#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5o s ARG 7 N 0.00 3.77 0.26 -2.82 1.70 -1.26 -4.89 118.95 115.71 1m5o s ARG 7 Ca 0.00 0.22 -0.27 0.00 -0.47 0.00 0.00 55.73 55.20 1m5o s ARG 7 Cb 0.00 -2.67 -0.15 0.00 -0.57 0.00 0.00 34.95 31.56 1m5o s ARG 7 CO 0.00 0.33 0.75 -2.30 -1.08 0.00 0.00 175.30 173.00 1m5o n PRO 8 N -0.14 0.69 -3.83 3.89 -0.02 -1.26 -4.80 135.00 129.52 1m5o n PRO 8 Ca 0.00 0.24 -0.10 0.00 -2.02 0.00 0.00 63.50 61.62 1m5o n PRO 8 Cb 0.52 -1.44 -0.08 0.00 -0.02 0.00 0.00 33.50 32.48 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 -0.79 0.03 0.42 2.55 3.84 -1.26 -5.03 114.94 114.70 1m5o s ASN 9 Ca 0.61 -0.42 0.11 0.00 0.21 0.00 0.00 52.86 53.36 1m5o s ASN 9 Cb -0.79 0.32 0.89 0.00 -0.55 0.00 0.00 41.25 41.12 1m5o s ASN 9 CO 0.58 -0.62 1.98 0.45 -2.79 0.00 0.00 177.10 176.71 1m5o h HIS 10 N 3.20 0.23 -2.97 0.43 3.86 -1.89 -3.43 115.15 114.58 1m5o h HIS 10 Ca -0.33 -0.01 -0.67 0.00 -1.16 0.00 0.00 60.37 58.20 1m5o h HIS 10 Cb 1.20 -0.07 -0.10 0.00 1.06 0.00 0.00 27.41 29.49 1m5o h HIS 10 CO 0.47 0.29 -0.55 0.99 0.86 0.00 0.00 177.93 179.99 1m5o s THR 11 N -4.90 4.94 -0.04 2.45 2.01 -1.26 -1.23 115.64 117.60 1m5o s THR 11 Ca -0.06 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 61.89 1m5o s THR 11 Cb 0.16 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 1m5o s THR 11 CO 0.72 0.56 -0.09 0.27 -0.69 0.00 0.00 174.62 175.39 1m5o s ILE 12 N -1.01 3.48 -0.23 1.82 -4.36 -0.88 -1.16 121.20 118.85 1m5o s ILE 12 Ca 0.16 -0.63 -0.09 0.00 -0.26 0.00 0.00 60.65 59.82 1m5o s ILE 12 Cb -0.12 -2.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 1m5o s ILE 12 CO 0.06 0.54 0.13 -0.47 0.24 0.00 0.00 174.94 175.44 1m5o s TYR 13 N -0.83 3.26 -0.13 1.37 6.14 0.21 -2.29 117.35 125.07 1m5o s TYR 13 Ca 0.13 0.09 0.02 0.00 0.64 0.00 0.00 57.07 57.95 1m5o s TYR 13 Cb -0.11 -2.24 0.00 0.00 0.42 0.00 0.00 41.96 40.04 1m5o s TYR 13 CO 0.03 -0.00 -0.21 0.42 0.64 0.00 0.00 175.55 176.43 1m5o s ILE 14 N 1.07 2.24 0.19 3.14 1.01 -0.06 -1.12 121.20 127.66 1m5o s ILE 14 Ca 0.06 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1m5o s ILE 14 Cb -0.14 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 1m5o s ILE 14 CO 0.04 0.54 0.07 -0.46 0.00 0.00 0.00 174.94 175.14 1m5o n ASN 15 N 3.92 1.03 -3.03 3.58 2.04 -0.33 -0.90 115.26 121.57 1m5o n ASN 15 Ca -0.19 -2.02 -0.17 0.00 -0.44 0.00 0.00 54.58 51.76 1m5o n ASN 15 Cb 0.52 0.49 0.07 0.00 -2.53 0.00 0.00 39.78 38.33 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 -1.83 -3.98 -4.93 0.53 5.15 -1.07 -2.17 115.26 106.96 1m5o n ASN 16 Ca -0.02 -0.47 -0.28 0.00 -0.60 0.00 0.00 54.58 53.20 1m5o n ASN 16 Cb 0.29 -4.27 -0.03 0.00 -0.53 0.00 0.00 39.78 35.23 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 -5.92 4.32 -0.27 1.20 1.43 -0.85 -4.62 118.68 113.97 1m5o s LEU 17 Ca 0.26 0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 53.33 1m5o s LEU 17 Cb -0.12 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 1m5o s LEU 17 CO 0.60 0.07 1.97 0.21 0.23 0.00 0.00 176.35 179.43 1m5o s ASN 18 N -2.98 5.73 0.14 2.29 3.84 -1.26 -4.53 114.94 118.17 1m5o s ASN 18 Ca 0.36 1.58 0.17 0.00 0.21 0.00 0.00 52.86 55.18 1m5o s ASN 18 Cb -0.12 -2.52 0.75 0.00 -0.55 0.00 0.00 41.25 38.81 1m5o s ASN 18 CO 0.28 -1.79 1.52 -0.62 -2.79 0.00 0.00 177.10 173.71 1m5o n GLU 19 N 8.53 0.09 0.19 0.43 1.02 -1.26 -2.93 120.64 126.72 1m5o n GLU 19 Ca 0.26 0.39 0.10 0.00 -0.02 0.00 0.00 57.16 57.89 1m5o n GLU 19 Cb 0.46 -1.70 0.13 0.00 -0.02 0.00 0.00 31.44 30.31 1m5o n GLU 19 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1m5o h LYS 20 N 0.00 0.00 -6.40 3.49 6.56 -2.00 -3.46 116.57 114.75 1m5o h LYS 20 Ca 0.00 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 59.05 1m5o h LYS 20 Cb 0.23 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.89 1m5o h LYS 20 CO 0.00 0.11 0.77 0.42 -2.06 0.00 0.00 179.45 178.70 1m5o s ILE 21 N -3.16 3.75 0.57 1.86 -1.09 -1.15 -4.98 121.20 117.00 1m5o s ILE 21 Ca 0.06 1.17 -0.21 0.00 -2.23 0.00 0.00 60.65 59.44 1m5o s ILE 21 Cb 0.06 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1m5o s ILE 21 CO 0.69 0.02 1.33 -0.54 -1.23 0.00 0.00 174.94 175.22 1m5o s LYS 22 N 2.07 3.01 0.18 2.79 1.02 -1.26 -4.73 119.74 122.82 1m5o s LYS 22 Ca 0.62 2.17 -0.22 0.00 0.02 0.00 0.00 55.97 58.57 1m5o s LYS 22 Cb -0.31 -2.15 0.09 0.00 -0.52 0.00 0.00 37.83 34.94 1m5o s LYS 22 CO 0.27 -1.27 1.59 -0.22 -0.92 0.00 0.00 175.35 174.80 1m5o h LYS 23 N 1.24 -0.20 -0.34 1.68 3.64 -1.96 -0.50 116.57 120.13 1m5o h LYS 23 Ca -0.51 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 1m5o h LYS 23 Cb 1.31 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 33.12 1m5o h LYS 23 CO 0.56 -0.13 0.04 -0.44 -2.27 0.00 0.00 179.45 177.21 1m5o h ASP 24 N -0.21 -0.05 -0.43 4.20 3.32 -1.98 -1.07 116.42 120.20 1m5o h ASP 24 Ca 0.20 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 1m5o h ASP 24 Cb 0.54 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1m5o h ASP 24 CO -0.61 0.01 0.10 -0.08 -1.72 0.00 0.00 179.24 176.94 1m5o h GLU 25 N 0.15 0.69 -0.19 3.56 4.81 -1.81 -2.11 114.58 119.69 1m5o h GLU 25 Ca 0.16 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1m5o h GLU 25 Cb 0.20 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1m5o h GLU 25 CO -0.24 0.71 0.02 1.25 -0.73 0.00 0.00 179.01 180.02 1m5o h LEU 26 N 0.56 -0.03 -1.02 1.64 5.85 -0.79 -0.99 115.31 120.53 1m5o h LEU 26 Ca 0.13 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1m5o h LEU 26 Cb 0.33 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1m5o h LEU 26 CO 0.00 0.01 0.42 0.11 -0.34 0.00 0.00 178.44 178.64 1m5o h LYS 27 N 0.09 1.11 -0.09 1.25 1.57 -1.12 0.39 116.57 119.76 1m5o h LYS 27 Ca 0.09 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1m5o h LYS 27 Cb 0.10 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1m5o h LYS 27 CO -0.13 0.83 0.00 -0.22 -0.57 0.00 0.00 179.45 179.35 1m5o h LYS 28 N 1.11 0.16 -0.48 3.15 3.64 -1.01 0.15 116.57 123.30 1m5o h LYS 28 Ca 0.28 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1m5o h LYS 28 Cb 0.05 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1m5o h LYS 28 CO -0.04 0.42 0.25 0.77 -2.27 