#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ftr s LYS 9 N 0.00 0.23 -0.13 5.55 -2.85 -0.25 -0.98 119.74 121.30 2ftr s LYS 9 Ca 0.00 -0.15 -0.17 0.00 -1.00 0.00 0.00 55.97 54.65 2ftr s LYS 9 Cb 0.00 0.09 -0.04 0.00 -2.06 0.00 0.00 37.83 35.82 2ftr s LYS 9 CO 0.00 -0.04 0.42 -1.17 0.10 0.00 0.00 175.35 174.66 2ftr s LEU 10 N -0.59 4.27 -0.17 2.77 2.96 -1.26 -0.45 118.68 126.22 2ftr s LEU 10 Ca -0.07 0.73 -0.00 0.00 -0.22 0.00 0.00 54.13 54.57 2ftr s LEU 10 Cb -0.04 -2.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.05 2ftr s LEU 10 CO 0.00 0.04 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.30 2ftr s ILE 11 N 0.53 2.72 -0.21 6.68 1.01 -1.26 -4.31 121.20 126.36 2ftr s ILE 11 Ca 0.23 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 2ftr s ILE 11 Cb -0.15 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 2ftr s ILE 11 CO 0.08 0.50 0.00 0.00 0.00 0.00 0.00 174.94 175.53 2ftr s ALA 12 N 0.97 3.02 -0.13 9.38 0.00 0.02 -4.20 121.76 130.81 2ftr s ALA 12 Ca -0.02 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.95 2ftr s ALA 12 Cb -0.15 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.19 2ftr s ALA 12 CO -0.02 -0.20 -0.22 -1.17 0.00 0.00 0.00 175.76 174.14 2ftr s LEU 13 N 1.09 2.11 -0.13 0.00 2.96 -0.18 -0.47 118.68 124.06 2ftr s LEU 13 Ca 0.02 -0.59 -0.00 0.00 -0.22 0.00 0.00 54.13 53.34 2ftr s LEU 13 Cb -0.14 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 2ftr s LEU 13 CO 0.01 0.10 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.71 2ftr s TYR 14 N 0.68 2.82 1.01 5.38 1.51 0.40 -0.93 117.35 128.22 2ftr s TYR 14 Ca -0.10 -0.63 -0.15 0.00 -1.01 0.00 0.00 57.07 55.18 2ftr s TYR 14 Cb -0.16 -1.85 0.19 0.00 -0.11 0.00 0.00 41.96 40.03 2ftr s TYR 14 CO 0.01 -0.21 1.17 -1.21 -1.11 0.00 0.00 175.55 174.20 2ftr s GLU 15 N 0.36 0.36 0.09 -0.62 2.02 -0.01 -0.43 118.70 120.47 2ftr s GLU 15 Ca -0.10 0.05 -0.31 0.00 0.02 0.00 0.00 54.97 54.63 2ftr s GLU 15 Cb -0.16 -1.77 -0.09 0.00 0.10 0.00 0.00 34.13 32.21 2ftr s GLU 15 CO 0.05 -2.68 1.71 -0.65 0.02 0.00 0.00 175.26 173.72 2ftr s GLN 16 N -5.43 4.18 0.51 1.61 -1.52 -0.93 -4.38 119.66 113.68 2ftr s GLN 16 Ca 0.68 2.42 -0.15 0.00 -1.95 0.00 0.00 55.36 56.36 2ftr s GLN 16 Cb -0.11 -3.59 -0.07 0.00 -0.22 0.00 0.00 33.01 29.02 2ftr s GLN 16 CO 0.54 -0.77 0.96 -1.25 -0.25 0.00 0.00 175.29 174.53 2ftr s PRO 17 N 2.65 3.91 0.27 2.91 0.04 -1.26 -4.98 135.00 138.53 2ftr s PRO 17 Ca 0.76 0.89 0.04 0.00 0.04 0.00 0.00 61.00 62.73 2ftr s PRO 17 Cb -0.42 -2.16 0.36 0.00 0.04 0.00 0.00 34.50 32.32 2ftr s PRO 17 CO 0.34 -0.27 1.65 1.05 0.04 0.00 0.00 177.00 179.81 2ftr h GLU 18 N 0.87 0.32 -4.43 4.56 9.09 -2.01 -3.38 114.58 119.59 2ftr h GLU 18 Ca -0.47 -0.16 -0.64 0.00 0.05 0.00 0.00 59.36 58.14 2ftr h GLU 18 Cb 1.19 0.00 -0.40 0.00 -1.65 0.00 0.00 28.75 27.89 2ftr h GLU 18 CO 0.62 0.70 -0.73 0.34 0.05 0.00 0.00 179.01 179.99 2ftr s ASP 19 N -6.87 4.57 0.21 3.06 -1.08 -1.26 -5.00 116.67 110.30 2ftr s ASP 19 Ca -0.05 -1.99 -0.05 0.00 -0.52 0.00 0.00 52.55 49.94 2ftr s ASP 19 Cb 0.13 -1.44 0.18 0.00 -1.46 0.00 0.00 42.92 40.33 2ftr s ASP 19 CO 0.79 -0.38 1.66 0.11 0.52 0.00 0.00 175.17 177.87 2ftr h LYS 20 N 7.73 0.86 -0.52 4.34 1.57 -2.00 -1.35 116.57 127.21 2ftr h LYS 20 Ca -0.07 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 2ftr h LYS 20 Cb 1.02 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 2ftr h LYS 20 CO 0.50 0.94 0.30 0.37 -0.57 0.00 0.00 179.45 180.99 2ftr h GLN 21 N 0.77 0.71 -0.37 3.15 5.75 -1.97 0.70 115.11 123.85 2ftr h GLN 21 Ca 0.12 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.48 2ftr h GLN 21 Cb 0.64 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 2ftr h GLN 21 CO 0.04 0.53 -0.05 0.00 -2.65 0.00 0.00 178.83 176.70 2ftr h ALA 22 N 1.14 0.50 0.01 3.38 0.00 -1.95 -0.04 119.26 122.30 2ftr h ALA 22 Ca 0.19 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2ftr h ALA 22 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2ftr h ALA 22 CO -0.03 0.32 -0.11 0.35 0.00 0.00 0.00 179.25 179.78 2ftr h PHE 23 N 0.49 -0.28 -0.46 0.00 3.04 -1.05 -1.34 116.94 117.34 2ftr h PHE 23 Ca 0.10 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.08 2ftr h PHE 23 Cb 0.54 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.15 2ftr h PHE 23 CO 0.04 -0.17 0.28 -0.44 -2.02 0.00 0.00 178.31 176.01 2ftr h ASP 24 N -0.19 0.46 -0.08 0.41 3.32 -0.71 0.27 116.42 119.91 2ftr h ASP 24 Ca 0.04 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2ftr h ASP 24 Cb 0.24 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 2ftr h ASP 24 CO -0.11 0.33 -0.51 -0.08 -1.72 0.00 0.00 179.24 177.16 2ftr h GLU 25 N 0.57 -0.58 -0.34 3.56 4.22 -0.83 -0.58 114.58 120.60 2ftr h GLU 25 Ca 0.18 0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.63 2ftr h GLU 25 Cb -0.00 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2ftr h GLU 25 CO -0.08 -0.38 0.07 1.25 -2.18 0.00 0.00 179.01 177.69 2ftr h HIS 26 N -0.60 0.58 0.29 0.92 2.76 -1.01 -1.14 115.15 116.95 2ftr h HIS 26 Ca 0.04 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 2ftr h HIS 26 Cb 0.69 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.49 2ftr h HIS 26 CO -0.53 0.60 -0.14 -0.92 -1.30 0.00 0.00 177.93 175.64 2ftr h TYR 27 N 0.39 -0.36 0.06 5.26 3.20 -0.30 0.74 116.97 125.96 2ftr h TYR 27 Ca 0.11 -0.01 -0.24 0.00 3.14 0.00 0.00 58.73 61.73 2ftr h TYR 27 Cb 0.32 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 2ftr h TYR 27 CO 0.02 -0.12 -1.10 0.74 -1.64 0.00 0.00 178.16 176.05 2ftr h PHE 28 N -0.53 0.24 0.00 -3.82 0.04 -1.15 0.19 116.94 111.90 2ftr h PHE 28 Ca -0.04 -0.17 -0.18 0.00 2.80 0.00 0.00 57.97 60.38 2ftr h PHE 28 Cb 0.39 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 2ftr h PHE 28 CO -0.02 1.12 -1.52 0.09 -0.60 0.00 0.00 178.31 177.38 2ftr n ASN 29 N -3.45 0.76 0.00 2.17 3.02 -0.43 -4.48 115.26 112.85 2ftr n ASN 29 Ca -0.04 0.33 -0.03 0.00 -0.03 0.00 0.00 54.58 54.81 2ftr n ASN 29 Cb 0.97 0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 40.43 2ftr n ASN 29 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2ftr n THR 30 N -2.85 0.65 0.00 3.41 -1.04 -0.49 -4.75 114.28 109.21 2ftr n THR 30 Ca -0.11 0.12 -0.13 0.00 -2.04 0.00 0.00 64.05 61.89 2ftr n THR 30 Cb 0.86 -1.61 -0.10 0.00 -1.82 0.00 0.00 70.33 67.66 2ftr n THR 30 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2ftr h HIS 31 N -0.14 -0.03 -0.51 -1.42 -0.00 -0.57 -2.61 115.15 109.86 2ftr h HIS 31 Ca -0.06 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.30 2ftr h HIS 31 Cb 0.70 0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.10 2ftr h HIS 31 CO -0.03 0.43 0.29 0.00 -0.00 0.00 0.00 177.93 178.62 2ftr h ALA 32 N 0.44 0.65 -0.95 5.26 0.00 -0.87 -0.97 119.26 122.83 2ftr h ALA 32 Ca -0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2ftr h ALA 32 Cb 0.48 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 2ftr h ALA 32 CO 0.01 0.16 0.62 -1.35 0.00 0.00 0.00 179.25 178.69 2ftr h PRO 33 N 0.68 1.10 -0.62 0.00 0.11 -1.78 -0.70 132.00 130.79 2ftr h PRO 33 Ca 0.18 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 66.24 2ftr h PRO 33 Cb 0.03 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 30.85 2ftr h PRO 33 CO -0.03 0.73 0.39 -0.07 -0.21 0.00 0.00 178.00 178.81 2ftr h LEU 34 N 1.13 0.66 -0.85 2.35 3.38 -0.96 -2.93 115.31 118.09 2ftr h LEU 34 Ca 0.40 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.25 2ftr h LEU 34 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2ftr h LEU 34 CO -0.14 0.47 -0.34 0.74 0.09 0.00 0.00 178.44 179.25 2ftr h THR 35 N 0.79 1.29 0.00 0.22 2.02 -0.53 -2.54 112.91 114.16 2ftr h THR 35 Ca 0.24 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.99 2ftr h THR 35 Cb -0.03 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2ftr h THR 35 CO -0.08 0.45 0.00 0.03 0.37 0.00 0.00 175.52 176.29 2ftr h ARG 36 N 0.38 0.00 -0.00 6.66 3.08 -0.96 -2.17 114.38 121.37 2ftr h ARG 36 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2ftr h ARG 36 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2ftr h ARG 36 CO 0.06 0.00 -0.13 1.63 -1.07 0.00 0.00 179.97 180.46 2ftr n LYS 37 N -2.53 0.49 -2.16 0.04 5.02 -0.96 -4.90 118.16 113.17 2ftr n LYS 37 Ca 0.00 -0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 55.71 2ftr n LYS 37 Cb 0.17 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 2ftr n LYS 37 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2ftr s ILE 38 N -2.62 3.74 0.30 -0.18 1.01 -0.82 -4.93 121.20 117.71 2ftr s ILE 38 Ca 0.25 0.99 -0.29 0.00 0.00 0.00 0.00 60.65 61.60 2ftr s ILE 38 Cb 0.20 -3.64 -0.13 0.00 0.01 0.00 0.00 42.46 38.90 2ftr s ILE 38 CO 0.51 -0.06 1.36 -2.65 0.00 0.00 0.00 174.94 174.11 2ftr n PRO 39 N 6.39 2.16 0.00 2.79 -0.02 -1.26 -2.20 135.00 142.86 2ftr n PRO 39 Ca 0.15 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2ftr n PRO 39 Cb 0.43 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2ftr n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ftr n GLY 40 N 1.38 1.86 3.69 -1.23 0.00 -1.26 -4.64 105.19 104.99 2ftr n GLY 40 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2ftr n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ftr