#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 6.43 -0.03 1.61 3.84 -1.26 -5.06 114.94 120.46 1xfe s ASN 2 Ca 0.00 0.50 -0.25 0.00 0.21 0.00 0.00 52.86 53.32 1xfe s ASN 2 Cb 0.00 -2.20 -0.04 0.00 -0.55 0.00 0.00 41.25 38.46 1xfe s ASN 2 CO 0.00 0.04 0.76 0.68 -2.79 0.00 0.00 177.10 175.79 1xfe s VAL 3 N 0.76 4.95 -0.31 -5.21 -7.23 -1.26 -5.04 120.40 107.07 1xfe s VAL 3 Ca 0.17 1.59 -0.00 0.00 -1.81 0.00 0.00 61.98 61.94 1xfe s VAL 3 Cb -0.14 -4.11 0.10 0.00 0.56 0.00 0.00 36.38 32.80 1xfe s VAL 3 CO 0.05 0.26 0.09 0.42 -0.31 0.00 0.00 175.10 175.61 1xfe s THR 4 N 0.66 1.11 -1.71 5.32 -4.23 -1.26 -4.79 115.64 110.74 1xfe s THR 4 Ca 0.40 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 59.37 1xfe s THR 4 Cb -0.19 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 71.83 1xfe s THR 4 CO 0.21 -0.64 0.16 0.18 -0.54 0.00 0.00 174.62 173.99 1xfe n LEU 5 N 4.75 -2.12 -4.11 4.79 7.99 -1.26 -4.97 117.00 122.07 1xfe n LEU 5 Ca -0.01 -0.09 -0.33 0.00 -0.01 0.00 0.00 56.01 55.57 1xfe n LEU 5 Cb 0.42 -2.94 -0.16 0.00 -0.11 0.00 0.00 43.42 40.64 1xfe n LEU 5 CO 0.13 -0.10 -0.53 0.00 -1.51 0.00 0.00 177.39 175.39 1xfe s GLU 7 N 1.31 2.46 0.00 0.00 -1.05 -1.26 -5.00 118.70 115.16 1xfe s GLU 7 Ca 0.05 -0.82 0.00 0.00 -0.15 0.00 0.00 54.97 54.05 1xfe s GLU 7 Cb -0.13 -2.04 0.00 0.00 -0.44 0.00 0.00 34.13 31.52 1xfe s GLU 7 CO -0.13 0.30 0.00 0.41 0.95 0.00 0.00 175.26 176.79 1xfe n GLY 8 N 3.14 3.51 0.19 -3.83 0.00 -1.26 -4.94 105.19 102.00 1xfe n GLY 8 Ca -0.18 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 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 0.46 -2.02 1.61 0.11 -2.03 -2.92 132.00 127.21 1xfe h PRO 9 Ca 0.00 -0.03 -0.77 0.00 0.11 0.00 0.00 66.00 65.32 1xfe h PRO 9 Cb 0.00 -0.10 -0.28 0.00 0.11 0.00 0.00 31.00 30.73 1xfe h PRO 9 CO 0.00 0.30 0.96 0.27 -0.21 0.00 0.00 178.00 179.32 1xfe n ASN 10 N -4.89 7.34 -4.90 -2.05 6.94 -1.26 -4.99 115.26 111.45 1xfe n ASN 10 Ca 0.03 -3.81 -0.20 0.00 -0.02 0.00 0.00 54.58 50.58 1xfe n ASN 10 Cb 0.11 -1.05 -0.02 0.00 -2.36 0.00 0.00 39.78 36.45 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 -4.09 2.89 0.00 -3.83 3.01 -1.10 -3.13 119.74 113.49 1xfe s LYS 11 Ca 0.50 -1.17 0.00 0.00 -1.01 0.00 0.00 55.97 54.29 1xfe s LYS 11 Cb 0.40 -2.61 -0.00 0.00 -1.01 0.00 0.00 37.83 34.60 1xfe s LYS 11 CO -0.36 0.10 -0.02 0.12 0.51 0.00 0.00 175.35 175.71 1xfe s PHE 12 N -2.25 0.13 -0.21 3.18 2.19 0.30 -4.52 117.98 116.80 1xfe s PHE 12 Ca 0.42 -0.08 0.01 0.00 0.33 0.00 0.00 56.93 57.62 1xfe s PHE 12 Cb -0.07 -0.09 0.04 0.00 -1.31 0.00 0.00 43.02 41.59 1xfe s PHE 12 CO 0.28 -0.02 -0.12 -1.59 1.83 0.00 0.00 175.22 175.60 1xfe s LYS 13 N -0.19 2.23 0.00 10.12 -2.85 -1.25 -0.53 119.74 127.27 1xfe s LYS 13 Ca -0.01 -0.96 0.00 0.00 -1.00 0.00 0.00 55.97 54.00 1xfe s LYS 13 Cb -0.02 -2.56 0.00 0.00 -2.06 0.00 0.00 37.83 33.20 1xfe s LYS 13 CO -0.00 -0.43 0.00 0.00 0.10 0.00 0.00 175.35 175.02 