#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 5.99 -0.27 1.61 2.20 -1.26 -5.08 114.94 118.14 1xfe s ASN 2 Ca 0.00 0.14 -0.14 0.00 -0.94 0.00 0.00 52.86 51.92 1xfe s ASN 2 Cb 0.00 -2.06 -0.04 0.00 -2.00 0.00 0.00 41.25 37.16 1xfe s ASN 2 CO 0.00 0.14 0.35 0.68 -2.94 0.00 0.00 177.10 175.33 1xfe s VAL 3 N 0.59 5.19 -0.61 3.54 -7.23 -1.26 -5.04 120.40 115.59 1xfe s VAL 3 Ca 0.06 0.53 -0.23 0.00 -1.81 0.00 0.00 61.98 60.54 1xfe s VAL 3 Cb -0.12 -3.68 0.06 0.00 0.56 0.00 0.00 36.38 33.20 1xfe s VAL 3 CO 0.01 0.17 0.94 0.28 -0.31 0.00 0.00 175.10 176.19 1xfe s THR 4 N 2.00 4.37 0.00 5.32 -1.32 -1.26 -4.94 115.64 119.80 1xfe s THR 4 Ca 0.14 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1xfe s THR 4 Cb -0.16 -4.61 0.00 0.00 -1.51 0.00 0.00 72.50 66.22 1xfe s THR 4 CO 0.10 -1.31 0.44 0.18 -2.21 0.00 0.00 174.62 171.82 1xfe n LEU 5 N 7.56 0.68 -3.12 9.08 7.99 -1.26 -4.91 117.00 133.01 1xfe n LEU 5 Ca -0.02 0.51 -0.23 0.00 -0.01 0.00 0.00 56.01 56.26 1xfe n LEU 5 Cb 0.46 -0.19 0.04 0.00 -0.11 0.00 0.00 43.42 43.62 1xfe n LEU 5 CO 0.63 -0.19 0.02 0.00 -1.51 0.00 0.00 177.39 176.35 1xfe s GLU 7 N -5.81 0.61 0.00 0.00 0.41 -1.26 -5.02 118.70 107.63 1xfe s GLU 7 Ca 0.35 -1.07 0.00 0.00 -0.41 0.00 0.00 54.97 53.84 1xfe s GLU 7 Cb -0.16 -0.02 0.00 0.00 -1.78 0.00 0.00 34.13 32.18 1xfe s GLU 7 CO 0.43 -0.04 0.00 0.41 -0.49 0.00 0.00 175.26 175.56 1xfe n GLY 8 N 0.56 1.36 3.81 -1.39 0.00 -1.26 -4.94 105.19 103.32 1xfe n GLY 8 Ca -0.17 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.38 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 -1.49 2.72 -1.66 1.61 0.04 -1.26 -3.88 135.00 131.07 1xfe s PRO 9 Ca 0.00 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 61.91 1xfe s PRO 9 Cb 0.00 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 32.69 1xfe s PRO 9 CO 0.00 -1.27 0.48 0.27 0.04 0.00 0.00 177.00 176.53 1xfe n ASN 10 N -3.25 -1.35 -4.93 6.66 0.23 -1.26 -4.93 115.26 106.43 1xfe n ASN 10 Ca 0.08 -1.13 -0.27 0.00 -0.53 0.00 0.00 54.58 52.73 1xfe n ASN 10 Cb 0.54 -2.24 -0.03 0.00 -2.08 0.00 0.00 39.78 35.96 1xfe n ASN 10 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1xfe s LYS 11 N -7.05 3.51 0.00 -3.83 0.00 -1.25 -2.83 119.74 108.29 1xfe s LYS 11 Ca 0.45 -0.37 0.01 0.00 0.00 0.00 0.00 55.97 56.05 1xfe s LYS 11 Cb -0.25 -2.83 -0.00 0.00 0.00 0.00 0.00 37.83 34.75 1xfe s LYS 11 CO 0.96 0.38 -0.02 0.12 0.00 0.00 0.00 175.35 176.79 1xfe s PHE 12 N -1.92 0.18 -0.17 1.78 2.19 0.34 -4.47 117.98 115.92 1xfe s PHE 12 Ca 0.38 -0.08 -0.01 0.00 0.33 0.00 0.00 56.93 57.56 1xfe s PHE 12 Cb -0.11 -0.12 0.04 0.00 -1.31 0.00 0.00 43.02 41.53 1xfe s PHE 12 CO 0.30 -0.02 -0.05 -1.59 1.83 0.00 0.00 175.22 175.69 1xfe s LYS 13 N -0.19 1.38 0.00 10.12 0.00 -1.25 -0.60 119.74 129.20 1xfe s LYS 13 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 55.97 55.44 1xfe s LYS 13 Cb -0.02 -2.02 0.00 0.00 0.00 0.00 0.00 37.83 