s LEU 41 N 0.00 4.35 -0.17 0.99 2.96 -0.94 -4.60 118.68 121.28 2ftr s LEU 41 Ca 0.00 2.41 0.14 0.00 -0.22 0.00 0.00 54.13 56.46 2ftr s LEU 41 Cb 0.00 -3.56 -0.24 0.00 0.50 0.00 0.00 46.19 42.89 2ftr s LEU 41 CO 0.00 -0.87 0.19 0.54 -1.32 0.00 0.00 176.35 174.89 2ftr n ARG 42 N 5.74 0.68 -0.75 1.98 5.12 0.47 -5.04 116.66 124.87 2ftr n ARG 42 Ca 0.16 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.16 2ftr n ARG 42 Cb 0.41 -1.59 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 2ftr n ARG 42 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2ftr n ASP 43 N -2.89 0.00 -3.65 0.55 2.03 -1.23 -4.99 116.55 106.37 2ftr n ASP 43 Ca -0.30 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 54.33 2ftr n ASP 43 Cb 1.11 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.45 2ftr n ASP 43 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2ftr s LYS 45 N -1.04 0.19 -0.17 -0.67 1.02 0.02 -1.09 119.74 118.00 2ftr s LYS 45 Ca 0.00 0.33 -0.04 0.00 0.02 0.00 0.00 55.97 56.28 2ftr s LYS 45 Cb 0.00 0.04 -0.02 0.00 -0.52 0.00 0.00 37.83 37.33 2ftr s LYS 45 CO 0.00 -0.04 -0.04 0.08 -0.92 0.00 0.00 175.35 174.43 2ftr s VAL 46 N 1.14 3.76 -0.19 3.17 1.01 -1.26 -0.69 120.40 127.33 2ftr s VAL 46 Ca -0.08 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2ftr s VAL 46 Cb -0.03 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.72 2ftr s VAL 46 CO -0.12 0.48 -0.18 -0.89 0.00 0.00 0.00 175.10 174.38 2ftr s THR 47 N 0.59 2.10 -0.05 3.92 2.01 -1.26 -5.02 115.64 117.92 2ftr s THR 47 Ca -0.03 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.64 2ftr s THR 47 Cb -0.14 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 2ftr s THR 47 CO 0.03 0.46 1.11 -0.13 -0.69 0.00 0.00 174.62 175.39 2ftr s ARG 48 N 1.27 4.41 -0.36 4.92 0.52 -1.26 -4.41 118.95 124.04 2ftr s ARG 48 Ca 0.03 1.56 -0.23 0.00 -0.52 0.00 0.00 55.73 56.57 2ftr s ARG 48 Cb -0.14 -3.52 0.01 0.00 0.52 0.00 0.00 34.95 31.82 2ftr s ARG 48 CO -0.12 -0.33 0.75 0.42 0.02 0.00 0.00 175.30 176.04 2ftr s ILE 49 N 1.87 4.78 -2.09 1.52 -1.09 -0.13 -4.90 121.20 121.15 2ftr s ILE 49 Ca 0.53 0.84 0.20 0.00 -2.23 0.00 0.00 60.65 59.99 2ftr s ILE 49 Cb -0.23 -4.17 0.06 0.00 -1.58 0.00 0.00 42.46 36.54 2ftr s ILE 49 CO 0.22 -0.39 1.05 1.33 -1.23 0.00 0.00 174.94 175.92 2ftr n VAL 50 N 5.71 0.00 -2.42 2.92 0.24 -1.26 -4.66 118.33 118.86 2ftr n VAL 50 Ca 0.02 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2ftr n VAL 50 Cb 0.48 1.30 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 2ftr n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ftr n GLY 51 N 1.25 -1.99 3.86 7.63 0.00 -1.26 -4.88 105.19 109.81 2ftr n GLY 51 Ca 0.10 -1.27 -0.24 0.00 0.00 0.00 0.00 46.02 44.61 2ftr n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ftr s SER 52 N -2.43 4.75 0.00 1.61 1.04 -1.20 -4.59 113.70 112.88 2ftr s SER 52 Ca 0.00 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.40 2ftr s SER 52 Cb 0.00 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2ftr s SER 52 CO 0.00 -0.84 0.00 -2.65 0.98 