#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5o n GLU 5 N 0.00 0.00 -0.83 -0.52 0.00 -1.26 -4.95 120.64 113.09 1m5o n GLU 5 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1m5o n GLU 5 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1m5o n GLU 5 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1m5o n THR 6 N 0.00 -3.84 -2.24 3.84 -1.04 -1.26 -4.83 114.28 104.90 1m5o n THR 6 Ca 0.00 1.11 -0.35 0.00 -2.04 0.00 0.00 64.05 62.77 1m5o n THR 6 Cb 0.00 -2.34 0.00 0.00 -1.82 0.00 0.00 70.33 66.17 1m5o n THR 6 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1m5o s ARG 7 N -2.96 3.33 0.51 -2.82 0.52 -1.26 -4.88 118.95 111.40 1m5o s ARG 7 Ca 0.00 1.63 -0.22 0.00 -0.52 0.00 0.00 55.73 56.62 1m5o s ARG 7 Cb 0.00 -2.00 -0.07 0.00 0.52 0.00 0.00 34.95 33.40 1m5o s ARG 7 CO 0.00 -0.87 1.12 -2.30 0.02 0.00 0.00 175.30 173.27 1m5o n PRO 8 N -1.31 1.38 -4.05 3.54 -0.02 -1.26 -4.79 135.00 128.49 1m5o n PRO 8 Ca 0.12 0.51 -0.09 0.00 -2.02 0.00 0.00 63.50 62.02 1m5o n PRO 8 Cb 0.51 -2.27 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 1m5o n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1m5o s ASN 9 N -0.91 0.30 0.44 2.55 3.84 -1.26 -5.03 114.94 114.87 1m5o s ASN 9 Ca 0.69 -0.98 0.19 0.00 0.21 0.00 0.00 52.86 52.97 1m5o s ASN 9 Cb -0.47 0.29 1.03 0.00 -0.55 0.00 0.00 41.25 41.55 1m5o s ASN 9 CO 0.52 -0.71 1.93 0.45 -2.79 0.00 0.00 177.10 176.50 1m5o h HIS 10 N 2.90 0.00 -3.16 0.43 3.86 -1.89 -3.44 115.15 113.86 1m5o h HIS 10 Ca -0.34 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.21 1m5o h HIS 10 Cb 1.18 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.51 1m5o h HIS 10 CO 0.46 0.24 -0.58 0.99 0.86 0.00 0.00 177.93 179.91 1m5o s THR 11 N -4.19 4.69 -0.10 2.45 2.01 -1.26 -1.22 115.64 118.03 1m5o s THR 11 Ca -0.03 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 1m5o s THR 11 Cb 0.14 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 1m5o s THR 11 CO 0.66 0.56 -0.01 0.27 -0.69 0.00 0.00 174.62 175.41 1m5o s ILE 12 N -0.51 4.17 -0.23 1.82 -4.36 -0.42 -0.84 121.20 120.83 1m5o s ILE 12 Ca 0.10 -0.29 -0.11 0.00 -0.26 0.00 0.00 60.65 60.09 1m5o s ILE 12 Cb -0.12 -2.76 -0.05 0.00 1.25 0.00 0.00 42.46 40.78 1m5o s ILE 12 CO 0.02 0.58 0.18 -0.47 0.24 0.00 0.00 174.94 175.50 1m5o s TYR 13 N -0.65 3.34 -0.11 1.37 6.14 0.16 -1.84 117.35 125.76 1m5o s TYR 13 Ca 0.10 0.29 0.03 0.00 0.64 0.00 0.00 57.07 58.13 1m5o s TYR 13 Cb -0.12 -2.28 0.01 0.00 0.42 0.00 0.00 41.96 39.99 1m5o s TYR 13 CO 0.02 0.09 -0.20 0.42 0.64 0.00 0.00 175.55 176.53 1m5o s ILE 14 N 0.97 1.80 0.26 3.14 1.01 -0.36 -1.04 121.20 126.97 1m5o s ILE 14 Ca 0.09 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.94 1m5o s ILE 14 Cb -0.13 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 1m5o s ILE 14 CO 0.04 0.50 0.16 -0.46 0.00 0.00 0.00 174.94 175.18 1m5o n ASN 15 N 3.86 0.14 -1.53 3.58 2.04 -0.25 -0.75 115.26 122.35 1m5o n ASN 15 Ca -0.20 -2.55 -0.10 0.00 -0.44 0.00 0.00 54.58 51.29 1m5o n ASN 15 Cb 0.52 1.01 0.02 0.00 -2.53 0.00 0.00 39.78 38.80 1m5o n ASN 15 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1m5o n ASN 16 N -1.92 -3.58 -4.89 0.53 5.15 -0.90 -1.93 115.26 107.73 1m5o n ASN 16 Ca 0.02 -0.16 -0.32 0.00 -0.60 