35.79 1xfe s LYS 13 CO -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 175.35 174.90 1xfe h HIS 15 N -1.42 0.04 -0.00 0.00 3.86 -1.91 -3.22 115.15 112.50 1xfe h HIS 15 Ca 0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1xfe h HIS 15 Cb 0.00 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xfe h HIS 15 CO 0.00 1.03 -0.11 0.43 0.86 0.00 0.00 177.93 180.14 1xfe n SER 16 N -3.33 0.25 0.00 2.45 7.64 -1.26 -4.90 113.62 114.47 1xfe n SER 16 Ca -0.03 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1xfe n SER 16 Cb 0.96 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 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 1.37 1.69 3.64 0.23 0.00 -1.22 -5.07 105.19 105.83 1xfe n GLY 17 Ca 0.11 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.45 4.14 -0.29 1.61 0.41 -1.26 -4.83 118.70 117.03 1xfe s GLU 18 Ca 0.00 0.62 -0.19 0.00 -0.41 0.00 0.00 54.97 54.99 1xfe s GLU 18 Cb 0.00 -3.63 -0.02 0.00 -1.78 0.00 0.00 34.13 28.70 1xfe s GLU 18 CO 0.00 -0.39 0.57 0.00 -0.49 0.00 0.00 175.26 174.95 1xfe s ILE 20 N 2.46 0.00 0.25 0.00 -4.36 0.23 -4.94 121.20 114.85 1xfe s ILE 20 Ca 0.23 -1.58 -0.24 0.00 -0.26 0.00 0.00 60.65 58.80 1xfe s ILE 20 Cb -0.15 -2.56 -0.09 0.00 1.25 0.00 0.00 42.46 40.91 1xfe s ILE 20 CO 0.11 0.00 0.84 0.42 0.24 0.00 0.00 174.94 176.55 1xfe s THR 21 N -3.27 4.34 0.32 8.37 -4.23 -1.26 0.13 115.64 120.04 1xfe s THR 21 Ca 0.29 1.65 0.22 0.00 -1.18 0.00 0.00 61.69 62.68 1xfe s THR 21 Cb -0.00 -4.02 0.22 0.00 1.34 0.00 0.00 72.50 70.04 1xfe s THR 21 CO 0.18 0.27 1.93 0.17 -0.54 0.00 0.00 174.62 176.62 1xfe h LEU 22 N 3.56 0.00 -0.06 4.79 8.10 -1.74 -3.31 115.31 126.64 1xfe h LEU 22 Ca -0.47 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.54 1xfe h LEU 22 Cb 1.20 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.38 1xfe h LEU 22 CO 0.66 0.23 -0.31 0.44 -4.11 0.00 0.00 178.44 175.34 1xfe h ASP 23 N 0.00 -0.98 0.00 0.17 5.19 -1.93 0.77 116.42 119.64 1xfe h ASP 23 Ca -0.00 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1xfe h ASP 23 Cb 0.55 0.38 0.00 0.00 0.18 0.00 0.00 39.33 40.44 1xfe h ASP 23 CO 0.03 -0.28 0.00 2.29 -3.12 0.00 0.00 179.24 178.16 1xfe n LYS 24 N -4.20 0.22 -1.74 3.56 -0.00 -1.25 -4.80 118.16 109.95 1xfe n LYS 24 Ca -0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.86 1xfe n LYS 24 Cb 0.22 -1.06 -0.02 0.00 -0.00 0.00 0.00 35.03 34.17 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 0.85 -3.51 0.58 0.31 0.26 -2.29 118.33 114.52 1xfe n VAL 25 Ca 0.00 -0.21 -0.22 0.00 -0.01 0.00 0.00 64.34 63.90 1xfe n VAL 25 Cb 0.03 -1.97 0.07 0.00 -0.91 0.00 0.00 33.84 31.07 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 -2.70 -1.98 0.17 0.00 6.94 -0.97 -4.95 115.26 111.77 1xfe n ASN 27 Ca -0.00 -0.92 0.08 0.00 -0.02 0.00 0.00 54.58 53.72 1xfe n ASN 27 Cb 0.56 -0.69 0.08 0.00 -2.36 0.00 0.00 39.78 37.37 1xfe n ASN 27 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 