#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rwu s LYS 2 N 0.00 3.88 -1.49 0.03 2.36 -1.24 -0.20 119.74 123.08 1rwu s LYS 2 Ca 0.00 1.99 -0.11 0.00 -2.55 0.00 0.00 55.97 55.31 1rwu s LYS 2 Cb 0.00 -2.63 0.07 0.00 -1.05 0.00 0.00 37.83 34.22 1rwu s LYS 2 CO 0.00 -0.51 0.90 2.41 1.55 0.00 0.00 175.35 179.70 1rwu n THR 3 N -0.10 -2.54 0.04 3.43 -1.04 -1.25 -4.65 114.28 108.18 1rwu n THR 3 Ca 0.05 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1rwu n THR 3 Cb 0.45 -3.00 0.00 0.00 -1.82 0.00 0.00 70.33 65.96 1rwu n THR 3 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1rwu n LYS 4 N -4.59 0.00 -0.09 -2.82 4.81 -1.19 -4.52 118.16 109.75 1rwu n LYS 4 Ca -0.04 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.23 1rwu n LYS 4 Cb 0.56 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.54 1rwu n LYS 4 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1rwu n LEU 5 N -2.41 1.87 -4.07 3.14 0.00 -0.71 -3.52 117.00 111.31 1rwu n LEU 5 Ca 0.00 0.12 -0.32 0.00 0.00 0.00 0.00 56.01 55.81 1rwu n LEU 5 Cb 0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 43.42 42.70 1rwu n LEU 5 CO 0.00 0.52 -0.47 0.20 0.00 0.00 0.00 177.39 177.64 1rwu s ASN 6 N -6.36 4.05 0.00 1.96 -0.87 0.71 -4.80 114.94 109.64 1rwu s ASN 6 Ca -0.25 -1.18 0.00 0.00 -1.57 0.00 0.00 52.86 49.85 1rwu s ASN 6 Cb 0.09 -1.49 0.00 0.00 -0.02 0.00 0.00 41.25 39.83 1rwu s ASN 6 CO 0.35 -0.15 0.00 -1.84 -2.57 0.00 0.00 177.10 172.90 1rwu n GLU 7 N 4.50 0.00 0.08 -0.60 0.00 -1.26 -3.60 120.64 119.76 1rwu n GLU 7 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 56.91 1rwu n GLU 7 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.83 1rwu n GLU 7 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1rwu h LEU 8 N 0.00 0.21 0.25 -1.84 -0.00 -1.99 -3.35 115.31 108.59 1rwu h LEU 8 Ca 0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 57.68 1rwu h LEU 8 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1rwu h LEU 8 CO 0.00 1.06 -0.12 -0.07 -0.00 0.00 0.00 178.44 179.30 1rwu h LEU 9 N 0.07 -0.29 0.04 1.67 4.07 -1.97 -3.47 115.31 115.43 1rwu h LEU 9 Ca -0.05 -0.10 -0.42 0.00 0.08 0.00 0.00 57.88 57.40 1rwu h LEU 9 Cb 1.65 0.07 0.04 0.00 1.08 0.00 0.00 40.66 43.50 1rwu h LEU 9 CO 0.14 0.20 -0.65 1.21 -1.08 0.00 0.00 178.44 178.26 1rwu n GLU 10 N -5.00 -5.61 -3.62 1.13 4.07 -1.26 -4.95 120.64 105.41 1rwu n GLU 10 Ca -0.06 0.76 -0.40 0.00 -0.06 0.00 0.00 57.16 57.40 1rwu n GLU 10 Cb 0.19 -5.66 -0.11 0.00 -0.06 0.00 0.00 31.44 25.80 1rwu n GLU 10 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 1rwu s PHE 11 N -3.20 3.26 -0.39 4.31 5.36 -1.25 -4.98 117.98 121.08 1rwu s PHE 11 Ca 0.47 -1.12 -0.28 0.00 -0.96 0.00 0.00 56.93 55.04 1rwu s PHE 11 Cb -0.22 -2.50 -0.01 0.00 -0.34 0.00 0.00 43.02 39.95 1rwu s PHE 11 CO 0.58 -0.69 1.67 -1.25 -1.46 0.00 0.00 175.22 174.07 1rwu s PRO 12 N 1.51 3.33 -0.00 10.12 0.04 -1.26 -4.17 135.00 