#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rwu n LYS 2 N 0.00 0.00 -1.25 2.12 0.00 -1.26 -1.78 118.16 115.99 1rwu n LYS 2 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.17 1rwu n LYS 2 Cb 0.00 -0.07 0.09 0.00 0.00 0.00 0.00 35.03 35.05 1rwu n LYS 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1rwu n THR 3 N -3.26 0.00 -2.94 3.15 -2.24 -1.26 -4.73 114.28 103.00 1rwu n THR 3 Ca 0.00 -0.64 -0.01 0.00 -2.27 0.00 0.00 64.05 61.13 1rwu n THR 3 Cb 0.02 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 66.75 1rwu n THR 3 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1rwu n LYS 4 N -2.28 -1.39 -3.83 -0.78 0.00 -1.26 -4.98 118.16 103.64 1rwu n LYS 4 Ca 0.09 1.53 -0.31 0.00 0.00 0.00 0.00 58.31 59.62 1rwu n LYS 4 Cb 0.31 -5.51 -0.11 0.00 0.00 0.00 0.00 35.03 29.72 1rwu n LYS 4 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1rwu s LEU 5 N -3.68 4.96 -0.06 3.14 0.20 -1.26 -4.85 118.68 117.13 1rwu s LEU 5 Ca 0.03 -3.61 0.20 0.00 0.69 0.00 0.00 54.13 51.44 1rwu s LEU 5 Cb -0.01 -1.72 -0.25 0.00 -0.43 0.00 0.00 46.19 43.78 1rwu s LEU 5 CO 0.71 -0.15 0.44 -3.20 -0.29 0.00 0.00 176.35 173.86 1rwu n ASN 6 N 2.36 0.22 -2.35 3.68 5.15 -1.26 -5.07 115.26 117.99 1rwu n ASN 6 Ca 0.17 0.10 -0.04 0.00 -0.60 0.00 0.00 54.58 54.20 1rwu n ASN 6 Cb 0.35 1.20 -0.04 0.00 -0.53 0.00 0.00 39.78 40.77 1rwu n ASN 6 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1rwu n GLU 7 N -2.57 -3.58 -0.32 1.20 0.00 -1.26 -4.98 120.64 109.12 1rwu n GLU 7 Ca -0.15 2.81 0.07 0.00 0.00 0.00 0.00 57.16 59.89 1rwu n GLU 7 Cb 0.82 -4.19 0.12 0.00 0.00 0.00 0.00 31.44 28.20 1rwu n GLU 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1rwu n LEU 8 N 1.30 1.96 0.00 4.31 4.77 -1.26 -4.78 117.00 123.30 1rwu n LEU 8 Ca -0.33 -2.84 0.00 0.00 -0.03 0.00 0.00 56.01 52.81 1rwu n LEU 8 Cb 0.50 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1rwu n LEU 8 CO 0.32 0.76 -0.41 0.18 -1.33 0.00 0.00 177.39 176.90 1rwu n LEU 9 N -1.04 0.37 -2.47 2.23 4.32 -1.26 -5.03 117.00 114.12 1rwu n LEU 9 Ca 0.13 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.92 1rwu n LEU 9 Cb 0.69 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.49 1rwu n LEU 9 CO -0.00 -0.01 -0.17 -0.62 -1.22 0.00 0.00 177.39 175.37 1rwu n GLU 10 N -2.82 -2.67 -3.81 3.23 4.71 -1.21 -4.97 120.64 113.10 1rwu n GLU 10 Ca 0.00 0.93 -0.37 0.00 -0.01 0.00 0.00 57.16 57.71 1rwu n GLU 10 Cb 0.41 -5.59 -0.13 0.00 -1.01 0.00 0.00 31.44 25.13 1rwu n GLU 10 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1rwu s PHE 11 N -3.05 3.29 -0.35 -0.32 0.08 -0.90 -4.98 117.98 111.75 1rwu s PHE 11 Ca 0.10 -1.67 -0.29 0.00 0.12 0.00 0.00 56.93 55.20 1rwu s PHE 11 Cb -0.04 -2.31 -0.01 0.00 -0.57 0.00 0.00 43.02 40.09 1rwu s PHE 11 CO 0.13 -0.78 1.66 -1.25 -0.10 0.00 0.00 175.22 174.88 1rwu s PRO 12 N 1.33 3.45 0.04 0.24 0.04 -1.26 -4.05 135.00 134.78 1rwu s PRO 12 Ca -0.02 1.29 0.04 0.00 0.04 0.00 0.00 61.00 62.34 