0.00 0.00 179.45 178.57 1m5o h SER 29 N -0.11 0.61 -0.48 4.20 0.02 -0.93 0.12 113.55 116.98 1m5o h SER 29 Ca 0.03 -0.11 0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1m5o h SER 29 Cb 0.34 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 1m5o h SER 29 CO 0.00 0.55 0.23 -0.07 -1.14 0.00 0.00 176.83 176.40 1m5o h LEU 30 N 0.63 0.32 -0.80 5.07 3.38 -0.84 -0.57 115.31 122.51 1m5o h LEU 30 Ca 0.17 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1m5o h LEU 30 Cb 0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1m5o h LEU 30 CO -0.02 0.22 0.48 -0.74 0.09 0.00 0.00 178.44 178.46 1m5o h HIS 31 N 0.45 1.06 -0.46 1.13 2.76 -0.41 -1.84 115.15 117.84 1m5o h HIS 31 Ca 0.22 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1m5o h HIS 31 Cb 0.15 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 1m5o h HIS 31 CO -0.11 0.71 0.17 0.00 -1.30 0.00 0.00 177.93 177.40 1m5o h ALA 32 N 1.25 1.43 0.00 5.26 0.00 0.10 -1.56 119.26 125.75 1m5o h ALA 32 Ca 0.29 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 1m5o h ALA 32 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1m5o h ALA 32 CO -0.05 0.43 -1.09 0.82 0.00 0.00 0.00 179.25 179.35 1m5o h ILE 33 N 0.66 1.28 -0.00 0.00 5.03 -0.77 -3.36 117.51 120.35 1m5o h ILE 33 Ca 0.16 -2.94 0.00 0.00 -0.12 0.00 0.00 64.86 61.95 1m5o h ILE 33 Cb 0.16 2.62 0.00 0.00 -3.03 0.00 0.00 36.82 36.56 1m5o h ILE 33 CO -0.01 0.73 -0.97 0.49 -0.68 0.00 0.00 178.15 177.71 1m5o n PHE 34 N -3.23 0.00 -0.31 1.37 3.72 -0.73 -4.53 117.46 113.76 1m5o n PHE 34 Ca -0.04 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.49 1m5o n PHE 34 Cb 0.92 0.00 0.30 0.00 -0.94 0.00 0.00 39.48 39.76 1m5o n PHE 34 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1m5o h SER 35 N 0.09 0.44 0.16 4.37 0.02 -1.44 -1.97 113.55 115.21 1m5o h SER 35 Ca 0.00 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1m5o h SER 35 Cb 0.51 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1m5o h SER 35 CO 0.00 0.07 -0.03 0.08 -1.14 0.00 0.00 176.83 175.80 1m5o h ARG 36 N 0.48 0.00 0.00 3.45 0.11 -1.84 -2.75 114.38 113.83 1m5o h ARG 36 Ca 0.55 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.63 1m5o h ARG 36 Cb 1.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.08 1m5o h ARG 36 CO -0.48 0.03 0.00 0.74 0.10 0.00 0.00 179.97 180.36 1m5o h PHE 37 N 0.00 0.00 0.00 4.08 0.04 -1.68 -3.49 116.94 115.89 1m5o h PHE 37 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1m5o h PHE 37 Cb 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1m5o h PHE 37 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1m5o n GLY 38 N 1.08 0.98 3.74 -1.45 0.00 -1.04 -4.54 105.19 103.96 1m5o n GLY 38 Ca 0.04 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.84 4.27 -0.29 1.61 0.74 -1.26 -4.66 119.66 118.23 1m5o s GLN 39 Ca 0.00 2.27 -0.11 0.00 0.05 0.00 0.00 55.36 57.57 1m5o s GLN 39 Cb 0.00 -3.14 -0.04 0.00 1.10 0.00 0.00 33.01 30.93 1m5o s GLN 39 CO 0.00 -0.44 0.19 0.42 -0.55 0.00 0.00 175.29 174.91 1m5o s ILE 40 N 0.35 5.21 0.12 -2.34 1.01 -1.26 -1.55 121.20 122.75 1m5o s ILE 40 Ca 0.62 