144.57 1rwu s PRO 12 Ca 0.01 1.15 0.03 0.00 0.04 0.00 0.00 61.00 62.23 1rwu s PRO 12 Cb -0.20 -4.16 -0.03 0.00 0.04 0.00 0.00 34.50 30.14 1rwu s PRO 12 CO 0.05 -1.87 -0.06 -0.08 0.04 0.00 0.00 177.00 175.09 1rwu s THR 13 N 6.65 3.74 -0.17 1.26 -1.32 -0.87 -4.89 115.64 120.03 1rwu s THR 13 Ca 0.72 -0.73 -0.29 0.00 -1.21 0.00 0.00 61.69 60.18 1rwu s THR 13 Cb -0.18 -2.63 -0.03 0.00 -1.51 0.00 0.00 72.50 68.15 1rwu s THR 13 CO 0.32 0.40 1.48 -2.16 -2.21 0.00 0.00 174.62 172.45 1rwu s PRO 14 N -1.41 4.04 -0.52 7.08 0.04 -1.26 -3.39 135.00 139.59 1rwu s PRO 14 Ca 0.17 1.75 -0.13 0.00 0.04 0.00 0.00 61.00 62.83 1rwu s PRO 14 Cb -0.11 -3.92 0.13 0.00 0.04 0.00 0.00 34.50 30.64 1rwu s PRO 14 CO 0.08 -0.98 0.43 -0.06 0.04 0.00 0.00 177.00 176.51 1rwu s PHE 15 N 4.27 3.35 -0.89 0.56 0.08 0.76 -4.95 117.98 121.16 1rwu s PHE 15 Ca 0.65 -1.59 -0.25 0.00 0.12 0.00 0.00 56.93 55.86 1rwu s PHE 15 Cb -0.25 -3.66 0.01 0.00 -0.57 0.00 0.00 43.02 38.55 1rwu s PHE 15 CO 0.24 -1.01 1.63 0.99 -0.10 0.00 0.00 175.22 176.97 1rwu s THR 16 N 1.44 3.67 -0.41 0.64 2.01 -1.26 -2.47 115.64 119.25 1rwu s THR 16 Ca 0.05 -0.32 -0.13 0.00 0.31 0.00 0.00 61.69 61.60 1rwu s THR 16 Cb -0.28 -4.57 0.05 0.00 0.01 0.00 0.00 72.50 67.71 1rwu s THR 16 CO 0.01 -1.49 0.28 -0.31 -0.69 0.00 0.00 174.62 172.42 1rwu s TYR 17 N 7.19 3.26 -1.01 4.92 1.51 -1.00 -4.84 117.35 127.38 1rwu s TYR 17 Ca 0.54 -0.97 -0.23 0.00 -1.01 0.00 0.00 57.07 55.41 1rwu s TYR 17 Cb -0.05 -2.74 0.03 0.00 -0.11 0.00 0.00 41.96 39.10 1rwu s TYR 17 CO 0.01 -0.71 1.54 0.15 -1.11 0.00 0.00 175.55 175.43 1rwu s LYS 18 N 1.58 3.43 -0.82 -0.62 -0.14 -1.26 -0.40 119.74 121.51 1rwu s LYS 18 Ca 0.03 -1.01 -0.26 0.00 -1.36 0.00 0.00 55.97 53.38 1rwu s LYS 18 Cb -0.21 -5.32 0.03 0.00 -1.68 0.00 0.00 37.83 30.65 1rwu s LYS 18 CO 0.07 -2.41 1.42 0.08 -0.76 0.00 0.00 175.35 173.75 1rwu s VAL 19 N 5.81 3.73 0.11 3.17 1.01 0.33 0.10 120.40 134.66 1rwu s VAL 19 Ca 0.50 -0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 1rwu s VAL 19 Cb -0.01 -4.83 -0.05 0.00 0.00 0.00 0.00 36.38 31.49 1rwu s VAL 19 CO -0.08 -1.75 0.31 -0.04 0.00 0.00 0.00 175.10 173.54 1rwu s MET 20 N 5.69 3.55 0.00 2.72 1.00 0.11 -1.54 119.30 130.83 1rwu s MET 20 Ca 0.43 -0.21 0.00 0.00 0.00 0.00 0.00 55.69 55.91 1rwu s MET 20 Cb -0.06 -2.93 0.00 0.00 0.00 0.00 0.00 34.83 31.84 1rwu s MET 20 CO 0.07 0.53 0.00 0.41 0.00 0.00 0.00 175.02 176.03 1rwu n GLY 21 N 0.21 -0.64 3.82 -0.03 0.00 -0.82 -0.33 105.19 107.40 1rwu n GLY 21 Ca -0.04 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.98 4.08 -0.78 1.61 2.00 -0.81 -0.96 119.66 123.82 1rwu s GLN 22 Ca 0.00 1.10 -0.26 0.00 -2.00 0.00 0.00 55.36 54.20 1rwu s GLN 22 Cb 0.00 -2.15 0.01 0.00 0.80 0.00 0.00 33.01 31.67 1rwu s GLN 22 CO 0.00 -0.16 1.54 0.00 -0.50 0.00 0.00 175.29 176.17 1rwu s ALA 23 N -2.30 2.47 0.15 1.58 0.00 0.75 -4.38 121.76 120.03 1rwu s ALA 23 Ca 0.62 -1.37 