1rwu s PRO 12 Cb -0.20 -4.13 -0.02 0.00 0.04 0.00 0.00 34.50 30.19 1rwu s PRO 12 CO 0.01 -1.72 -0.11 -0.08 0.04 0.00 0.00 177.00 175.13 1rwu s THR 13 N 6.29 0.88 0.00 1.26 -1.32 -0.70 -4.89 115.64 117.16 1rwu s THR 13 Ca 0.73 -0.94 -0.30 0.00 -1.21 0.00 0.00 61.69 59.97 1rwu s THR 13 Cb -0.20 -0.83 -0.05 0.00 -1.51 0.00 0.00 72.50 69.91 1rwu s THR 13 CO 0.33 -0.09 1.37 -2.16 -2.21 0.00 0.00 174.62 171.86 1rwu s PRO 14 N -1.15 4.30 -0.50 7.08 0.04 -1.26 -2.03 135.00 141.48 1rwu s PRO 14 Ca -0.01 1.93 -0.10 0.00 0.04 0.00 0.00 61.00 62.86 1rwu s PRO 14 Cb -0.08 -3.54 0.13 0.00 0.04 0.00 0.00 34.50 31.05 1rwu s PRO 14 CO 0.01 -0.54 0.38 -0.06 0.04 0.00 0.00 177.00 176.84 1rwu s PHE 15 N 2.24 3.42 -0.91 0.56 0.08 0.21 -4.96 117.98 118.61 1rwu s PHE 15 Ca 0.63 -1.84 -0.24 0.00 0.12 0.00 0.00 56.93 55.60 1rwu s PHE 15 Cb -0.31 -3.54 0.02 0.00 -0.57 0.00 0.00 43.02 38.62 1rwu s PHE 15 CO 0.26 -0.99 1.56 0.99 -0.10 0.00 0.00 175.22 176.94 1rwu s THR 16 N 1.30 3.73 -0.45 0.64 2.01 -1.26 -3.55 115.64 118.07 1rwu s THR 16 Ca 0.06 -0.37 -0.15 0.00 0.31 0.00 0.00 61.69 61.53 1rwu s THR 16 Cb -0.26 -4.71 0.05 0.00 0.01 0.00 0.00 72.50 67.59 1rwu s THR 16 CO -0.01 -1.62 0.36 -0.31 -0.69 0.00 0.00 174.62 172.35 1rwu s TYR 17 N 6.57 3.24 -1.03 4.92 1.51 -0.96 -4.82 117.35 126.78 1rwu s TYR 17 Ca 0.51 -0.77 -0.21 0.00 -1.01 0.00 0.00 57.07 55.59 1rwu s TYR 17 Cb -0.04 -2.92 0.07 0.00 -0.11 0.00 0.00 41.96 38.96 1rwu s TYR 17 CO -0.01 -0.71 1.42 0.21 -1.11 0.00 0.00 175.55 175.35 1rwu s LYS 18 N 1.68 3.64 -0.88 -0.62 2.36 -1.26 -0.33 119.74 124.34 1rwu s LYS 18 Ca 0.05 -1.36 -0.25 0.00 -2.55 0.00 0.00 55.97 51.85 1rwu s LYS 18 Cb -0.22 -5.29 0.04 0.00 -1.05 0.00 0.00 37.83 31.32 1rwu s LYS 18 CO 0.08 -2.12 1.37 0.08 1.55 0.00 0.00 175.35 176.31 1rwu s VAL 19 N 4.38 3.82 -0.19 4.02 1.01 0.27 -0.46 120.40 133.25 1rwu s VAL 19 Ca 0.44 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 1rwu s VAL 19 Cb -0.01 -4.98 -0.03 0.00 0.00 0.00 0.00 36.38 31.36 1rwu s VAL 19 CO -0.08 -1.90 0.00 -0.32 0.00 0.00 0.00 175.10 172.81 1rwu s MET 20 N 5.37 3.67 0.00 2.72 0.00 0.95 -1.16 119.30 130.85 1rwu s MET 20 Ca 0.41 -0.50 0.00 0.00 0.00 0.00 0.00 55.69 55.60 1rwu s MET 20 Cb -0.04 -3.08 0.00 0.00 0.00 0.00 0.00 34.83 31.71 1rwu s MET 20 CO 0.03 0.07 0.00 0.41 0.00 0.00 0.00 175.02 175.53 1rwu n GLY 21 N 4.08 3.66 3.63 2.11 0.00 -0.91 -1.14 105.19 116.63 1rwu n GLY 21 Ca -0.17 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 1rwu n GLY 21 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rwu s GLN 22 N 0.93 0.24 -0.44 1.61 0.74 -0.74 -0.63 119.66 121.38 1rwu s GLN 22 Ca 0.00 0.71 -0.27 0.00 0.05 0.00 0.00 55.36 55.85 1rwu s GLN 22 Cb 0.00 -1.70 -0.05 0.00 1.10 0.00 0.00 33.01 32.37 1rwu s GLN 22 CO 0.00 -2.91 2.14 0.00 -0.55 0.00 0.00 175.29 173.97 1rwu s ALA 23 N -2.81 2.18 -0.12 1.58 0.00 -0.33 -3.70 121.76 118.56 1rwu s ALA 23 Ca 0.66 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.68 