEU 22 CO 0.60 0.97 -0.36 0.44 -4.11 0.00 0.00 178.44 175.98 1xfe h ASP 23 N 0.08 -1.13 0.00 0.17 3.32 -1.93 0.54 116.42 117.48 1xfe h ASP 23 Ca -0.04 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1xfe h ASP 23 Cb 1.50 0.44 0.00 0.00 0.22 0.00 0.00 39.33 41.48 1xfe h ASP 23 CO 0.13 -0.33 0.00 2.29 -1.72 0.00 0.00 179.24 179.61 1xfe n LYS 24 N -4.46 0.24 -1.77 3.56 -0.00 -1.26 -4.81 118.16 109.67 1xfe n LYS 24 Ca -0.04 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.85 1xfe n LYS 24 Cb 0.26 -1.07 -0.00 0.00 -0.00 0.00 0.00 35.03 34.21 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 0.02 1.79 -3.46 0.58 0.31 0.18 -2.63 118.33 115.12 1xfe n VAL 25 Ca 0.00 -0.45 -0.20 0.00 -0.01 0.00 0.00 64.34 63.68 1xfe n VAL 25 Cb 0.04 -1.96 0.08 0.00 -0.91 0.00 0.00 33.84 31.09 1xfe n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xfe n ASN 27 N -2.90 -1.14 0.18 0.00 6.94 -1.08 -4.96 115.26 112.30 1xfe n ASN 27 Ca -0.12 -1.13 0.11 0.00 -0.02 0.00 0.00 54.58 53.42 1xfe n ASN 27 Cb 0.60 -0.76 0.12 0.00 -2.36 0.00 0.00 39.78 37.38 1xfe n ASN 27 CO 0.00 0.00 0.00 -0.03 -1.03 0.00 0.00 177.26 176.20 1xfe h MET 28 N 0.00 0.00 -6.03 -3.83 1.85 -1.94 -3.47 114.93 101.51 1xfe h MET 28 Ca -0.32 0.00 -0.53 0.00 -0.61 0.00 0.00 59.70 58.24 1xfe h MET 28 Cb 0.93 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.90 1xfe h MET 28 CO 0.21 0.04 -0.44 0.00 -0.40 0.00 0.00 176.91 176.32 1xfe s ALA 29 N -3.23 3.82 -0.04 0.39 0.00 -1.26 -5.08 121.76 116.36 1xfe s ALA 29 Ca 0.05 -2.00 -0.30 0.00 0.00 0.00 0.00 51.96 49.70 1xfe s ALA 29 Cb 0.06 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1xfe s ALA 29 CO 0.71 -0.20 1.30 1.03 0.00 0.00 0.00 175.76 178.60 1xfe s ARG 30 N -4.01 4.31 -0.06 0.00 0.52 -1.26 -4.89 118.95 113.56 1xfe s ARG 30 Ca 0.44 1.81 0.07 0.00 -0.52 0.00 0.00 55.73 57.54 1xfe s ARG 30 Cb 0.01 -3.59 -0.10 0.00 0.52 0.00 0.00 34.95 31.79 1xfe s ARG 30 CO 0.25 -0.53 0.07 -3.47 0.02 0.00 0.00 175.30 171.64 1xfe n ASP 31 N 5.40 3.09 -4.26 0.23 -0.08 -1.26 -5.05 116.55 114.62 1xfe n ASP 31 Ca 0.12 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.17 1xfe n ASP 31 Cb 0.45 0.86 -0.02 0.00 2.34 0.00 0.00 41.12 44.75 1xfe n ASP 31 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xfe n ARG 33 N -1.33 0.65 -2.08 0.00 1.74 -1.26 -4.38 116.66 110.00 1xfe n ARG 33 Ca -0.08 0.10 -0.19 0.00 -0.77 0.00 0.00 57.85 56.91 1xfe n ARG 33 Cb 0.52 -1.67 0.03 0.00 -1.02 0.00 0.00 32.46 30.32 1xfe n ARG 33 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1xfe n ASP 34 N -2.80 4.27 -2.57 0.55 8.00 -1.26 -4.94 116.55 