0.00 0.00 173.24 170.73 2ftr n PRO 53 N -1.59 0.00 0.00 4.02 -0.02 -1.26 -4.74 135.00 131.41 2ftr n PRO 53 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2ftr n PRO 53 Cb 0.63 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 33.27 2ftr n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ftr n GLY 55 N 0.36 0.52 3.76 -1.23 0.00 -1.26 -5.23 105.19 102.11 2ftr n GLY 55 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2ftr n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ftr s GLU 56 N 2.10 2.08 0.10 1.61 2.02 -1.26 -4.38 118.70 120.96 2ftr s GLU 56 Ca 0.00 1.17 0.10 0.00 0.02 0.00 0.00 54.97 56.27 2ftr s GLU 56 Cb 0.00 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.32 2ftr s GLU 56 CO 0.00 -1.77 -0.26 0.45 0.02 0.00 0.00 175.26 173.70 2ftr s SER 57 N -3.34 3.17 0.56 -0.19 0.15 -1.26 -3.26 113.70 109.53 2ftr s SER 57 Ca 0.62 -0.69 0.26 0.00 0.70 0.00 0.00 55.95 56.83 2ftr s SER 57 Cb -0.18 -0.23 1.63 0.00 -1.71 0.00 0.00 66.02 65.53 2ftr s SER 57 CO 0.56 0.19 2.21 0.50 1.20 0.00 0.00 173.24 177.90 2ftr h LYS 58 N 4.18 0.00 -6.16 5.44 3.64 -1.97 -3.45 116.57 118.25 2ftr h LYS 58 Ca -0.49 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.29 2ftr h LYS 58 Cb 1.16 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.91 2ftr h LYS 58 CO 0.40 0.02 -0.57 -0.06 -2.27 0.00 0.00 179.45 176.97 2ftr s PHE 59 N -4.71 3.22 0.00 1.91 0.08 -1.26 -2.20 117.98 115.02 2ftr s PHE 59 Ca -0.05 0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.06 2ftr s PHE 59 Cb 0.15 -1.59 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 2ftr s PHE 59 CO 0.59 0.52 0.00 0.98 -0.10 0.00 0.00 175.22 177.21 2ftr n TYR 60 N 0.05 0.00 -3.47 0.36 9.36 0.42 -4.75 117.16 119.13 2ftr n TYR 60 Ca -0.08 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.12 2ftr n TYR 60 Cb 0.53 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.24 2ftr n TYR 60 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 2ftr n LEU 61 N -2.40 0.00 -3.64 2.98 0.00 -1.10 -0.96 117.00 111.88 2ftr n LEU 61 Ca 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 56.01 55.51 2ftr n LEU 61 Cb 0.48 0.48 -0.07 0.00 0.00 0.00 0.00 43.42 44.32 2ftr n LEU 61 CO 0.00 -0.12 0.73 0.00 0.00 0.00 0.00 177.39 178.00 2ftr s GLU 64 N 0.76 2.11 -0.28 0.00 2.02 0.13 -0.80 118.70 122.63 2ftr s GLU 64 Ca -0.02 -2.22 -0.22 0.00 0.02 0.00 0.00 54.97 52.53 2ftr s GLU 64 Cb -0.04 -1.65 0.13 0.00 0.10 0.00 0.00 34.13 32.67 2ftr s GLU 64 CO -0.11 -0.24 0.99 0.71 0.02 0.00 0.00 175.26 176.64 2ftr s TYR 66 N -2.78 -0.54 0.12 1.61 1.51 -0.25 -0.80 117.35 116.22 2ftr s TYR 66 Ca 0.22 1.21 0.05 0.00 -1.01 0.00 0.00 57.07 57.53 2ftr s TYR 66 Cb 0.05 0.37 -0.04 0.00 -0.11 0.00 0.00 41.96 42.23 2ftr s TYR 66 CO 0.12 -0.26 -0.11 0.71 -1.11 0.00 0.00 175.55 174.89 2ftr s TYR 67 N 0.65 1.23 0.06 2.71 2.02 -0.16 -0.39 117.35 123.47 2ftr s TYR 67 Ca -0.01 -0.67 0.26 0.00 -0.37 0.00 0.00 57.07 56.28 2ftr s TYR 67 Cb -0.05 -0.65 0.96 0.00 -0.40 0.00 0.00 41.96 41.83 2ftr s TYR 67 CO -0.10 0.07 1.84 -0.44 -1.57 0.00 0.00 