1rwu s ALA 23 Cb -0.20 -4.23 0.02 0.00 0.00 0.00 0.00 23.12 18.71 1rwu s ALA 23 CO 0.59 -3.70 -0.15 -0.51 0.00 0.00 0.00 175.76 172.00 1rwu s LEU 24 N 9.83 1.69 0.46 0.00 2.01 -1.26 -4.95 118.68 126.45 1rwu s LEU 24 Ca 0.88 -0.45 0.26 0.00 0.01 0.00 0.00 54.13 54.83 1rwu s LEU 24 Cb -0.20 -1.12 0.89 0.00 0.01 0.00 0.00 46.19 45.77 1rwu s LEU 24 CO 0.28 -0.02 1.81 1.55 1.01 0.00 0.00 176.35 180.98 1rwu h PRO 25 N 7.70 0.00 0.00 1.29 0.13 -2.04 -2.99 132.00 136.09 1rwu h PRO 25 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1rwu h PRO 25 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1rwu h PRO 25 CO 0.50 0.16 0.00 -0.85 -0.23 0.00 0.00 178.00 177.58 1rwu n GLU 26 N -3.25 0.86 0.18 0.86 -0.00 -1.26 -4.12 120.64 113.91 1rwu n GLU 26 Ca 0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 57.16 57.01 1rwu n GLU 26 Cb 0.44 -1.50 -0.08 0.00 -0.00 0.00 0.00 31.44 30.29 1rwu n GLU 26 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1rwu h LEU 27 N 0.00 -1.30 -1.48 -1.84 3.38 -1.88 -0.44 115.31 111.75 1rwu h LEU 27 Ca 0.00 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1rwu h LEU 27 Cb 0.03 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1rwu h LEU 27 CO 0.00 -0.56 -0.23 1.62 0.09 0.00 0.00 178.44 179.36 1rwu h VAL 28 N -0.79 1.18 0.42 1.22 3.04 -1.85 -0.71 116.25 118.76 1rwu h VAL 28 Ca -0.01 -0.85 -0.02 0.00 -1.01 0.00 0.00 66.70 64.81 1rwu h VAL 28 Cb 0.75 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1rwu h VAL 28 CO -0.17 0.25 -0.20 0.44 -1.01 0.00 0.00 177.57 176.87 1rwu h ASP 29 N 0.04 -0.48 -0.26 3.17 3.32 -1.62 -2.48 116.42 118.10 1rwu h ASP 29 Ca 0.01 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 56.81 1rwu h ASP 29 Cb 0.43 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1rwu h ASP 29 CO 0.03 -0.11 -0.33 -0.61 -1.72 0.00 0.00 179.24 176.51 1rwu h GLN 30 N -0.92 0.79 0.29 3.56 4.15 -1.09 -2.38 115.11 119.50 1rwu h GLN 30 Ca -0.06 -0.37 -0.00 0.00 0.77 0.00 0.00 58.65 58.99 1rwu h GLN 30 Cb 0.56 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 1rwu h GLN 30 CO 0.10 1.00 -0.24 0.28 -1.93 0.00 0.00 178.83 178.03 1rwu h VAL 31 N 0.66 0.48 -0.26 2.39 2.07 -1.18 0.24 116.25 120.66 1rwu h VAL 31 Ca 0.07 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.51 1rwu h VAL 31 Cb 0.87 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1rwu h VAL 31 CO 0.08 0.00 -0.17 1.62 0.02 0.00 0.00 177.57 179.11 1rwu h VAL 32 N -0.55 1.24 0.09 2.57 3.04 -1.48 -0.93 116.25 120.23 1rwu h VAL 32 Ca -0.02 -1.09 -0.00 0.00 -1.01 0.00 0.00 66.70 64.58 1rwu h VAL 32 Cb 0.49 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1rwu h VAL 32 CO -0.03 0.35 -0.04 -0.08 -1.01 0.00 0.00 177.57 176.76 1rwu h GLU 33 N 0.41 -0.11 0.00 4.17 4.22 -1.13 -2.30 114.58 119.84 1rwu h GLU 33 Ca 0.07 0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.46 1rwu h GLU 33 Cb 0.54 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1rwu