#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 7.32 0.15 1.61 0.01 -1.26 -5.06 114.94 117.71 1xfe s ASN 2 Ca 0.00 2.12 0.11 0.00 -0.71 0.00 0.00 52.86 54.38 1xfe s ASN 2 Cb 0.00 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1xfe s ASN 2 CO 0.00 -0.09 -0.25 0.68 -1.51 0.00 0.00 177.10 175.93 1xfe s VAL 3 N -1.26 2.38 -0.04 1.60 -7.23 -1.26 -5.14 120.40 109.45 1xfe s VAL 3 Ca 0.45 -1.80 0.07 0.00 -1.81 0.00 0.00 61.98 58.89 1xfe s VAL 3 Cb -0.28 -2.09 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 1xfe s VAL 3 CO 0.36 0.03 -0.24 0.42 -0.31 0.00 0.00 175.10 175.35 1xfe s THR 4 N -1.25 1.97 0.00 5.32 -4.23 -1.26 -5.07 115.64 111.11 1xfe s THR 4 Ca 0.17 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 1xfe s THR 4 Cb -0.09 -1.65 0.00 0.00 1.34 0.00 0.00 72.50 72.09 1xfe s THR 4 CO 0.08 0.55 0.00 0.18 -0.54 0.00 0.00 174.62 174.89 1xfe n LEU 5 N 2.78 1.45 0.00 4.79 4.77 -1.26 -4.92 117.00 124.61 1xfe n LEU 5 Ca -0.17 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1xfe n LEU 5 Cb 0.52 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1xfe n LEU 5 CO 0.24 -0.25 -0.38 0.00 -1.33 0.00 0.00 177.39 175.68 1xfe s GLU 7 N -1.79 3.15 0.00 0.00 8.01 -1.26 -4.29 118.70 122.51 1xfe s GLU 7 Ca 0.00 1.67 0.00 0.00 0.01 0.00 0.00 54.97 56.65 1xfe s GLU 7 Cb 0.00 -1.97 0.00 0.00 -4.31 0.00 0.00 34.13 27.85 1xfe s GLU 7 CO 0.00 -1.02 0.00 0.41 0.01 0.00 0.00 175.26 174.66 1xfe n GLY 8 N 0.23 -0.48 0.00 -1.39 0.00 -1.26 -4.85 105.19 97.43 1xfe n GLY 8 Ca 0.12 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.60 1xfe n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xfe n PRO 9 N -0.71 0.07 -0.25 1.61 -0.04 -1.26 -2.58 135.00 131.84 1xfe n PRO 9 Ca 0.00 0.19 0.09 0.00 -0.04 0.00 0.00 63.50 63.74 1xfe n PRO 9 Cb 0.00 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.12 1xfe n PRO 9 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1xfe n ASN 10 N -1.43 2.11 -4.89 3.54 6.94 -1.26 -4.96 115.26 115.30 1xfe n ASN 10 Ca 0.05 -3.33 -0.29 0.00 -0.02 0.00 0.00 54.58 50.99 1xfe n ASN 10 Cb 0.17 -0.46 -0.02 0.00 -2.36 0.00 0.00 39.78 37.11 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 -2.94 3.69 -0.23 -3.83 2.36 -1.06 -2.82 119.74 114.90 1xfe s LYS 11 Ca 0.34 0.34 -0.25 0.00 -2.55 0.00 0.00 55.97 53.85 1xfe s LYS 11 Cb 0.31 -2.41 0.07 0.00 -1.05 0.00 0.00 37.83 34.75 1xfe s LYS 11 CO -0.00 -0.07 0.69 0.12 1.55 0.00 0.00 175.35 177.64 1xfe s PHE 12 N -2.47 -0.75 0.06 4.03 2.19 0.29 -4.28 117.98 117.06 1xfe s PHE 12 Ca 0.49 1.77 0.08 0.00 0.33 0.00 0.00 56.93 59.60 1xfe s PHE 12 Cb -0.10 0.28 -0.03 0.00 -1.31 0.00 0.00 43.02 41.85 1xfe s PHE 12 CO 0.36 -0.40 -0.20 -1.59 1.83 0.00 0.00 175.22 175.22 1xfe s LYS 13 N 0.16 1.93 0.44 10.12 0.00 -1.26 0.10 119.74 131.24 1xfe s LYS 13 Ca -0.01 -1.06 0.08 0.00 0.00 0.00 0.00 55.97 54.97 1xfe s LYS 13 Cb -0.04 -2.11 -0.01 0.00 0.00 0.00 0.00 37.83 35.67 1xfe s