175.55 175.35 2ftr h ASP 68 N 3.25 0.00 -5.25 2.29 3.32 -1.84 -2.95 116.42 115.23 2ftr h ASP 68 Ca -0.38 0.00 0.19 0.00 0.02 0.00 0.00 57.03 56.87 2ftr h ASP 68 Cb 1.19 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.64 2ftr h ASP 68 CO 0.56 0.15 0.55 1.51 -1.72 0.00 0.00 179.24 180.29 2ftr s ASP 69 N -6.06 -0.19 0.19 6.45 1.47 -1.26 -4.68 116.67 112.59 2ftr s ASP 69 Ca 0.01 -0.29 -0.11 0.00 1.18 0.00 0.00 52.55 53.35 2ftr s ASP 69 Cb 0.09 0.41 0.11 0.00 -0.34 0.00 0.00 42.92 43.20 2ftr s ASP 69 CO 0.62 -0.75 1.80 0.45 0.68 0.00 0.00 175.17 177.97 2ftr h HIS 70 N 2.00 0.93 -0.75 2.11 3.86 -1.97 -2.39 115.15 118.95 2ftr h HIS 70 Ca -0.24 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 58.93 2ftr h HIS 70 Cb 1.23 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 29.37 2ftr h HIS 70 CO 0.35 0.67 0.43 0.93 0.86 0.00 0.00 177.93 181.17 2ftr h GLU 71 N 0.92 1.03 -0.79 2.45 5.08 -1.99 -1.01 114.58 120.26 2ftr h GLU 71 Ca 0.23 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2ftr h GLU 71 Cb 0.06 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2ftr h GLU 71 CO -0.04 0.75 0.32 0.77 -1.00 0.00 0.00 179.01 179.81 2ftr h SER 72 N 1.03 1.08 -0.51 1.42 0.02 -1.91 -1.06 113.55 113.62 2ftr h SER 72 Ca 0.27 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2ftr h SER 72 Cb 0.00 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 2ftr h SER 72 CO -0.05 0.96 0.33 0.25 -1.14 0.00 0.00 176.83 177.18 2ftr h LEU 73 N 1.14 0.59 -0.85 5.07 5.85 -0.97 0.61 115.31 126.74 2ftr h LEU 73 Ca 0.26 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 2ftr h LEU 73 Cb 0.21 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2ftr h LEU 73 CO -0.02 0.43 0.08 1.56 -0.34 0.00 0.00 178.44 180.15 2ftr h GLN 74 N 0.69 0.93 -0.18 1.25 1.08 -0.86 -2.50 115.11 115.52 2ftr h GLN 74 Ca 0.19 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 2ftr h GLN 74 Cb -0.07 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.24 2ftr h GLN 74 CO -0.04 0.87 0.03 1.96 -0.95 0.00 0.00 178.83 180.70 2ftr h GLN 75 N 0.88 0.29 -1.93 1.46 1.08 -1.03 -3.24 115.11 112.61 2ftr h GLN 75 Ca 0.18 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2ftr h GLN 75 Cb 0.41 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 2ftr h GLN 75 CO 0.01 0.46 0.00 0.00 -0.95 0.00 0.00 178.83 178.35 2ftr n ALA 76 N -2.29 1.32 0.00 3.87 0.00 0.19 -2.41 120.51 121.19 2ftr n ALA 76 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2ftr n ALA 76 Cb 0.18 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2ftr n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ftr n ARG 78 N 1.31 0.00 -1.40 0.00 1.74 -1.23 -3.78 116.66 113.31 2ftr n ARG 78 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 2ftr n ARG 78 Cb 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.54 2ftr n ARG 78 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2ftr s THR 79 N 0.00 3.12 0.24 0.55 -4.23 -1.01 -4.80 115.64 109.50 2ftr s THR 79 Ca 0.00 0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 2ftr s THR 79 Cb 