h GLU 33 CO 0.04 0.43 -0.30 -0.24 -2.18 0.00 0.00 179.01 176.75 1rwu h VAL 34 N -0.81 0.94 0.11 0.32 3.04 -0.56 -1.87 116.25 117.42 1rwu h VAL 34 Ca -0.01 -1.14 -0.26 0.00 -1.01 0.00 0.00 66.70 64.27 1rwu h VAL 34 Cb 0.59 1.67 -0.00 0.00 -2.01 0.00 0.00 31.29 31.54 1rwu h VAL 34 CO 0.02 0.29 -1.20 1.62 -1.01 0.00 0.00 177.57 177.30 1rwu h VAL 35 N 0.00 1.54 0.00 1.51 3.04 -1.24 -3.05 116.25 118.05 1rwu h VAL 35 Ca -0.00 -3.12 -0.08 0.00 -1.01 0.00 0.00 66.70 62.49 1rwu h VAL 35 Cb 0.64 2.92 -0.01 0.00 -2.01 0.00 0.00 31.29 32.84 1rwu h VAL 35 CO 0.04 0.91 -0.45 0.06 -1.01 0.00 0.00 177.57 177.11 1rwu h GLN 36 N 0.06 0.00 0.03 4.17 3.07 -1.29 -0.88 115.11 120.27 1rwu h GLN 36 Ca -0.11 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.45 1rwu h GLN 36 Cb 1.93 0.00 0.02 0.00 0.08 0.00 0.00 27.48 29.51 1rwu h GLN 36 CO 0.19 0.35 -0.70 0.00 0.09 0.00 0.00 178.83 178.77 1rwu h ARG 37 N 0.00 0.42 0.04 0.06 3.08 -1.41 -3.39 114.38 113.18 1rwu h ARG 37 Ca -0.01 -0.49 -0.34 0.00 0.07 0.00 0.00 59.98 59.21 1rwu h ARG 37 Cb 1.29 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.45 1rwu h ARG 37 CO 0.05 1.15 -1.89 0.72 -1.07 0.00 0.00 179.97 178.93 1rwu n HIS 38 N -4.16 0.77 -3.47 3.04 8.25 -1.15 -4.93 115.22 113.57 1rwu n HIS 38 Ca -0.11 0.25 -0.33 0.00 -0.26 0.00 0.00 57.72 57.27 1rwu n HIS 38 Cb 0.73 -1.09 -0.05 0.00 1.12 0.00 0.00 29.99 30.69 1rwu n HIS 38 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rwu s ALA 39 N -2.47 3.62 0.30 -1.41 0.00 -0.34 -5.05 121.76 116.42 1rwu s ALA 39 Ca -0.30 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 1rwu s ALA 39 Cb 0.08 -2.38 -0.10 0.00 0.00 0.00 0.00 23.12 20.73 1rwu s ALA 39 CO 0.63 0.54 1.16 -1.25 0.00 0.00 0.00 175.76 176.84 1rwu s PRO 40 N -2.59 4.52 0.00 0.00 0.04 -1.26 -4.17 135.00 131.55 1rwu s PRO 40 Ca 0.44 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1rwu s PRO 40 Cb -0.12 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1rwu s PRO 40 CO 0.21 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.73 1rwu n GLY 41 N 1.04 -2.72 3.83 0.56 0.00 -1.26 -4.88 105.19 101.76 1rwu n GLY 41 Ca -0.00 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 1rwu n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rwu s ASP 42 N -3.45 6.89 0.36 1.61 1.01 -1.26 -4.26 116.67 117.57 1rwu s ASP 42 Ca 0.00 1.13 0.04 0.00 0.71 0.00 0.00 52.55 54.43 1rwu s ASP 42 Cb 0.00 -2.31 -0.05 0.00 1.01 0.00 0.00 42.92 41.57 1rwu s ASP 42 CO 0.00 0.15 0.07 -0.31 0.21 0.00 0.00 175.17 175.29 1rwu s TYR 43 N -1.37 1.94 0.03 4.23 2.02 -1.26 -5.01 117.35 117.93 1rwu s TYR 43 Ca 0.35 -1.03 -0.03 0.00 -0.37 0.00 0.00 57.07 55.99 1rwu s TYR 43 Cb -0.16 -1.30 -0.02 0.00 -0.40 0.00 0.00 41.96 40.08 1rwu s TYR 43 CO 0.19 -0.04 0.05 0.99 -1.57 0.00 0.00 175.55 175.17 1rwu s THR 44 N -3.22 0.14 0.44 -0.71 2.01 -1.26 -4.20 115.64 108.83 1rwu s THR 44 Ca 0.31 -1.16 