LYS 13 CO 0.02 0.52 0.41 0.00 0.00 0.00 0.00 175.35 176.30 1xfe h HIS 15 N 0.93 0.00 -0.57 0.00 3.86 -1.92 0.90 115.15 118.36 1xfe h HIS 15 Ca -0.40 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 58.64 1xfe h HIS 15 Cb 1.27 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.64 1xfe h HIS 15 CO 0.56 0.00 0.22 0.45 0.86 0.00 0.00 177.93 180.02 1xfe n SER 16 N -4.24 4.11 -2.06 2.45 2.88 -1.26 -4.87 113.62 110.63 1xfe n SER 16 Ca 0.02 -2.92 -0.20 0.00 -1.33 0.00 0.00 58.87 54.44 1xfe n SER 16 Cb 0.31 -0.69 -0.03 0.00 -0.75 0.00 0.00 64.21 63.05 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 -0.07 0.25 3.63 0.46 0.00 0.31 -4.95 105.19 104.83 1xfe n GLY 17 Ca 0.32 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.61 4.14 -0.23 1.61 2.02 -1.25 -4.77 118.70 115.61 1xfe s GLU 18 Ca 0.00 0.59 -0.26 0.00 0.02 0.00 0.00 54.97 55.33 1xfe s GLU 18 Cb 0.00 -3.64 -0.00 0.00 0.10 0.00 0.00 34.13 30.59 1xfe s GLU 18 CO 0.00 -0.39 0.89 0.00 0.02 0.00 0.00 175.26 175.78 1xfe s ILE 20 N 2.87 0.00 0.05 0.00 -4.36 0.28 -4.95 121.20 115.09 1xfe s ILE 20 Ca 0.38 -1.96 -0.12 0.00 -0.26 0.00 0.00 60.65 58.70 1xfe s ILE 20 Cb -0.15 -2.50 -0.06 0.00 1.25 0.00 0.00 42.46 40.99 1xfe s ILE 20 CO 0.08 0.00 0.41 0.42 0.24 0.00 0.00 174.94 176.08 1xfe s THR 21 N -3.65 5.07 0.38 8.37 -4.23 -1.26 0.11 115.64 120.43 1xfe s THR 21 Ca 0.39 0.60 0.28 0.00 -1.18 0.00 0.00 61.69 61.77 1xfe s THR 21 Cb 0.04 -3.67 0.29 0.00 1.34 0.00 0.00 72.50 70.50 1xfe s THR 21 CO 0.22 0.39 2.05 0.17 -0.54 0.00 0.00 174.62 176.91 1xfe h LEU 22 N 4.07 0.00 -0.01 4.79 8.10 -1.70 -3.30 115.31 127.26 1xfe h LEU 22 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.49 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 0.64 0.12 -0.07 0.44 -4.11 0.00 0.00 178.44 175.47 1xfe h ASP 23 N 0.00 -0.22 0.00 0.17 5.19 -1.94 -0.91 116.42 118.72 1xfe h ASP 23 Ca -0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1xfe h ASP 23 Cb 0.37 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1xfe h ASP 23 CO 0.02 -0.06 0.00 2.29 -3.12 0.00 0.00 179.24 178.36 1xfe n LYS 24 N -2.91 0.58 -1.76 3.56 -0.00 -1.24 -4.84 118.16 111.54 1xfe n LYS 24 Ca -0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.89 1xfe n LYS 24 Cb 0.05 -1.18 -0.01 0.00 -0.00 0.00 0.00 35.03 33.89 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 -0.68 1.35 -2.43 0.58 0.31 -0.35 -1.93 118.33 115.19 1xfe n VAL 25 Ca 0.05 -0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 63.91 1xfe n VAL 25 Cb 0.02 -1.99 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 -0.57 -2.36 0.04 0.00 6.94 -0.81 -4.96 115.26 113.54 1xfe n ASN 27 Ca -0.12 -0.87 -0.05 0.00 -0.02 0.00 0.00 54.58 53.53 1xfe n ASN 27 Cb 0.60 -0.72 -0.10 0.00 -2.36 0.00 0.00 39.78 37.20 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 -6.52 -3.83 -0.00 -1.95 -3.47 114.93 99.16 1xfe h MET 28 Ca -0.29 0.00 -0.42 0.00 -0.00 0.00 0.00 59.70 