1xfe h MET 28 N 0.00 0.00 -5.93 -3.83 2.86 -1.94 -3.46 114.93 102.63 1xfe h MET 28 Ca -0.28 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.80 1xfe h MET 28 Cb 0.87 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.46 1xfe h MET 28 CO 0.18 0.17 -0.48 0.00 1.06 0.00 0.00 176.91 177.84 1xfe s ALA 29 N -3.14 3.66 0.29 6.32 0.00 -1.26 -5.10 121.76 122.53 1xfe s ALA 29 Ca 0.04 -2.07 -0.29 0.00 0.00 0.00 0.00 51.96 49.64 1xfe s ALA 29 Cb 0.07 -0.46 -0.10 0.00 0.00 0.00 0.00 23.12 22.63 1xfe s ALA 29 CO 0.72 -0.18 1.40 0.50 0.00 0.00 0.00 175.76 178.20 1xfe s ARG 30 N -3.94 4.28 0.00 0.00 3.52 -1.26 -4.92 118.95 116.63 1xfe s ARG 30 Ca 0.42 2.30 0.00 0.00 -0.13 0.00 0.00 55.73 58.32 1xfe s ARG 30 Cb 0.03 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.34 1xfe s ARG 30 CO 0.23 -0.36 0.00 -0.25 -0.81 0.00 0.00 175.30 174.11 1xfe n ASP 31 N 1.64 4.35 -3.62 -2.12 8.00 -1.26 -5.09 116.55 118.45 1xfe n ASP 31 Ca 0.04 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.36 1xfe n ASP 31 Cb 0.41 0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.87 1xfe n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xfe n ARG 33 N -0.98 0.67 -0.16 0.00 1.74 -1.26 -4.32 116.66 112.35 1xfe n ARG 33 Ca -0.07 0.11 0.06 0.00 -0.77 0.00 0.00 57.85 57.18 1xfe n ARG 33 Cb 0.37 -1.63 0.15 0.00 -1.02 0.00 0.00 32.46 30.33 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 -2.86 2.84 -2.07 0.55 8.00 -1.26 -4.96 116.55 116.78 1xfe n ASP 34 Ca -0.26 -1.92 -0.21 0.00 0.71 0.00 0.00 54.79 53.11 1xfe n ASP 34 Cb 1.11 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.96 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 0.60 -0.63 0.21 1.24 7.02 -1.26 -4.85 117.44 119.77 1xfe n TRP 35 Ca 0.12 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.67 1xfe n TRP 35 Cb 0.42 -3.75 0.47 0.00 -2.42 0.00 0.00 31.31 26.03 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 1.16 -0.99 4.64 -1.92 -2.66 113.55 113.77 1xfe h SER 36 Ca -0.46 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 1xfe h SER 36 Cb 1.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 1xfe h SER 36 CO 0.59 0.28 -0.88 -0.78 -0.87 0.00 0.00 176.83 175.17 1xfe h ASP 37 N 0.00 0.00 -2.63 4.97 1.82 -1.93 -3.39 116.42 115.26 1xfe h ASP 37 Ca -0.00 0.00 -0.74 0.00 -0.39 0.00 0.00 57.03 55.90 1xfe h ASP 37 Cb 0.63 0.00 -0.32 0.00 0.68 0.00 0.00 39.33 40.32 1xfe h ASP 37 CO 0.04 0.31 0.36 -0.62 -1.61 0.00 0.00 179.24 177.72 1xfe n GLU 38 N -2.94 3.97 -2.39 0.28 -0.58 -1.00 -3.35 120.64 114.63 1xfe n GLU 38 Ca -0.02 -4.61 -0.39 0.00 -0.42 0.00 0.00 57.16 51.72 1xfe n GLU 38 Cb 0.69 -2.43 -0.03 0.00 -0.57 0.00 0.00 31.44 29.10 1xfe n GLU 38 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1xfe s PRO 39 N -2.87 3.10 0.26 3.49 0.04 -1.25 -4.87 135.00 132.90 1xfe s PRO 39 Ca 0.35 -0.31 -0.02 0.00 0.04 0.00 0.00 61.00 61.05 1xfe s PRO 39 Cb 0.10 -4.65 