#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 2.41 0.04 3.17 2.20 -1.26 -5.02 119.74 121.29 1rwu s LYS 2 Ca 0.00 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.89 1rwu s LYS 2 Cb 0.00 -2.42 0.00 0.00 -1.51 0.00 0.00 37.83 33.90 1rwu s LYS 2 CO 0.00 -0.86 0.00 0.25 -0.36 0.00 0.00 175.35 174.38 1rwu n THR 3 N -2.48 0.14 -3.47 3.43 -2.24 -1.26 -4.68 114.28 103.72 1rwu n THR 3 Ca 0.09 0.05 -0.19 0.00 -2.27 0.00 0.00 64.05 61.72 1rwu n THR 3 Cb 0.60 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 1rwu n THR 3 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1rwu n LYS 4 N -2.93 -0.97 -2.04 -0.78 2.85 -1.26 -4.41 118.16 108.63 1rwu n LYS 4 Ca 0.00 0.41 -0.34 0.00 -1.05 0.00 0.00 58.31 57.33 1rwu n LYS 4 Cb 0.21 -1.47 0.02 0.00 -0.65 0.00 0.00 35.03 33.14 1rwu n LYS 4 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1rwu s LEU 5 N -4.40 3.60 -1.07 -5.58 1.02 -1.26 -3.94 118.68 107.06 1rwu s LEU 5 Ca 0.05 2.15 -0.16 0.00 0.02 0.00 0.00 54.13 56.18 1rwu s LEU 5 Cb -0.03 -4.57 -0.02 0.00 0.02 0.00 0.00 46.19 41.59 1rwu s LEU 5 CO 0.62 -1.43 0.80 -3.20 0.02 0.00 0.00 176.35 173.15 1rwu n ASN 6 N -1.75 -5.72 0.07 2.29 2.85 -1.26 -4.93 115.26 106.81 1rwu n ASN 6 Ca 0.11 -0.89 0.00 0.00 -0.11 0.00 0.00 54.58 53.69 1rwu n ASN 6 Cb 0.51 -3.70 0.00 0.00 1.24 0.00 0.00 39.78 37.83 1rwu n ASN 6 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1rwu n GLU 7 N -3.75 0.00 -0.06 1.20 4.07 -1.25 -4.82 120.64 116.02 1rwu n GLU 7 Ca -0.09 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 56.93 1rwu n GLU 7 Cb 0.59 -0.27 -0.07 0.00 -0.06 0.00 0.00 31.44 31.63 1rwu n GLU 7 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1rwu n LEU 8 N -3.30 1.77 -0.10 4.31 7.99 -1.26 -4.83 117.00 121.59 1rwu n LEU 8 Ca 0.00 -0.04 -0.15 0.00 -0.01 0.00 0.00 56.01 55.81 1rwu n LEU 8 Cb 0.08 -0.17 -0.06 0.00 -0.11 0.00 0.00 43.42 43.17 1rwu n LEU 8 CO 0.00 0.53 -0.76 0.18 -1.51 0.00 0.00 177.39 175.83 1rwu n LEU 9 N -2.67 1.90 -2.95 2.23 4.32 -1.26 -4.98 117.00 113.58 1rwu n LEU 9 Ca -0.20 0.42 -0.21 0.00 -0.02 0.00 0.00 56.01 56.01 1rwu n LEU 9 Cb 0.78 -0.83 0.01 0.00 -1.62 0.00 0.00 43.42 41.76 1rwu n LEU 9 CO 0.16 -0.04 -0.07 -0.62 -1.22 0.00 0.00 177.39 175.60 1rwu n GLU 10 N -4.45 -3.54 -4.05 3.23 1.02 -1.18 -4.95 120.64 106.73 1rwu n GLU 10 Ca -0.25 0.71 -0.32 0.00 -0.02 0.00 0.00 57.16 57.29 1rwu n GLU 10 Cb 0.57 -5.45 -0.16 0.00 -0.02 0.00 0.00 31.44 26.38 1rwu n GLU 10 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1rwu s PHE 11 N -2.97 2.81 -0.38 -0.32 5.36 -0.53 -4.99 117.98 116.96 1rwu s PHE 11 Ca 0.24 -1.87 -0.28 0.00 -0.96 0.00 0.00 56.93 54.06 1rwu s PHE 11 Cb -0.12 -1.82 -0.01 0.00 -0.34 0.00 