58.98 1xfe h MET 28 Cb 0.92 0.00 0.03 0.00 -0.00 0.00 0.00 31.60 32.54 1xfe h MET 28 CO 0.19 0.64 -0.21 0.00 -0.00 0.00 0.00 176.91 177.52 1xfe s ALA 29 N -2.75 4.40 0.10 -3.00 0.00 -1.26 -5.07 121.76 114.18 1xfe s ALA 29 Ca -0.01 -1.61 -0.30 0.00 0.00 0.00 0.00 51.96 50.04 1xfe s ALA 29 Cb 0.09 -1.72 -0.06 0.00 0.00 0.00 0.00 23.12 21.43 1xfe s ALA 29 CO 0.81 -0.38 1.19 0.50 0.00 0.00 0.00 175.76 177.88 1xfe s ARG 30 N -4.44 4.46 -0.04 0.00 3.52 -1.26 -4.91 118.95 116.28 1xfe s ARG 30 Ca 0.56 1.79 0.05 0.00 -0.13 0.00 0.00 55.73 58.00 1xfe s ARG 30 Cb -0.10 -3.32 -0.07 0.00 -1.56 0.00 0.00 34.95 29.90 1xfe s ARG 30 CO 0.34 -0.19 0.05 -0.25 -0.81 0.00 0.00 175.30 174.44 1xfe n ASP 31 N 3.48 3.65 -4.39 -2.12 8.00 -1.26 -5.06 116.55 118.86 1xfe n ASP 31 Ca 0.07 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.38 1xfe n ASP 31 Cb 0.46 0.82 -0.10 0.00 -0.02 0.00 0.00 41.12 42.28 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 2.30 0.27 -0.00 0.00 -0.00 -2.02 -3.29 114.38 111.63 1xfe h ARG 33 Ca -0.39 -0.46 0.00 0.00 -0.50 0.00 0.00 59.98 58.63 1xfe h ARG 33 Cb 1.24 0.17 0.00 0.00 0.00 0.00 0.00 29.97 31.38 1xfe h ARG 33 CO 0.66 1.15 -0.22 -0.25 0.00 0.00 0.00 179.97 181.31 1xfe n ASP 34 N -3.48 0.54 -1.33 7.04 8.00 -1.26 -4.92 116.55 121.15 1xfe n ASP 34 Ca -0.15 -0.43 -0.17 0.00 0.71 0.00 0.00 54.79 54.75 1xfe n ASP 34 Cb 1.04 -0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 42.06 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 -1.09 0.00 0.17 1.24 7.02 -1.24 -4.85 117.44 118.70 1xfe n TRP 35 Ca 0.11 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.61 1xfe n TRP 35 Cb 0.32 -3.03 0.34 0.00 -2.42 0.00 0.00 31.31 26.51 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 0.02 0.42 -0.99 0.87 -1.91 -2.71 113.55 109.25 1xfe h SER 36 Ca -0.35 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.03 1xfe h SER 36 Cb 1.17 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 1xfe h SER 36 CO 0.52 0.41 -0.73 -0.78 -0.53 0.00 0.00 176.83 175.72 1xfe h ASP 37 N 0.02 0.31 -2.67 6.23 3.58 -1.92 -3.35 116.42 118.63 1xfe h ASP 37 Ca -0.00 -0.21 -0.75 0.00 0.42 0.00 0.00 57.03 56.49 1xfe h ASP 37 Cb 0.70 -0.09 -0.32 0.00 1.72 0.00 0.00 39.33 41.33 1xfe h ASP 37 CO 0.05 0.94 0.40 -0.62 -2.88 0.00 0.00 179.24 177.13 1xfe n GLU 38 N -3.79 4.01 -2.44 0.28 4.71 -1.02 -3.05 120.64 119.34 1xfe n GLU 38 Ca -0.03 -4.61 -0.39 0.00 -0.01 0.00 0.00 57.16 52.12 1xfe n GLU 38 Cb 0.70 -2.43 -0.03 0.00 -1.01 0.00 0.00 31.44 28.67 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 -2.84 3.18 0.26 3.49 0.04 -1.25 -4.87 135.00 133.01 1xfe s PRO 39 Ca 0.34 -0.40 -0.02 0.00 0.04 0.00 0.00 61.00 60.97 1xfe s PRO 39 Cb 0.09 -4.65 0.51 0.00 0.04 0.00 0.00 34.50 30.49 1xfe s PRO 39 CO 0.06 -2.36 1.75 0.82 0.04 0.00 0.00 177.00 177.30 1xfe h ILE 40 N 6.50 0.69 -0.59 0.56 2.04 -1.90 0.84 117.51 125.65 1xfe h ILE 40 Ca -0.10 