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1rwu s THR 44 Cb 0.07 -0.83 -0.00 0.00 0.01 0.00 0.00 72.50 71.74 1rwu s THR 44 CO 0.14 -0.64 0.65 -2.16 -0.69 0.00 0.00 174.62 171.92 1rwu s PRO 45 N -2.51 3.08 -0.41 4.92 0.04 -1.26 -2.70 135.00 136.16 1rwu s PRO 45 Ca -0.06 -0.53 0.04 0.00 0.04 0.00 0.00 61.00 60.49 1rwu s PRO 45 Cb -0.02 -2.59 0.11 0.00 0.04 0.00 0.00 34.50 32.05 1rwu s PRO 45 CO -0.04 -0.23 0.13 0.99 0.04 0.00 0.00 177.00 177.90 1rwu s THR 46 N -2.51 2.37 0.35 1.26 2.01 0.13 -4.79 115.64 114.46 1rwu s THR 46 Ca 0.48 -2.72 -0.26 0.00 0.31 0.00 0.00 61.69 59.49 1rwu s THR 46 Cb -0.10 -2.71 -0.09 0.00 0.01 0.00 0.00 72.50 69.61 1rwu s THR 46 CO 0.37 -0.68 1.05 0.54 -0.69 0.00 0.00 174.62 175.20 1rwu s VAL 47 N 0.43 3.73 -0.23 3.82 0.11 -1.25 -1.20 120.40 125.81 1rwu s VAL 47 Ca 0.13 1.47 -0.03 0.00 -2.93 0.00 0.00 61.98 60.62 1rwu s VAL 47 Cb -0.22 -3.83 0.08 0.00 -1.53 0.00 0.00 36.38 30.88 1rwu s VAL 47 CO -0.05 0.15 0.07 -0.54 -3.33 0.00 0.00 175.10 171.40 1rwu s LYS 48 N -2.08 0.50 0.42 1.54 3.01 0.67 -4.90 119.74 118.90 1rwu s LYS 48 Ca 0.52 -0.53 0.26 0.00 -1.01 0.00 0.00 55.97 55.22 1rwu s LYS 48 Cb -0.25 -1.88 0.73 0.00 -1.01 0.00 0.00 37.83 35.42 1rwu s LYS 48 CO 0.31 -0.78 1.74 -1.00 0.51 0.00 0.00 175.35 176.13 1rwu h PRO 49 N 8.27 0.00 0.00 -1.68 0.13 -1.86 -2.68 132.00 134.17 1rwu h PRO 49 Ca -0.16 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1rwu h PRO 49 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1rwu h PRO 49 CO 0.38 0.00 -0.01 0.66 -0.23 0.00 0.00 178.00 178.79 1rwu h SER 50 N 0.00 0.00 0.52 1.44 4.64 -1.94 -2.96 113.55 115.26 1rwu h SER 50 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1rwu h SER 50 Cb 0.79 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1rwu h SER 50 CO 0.00 0.01 -0.25 0.28 -0.87 0.00 0.00 176.83 176.00 1rwu h SER 51 N 0.00 -0.59 -5.17 4.97 0.02 -1.85 -3.47 113.55 107.46 1rwu h SER 51 Ca -0.00 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 1rwu h SER 51 Cb 0.04 0.15 -0.10 0.00 0.14 0.00 0.00 62.40 62.63 1rwu h SER 51 CO 0.00 -0.31 -0.10 -0.54 -1.14 0.00 0.00 176.83 174.74 1rwu s LYS 52 N -5.38 1.37 -0.11 3.45 1.02 -1.12 -5.03 119.74 113.95 1rwu s LYS 52 Ca -0.16 -1.05 -0.24 0.00 0.02 0.00 0.00 55.97 54.54 1rwu s LYS 52 Cb 0.03 0.47 -0.21 0.00 -0.52 0.00 0.00 37.83 37.60 1rwu s LYS 52 CO 0.57 -0.56 0.78 0.78 -0.92 0.00 0.00 175.35 175.99 1rwu h GLY 53 N 2.31 -0.03 -2.25 -3.33 0.00 -1.92 -3.31 103.07 94.54 1rwu h GLY 53 Ca -0.29 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1rwu h GLY 53 CO 0.40 -0.01 0.00 1.16 0.00 0.00 0.00 176.54 178.09 1rwu n ASN 54 N -4.71 3.38 -3.94 0.19 6.94 -1.26 -4.85 115.26 111.01 1rwu n ASN 54 Ca -0.08 -2.28 -0.22 0.00 -0.02 0.00 0.00 54.58 51.98 1rwu n ASN 54 Cb 0.36 -0.46 -0.16 0.00 -2.36 0.00 0.00 39.78 37.16 1rwu n ASN 54 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1rwu s TYR 55 N -1.70 1.01 -0.15 -2.53 5.04 -1.25 -1.18 117.35 116.59 1rwu