117.80 1xfe n ASP 34 Ca -0.19 -3.48 -0.06 0.00 0.71 0.00 0.00 54.79 51.76 1xfe n ASP 34 Cb 0.97 -0.37 -0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1xfe n ASP 34 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1xfe n TRP 35 N -0.70 -1.78 0.17 1.24 7.02 -1.26 -4.77 117.44 117.37 1xfe n TRP 35 Ca 0.37 0.04 0.03 0.00 -1.02 0.00 0.00 57.50 56.92 1xfe n TRP 35 Cb 0.93 -1.68 0.39 0.00 -2.42 0.00 0.00 31.31 28.54 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 -0.06 0.07 0.49 -0.99 0.87 -1.92 -2.85 113.55 109.16 1xfe h SER 36 Ca -0.13 -0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.26 1xfe h SER 36 Cb 1.09 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.01 1xfe h SER 36 CO 0.16 0.35 -1.64 -0.67 -0.53 0.00 0.00 176.83 174.50 1xfe n ASP 37 N -4.19 0.56 -3.66 6.23 -0.08 -1.26 -4.52 116.55 109.64 1xfe n ASP 37 Ca -0.02 0.24 -0.37 0.00 -1.51 0.00 0.00 54.79 53.13 1xfe n ASP 37 Cb 0.34 0.66 -0.01 0.00 2.34 0.00 0.00 41.12 44.45 1xfe n ASP 37 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1xfe n GLU 38 N -2.73 4.21 -2.16 -0.67 4.71 -1.08 -1.20 120.64 121.73 1xfe n GLU 38 Ca -0.11 -4.65 -0.34 0.00 -0.01 0.00 0.00 57.16 52.05 1xfe n GLU 38 Cb 0.81 -2.42 -0.04 0.00 -1.01 0.00 0.00 31.44 28.79 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 -3.24 2.77 0.22 3.49 0.04 -1.23 -4.85 135.00 132.20 1xfe s PRO 39 Ca 0.37 -0.09 -0.07 0.00 0.04 0.00 0.00 61.00 61.25 1xfe s PRO 39 Cb 0.14 -4.79 0.32 0.00 0.04 0.00 0.00 34.50 30.21 1xfe s PRO 39 CO -0.01 -2.89 1.77 0.82 0.04 0.00 0.00 177.00 176.73 1xfe h ILE 40 N 6.96 0.84 0.00 0.56 1.08 -1.94 1.25 117.51 126.25 1xfe h ILE 40 Ca -0.05 -0.20 -0.15 0.00 -0.39 0.00 0.00 64.86 64.08 1xfe h ILE 40 Cb 1.06 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 1xfe h ILE 40 CO 1.25 0.10 -0.72 0.50 -0.69 0.00 0.00 178.15 178.59 1xfe h LYS 41 N 0.57 0.00 -0.03 2.37 3.64 -1.97 -3.27 116.57 117.88 1xfe h LYS 41 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1xfe h LYS 41 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1xfe h LYS 41 CO -0.27 0.72 -0.05 0.39 -2.27 0.00 0.00 179.45 177.97 1xfe n GLU 42 N -3.29 2.11 -0.06 1.90 4.71 -0.83 -4.23 120.64 120.96 1xfe n GLU 42 Ca 0.01 -1.69 -0.02 0.00 -0.01 0.00 0.00 57.16 55.45 1xfe n GLU 42 Cb 0.82 -1.46 -0.01 0.00 -1.01 0.00 0.00 31.44 29.78 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 1.72 4.47 3.85 0.00 0.00 -1.25 -4.23 105.19 109.74 1xfe n GLY 44 Ca -0.03 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.86 4.79 -0.50 2.61 2.01 -1.26 -5.03 115.64 115.40 1xfe s THR 45 Ca 0.39 0.81 0.07 