0.00 0.00 54.58 53.52 1m5o n ASN 16 Cb 0.43 -2.36 -0.05 0.00 -0.53 0.00 0.00 39.78 37.27 1m5o n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1m5o s LEU 17 N -3.26 4.23 -0.04 1.20 1.43 -0.87 -4.61 118.68 116.77 1m5o s LEU 17 Ca 0.17 0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 53.67 1m5o s LEU 17 Cb -0.07 -3.43 -0.07 0.00 0.03 0.00 0.00 46.19 42.65 1m5o s LEU 17 CO 0.21 0.01 1.83 0.21 0.23 0.00 0.00 176.35 178.84 1m5o s ASN 18 N -2.40 6.46 0.29 2.29 3.84 -1.26 -4.51 114.94 119.65 1m5o s ASN 18 Ca 0.43 2.36 0.26 0.00 0.21 0.00 0.00 52.86 56.12 1m5o s ASN 18 Cb -0.12 -2.53 0.91 0.00 -0.55 0.00 0.00 41.25 38.96 1m5o s ASN 18 CO 0.23 -1.08 1.76 -0.33 -2.79 0.00 0.00 177.10 174.89 1m5o h GLU 19 N 10.51 0.00 0.00 0.43 5.08 -1.95 -3.19 114.58 125.45 1m5o h GLU 19 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1m5o h GLU 19 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1m5o h GLU 19 CO 0.95 0.00 -0.01 1.63 -1.00 0.00 0.00 179.01 180.58 1m5o n LYS 20 N -2.43 0.15 -2.53 2.33 5.02 -1.26 -4.85 118.16 114.59 1m5o n LYS 20 Ca 0.03 0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 1m5o n LYS 20 Cb 0.34 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 1m5o n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1m5o s ILE 21 N -3.06 4.21 0.46 -0.18 -1.09 -1.21 -5.00 121.20 115.34 1m5o s ILE 21 Ca 0.12 1.67 -0.25 0.00 -2.23 0.00 0.00 60.65 59.96 1m5o s ILE 21 Cb 0.15 -4.07 -0.08 0.00 -1.58 0.00 0.00 42.46 36.89 1m5o s ILE 21 CO 0.57 0.17 1.44 -0.54 -1.23 0.00 0.00 174.94 175.35 1m5o s LYS 22 N 0.66 3.61 0.13 2.79 3.01 -1.26 -4.76 119.74 123.92 1m5o s LYS 22 Ca 0.54 2.44 -0.31 0.00 -1.01 0.00 0.00 55.97 57.63 1m5o s LYS 22 Cb -0.27 -2.62 -0.09 0.00 -1.01 0.00 0.00 37.83 33.85 1m5o s LYS 22 CO 0.30 -0.88 1.57 -0.22 0.51 0.00 0.00 175.35 176.63 1m5o h LYS 23 N 2.23 -0.51 -0.92 1.68 3.64 -1.97 0.85 116.57 121.57 1m5o h LYS 23 Ca -0.51 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.03 1m5o h LYS 23 Cb 1.27 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 33.12 1m5o h LYS 23 CO 0.61 -0.34 0.54 -0.44 -2.27 0.00 0.00 179.45 177.55 1m5o h ASP 24 N -0.53 0.75 -0.51 4.20 5.19 -1.98 -0.86 116.42 122.68 1m5o h ASP 24 Ca 0.06 0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 1m5o h ASP 24 Cb 0.66 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 1m5o h ASP 24 CO -0.43 0.38 0.10 -0.08 -3.12 0.00 0.00 179.24 176.09 1m5o h GLU 25 N 0.83 0.84 -0.45 3.56 4.57 -1.72 -2.61 114.58 119.60 1m5o h GLU 25 Ca 0.47 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 1m5o h GLU 25 Cb 0.54 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 1m5o h GLU 25 CO -0.30 0.82 0.21 1.25 -1.18 0.00 0.00 179.01 179.81 1m5o h LEU 26 N 0.72 0.59 -0.46 1.64 5.85 0.49 -2.47 115.31 121.68 1m5o h LEU 26 Ca 0.16 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1m5o h LEU 26 Cb 0.38 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1m5o h LEU 26 CO 0.01 0.56 0.02 0.11 -0.34 0.00 0.00 178.44 178.80 1m5o h LYS 27 N 0.58 0.80 0.24 1.25 1.57 -1.29 -1.08 116.57 118.64 1m5o h LYS 27 Ca 0.15 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1m5o h LYS 27 Cb 0.13 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1m5o h