s TYR 55 Ca 0.35 -0.33 -0.02 0.00 -2.44 0.00 0.00 57.07 54.63 1rwu s TYR 55 Cb 0.22 -0.81 -0.02 0.00 0.35 0.00 0.00 41.96 41.70 1rwu s TYR 55 CO 0.18 -0.22 -0.07 -1.01 -1.34 0.00 0.00 175.55 173.08 1rwu s HIS 56 N 0.82 2.94 -0.58 4.97 3.76 0.20 -3.52 115.29 123.88 1rwu s HIS 56 Ca -0.12 -0.44 -0.17 0.00 -0.15 0.00 0.00 55.06 54.17 1rwu s HIS 56 Cb -0.15 -1.91 0.12 0.00 1.11 0.00 0.00 32.58 31.75 1rwu s HIS 56 CO 0.01 -0.11 0.61 0.45 -0.85 0.00 0.00 174.74 174.86 1rwu s SER 57 N 0.37 6.22 -0.25 1.40 0.15 -1.01 -2.14 113.70 118.44 1rwu s SER 57 Ca -0.07 -1.69 -0.09 0.00 0.70 0.00 0.00 55.95 54.81 1rwu s SER 57 Cb -0.15 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 1rwu s SER 57 CO 0.04 -0.96 0.11 -0.69 1.20 0.00 0.00 173.24 172.94 1rwu s VAL 58 N 2.01 4.70 -0.35 4.45 1.01 -0.30 -0.24 120.40 131.68 1rwu s VAL 58 Ca 0.08 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1rwu s VAL 58 Cb -0.26 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1rwu s VAL 58 CO 0.04 0.32 0.23 -0.55 0.00 0.00 0.00 175.10 175.14 1rwu s SER 59 N 1.55 5.97 -0.10 3.32 0.15 -0.34 0.98 113.70 125.22 1rwu s SER 59 Ca 0.06 -0.53 -0.16 0.00 0.70 0.00 0.00 55.95 56.03 1rwu s SER 59 Cb -0.15 -2.11 -0.05 0.00 -1.71 0.00 0.00 66.02 62.00 1rwu s SER 59 CO 0.06 -0.26 0.41 -0.51 1.20 0.00 0.00 173.24 174.13 1rwu s ILE 60 N 1.69 5.18 -0.14 6.45 2.07 0.55 0.22 121.20 137.22 1rwu s ILE 60 Ca 0.06 0.81 -0.09 0.00 -1.41 0.00 0.00 60.65 60.01 1rwu s ILE 60 Cb -0.18 -3.74 -0.05 0.00 0.13 0.00 0.00 42.46 38.63 1rwu s ILE 60 CO 0.10 0.41 0.18 -0.89 -1.91 0.00 0.00 174.94 172.82 1rwu s THR 61 N 0.13 5.41 -0.28 4.00 2.01 -1.10 -2.26 115.64 123.55 1rwu s THR 61 Ca 0.23 0.29 -0.18 0.00 0.31 0.00 0.00 61.69 62.34 1rwu s THR 61 Cb -0.15 -3.47 0.09 0.00 0.01 0.00 0.00 72.50 68.98 1rwu s THR 61 CO 0.09 0.53 0.77 -0.51 -0.69 0.00 0.00 174.62 174.81 1rwu s ILE 62 N -0.40 0.00 -0.47 1.82 2.07 -1.23 -4.30 121.20 118.68 1rwu s ILE 62 Ca 0.14 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.27 1rwu s ILE 62 Cb -0.12 -1.00 0.11 0.00 0.13 0.00 0.00 42.46 41.58 1rwu s ILE 62 CO 0.03 0.00 0.36 0.21 -1.91 0.00 0.00 174.94 173.63 1rwu s ASN 63 N 1.35 5.80 0.06 4.50 2.47 -1.26 0.64 114.94 128.50 1rwu s ASN 63 Ca -0.08 -1.79 0.07 0.00 0.42 0.00 0.00 52.86 51.49 1rwu s ASN 63 Cb -0.05 -2.05 -0.03 0.00 -1.45 0.00 0.00 41.25 37.67 1rwu s ASN 63 CO -0.16 -0.69 -0.17 0.00 -3.72 0.00 0.00 177.10 172.36 1rwu s ALA 64 N 1.43 2.66 -1.71 1.71 0.00 -0.86 -4.65 121.76 120.34 1rwu s ALA 64 Ca 0.05 -1.23 0.30 0.00 0.00 0.00 0.00 51.96 51.08 1rwu s ALA 64 Cb -0.26 -0.75 1.66 0.00 0.00 0.00 0.00 23.12 23.77 1rwu s ALA 64 CO 0.01 0.58 2.10 0.25 0.00 0.00 0.00 175.76 178.70 1rwu n THR 65 N 1.32 0.02 -4.30 0.00 -2.24 -1.26 -1.72 114.28 106.10 1rwu n THR 65 Ca -0.16 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.43 1rwu n THR 65 Cb 0.52 -0.52 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 1rwu n THR 