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 1xfe h ILE 40 Cb 1.05 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1xfe h ILE 40 CO 1.31 0.10 0.05 0.50 0.00 0.00 0.00 178.15 180.10 1xfe h LYS 41 N 0.54 1.00 -0.02 2.37 3.64 -1.96 -2.66 116.57 119.48 1xfe h LYS 41 Ca 0.45 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1xfe h LYS 41 Cb 0.66 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1xfe h LYS 41 CO -0.38 0.95 -0.03 0.39 -2.27 0.00 0.00 179.45 178.11 1xfe n GLU 42 N -4.20 1.65 -3.54 1.90 4.71 -0.37 -4.48 120.64 116.30 1xfe n GLU 42 Ca 0.03 -1.02 -0.37 0.00 -0.01 0.00 0.00 57.16 55.79 1xfe n GLU 42 Cb 0.31 -1.48 -0.09 0.00 -1.01 0.00 0.00 31.44 29.17 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 4.26 0.27 3.56 0.00 0.00 -1.26 -4.88 105.19 107.14 1xfe n GLY 44 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 3.52 -1.15 2.61 2.01 -1.26 -4.88 115.64 114.89 1xfe s THR 45 Ca 0.00 0.37 -0.15 0.00 0.31 0.00 0.00 61.69 62.22 1xfe s THR 45 Cb 0.00 -4.16 -0.06 0.00 0.01 0.00 0.00 72.50 68.29 1xfe s THR 45 CO 0.00 -1.05 2.20 -3.20 -0.69 0.00 0.00 174.62 171.88 1xfe n ASN 46 N 11.29 4.22 0.09 3.53 2.85 -1.26 -4.53 115.26 131.45 1xfe n ASN 46 Ca 0.16 -2.67 -0.02 0.00 -0.11 0.00 0.00 54.58 51.94 1xfe n ASN 46 Cb 0.50 -1.37 -0.06 0.00 1.24 0.00 0.00 39.78 40.10 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 6.58 0.00 0.00 1.20 5.08 -1.97 -3.23 114.58 122.24 1xfe h GLU 47 Ca 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 1xfe h GLU 47 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1xfe h GLU 47 CO 1.83 0.68 0.00 0.00 -1.00 0.00 0.00 179.01 180.52 1xfe n LEU 49 N -1.23 0.18 0.04 0.00 4.77 -1.26 0.18 117.00 119.68 1xfe n LEU 49 Ca 0.00 0.51 0.03 0.00 -0.03 0.00 0.00 56.01 56.51 1xfe n LEU 49 Cb 0.00 -0.51 0.15 0.00 -2.33 0.00 0.00 43.42 40.73 1xfe n LEU 49 CO 0.00 -0.57 0.59 -0.67 -1.33 0.00 0.00 177.39 175.41 1xfe n ASP 50 N -1.70 0.15 0.00 -1.43 2.03 -1.00 -4.70 116.55 109.90 1xfe n ASP 50 Ca -0.00 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.86 1xfe n ASP 50 Cb 0.12 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 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 -1.69 0.00 0.08 1.67 6.94 -0.94 -5.00 115.26 116.33 1xfe n ASN 51 Ca -0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 54.58 54.36 1xfe n ASN 51 Cb 0.03 0.00 -0.15 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 0.53 0.00 0.53 -1.07 -1.84 -3.43 115.58 110.30 1xfe h ASN 52 Ca 0.00 -0.70 -0.03 0.00 0.07 0.00 0.00 56.30 55.64 1xfe h ASN 52 Cb 0.00 -0.17 -0.03 0.00 -2.07 0.00 0.00 38.32 36.05 1xfe h ASN 52 CO 0.00 1.57 -0.07 0.61 0.07 0.00 0.00 177.43 179.62 1xfe n GLY 53 N 1.71 -0.05 4.05 9.14 0.00 -1.25 -4.81 105.19 113.98 1xfe n GLY 53 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 1.01 1.93 -0.02 0.00 0.48 -1.26 105.19 107.34 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 -2.62 -2.80 