LYS 27 CO -0.02 0.84 -0.27 -0.22 -0.57 0.00 0.00 179.45 179.21 1m5o h LYS 28 N 0.65 -0.54 -0.64 3.15 3.64 -1.38 0.21 116.57 121.66 1m5o h LYS 28 Ca 0.13 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1m5o h LYS 28 Cb 0.47 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 1m5o h LYS 28 CO 0.02 -0.36 0.42 0.77 -2.27 0.00 0.00 179.45 178.03 1m5o h SER 29 N -0.56 0.74 -0.64 4.20 0.02 -1.43 -0.18 113.55 115.70 1m5o h SER 29 Ca -0.00 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1m5o h SER 29 Cb 0.53 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 1m5o h SER 29 CO -0.08 0.54 0.38 -0.07 -1.14 0.00 0.00 176.83 176.46 1m5o h LEU 30 N 0.87 0.59 -0.70 5.07 3.38 -0.81 0.13 115.31 123.84 1m5o h LEU 30 Ca 0.23 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1m5o h LEU 30 Cb -0.09 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1m5o h LEU 30 CO -0.05 0.40 0.41 -0.74 0.09 0.00 0.00 178.44 178.55 1m5o h HIS 31 N 0.72 0.94 -0.56 1.13 2.76 0.11 0.69 115.15 120.96 1m5o h HIS 31 Ca 0.27 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.38 1m5o h HIS 31 Cb 0.09 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 1m5o h HIS 31 CO -0.06 0.65 0.14 0.00 -1.30 0.00 0.00 177.93 177.36 1m5o h ALA 32 N 1.21 1.20 0.02 5.26 0.00 -0.15 -0.31 119.26 126.49 1m5o h ALA 32 Ca 0.25 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 1m5o h ALA 32 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1m5o h ALA 32 CO -0.04 0.55 -0.97 0.82 0.00 0.00 0.00 179.25 179.61 1m5o h ILE 33 N 0.82 1.60 0.00 0.00 5.03 -0.55 -3.38 117.51 121.03 1m5o h ILE 33 Ca 0.18 -3.04 0.00 0.00 -0.12 0.00 0.00 64.86 61.88 1m5o h ILE 33 Cb 0.29 2.70 0.00 0.00 -3.03 0.00 0.00 36.82 36.78 1m5o h ILE 33 CO -0.00 0.88 -0.78 0.49 -0.68 0.00 0.00 178.15 178.05 1m5o n PHE 34 N -3.50 0.00 0.11 1.37 3.72 0.20 -4.57 117.46 114.78 1m5o n PHE 34 Ca -0.02 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.54 1m5o n PHE 34 Cb 0.89 -0.01 0.70 0.00 -0.94 0.00 0.00 39.48 40.12 1m5o n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1m5o h SER 35 N 0.00 0.00 0.32 4.37 4.64 -1.23 -2.45 113.55 119.19 1m5o h SER 35 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1m5o h SER 35 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1m5o h SER 35 CO 0.00 0.00 -0.02 0.08 -0.87 0.00 0.00 176.83 176.02 1m5o h ARG 36 N 0.00 0.00 0.00 4.77 0.11 -1.84 -2.58 114.38 114.84 1m5o h ARG 36 Ca 0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.23 1m5o h ARG 36 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 1m5o h ARG 36 CO -0.00 0.02 -0.13 1.19 0.10 0.00 0.00 179.97 181.14 1m5o n PHE 37 N -3.21 0.17 0.00 4.08 3.72 -0.92 -5.01 117.46 116.28 1m5o n PHE 37 Ca -0.02 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1m5o n PHE 37 Cb 0.16 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.17 1m5o n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1m5o n GLY 38 N 1.46 1.49 3.74 1.37 0.00 -0.97 -4.53 105.19 107.75 1m5o n GLY 38 Ca 0.06 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1m5o n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1m5o s GLN 39 N -1.62 4.21 -0.28 1.61 0.74 -1.26 -4.67 119.66 118.39 1m5o s GLN 39 Ca 0.00 2.40 -0.09 0.00 0.05 0.00 