0.00 -2.98 0.20 0.00 1.34 0.00 0.00 72.50 71.06 2ftr s THR 79 CO 0.00 -0.47 1.79 0.44 -0.54 0.00 0.00 174.62 175.84 2ftr h ASP 80 N -1.19 0.57 -0.41 3.99 3.32 -1.94 0.25 116.42 121.00 2ftr h ASP 80 Ca -0.47 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.56 2ftr h ASP 80 Cb 1.26 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2ftr h ASP 80 CO 0.56 0.31 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.98 2ftr h GLU 81 N 0.69 0.78 -0.51 3.56 3.07 -1.91 -0.69 114.58 119.57 2ftr h GLU 81 Ca 0.39 -0.29 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 2ftr h GLU 81 Cb 0.40 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 2ftr h GLU 81 CO -0.27 0.90 0.24 0.78 -1.40 0.00 0.00 179.01 179.26 2ftr h GLY 82 N 0.60 0.78 0.98 -3.84 0.00 -1.52 -1.35 103.07 98.72 2ftr h GLY 82 Ca 0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2ftr h GLY 82 CO 0.04 0.37 0.24 0.50 0.00 0.00 0.00 176.54 177.69 2ftr h LYS 83 N 0.67 0.76 -0.72 4.80 1.57 -0.83 -0.96 116.57 121.87 2ftr h LYS 83 Ca 0.17 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2ftr h LYS 83 Cb 0.12 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2ftr h LYS 83 CO -0.02 0.64 0.33 0.00 -0.57 0.00 0.00 179.45 179.83 2ftr h ALA 84 N 1.08 0.92 -0.30 3.86 0.00 -0.95 -0.21 119.26 123.66 2ftr h ALA 84 Ca 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ftr h ALA 84 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2ftr h ALA 84 CO -0.02 0.50 0.15 1.03 0.00 0.00 0.00 179.25 180.91 2ftr h SER 85 N 1.01 0.40 -0.69 0.00 0.87 -1.07 -0.95 113.55 113.11 2ftr h SER 85 Ca 0.24 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2ftr h SER 85 Cb 0.14 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 2ftr h SER 85 CO -0.03 0.41 0.37 1.23 -0.53 0.00 0.00 176.83 178.28 2ftr h GLY 86 N 0.36 1.04 1.34 5.77 0.00 -0.86 -1.31 103.07 109.40 2ftr h GLY 86 Ca 0.10 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 2ftr h GLY 86 CO -0.01 0.46 -0.09 0.50 0.00 0.00 0.00 176.54 177.40 2ftr h LYS 87 N 0.95 0.79 -0.43 4.80 1.57 -0.92 -2.97 116.57 120.36 2ftr h LYS 87 Ca 0.24 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2ftr h LYS 87 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2ftr h LYS 87 CO -0.04 0.85 0.10 0.22 -0.57 0.00 0.00 179.45 180.01 2ftr h ASP 88 N 0.72 0.65 0.00 0.86 3.58 -0.79 -1.01 116.42 120.42 2ftr h ASP 88 Ca 0.12 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2ftr h ASP 88 Cb 0.57 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2ftr h ASP 88 CO 0.03 0.72 0.00 0.00 -2.88 0.00 0.00 179.24 177.12 2ftr n ALA 89 N -2.36 1.37 0.00 -0.78 0.00 -0.53 -2.11 120.51 116.10 2ftr n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ftr n ALA 89 Cb 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2ftr n ALA 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2ftr n LYS 91 N 0.73 0.00 0.07 0.00 4.81 -0.39 -1.12 118.16 122.27 2ftr n LYS 91 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 2ftr n LYS 91 Cb 0.03 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.06 