#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 4.14 0.06 1.61 0.01 -1.26 -5.03 114.94 114.48 1xfe s ASN 2 Ca 0.00 2.50 0.08 0.00 -0.71 0.00 0.00 52.86 54.73 1xfe s ASN 2 Cb 0.00 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 1xfe s ASN 2 CO 0.00 -2.31 -0.21 0.68 -1.51 0.00 0.00 177.10 173.75 1xfe s VAL 3 N -1.74 1.73 -0.77 1.60 -7.23 -1.26 -5.08 120.40 107.64 1xfe s VAL 3 Ca 0.78 -1.33 -0.26 0.00 -1.81 0.00 0.00 61.98 59.36 1xfe s VAL 3 Cb -0.33 -1.52 0.02 0.00 0.56 0.00 0.00 36.38 35.10 1xfe s VAL 3 CO 0.45 0.13 1.46 0.42 -0.31 0.00 0.00 175.10 177.24 1xfe s THR 4 N -0.92 3.67 -0.13 5.32 -4.23 -1.26 -4.92 115.64 113.17 1xfe s THR 4 Ca 0.08 0.12 -0.29 0.00 -1.18 0.00 0.00 61.69 60.41 1xfe s THR 4 Cb -0.09 -4.71 0.09 0.00 1.34 0.00 0.00 72.50 69.13 1xfe s THR 4 CO 0.03 -1.64 0.79 -0.22 -0.54 0.00 0.00 174.62 173.04 1xfe s LEU 5 N 6.48 -0.58 0.27 4.79 1.98 -1.26 -5.14 118.68 125.22 1xfe s LEU 5 Ca 0.45 0.76 -0.31 0.00 -2.89 0.00 0.00 54.13 52.15 1xfe s LEU 5 Cb -0.07 2.31 -0.12 0.00 0.66 0.00 0.00 46.19 48.96 1xfe s LEU 5 CO 0.11 -0.45 1.54 0.00 -1.89 0.00 0.00 176.35 175.66 1xfe s GLU 7 N -0.39 0.72 0.00 0.00 0.41 -1.26 -5.08 118.70 113.10 1xfe s GLU 7 Ca 0.66 -0.78 0.00 0.00 -0.41 0.00 0.00 54.97 54.44 1xfe s GLU 7 Cb -0.54 -0.65 0.00 0.00 -1.78 0.00 0.00 34.13 31.15 1xfe s GLU 7 CO 0.48 0.15 0.00 0.41 -0.49 0.00 0.00 175.26 175.81 1xfe n GLY 8 N 1.64 3.60 0.18 -1.39 0.00 -1.26 -4.75 105.19 103.21 1xfe n GLY 8 Ca -0.20 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.18 1xfe n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xfe h PRO 9 N 0.00 0.00 -0.99 1.61 0.13 -2.04 -3.00 132.00 127.71 1xfe h PRO 9 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 1xfe h PRO 9 Cb 0.00 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 30.83 1xfe h PRO 9 CO 0.00 0.40 0.73 0.27 -0.23 0.00 0.00 178.00 179.17 1xfe n ASN 10 N -3.72 5.23 -4.90 1.44 6.94 -1.26 -4.93 115.26 114.06 1xfe n ASN 10 Ca -0.01 -3.68 -0.28 0.00 -0.02 0.00 0.00 54.58 50.59 1xfe n ASN 10 Cb 0.48 -0.89 -0.02 0.00 -2.36 0.00 0.00 39.78 36.99 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 -3.50 3.65 -0.23 -3.83 0.00 -1.14 -2.03 119.74 112.66 1xfe s LYS 11 Ca 0.60 0.17 -0.25 0.00 0.00 0.00 0.00 55.97 56.49 1xfe s LYS 11 Cb 0.49 -2.51 0.07 0.00 0.00 0.00 0.00 37.83 35.88 1xfe s LYS 11 CO 0.06 0.04 0.69 0.12 0.00 0.00 0.00 175.35 176.26 1xfe s PHE 12 N -2.34 -0.75 -0.09 1.78 2.19 0.16 -3.96 117.98 114.97 1xfe s PHE 12 Ca 0.47 1.77 0.01 0.00 0.33 0.00 0.00 56.93 59.50 1xfe s PHE 12 Cb -0.10 0.28 -0.02 0.00 -1.31 0.00 0.00 43.02 41.86 1xfe s PHE 12 CO 0.34 -0.40 -0.10 -1.59 1.83 0.00 0.00 175.22 175.30 1xfe s LYS 13 N 0.17 2.99 0.52 10.12 -2.85 -1.26 0.11 119.74 129.54 1xfe s LYS 13 Ca -0.01 -0.62 -0.02 0.00 -1.00 0.00 0.00 55.97 54.32 1xfe s LYS 13 Cb -0.04 -2.59 0.01 0.00 -2.06 0.00 0.00 37.83 33.14 1xfe s LYS 