#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 1.46 -4.21 2.12 2.85 -1.26 -4.99 118.16 114.12 1rwu n LYS 2 Ca 0.00 -1.17 -0.12 0.00 -1.05 0.00 0.00 58.31 55.97 1rwu n LYS 2 Cb 0.00 0.24 -0.10 0.00 -0.65 0.00 0.00 35.03 34.52 1rwu n LYS 2 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1rwu s THR 3 N -1.31 0.56 0.05 0.58 -1.32 -1.26 -5.04 115.64 107.89 1rwu s THR 3 Ca 0.04 -1.96 0.00 0.00 -1.21 0.00 0.00 61.69 58.56 1rwu s THR 3 Cb -0.00 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.94 1rwu s THR 3 CO 0.02 -0.53 0.00 1.17 -2.21 0.00 0.00 174.62 173.08 1rwu n LYS 4 N -0.18 -3.78 -2.43 7.08 4.81 -1.26 -4.92 118.16 117.48 1rwu n LYS 4 Ca -0.07 2.87 -0.41 0.00 -0.87 0.00 0.00 58.31 59.83 1rwu n LYS 4 Cb 0.63 -3.41 -0.04 0.00 0.02 0.00 0.00 35.03 32.23 1rwu n LYS 4 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1rwu s LEU 5 N -0.41 4.49 -0.07 3.14 0.05 -1.26 -4.74 118.68 119.88 1rwu s LEU 5 Ca 0.00 2.23 -0.05 0.00 0.05 0.00 0.00 54.13 56.36 1rwu s LEU 5 Cb 0.00 -3.61 0.02 0.00 -2.05 0.00 0.00 46.19 40.55 1rwu s LEU 5 CO 0.00 -0.27 0.18 0.54 -0.55 0.00 0.00 176.35 176.25 1rwu s ASN 6 N -0.28 -0.18 0.00 1.48 4.22 -1.26 -4.96 114.94 113.96 1rwu s ASN 6 Ca 0.49 0.36 0.18 0.00 -2.14 0.00 0.00 52.86 51.75 1rwu s ASN 6 Cb -0.32 0.33 0.04 0.00 1.28 0.00 0.00 41.25 42.58 1rwu s ASN 6 CO 0.38 -0.09 0.96 -0.62 -2.04 0.00 0.00 177.10 175.70 1rwu n GLU 7 N 3.36 1.58 -0.00 3.55 -0.58 -1.26 -3.82 120.64 123.46 1rwu n GLU 7 Ca -0.17 -1.09 -0.17 0.00 -0.42 0.00 0.00 57.16 55.31 1rwu n GLU 7 Cb 0.57 -1.33 -0.14 0.00 -0.57 0.00 0.00 31.44 29.97 1rwu n GLU 7 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1rwu n LEU 8 N 0.27 2.01 -0.08 -4.62 7.99 -1.26 -4.49 117.00 116.81 1rwu n LEU 8 Ca 0.08 0.28 -0.21 0.00 -0.01 0.00 0.00 56.01 56.15 1rwu n LEU 8 Cb 0.40 -0.66 -0.12 0.00 -0.11 0.00 0.00 43.42 42.93 1rwu n LEU 8 CO 0.18 0.69 -0.51 -0.07 -1.51 0.00 0.00 177.39 176.18 1rwu h LEU 9 N 0.05 0.08 -2.83 2.23 4.07 -1.97 -3.49 115.31 113.44 1rwu h LEU 9 Ca -0.38 -0.61 -0.21 0.00 0.08 0.00 0.00 57.88 56.76 1rwu h LEU 9 Cb 2.03 -0.03 0.04 0.00 1.08 0.00 0.00 40.66 43.78 1rwu h LEU 9 CO 0.08 1.52 -0.50 1.21 -1.08 0.00 0.00 178.44 179.67 1rwu n GLU 10 N -4.29 -1.46 -3.43 1.13 4.07 -1.25 -4.95 120.64 110.46 1rwu n GLU 10 Ca -0.31 1.08 -0.38 0.00 -0.06 0.00 0.00 57.16 57.50 1rwu n GLU 10 Cb 0.73 -4.72 -0.08 0.00 -0.06 0.00 0.00 31.44 27.31 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 -3.12 3.34 -0.30 4.31 5.36 -0.95 -4.88 117.98 121.74 1rwu s PHE 11 Ca 0.14 0.51 -0.29 0.00 -0.96 0.00 0.00 56.93 56.33 1rwu s PHE 11 Cb -0.04 -2.49 -0.01 0.00 -0.34 0.00 0.00 43.02 40.14 1rwu s PHE 11 CO 0.80 -0.04 1.60 -1.25 -1.46 0.00 0.00 175.22 174.87 1rwu s PRO 12 N 1.42 3.62 0.05 10.12 0.04 -1.26 -4.12 135.00 144.87 1rwu s PRO 12 Ca 0.16 1.40 0.07 0.00 0.04 0.00 0.00 61.00 62.68 1rwu s PRO 12 Cb -0.15 -4.07 -0.03 