0.00 0.31 0.00 0.00 61.69 63.27 1xfe s THR 45 Cb 0.31 -3.69 0.24 0.00 0.01 0.00 0.00 72.50 69.38 1xfe s THR 45 CO 0.00 0.04 0.60 -3.20 -0.69 0.00 0.00 174.62 171.37 1xfe n ASN 46 N 0.21 1.68 0.04 3.53 2.85 -1.26 -4.85 115.26 117.46 1xfe n ASN 46 Ca -0.01 -3.00 -0.09 0.00 -0.11 0.00 0.00 54.58 51.37 1xfe n ASN 46 Cb 0.52 -0.65 -0.13 0.00 1.24 0.00 0.00 39.78 40.76 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 4.20 0.05 0.00 1.20 3.07 -1.96 -3.24 114.58 117.89 1xfe h GLU 47 Ca 0.13 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1xfe h GLU 47 Cb 0.79 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1xfe h GLU 47 CO 0.62 0.91 0.00 0.00 -1.40 0.00 0.00 179.01 179.13 1xfe n LEU 49 N -0.94 0.10 0.00 0.00 4.32 -1.26 0.17 117.00 119.38 1xfe n LEU 49 Ca 0.00 0.46 0.00 0.00 -0.02 0.00 0.00 56.01 56.45 1xfe n LEU 49 Cb 0.00 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.33 1xfe n LEU 49 CO 0.00 -0.50 0.43 -0.67 -1.22 0.00 0.00 177.39 175.44 1xfe n ASP 50 N -1.57 0.00 0.00 -1.43 2.03 -1.06 -4.71 116.55 109.81 1xfe n ASP 50 Ca -0.00 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1xfe n ASP 50 Cb 0.11 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 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 -1.36 0.00 0.07 1.67 6.94 -0.98 -4.99 115.26 116.62 1xfe n ASN 51 Ca 0.00 0.00 -0.18 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 0.44 0.00 0.53 -1.07 -1.84 -3.43 115.58 110.20 1xfe h ASN 52 Ca 0.00 -0.59 -0.03 0.00 0.07 0.00 0.00 56.30 55.75 1xfe h ASN 52 Cb 0.00 -0.14 -0.03 0.00 -2.07 0.00 0.00 38.32 36.08 1xfe h ASN 52 CO 0.00 1.49 -0.06 0.61 0.07 0.00 0.00 177.43 179.53 1xfe n GLY 53 N 1.68 -0.21 4.16 9.14 0.00 -1.22 -4.76 105.19 113.97 1xfe n GLY 53 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.91 0.00 -0.02 0.00 0.44 -1.32 105.19 105.20 1xfe n GLY 54 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.29 0.00 0.00 0.00 7.64 -1.10 -3.79 113.62 115.08 1xfe n SER 56 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1xfe n SER 56 Cb 0.00 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.32 0.00 -3.76 1.43 8.25 -1.26 -3.46 115.22 115.10 1xfe n HIS 57 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 1xfe n HIS 57 Cb 0.00 -0.08 -0.17 0.00 1.12 0.00 0.00 29.99 30.86 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 -0.84 0.42 -0.10 1.59 -7.23 -1.25 -4.40 120.40 108.59 1xfe s VAL 58 Ca 0.00 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.06 1xfe s VAL 58 Cb 0.00 -0.70 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 1xfe s VAL 58 CO 0.00 0.09 -0.11 