65 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1rwu s HIS 66 N -2.29 1.27 0.02 4.78 5.65 -1.26 -2.11 115.29 121.35 1rwu s HIS 66 Ca 0.37 -0.39 -0.17 0.00 0.25 0.00 0.00 55.06 55.11 1rwu s HIS 66 Cb 0.20 -0.74 -0.32 0.00 -1.18 0.00 0.00 32.58 30.55 1rwu s HIS 66 CO 0.40 0.05 1.02 0.82 -0.65 0.00 0.00 174.74 176.38 1rwu h ILE 67 N 4.40 1.35 -0.17 0.89 5.03 -1.93 -3.29 117.51 123.80 1rwu h ILE 67 Ca -0.40 -2.53 -0.06 0.00 -0.12 0.00 0.00 64.86 61.75 1rwu h ILE 67 Cb 1.18 2.93 -0.01 0.00 -3.03 0.00 0.00 36.82 37.90 1rwu h ILE 67 CO 0.42 0.75 -0.19 -0.08 -0.68 0.00 0.00 178.15 178.38 1rwu h GLU 68 N 0.05 0.28 0.58 2.37 4.22 -1.96 -2.80 114.58 117.33 1rwu h GLU 68 Ca -0.19 -0.08 -0.03 0.00 0.08 0.00 0.00 59.36 59.14 1rwu h GLU 68 Cb 1.90 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 31.12 1rwu h GLU 68 CO 0.22 0.46 -0.29 0.37 -2.18 0.00 0.00 179.01 177.60 1rwu h GLN 69 N 0.26 -0.76 0.00 1.92 4.15 -1.94 -0.94 115.11 117.80 1rwu h GLN 69 Ca 0.05 0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1rwu h GLN 69 Cb 0.48 0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.34 1rwu h GLN 69 CO 0.03 -0.51 -0.06 -0.24 -1.93 0.00 0.00 178.83 176.13 1rwu h VAL 70 N -0.79 1.03 -0.32 2.39 3.04 -1.62 -2.09 116.25 117.89 1rwu h VAL 70 Ca -0.08 -0.20 -0.08 0.00 -1.01 0.00 0.00 66.70 65.34 1rwu h VAL 70 Cb 0.61 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.99 1rwu h VAL 70 CO 0.13 0.06 -0.10 -0.33 -1.01 0.00 0.00 177.57 176.32 1rwu h GLU 71 N 0.00 0.63 -0.84 4.17 4.39 -1.18 -2.06 114.58 119.70 1rwu h GLU 71 Ca -0.00 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1rwu h GLU 71 Cb 0.10 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 1rwu h GLU 71 CO 0.01 0.82 0.53 1.15 -1.16 0.00 0.00 179.01 180.36 1rwu h THR 72 N 0.41 1.23 -0.65 1.13 2.02 -0.36 -1.72 112.91 114.97 1rwu h THR 72 Ca 0.08 -0.47 -0.05 0.00 0.77 0.00 0.00 66.41 66.74 1rwu h THR 72 Cb 0.60 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1rwu h THR 72 CO 0.04 0.23 0.20 -0.07 0.37 0.00 0.00 175.52 176.28 1rwu h LEU 73 N 1.16 0.93 -0.24 2.58 4.07 -1.19 -1.11 115.31 121.51 1rwu h LEU 73 Ca 0.31 -0.16 0.01 0.00 0.08 0.00 0.00 57.88 58.11 1rwu h LEU 73 Cb -0.08 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.40 1rwu h LEU 73 CO -0.06 0.87 0.13 0.22 -1.08 0.00 0.00 178.44 178.52 1rwu h TYR 74 N 0.96 0.25 -0.09 1.13 3.20 -0.60 -1.30 116.97 120.52 1rwu h TYR 74 Ca 0.21 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 1rwu h TYR 74 Cb 0.28 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1rwu h TYR 74 CO 0.02 0.14 -0.21 0.93 -1.64 0.00 0.00 178.16 177.41 1rwu h GLU 75 N 0.27 0.15 0.10 1.82 5.08 -1.12 0.23 114.58 121.10 1rwu h GLU 75 Ca 0.09 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1rwu h GLU 75 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1rwu h GLU 75 CO -0.05 0.36 -0.05 0.93 -1.00 0.00 0.00 179.01 179.20 1rwu h GLU 76 N 0.14 -0.13 0.00 