0.00 43.02 40.74 1rwu s PHE 11 CO 0.30 -0.81 1.69 -1.25 -1.46 0.00 0.00 175.22 173.69 1rwu s PRO 12 N 1.26 3.34 0.01 10.12 0.04 -1.26 -3.97 135.00 144.54 1rwu s PRO 12 Ca -0.02 1.20 0.05 0.00 0.04 0.00 0.00 61.00 62.26 1rwu s PRO 12 Cb -0.17 -4.16 -0.02 0.00 0.04 0.00 0.00 34.50 30.19 1rwu s PRO 12 CO -0.08 -1.85 -0.14 -0.08 0.04 0.00 0.00 177.00 174.89 1rwu s THR 13 N 6.64 1.10 0.07 1.26 -1.32 -0.65 -4.88 115.64 117.86 1rwu s THR 13 Ca 0.73 -0.76 -0.31 0.00 -1.21 0.00 0.00 61.69 60.14 1rwu s THR 13 Cb -0.19 -0.95 -0.06 0.00 -1.51 0.00 0.00 72.50 69.79 1rwu s THR 13 CO 0.32 0.18 1.28 -2.16 -2.21 0.00 0.00 174.62 172.03 1rwu s PRO 14 N -0.67 4.38 -0.45 7.08 0.04 -1.26 -1.61 135.00 142.51 1rwu s PRO 14 Ca 0.04 1.89 -0.08 0.00 0.04 0.00 0.00 61.00 62.89 1rwu s PRO 14 Cb -0.06 -3.33 0.11 0.00 0.04 0.00 0.00 34.50 31.26 1rwu s PRO 14 CO 0.00 -0.35 0.30 -0.06 0.04 0.00 0.00 177.00 176.93 1rwu s PHE 15 N 1.20 3.45 -0.89 0.56 0.08 0.67 -4.92 117.98 118.13 1rwu s PHE 15 Ca 0.61 -1.95 -0.25 0.00 0.12 0.00 0.00 56.93 55.47 1rwu s PHE 15 Cb -0.32 -3.35 -0.00 0.00 -0.57 0.00 0.00 43.02 38.77 1rwu s PHE 15 CO 0.29 -0.97 1.70 0.99 -0.10 0.00 0.00 175.22 177.14 1rwu s THR 16 N 1.32 3.62 -0.46 0.64 2.01 -1.26 -2.79 115.64 118.72 1rwu s THR 16 Ca 0.06 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 61.58 1rwu s THR 16 Cb -0.25 -4.44 0.08 0.00 0.01 0.00 0.00 72.50 67.90 1rwu s THR 16 CO -0.01 -1.36 0.35 -0.31 -0.69 0.00 0.00 174.62 172.60 1rwu s TYR 17 N 7.82 3.29 -0.91 4.92 1.51 -0.96 -4.84 117.35 128.17 1rwu s TYR 17 Ca 0.58 -1.22 -0.24 0.00 -1.01 0.00 0.00 57.07 55.17 1rwu s TYR 17 Cb -0.05 -3.16 0.04 0.00 -0.11 0.00 0.00 41.96 38.67 1rwu s TYR 17 CO 0.00 -0.84 1.44 0.15 -1.11 0.00 0.00 175.55 175.19 1rwu s LYS 18 N 1.54 3.36 -0.85 -0.62 3.01 -1.26 -0.63 119.74 124.30 1rwu s LYS 18 Ca 0.04 -0.73 -0.25 0.00 -1.01 0.00 0.00 55.97 54.01 1rwu s LYS 18 Cb -0.24 -4.94 0.03 0.00 -1.01 0.00 0.00 37.83 31.67 1rwu s LYS 18 CO 0.04 -2.28 1.45 0.08 0.51 0.00 0.00 175.35 175.15 1rwu s VAL 19 N 5.69 3.75 0.17 3.17 1.01 0.36 -0.19 120.40 134.35 1rwu s VAL 19 Ca 0.45 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 1rwu s VAL 19 Cb -0.03 -4.82 -0.04 0.00 0.00 0.00 0.00 36.38 31.48 1rwu s VAL 19 CO -0.01 -1.74 0.35 -0.04 0.00 0.00 0.00 175.10 173.66 1rwu s MET 20 N 5.65 3.50 0.00 2.72 -1.94 0.11 -1.91 119.30 127.43 1rwu s MET 20 Ca 0.45 -0.38 0.00 0.00 -1.71 0.00 0.00 55.69 54.05 1rwu s MET 20 Cb -0.05 -2.89 0.00 0.00 2.01 0.00 0.00 34.83 33.90 1rwu s MET 20 CO 0.04 0.46 0.00 0.41 -0.01 0.00 0.00 175.02 175.92 1rwu n GLY 21 N -0.44 -0.61 3.86 -0.03 0.00 -0.76 -0.51 105.19 106.71 1rwu n GLY 21 Ca -0.05 