0.07 0.00 0.00 0.00 0.00 51.96 51.28 1rwu s ALA 23 Cb -0.10 -4.36 -0.04 0.00 0.00 0.00 0.00 23.12 18.62 1rwu s ALA 23 CO 0.20 -3.68 -0.16 -0.51 0.00 0.00 0.00 175.76 171.61 1rwu s LEU 24 N 6.95 2.44 0.45 0.00 1.02 -1.26 -4.96 118.68 123.31 1rwu s LEU 24 Ca 0.49 -0.86 0.25 0.00 0.02 0.00 0.00 54.13 54.04 1rwu s LEU 24 Cb -0.08 -0.67 0.89 0.00 0.02 0.00 0.00 46.19 46.36 1rwu s LEU 24 CO 0.10 -0.11 1.81 1.55 0.02 0.00 0.00 176.35 179.72 1rwu h PRO 25 N 3.30 0.00 0.00 1.29 0.13 -2.04 -2.98 132.00 131.69 1rwu h PRO 25 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1rwu h PRO 25 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1rwu h PRO 25 CO 0.52 0.19 0.00 1.49 -0.23 0.00 0.00 178.00 179.97 1rwu h GLU 26 N 0.00 0.00 0.30 0.86 4.22 -1.98 -3.18 114.58 114.79 1rwu h GLU 26 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1rwu h GLU 26 Cb 0.77 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1rwu h GLU 26 CO 0.02 0.00 -0.19 -0.07 -2.18 0.00 0.00 179.01 176.60 1rwu h LEU 27 N 0.00 -0.47 -1.74 1.64 -0.00 -1.84 -0.42 115.31 112.48 1rwu h LEU 27 Ca 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.88 1rwu h LEU 27 Cb 0.47 0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.26 1rwu h LEU 27 CO 0.00 -0.29 -0.14 1.62 -0.00 0.00 0.00 178.44 179.63 1rwu h VAL 28 N -0.46 1.05 0.60 1.22 3.04 -1.79 -0.52 116.25 119.40 1rwu h VAL 28 Ca -0.04 -0.49 -0.03 0.00 -1.01 0.00 0.00 66.70 65.13 1rwu h VAL 28 Cb 0.37 1.27 0.01 0.00 -2.01 0.00 0.00 31.29 30.92 1rwu h VAL 28 CO 0.04 0.14 -0.29 -0.78 -1.01 0.00 0.00 177.57 175.67 1rwu h ASP 29 N 0.00 -0.68 0.44 3.17 3.58 -1.49 -2.50 116.42 118.93 1rwu h ASP 29 Ca -0.00 -0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.32 1rwu h ASP 29 Cb 0.26 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1rwu h ASP 29 CO 0.02 -0.35 -0.46 -0.61 -2.88 0.00 0.00 179.24 174.96 1rwu h GLN 30 N -1.04 0.03 0.45 0.28 5.75 -1.00 -2.23 115.11 117.35 1rwu h GLN 30 Ca -0.08 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 1rwu h GLN 30 Cb 0.67 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.23 1rwu h GLN 30 CO 0.14 0.49 -0.22 0.28 -2.65 0.00 0.00 178.83 176.86 1rwu h VAL 31 N 0.03 0.54 -0.09 2.39 2.07 -1.05 0.30 116.25 120.44 1rwu h VAL 31 Ca -0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1rwu h VAL 31 Cb 0.83 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1rwu h VAL 31 CO 0.06 0.00 -0.53 1.62 0.02 0.00 0.00 177.57 178.75 1rwu h VAL 32 N -0.61 1.36 0.05 2.57 3.04 -1.45 -1.94 116.25 119.25 1rwu h VAL 32 Ca -0.06 -1.80 -0.00 0.00 -1.01 0.00 0.00 66.70 63.83 1rwu h VAL 32 Cb 0.48 1.