1xfe h HIS 15 N -1.73 0.15 -0.00 0.00 2.76 -1.93 -3.22 115.15 111.18 1xfe h HIS 15 Ca 0.00 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 1xfe h HIS 15 Cb 0.00 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 28.95 1xfe h HIS 15 CO 0.00 1.09 -0.20 0.43 -1.30 0.00 0.00 177.93 177.95 1xfe n SER 16 N -3.40 0.44 -0.49 3.26 7.64 -1.26 -4.94 113.62 114.87 1xfe n SER 16 Ca -0.03 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1xfe n SER 16 Cb 0.97 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 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 1.38 0.78 3.03 0.23 0.00 -1.21 -5.10 105.19 104.30 1xfe n GLY 17 Ca 0.11 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1xfe n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xfe s GLU 18 N -2.32 2.34 -0.40 1.61 0.41 -1.26 -4.88 118.70 114.20 1xfe s GLU 18 Ca 0.00 -0.58 -0.25 0.00 -0.41 0.00 0.00 54.97 53.73 1xfe s GLU 18 Cb 0.00 -2.11 0.02 0.00 -1.78 0.00 0.00 34.13 30.25 1xfe s GLU 18 CO 0.00 -0.21 0.91 0.00 -0.49 0.00 0.00 175.26 175.46 1xfe s ILE 20 N 3.51 0.00 0.35 0.00 -4.36 0.31 -4.92 121.20 116.09 1xfe s ILE 20 Ca 0.37 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.49 1xfe s ILE 20 Cb -0.12 -2.50 -0.09 0.00 1.25 0.00 0.00 42.46 41.00 1xfe s ILE 20 CO 0.21 0.00 1.09 -0.89 0.24 0.00 0.00 174.94 175.58 1xfe s THR 21 N -3.71 3.54 0.18 8.37 2.01 -1.26 0.11 115.64 124.89 1xfe s THR 21 Ca 0.40 1.35 0.10 0.00 0.31 0.00 0.00 61.69 63.86 1xfe s THR 21 Cb 0.04 -3.78 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 1xfe s THR 21 CO 0.22 0.17 1.50 0.17 -0.69 0.00 0.00 174.62 175.99 1xfe h LEU 22 N 3.08 0.00 -0.11 4.42 8.10 -1.78 -3.34 115.31 125.67 1xfe h LEU 22 Ca -0.48 0.00 0.03 0.00 0.11 0.00 0.00 57.88 57.54 1xfe h LEU 22 Cb 1.22 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.38 1xfe h LEU 22 CO 0.64 0.72 -0.48 0.44 -4.11 0.00 0.00 178.44 175.65 1xfe h ASP 23 N 0.00 -1.53 0.00 0.17 5.19 -1.92 0.26 116.42 118.59 1xfe h ASP 23 Ca -0.01 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1xfe h ASP 23 Cb 1.33 0.60 0.00 0.00 0.18 0.00 0.00 39.33 41.43 1xfe h ASP 23 CO 0.09 -0.43 0.00 2.29 -3.12 0.00 0.00 179.24 178.07 1xfe n LYS 24 N -5.10 0.09 -1.73 3.56 -0.00 -1.25 -4.77 118.16 108.96 1xfe n LYS 24 Ca -0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.83 1xfe n LYS 24 Cb 0.34 -1.01 -0.03 0.00 -0.00 0.00 0.00 35.03 34.34 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 -0.38 0.38 -2.36 0.58 0.31 0.93 -1.46 118.33 116.33 1xfe n VAL 25 Ca 0.00 -0.10 -0.19 0.00 -0.01 0.00 0.00 64.34 64.05 1xfe n VAL 25 Cb 0.00 -1.96 -0.01 0.00 -0.91 0.00 0.00 33.84 30.96 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 -1.56 -3.26 0.09 0.00 6.94 -0.54 -4.93 115.26 112.01 1xfe n ASN 27 Ca -0.22 -0.55 -0.00 0.00 -0.02 0.00 0.00 54.58 53.79 1xfe n ASN 27 Cb 0.67 -0.60 -0.04 0.00 -2.36 0.00 0.00 39.78 37.45 1xfe n ASN 27 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xfe