0.00 0.04 0.00 0.00 34.50 30.30 1rwu s PRO 12 CO 0.08 -1.51 -0.21 -0.08 0.04 0.00 0.00 177.00 175.32 1rwu s THR 13 N 5.69 1.66 -0.13 1.26 -1.32 -0.82 -4.90 115.64 117.08 1rwu s THR 13 Ca 0.71 -1.25 -0.29 0.00 -1.21 0.00 0.00 61.69 59.64 1rwu s THR 13 Cb -0.21 -1.45 -0.03 0.00 -1.51 0.00 0.00 72.50 69.30 1rwu s THR 13 CO 0.31 0.16 1.38 -2.16 -2.21 0.00 0.00 174.62 172.09 1rwu s PRO 14 N -1.29 4.22 -0.52 7.08 0.04 -1.26 -2.17 135.00 141.10 1rwu s PRO 14 Ca 0.07 1.82 -0.13 0.00 0.04 0.00 0.00 61.00 62.80 1rwu s PRO 14 Cb -0.09 -3.82 0.13 0.00 0.04 0.00 0.00 34.50 30.76 1rwu s PRO 14 CO 0.02 -0.74 0.44 -0.06 0.04 0.00 0.00 177.00 176.71 1rwu s PHE 15 N 3.60 3.34 -0.64 0.56 0.08 0.20 -1.53 117.98 123.59 1rwu s PHE 15 Ca 0.60 -1.56 -0.27 0.00 0.12 0.00 0.00 56.93 55.83 1rwu s PHE 15 Cb -0.25 -3.67 0.00 0.00 -0.57 0.00 0.00 43.02 38.52 1rwu s PHE 15 CO 0.19 -1.01 1.58 0.95 -0.10 0.00 0.00 175.22 176.83 1rwu s THR 16 N 1.46 3.56 0.27 0.64 -4.23 -1.26 -3.42 115.64 112.66 1rwu s THR 16 Ca 0.05 0.36 0.10 0.00 -1.18 0.00 0.00 61.69 61.02 1rwu s THR 16 Cb -0.28 -4.36 -0.04 0.00 1.34 0.00 0.00 72.50 69.15 1rwu s THR 16 CO 0.01 -1.27 -0.05 -0.31 -0.54 0.00 0.00 174.62 172.45 1rwu s TYR 17 N 7.33 2.59 -0.31 3.99 1.51 -0.93 -4.95 117.35 126.59 1rwu s TYR 17 Ca 0.54 -0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 56.32 1rwu s TYR 17 Cb -0.11 -1.14 0.10 0.00 -0.11 0.00 0.00 41.96 40.70 1rwu s TYR 17 CO 0.20 0.65 0.12 0.15 -1.11 0.00 0.00 175.55 175.56 1rwu s LYS 18 N -3.63 0.48 -0.78 -0.62 1.02 -1.26 0.23 119.74 115.17 1rwu s LYS 18 Ca 0.31 -0.87 -0.26 0.00 0.02 0.00 0.00 55.97 55.17 1rwu s LYS 18 Cb -0.06 -1.58 0.03 0.00 -0.52 0.00 0.00 37.83 35.70 1rwu s LYS 18 CO 0.19 -1.02 1.32 0.08 -0.92 0.00 0.00 175.35 175.00 1rwu s VAL 19 N 1.77 3.74 0.22 3.17 1.01 0.14 -0.81 120.40 129.65 1rwu s VAL 19 Ca 0.10 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.36 1rwu s VAL 19 Cb -0.17 -4.92 -0.04 0.00 0.00 0.00 0.00 36.38 31.25 1rwu s VAL 19 CO -0.29 -1.85 0.15 -0.04 0.00 0.00 0.00 175.10 173.07 1rwu s MET 20 N 5.65 2.83 0.00 2.72 -1.94 0.88 -2.11 119.30 127.33 1rwu s MET 20 Ca 0.38 -1.02 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 1rwu s MET 20 Cb -0.07 -2.55 0.00 0.00 2.01 0.00 0.00 34.83 34.22 1rwu s MET 20 CO 0.11 0.43 0.00 0.41 -0.01 0.00 0.00 175.02 175.96 1rwu n GLY 21 N -0.78 -0.55 3.77 -0.03 0.00 -0.73 -0.79 105.19 106.08 1rwu n GLY 21 Ca -0.08 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.58 2.70 -0.38 1.61 0.74 -0.87 -1.12 119.66 120.75 1rwu s GLN 22 Ca 0.00 1.30 -0.37 0.00 0.05 0.00 0.00 55.36 56.34 1rwu s GLN 22 Cb 0.00 -1.94 -0.13 0.00 1.10 0.00 0.00 33.01 32.03 1rwu s GLN 22 CO 0.00 -1.32 2.17 0.00 -0.55 0.00 0.00 175.29 175.60 1rwu n ALA 23 N -2.71 0.87 -3.83 1.58 0.00 -0.48 -4.41 120.51 111.53 1rwu n ALA 23 Ca 0.10 0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 1rwu n