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1rwu h VAL 32 CO 0.09 0.53 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.83 1rwu h GLU 33 N 0.20 -0.06 0.00 4.17 5.08 -1.25 -2.14 114.58 120.58 1rwu h GLU 33 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1rwu h GLU 33 Cb 0.99 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1rwu h GLU 33 CO 0.08 0.54 -0.31 -0.24 -1.00 0.00 0.00 179.01 178.09 1rwu h VAL 34 N -0.74 1.15 0.05 3.13 3.04 -0.47 -1.65 116.25 120.75 1rwu h VAL 34 Ca -0.01 -1.09 -0.24 0.00 -1.01 0.00 0.00 66.70 64.36 1rwu h VAL 34 Cb 0.63 1.60 -0.02 0.00 -2.01 0.00 0.00 31.29 31.49 1rwu h VAL 34 CO 0.01 0.30 -1.10 1.62 -1.01 0.00 0.00 177.57 177.39 1rwu h VAL 35 N 0.00 1.63 0.00 1.51 3.04 -1.41 -3.06 116.25 117.95 1rwu h VAL 35 Ca -0.00 -3.28 -0.04 0.00 -1.01 0.00 0.00 66.70 62.36 1rwu h VAL 35 Cb 0.57 2.88 -0.01 0.00 -2.01 0.00 0.00 31.29 32.73 1rwu h VAL 35 CO 0.04 0.94 -0.42 0.06 -1.01 0.00 0.00 177.57 177.18 1rwu h GLN 36 N 0.03 0.00 0.17 4.17 3.07 -1.20 -0.79 115.11 120.56 1rwu h GLN 36 Ca -0.06 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.41 1rwu h GLN 36 Cb 1.85 0.00 0.03 0.00 0.08 0.00 0.00 27.48 29.44 1rwu h GLN 36 CO 0.16 0.17 -1.15 0.00 0.09 0.00 0.00 178.83 178.10 1rwu h ARG 37 N 0.00 0.47 0.03 0.06 3.08 -1.37 -3.40 114.38 113.27 1rwu h ARG 37 Ca -0.01 -0.74 -0.38 0.00 0.07 0.00 0.00 59.98 58.92 1rwu h ARG 37 Cb 1.16 0.27 -0.05 0.00 0.08 0.00 0.00 29.97 31.42 1rwu h ARG 37 CO 0.02 1.34 -2.19 0.72 -1.07 0.00 0.00 179.97 178.80 1rwu n HIS 38 N -3.91 0.49 -3.81 3.04 8.25 -1.16 -4.95 115.22 113.18 1rwu n HIS 38 Ca -0.15 0.14 -0.31 0.00 -0.26 0.00 0.00 57.72 57.14 1rwu n HIS 38 Cb 0.96 -1.06 -0.04 0.00 1.12 0.00 0.00 29.99 30.97 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 -2.51 3.91 0.29 -1.41 0.00 -0.30 -5.00 121.76 116.74 1rwu s ALA 39 Ca -0.32 -0.74 -0.29 0.00 0.00 0.00 0.00 51.96 50.61 1rwu s ALA 39 Cb 0.09 -1.95 -0.10 0.00 0.00 0.00 0.00 23.12 21.16 1rwu s ALA 39 CO 0.62 0.72 1.13 -1.25 0.00 0.00 0.00 175.76 176.98 1rwu s PRO 40 N -2.67 4.60 0.00 0.00 0.04 -1.26 -4.01 135.00 131.69 1rwu s PRO 40 Ca 0.38 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1rwu s PRO 40 Cb -0.12 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1rwu s PRO 40 CO 0.27 0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.87 1rwu n GLY 41 N 1.13 -2.07 3.89 0.56 0.00 -1.26 -4.83 105.19 102.60 1rwu n GLY 41 Ca -0.01 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.95 6.54 0.33 1.61 1.11 -1.26 -4.08 116.67 117.96 1rwu s ASP 42 Ca 0.00 0.66 0.04 0.00 0.18 0.00 0.00 52.55 53.43 1rwu s ASP 42 Cb 0.00 -2.12 -0.03 0.00 1.07 0.00 0.00 42.92 41.84 1rwu s ASP 42 CO 0.00 0.09 0.17 -0.31 1.18 0.00 0.00 175.17 176.30 1rwu s TYR 43 N -1.57 1.67 0.05 4.23 2.02 -1.26 -5.01 117.35 117.48 1rwu s TYR 43 Ca 0.38 -1.39 -0.04 0.00 -0.37 0.00 0.00 57.07 55.65 1rwu s TYR 43 Cb -0.13 -0.91 -0.02 0.00 -0.40 0.00 0.00 41.96 40.51 1rwu s TYR 43 CO 0.22 -0.52 0.06 0.99 -1.57 0.00 0.00 175.55 174.73 1rwu s THR 44 N -3.49 0.17 -0.30 -0.71 2.01 -1.26 -3.94 115.64 108.12 1rwu s THR 44 Ca 0.34 -1.41 -0.15 0.00 0.31 0.00 0.00 61.69 60.77 1rwu s THR 44 Cb 0.04 