h MET 28 N 0.00 0.00 -6.32 -3.83 -0.00 -1.94 -3.47 114.93 99.38 1xfe h MET 28 Ca -0.24 0.00 -0.46 0.00 -0.00 0.00 0.00 59.70 59.01 1xfe h MET 28 Cb 0.80 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.40 1xfe h MET 28 CO 0.14 0.51 -0.31 0.00 -0.00 0.00 0.00 176.91 177.26 1xfe s ALA 29 N -2.90 4.33 0.37 -3.00 0.00 -1.26 -5.08 121.76 114.23 1xfe s ALA 29 Ca 0.01 -1.77 -0.28 0.00 0.00 0.00 0.00 51.96 49.92 1xfe s ALA 29 Cb 0.08 -1.34 -0.10 0.00 0.00 0.00 0.00 23.12 21.76 1xfe s ALA 29 CO 0.78 -0.27 1.39 1.03 0.00 0.00 0.00 175.76 178.68 1xfe s ARG 30 N -4.26 4.12 -0.10 0.00 0.52 -1.26 -4.94 118.95 113.03 1xfe s ARG 30 Ca 0.52 2.36 0.04 0.00 -0.52 0.00 0.00 55.73 58.13 1xfe s ARG 30 Cb -0.07 -2.93 -0.09 0.00 0.52 0.00 0.00 34.95 32.38 1xfe s ARG 30 CO 0.31 -0.44 -0.03 -0.40 0.02 0.00 0.00 175.30 174.75 1xfe n ASP 31 N 0.44 3.04 -0.63 0.23 5.68 -1.26 -5.07 116.55 118.98 1xfe n ASP 31 Ca 0.02 -0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1xfe n ASP 31 Cb 0.41 0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 1xfe n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xfe n ARG 33 N 0.00 0.68 0.00 0.00 3.00 -1.26 -4.26 116.66 114.82 1xfe n ARG 33 Ca 0.00 0.15 0.13 0.00 -0.00 0.00 0.00 57.85 58.14 1xfe n ARG 33 Cb 0.00 -1.59 0.49 0.00 0.00 0.00 0.00 32.46 31.36 1xfe n ARG 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1xfe n ASP 34 N -3.17 0.18 -1.55 6.15 8.00 -1.26 -4.91 116.55 119.99 1xfe n ASP 34 Ca -0.37 0.24 -0.19 0.00 0.71 0.00 0.00 54.79 55.18 1xfe n ASP 34 Cb 1.05 -0.24 -0.07 0.00 -0.02 0.00 0.00 41.12 41.83 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 -1.51 -0.11 0.23 1.24 7.02 -1.26 -4.84 117.44 118.20 1xfe n TRP 35 Ca 0.06 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.60 1xfe n TRP 35 Cb 0.34 -3.28 0.52 0.00 -2.42 0.00 0.00 31.31 26.47 1xfe n TRP 35 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1xfe h SER 36 N 0.00 0.00 1.12 -0.99 4.64 -1.93 -1.84 113.55 114.55 1xfe h SER 36 Ca -0.40 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.82 1xfe h SER 36 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1xfe h SER 36 CO 0.57 0.19 -0.51 -0.78 -0.87 0.00 0.00 176.83 175.43 1xfe h ASP 37 N 0.00 0.00 -2.68 4.97 1.82 -1.92 -3.35 116.42 115.26 1xfe h ASP 37 Ca -0.00 0.00 -0.75 0.00 -0.39 0.00 0.00 57.03 55.89 1xfe h ASP 37 Cb 0.35 0.00 -0.32 0.00 0.68 0.00 0.00 39.33 40.04 1xfe h ASP 37 CO 0.02 0.51 0.37 -0.62 -1.61 0.00 0.00 179.24 177.92 1xfe n GLU 38 N -3.40 3.93 -2.35 0.28 1.02 -0.69 -3.25 120.64 116.18 1xfe n GLU 38 Ca 0.01 -4.60 -0.38 0.00 -0.02 0.00 0.00 57.16 52.17 1xfe n GLU 38 Cb 0.65 -2.43 -0.03 0.00 -0.02 0.00 0.00 31.44 29.61 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 -2.76 3.06 0.26 3.49 0.04 -1.25 -4.86 135.00 132.97 1xfe s PRO 39 Ca 0.34 -0.28 -0.02 0.00 0.04 0.00 0.00 61.00 61.08 1xfe s PRO 39 Cb 0.09 -4.68 0.53 0.00 0.04 0.00 0.00 34.50 30.48 