0.05 -0.04 0.00 0.00 0.00 0.00 60.65 61.28 1m5o s ILE 40 Cb -0.41 -3.52 -0.19 0.00 0.01 0.00 0.00 42.46 38.34 1m5o s ILE 40 CO 0.39 0.20 1.29 -0.07 0.00 0.00 0.00 174.94 176.75 1m5o h LEU 41 N 8.38 0.51 -7.24 2.97 3.38 -1.03 -3.48 115.31 118.82 1m5o h LEU 41 Ca -0.34 -0.42 0.18 0.00 0.09 0.00 0.00 57.88 57.38 1m5o h LEU 41 Cb 1.18 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.64 1m5o h LEU 41 CO 0.57 1.23 0.57 -0.62 0.09 0.00 0.00 178.44 180.28 1m5o s ASP 42 N -7.08 -0.24 -0.05 -0.43 -1.08 -1.21 -5.03 116.67 101.55 1m5o s ASP 42 Ca -0.06 -0.14 -0.01 0.00 -0.52 0.00 0.00 52.55 51.82 1m5o s ASP 42 Cb 0.09 0.36 0.03 0.00 -1.46 0.00 0.00 42.92 41.93 1m5o s ASP 42 CO 0.87 -0.62 0.01 -0.63 0.52 0.00 0.00 175.17 175.32 1m5o s ILE 43 N -3.00 0.20 -0.10 4.11 1.01 -1.26 -0.96 121.20 121.19 1m5o s ILE 43 Ca 0.09 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.90 1m5o s ILE 43 Cb -0.00 -0.35 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 1m5o s ILE 43 CO -0.04 0.19 -0.11 -0.76 0.00 0.00 0.00 174.94 174.22 1m5o s LEU 44 N 1.58 2.89 -0.13 2.97 1.43 0.36 -4.97 118.68 122.80 1m5o s LEU 44 Ca -0.02 -0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 52.80 1m5o s LEU 44 Cb -0.13 -1.64 0.05 0.00 0.03 0.00 0.00 46.19 44.50 1m5o s LEU 44 CO -0.03 0.25 0.31 -0.69 0.23 0.00 0.00 176.35 176.42 1m5o s VAL 45 N -0.13 -0.03 0.03 -1.59 1.01 -1.26 -1.69 120.40 116.74 1m5o s VAL 45 Ca -0.00 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1m5o s VAL 45 Cb -0.13 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1m5o s VAL 45 CO 0.03 0.05 -0.08 -0.55 0.00 0.00 0.00 175.10 174.55 1m5o s SER 46 N 1.24 0.95 -0.17 3.32 0.15 -1.26 -5.03 113.70 112.89 1m5o s SER 46 Ca -0.09 -0.44 0.16 0.00 0.70 0.00 0.00 55.95 56.28 1m5o s SER 46 Cb -0.09 -0.01 0.68 0.00 -1.71 0.00 0.00 66.02 64.89 1m5o s SER 46 CO -0.10 -0.11 1.59 0.54 1.20 0.00 0.00 173.24 176.37 1m5o n ARG 47 N 1.84 3.89 -0.95 5.44 1.74 -1.26 -2.70 116.66 124.67 1m5o n ARG 47 Ca -0.20 -2.93 -0.29 0.00 -0.77 0.00 0.00 57.85 53.66 1m5o n ARG 47 Cb 0.55 -1.98 0.19 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.18 2.26 0.22 0.55 1.04 -1.26 -4.54 113.70 110.79 1m5o s SER 48 Ca 0.48 1.41 -0.09 0.00 0.48 0.00 0.00 55.95 58.23 1m5o s SER 48 Cb 0.35 -2.10 0.34 0.00 0.10 0.00 0.00 66.02 64.71 1m5o s SER 48 CO 0.16 -3.39 1.67 0.25 0.98 0.00 0.00 173.24 172.91 1m5o h LEU 49 N -2.07 -0.22 0.00 2.42 5.85 -1.97 -1.00 115.31 118.32 1m5o h LEU 49 Ca -0.55 0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.23 1m5o h LEU 49 Cb 1.32 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 1m5o h LEU 49 CO 0.54 -0.10 -0.89 0.11 -0.34 0.00 0.00 178.44 177.76 1m5o h LYS 50 N 0.15 0.00 0.00 1.25 1.79 -1.96 -3.38 116.57 114.42 1m5o h LYS 50 Ca 0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 1m5o h LYS 50 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1m5o h LYS 50 CO -0.53 0.24 -1.56 -1.33 -1.08 0.00 0.00 179.45 175.19 1m5o n MET 51 N -2.96 0.49 -1.61 3.15 2.81 -1.08 -4.99 117.12 112.93 1m5o n MET 51 Ca -0.02 -0.11 -0.38 0.00 -1.81 0.00 