13 CO 0.02 0.47 0.78 0.00 0.10 0.00 0.00 175.35 176.72 1xfe h HIS 15 N 0.12 0.00 -0.57 0.00 2.76 -1.93 0.59 115.15 116.12 1xfe h HIS 15 Ca -0.45 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 57.55 1xfe h HIS 15 Cb 1.26 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 30.12 1xfe h HIS 15 CO 0.44 0.00 0.22 0.43 -1.30 0.00 0.00 177.93 177.72 1xfe n SER 16 N -3.39 4.13 -1.91 3.26 7.64 -1.26 -4.87 113.62 117.22 1xfe n SER 16 Ca -0.01 -2.92 -0.18 0.00 1.01 0.00 0.00 58.87 56.76 1xfe n SER 16 Cb 0.20 -0.69 -0.02 0.00 -1.01 0.00 0.00 64.21 62.68 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 -0.06 0.09 3.18 0.23 0.00 0.20 -4.99 105.19 103.83 1xfe n GLY 17 Ca 0.32 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.67 -0.43 -3.63 1.61 1.02 -1.23 -4.82 120.64 110.49 1xfe n GLU 18 Ca -0.21 -2.01 -0.24 0.00 -0.02 0.00 0.00 57.16 54.69 1xfe n GLU 18 Cb 0.65 -0.78 -0.17 0.00 -0.02 0.00 0.00 31.44 31.11 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 2.16 0.13 0.32 0.00 -5.25 0.12 -4.95 121.20 113.72 1xfe s ILE 20 Ca 0.03 -2.00 -0.27 0.00 -0.99 0.00 0.00 60.65 57.42 1xfe s ILE 20 Cb -0.15 -2.49 -0.09 0.00 2.95 0.00 0.00 42.46 42.68 1xfe s ILE 20 CO -0.07 0.00 1.05 -0.89 -1.79 0.00 0.00 174.94 173.24 1xfe s THR 21 N -3.62 3.71 0.18 8.37 2.01 -1.26 0.40 115.64 125.42 1xfe s THR 21 Ca 0.38 1.55 0.06 0.00 0.31 0.00 0.00 61.69 63.99 1xfe s THR 21 Cb 0.04 -3.93 -0.14 0.00 0.01 0.00 0.00 72.50 68.49 1xfe s THR 21 CO 0.21 0.25 1.40 0.17 -0.69 0.00 0.00 174.62 175.96 1xfe h LEU 22 N 3.38 0.10 -0.03 4.42 8.10 -1.53 -3.36 115.31 126.39 1xfe h LEU 22 Ca -0.47 -0.09 0.02 0.00 0.11 0.00 0.00 57.88 57.45 1xfe h LEU 22 Cb 1.21 -0.03 -0.04 0.00 -0.44 0.00 0.00 40.66 41.36 1xfe h LEU 22 CO 0.65 0.91 -0.38 0.44 -4.11 0.00 0.00 178.44 175.95 1xfe h ASP 23 N 0.04 -1.18 0.00 0.17 5.19 -1.91 0.12 116.42 118.86 1xfe h ASP 23 Ca -0.02 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1xfe h ASP 23 Cb 1.49 0.45 0.00 0.00 0.18 0.00 0.00 39.33 41.45 1xfe h ASP 23 CO 0.12 -0.36 0.00 2.29 -3.12 0.00 0.00 179.24 178.17 1xfe n LYS 24 N -4.56 0.10 -1.76 3.56 -0.00 -1.26 -4.78 118.16 109.47 1xfe n LYS 24 Ca -0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.85 1xfe n LYS 24 Cb 0.27 -1.08 -0.00 0.00 -0.00 0.00 0.00 35.03 34.22 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 -0.58 1.81 -3.01 0.58 0.31 0.43 -2.26 118.33 115.60 1xfe n VAL 25 Ca 0.00 -0.45 -0.17 0.00 -0.01 0.00 0.00 64.34 63.71 1xfe n VAL 25 Cb 0.00 -1.94 0.04 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 n ASN 27 N -1.64 -1.37 0.11 0.00 6.94 -0.96 -4.97 115.26 113.37 1xfe n ASN 27 Ca -0.05 -1.07 0.01 0.00 -0.02 0.00 0.00 54.58 53.44 1xfe n ASN 27 Cb 0.58 -0.74 -0.01 0.00 -2.36 0.00 0.00 39.78 37.24 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 -6.46 -3.83 -0.00 -1.95 -3.46 114.93 99.23 1xfe h MET 28 Ca -0.31 0.00 -0.42 0.00 -0.00 0.00 0.00 59.70 58.97 1xfe h MET 28 Cb 0.91 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.53 1xfe h MET 28 CO 0.20 0.48 -0.25 0.00 -0.00 0.00 0.00 176.91 177.35 1xfe s ALA 29 N -2.93 4.50 0.26 -3.00 0.00 -1.26 -5.09 121.76 114.24 1xfe s ALA 29 Ca 0.02 -1.66 -0.29 0.00 0.00 0.00 0.00 51.96 50.03 1xfe s ALA 29 Cb 0.08 -1.65 -0.09 0.00 0.00 0.00 0.00 23.12 21.46 1xfe s ALA 29 CO 0.77 -0.31 0.96 0.50 0.00 0.00 0.00 175.76 177.68 1xfe s ARG 30 N -4.37 4.79 -0.03 0.00 3.52 -1.26 -4.96 118.95 116.64 1xfe s ARG 30 Ca 0.55 1.50 0.09 0.00 -0.13 0.00 0.00 55.73 57.74 1xfe s ARG 30 Cb -0.10 -3.19 -0.14 0.00 -1.56 0.00 0.00 34.95 29.96 1xfe s ARG 30 CO 0.33 0.45 0.17 -0.25 -0.81 0.00 0.00 175.30 175.19 1xfe n ASP 31 N 1.30 2.76 -3.54 -2.12 8.00 -1.26 -5.07 116.55 116.62 1xfe n ASP 31 Ca -0.01 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.39 1xfe n ASP 31 Cb 0.47 1.28 -0.03 0.00 -0.02 0.00 0.00 41.12 42.83 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 2.12 0.00 0.00 0.00 2.43 -2.03 -3.28 114.38 113.63 1xfe h ARG 33 Ca -0.27 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.80 1xfe h ARG 33 Cb 1.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1xfe h ARG 33 CO 0.35 0.90 -0.47 -0.44 -1.51 0.00 0.00 179.97 178.81 1xfe h ASP 34 N 0.00 0.00 -1.56 -3.80 3.32 -1.97 -3.47 116.42 108.93 1xfe h ASP 34 Ca -0.06 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.66 1xfe h ASP 34 Cb 1.81 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 41.29 1xfe h ASP 34 CO 0.12 0.47 -0.36 0.79 -1.72 0.00 0.00 179.24 178.54 1xfe n TRP 35 N -3.23 -0.40 0.18 4.55 7.02 -1.24 -4.87 117.44 119.45 1xfe n TRP 35 Ca 0.02 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.54 1xfe n TRP 35 Cb 0.71 -3.07 0.35 0.00 -2.42 0.00 0.00 31.31 26.88 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 0.90 -0.99 0.87 -1.91 -2.88 113.55 109.53 1xfe h SER 36 Ca -0.36 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.00 1xfe h SER 36 Cb 1.17 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 1xfe h SER 36 CO 0.47 0.40 -0.97 -0.78 -0.53 0.00 0.00 176.83 175.42 1xfe h ASP 37 N 0.00 0.05 -2.60 6.23 1.82 -1.90 -3.36 116.42 116.65 1xfe h ASP 37 Ca -0.00 -0.05 -0.74 0.00 -0.39 0.00 0.00 57.03 55.84 1xfe h ASP 37 Cb 0.81 -0.02 -0.32 0.00 0.68 0.00 0.00 39.33 40.48 1xfe h ASP 37 CO 0.05 0.99 0.37 -0.62 -1.61 0.00 0.00 179.24 178.42 1xfe n GLU 38 N -3.44 4.03 -2.29 0.28 4.71 -1.09 -3.41 120.64 119.43 1xfe n GLU 38 Ca -0.01 -4.62 -0.38 0.00 -0.01 0.00 0.00 57.16 52.14 1xfe n GLU 38 Cb 0.90 -2.42 -0.03 0.00 -1.01 0.00 0.00 31.44 28.87 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 -2.96 2.95 0.26 3.49 0.04 -1.25 -4.87 135.00 132.66 1xfe s PRO 39 Ca 0.35 -0.08 -0.02 0.00 0.04 0.00 0.00 61.00 61.30 1xfe s PRO 39 Cb 0.11 -4.57 0.53 0.00 0.04 0.00 0.00 34.50 30.60 1xfe s PRO 39 CO 0.03 -2.56 1.74 0.82 0.04 0.00 