1xfe s PRO 39 CO 0.07 -2.50 1.74 0.82 0.04 0.00 0.00 177.00 177.16 1xfe h ILE 40 N 6.63 0.66 0.00 0.56 2.04 -1.90 1.03 117.51 126.53 1xfe h ILE 40 Ca -0.09 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 1xfe h ILE 40 Cb 1.06 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1xfe h ILE 40 CO 1.29 0.09 -0.36 0.50 0.00 0.00 0.00 178.15 179.68 1xfe h LYS 41 N 0.51 0.00 -0.03 2.37 1.63 -1.96 -2.88 116.57 116.21 1xfe h LYS 41 Ca 0.46 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.26 1xfe h LYS 41 Cb 0.70 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 1xfe h LYS 41 CO -0.41 0.36 -0.06 0.39 -3.45 0.00 0.00 179.45 176.28 1xfe n GLU 42 N -3.70 2.16 -3.73 1.90 -0.58 0.49 -4.60 120.64 112.57 1xfe n GLU 42 Ca -0.01 -1.80 -0.36 0.00 -0.42 0.00 0.00 57.16 54.57 1xfe n GLU 42 Cb 0.45 -1.46 -0.09 0.00 -0.57 0.00 0.00 31.44 29.77 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 4.08 0.21 3.56 0.00 0.00 -1.26 -4.89 105.19 106.89 1xfe n GLY 44 Ca -0.15 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.40 3.78 -1.08 2.61 2.01 -1.26 -4.91 115.64 115.39 1xfe s THR 45 Ca 0.00 0.55 -0.19 0.00 0.31 0.00 0.00 61.69 62.37 1xfe s THR 45 Cb 0.00 -4.78 -0.07 0.00 0.01 0.00 0.00 72.50 67.67 1xfe s THR 45 CO 0.00 -1.61 2.05 -3.20 -0.69 0.00 0.00 174.62 171.17 1xfe n ASN 46 N 9.33 3.15 0.05 3.53 2.85 -1.26 -4.55 115.26 128.36 1xfe n ASN 46 Ca 0.06 -2.75 -0.06 0.00 -0.11 0.00 0.00 54.58 51.72 1xfe n ASN 46 Cb 0.49 -1.37 -0.11 0.00 1.24 0.00 0.00 39.78 40.03 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 7.14 0.00 0.00 1.20 5.08 -1.96 -3.23 114.58 122.82 1xfe h GLU 47 Ca 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1xfe h GLU 47 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1xfe h GLU 47 CO 1.90 0.81 0.00 0.00 -1.00 0.00 0.00 179.01 180.72 1xfe n LEU 49 N -1.23 0.13 0.00 0.00 4.77 -1.26 0.20 117.00 119.62 1xfe n LEU 49 Ca 0.00 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1xfe n LEU 49 Cb 0.00 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1xfe n LEU 49 CO 0.00 -0.51 0.47 -0.67 -1.33 0.00 0.00 177.39 175.35 1xfe n ASP 50 N -1.61 0.00 0.00 -1.43 2.03 -0.97 -4.69 116.55 109.88 1xfe n ASP 50 Ca -0.00 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.75 1xfe n ASP 50 Cb 0.14 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 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 -1.44 0.00 0.09 1.67 6.94 -0.91 -5.00 115.26 116.61 1xfe n ASN 51 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 54.58 54.40 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 0.41 0.00 0.53 -1.07 -1.83 -3.43 115.58 110.19 1xfe h ASN 52 Ca 0.00 -0.48 -0.01 0.00 0.07 0.00 0.00 56.30 55.89 1xfe h ASN 52 Cb 0.00 -0.13 -0.01 0.00 -2.07 0.00 0.00 38.32 36.11 1xfe h ASN 52 CO 0.00 1.38 -0.01 0.61 0.07 0.00 0.00 177.43 179.48 1xfe n GLY 53 N 1.57 -0.30 3.57 9.14 0.00 -1.25 -4.74 105.19 113.17 1xfe n GLY 53 