0.00 57.70 55.37 1m5o n MET 51 Cb 0.70 -1.48 0.05 0.00 -0.71 0.00 0.00 33.22 31.78 1m5o n MET 51 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1m5o n ARG 52 N -1.93 0.94 -0.99 0.03 1.85 -0.40 -2.07 116.66 114.10 1m5o n ARG 52 Ca -0.01 0.36 0.00 0.00 -1.00 0.00 0.00 57.85 57.20 1m5o n ARG 52 Cb 0.45 -2.15 0.00 0.00 -1.05 0.00 0.00 32.46 29.72 1m5o n ARG 52 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1m5o n GLY 53 N 1.28 0.78 3.22 2.89 0.00 -1.26 -4.99 105.19 107.11 1m5o n GLY 53 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.05 0.98 -0.06 1.61 -0.21 -0.88 -2.00 119.66 119.04 1m5o s GLN 54 Ca 0.00 -1.40 -0.20 0.00 0.02 0.00 0.00 55.36 53.77 1m5o s GLN 54 Cb 0.00 -0.48 0.04 0.00 1.00 0.00 0.00 33.01 33.58 1m5o s GLN 54 CO 0.00 0.04 0.46 0.00 -2.12 0.00 0.00 175.29 173.68 1m5o s ALA 55 N -3.40 -1.18 -0.24 6.09 0.00 -0.08 -4.51 121.76 118.43 1m5o s ALA 55 Ca 0.15 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.94 1m5o s ALA 55 Cb 0.03 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.07 1m5o s ALA 55 CO -0.01 -0.29 -0.09 -0.06 0.00 0.00 0.00 175.76 175.31 1m5o s PHE 56 N -0.99 3.06 -0.38 0.00 0.40 -0.68 -0.89 117.98 118.51 1m5o s PHE 56 Ca -0.10 -1.69 -0.10 0.00 -0.60 0.00 0.00 56.93 54.43 1m5o s PHE 56 Cb -0.03 -2.02 0.04 0.00 0.51 0.00 0.00 43.02 41.52 1m5o s PHE 56 CO 0.05 -0.76 0.21 0.08 0.70 0.00 0.00 175.22 175.50 1m5o s VAL 57 N 1.28 4.43 -0.34 -0.44 1.01 -0.97 -0.49 120.40 124.89 1m5o s VAL 57 Ca -0.01 -1.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 1m5o s VAL 57 Cb -0.17 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 1m5o s VAL 57 CO -0.06 -0.28 0.58 -0.63 0.00 0.00 0.00 175.10 174.71 1m5o s ILE 58 N 1.51 4.96 0.22 2.22 1.01 -0.14 -2.06 121.20 128.92 1m5o s ILE 58 Ca 0.02 0.54 -0.06 0.00 0.00 0.00 0.00 60.65 61.14 1m5o s ILE 58 Cb -0.20 -4.01 -0.06 0.00 0.01 0.00 0.00 42.46 38.20 1m5o s ILE 58 CO 0.05 -0.23 0.50 -0.36 0.00 0.00 0.00 174.94 174.90 1m5o s PHE 59 N 2.55 3.46 0.25 3.97 0.08 -0.36 -0.39 117.98 127.53 1m5o s PHE 59 Ca 0.22 0.69 0.02 0.00 0.12 0.00 0.00 56.93 57.99 1m5o s PHE 59 Cb -0.15 -2.13 0.30 0.00 -0.57 0.00 0.00 43.02 40.48 1m5o s PHE 59 CO 0.13 0.29 1.62 -0.22 -0.10 0.00 0.00 175.22 176.94 1m5o h LYS 60 N 2.33 0.39 -5.21 0.44 3.64 -1.57 -3.44 116.57 113.15 1m5o h LYS 60 Ca -0.47 -0.21 -0.62 0.00 -1.27 0.00 0.00 60.65 58.09 1m5o h LYS 60 Cb 1.18 0.01 -0.33 0.00 -0.41 0.00 0.00 32.23 32.68 1m5o h LYS 60 CO 0.69 0.77 -0.86 -1.21 -2.27 0.00 0.00 179.45 176.57 1m5o s GLU 61 N -4.10 2.43 0.29 1.90 0.41 -1.26 -5.03 118.70 113.33 1m5o s GLU 61 Ca -0.06 -0.72 0.03 0.00 -0.41 0.00 0.00 54.97 53.82 1m5o s GLU 61 Cb 0.13 -1.92 0.65 0.00 -1.78 0.00 0.00 34.13 31.20 1m5o s GLU 61 CO 0.80 0.17 1.79 0.28 -0.49 0.00 0.00 175.26 177.82 1m5o h VAL 62 N 5.62 0.78 -0.56 2.63 2.07 -1.85 0.42 116.25 125.36 1m5o h VAL 62 Ca -0.26 -0.28 0.12 0.00 0.82 0.00 0.00 66.70 67.10 1m5o h VAL 62 Cb 1.21 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1m5o h VAL 62 CO 0.47 0.15 0.38 0.77 0.02 0.00 0.00 177.57 179.37 1m5o h SER 63 N 0.82 0.23 0.01 