0.00 55.36 57.71 1m5o s GLN 39 Cb 0.00 -3.09 -0.03 0.00 1.10 0.00 0.00 33.01 30.99 1m5o s GLN 39 CO 0.00 -0.52 0.14 0.42 -0.55 0.00 0.00 175.29 174.78 1m5o s ILE 40 N 0.25 4.77 0.16 -2.34 1.01 -1.26 -1.83 121.20 121.96 1m5o s ILE 40 Ca 0.63 -0.11 0.08 0.00 0.00 0.00 0.00 60.65 61.24 1m5o s ILE 40 Cb -0.44 -3.30 -0.17 0.00 0.01 0.00 0.00 42.46 38.56 1m5o s ILE 40 CO 0.42 0.23 1.36 -0.07 0.00 0.00 0.00 174.94 176.88 1m5o h LEU 41 N 8.32 0.01 -7.03 2.97 3.38 -1.19 -3.48 115.31 118.29 1m5o h LEU 41 Ca -0.35 -0.01 0.25 0.00 0.09 0.00 0.00 57.88 57.86 1m5o h LEU 41 Cb 1.17 -0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.74 1m5o h LEU 41 CO 0.58 0.91 0.79 -0.62 0.09 0.00 0.00 178.44 180.19 1m5o s ASP 42 N -6.75 -0.14 -0.08 -0.43 -1.08 -1.20 -5.03 116.67 101.96 1m5o s ASP 42 Ca 0.00 -0.02 -0.01 0.00 -0.52 0.00 0.00 52.55 52.00 1m5o s ASP 42 Cb 0.11 0.17 0.03 0.00 -1.46 0.00 0.00 42.92 41.76 1m5o s ASP 42 CO 0.81 -0.27 -0.02 -0.63 0.52 0.00 0.00 175.17 175.58 1m5o s ILE 43 N -2.48 0.54 -0.19 4.11 1.01 -1.26 -1.22 121.20 121.71 1m5o s ILE 43 Ca 0.10 0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.68 1m5o s ILE 43 Cb -0.00 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1m5o s ILE 43 CO -0.05 0.27 0.08 -0.76 0.00 0.00 0.00 174.94 174.48 1m5o s LEU 44 N 1.91 3.87 -0.09 2.97 2.01 0.10 -4.94 118.68 124.52 1m5o s LEU 44 Ca 0.05 0.10 -0.04 0.00 0.01 0.00 0.00 54.13 54.24 1m5o s LEU 44 Cb -0.12 -1.99 0.04 0.00 0.01 0.00 0.00 46.19 44.13 1m5o s LEU 44 CO -0.06 0.17 0.20 -0.69 1.01 0.00 0.00 176.35 176.98 1m5o s VAL 45 N 0.42 -0.07 0.02 -1.59 1.01 -1.26 -0.94 120.40 117.99 1m5o s VAL 45 Ca 0.04 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.21 1m5o s VAL 45 Cb -0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 1m5o s VAL 45 CO 0.00 0.07 -0.05 -0.55 0.00 0.00 0.00 175.10 174.58 1m5o s SER 46 N 1.33 0.49 -0.22 3.32 0.15 -1.26 -5.05 113.70 112.46 1m5o s SER 46 Ca -0.08 -0.32 0.15 0.00 0.70 0.00 0.00 55.95 56.39 1m5o s SER 46 Cb -0.11 0.02 0.69 0.00 -1.71 0.00 0.00 66.02 64.91 1m5o s SER 46 CO -0.07 -0.12 1.61 0.54 1.20 0.00 0.00 173.24 176.39 1m5o n ARG 47 N 2.16 3.95 -1.18 5.44 1.74 -1.26 -2.95 116.66 124.56 1m5o n ARG 47 Ca -0.19 -3.03 -0.30 0.00 -0.77 0.00 0.00 57.85 53.57 1m5o n ARG 47 Cb 0.57 -2.08 0.13 0.00 -1.02 0.00 0.00 32.46 30.06 1m5o n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1m5o s SER 48 N -1.33 3.56 0.23 0.55 1.04 -1.26 -4.56 113.70 111.92 1m5o s SER 48 Ca 0.49 1.57 -0.14 0.00 0.48 0.00 0.00 55.95 58.35 1m5o s SER 48 Cb 0.39 -2.25 0.27 0.00 0.10 0.00 0.00 66.02 64.53 1m5o s SER 48 CO 0.12 -2.59 1.59 0.25 0.98 0.00 0.00 173.24 173.59 1m5o h LEU 49 N -1.52 -0.94 -0.12 2.42 5.85 -1.97 -0.60 115.31 118.43 1m5o h LEU 49 Ca -0.49 0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 1m5o h LEU 49 Cb 1.28 0.55 -0.01 0.00 0.37 0.00 0.00 40.66 42.85 1m5o h LEU 49 CO 0.53 -0.28 -0.31 0.11 -0.34 0.00 0.00 178.44 178.15 1m5o h LYS 50 N -0.04 0.00 -0.01 1.25 1.79 -1.97 -3.35 116.57 114.24 1m5o h LYS 50 Ca 0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1m5o h LYS 50 Cb 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1m5o h LYS 50 CO -0.81 0.31 -0.43 -1.33 -1.08 0.00 0.00 179.45 176.11 