ALA 23 Cb 0.52 -2.43 -0.16 0.00 0.00 0.00 0.00 19.45 17.38 1rwu n ALA 23 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1rwu s LEU 24 N 6.96 1.74 0.26 0.00 1.98 -1.26 -4.99 118.68 123.37 1rwu s LEU 24 Ca 1.12 -0.91 0.09 0.00 -2.89 0.00 0.00 54.13 51.54 1rwu s LEU 24 Cb -1.01 -0.85 0.31 0.00 0.66 0.00 0.00 46.19 45.30 1rwu s LEU 24 CO 0.53 -0.26 1.59 1.55 -1.89 0.00 0.00 176.35 177.87 1rwu h PRO 25 N 8.12 0.04 0.00 0.98 0.13 -2.04 -3.00 132.00 136.23 1rwu h PRO 25 Ca -0.18 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1rwu h PRO 25 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1rwu h PRO 25 CO 0.37 0.66 0.00 -1.91 -0.23 0.00 0.00 178.00 176.89 1rwu n GLU 26 N -3.80 0.25 0.24 0.86 0.00 -1.26 -3.90 120.64 113.03 1rwu n GLU 26 Ca -0.01 0.04 -0.15 0.00 0.00 0.00 0.00 57.16 57.04 1rwu n GLU 26 Cb 0.63 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.49 1rwu n GLU 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1rwu h LEU 27 N 0.00 -0.68 -1.43 4.31 5.85 -1.83 -0.59 115.31 120.94 1rwu h LEU 27 Ca 0.00 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1rwu h LEU 27 Cb 0.31 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1rwu h LEU 27 CO 0.00 -0.41 0.25 1.62 -0.34 0.00 0.00 178.44 179.55 1rwu h VAL 28 N -0.64 1.15 -0.04 1.05 3.04 -1.79 0.86 116.25 119.88 1rwu h VAL 28 Ca -0.04 -0.38 -0.00 0.00 -1.01 0.00 0.00 66.70 65.27 1rwu h VAL 28 Cb 0.54 0.53 -0.00 0.00 -2.01 0.00 0.00 31.29 30.35 1rwu h VAL 28 CO 0.02 0.16 0.01 0.44 -1.01 0.00 0.00 177.57 177.19 1rwu h ASP 29 N 0.64 0.06 0.43 3.17 3.32 -1.62 -2.59 116.42 119.83 1rwu h ASP 29 Ca 0.17 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.87 1rwu h ASP 29 Cb 0.03 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1rwu h ASP 29 CO -0.03 0.26 -0.58 -0.61 -1.72 0.00 0.00 179.24 176.56 1rwu h GLN 30 N -0.14 0.15 0.17 3.56 5.75 -0.84 -2.11 115.11 121.65 1rwu h GLN 30 Ca 0.01 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1rwu h GLN 30 Cb 0.22 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 1rwu h GLN 30 CO -0.00 0.69 -0.14 0.28 -2.65 0.00 0.00 178.83 177.02 1rwu h VAL 31 N 0.12 0.70 -0.01 2.39 2.07 -0.69 0.26 116.25 121.08 1rwu h VAL 31 Ca -0.00 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 1rwu h VAL 31 Cb 1.06 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1rwu h VAL 31 CO 0.09 0.00 -0.67 1.62 0.02 0.00 0.00 177.57 178.62 1rwu h VAL 32 N -0.32 1.47 0.02 2.57 3.04 -1.49 -2.06 116.25 119.48 1rwu h VAL 32 Ca -0.01 -2.27 -0.00 0.00 -1.01 0.00 0.00 66.70 63.42 1rwu h VAL 32 Cb 0.29 2.