0.00 -0.31 0.00 0.00 175.10 174.78 1xfe s ASN 60 N -0.18 6.12 -0.32 0.00 4.22 -0.51 -4.62 114.94 119.65 1xfe s ASN 60 Ca 0.01 -0.20 -0.19 0.00 -2.14 0.00 0.00 52.86 50.34 1xfe s ASN 60 Cb -0.13 -2.16 -0.01 0.00 1.28 0.00 0.00 41.25 40.23 1xfe s ASN 60 CO 0.03 -0.23 0.58 -0.62 -2.04 0.00 0.00 177.10 174.82 1xfe s ASP 61 N 1.72 6.42 0.24 3.54 2.15 -1.26 -1.35 116.67 128.13 1xfe s ASP 61 Ca 0.09 0.24 0.05 0.00 0.43 0.00 0.00 52.55 53.37 1xfe s ASP 61 Cb -0.17 -2.30 -0.03 0.00 -0.30 0.00 0.00 42.92 40.12 1xfe s ASP 61 CO 0.11 -0.48 0.32 -0.76 -0.17 0.00 0.00 175.17 174.20 1xfe s LEU 62 N 2.53 4.21 0.50 -1.34 1.43 -0.69 -4.93 118.68 120.40 1xfe s LEU 62 Ca 0.22 0.00 0.27 0.00 -1.03 0.00 0.00 54.13 53.60 1xfe s LEU 62 Cb -0.15 -2.75 1.33 0.00 0.03 0.00 0.00 46.19 44.65 1xfe s LEU 62 CO 0.13 -0.06 2.01 0.11 0.23 0.00 0.00 176.35 178.76 1xfe h LYS 63 N 1.24 0.00 -0.19 1.70 1.57 -1.77 -2.67 116.57 116.45 1xfe h LYS 63 Ca -0.51 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.19 1xfe h LYS 63 Cb 1.23 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.50 1xfe h LYS 63 CO 0.61 0.14 -0.15 1.51 -0.57 0.00 0.00 179.45 180.99 1xfe n ILE 64 N -3.54 2.31 0.00 1.86 0.13 -1.26 -2.90 119.36 115.97 1xfe n ILE 64 Ca -0.01 -2.64 0.00 0.00 -1.10 0.00 0.00 62.75 59.00 1xfe n ILE 64 Cb 0.29 -0.28 0.00 0.00 -0.84 0.00 0.00 39.64 38.81 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 -1.07 4.58 3.66 4.50 0.00 -1.01 -5.11 105.19 110.74 1xfe n GLY 65 Ca 0.25 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.75 3.19 0.39 1.61 1.13 -1.26 -1.70 117.35 119.96 1xfe s TYR 66 Ca 0.00 0.12 0.04 0.00 -1.41 0.00 0.00 57.07 55.82 1xfe s TYR 66 Cb 0.00 -1.89 -0.06 0.00 -1.10 0.00 0.00 41.96 38.92 1xfe s TYR 66 CO 0.00 0.35 0.05 -1.83 -2.51 0.00 0.00 175.55 171.60 1xfe s GLU 67 N -0.45 1.86 -0.13 -3.49 1.03 -0.45 -4.92 118.70 112.15 1xfe s GLU 67 Ca 0.09 -2.08 -0.10 0.00 0.03 0.00 0.00 54.97 52.90 1xfe s GLU 67 Cb -0.12 -1.15 -0.05 0.00 -0.80 0.00 0.00 34.13 32.01 1xfe s GLU 67 CO 0.02 -0.22 0.21 0.00 -1.33 0.00 0.00 175.26 173.94 1xfe s LEU 69 N -0.45 2.26 0.00 0.00 1.43 0.38 -4.87 118.68 117.43 1xfe s LEU 69 Ca 0.15 -1.64 0.00 0.00 -1.03 0.00 0.00 54.13 51.61 1xfe s LEU 69 Cb -0.13 -0.76 0.00 0.00 0.03 0.00 0.00 46.19 45.33 1xfe s LEU 69 CO 0.04 -0.96 0.00 0.00 0.23 0.00 0.00 176.35 175.66 1xfe n PRO 71 N -0.37 -1.93 -1.45 0.00 -0.04 -1.26 -4.95 135.00 125.00 1xfe n PRO 71 Ca 0.00 -0.55 -0.30 0.00 -0.04 0.00 0.00 63.50 62.61 1xfe n PRO 71 Cb 0.00 -1.81 0.10 0.00 -0.04 0.00 0.00 33.50 31.75 1xfe n PRO 71 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xfe