0.00 177.00 177.08 1xfe h ILE 40 N 6.64 0.68 0.00 0.56 2.04 -1.90 0.99 117.51 126.51 1xfe h ILE 40 Ca -0.14 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 1xfe h ILE 40 Cb 1.08 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1xfe h ILE 40 CO 1.27 0.10 -0.36 0.50 0.00 0.00 0.00 178.15 179.66 1xfe h LYS 41 N 0.53 0.00 -0.03 2.37 3.64 -1.94 -2.79 116.57 118.35 1xfe h LYS 41 Ca 0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1xfe h LYS 41 Cb 0.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1xfe h LYS 41 CO -0.39 0.36 -0.04 0.39 -2.27 0.00 0.00 179.45 177.50 1xfe n GLU 42 N -3.76 2.22 -3.19 1.90 -0.58 0.34 -4.57 120.64 113.00 1xfe n GLU 42 Ca -0.01 -1.83 -0.40 0.00 -0.42 0.00 0.00 57.16 54.50 1xfe n GLU 42 Cb 0.45 -1.46 -0.07 0.00 -0.57 0.00 0.00 31.44 29.78 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 4.38 0.57 3.56 0.00 0.00 -1.26 -4.91 105.19 107.53 1xfe n GLY 44 Ca -0.03 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.64 3.50 -1.45 2.61 2.01 -1.26 -4.88 115.64 114.53 1xfe s THR 45 Ca 0.00 0.35 -0.12 0.00 0.31 0.00 0.00 61.69 62.23 1xfe s THR 45 Cb 0.00 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1xfe s THR 45 CO 0.00 -1.05 2.57 -3.20 -0.69 0.00 0.00 174.62 172.25 1xfe n ASN 46 N 11.41 6.37 0.16 3.53 2.85 -1.26 -4.52 115.26 133.81 1xfe n ASN 46 Ca 0.16 -2.64 0.06 0.00 -0.11 0.00 0.00 54.58 52.05 1xfe n ASN 46 Cb 0.51 -1.52 0.07 0.00 1.24 0.00 0.00 39.78 40.08 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 5.64 0.00 0.00 1.20 5.08 -1.95 -3.23 114.58 121.32 1xfe h GLU 47 Ca 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.07 1xfe h GLU 47 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1xfe h GLU 47 CO 1.80 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 180.12 1xfe n LEU 49 N -1.07 0.18 0.00 0.00 4.77 -1.26 0.20 117.00 119.82 1xfe n LEU 49 Ca 0.00 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1xfe n LEU 49 Cb 0.00 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1xfe n LEU 49 CO 0.00 -0.56 0.50 -0.67 -1.33 0.00 0.00 177.39 175.33 1xfe n ASP 50 N -1.69 0.00 0.00 -1.43 2.03 -1.04 -4.68 116.55 109.74 1xfe n ASP 50 Ca -0.00 0.49 0.00 0.00 0.52 0.00 0.00 54.79 55.79 1xfe n ASP 50 Cb 0.13 -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 -1.49 0.00 0.09 1.67 6.94 -0.93 -5.00 115.26 116.55 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 0.48 0.00 0.53 -1.07 -1.83 -3.43 115.58 110.26 1xfe h ASN 52 Ca 0.00 -0.58 -0.01 0.00 0.07 0.00 0.00 56.30 55.78 1xfe h ASN 52 Cb 0.00 -0.16 -0.01 0.00 -2.07 0.00 0.00 38.32 36.08 1xfe h ASN 52 CO 0.00 1.46 -0.03 0.61 0.07 0.00 0.00 177.43 179.55 1xfe n GLY 53 N 1.63 -0.13 3.55 9.14 0.00 -1.26 -4.77 105.19 113.35 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 1.25 0.98 -0.02 0.00 0.55 -0.70 105.19 107.25 1xfe n GLY 54 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.02 -1.72 0.00 0.00 7.64 -1.06 -4.32 113.62 112.14 1xfe n SER 56 Ca 0.00 0.52 -0.00 0.00 1.01 0.00 0.00 58.87 60.40 1xfe n SER 56 Cb 0.01 1.82 -0.00 0.00 -1.01 0.00 0.00 64.21 65.04 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 -2.97 0.00 -3.73 1.43 8.25 -1.26 -4.06 115.22 112.89 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 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 30.93 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 -1.12 0.43 -0.09 1.59 -7.23 -1.18 -4.42 120.40 108.39 1xfe s VAL 58 Ca -0.01 -0.38 -0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1xfe s VAL 58 Cb 0.00 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 36.03 1xfe s VAL 58 CO 0.01 -0.12 -0.06 0.00 -0.31 0.00 0.00 175.10 174.62 1xfe s ASN 60 N -0.59 5.72 -0.42 0.00 -0.87 0.11 -4.65 114.94 114.25 1xfe s ASN 60 Ca 0.09 -0.81 -0.20 0.00 -1.57 0.00 0.00 52.86 50.38 1xfe s ASN 60 Cb -0.12 -2.03 0.02 0.00 -0.02 0.00 0.00 41.25 39.10 1xfe s ASN 60 CO 0.02 -0.32 0.58 -1.81 -2.57 0.00 0.00 177.10 172.99 1xfe s ASP 61 N 1.59 6.30 0.31 -1.22 1.01 -1.26 -0.00 116.67 123.40 1xfe s ASP 61 Ca 0.03 -0.35 0.01 0.00 0.71 0.00 0.00 52.55 52.95 1xfe s ASP 61 Cb -0.18 -2.29 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 1xfe s ASP 61 CO 0.07 -0.68 0.50 -0.76 0.21 0.00 0.00 175.17 174.51 1xfe s LEU 62 N 2.60 4.09 0.50 1.23 1.43 -0.71 -4.89 118.68 122.93 1xfe s LEU 62 Ca 0.20 0.38 0.26 0.00 -1.03 0.00 0.00 54.13 53.94 1xfe s LEU 62 Cb -0.15 -3.22 1.30 0.00 0.03 0.00 0.00 46.19 44.15 1xfe s LEU 62 CO 0.17 -0.23 2.01 0.11 0.23 0.00 0.00 176.35 178.64 1xfe h LYS 63 N 0.96 0.00 -0.22 1.70 1.57 -1.95 -2.73 116.57 115.91 1xfe h LYS 63 Ca -0.50 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.18 1xfe h LYS 63 Cb 1.22 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.47 1xfe h LYS 63 CO 0.62 0.16 -0.20 1.51 -0.57 0.00 0.00 179.45 180.97 1xfe n ILE 64 N -3.62 2.39 0.00 1.86 0.13 -1.25 -2.67 119.36 116.20 1xfe n ILE 64 Ca -0.01 -2.82 0.00 0.00 -1.10 0.00 0.00 62.75 58.82 1xfe n ILE 64 Cb 0.28 -0.29 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 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 -1.10 4.52 3.83 4.50 0.00 -1.03 -5.09 105.19 110.82 1xfe n GLY 65 Ca 0.27 -1.10 -0.28 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 -0.89 3.26 0.23 1.61 -0.85 -1.26 -1.73 117.35 117.71 1xfe s TYR 66 Ca 0.00 0.06 0.00 0.00 -0.52 0.00 0.00 57.07 56.61 1xfe s TYR 66 Cb 0.00 -1.59 -0.05 0.00 0.38 0.00 0.00 41.96 40.70 1xfe s TYR 66 CO 0.00 0.53 0.11 -1.83 -1.52 0.00 0.00 175.55 172.83 1xfe s GLU 67 N -2.89 1.32 -0.03 -3.49 1.03 1.00 -4.90 118.70 110.74 1xfe s GLU 67 Ca 0.32 -1.71 -0.00 0.00 0.03 0.00 0.00 54.97 53.61 1xfe s GLU 67 Cb -0.11 -0.06 -0.04 0.00 -0.80 0.00 0.00 34.13 33.12 1xfe s GLU 67 CO 0.24 -0.33 0.04 0.00 -1.33 0.00 0.00 175.26 173.89 1xfe s LEU 69 N -1.47 2.37 0.06 0.00 1.43 0.44 -4.82 