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1rwu s THR 44 CO 0.18 -0.78 0.37 -2.16 -0.69 0.00 0.00 174.62 171.54 1rwu s PRO 45 N -3.42 3.85 -0.57 4.92 0.04 -1.26 -2.76 135.00 135.81 1rwu s PRO 45 Ca 0.02 -0.13 -0.28 0.00 0.04 0.00 0.00 61.00 60.65 1rwu s PRO 45 Cb 0.04 -3.71 0.01 0.00 0.04 0.00 0.00 34.50 30.88 1rwu s PRO 45 CO -0.08 -0.37 1.42 0.99 0.04 0.00 0.00 177.00 179.00 1rwu s THR 46 N 2.06 3.77 0.32 1.26 2.01 0.12 -4.56 115.64 120.62 1rwu s THR 46 Ca 0.14 0.64 -0.27 0.00 0.31 0.00 0.00 61.69 62.51 1rwu s THR 46 Cb -0.16 -4.44 -0.09 0.00 0.01 0.00 0.00 72.50 67.82 1rwu s THR 46 CO 0.11 -1.19 1.04 0.54 -0.69 0.00 0.00 174.62 174.43 1rwu s VAL 47 N 6.14 3.74 -0.05 3.82 0.11 -1.26 -0.78 120.40 132.12 1rwu s VAL 47 Ca 0.52 1.57 -0.03 0.00 -2.93 0.00 0.00 61.98 61.11 1rwu s VAL 47 Cb -0.11 -3.93 0.02 0.00 -1.53 0.00 0.00 36.38 30.84 1rwu s VAL 47 CO 0.24 0.23 0.11 -0.54 -3.33 0.00 0.00 175.10 171.82 1rwu s LYS 48 N -1.84 0.10 -0.61 1.54 3.01 -0.28 -4.92 119.74 116.75 1rwu s LYS 48 Ca 0.49 0.22 -0.27 0.00 -1.01 0.00 0.00 55.97 55.41 1rwu s LYS 48 Cb -0.26 -0.04 -0.01 0.00 -1.01 0.00 0.00 37.83 36.51 1rwu s LYS 48 CO 0.33 -0.08 1.67 -1.25 0.51 0.00 0.00 175.35 176.53 1rwu s PRO 49 N 0.50 2.89 -0.19 -1.68 0.04 -1.26 -2.16 135.00 133.15 1rwu s PRO 49 Ca -0.04 0.47 -0.22 0.00 0.04 0.00 0.00 61.00 61.25 1rwu s PRO 49 Cb -0.05 -4.29 -0.19 0.00 0.04 0.00 0.00 34.50 30.01 1rwu s PRO 49 CO -0.02 -2.43 0.29 0.77 0.04 0.00 0.00 177.00 175.65 1rwu h SER 50 N 13.21 0.00 0.00 6.66 0.02 -1.92 -3.46 113.55 128.06 1rwu h SER 50 Ca -0.27 -0.56 -0.00 0.00 -0.84 0.00 0.00 61.79 60.12 1rwu h SER 50 Cb 1.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 1rwu h SER 50 CO 1.21 1.31 -0.27 -1.20 -1.14 0.00 0.00 176.83 176.74 1rwu n SER 51 N -4.49 0.85 -3.00 3.07 7.64 -1.26 -5.13 113.62 111.29 1rwu n SER 51 Ca -0.25 0.11 -0.15 0.00 1.01 0.00 0.00 58.87 59.59 1rwu n SER 51 Cb 0.59 -0.26 -0.04 0.00 -1.01 0.00 0.00 64.21 63.49 1rwu n SER 51 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1rwu n LYS 52 N -3.39 0.63 0.09 1.43 4.81 -1.26 -5.04 118.16 115.44 1rwu n LYS 52 Ca -0.00 -2.85 -0.03 0.00 -0.87 0.00 0.00 58.31 54.56 1rwu n LYS 52 Cb 0.13 2.65 0.21 0.00 0.02 0.00 0.00 35.03 38.04 1rwu n LYS 52 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1rwu h GLY 53 N 1.95 0.26 1.53 3.14 0.00 -2.00 -2.97 103.07 104.97 1rwu h GLY 53 Ca -0.26 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 1rwu h GLY 53 CO 0.36 0.23 0.03 -0.57 0.00 0.00 0.00 176.54 176.59 1rwu h ASN 54 N 0.19 0.55 -3.53 0.19 -0.73 -1.96 -3.41 115.58 106.89 1rwu h ASN 54 Ca 0.01 -0.10 -0.66 0.00 1.87 0.00 0.00 56.30 57.43 1rwu h ASN 54 Cb 0.87 -0.14 -0.25 0.00 0.27 0.00 0.00 38.32 39.06 1rwu h ASN 54 CO 0.07 0.60 -0.67 -0.47 -0.37 0.00 0.00 177.43 176.59 1rwu s TYR 55 N -5.03 3.04 -0.07 0.67 6.14 -1.12 -0.18 117.35 120.79 1rwu s TYR 55 Ca -0.08 -0.73 