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 1rwu h VAL 32 CO -0.01 0.65 -0.01 -0.08 -1.01 0.00 0.00 177.57 177.11 1rwu h GLU 33 N 0.03 -0.02 -0.13 4.17 4.22 -1.13 -1.59 114.58 120.13 1rwu h GLU 33 Ca -0.01 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.34 1rwu h GLU 33 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1rwu h GLU 33 CO 0.09 0.64 -0.31 -0.24 -2.18 0.00 0.00 179.01 177.00 1rwu h VAL 34 N -0.70 1.27 0.00 0.32 3.04 -0.58 -2.20 116.25 117.40 1rwu h VAL 34 Ca -0.00 -1.28 -0.13 0.00 -1.01 0.00 0.00 66.70 64.27 1rwu h VAL 34 Cb 0.66 1.52 -0.02 0.00 -2.01 0.00 0.00 31.29 31.45 1rwu h VAL 34 CO 0.00 0.39 -0.64 1.62 -1.01 0.00 0.00 177.57 177.93 1rwu h VAL 35 N 0.22 1.21 -0.07 1.51 3.04 -1.43 -2.86 116.25 117.86 1rwu h VAL 35 Ca 0.03 -2.41 -0.21 0.00 -1.01 0.00 0.00 66.70 63.10 1rwu h VAL 35 Cb 0.67 2.40 0.00 0.00 -2.01 0.00 0.00 31.29 32.35 1rwu h VAL 35 CO 0.05 0.63 -0.80 -0.61 -1.01 0.00 0.00 177.57 175.82 1rwu h GLN 36 N 0.00 0.49 0.00 4.17 4.15 -0.97 0.30 115.11 123.25 1rwu h GLN 36 Ca -0.01 -0.43 -0.08 0.00 0.77 0.00 0.00 58.65 58.90 1rwu h GLN 36 Cb 1.35 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 29.13 1rwu h GLN 36 CO 0.08 1.07 -0.38 0.00 -1.93 0.00 0.00 178.83 177.67 1rwu h ARG 37 N 0.32 0.00 0.01 1.69 3.08 -1.40 -3.34 114.38 114.73 1rwu h ARG 37 Ca -0.05 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.59 1rwu h ARG 37 Cb 1.41 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.40 1rwu h ARG 37 CO 0.14 0.38 -2.37 0.72 -1.07 0.00 0.00 179.97 177.77 1rwu n HIS 38 N -3.48 0.18 -4.00 3.04 8.25 -1.08 -4.97 115.22 113.16 1rwu n HIS 38 Ca 0.00 0.06 -0.29 0.00 -0.26 0.00 0.00 57.72 57.23 1rwu n HIS 38 Cb 0.53 -1.02 -0.05 0.00 1.12 0.00 0.00 29.99 30.57 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 -2.50 3.78 0.12 -1.41 0.00 0.10 -5.02 121.76 116.83 1rwu s ALA 39 Ca -0.36 -1.00 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 1rwu s ALA 39 Cb 0.11 -1.61 -0.06 0.00 0.00 0.00 0.00 23.12 21.56 1rwu s ALA 39 CO 0.56 0.69 1.45 -1.00 0.00 0.00 0.00 175.76 177.46 1rwu h PRO 40 N 2.85 0.84 -6.53 0.00 0.13 -1.81 -3.38 132.00 124.10 1rwu h PRO 40 Ca -0.47 -0.45 -0.52 0.00 -0.87 0.00 0.00 66.00 63.69 1rwu h PRO 40 Cb 1.17 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1rwu h PRO 40 CO 0.69 1.09 0.08 0.20 -0.23 0.00 0.00 178.00 179.82 1rwu s GLY 41 N -3.77 2.58 0.39 1.56 0.00 -1.26 -5.00 107.32 101.82 1rwu s GLY 41 Ca -0.12 0.11 -0.21 0.00 0.00 0.00 0.00 44.72 44.51 1rwu s GLY 41 CO 0.86 0.45 0.91 0.99 0.00 0.00 0.00 173.10 176.31 1rwu s ASP 42 N -1.68 6.97 0.15 1.64 1.11 -1.26 -4.63 116.67 118.96 1rwu s ASP 42 Ca 0.43 1.64 0.04 0.00 0.18 0.00 0.00 52.55 54.83 1rwu s ASP 42 Cb -0.16 -2.52 -0.05 0.00 1.07 0.00 0.00 42.92 41.27 1rwu s ASP 42 CO 0.21 -0.28 -0.07 -0.31 1.18 0.00 0.00 175.17 175.89 1rwu s TYR 43 N -2.05 1.24 0.03 4.23 2.02 -1.26 -5.05 117.35 116.51 1rwu s TYR 43 Ca 0.59 -0.83 -0.04 0.00 -0.37 0.00 0.00 57.07 56.42 1rwu s TYR 43 Cb -0.11 -0.66 -0.01 0.00 -0.40 0.00 0.00 41.96 40.78 1rwu s TYR 43 CO 0.15 0.01 0.06 0.99 -1.57 0.00 0.00 175.55 175.19 1rwu s THR 44 N -3.41 0.13 0.13 -0.71 2.01 -1.26 -3.81 115.64 108.72 1rwu s THR 44 Ca 0.18 -1.07 -0.06 0.00 