118.68 116.69 1xfe s LEU 69 Ca 0.19 -0.79 -0.14 0.00 -1.03 0.00 0.00 54.13 52.37 1xfe s LEU 69 Cb -0.12 -0.96 0.02 0.00 0.03 0.00 0.00 46.19 45.17 1xfe s LEU 69 CO 0.10 0.05 0.32 0.00 0.23 0.00 0.00 176.35 177.05 1xfe n PRO 71 N 0.43 -0.26 -1.66 0.00 -0.04 -1.26 -4.84 135.00 127.38 1xfe n PRO 71 Ca -0.18 -0.03 -0.38 0.00 -0.04 0.00 0.00 63.50 62.87 1xfe n PRO 71 Cb 0.60 -1.93 0.06 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.67 1.31 0.00 3.54 8.00 -1.26 -2.23 116.55 124.25 1xfe n ASP 72 Ca 0.08 0.83 0.00 0.00 0.71 0.00 0.00 54.79 56.41 1xfe n ASP 72 Cb 0.53 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 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 1.14 0.44 3.59 0.44 0.00 -1.26 -4.99 105.19 104.54 1xfe n GLY 73 Ca 0.14 0.00 -0.33 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 -2.16 2.89 -0.23 1.61 0.40 -0.95 -5.09 117.98 114.46 1xfe s PHE 74 Ca 0.00 -0.03 -0.04 0.00 -0.60 0.00 0.00 56.93 56.27 1xfe s PHE 74 Cb 0.00 -1.63 -0.00 0.00 0.51 0.00 0.00 43.02 41.90 1xfe s PHE 74 CO 0.00 0.36 -0.04 -0.65 0.70 0.00 0.00 175.22 175.58 1xfe s GLN 75 N -1.26 3.30 -0.35 0.44 -0.21 -1.23 -4.85 119.66 115.50 1xfe s GLN 75 Ca 0.16 -0.68 -0.28 0.00 0.02 0.00 0.00 55.36 54.58 1xfe s GLN 75 Cb -0.11 -3.01 -0.02 0.00 1.00 0.00 0.00 33.01 30.87 1xfe s GLN 75 CO 0.06 -0.23 1.81 -1.17 -2.12 0.00 0.00 175.29 173.64 1xfe s LEU 76 N 1.46 3.49 0.07 2.90 2.96 -1.25 -1.53 118.68 126.78 1xfe s LEU 76 Ca 0.05 1.25 -0.16 0.00 -0.22 0.00 0.00 54.13 55.05 1xfe s LEU 76 Cb -0.15 -3.45 -0.06 0.00 0.50 0.00 0.00 46.19 43.03 1xfe s LEU 76 CO -0.04 -1.75 0.51 -0.69 -1.32 0.00 0.00 176.35 173.06 1xfe s VAL 77 N 7.05 4.87 -0.56 1.68 1.01 1.25 -4.02 120.40 131.68 1xfe s VAL 77 Ca 0.79 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1xfe s VAL 77 Cb -0.22 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1xfe s VAL 77 CO 0.33 0.47 0.00 0.00 0.00 0.00 0.00 175.10 175.90 1xfe n ALA 78 N 1.47 -0.08 -1.24 5.51 0.00 -1.26 0.14 120.51 125.04 1xfe n ALA 78 Ca -0.10 0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 1xfe n ALA 78 Cb 0.52 -0.89 -0.04 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 -2.62 -1.20 0.00 0.00 1.13 -1.26 -4.53 117.38 108.90 1xfe n GLN 79 Ca -0.05 0.73 0.00 0.00 -1.94 0.00 0.00 57.00 55.73 1xfe n GLN 79 Cb 0.20 -4.82 0.00 0.00 0.11 0.00 0.00 30.24 25.73 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 -1.51 0.00 -2.79 -1.09 1.74 -1.15 -4.78 116.66 107.09 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 0.43 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.83 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 -0.51 4.04 -0.50 5.56 3.00 0.36 -2.57 118.95 128.34 1xfe s ARG 81 Ca 0.00 0.88 -0.28 0.00 -1.00 0.00 0.00 55.73 55.33 1xfe s ARG 81 Cb 0.00 -3.72 0.02 0.00 0.00 0.00 0.00 34.95 31.25 1xfe s ARG 81 CO 0.00 -0.76 1.32 0.00 0.00 0.00 0.00 175.30 175.86