0.04 0.00 0.64 0.00 0.00 57.07 56.95 1rwu s TYR 55 Cb 0.15 -2.18 -0.02 0.00 0.42 0.00 0.00 41.96 40.34 1rwu s TYR 55 CO 0.77 -0.47 -0.20 -1.01 0.64 0.00 0.00 175.55 175.28 1rwu s HIS 56 N 1.54 2.58 -0.43 4.97 3.76 -0.14 -4.11 115.29 123.46 1rwu s HIS 56 Ca 0.06 -0.55 -0.07 0.00 -0.15 0.00 0.00 55.06 54.35 1rwu s HIS 56 Cb -0.15 -1.65 0.10 0.00 1.11 0.00 0.00 32.58 31.99 1rwu s HIS 56 CO 0.00 -0.10 0.26 -1.12 -0.85 0.00 0.00 174.74 172.93 1rwu s SER 57 N -0.23 5.53 0.02 1.40 0.01 -0.92 -1.95 113.70 117.56 1rwu s SER 57 Ca -0.01 -1.74 -0.00 0.00 1.31 0.00 0.00 55.95 55.52 1rwu s SER 57 Cb -0.13 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 1rwu s SER 57 CO 0.03 -0.57 0.10 0.68 0.41 0.00 0.00 173.24 173.89 1rwu s VAL 58 N 1.33 4.84 -0.30 3.43 -7.23 -0.59 -1.12 120.40 120.76 1rwu s VAL 58 Ca 0.05 -0.44 -0.06 0.00 -1.81 0.00 0.00 61.98 59.71 1rwu s VAL 58 Cb -0.24 -3.25 0.01 0.00 0.56 0.00 0.00 36.38 33.46 1rwu s VAL 58 CO -0.00 0.29 0.07 -0.55 -0.31 0.00 0.00 175.10 174.60 1rwu s SER 59 N -1.96 5.10 -0.09 4.85 0.15 0.04 0.12 113.70 121.91 1rwu s SER 59 Ca 0.26 -0.78 -0.16 0.00 0.70 0.00 0.00 55.95 55.96 1rwu s SER 59 Cb -0.12 -1.86 -0.05 0.00 -1.71 0.00 0.00 66.02 62.28 1rwu s SER 59 CO 0.17 -0.21 0.42 -0.51 1.20 0.00 0.00 173.24 174.32 1rwu s ILE 60 N 1.47 5.16 -0.30 6.45 2.07 0.46 0.14 121.20 136.66 1rwu s ILE 60 Ca 0.02 0.84 -0.23 0.00 -1.41 0.00 0.00 60.65 59.87 1rwu s ILE 60 Cb -0.17 -3.75 -0.00 0.00 0.13 0.00 0.00 42.46 38.66 1rwu s ILE 60 CO 0.02 0.41 0.78 -0.89 -1.91 0.00 0.00 174.94 173.35 1rwu s THR 61 N 0.12 4.80 -0.11 4.00 2.01 -1.11 -2.37 115.64 122.98 1rwu s THR 61 Ca 0.23 1.19 0.01 0.00 0.31 0.00 0.00 61.69 63.44 1rwu s THR 61 Cb -0.15 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 1rwu s THR 61 CO 0.10 -0.23 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.03 1rwu s ILE 62 N 2.93 3.02 -0.86 1.82 -1.09 -1.03 -4.55 121.20 121.44 1rwu s ILE 62 Ca 0.32 -0.69 0.01 0.00 -2.23 0.00 0.00 60.65 58.06 1rwu s ILE 62 Cb -0.14 -2.24 0.32 0.00 -1.58 0.00 0.00 42.46 38.82 1rwu s ILE 62 CO 0.12 0.54 1.41 -3.20 -1.23 0.00 0.00 174.94 172.59 1rwu n ASN 63 N 3.17 6.02 -4.76 3.58 5.15 -1.26 -0.17 115.26 126.98 1rwu n ASN 63 Ca -0.18 -3.64 -0.38 0.00 -0.60 0.00 0.00 54.58 49.79 1rwu n ASN 63 Cb 0.53 -0.94 -0.06 0.00 -0.53 0.00 0.00 39.78 38.77 1rwu n ASN 63 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rwu s ALA 64 N -3.72 3.54 -0.16 5.20 0.00 -1.22 -4.25 121.76 121.16 1rwu s ALA 64 Ca 0.41 -0.15 0.29 0.00 0.00 0.00 0.00 51.96 52.51 1rwu s ALA 64 Cb 0.20 -2.59 1.18 0.00 0.00 0.00 0.00 23.12 21.91 1rwu s ALA 64 CO -0.09 0.17 1.87 1.79 0.00 0.00 0.00 175.76 179.49 1rwu h THR 65 N 4.31 0.00 -3.22 0.00 1.35 -1.79 -2.32 112.91 111.24 1rwu h THR 65 Ca -0.45 -0.42 -0.37 0.00 -0.55 0.00 0.00 66.41 64.62 1rwu h THR 65 Cb 1.19 1.32 -0.15 0.00 -1.73 0.00 0.00 68.15 68.78 1rwu h THR 65 CO 0.70 0.00 -0.72 -2.28 -0.25 0.00 0.00 175.52 172.97 1rwu s HIS 66 N -3.51 1.42 -0.40 4.73 2.46 -1.23 -3.74 115.29 115.02 1rwu s HIS 66 Ca 0.03 -0.69 0.27 0.00 0.47 0.00 0.00 55.06 55.13 1rwu s HIS 66 Cb 0.09 -0.70 0.91 0.00 -0.13 0.00 0.00 32.58 32.75 1rwu s HIS 66 CO 0.49 0.18 1.78 0.97 -2.47 0.00 0.00 174.74 175.68 1rwu h ILE 67 N 2.72 0.00 0.01 0.89 2.10 -1.87 -3.09 117.51 118.27 1rwu h ILE 67 Ca -0.37 -0.51 -0.21 0.00 1.08 0.00 0.00 64.86 64.84 1rwu h ILE 67 Cb 1.20 1.43 -0.03 0.00 -1.09 0.00 0.00 36.82 38.33 1rwu h ILE 67 CO 0.63 0.00 -1.01 -0.08 -1.08 0.00 0.00 178.15 176.61 1rwu h GLU 68 N 0.00 0.01 -0.13 2.19 4.22 -1.86 -3.05 114.58 115.96 1rwu h GLU 68 Ca 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.40 1rwu h GLU 68 Cb 0.62 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1rwu h GLU 68 CO 0.00 1.01 0.01 0.37 -2.18 0.00 0.00 179.01 178.22 1rwu h GLN 69 N 0.00 0.23 0.00 1.92 4.15 -1.68 -2.51 115.11 117.22 1rwu h GLN 69 Ca -0.02 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 1rwu h GLN 69 Cb 1.77 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.43 1rwu h GLN 69 CO 0.13 0.44 -0.33 -0.24 -1.93 0.00 0.00 178.83 176.90 1rwu h VAL 70 N -0.02 1.12 0.24 2.39 3.04 -1.67 -2.05 116.25 119.30 1rwu h VAL 70 Ca 0.04 -1.17 -0.01 0.00 -1.01 0.00 0.00 66.70 64.55 1rwu h VAL 70 Cb 0.33 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1rwu h VAL 70 CO 0.00 0.32 -0.11 -0.08 -1.01 0.00 0.00 177.57 176.69 1rwu h GLU 71 N 0.00 -0.31 -0.46 4.17 4.22 -1.39 -1.25 114.58 119.56 1rwu h GLU 71 Ca -0.00 0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.42 1rwu h GLU 71 Cb 0.62 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1rwu h GLU 71 CO 0.04 -0.06 0.11 1.79 -2.18 0.00 0.00 179.01 178.72 1rwu h THR 72 N -0.53 1.20 -0.91 0.32 1.35 -1.38 -2.15 112.91 110.81 1rwu h THR 72 Ca -0.03 -0.71 -0.01 0.00 -0.55 0.00 0.00 66.41 65.11 1rwu h THR 72 Cb 0.39 0.73 -0.04 0.00 -1.73 0.00 0.00 68.15 67.50 1rwu h THR 72 CO 0.05 0.26 0.55 -0.07 -0.25 0.00 0.00 175.52 176.06 1rwu h LEU 73 N 0.66 1.10 -0.10 3.87 4.07 -1.16 0.97 115.31 124.73 1rwu h LEU 73 Ca 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1rwu h LEU 73 Cb 0.25 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 1rwu h LEU 73 CO -0.00 0.84 0.03 0.22 -1.08 0.00 0.00 178.44 178.45 1rwu h TYR 74 N 1.26 0.16 -0.56 1.13 3.20 -0.59 -1.38 116.97 120.18 1rwu h TYR 74 Ca 0.33 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.15 1rwu h TYR 74 Cb -0.05 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 1rwu h TYR 74 CO 0.01 0.29 0.20 0.93 -1.64 0.00 0.00 178.16 177.95 1rwu h GLU 75 N -0.02 0.82 -0.18 1.82 5.08 -1.06 0.34 114.58 121.37 1rwu h GLU 75 Ca 0.03 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1rwu h GLU 75 Cb 0.21 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1rwu h GLU 75 CO -0.00 0.69 0.03 0.93 -1.00 0.00 0.00 179.01 179.66 