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1rwu n GLY 21 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rwu s GLN 22 N -1.16 1.62 -0.68 1.61 -0.21 -0.90 -0.74 119.66 119.20 1rwu s GLN 22 Ca 0.00 0.16 -0.27 0.00 0.02 0.00 0.00 55.36 55.27 1rwu s GLN 22 Cb 0.00 -1.91 0.02 0.00 1.00 0.00 0.00 33.01 32.12 1rwu s GLN 22 CO 0.00 -1.84 1.37 0.00 -2.12 0.00 0.00 175.29 172.70 1rwu s ALA 23 N -3.48 2.70 -0.03 6.09 0.00 -0.46 -3.66 121.76 122.92 1rwu s ALA 23 Ca 0.63 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.51 1rwu s ALA 23 Cb -0.12 -4.22 -0.00 0.00 0.00 0.00 0.00 23.12 18.78 1rwu s ALA 23 CO 0.51 -3.27 -0.12 -1.17 0.00 0.00 0.00 175.76 171.71 1rwu s LEU 24 N 6.19 1.86 0.51 0.00 2.96 -1.26 -4.93 118.68 124.01 1rwu s LEU 24 Ca 0.43 -0.24 0.30 0.00 -0.22 0.00 0.00 54.13 54.40 1rwu s LEU 24 Cb -0.09 -0.67 1.05 0.00 0.50 0.00 0.00 46.19 46.98 1rwu s LEU 24 CO 0.18 0.10 1.87 1.55 -1.32 0.00 0.00 176.35 178.73 1rwu h PRO 25 N 6.26 0.00 0.00 0.98 0.13 -2.05 -3.00 132.00 134.33 1rwu h PRO 25 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1rwu h PRO 25 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1rwu h PRO 25 CO 0.49 0.03 0.00 -1.91 -0.23 0.00 0.00 178.00 176.38 1rwu n GLU 26 N -3.13 0.17 0.23 0.86 0.00 -1.26 -3.79 120.64 113.72 1rwu n GLU 26 Ca 0.01 0.34 -0.12 0.00 0.00 0.00 0.00 57.16 57.40 1rwu n GLU 26 Cb 0.38 -1.79 -0.06 0.00 0.00 0.00 0.00 31.44 29.97 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 -0.79 -1.83 4.31 3.38 -1.86 -0.98 115.31 117.55 1rwu h LEU 27 Ca 0.00 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1rwu h LEU 27 Cb 0.41 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1rwu h LEU 27 CO 0.00 -0.44 0.00 1.62 0.09 0.00 0.00 178.44 179.71 1rwu h VAL 28 N -0.69 1.05 0.61 1.22 3.04 -1.81 -0.48 116.25 119.19 1rwu h VAL 28 Ca -0.06 -0.20 -0.03 0.00 -1.01 0.00 0.00 66.70 65.41 1rwu h VAL 28 Cb 0.57 0.99 0.01 0.00 -2.01 0.00 0.00 31.29 30.84 1rwu h VAL 28 CO 0.03 0.07 -0.29 -0.78 -1.01 0.00 0.00 177.57 175.58 1rwu h ASP 29 N 0.11 -0.69 -0.02 3.17 3.58 -1.58 -2.34 116.42 118.64 1rwu h ASP 29 Ca 0.03 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 1rwu h ASP 29 Cb 0.07 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1rwu h ASP 29 CO 0.00 -0.41 -0.11 -0.61 -2.88 0.00 0.00 179.24 175.23 1rwu h GLN 30 N -0.98 0.29 0.60 0.28 5.75 -1.13 -2.19 115.11 117.73 1rwu h GLN 30 Ca -0.08 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.32 1rwu h GLN 30 Cb 0.63 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.13 1rwu h GLN 30 CO 0.14 0.42 -0.33 0.28 -2.65 0.00 0.00 178.83 176.68 1rwu h VAL 31 N 0.28 0.32 0.00 2.39 2.07 -1.07 0.10 116.25 120.34 1rwu h VAL 31 Ca 0.06 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 1rwu h VAL 31 Cb 0.38 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1rwu h VAL 31 CO 0.02 0.00 -0.35 1.62 0.02 0.00 0.00 177.57 178.88 1rwu h VAL 32 N -0.87 1.09 0.12 2.57 3.04 -1.36 -1.60 116.25 119.24 1rwu h VAL 32 Ca -0.08 -1.29 -0.01 0.00 -1.01 0.00 0.00 66.70 64.32 1rwu h VAL 32 Cb 0.69 1.