0.31 0.00 0.00 61.69 61.06 1rwu s THR 44 Cb 0.04 -0.74 -0.06 0.00 0.01 0.00 0.00 72.50 71.75 1rwu s THR 44 CO 0.01 -0.59 0.38 -2.16 -0.69 0.00 0.00 174.62 171.58 1rwu s PRO 45 N -2.29 3.65 -0.55 4.92 0.04 -1.26 -2.78 135.00 136.73 1rwu s PRO 45 Ca -0.08 -0.02 -0.09 0.00 0.04 0.00 0.00 61.00 60.86 1rwu s PRO 45 Cb -0.03 -2.88 0.14 0.00 0.04 0.00 0.00 34.50 31.77 1rwu s PRO 45 CO -0.03 0.49 0.43 0.99 0.04 0.00 0.00 177.00 178.91 1rwu s THR 46 N -1.60 4.33 0.26 1.26 2.01 0.77 -4.76 115.64 117.91 1rwu s THR 46 Ca 0.39 -2.10 -0.30 0.00 0.31 0.00 0.00 61.69 60.00 1rwu s THR 46 Cb -0.12 -3.82 -0.09 0.00 0.01 0.00 0.00 72.50 68.48 1rwu s THR 46 CO 0.23 -0.83 1.07 0.54 -0.69 0.00 0.00 174.62 174.93 1rwu s VAL 47 N 0.93 3.64 0.03 3.82 0.11 -1.26 -1.06 120.40 126.62 1rwu s VAL 47 Ca 0.10 1.62 -0.04 0.00 -2.93 0.00 0.00 61.98 60.72 1rwu s VAL 47 Cb -0.23 -4.03 -0.02 0.00 -1.53 0.00 0.00 36.38 30.58 1rwu s VAL 47 CO -0.02 0.37 0.06 -1.59 -3.33 0.00 0.00 175.10 170.58 1rwu s LYS 48 N -1.24 0.52 -1.10 1.54 -2.85 0.57 -4.92 119.74 112.26 1rwu s LYS 48 Ca 0.45 -0.75 -0.22 0.00 -1.00 0.00 0.00 55.97 54.45 1rwu s LYS 48 Cb -0.31 0.20 0.01 0.00 -2.06 0.00 0.00 37.83 35.68 1rwu s LYS 48 CO 0.39 -0.12 1.71 -1.25 0.10 0.00 0.00 175.35 176.18 1rwu s PRO 49 N -2.41 3.31 -0.19 1.78 0.04 -1.26 -2.43 135.00 133.83 1rwu s PRO 49 Ca -0.07 -1.21 -0.23 0.00 0.04 0.00 0.00 61.00 59.53 1rwu s PRO 49 Cb -0.03 -5.33 -0.21 0.00 0.04 0.00 0.00 34.50 28.98 1rwu s PRO 49 CO -0.04 -2.76 0.35 0.77 0.04 0.00 0.00 177.00 175.35 1rwu h SER 50 N 9.45 0.00 -2.01 6.66 0.02 -1.89 -3.48 113.55 122.31 1rwu h SER 50 Ca 0.25 -0.63 -0.51 0.00 -0.84 0.00 0.00 61.79 60.07 1rwu h SER 50 Cb 0.96 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.45 1rwu h SER 50 CO 1.36 1.38 -0.50 -0.55 -1.14 0.00 0.00 176.83 177.38 1rwu s SER 51 N -6.70 5.28 0.21 3.07 0.15 -1.26 -5.09 113.70 109.35 1rwu s SER 51 Ca -0.26 -0.43 -0.01 0.00 0.70 0.00 0.00 55.95 55.94 1rwu s SER 51 Cb 0.04 -1.11 -0.04 0.00 -1.71 0.00 0.00 66.02 63.19 1rwu s SER 51 CO 0.62 -0.20 0.40 -0.54 1.20 0.00 0.00 173.24 174.72 1rwu s LYS 52 N -3.90 3.53 0.22 5.44 3.01 -1.26 -4.64 119.74 122.13 1rwu s LYS 52 Ca 0.37 -0.31 0.00 0.00 -1.01 0.00 0.00 55.97 55.02 1rwu s LYS 52 Cb -0.06 -2.82 0.00 0.00 -1.01 0.00 0.00 37.83 33.93 1rwu s LYS 52 CO 0.25 0.39 0.00 0.41 0.51 0.00 0.00 175.35 176.91 1rwu n GLY 53 N -0.68 1.02 2.69 -3.33 0.00 -1.26 -4.50 105.19 99.13 1rwu n GLY 53 Ca -0.04 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 1rwu n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rwu n ASN 54 N 0.25 6.87 -4.04 1.61 6.94 -1.26 -4.98 115.26 120.64 1rwu n ASN 54 Ca 0.00 -3.69 -0.14 0.00 -0.02 0.00 0.00 54.58 50.74 1rwu n ASN 54 Cb 0.00 -1.07 -0.12 0.00 -2.36 0.00 0.00 39.78 36.23 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 -4.17 0.65 -0.02 -2.53 6.14 -1.26 -1.38 117.35 114.78 1rwu s