1rwu h GLU 76 N 0.81 0.30 0.00 2.33 5.08 -0.56 -2.54 114.58 119.99 1rwu h GLU 76 Ca 0.19 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.31 1rwu h GLU 76 Cb 0.19 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1rwu h GLU 76 CO -0.01 0.45 -0.77 1.37 -1.00 0.00 0.00 179.01 179.05 1rwu h LEU 77 N 0.09 0.00 -4.77 1.33 8.10 -1.06 -3.27 115.31 115.74 1rwu h LEU 77 Ca 0.06 0.00 -0.73 0.00 0.11 0.00 0.00 57.88 57.31 1rwu h LEU 77 Cb 0.30 0.00 -0.29 0.00 -0.44 0.00 0.00 40.66 40.23 1rwu h LEU 77 CO 0.00 0.77 0.83 0.61 -4.11 0.00 0.00 178.44 176.54 1rwu n GLY 78 N 0.88 5.64 0.76 0.17 0.00 0.12 -4.50 105.19 108.27 1rwu n GLY 78 Ca -0.00 -2.48 0.08 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.60 1.88 -1.94 1.61 4.81 -0.97 -4.81 118.16 118.15 1rwu n LYS 79 Ca 0.54 -1.80 -0.34 0.00 -0.87 0.00 0.00 58.31 55.84 1rwu n LYS 79 Cb 0.36 -1.34 0.03 0.00 0.02 0.00 0.00 35.03 34.09 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 -1.21 3.19 0.50 3.15 1.09 -1.26 -4.91 121.20 121.75 1rwu s ILE 80 Ca 0.25 0.62 0.25 0.00 -1.10 0.00 0.00 60.65 60.67 1rwu s ILE 80 Cb 0.15 -3.16 0.30 0.00 -1.06 0.00 0.00 42.46 38.68 1rwu s ILE 80 CO 0.21 -0.28 2.14 -0.78 -0.10 0.00 0.00 174.94 176.14 1rwu h ASP 81 N 0.46 0.00 -3.29 3.58 1.82 -2.01 -3.44 116.42 113.54 1rwu h ASP 81 Ca -0.48 0.00 -0.41 0.00 -0.39 0.00 0.00 57.03 55.75 1rwu h ASP 81 Cb 1.25 0.00 0.20 0.00 0.68 0.00 0.00 39.33 41.47 1rwu h ASP 81 CO 0.55 0.07 0.01 -0.51 -1.61 0.00 0.00 179.24 177.75 1rwu s ILE 82 N -4.55 1.63 -0.07 2.25 1.10 -1.26 -4.86 121.20 115.43 1rwu s ILE 82 Ca -0.04 0.00 -0.29 0.00 -0.51 0.00 0.00 60.65 59.80 1rwu s ILE 82 Cb 0.15 -2.21 -0.06 0.00 0.15 0.00 0.00 42.46 40.49 1rwu s ILE 82 CO 0.60 0.00 1.86 -0.69 -2.11 0.00 0.00 174.94 174.60 1rwu s VAL 83 N -2.56 3.29 -0.07 4.00 1.01 -1.26 -4.92 120.40 119.89 1rwu s VAL 83 Ca 0.69 0.34 0.05 0.00 0.00 0.00 0.00 61.98 63.05 1rwu s VAL 83 Cb -0.17 -3.26 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 1rwu s VAL 83 CO 0.60 -0.07 -0.22 0.00 0.00 0.00 0.00 175.10 175.40 1rwu s ARG 84 N 4.69 2.51 0.14 2.72 1.70 -1.26 -1.92 118.95 127.53 1rwu s ARG 84 Ca 0.83 -0.79 -0.17 0.00 -0.47 0.00 0.00 55.73 55.13 1rwu s ARG 84 Cb -0.35 -2.03 0.04 0.00 -0.57 0.00 0.00 34.95 32.03 1rwu s ARG 84 CO 0.35 0.25 0.42 1.41 -1.08 0.00 0.00 175.30 176.65 1rwu s MET 85 N 0.14 1.12 0.05 3.89 1.75 0.55 -4.97 119.30 121.82 1rwu s MET 85 Ca -0.10 -0.71 -0.03 0.00 -1.25 0.00 0.00 55.69 53.60 1rwu s MET 85 Cb -0.15 0.48 -0.03 0.00 2.84 0.00 0.00 34.83 37.97 1rwu s MET 85 CO 0.05 -0.44 0.02 0.54 -0.65 0.00 0.00 175.02 174.54 1rwu s VAL 86 N -3.81 0.18 0.00 10.11 0.11 -1.25 0.06 120.40 125.79 1rwu s VAL 86 Ca 0.04 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 57.64 1rwu s VAL 86 Cb 0.01 -1.16 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 1rwu s VAL 86 CO -0.11 -0.80 0.00 0.18 -3.33 0.00 0.00 175.10 171.04