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 1rwu h VAL 32 CO 0.10 0.35 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.62 1rwu h GLU 33 N 0.00 -0.16 0.00 4.17 5.08 -1.17 -2.24 114.58 120.26 1rwu h GLU 33 Ca -0.00 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1rwu h GLU 33 Cb 0.70 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1rwu h GLU 33 CO 0.05 0.22 -0.20 -0.24 -1.00 0.00 0.00 179.01 177.83 1rwu h VAL 34 N -0.96 0.72 0.11 3.13 3.04 -0.87 -2.16 116.25 119.27 1rwu h VAL 34 Ca -0.02 -0.84 -0.29 0.00 -1.01 0.00 0.00 66.70 64.55 1rwu h VAL 34 Cb 0.45 1.52 -0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1rwu h VAL 34 CO 0.03 0.20 -1.40 1.62 -1.01 0.00 0.00 177.57 177.00 1rwu h VAL 35 N 0.00 1.30 0.00 1.51 3.04 -1.38 -3.07 116.25 117.64 1rwu h VAL 35 Ca -0.00 -2.92 -0.10 0.00 -1.01 0.00 0.00 66.70 62.66 1rwu h VAL 35 Cb 0.50 2.82 -0.01 0.00 -2.01 0.00 0.00 31.29 32.59 1rwu h VAL 35 CO 0.03 0.84 -0.50 0.06 -1.01 0.00 0.00 177.57 176.99 1rwu h GLN 36 N 0.07 0.00 0.00 4.17 3.07 -1.27 0.76 115.11 121.92 1rwu h GLN 36 Ca -0.19 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.28 1rwu h GLN 36 Cb 1.99 0.00 0.02 0.00 0.08 0.00 0.00 27.48 29.57 1rwu h GLN 36 CO 0.17 0.50 -1.05 0.00 0.09 0.00 0.00 178.83 178.55 1rwu h ARG 37 N 0.00 0.69 0.05 0.06 3.08 -1.48 -3.37 114.38 113.41 1rwu h ARG 37 Ca -0.00 -0.74 -0.29 0.00 0.07 0.00 0.00 59.98 59.01 1rwu h ARG 37 Cb 1.22 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 31.46 1rwu h ARG 37 CO 0.06 1.32 -1.61 0.72 -1.07 0.00 0.00 179.97 179.40 1rwu n HIS 38 N -3.85 1.10 -3.84 3.04 8.25 -1.16 -4.93 115.22 113.85 1rwu n HIS 38 Ca -0.11 0.36 -0.30 0.00 -0.26 0.00 0.00 57.72 57.41 1rwu n HIS 38 Cb 0.88 -1.13 -0.04 0.00 1.12 0.00 0.00 29.99 30.83 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 -2.45 3.93 0.32 -1.41 0.00 0.26 -5.05 121.76 117.36 1rwu s ALA 39 Ca -0.26 -0.79 -0.28 0.00 0.00 0.00 0.00 51.96 50.63 1rwu s ALA 39 Cb 0.06 -1.92 -0.10 0.00 0.00 0.00 0.00 23.12 21.17 1rwu s ALA 39 CO 0.67 0.72 1.18 -1.25 0.00 0.00 0.00 175.76 177.07 1rwu s PRO 40 N -2.70 4.45 0.00 0.00 0.04 -1.26 -4.18 135.00 131.34 1rwu s PRO 40 Ca 0.37 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1rwu s PRO 40 Cb -0.12 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1rwu s PRO 40 CO 0.27 