0.00 0.00 7.64 -0.71 -4.17 113.62 110.95 1xfe n SER 56 Ca 0.00 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.53 1xfe n SER 56 Cb 0.03 2.75 0.00 0.00 -1.01 0.00 0.00 64.21 65.98 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 -3.14 0.00 -3.89 1.43 8.25 -1.26 -3.91 115.22 112.70 1xfe n HIS 57 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 1xfe n HIS 57 Cb 0.00 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 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 -0.74 1.12 -0.13 1.59 -7.23 -1.20 -4.42 120.40 109.40 1xfe s VAL 58 Ca 0.00 -0.65 -0.02 0.00 -1.81 0.00 0.00 61.98 59.50 1xfe s VAL 58 Cb 0.00 -1.30 -0.02 0.00 0.56 0.00 0.00 36.38 35.61 1xfe s VAL 58 CO 0.00 0.12 -0.07 0.00 -0.31 0.00 0.00 175.10 174.83 1xfe s ASN 60 N 0.17 6.24 -0.44 0.00 -0.87 0.26 -4.71 114.94 115.59 1xfe s ASN 60 Ca -0.04 -0.64 -0.22 0.00 -1.57 0.00 0.00 52.86 50.39 1xfe s ASN 60 Cb -0.14 -2.26 0.02 0.00 -0.02 0.00 0.00 41.25 38.85 1xfe s ASN 60 CO 0.04 -0.70 0.73 -0.62 -2.57 0.00 0.00 177.10 173.98 1xfe s ASP 61 N 2.05 6.39 0.18 -1.22 -1.08 -1.26 0.59 116.67 122.32 1xfe s ASP 61 Ca 0.16 -0.16 0.03 0.00 -0.52 0.00 0.00 52.55 52.06 1xfe s ASP 61 Cb -0.17 -2.36 -0.03 0.00 -1.46 0.00 0.00 42.92 38.90 1xfe s ASP 61 CO 0.15 -0.85 0.32 -0.76 0.52 0.00 0.00 175.17 174.55 1xfe s LEU 62 N 3.11 4.31 0.66 -1.34 1.43 -0.80 -4.91 118.68 121.14 1xfe s LEU 62 Ca 0.27 0.18 0.40 0.00 -1.03 0.00 0.00 54.13 53.95 1xfe s LEU 62 Cb -0.13 -2.94 2.20 0.00 0.03 0.00 0.00 46.19 45.35 1xfe s LEU 62 CO 0.21 0.00 2.27 0.11 0.23 0.00 0.00 176.35 179.17 1xfe h LYS 63 N 1.84 0.00 -0.04 1.70 1.57 -1.96 -1.56 116.57 118.13 1xfe h LYS 63 Ca -0.49 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 1xfe h LYS 63 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1xfe h LYS 63 CO 0.66 0.00 -0.39 1.51 -0.57 0.00 0.00 179.45 180.66 1xfe n ILE 64 N -3.16 2.21 0.00 1.86 0.13 -1.25 -2.69 119.36 116.46 1xfe n ILE 64 Ca -0.03 -3.07 0.00 0.00 -1.10 0.00 0.00 62.75 58.55 1xfe n ILE 64 Cb 0.14 -0.25 0.00 0.00 -0.84 0.00 0.00 39.64 38.69 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 4.23 3.86 4.50 0.00 -0.59 -5.08 105.19 110.97 1xfe n GLY 65 Ca 0.20 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.76 3.64 0.30 1.61 -0.85 -1.26 -1.90 117.35 118.12 1xfe s TYR 66 Ca 0.00 0.73 0.11 0.00 -0.52 0.00 0.00 57.07 57.39 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 0.65 -0.15 -1.83 -1.52 0.00 0.00 175.55 172.70 1xfe s GLU 67 N -1.36 1.77 -0.10 -3.49 1.03 0.20 -4.91 118.70 111.84 1xfe s GLU 67 Ca 0.24 -1.79 -0.09 0.00 0.03 0.00 0.00 54.97 53.35 1xfe s GLU 67 Cb -0.14 -1.79 -0.04 0.00 -0.80 0.00 0.00 34.13 31.36 1xfe s GLU 67 CO 0.12 0.27 0.21 0.00 -1.33 0.00 0.00 175.26 174.53 1xfe s LEU 69 N -0.81 2.46 0.09 0.00 1.43 0.42 -4.86 118.68 117.41 1xfe s LEU 69 Ca 0.16 -0.68 -0.12 0.00 -1.03 0.00 0.00 54.13 52.46 1xfe s LEU 69 Cb -0.13 