0.57 4.64 -1.96 -0.70 113.55 117.17 1m5o h SER 63 Ca 0.54 0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.65 1m5o h SER 63 Cb 0.73 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1m5o h SER 63 CO -0.34 0.13 -0.77 0.28 -0.87 0.00 0.00 176.83 175.26 1m5o h SER 64 N 0.25 0.77 -0.61 4.97 0.02 -1.15 -2.14 113.55 115.66 1m5o h SER 64 Ca 0.26 -0.51 0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1m5o h SER 64 Cb 0.70 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 1m5o h SER 64 CO -0.05 1.29 0.39 0.00 -1.14 0.00 0.00 176.83 177.31 1m5o h ALA 65 N 0.70 0.79 -0.01 3.77 0.00 -1.00 -1.37 119.26 122.14 1m5o h ALA 65 Ca -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1m5o h ALA 65 Cb 1.38 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1m5o h ALA 65 CO 0.15 0.15 0.00 1.15 0.00 0.00 0.00 179.25 180.70 1m5o h THR 66 N 0.77 1.16 -0.53 0.00 2.02 -1.20 -0.64 112.91 114.48 1m5o h THR 66 Ca 0.24 -0.46 -0.07 0.00 0.77 0.00 0.00 66.41 66.89 1m5o h THR 66 Cb -0.01 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1m5o h THR 66 CO -0.09 0.12 0.05 0.78 0.37 0.00 0.00 175.52 176.75 1m5o h ASN 67 N -0.17 0.83 -0.62 4.18 2.35 -1.29 -1.56 115.58 119.30 1m5o h ASN 67 Ca 0.00 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.51 1m5o h ASN 67 Cb 0.19 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1m5o h ASN 67 CO -0.00 0.87 0.20 0.00 -1.65 0.00 0.00 177.43 176.84 1m5o h ALA 68 N 1.23 0.81 -0.17 -0.83 0.00 -1.17 -0.44 119.26 118.68 1m5o h ALA 68 Ca 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1m5o h ALA 68 Cb 0.42 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1m5o h ALA 68 CO 0.01 0.48 0.02 1.25 0.00 0.00 0.00 179.25 181.01 1m5o h LEU 69 N 0.88 0.27 -0.23 0.00 6.46 -0.80 -1.35 115.31 120.55 1m5o h LEU 69 Ca 0.20 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 1m5o h LEU 69 Cb 0.29 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1m5o h LEU 69 CO -0.01 0.47 0.05 0.03 -0.62 0.00 0.00 178.44 178.37 1m5o h ARG 70 N 0.06 0.37 -0.08 1.25 3.08 -1.17 -2.50 114.38 115.38 1m5o h ARG 70 Ca 0.05 -0.09 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 1m5o h ARG 70 Cb 0.32 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1m5o h ARG 70 CO 0.00 0.48 -0.62 0.77 -1.07 0.00 0.00 179.97 179.54 1m5o h SER 71 N 0.18 0.34 -0.32 7.04 0.02 -1.11 -3.31 113.55 116.40 1m5o h SER 71 Ca 0.07 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1m5o h SER 71 Cb 0.29 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1m5o h SER 71 CO 0.00 0.87 0.00 0.23 -1.14 0.00 0.00 176.83 176.79 1m5o n MET 72 N -3.87 2.48 -1.68 3.45 2.81 -0.51 -4.89 117.12 114.91 1m5o n MET 72 Ca -0.03 -2.23 -0.43 0.00 -1.81 0.00 0.00 57.70 53.20 1m5o n MET 72 Cb 0.63 -1.51 -0.03 0.00 -0.71 0.00 0.00 33.22 31.60 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 1.48 2.70 -0.98 0.03 -0.06 -0.94 -1.33 117.38 118.27 1m5o n GLN 73 Ca 0.18 0.98 0.00 0.00 -2.00 0.00 0.00 57.00 56.17 1m5o n GLN 73 Cb 0.61 -2.87 0.00 0.00 -4.06 0.00 0.00 30.24 23.92 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 