2ftr n LYS 91 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 2ftr n PHE 92 N 0.00 0.69 -2.02 5.64 -1.74 -0.90 -4.65 117.46 114.48 2ftr n PHE 92 Ca 0.00 0.20 -0.01 0.00 -0.56 0.00 0.00 57.45 57.09 2ftr n PHE 92 Cb 0.00 -0.81 -0.01 0.00 1.52 0.00 0.00 39.48 40.19 2ftr n PHE 92 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2ftr n ALA 93 N -2.15 2.20 -0.14 1.98 0.00 -0.27 -4.96 120.51 117.17 2ftr n ALA 93 Ca -0.01 -0.44 0.08 0.00 0.00 0.00 0.00 53.44 53.08 2ftr n ALA 93 Cb 0.54 -0.20 0.41 0.00 0.00 0.00 0.00 19.45 20.20 2ftr n ALA 93 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ftr h GLY 94 N 0.05 0.81 2.00 0.00 0.00 -1.71 0.06 103.07 104.27 2ftr h GLY 94 Ca -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2ftr h GLY 94 CO -0.03 0.17 0.00 0.58 0.00 0.00 0.00 176.54 177.27 2ftr n LYS 95 N -4.48 0.15 0.00 4.80 2.85 -1.26 -2.67 118.16 117.54 2ftr n LYS 95 Ca 0.10 0.31 0.11 0.00 -1.05 0.00 0.00 58.31 57.78 2ftr n LYS 95 Cb 0.28 -1.75 -0.05 0.00 -0.65 0.00 0.00 35.03 32.86 2ftr n LYS 95 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2ftr n LEU 96 N -2.02 1.60 -4.68 -5.58 4.77 -0.01 -4.97 117.00 106.12 2ftr n LEU 96 Ca 0.03 -0.65 -0.35 0.00 -0.03 0.00 0.00 56.01 55.02 2ftr n LEU 96 Cb 0.26 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.26 2ftr n LEU 96 CO 0.21 0.32 -0.25 -0.22 -1.33 0.00 0.00 177.39 176.12 2ftr s LEU 97 N -2.70 3.86 -0.10 2.23 2.96 -1.09 -0.83 118.68 123.01 2ftr s LEU 97 Ca 0.14 0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.23 2ftr s LEU 97 Cb 0.17 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.90 2ftr s LEU 97 CO 0.70 0.24 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.85 2ftr s THR 98 N -0.00 2.21 0.39 3.68 2.01 -0.11 -4.99 115.64 118.84 2ftr s THR 98 Ca 0.06 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.17 2ftr s THR 98 Cb -0.12 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2ftr s THR 98 CO 0.01 0.56 0.21 -0.76 -0.69 0.00 0.00 174.62 173.94 2ftr s LEU 99 N 0.30 3.21 -0.12 4.42 1.43 -1.26 -1.01 118.68 125.65 2ftr s LEU 99 Ca -0.17 -0.93 -0.05 0.00 -1.03 0.00 0.00 54.13 51.95 2ftr s LEU 99 Cb -0.17 -1.64 0.05 0.00 0.03 0.00 0.00 46.19 44.46 2ftr s LEU 99 CO 0.08 -0.49 0.27 -0.63 0.23 0.00 0.00 176.35 175.80 2ftr s ILE 101 N -2.53 -0.17 0.18 -0.59 1.01 -1.26 -4.99 121.20 112.85 2ftr s ILE 101 Ca 0.41 0.19 0.07 0.00 0.00 0.00 0.00 60.65 61.32 2ftr s ILE 101 Cb 0.01 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 2ftr s ILE 101 CO 0.24 0.08 -0.15 -0.83 0.00 0.00 0.00 174.94 174.28 2ftr s GLY 102 N 1.67 1.32 -0.29 6.18 0.00 0.41 -4.99 107.32 111.61 2ftr s GLY 102 Ca -0.06 -1.55 -0.01 0.00 0.00 0.00 0.00 44.72 43.10 2ftr s GLY 102 CO -0.09 -1.63 -0.02 -0.54 0.00 0.00 0.00 173.10 170.82 2ftr s GLU 103 N -3.34 2.48 0.00 2.90 2.02 -1.26 -1.10 118.70 120.40 2ftr s GLU 103 Ca 0.18 -1.23 0.27 0.00 0.02 0.00 0.00 54.97 54.22 2ftr s GLU 103 Cb -0.02 -3.13 0.87 0.00 0.10 0.00 0.00 34.13 31.95 2ftr s GLU 103 CO 0.05 -0.58 1.64 -1.91 0.02 0.00 0.00 175.26 174.48