2.33 3.07 -0.36 -2.51 114.58 117.12 1rwu h GLU 76 Ca 0.02 0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 1rwu h GLU 76 Cb 0.45 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 1rwu h GLU 76 CO 0.03 0.18 -0.44 1.37 -1.40 0.00 0.00 179.01 178.75 1rwu h LEU 77 N -0.44 0.00 -3.98 1.33 8.10 -1.16 -3.23 115.31 115.94 1rwu h LEU 77 Ca -0.01 0.00 -0.66 0.00 0.11 0.00 0.00 57.88 57.32 1rwu h LEU 77 Cb 0.37 0.00 -0.30 0.00 -0.44 0.00 0.00 40.66 40.29 1rwu h LEU 77 CO 0.02 0.44 0.77 0.61 -4.11 0.00 0.00 178.44 176.18 1rwu n GLY 78 N 0.78 5.80 1.12 0.17 0.00 0.79 -4.42 105.19 109.43 1rwu n GLY 78 Ca 0.01 -2.24 0.12 0.00 0.00 0.00 0.00 46.02 43.91 1rwu n GLY 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rwu n LYS 79 N -0.93 2.47 -1.42 1.61 4.81 -0.95 -4.72 118.16 119.03 1rwu n LYS 79 Ca 0.62 -2.21 -0.35 0.00 -0.87 0.00 0.00 58.31 55.50 1rwu n LYS 79 Cb 0.75 -1.51 0.10 0.00 0.02 0.00 0.00 35.03 34.39 1rwu n LYS 79 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1rwu s ILE 80 N -1.59 2.02 0.54 3.15 1.09 -1.26 -4.87 121.20 120.28 1rwu s ILE 80 Ca 0.37 0.01 0.22 0.00 -1.10 0.00 0.00 60.65 60.15 1rwu s ILE 80 Cb 0.22 -2.70 0.30 0.00 -1.06 0.00 0.00 42.46 39.22 1rwu s ILE 80 CO 0.31 -0.00 2.18 0.44 -0.10 0.00 0.00 174.94 177.77 1rwu h ASP 81 N -0.20 0.00 -3.65 3.58 3.32 -2.00 -3.43 116.42 114.03 1rwu h ASP 81 Ca -0.49 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.13 1rwu h ASP 81 Cb 1.32 0.00 0.18 0.00 0.22 0.00 0.00 39.33 41.04 1rwu h ASP 81 CO 0.49 0.02 0.14 -0.51 -1.72 0.00 0.00 179.24 177.66 1rwu s ILE 82 N -4.81 1.88 -0.46 0.35 1.10 -1.26 -4.94 121.20 113.06 1rwu s ILE 82 Ca -0.05 0.00 -0.28 0.00 -0.51 0.00 0.00 60.65 59.81 1rwu s ILE 82 Cb 0.16 -2.41 0.03 0.00 0.15 0.00 0.00 42.46 40.38 1rwu s ILE 82 CO 0.62 0.00 1.07 -0.69 -2.11 0.00 0.00 174.94 173.83 1rwu s VAL 83 N -2.88 4.32 -0.08 4.00 1.01 -1.26 -4.94 120.40 120.57 1rwu s VAL 83 Ca 0.67 1.14 0.04 0.00 0.00 0.00 0.00 61.98 63.84 1rwu s VAL 83 Cb -0.17 -4.53 -0.00 0.00 0.00 0.00 0.00 36.38 31.67 1rwu s VAL 83 CO 0.58 -0.90 -0.22 -0.60 0.00 0.00 0.00 175.10 173.96 1rwu s ARG 84 N 4.17 2.65 0.33 2.72 6.06 -1.26 -1.79 118.95 131.81 1rwu s ARG 84 Ca 0.44 -0.81 0.03 0.00 -2.50 0.00 0.00 55.73 52.90 1rwu s ARG 84 Cb -0.08 -2.09 -0.05 0.00 0.06 0.00 0.00 34.95 32.78 1rwu s ARG 84 CO 0.28 0.22 0.08 -1.64 -2.50 0.00 0.00 175.30 171.74 1rwu s MET 85 N 0.22 1.65 0.05 5.12 -1.94 -0.29 -4.95 119.30 119.16 1rwu s MET 85 Ca -0.13 -1.93 0.00 0.00 -1.71 0.00 0.00 55.69 51.92 1rwu s MET 85 Cb -0.16 -0.69 -0.03 0.00 2.01 0.00 0.00 34.83 35.96 1rwu s MET 85 CO 0.06 -0.26 -0.04 0.54 -0.01 0.00 0.00 175.02 175.31 1rwu s VAL 86 N -3.38 0.33 0.00 -6.03 0.11 -1.26 -0.04 120.40 110.14 1rwu s VAL 86 Ca 0.35 -1.50 0.00 0.00 -2.93 0.00 0.00 61.98 57.90 1rwu s VAL 86 Cb 0.07 -1.10 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 1rwu s VAL 86 CO 0.15 -0.76 0.00 -0.11 -3.33 0.00 0.00 175.10 171.05