1m5o n MET 51 N -3.20 2.05 -1.90 3.15 2.81 -0.85 -5.02 117.12 114.16 1m5o n MET 51 Ca 0.02 -0.47 -0.37 0.00 -1.81 0.00 0.00 57.70 55.07 1m5o n MET 51 Cb 0.64 -1.19 0.04 0.00 -0.71 0.00 0.00 33.22 31.99 1m5o n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1m5o s ARG 52 N -1.96 3.12 -0.03 0.03 1.70 -0.29 -2.93 118.95 118.59 1m5o s ARG 52 Ca 0.09 2.06 0.00 0.00 -0.47 0.00 0.00 55.73 57.42 1m5o s ARG 52 Cb 0.11 -2.16 0.00 0.00 -0.57 0.00 0.00 34.95 32.33 1m5o s ARG 52 CO 0.44 -1.15 0.00 0.41 -1.08 0.00 0.00 175.30 173.91 1m5o n GLY 53 N 0.67 0.47 3.06 3.88 0.00 -1.26 -4.99 105.19 107.02 1m5o n GLY 53 Ca 0.11 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 1m5o n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m5o s GLN 54 N -0.59 0.53 0.02 1.61 -0.21 -1.15 -2.05 119.66 117.82 1m5o s GLN 54 Ca 0.00 -1.04 -0.19 0.00 0.02 0.00 0.00 55.36 54.15 1m5o s GLN 54 Cb 0.00 0.15 0.04 0.00 1.00 0.00 0.00 33.01 34.20 1m5o s GLN 54 CO 0.00 -0.08 0.42 0.00 -2.12 0.00 0.00 175.29 173.51 1m5o s ALA 55 N -3.14 -1.06 -0.15 6.09 0.00 0.07 -4.45 121.76 119.11 1m5o s ALA 55 Ca 0.00 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1m5o s ALA 55 Cb 0.02 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1m5o s ALA 55 CO -0.07 -0.40 -0.17 -0.06 0.00 0.00 0.00 175.76 175.05 1m5o s PHE 56 N -2.05 2.75 -0.25 0.00 0.40 -0.11 -1.23 117.98 117.49 1m5o s PHE 56 Ca -0.08 -1.19 -0.02 0.00 -0.60 0.00 0.00 56.93 55.05 1m5o s PHE 56 Cb -0.02 -1.88 0.03 0.00 0.51 0.00 0.00 43.02 41.66 1m5o s PHE 56 CO 0.01 -0.55 -0.06 0.08 0.70 0.00 0.00 175.22 175.40 1m5o s VAL 57 N 0.88 2.88 -0.27 -0.44 1.01 -0.77 0.02 120.40 123.70 1m5o s VAL 57 Ca -0.05 -1.04 -0.13 0.00 0.00 0.00 0.00 61.98 60.77 1m5o s VAL 57 Cb -0.15 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1m5o s VAL 57 CO -0.02 0.19 0.27 -0.63 0.00 0.00 0.00 175.10 174.91 1m5o s ILE 58 N 1.32 5.25 0.17 2.22 1.01 -0.36 -1.30 121.20 129.52 1m5o s ILE 58 Ca -0.00 0.35 0.02 0.00 0.00 0.00 0.00 60.65 61.02 1m5o s ILE 58 Cb -0.17 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1m5o s ILE 58 CO -0.04 0.21 0.31 -0.36 0.00 0.00 0.00 174.94 175.06 1m5o s PHE 59 N 1.86 3.48 0.22 3.97 0.08 -0.35 -0.65 117.98 126.59 1m5o s PHE 59 Ca 0.11 0.14 -0.02 0.00 0.12 0.00 0.00 56.93 57.28 1m5o s PHE 59 Cb -0.16 -1.69 0.22 0.00 -0.57 0.00 0.00 43.02 40.82 1m5o s PHE 59 CO 0.10 0.48 1.60 -0.22 -0.10 0.00 0.00 175.22 177.09 1m5o h LYS 60 N 2.01 0.58 -6.34 0.44 3.64 -1.66 -3.44 116.57 111.80 1m5o h LYS 60 Ca -0.49 -0.29 -0.67 0.00 -1.27 0.00 0.00 60.65 57.94 1m5o h LYS 60 Cb 1.20 -0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.72 1m5o h LYS 60 CO 0.68 0.87 -0.88 -1.21 -2.27 0.00 0.00 179.45 176.64 1m5o s GLU 61 N -4.29 2.06 0.34 1.90 0.41 -1.26 -5.03 118.70 112.83 1m5o s GLU 61 Ca -0.08 -0.87 0.02 0.00 -0.41 0.00 0.00 54.97 53.64 1m5o s GLU 61 Cb 0.12 -1.94 0.62 0.00 -1.78 0.00 0.00 34.13 31.15 1m5o s GLU 61 CO 0.82 0.50 1.98 0.28 -0.49 0.00 0.00 175.26 178.35 1m5o h VAL 62 N 4.63 1.13 -0.03 2.63 2.07 -1.85 -1.31 116.25 123.51 1m5o h VAL 62 Ca -0.40 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1m5o h VAL 62 Cb 1.13 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1m5o h VAL 62 CO 0.47 0.16 