TYR 55 Ca 0.41 -0.41 -0.08 0.00 0.64 0.00 0.00 57.07 57.63 1rwu s TYR 55 Cb 0.20 -0.39 0.01 0.00 0.42 0.00 0.00 41.96 42.20 1rwu s TYR 55 CO -0.13 -0.06 0.17 -3.38 0.64 0.00 0.00 175.55 172.79 1rwu s HIS 56 N -1.09 -0.05 -0.16 4.97 -3.43 -0.28 -4.58 115.29 110.67 1rwu s HIS 56 Ca -0.07 0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 1rwu s HIS 56 Cb -0.08 0.00 0.03 0.00 -1.43 0.00 0.00 32.58 31.10 1rwu s HIS 56 CO 0.00 -0.25 -0.11 -1.12 -2.00 0.00 0.00 174.74 171.26 1rwu s SER 57 N -0.99 2.85 -0.05 7.38 0.01 -1.02 -1.77 113.70 120.11 1rwu s SER 57 Ca -0.11 -0.61 0.04 0.00 1.31 0.00 0.00 55.95 56.59 1rwu s SER 57 Cb -0.06 -1.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.04 1rwu s SER 57 CO 0.02 -0.11 -0.16 0.68 0.41 0.00 0.00 173.24 174.07 1rwu s VAL 58 N 1.51 2.91 -0.46 3.43 -7.23 -0.90 -0.31 120.40 119.35 1rwu s VAL 58 Ca 0.03 -0.78 -0.18 0.00 -1.81 0.00 0.00 61.98 59.23 1rwu s VAL 58 Cb -0.14 -2.12 0.04 0.00 0.56 0.00 0.00 36.38 34.71 1rwu s VAL 58 CO -0.09 0.59 0.52 -0.55 -0.31 0.00 0.00 175.10 175.26 1rwu s SER 59 N -0.68 6.22 -0.18 4.85 0.15 -0.22 0.27 113.70 124.10 1rwu s SER 59 Ca 0.10 -0.78 -0.18 0.00 0.70 0.00 0.00 55.95 55.79 1rwu s SER 59 Cb -0.11 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 1rwu s SER 59 CO 0.00 -0.72 0.48 -0.51 1.20 0.00 0.00 173.24 173.70 1rwu s ILE 60 N 2.33 5.15 -0.06 6.45 2.07 0.13 -0.16 121.20 137.12 1rwu s ILE 60 Ca 0.13 0.89 -0.16 0.00 -1.41 0.00 0.00 60.65 60.11 1rwu s ILE 60 Cb -0.18 -3.81 -0.05 0.00 0.13 0.00 0.00 42.46 38.55 1rwu s ILE 60 CO 0.13 0.23 0.42 -0.89 -1.91 0.00 0.00 174.94 172.92 1rwu s THR 61 N 1.32 5.10 -0.16 4.00 2.01 -1.12 -2.19 115.64 124.61 1rwu s THR 61 Ca 0.23 0.85 -0.28 0.00 0.31 0.00 0.00 61.69 62.81 1rwu s THR 61 Cb -0.15 -3.74 0.07 0.00 0.01 0.00 0.00 72.50 68.69 1rwu s THR 61 CO 0.09 0.47 0.72 -0.51 -0.69 0.00 0.00 174.62 174.70 1rwu s ILE 62 N -0.33 0.00 -0.24 1.82 2.07 -1.22 -4.23 121.20 119.06 1rwu s ILE 62 Ca 0.24 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.50 1rwu s ILE 62 Cb -0.16 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.49 1rwu s ILE 62 CO 0.11 0.00 -0.10 0.21 -1.91 0.00 0.00 174.94 173.25 1rwu s ASN 63 N -0.43 4.13 0.00 4.50 2.47 -1.26 0.61 114.94 124.96 1rwu s ASN 63 Ca -0.05 -1.25 0.08 0.00 0.42 0.00 0.00 52.86 52.05 1rwu s ASN 63 Cb -0.02 -1.44 -0.02 0.00 -1.45 0.00 0.00 41.25 38.32 1rwu s ASN 63 CO 0.05 -0.18 -0.24 0.00 -3.72 0.00 0.00 177.10 173.01 1rwu s ALA 64 N 1.20 2.03 -1.55 1.71 0.00 -0.92 -4.84 121.76 119.39 1rwu s ALA 64 Ca -0.07 -1.09 0.27 0.00 0.00 0.00 0.00 51.96 51.07 1rwu s ALA 64 Cb -0.19 -0.49 1.39 0.00 0.00 0.00 0.00 23.12 23.84 1rwu s ALA 64 CO -0.06 0.49 1.91 0.25 0.00 0.00 0.00 175.76 178.35 1rwu n THR 65 N 2.26 0.12 -4.18 0.00 -2.24 -1.26 -1.95 114.28 107.03 1rwu n THR 65 Ca -0.16 0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.46 1rwu n THR 65 Cb 