0.51 0.00 0.04 0.00 0.00 34.50 30.50 1xfe s PRO 39 CO 0.05 -2.44 1.75 0.82 0.04 0.00 0.00 177.00 177.21 1xfe h ILE 40 N 6.57 0.69 -0.07 0.56 2.04 -1.90 0.96 117.51 126.36 1xfe h ILE 40 Ca -0.10 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 1xfe h ILE 40 Cb 1.06 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1xfe h ILE 40 CO 1.30 0.10 -0.29 0.50 0.00 0.00 0.00 178.15 179.76 1xfe h LYS 41 N 0.54 0.13 -0.03 2.37 3.64 -1.94 -2.78 116.57 118.50 1xfe h LYS 41 Ca 0.45 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1xfe h LYS 41 Cb 0.66 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1xfe h LYS 41 CO -0.38 0.41 -0.08 0.39 -2.27 0.00 0.00 179.45 177.52 1xfe n GLU 42 N -4.16 2.10 -3.15 1.90 4.71 -0.00 -4.59 120.64 117.46 1xfe n GLU 42 Ca -0.01 -1.76 -0.40 0.00 -0.01 0.00 0.00 57.16 54.98 1xfe n GLU 42 Cb 0.37 -1.45 -0.07 0.00 -1.01 0.00 0.00 31.44 29.28 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 4.13 0.43 3.56 0.00 0.00 -1.26 -4.92 105.19 107.13 1xfe n GLY 44 Ca -0.02 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.59 3.74 -1.11 2.61 2.01 -1.25 -4.91 115.64 115.14 1xfe s THR 45 Ca 0.00 0.53 -0.18 0.00 0.31 0.00 0.00 61.69 62.34 1xfe s THR 45 Cb 0.00 -4.67 -0.06 0.00 0.01 0.00 0.00 72.50 67.78 1xfe s THR 45 CO 0.00 -1.51 2.05 -3.20 -0.69 0.00 0.00 174.62 171.27 1xfe n ASN 46 N 9.64 3.23 0.05 3.53 2.85 -1.26 -4.56 115.26 128.74 1xfe n ASN 46 Ca 0.08 -2.76 -0.05 0.00 -0.11 0.00 0.00 54.58 51.74 1xfe n ASN 46 Cb 0.49 -1.40 -0.10 0.00 1.24 0.00 0.00 39.78 40.01 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 7.12 0.00 0.00 1.20 5.08 -1.96 -3.23 114.58 122.79 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 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1xfe h GLU 47 CO 1.88 0.76 0.00 0.00 -1.00 0.00 0.00 179.01 180.66 1xfe n LEU 49 N -1.24 0.13 0.00 0.00 4.77 -1.26 0.20 117.00 119.60 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 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1xfe n LEU 49 CO 0.00 -0.52 0.49 -0.67 -1.33 0.00 0.00 177.39 175.36 1xfe n ASP 50 N -1.62 0.00 0.00 -1.43 2.03 -0.97 -4.68 116.55 109.88 1xfe n ASP 50 Ca -0.00 0.47 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1xfe n ASP 50 Cb 0.13 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 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 -1.47 0.00 0.09 1.67 6.94 -0.91 -5.00 115.26 116.59 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 0.01 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 -1.83 -3.43 115.58 110.21 1xfe h ASN 52 Ca 0.00 -0.51 -0.01 0.00 0.07 0.00 0.00 56.30 55.85 1xfe h ASN 52 Cb 0.00 -0.14 -0.01 0.00 -2.07 0.00 0.00 38.32 36.10 1xfe h ASN 52 CO 0.00 1.41 -0.02 0.61 0.07 0.00 0.00 177.43 179.50 1xfe n GLY 53 N 1.59 -0.19 3.74 9.14 0.00 -1.25 -4.75 105.19 113.46 1xfe n GLY 53 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 1.15 0.99 -0.02 0.00 0.52 -0.80 105.19 107.03 1xfe n GLY 54 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.60 -0.00 0.00 7.64 -1.03 -4.33 113.62 111.28 1xfe n SER 56 Ca 0.00 0.77 -0.00 0.00 1.01 0.00 0.00 58.87 60.64 1xfe n SER 56 Cb 0.01 2.61 -0.00 0.00 -1.01 0.00 0.00 64.21 65.82 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 -3.29 0.00 -3.71 1.43 8.25 -1.26 -3.96 115.22 112.68 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 30.91 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 -1.16 0.32 -0.12 1.59 -7.23 -1.25 -4.42 120.40 108.13 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 -0.76 -0.03 0.00 0.56 0.00 0.00 36.38 36.15 1xfe s VAL 58 CO 0.02 -0.09 -0.07 0.00 -0.31 0.00 0.00 175.10 174.66 1xfe s ASN 60 N -0.06 6.29 -0.34 0.00 2.47 0.33 -4.62 114.94 119.00 1xfe s ASN 60 Ca 0.00 -0.40 -0.21 0.00 0.42 0.00 0.00 52.86 52.68 1xfe s ASN 60 Cb -0.13 -2.29 -0.00 0.00 -1.45 0.00 0.00 41.25 37.37 1xfe s ASN 60 CO 0.03 -0.71 0.65 -0.62 -3.72 0.00 0.00 177.10 172.73 1xfe s ASP 61 N 1.94 6.46 0.14 -4.21 -1.08 -1.26 0.83 116.67 119.48 1xfe s ASP 61 Ca 0.20 0.25 0.03 0.00 -0.52 0.00 0.00 52.55 52.51 1xfe s ASP 61 Cb -0.15 -2.33 -0.04 0.00 -1.46 0.00 0.00 42.92 38.94 1xfe s ASP 61 CO 0.17 -0.57 0.21 -0.76 0.52 0.00 0.00 175.17 174.74 1xfe s LEU 62 N 2.72 4.12 0.66 -1.34 1.43 -0.71 -4.91 118.68 120.65 1xfe s LEU 62 Ca 0.25 0.07 0.44 0.00 -1.03 0.00 0.00 54.13 53.86 1xfe s LEU 62 Cb -0.14 -2.72 2.39 0.00 0.03 0.00 0.00 46.19 45.75 1xfe s LEU 62 CO 0.14 0.08 2.36 0.11 0.23 0.00 0.00 176.35 179.27 1xfe h LYS 63 N 2.40 0.00 -0.06 1.70 6.56 -1.95 -1.29 116.57 123.94 1xfe h LYS 63 Ca -0.48 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.09 1xfe h LYS 63 Cb 1.19 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.84 1xfe h LYS 63 CO 0.67 0.00 -0.22 1.51 -2.06 0.00 0.00 179.45 179.35 1xfe n ILE 64 N -3.12 2.13 0.00 1.86 3.06 -1.24 -2.17 119.36 119.87 1xfe n ILE 64 Ca -0.03 -2.71 0.00 0.00 -2.50 0.00 0.00 62.75 57.51 1xfe n ILE 64 Cb 0.08 -0.25 0.00 0.00 0.54 0.00 0.00 39.64 40.01 1xfe n ILE 64 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1xfe n GLY 65 N -1.20 4.34 3.87 4.50 0.00 -0.48 -5.09 105.19 111.13 1xfe n GLY 65 Ca 0.20 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.50 3.58 0.26 1.61 -0.85 -1.26 -1.75 117.35 118.44 1xfe s TYR 66 Ca 0.00 0.71 0.06 0.00 -0.52 0.00 0.00 57.07 57.32 1xfe s TYR 66 Cb 0.00 -2.10 -0.05 0.00 0.38 0.00 0.00 41.96 40.19 1xfe s TYR 66 CO 0.00 0.55 -0.07 -1.83 -1.52 0.00 0.00 175.55 172.68 1xfe s GLU 67 N -1.89 1.48 -0.11 -3.49 1.03 0.24 -4.90 118.70 111.06 1xfe s GLU 67 Ca 0.32 -1.73 -0.10 0.00 0.03 0.00 0.00 54.97 53.48 1xfe s GLU 67 Cb -0.14 -1.08 -0.05 0.00 -0.80 0.00 0.00 34.13 32.07 1xfe s GLU 67 CO 0.18 0.05 0.21 0.00 -1.33 0.00 0.00 175.26 174.37 1xfe s LEU 69 N -0.63 2.27 -0.29 0.00 1.43 0.41 -4.81 118.68 117.05 1xfe s LEU 69 Ca 0.16 -1.66 -0.26 0.00 -1.03 0.00 0.00 54.13 