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 1.24 0.26 -0.02 0.00 0.54 -0.76 105.19 106.45 1xfe n GLY 54 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.90 -0.00 0.00 7.64 -0.95 -4.36 113.62 112.42 1xfe n SER 56 Ca 0.00 0.54 -0.01 0.00 1.01 0.00 0.00 58.87 60.41 1xfe n SER 56 Cb 0.00 1.98 -0.00 0.00 -1.01 0.00 0.00 64.21 65.18 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 -2.93 0.00 -3.73 1.43 8.25 -1.26 -3.91 115.22 113.07 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 -0.17 0.00 1.12 0.00 0.00 29.99 30.91 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 -1.21 0.37 -0.13 1.59 -7.23 -1.19 -4.38 120.40 108.22 1xfe s VAL 58 Ca -0.02 -0.25 -0.01 0.00 -1.81 0.00 0.00 61.98 59.89 1xfe s VAL 58 Cb 0.00 -0.78 -0.02 0.00 0.56 0.00 0.00 36.38 36.14 1xfe s VAL 58 CO 0.03 -0.05 -0.09 0.00 -0.31 0.00 0.00 175.10 174.68 1xfe s ASN 60 N 0.13 6.34 -0.43 0.00 -0.87 0.34 -4.59 114.94 115.87 1xfe s ASN 60 Ca -0.04 -0.17 -0.20 0.00 -1.57 0.00 0.00 52.86 50.88 1xfe s ASN 60 Cb -0.14 -2.31 0.02 0.00 -0.02 0.00 0.00 41.25 38.80 1xfe s ASN 60 CO 0.04 -0.67 0.61 -0.62 -2.57 0.00 0.00 177.10 173.88 1xfe s ASP 61 N 1.90 6.31 0.42 -1.22 -1.08 -1.26 1.00 116.67 122.74 1xfe s ASP 61 Ca 0.22 -0.34 0.03 0.00 -0.52 0.00 0.00 52.55 51.94 1xfe s ASP 61 Cb -0.15 -2.30 -0.00 0.00 -1.46 0.00 0.00 42.92 39.01 1xfe s ASP 61 CO 0.17 -0.73 0.61 -0.76 0.52 0.00 0.00 175.17 174.98 1xfe s LEU 62 N 2.70 3.72 0.53 -1.34 1.43 -0.82 -4.92 118.68 119.99 1xfe s LEU 62 Ca 0.21 0.07 0.34 0.00 -1.03 0.00 0.00 54.13 53.72 1xfe s LEU 62 Cb -0.15 -2.97 1.49 0.00 0.03 0.00 0.00 46.19 44.59 1xfe s LEU 62 CO 0.18 -0.65 2.01 0.11 0.23 0.00 0.00 176.35 178.22 1xfe h LYS 63 N 0.54 0.00 -0.05 1.70 1.57 -1.96 -2.88 116.57 115.50 1xfe h LYS 63 Ca -0.45 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1xfe h LYS 63 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1xfe h LYS 63 CO 0.55 0.00 -0.38 1.51 -0.57 0.00 0.00 179.45 180.56 1xfe n ILE 64 N -2.98 2.21 0.00 1.86 0.13 -1.24 -2.46 119.36 116.89 1xfe n ILE 64 Ca 0.00 -3.05 0.00 0.00 -1.10 0.00 0.00 62.75 58.60 1xfe n ILE 64 Cb 0.26 -0.25 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 -1.15 4.35 3.85 4.50 0.00 -1.09 -5.08 105.19 110.57 1xfe n GLY 65 Ca 0.20 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.81 3.67 0.24 1.61 -0.85 -1.26 -1.94 117.35 118.02 1xfe s TYR 66 Ca 0.00 0.95 0.10 0.00 -0.52 0.00 0.00 57.07 57.60 1xfe s TYR 66 Cb 0.00 -2.26 -0.05 0.00 0.38 0.00 0.00 41.96 40.03 1xfe s TYR 66 CO 0.00 0.58 -0.18 -1.83 -1.52 0.00 0.00 175.55 172.60 1xfe s GLU 67 N -1.43 1.52 -0.10 -3.49 1.03 0.28 -4.91 118.70 111.60 1xfe s GLU 67 Ca 0.28 -1.67 -0.10 0.00 0.03 0.00 0.00 54.97 53.51 1xfe s GLU 67 Cb -0.16 -1.50 -0.05 0.00 -0.80 0.00 0.00 34.13 31.63 1xfe s GLU 67 CO 0.16 0.27 0.21 0.00 -1.33 0.00 0.00 175.26 174.57 1xfe s LEU 69 N -0.79 2.47 0.07 0.00 1.43 0.34 -4.80 118.68 117.40 1xfe s LEU 69 Ca 0.17 -0.90 -0.17 