0.52 -0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.45 1.25 -0.01 4.78 5.65 -1.26 -2.24 115.29 121.02 1rwu s HIS 66 Ca 0.28 -0.47 -0.24 0.00 0.25 0.00 0.00 55.06 54.89 1rwu s HIS 66 Cb 0.18 -0.70 -0.19 0.00 -1.18 0.00 0.00 32.58 30.69 1rwu s HIS 66 CO 0.38 0.07 1.26 0.82 -0.65 0.00 0.00 174.74 176.62 1rwu h ILE 67 N 4.23 1.40 0.00 0.89 1.08 -1.86 -3.08 117.51 120.16 1rwu h ILE 67 Ca -0.41 -1.32 0.00 0.00 -0.39 0.00 0.00 64.86 62.74 1rwu h ILE 67 Cb 1.19 2.16 0.00 0.00 -3.07 0.00 0.00 36.82 37.10 1rwu h ILE 67 CO 0.41 0.36 0.00 -0.08 -0.69 0.00 0.00 178.15 178.15 1rwu h GLU 68 N -0.33 0.00 0.82 2.37 4.22 -1.96 -3.21 114.58 116.49 1rwu h GLU 68 Ca 0.01 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.41 1rwu h GLU 68 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1rwu h GLU 68 CO 0.02 0.00 -0.44 0.37 -2.18 0.00 0.00 179.01 176.78 1rwu h GLN 69 N 0.00 -1.12 -0.03 1.92 4.15 -1.95 -1.00 115.11 117.08 1rwu h GLN 69 Ca 0.00 0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.50 1rwu h GLN 69 Cb 0.30 0.25 -0.00 0.00 0.21 0.00 0.00 27.48 28.25 1rwu h GLN 69 CO 0.00 -0.75 0.03 -0.24 -1.93 0.00 0.00 178.83 175.94 1rwu h VAL 70 N -1.16 0.68 -0.13 2.39 3.04 -1.68 -2.01 116.25 117.39 1rwu h VAL 70 Ca -0.11 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.50 1rwu h VAL 70 Cb 0.91 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1rwu h VAL 70 CO 0.15 0.00 -0.24 -0.33 -1.01 0.00 0.00 177.57 176.15 1rwu h GLU 71 N 0.00 0.39 -0.76 4.17 3.07 -1.51 -1.92 114.58 118.02 1rwu h GLU 71 Ca 0.01 -0.24 -0.03 0.00 -0.50 0.00 0.00 59.36 58.60 1rwu h GLU 71 Cb 0.07 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.97 1rwu h GLU 71 CO -0.00 0.84 0.36 1.15 -1.40 0.00 0.00 179.01 179.96 1rwu h THR 72 N -0.02 1.24 -0.44 1.13 2.02 -0.58 -2.34 112.91 113.92 1rwu h THR 72 Ca 0.01 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.43 1rwu h THR 72 Cb 0.82 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1rwu h THR 72 CO 0.05 0.29 -0.01 -0.07 0.37 0.00 0.00 175.52 176.15 1rwu h LEU 73 N 1.07 0.69 -0.36 2.58 4.07 -1.37 -1.51 115.31 120.47 1rwu h LEU 73 Ca 0.26 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 1rwu h LEU 73 Cb 0.12 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 1rwu h LEU 73 CO -0.03 0.77 0.21 0.22 -1.08 0.00 0.00 178.44 178.53 1rwu h TYR 74 N 0.68 0.49 -0.25 1.13 3.20 -0.83 -1.14 116.97 120.24 1rwu h TYR 74 Ca 0.13 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 1rwu h TYR 74 Cb 0.44 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1rwu h TYR 74 CO 0.02 0.37 -0.15 1.49 -1.64 0.00 0.00 178.16 178.26 1rwu h GLU 75 N 0.46 0.42 -0.45 1.82 4.22 -1.16 0.44 114.58 120.34 1rwu h GLU 75 Ca 0.13 -0.12 -0.05 0.00 0.08 0.00 0.00 59.36 59.40 1rwu h GLU 75 Cb 0.04 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1rwu h GLU 75 CO -0.02 0.57 0.08 0.93 -2.18 0.00 0.00 