51.34 1xfe s LEU 69 Cb -0.13 -0.74 0.19 0.00 0.03 0.00 0.00 46.19 45.54 1xfe s LEU 69 CO 0.05 -0.89 1.40 0.00 0.23 0.00 0.00 176.35 177.14 1xfe n PRO 71 N 1.25 -1.15 -1.76 0.00 -0.02 -1.26 -4.81 135.00 127.25 1xfe n PRO 71 Ca -0.07 -0.33 -0.36 0.00 -2.02 0.00 0.00 63.50 60.72 1xfe n PRO 71 Cb 0.57 -1.44 0.06 0.00 -0.02 0.00 0.00 33.50 32.68 1xfe n PRO 71 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xfe s ASP 72 N -1.57 4.68 -1.17 2.55 2.15 -1.26 -3.13 116.67 118.92 1xfe s ASP 72 Ca 0.47 2.52 0.00 0.00 0.43 0.00 0.00 52.55 55.96 1xfe s ASP 72 Cb -0.04 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1xfe s ASP 72 CO 0.61 -1.95 0.00 0.61 -0.17 0.00 0.00 175.17 174.28 1xfe n GLY 73 N 0.71 0.61 3.11 2.66 0.00 -1.26 -5.01 105.19 106.00 1xfe n GLY 73 Ca 0.15 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.53 1.42 -0.26 1.61 0.08 -1.18 -5.09 117.98 112.03 1xfe s PHE 74 Ca 0.00 -0.34 -0.04 0.00 0.12 0.00 0.00 56.93 56.67 1xfe s PHE 74 Cb 0.00 -0.95 0.01 0.00 -0.57 0.00 0.00 43.02 41.51 1xfe s PHE 74 CO 0.00 -0.09 0.00 -1.14 -0.10 0.00 0.00 175.22 173.90 1xfe s GLN 75 N -0.12 3.11 -0.24 0.44 0.74 0.09 -4.92 119.66 118.77 1xfe s GLN 75 Ca 0.01 -0.82 -0.29 0.00 0.05 0.00 0.00 55.36 54.31 1xfe s GLN 75 Cb -0.08 -3.16 -0.03 0.00 1.10 0.00 0.00 33.01 30.84 1xfe s GLN 75 CO 0.01 -0.35 1.72 -1.17 -0.55 0.00 0.00 175.29 174.94 1xfe s LEU 76 N 1.45 3.79 -0.04 3.68 2.96 -1.25 0.12 118.68 129.38 1xfe s LEU 76 Ca 0.03 1.61 -0.08 0.00 -0.22 0.00 0.00 54.13 55.46 1xfe s LEU 76 Cb -0.16 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 1xfe s LEU 76 CO -0.01 -1.41 0.25 -0.69 -1.32 0.00 0.00 176.35 173.17 1xfe s VAL 77 N 5.80 5.32 -0.49 1.68 1.01 0.63 -4.25 120.40 130.10 1xfe s VAL 77 Ca 0.76 0.33 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1xfe s VAL 77 Cb -0.26 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1xfe s VAL 77 CO 0.32 0.50 0.00 0.00 0.00 0.00 0.00 175.10 175.92 1xfe n ALA 78 N 1.58 -0.07 -1.29 5.51 0.00 -1.26 0.14 120.51 125.12 1xfe n ALA 78 Ca -0.15 0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 1xfe n ALA 78 Cb 0.53 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.75 -1.32 0.00 0.00 6.02 -1.26 -4.48 117.38 113.59 1xfe n GLN 79 Ca -0.05 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 1xfe n GLN 79 Cb 0.17 -5.00 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 -1.46 0.00 -2.24 -1.09 1.74 -1.18 -4.78 116.66 107.66 1xfe n ARG 80 Ca -0.10 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.68 1xfe n ARG 80 Cb 0.48 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.92 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 -0.81 3.63 -0.38 5.56 6.06 0.38 -2.47 118.95 130.92 1xfe s ARG 81 Ca 0.00 0.58 -0.04 0.00 -2.50 0.00 0.00 55.73 53.77 1xfe s ARG 81 Cb 0.00 -2.20 0.08 0.00 0.06 0.00 0.00 34.95 32.89 1xfe s ARG 81 CO 0.00 -0.39 0.15 0.00 -2.50 0.00 0.00 175.30 172.57