0.02 0.77 0.02 0.00 0.00 177.57 179.02 1m5o h SER 63 N 0.89 0.00 0.22 0.57 4.64 -1.96 -0.87 113.55 117.05 1m5o h SER 63 Ca 0.28 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.40 1m5o h SER 63 Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1m5o h SER 63 CO -0.08 0.00 -0.80 0.28 -0.87 0.00 0.00 176.83 175.37 1m5o h SER 64 N 0.00 0.57 -0.32 4.97 0.02 -1.47 -2.36 113.55 114.95 1m5o h SER 64 Ca 0.01 -0.39 -0.08 0.00 -0.84 0.00 0.00 61.79 60.49 1m5o h SER 64 Cb 0.06 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1m5o h SER 64 CO -0.00 1.16 -0.10 0.00 -1.14 0.00 0.00 176.83 176.75 1m5o h ALA 65 N 0.82 0.44 -0.79 3.77 0.00 -1.08 -1.91 119.26 120.50 1m5o h ALA 65 Ca -0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1m5o h ALA 65 Cb 1.40 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1m5o h ALA 65 CO 0.14 0.29 0.48 1.15 0.00 0.00 0.00 179.25 181.31 1m5o h THR 66 N 0.39 1.22 -0.36 0.00 2.02 -1.25 0.98 112.91 115.92 1m5o h THR 66 Ca 0.08 -0.49 -0.14 0.00 0.77 0.00 0.00 66.41 66.62 1m5o h THR 66 Cb 0.60 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1m5o h THR 66 CO 0.04 0.23 -0.33 0.78 0.37 0.00 0.00 175.52 176.61 1m5o h ASN 67 N 1.09 0.86 -0.27 4.18 2.35 -1.37 -2.43 115.58 119.99 1m5o h ASN 67 Ca 0.28 -0.36 -0.10 0.00 -0.55 0.00 0.00 56.30 55.57 1m5o h ASN 67 Cb -0.04 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 1m5o h ASN 67 CO -0.05 1.11 -0.19 0.00 -1.65 0.00 0.00 177.43 176.65 1m5o h ALA 68 N 0.94 0.96 -0.30 -0.83 0.00 -0.96 -0.78 119.26 118.29 1m5o h ALA 68 Ca 0.07 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1m5o h ALA 68 Cb 0.89 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1m5o h ALA 68 CO 0.08 0.61 -0.03 1.25 0.00 0.00 0.00 179.25 181.16 1m5o h LEU 69 N 0.64 0.55 -0.55 0.00 5.85 -0.67 -1.66 115.31 119.46 1m5o h LEU 69 Ca 0.10 -0.33 -0.14 0.00 0.84 0.00 0.00 57.88 58.35 1m5o h LEU 69 Cb 0.67 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1m5o h LEU 69 CO 0.05 0.75 -0.31 0.03 -0.34 0.00 0.00 178.44 178.62 1m5o h ARG 70 N 0.34 0.84 0.00 1.25 3.08 -1.39 -3.08 114.38 115.41 1m5o h ARG 70 Ca 0.08 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 1m5o h ARG 70 Cb 0.49 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1m5o h ARG 70 CO 0.02 1.03 -0.53 0.77 -1.07 0.00 0.00 179.97 180.19 1m5o h SER 71 N 0.71 0.00 -0.10 7.04 0.02 -1.13 -3.37 113.55 116.71 1m5o h SER 71 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1m5o h SER 71 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1m5o h SER 71 CO 0.08 0.15 0.00 0.23 -1.14 0.00 0.00 176.83 176.15 1m5o n MET 72 N -2.98 1.17 -1.67 3.45 2.81 -0.63 -4.95 117.12 114.32 1m5o n MET 72 Ca 0.01 -1.34 -0.49 0.00 -1.81 0.00 0.00 57.70 54.07 1m5o n MET 72 Cb 0.61 -1.18 -0.05 0.00 -0.71 0.00 0.00 33.22 31.89 1m5o n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1m5o n GLN 73 N 0.41 1.96 -0.87 0.03 -0.06 -1.16 -1.11 117.38 116.57 1m5o n GLN 73 Ca 0.06 0.71 0.00 0.00 -2.00 0.00 0.00 57.00 55.78 1m5o n GLN 73 Cb 0.28 -2.50 0.00 0.00 -4.06 0.00 0.00 30.24 23.96 1m5o n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1m5o n GLY 74 N 3.89 1.02 3.64 1.69 0.00 -0.01 -4.98 105.19 110.43 1m5o n GLY 74 Ca 0.21 