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.77 1xfe s LEU 69 CO 0.06 0.18 0.29 0.00 0.23 0.00 0.00 176.35 177.11 1xfe n PRO 71 N 0.02 -0.28 -1.66 0.00 -0.02 -1.26 -4.87 135.00 126.93 1xfe n PRO 71 Ca -0.16 -0.04 -0.36 0.00 -2.02 0.00 0.00 63.50 60.91 1xfe n PRO 71 Cb 0.62 -1.84 0.08 0.00 -0.02 0.00 0.00 33.50 32.34 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 -2.00 4.48 -0.90 2.55 -1.08 -1.26 -2.46 116.67 116.01 1xfe s ASP 72 Ca 0.56 2.55 0.00 0.00 -0.52 0.00 0.00 52.55 55.14 1xfe s ASP 72 Cb -0.21 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.64 1xfe s ASP 72 CO 0.68 -2.08 0.00 0.61 0.52 0.00 0.00 175.17 174.89 1xfe n GLY 73 N 0.77 0.85 3.79 2.66 0.00 -1.26 -4.96 105.19 107.03 1xfe n GLY 73 Ca 0.15 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.80 3.40 -0.36 1.61 0.40 -1.03 -5.08 117.98 115.12 1xfe s PHE 74 Ca 0.00 0.38 -0.16 0.00 -0.60 0.00 0.00 56.93 56.55 1xfe s PHE 74 Cb 0.00 -1.87 -0.00 0.00 0.51 0.00 0.00 43.02 41.66 1xfe s PHE 74 CO 0.00 0.62 0.37 -0.65 0.70 0.00 0.00 175.22 176.26 1xfe s GLN 75 N -0.98 3.45 -0.51 0.44 1.11 -1.00 -4.81 119.66 117.36 1xfe s GLN 75 Ca 0.14 -0.51 -0.28 0.00 0.01 0.00 0.00 55.36 54.72 1xfe s GLN 75 Cb -0.12 -3.84 0.03 0.00 -1.01 0.00 0.00 33.01 28.07 1xfe s GLN 75 CO 0.03 -0.59 1.14 -1.17 0.01 0.00 0.00 175.29 174.71 1xfe s LEU 76 N 2.02 3.60 0.07 2.90 2.96 -1.26 0.13 118.68 129.10 1xfe s LEU 76 Ca 0.11 0.32 -0.30 0.00 -0.22 0.00 0.00 54.13 54.04 1xfe s LEU 76 Cb -0.17 -3.40 -0.05 0.00 0.50 0.00 0.00 46.19 43.08 1xfe s LEU 76 CO 0.12 -1.32 1.00 -0.69 -1.32 0.00 0.00 176.35 174.14 1xfe s VAL 77 N 4.58 4.55 0.33 1.68 1.01 0.46 -4.82 120.40 128.19 1xfe s VAL 77 Ca 0.46 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.41 1xfe s VAL 77 Cb -0.07 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1xfe s VAL 77 CO 0.29 0.23 0.00 0.00 0.00 0.00 0.00 175.10 175.62 1xfe n ALA 78 N 3.31 -3.25 -0.81 5.51 0.00 -1.26 -0.47 120.51 123.54 1xfe n ALA 78 Ca 0.04 0.45 -0.13 0.00 0.00 0.00 0.00 53.44 53.81 1xfe n ALA 78 Cb 0.49 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.81 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 -3.89 1.62 0.00 0.00 6.02 -1.26 -3.91 117.38 115.96 1xfe n GLN 79 Ca -0.00 -1.20 0.00 0.00 -0.01 0.00 0.00 57.00 55.78 1xfe n GLN 79 Cb 0.58 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.36 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 0.63 0.00 -2.89 -1.09 1.74 -1.25 -4.81 116.66 108.99 1xfe n ARG 80 Ca 0.23 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.91 1xfe n ARG 80 Cb 0.56 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.96 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 -0.76 4.51 -0.32 5.56 6.06 0.38 -1.74 118.95 132.63 1xfe s ARG 81 Ca 0.00 1.14 -0.10 0.00 -2.50 0.00 0.00 55.73 54.27 1xfe s ARG 81 Cb 0.00 -3.43 -0.01 0.00 0.06 0.00 0.00 34.95 31.57 1xfe s ARG 81 CO 0.00 0.06 0.17 0.00 -2.50 0.00 0.00 175.30 173.03