s ASP 72 N -1.97 4.32 -1.42 3.54 1.11 -1.26 -3.55 116.67 117.43 1xfe s ASP 72 Ca 0.59 1.42 0.00 0.00 0.18 0.00 0.00 52.55 54.74 1xfe s ASP 72 Cb -0.15 -2.15 0.00 0.00 1.07 0.00 0.00 42.92 41.69 1xfe s ASP 72 CO 0.66 -2.09 0.00 0.61 1.18 0.00 0.00 175.17 175.52 1xfe n GLY 73 N -1.78 1.28 3.99 0.21 0.00 -1.26 -4.96 105.19 102.67 1xfe n GLY 73 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.13 2.92 -0.22 1.61 0.40 -1.23 -5.07 117.98 114.26 1xfe s PHE 74 Ca 0.00 -0.34 -0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1xfe s PHE 74 Cb 0.00 -2.21 0.07 0.00 0.51 0.00 0.00 43.02 41.38 1xfe s PHE 74 CO 0.00 -0.24 0.03 -1.14 0.70 0.00 0.00 175.22 174.57 1xfe s GLN 75 N -4.26 0.82 -0.56 0.44 0.74 -1.26 -4.91 119.66 110.66 1xfe s GLN 75 Ca 0.51 -0.61 -0.28 0.00 0.05 0.00 0.00 55.36 55.03 1xfe s GLN 75 Cb -0.09 -2.17 0.01 0.00 1.10 0.00 0.00 33.01 31.86 1xfe s GLN 75 CO 0.32 -0.69 1.50 -1.17 -0.55 0.00 0.00 175.29 174.70 1xfe s LEU 76 N 1.75 3.38 -0.03 3.68 2.96 -1.25 0.15 118.68 129.31 1xfe s LEU 76 Ca -0.00 0.32 -0.09 0.00 -0.22 0.00 0.00 54.13 54.14 1xfe s LEU 76 Cb -0.17 -2.98 -0.05 0.00 0.50 0.00 0.00 46.19 43.49 1xfe s LEU 76 CO -0.10 -1.82 0.26 0.54 -1.32 0.00 0.00 176.35 173.91 1xfe s VAL 77 N 6.55 5.30 -0.15 1.68 0.11 0.83 -4.23 120.40 130.49 1xfe s VAL 77 Ca 0.55 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.95 1xfe s VAL 77 Cb -0.12 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 1xfe s VAL 77 CO 0.24 0.50 0.00 0.00 -3.33 0.00 0.00 175.10 172.51 1xfe n ALA 78 N 1.56 -0.02 -1.16 1.54 0.00 -1.26 0.68 120.51 121.85 1xfe n ALA 78 Ca -0.15 0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 1xfe n ALA 78 Cb 0.53 -0.50 -0.02 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 -2.85 -1.54 0.00 0.00 6.02 -1.26 -4.45 117.38 113.30 1xfe n GLN 79 Ca -0.01 0.64 0.00 0.00 -0.01 0.00 0.00 57.00 57.62 1xfe n GLN 79 Cb 0.06 -4.90 0.00 0.00 1.02 0.00 0.00 30.24 26.42 1xfe n GLN 79 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1xfe n ARG 80 N -0.53 0.00 -2.51 -1.09 1.74 -1.21 -4.82 116.66 108.24 1xfe n ARG 80 Ca -0.06 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.72 1xfe n ARG 80 Cb 0.47 -0.12 -0.02 0.00 -1.02 0.00 0.00 32.46 31.77 1xfe n ARG 80 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1xfe s ARG 81 N -1.00 3.80 0.14 5.56 1.81 0.22 -2.72 118.95 126.76 1xfe s ARG 81 Ca 0.00 0.68 0.09 0.00 -1.72 0.00 0.00 55.73 54.78 1xfe s ARG 81 Cb 0.00 -2.24 -0.04 0.00 -0.45 0.00 0.00 34.95 32.22 1xfe s ARG 81 CO 0.00 -0.22 -0.14 0.00 -0.68 0.00 0.00 175.30 174.26