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.75 1m5o n GLY 74 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1m5o n PHE 75 N -2.00 1.95 -1.88 1.61 7.35 -0.27 -4.05 117.46 120.16 1m5o n PHE 75 Ca 0.00 0.43 -0.42 0.00 -0.76 0.00 0.00 57.45 56.70 1m5o n PHE 75 Cb 0.00 -2.45 -0.03 0.00 0.35 0.00 0.00 39.48 37.35 1m5o n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1m5o s PRO 76 N 0.59 4.18 -0.21 -7.13 0.02 -1.26 -1.65 135.00 129.54 1m5o s PRO 76 Ca 0.80 2.36 -0.04 0.00 0.02 0.00 0.00 61.00 64.14 1m5o s PRO 76 Cb -0.78 -3.85 0.10 0.00 0.02 0.00 0.00 34.50 29.98 1m5o s PRO 76 CO 0.43 -0.83 0.22 0.12 -0.33 0.00 0.00 177.00 176.61 1m5o s PHE 77 N 3.50 -0.24 -1.47 6.54 5.36 -0.45 -4.85 117.98 126.36 1m5o s PHE 77 Ca 0.77 0.12 -0.09 0.00 -0.96 0.00 0.00 56.93 56.77 1m5o s PHE 77 Cb -0.39 -0.41 0.06 0.00 -0.34 0.00 0.00 43.02 41.94 1m5o s PHE 77 CO 0.34 -0.63 0.83 0.66 -1.46 0.00 0.00 175.22 174.96 1m5o n TYR 78 N 5.31 -2.09 -1.04 10.12 4.01 -1.26 -2.02 117.16 130.19 1m5o n TYR 78 Ca -0.05 0.86 -0.01 0.00 -0.16 0.00 0.00 57.90 58.54 1m5o n TYR 78 Cb 0.49 -4.00 -0.01 0.00 -0.31 0.00 0.00 39.34 35.51 1m5o n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1m5o n ASP 79 N -2.90 -3.55 -3.82 7.72 8.00 -1.26 -4.74 116.55 115.99 1m5o n ASP 79 Ca -0.09 0.03 -0.14 0.00 0.71 0.00 0.00 54.79 55.31 1m5o n ASP 79 Cb 0.58 -1.16 -0.15 0.00 -0.02 0.00 0.00 41.12 40.37 1m5o n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1m5o s LYS 80 N -1.03 0.00 0.07 -1.24 1.02 -0.86 -5.09 119.74 112.62 1m5o s LYS 80 Ca 0.00 0.08 -0.31 0.00 0.02 0.00 0.00 55.97 55.77 1m5o s LYS 80 Cb 0.00 -0.14 -0.06 0.00 -0.52 0.00 0.00 37.83 37.11 1m5o s LYS 80 CO 0.00 -0.08 1.30 -1.25 -0.92 0.00 0.00 175.35 174.40 1m5o s PRO 81 N 0.52 4.37 0.22 -1.68 0.04 -1.26 -1.34 135.00 135.87 1m5o s PRO 81 Ca -0.04 1.91 -0.23 0.00 0.04 0.00 0.00 61.00 62.68 1m5o s PRO 81 Cb -0.06 -3.34 -0.08 0.00 0.04 0.00 0.00 34.50 31.06 1m5o s PRO 81 CO -0.01 -0.37 0.79 0.00 0.04 0.00 0.00 177.00 177.45 1m5o s MET 82 N 1.26 4.44 -0.18 4.56 0.23 -0.66 -4.86 119.30 124.08 1m5o s MET 82 Ca 0.62 1.08 -0.08 0.00 -1.03 0.00 0.00 55.69 56.28 1m5o s MET 82 Cb -0.33 -3.01 -0.04 0.00 -1.53 0.00 0.00 34.83 29.93 1m5o s MET 82 CO 0.29 0.44 0.07 0.50 -2.03 0.00 0.00 175.02 174.28 1m5o s ARG 83 N -1.68 3.98 -0.04 3.16 3.52 -0.81 -0.83 118.95 126.24 1m5o s ARG 83 Ca 0.42 -0.34 0.05 0.00 -0.13 0.00 0.00 55.73 55.73 1m5o s ARG 83 Cb -0.20 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 29.96 1m5o s ARG 83 CO 0.24 0.26 -0.20 0.42 -0.81 0.00 0.00 175.30 175.21 1m5o s ILE 84 N 0.40 1.60 0.14 4.11 1.01 -1.26 -1.09 121.20 126.12 1m5o s ILE 84 Ca 0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 1m5o s ILE 84 Cb -0.12 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 1m5o s ILE 84 CO 0.00 0.46 0.14 -1.10 0.00 0.00 0.00 174.94 174.44 1m5o s GLN 85 N -0.14 1.01 0.58 2.79 -0.21 -0.21 -5.00 119.66 118.48 1m5o s GLN 85 Ca -0.01 -1.34 -0.15 0.00 0.02 0.00 0.00 55.36 53.88 1m5o s GLN 85 Cb -0.11 0.29 -0.05 0.00 1.00 0.00 0.00 33.01 34.14 1m5o s GLN 85 CO 0.02 -0.32 1.03 0.71 -2.12 0.00 0.00 175.29 174.61 1m5o s TYR 86 N -4.02 3.22 0.49 0.91 2.02 -1.26 0.40 117.35 119.11 1m5o s TYR 86 Ca 0.21 1.47 -0.22 0.00 -0.37 0.00 0.00 57.07 58.17 1m5o s TYR 86 Cb 0.06 -2.90 -0.07 0.00 -0.40 0.00 0.00 41.96 38.66 1m5o s TYR 86 CO 0.01 -0.83 1.17 0.00 -1.57 0.00 0.00 175.55 174.33 1m5o s ALA 87 N -2.63 2.87 0.25 3.71 0.00 -0.02 -4.43 121.76 121.51 1m5o s ALA 87 Ca 0.61 0.93 0.04 0.00 0.00 0.00 0.00 51.96 53.54 1m5o s ALA 87 Cb -0.13 -3.39 0.32 0.00 0.00 0.00 0.00 23.12 19.91 1m5o s ALA 87 CO 0.38 -0.76 1.62 0.87 0.00 0.00 0.00 175.76 177.87 1m5o h LYS 88 N 1.72 0.30 -5.55 0.00 1.57 -1.93 -3.45 116.57 109.23 1m5o h LYS 88 Ca -0.50 -0.17 -0.44 0.00 -1.87 0.00 0.00 60.65 57.67 1m5o h LYS 88 Cb 1.26 0.01 -0.19 0.00 0.08 0.00 0.00 32.23 33.39 1m5o h LYS 88 CO 0.59 0.73 -0.77 0.99 -0.57 0.00 0.00 179.45 180.42 1m5o s THR 89 N -3.99 1.38 0.41 -0.16 2.01 -1.26 -4.96 115.64 109.07 1m5o s THR 89 Ca -0.05 -1.62 -0.27 0.00 0.31 0.00 0.00 61.69 60.06 1m5o s THR 89 Cb 0.13 -1.46 -0.10 0.00 0.01 0.00 0.00 72.50 71.08 1m5o s THR 89 CO 0.79 -0.32 1.45 -1.81 -0.69 0.00 0.00 174.62 174.04 1m5o s ASP 90 N -2.24 6.12 0.52 3.53 1.01 -1.26 -4.95 116.67 119.40 1m5o s ASP 90 Ca 0.07 2.97 -0.19 0.00 0.71 0.00 0.00 52.55 56.11 1m5o s ASP 90 Cb -0.07 -2.66 -0.07 0.00 1.01 0.00 0.00 42.92 41.14 1m5o s ASP 90 CO 0.03 -1.02 1.06 -0.44 0.21 0.00 0.00 175.17 175.02 1m5o s SER 91 N -0.35 6.07 0.25 0.27 0.01 -1.26 -4.78 113.70 113.91 1m5o s SER 91 Ca 0.57 1.96 -0.03 0.00 1.31 0.00 0.00 55.95 59.75 1m5o s SER 91 Cb -0.45 -2.56 0.48 0.00 0.21 0.00 0.00 66.02 63.71 1m5o s SER 91 CO 0.59 -0.97 1.74 0.44 0.41 0.00 0.00 173.24 175.45 1m5o h ASP 92 N 1.21 0.36 0.24 2.44 3.32 -1.98 -0.68 116.42 121.32 1m5o h ASP 92 Ca -0.49 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 1m5o h ASP 92 Cb 1.23 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 1m5o h ASP 92 CO 0.58 0.14 -0.12 0.16 -1.72 0.00 0.00 179.24 178.28 1m5o h ILE 93 N 0.50 0.73 0.17 0.35 -0.00 -1.97 0.16 117.51 117.45 1m5o h ILE 93 Ca 0.43 -0.46 -0.27 0.00 -0.00 0.00 0.00 64.86 64.56 1m5o h ILE 93 Cb 0.64 1.27 0.02 0.00 -0.00 0.00 0.00 36.82 38.75 1m5o h ILE 93 CO -0.39 0.11 -1.26 0.40 -0.00 0.00 0.00 178.15 177.01 1m5o h ILE 94 N 0.00 1.25 -0.41 0.16 1.08 -1.62 -3.12 117.51 114.85 1m5o h ILE 94 Ca -0.00 -2.54 -0.11 0.00 -0.39 0.00 0.00 64.86 61.82 1m5o h ILE 94 Cb 0.27 2.98 -0.01 0.00 -3.07 0.00 0.00 36.82 36.98 1m5o h ILE 94 CO 0.01 0.76 -0.19 0.00 -0.69 0.00 0.00 178.15 178.04 1m5o h ALA 95 N 0.07 0.58 0.00 1.87 0.00 -0.77 -2.70 119.26 118.30 1m5o h ALA 95 Ca -0.24 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1m5o h ALA 95 Cb 1.87 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1m5o h ALA 95 CO 0.16 0.53 0.00 1.63 0.00 0.00 0.00 179.25 181.57 1m5o n LYS 96 N -4.23 0.42 -1.95 0.00 5.02 0.52 -4.79 118.16 113.15 1m5o n LYS 96 Ca -0.01 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 1m5o n LYS 96 Cb 0.43 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.92 1m5o n LYS 96 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1m5o s MET 97 N -2.53 4.22 0.00 1.97 1.75 -1.02 -5.06 119.30 118.63 1m5o s MET 97 Ca 0.27 2.41 0.00 0.00 -1.25 0.00 0.00 55.69 57.11 1m5o s MET 97 Cb 0.18 -3.02 0.00 0.00 2.84 0.00 0.00 34.83 34.83 1m5o s MET 97 CO 0.41 -0.39 0.48 1.63 -0.65 0.00 0.00 175.02 176.50