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.72 1rwu n GLY 41 N 0.96 -2.12 3.87 0.56 0.00 -1.26 -4.93 105.19 102.27 1rwu n GLY 41 Ca 0.00 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 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 -4.29 6.38 0.42 1.61 1.11 -1.26 -4.20 116.67 116.44 1rwu s ASP 42 Ca 0.00 0.46 0.07 0.00 0.18 0.00 0.00 52.55 53.26 1rwu s ASP 42 Cb 0.00 -2.07 -0.07 0.00 1.07 0.00 0.00 42.92 41.85 1rwu s ASP 42 CO 0.00 0.40 0.03 -0.31 1.18 0.00 0.00 175.17 176.47 1rwu s TYR 43 N -0.97 2.48 0.03 4.23 2.02 -1.26 -5.01 117.35 118.87 1rwu s TYR 43 Ca 0.15 -0.68 -0.04 0.00 -0.37 0.00 0.00 57.07 56.13 1rwu s TYR 43 Cb -0.12 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1rwu s TYR 43 CO 0.04 0.40 0.05 0.99 -1.57 0.00 0.00 175.55 175.46 1rwu s THR 44 N -2.71 0.13 -0.26 -0.71 2.01 -1.26 -4.11 115.64 108.74 1rwu s THR 44 Ca 0.34 -1.11 -0.14 0.00 0.31 0.00 0.00 61.69 61.09 1rwu s THR 44 Cb 0.09 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1rwu s THR 44 CO 0.18 -0.61 0.34 -2.16 -0.69 0.00 0.00 174.62 171.67 1rwu s PRO 45 N -2.39 4.04 -0.79 4.92 0.04 -1.26 -2.73 135.00 136.82 1rwu s PRO 45 Ca -0.07 -0.00 -0.26 0.00 0.04 0.00 0.00 61.00 60.71 1rwu s PRO 45 Cb -0.03 -3.63 0.03 0.00 0.04 0.00 0.00 34.50 30.91 1rwu s PRO 45 CO -0.04 -0.20 1.39 0.99 0.04 0.00 0.00 177.00 179.17 1rwu s THR 46 N 1.84 3.72 0.25 1.26 2.01 0.12 -4.51 115.64 120.33 1rwu s THR 46 Ca 0.14 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 1rwu s THR 46 Cb -0.15 -4.84 -0.09 0.00 0.01 0.00 0.00 72.50 67.43 1rwu s THR 46 CO 0.09 -1.77 1.04 0.54 -0.69 0.00 0.00 174.62 173.84 1rwu s VAL 47 N 6.00 3.76 0.02 3.82 0.11 -1.26 -1.39 120.40 131.47 1rwu s VAL 47 Ca 0.41 1.73 -0.04 0.00 -2.93 0.00 0.00 61.98 61.15 1rwu s VAL 47 Cb -0.07 -4.10 -0.01 0.00 -1.53 0.00 0.00 36.38 30.67 1rwu s VAL 47 CO 0.10 0.39 0.06 -1.59 -3.33 0.00 0.00 175.10 170.73 1rwu s LYS 48 N -1.16 0.48 -1.23 1.54 -2.85 0.08 -4.92 119.74 111.68 1rwu s LYS 48 Ca 0.44 -0.66 -0.20 0.00 -1.00 0.00 0.00 55.97 54.55 1rwu s LYS 48 Cb -0.29 0.18 0.03 0.00 -2.06 0.00 0.00 37.83 35.69 1rwu s LYS 48 CO 0.37 -0.11 1.76 -1.25 0.10 0.00 0.00 175.35 176.23 1rwu s PRO 49 N -2.05 3.53 -0.18 1.78 0.04 -1.26 -2.33 135.00 134.53 1rwu s PRO 49 Ca -0.10 -1.64 -0.16 0.00 0.04 0.00 0.00 61.00 59.13 1rwu s PRO 49 Cb -0.05 -5.43 -0.21 0.00 0.04 0.00 0.00 34.50 28.85 1rwu s PRO 49 CO -0.02 -2.71 0.26 0.43 0.04 0.00 0.00 177.00 174.99 1rwu n SER 50 N 10.10 1.96 -4.94 6.66 7.64 -1.26 -4.96 113.62 128.83 1rwu n SER 50 Ca 0.46 0.35 -0.20 0.00 1.01 0.00 0.00 58.87 60.49 1rwu n SER 50 Cb 0.47 -0.93 -0.02 0.00 -1.01 0.00 0.00 64.21 62.72 1rwu n SER 50 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1rwu