4.23 0.59 3.72 1.69 0.00 0.69 -4.95 105.19 111.16 1m5o n GLY 74 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.58 2.77 -2.09 1.61 -0.00 -0.44 -4.09 117.46 112.63 1m5o n PHE 75 Ca 0.00 0.03 -0.43 0.00 -0.00 0.00 0.00 57.45 57.06 1m5o n PHE 75 Cb 0.04 -2.68 -0.03 0.00 -0.00 0.00 0.00 39.48 36.82 1m5o n PHE 75 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1m5o s PRO 76 N 1.16 3.69 -0.20 -7.13 0.04 -1.26 -1.26 135.00 130.03 1m5o s PRO 76 Ca 0.75 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1m5o s PRO 76 Cb -0.50 -4.08 0.05 0.00 0.04 0.00 0.00 34.50 30.01 1m5o s PRO 76 CO 0.32 -1.43 -0.05 0.12 0.04 0.00 0.00 177.00 176.00 1m5o s PHE 77 N 5.59 2.07 -1.38 0.56 5.36 -0.08 -4.73 117.98 125.37 1m5o s PHE 77 Ca 0.73 -1.44 -0.05 0.00 -0.96 0.00 0.00 56.93 55.21 1m5o s PHE 77 Cb -0.24 -1.46 0.03 0.00 -0.34 0.00 0.00 43.02 41.00 1m5o s PHE 77 CO 0.31 -0.71 0.82 0.66 -1.46 0.00 0.00 175.22 174.84 1m5o n TYR 78 N 4.77 -2.09 -1.16 10.12 4.01 -1.26 -2.16 117.16 129.39 1m5o n TYR 78 Ca -0.12 0.87 -0.06 0.00 -0.16 0.00 0.00 57.90 58.44 1m5o n TYR 78 Cb 0.46 -4.32 -0.02 0.00 -0.31 0.00 0.00 39.34 35.15 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 -2.99 -4.54 -3.89 7.72 9.92 -1.26 -4.73 116.55 116.78 1m5o n ASP 79 Ca -0.18 0.14 -0.16 0.00 -0.53 0.00 0.00 54.79 54.05 1m5o n ASP 79 Cb 0.63 -2.53 -0.15 0.00 -0.64 0.00 0.00 41.12 38.43 1m5o n ASP 79 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1m5o s LYS 80 N -2.00 0.40 -0.06 -1.24 1.02 -0.92 -5.09 119.74 111.85 1m5o s LYS 80 Ca 0.00 -0.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 1m5o s LYS 80 Cb 0.00 -0.45 -0.05 0.00 -0.52 0.00 0.00 37.83 36.81 1m5o s LYS 80 CO 0.00 -0.01 1.45 -1.25 -0.92 0.00 0.00 175.35 174.62 1m5o s PRO 81 N 0.44 4.23 0.19 -1.68 0.04 -1.26 -0.90 135.00 136.06 1m5o s PRO 81 Ca -0.05 1.97 -0.31 0.00 0.04 0.00 0.00 61.00 62.66 1m5o s PRO 81 Cb -0.08 -3.76 -0.09 0.00 0.04 0.00 0.00 34.50 30.61 1m5o s PRO 81 CO -0.01 -0.70 1.44 -1.64 0.04 0.00 0.00 177.00 176.13 1m5o s MET 82 N 3.23 4.28 -0.15 4.56 -1.94 -0.39 -4.82 119.30 124.08 1m5o s MET 82 Ca 0.65 2.23 -0.04 0.00 -1.71 0.00 0.00 55.69 56.81 1m5o s MET 82 Cb -0.30 -3.16 -0.03 0.00 2.01 0.00 0.00 34.83 33.35 1m5o s MET 82 CO 0.25 -0.44 0.01 0.50 -0.01 0.00 0.00 175.02 175.32 1m5o s ARG 83 N 0.33 3.61 -0.02 2.03 3.52 -0.92 -0.22 118.95 127.28 1m5o s ARG 83 Ca 0.63 -0.43 0.02 0.00 -0.13 0.00 0.00 55.73 55.82 1m5o s ARG 83 Cb -0.40 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1m5o s ARG 83 CO 0.37 0.37 -0.09 0.42 -0.81 0.00 0.00 175.30 175.56 1m5o s ILE 84 N 0.05 0.74 0.13 4.11 1.01 -1.26 -1.18 121.20 124.80 1m5o s ILE 84 Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 1m5o s ILE 84 Cb -0.13 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1m5o s ILE 84 CO 0.02 0.23 0.05 -1.10 0.00 0.00 0.00 174.94 174.14 1m5o s GLN 85 N 0.14 0.92 0.52 2.79 -0.21 -0.28 -4.98 119.66 118.56 1m5o s GLN 85 Ca -0.02 -1.43 -0.18 0.00 0.02 0.00 0.00 55.36 53.74 1m5o s GLN 85 Cb -0.08 0.23 -0.07 0.00 1.00 0.00 0.00 33.01 34.09 1m5o s GLN 85 CO 0.00 -0.25 1.03 0.71 -2.12 0.00 0.00 175.29 174.66 1m5o s TYR 86 N -4.03 3.08 0.49 0.91 2.02 -1.26 0.64 117.35 119.19 1m5o s TYR 86 Ca 0.23 1.54 -0.21 0.00 -0.37 0.00 0.00 57.07 58.27 1m5o s TYR 86 Cb 0.07 -2.99 -0.08 0.00 -0.40 0.00 0.00 41.96 38.56 1m5o s TYR 86 CO 0.01 -0.81 1.08 0.00 -1.57 0.00 0.00 175.55 174.26 1m5o s ALA 87 N -2.24 2.84 0.36 3.71 0.00 -0.31 -4.48 121.76 121.63 1m5o s ALA 87 Ca 0.65 0.72 0.06 0.00 0.00 0.00 0.00 51.96 53.39 1m5o s ALA 87 Cb -0.15 -3.30 0.67 0.00 0.00 0.00 0.00 23.12 20.34 1m5o s ALA 87 CO 0.27 -0.49 1.89 0.87 0.00 0.00 0.00 175.76 178.30 1m5o h LYS 88 N 1.57 0.42 -4.82 0.00 1.57 -1.94 -3.46 116.57 109.92 1m5o h LYS 88 Ca -0.50 -0.09 -0.29 0.00 -1.87 0.00 0.00 60.65 57.90 1m5o h LYS 88 Cb 1.24 -0.06 -0.15 0.00 0.08 0.00 0.00 32.23 33.34 1m5o h LYS 88 CO 0.59 0.49 -0.66 0.95 -0.57 0.00 0.00 179.45 180.24 1m5o s THR 89 N -4.89 0.68 0.48 -0.16 -4.23 -1.26 -5.00 115.64 101.26 1m5o s THR 89 Ca -0.07 -1.98 -0.23 0.00 -1.18 0.00 0.00 61.69 58.23 1m5o s THR 89 Cb 0.15 -2.16 -0.07 0.00 1.34 0.00 0.00 72.50 71.77 1m5o s THR 89 CO 0.75 -0.44 1.22 -1.81 -0.54 0.00 0.00 174.62 173.81 1m5o s ASP 90 N -3.19 5.92 0.52 3.99 1.01 -1.26 -4.94 116.67 118.73 1m5o s ASP 90 Ca 0.25 2.44 -0.18 0.00 0.71 0.00 0.00 52.55 55.77 1m5o s ASP 90 Cb 0.06 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.31 1m5o s ASP 90 CO 0.05 -1.10 1.02 -0.44 0.21 0.00 0.00 175.17 174.91 1m5o s SER 91 N -1.23 6.28 0.20 0.27 0.01 -1.26 -4.80 113.70 113.17 1m5o s SER 91 Ca 0.66 1.79 -0.15 0.00 1.31 0.00 0.00 55.95 59.55 1m5o s SER 91 Cb -0.32 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 63.56 1m5o s SER 91 CO 0.39 -0.82 1.63 0.44 0.41 0.00 0.00 173.24 175.28 1m5o h ASP 92 N 1.09 -0.64 -0.47 2.44 3.32 -1.98 -0.90 116.42 119.27 1m5o h ASP 92 Ca -0.48 0.18 0.09 0.00 0.02 0.00 0.00 57.03 56.84 1m5o h ASP 92 Cb 1.21 0.39 -0.03 0.00 0.22 0.00 0.00 39.33 41.13 1m5o h ASP 92 CO 0.59 -0.22 0.32 0.16 -1.72 0.00 0.00 179.24 178.38 1m5o h ILE 93 N -0.04 0.88 0.19 0.35 3.07 -1.96 0.42 117.51 120.41 1m5o h ILE 93 Ca 0.27 -0.08 -0.32 0.00 1.55 0.00 0.00 64.86 66.28 1m5o h ILE 93 Cb 0.45 0.62 0.03 0.00 -0.27 0.00 0.00 36.82 37.66 1m5o h ILE 93 CO -0.60 0.04 -1.36 0.40 -1.05 0.00 0.00 178.15 175.58 1m5o h ILE 94 N 0.24 1.28 -0.18 0.16 1.08 -1.60 -3.07 117.51 115.42 1m5o h ILE 94 Ca 0.22 -2.58 -0.05 0.00 -0.39 0.00 0.00 64.86 62.06 1m5o h ILE 94 Cb 0.55 2.86 -0.00 0.00 -3.07 0.00 0.00 36.82 37.15 1m5o h ILE 94 CO -0.04 0.78 -0.09 0.00 -0.69 0.00 0.00 178.15 178.11 1m5o h ALA 95 N 0.23 0.26 0.00 1.87 0.00 -0.14 -2.80 119.26 118.67 1m5o h ALA 95 Ca -0.22 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1m5o h ALA 95 Cb 2.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1m5o h ALA 95 CO 0.26 0.08 0.00 1.63 0.00 0.00 0.00 179.25 181.22 1m5o n LYS 96 N -4.59 0.55 0.00 0.00 4.01 0.14 -5.09 118.16 113.18 1m5o n LYS 96 Ca -0.05 0.03 0.15 0.00 -0.51 0.00 0.00 58.31 57.93 1m5o n LYS 96 Cb 0.32 -1.50 0.91 0.00 -0.51 0.00 0.00 35.03 34.24 1m5o n LYS 96 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17