0.00 -1.03 0.00 0.00 54.13 52.19 1xfe s LEU 69 Cb -0.13 -0.96 0.03 0.00 0.03 0.00 0.00 46.19 45.17 1xfe s LEU 69 CO 0.06 0.01 0.39 0.00 0.23 0.00 0.00 176.35 177.03 1xfe n PRO 71 N 0.30 0.07 -1.25 0.00 -0.04 -1.26 -4.85 135.00 127.98 1xfe n PRO 71 Ca -0.18 0.07 -0.35 0.00 -0.04 0.00 0.00 63.50 63.00 1xfe n PRO 71 Cb 0.61 -1.76 0.10 0.00 -0.04 0.00 0.00 33.50 32.41 1xfe n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xfe n ASP 72 N -0.29 0.52 0.00 3.54 8.00 -1.26 -2.48 116.55 124.58 1xfe n ASP 72 Ca 0.08 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.20 1xfe n ASP 72 Cb 0.51 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 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 0.95 0.19 3.57 0.44 0.00 -1.26 -4.98 105.19 104.10 1xfe n GLY 73 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.40 2.83 -0.29 1.61 0.40 -1.03 -5.06 117.98 115.03 1xfe s PHE 74 Ca 0.00 -0.08 -0.05 0.00 -0.60 0.00 0.00 56.93 56.20 1xfe s PHE 74 Cb 0.00 -1.58 0.02 0.00 0.51 0.00 0.00 43.02 41.97 1xfe s PHE 74 CO 0.00 0.35 0.04 -0.65 0.70 0.00 0.00 175.22 175.67 1xfe s GLN 75 N -1.42 2.89 -0.03 0.44 -0.21 -1.13 -4.82 119.66 115.37 1xfe s GLN 75 Ca 0.17 -0.98 -0.30 0.00 0.02 0.00 0.00 55.36 54.27 1xfe s GLN 75 Cb -0.11 -3.28 -0.05 0.00 1.00 0.00 0.00 33.01 30.57 1xfe s GLN 75 CO 0.07 -0.49 1.53 -1.17 -2.12 0.00 0.00 175.29 173.11 1xfe s LEU 76 N 1.42 4.31 -0.09 2.90 0.20 -1.25 -2.30 118.68 123.86 1xfe s LEU 76 Ca 0.01 2.17 -0.06 0.00 0.69 0.00 0.00 54.13 56.94 1xfe s LEU 76 Cb -0.18 -3.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.00 1xfe s LEU 76 CO 0.01 -0.83 0.14 -0.69 -0.29 0.00 0.00 176.35 174.68 1xfe s VAL 77 N 3.25 5.40 -0.64 1.68 1.01 -1.17 -4.32 120.40 125.60 1xfe s VAL 77 Ca 0.68 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1xfe s VAL 77 Cb -0.32 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1xfe s VAL 77 CO 0.27 0.55 0.00 0.00 0.00 0.00 0.00 175.10 175.92 1xfe n ALA 78 N 1.74 -0.09 -0.97 5.51 0.00 -1.26 0.14 120.51 125.58 1xfe n ALA 78 Ca -0.18 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1xfe n ALA 78 Cb 0.54 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -2.63 -1.13 0.00 0.00 1.13 -1.26 -4.63 117.38 108.85 1xfe n GLN 79 Ca -0.06 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 1xfe n GLN 79 Cb 0.22 -4.19 0.00 0.00 0.11 0.00 0.00 30.24 26.38 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 -0.65 0.96 -2.10 -1.09 1.74 -1.16 -4.75 116.66 109.61 1xfe n ARG 80 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 1xfe n ARG 80 Cb 0.28 -0.08 0.09 0.00 -1.02 0.00 0.00 32.46 31.73 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 0.00 1.92 -0.28 5.56 3.00 0.12 -2.25 118.95 127.02 1xfe s ARG 81 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 55.73 55.51 1xfe s ARG 81 Cb 0.00 -2.07 0.09 0.00 0.00 0.00 0.00 34.95 32.97 1xfe s ARG 81 CO 0.00 -1.49 0.08 0.00 0.00 0.00 0.00 175.30 173.89