179.01 178.39 1rwu h GLU 76 N 0.39 0.74 0.00 1.92 5.08 -0.66 -2.30 114.58 119.75 1rwu h GLU 76 Ca 0.07 -0.19 -0.21 0.00 -1.00 0.00 0.00 59.36 58.03 1rwu h GLU 76 Cb 0.49 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1rwu h GLU 76 CO 0.03 0.76 -1.02 1.37 -1.00 0.00 0.00 179.01 179.15 1rwu h LEU 77 N 0.61 0.00 -5.36 1.33 8.10 -0.98 -3.33 115.31 115.68 1rwu h LEU 77 Ca 0.14 0.00 -0.74 0.00 0.11 0.00 0.00 57.88 57.39 1rwu h LEU 77 Cb 0.37 0.00 -0.31 0.00 -0.44 0.00 0.00 40.66 40.28 1rwu h LEU 77 CO 0.01 0.97 0.60 0.61 -4.11 0.00 0.00 178.44 176.51 1rwu n GLY 78 N 1.36 5.81 0.79 0.17 0.00 0.15 -4.58 105.19 108.89 1rwu n GLY 78 Ca -0.01 -2.59 0.08 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.35 1.94 -1.75 1.61 4.81 -0.88 -4.74 118.16 118.81 1rwu n LYS 79 Ca 0.47 -1.85 -0.33 0.00 -0.87 0.00 0.00 58.31 55.73 1rwu n LYS 79 Cb 0.32 -1.36 0.05 0.00 0.02 0.00 0.00 35.03 34.07 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 -1.24 3.09 0.33 3.15 1.09 -1.26 -4.91 121.20 121.46 1rwu s ILE 80 Ca 0.26 0.52 0.37 0.00 -1.10 0.00 0.00 60.65 60.70 1rwu s ILE 80 Cb 0.16 -3.06 0.40 0.00 -1.06 0.00 0.00 42.46 38.90 1rwu s ILE 80 CO 0.22 -0.30 2.13 -0.78 -0.10 0.00 0.00 174.94 176.11 1rwu h ASP 81 N 0.07 0.00 -3.95 3.58 3.58 -2.02 -3.44 116.42 114.24 1rwu h ASP 81 Ca -0.47 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.51 1rwu h ASP 81 Cb 1.26 0.00 0.16 0.00 1.72 0.00 0.00 39.33 42.46 1rwu h ASP 81 CO 0.54 0.02 0.21 -0.63 -2.88 0.00 0.00 179.24 176.50 1rwu s ILE 82 N -3.89 2.39 -0.14 2.25 -1.09 -1.26 -4.89 121.20 114.57 1rwu s ILE 82 Ca -0.01 0.13 -0.29 0.00 -2.23 0.00 0.00 60.65 58.24 1rwu s ILE 82 Cb 0.11 -2.57 -0.06 0.00 -1.58 0.00 0.00 42.46 38.36 1rwu s ILE 82 CO 0.51 -0.17 1.99 -0.69 -1.23 0.00 0.00 174.94 175.35 1rwu s VAL 83 N -2.90 3.17 -0.04 2.92 1.01 -1.26 -4.95 120.40 118.35 1rwu s VAL 83 Ca 0.65 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.88 1rwu s VAL 83 Cb -0.19 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1rwu s VAL 83 CO 0.58 -0.08 -0.24 0.00 0.00 0.00 0.00 175.10 175.36 1rwu s ARG 84 N 5.35 2.23 0.12 2.72 1.70 -1.26 -2.05 118.95 127.75 1rwu s ARG 84 Ca 0.90 -0.86 -0.14 0.00 -0.47 0.00 0.00 55.73 55.16 1rwu s ARG 84 Cb -0.34 -1.99 0.02 0.00 -0.57 0.00 0.00 34.95 32.08 1rwu s ARG 84 CO 0.36 0.42 0.35 -1.64 -1.08 0.00 0.00 175.30 173.71 1rwu s MET 85 N -0.30 1.02 0.04 3.89 -1.94 0.03 -4.99 119.30 117.05 1rwu s MET 85 Ca 0.02 -0.78 -0.03 0.00 -1.71 0.00 0.00 55.69 53.18 1rwu s MET 85 Cb -0.12 0.44 -0.02 0.00 2.01 0.00 0.00 34.83 37.14 1rwu s MET 85 CO 0.02 -0.38 0.04 0.54 -0.01 0.00 0.00 175.02 175.22 1rwu s VAL 86 N -3.82 0.15 -2.73 -6.03 0.11 -1.26 -0.08 120.40 106.74 1rwu s VAL 86 Ca 0.04 -1.23 0.26 0.00 -2.93 0.00 0.00 61.98 58.12 1rwu s VAL 86 Cb 0.03 -0.93 0.39 0.00 -1.53 0.00 0.00 36.38 34.33 1rwu s VAL 86 CO -0.11 -0.68 1.52 -0.11 -3.33 0.00 0.00 175.10 172.39