s SER 51 N -6.94 5.62 0.24 6.43 0.15 -1.26 -5.08 113.70 112.86 1rwu s SER 51 Ca -0.27 -0.37 0.06 0.00 0.70 0.00 0.00 55.95 56.07 1rwu s SER 51 Cb 0.06 -1.01 -0.03 0.00 -1.71 0.00 0.00 66.02 63.33 1rwu s SER 51 CO 0.65 -0.47 0.32 -0.54 1.20 0.00 0.00 173.24 174.41 1rwu s LYS 52 N -4.13 3.31 2.98 5.44 3.01 -1.26 -4.68 119.74 124.41 1rwu s LYS 52 Ca 0.45 -0.83 0.00 0.00 -1.01 0.00 0.00 55.97 54.58 1rwu s LYS 52 Cb -0.08 -2.81 0.00 0.00 -1.01 0.00 0.00 37.83 33.93 1rwu s LYS 52 CO 0.29 0.42 0.00 0.41 0.51 0.00 0.00 175.35 176.98 1rwu n GLY 53 N -1.36 0.59 2.80 -3.33 0.00 -1.26 -4.28 105.19 98.36 1rwu n GLY 53 Ca -0.09 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 1rwu n GLY 53 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rwu n ASN 54 N 3.22 6.90 -3.88 1.61 5.15 -1.26 -4.96 115.26 122.04 1rwu n ASN 54 Ca 0.00 -3.53 -0.13 0.00 -0.60 0.00 0.00 54.58 50.32 1rwu n ASN 54 Cb 0.00 -1.23 -0.14 0.00 -0.53 0.00 0.00 39.78 37.87 1rwu n ASN 54 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1rwu s TYR 55 N -3.36 0.12 0.01 1.20 2.02 -1.26 -1.35 117.35 114.73 1rwu s TYR 55 Ca 0.36 -0.02 0.01 0.00 -0.37 0.00 0.00 57.07 57.06 1rwu s TYR 55 Cb 0.12 -0.09 -0.01 0.00 -0.40 0.00 0.00 41.96 41.58 1rwu s TYR 55 CO -0.02 -0.01 -0.04 -1.01 -1.57 0.00 0.00 175.55 172.91 1rwu s HIS 56 N 0.05 0.35 -0.30 2.71 3.76 0.08 -4.46 115.29 117.48 1rwu s HIS 56 Ca -0.00 -0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 1rwu s HIS 56 Cb -0.01 -0.22 0.06 0.00 1.11 0.00 0.00 32.58 33.52 1rwu s HIS 56 CO -0.00 -0.03 -0.01 -1.12 -0.85 0.00 0.00 174.74 172.72 1rwu s SER 57 N -0.43 4.77 0.09 1.40 0.01 -0.99 -1.82 113.70 116.73 1rwu s SER 57 Ca -0.02 -1.49 0.04 0.00 1.31 0.00 0.00 55.95 55.79 1rwu s SER 57 Cb -0.03 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.49 1rwu s SER 57 CO -0.00 -0.28 0.01 0.68 0.41 0.00 0.00 173.24 174.06 1rwu s VAL 58 N 1.15 4.10 -0.30 3.43 -7.23 -0.80 -0.74 120.40 120.01 1rwu s VAL 58 Ca -0.03 -0.94 -0.02 0.00 -1.81 0.00 0.00 61.98 59.18 1rwu s VAL 58 Cb -0.20 -2.95 0.05 0.00 0.56 0.00 0.00 36.38 33.83 1rwu s VAL 58 CO -0.03 0.13 -0.00 -0.55 -0.31 0.00 0.00 175.10 174.33 1rwu s SER 59 N -2.30 4.88 -0.11 4.85 0.15 -0.48 0.14 113.70 120.83 1rwu s SER 59 Ca 0.26 -1.26 -0.17 0.00 0.70 0.00 0.00 55.95 55.47 1rwu s SER 59 Cb -0.12 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 62.44 1rwu s SER 59 CO 0.19 -0.26 0.45 -0.51 1.20 0.00 0.00 173.24 174.31 1rwu s ILE 60 N 1.25 5.18 -0.06 6.45 2.07 0.20 0.12 121.20 136.41 1rwu s ILE 60 Ca -0.05 0.90 -0.24 0.00 -1.41 0.00 0.00 60.65 59.85 1rwu s ILE 60 Cb -0.20 -3.79 -0.04 0.00 0.13 0.00 0.00 42.46 38.57 1rwu s ILE 60 CO -0.01 0.36 0.72 -0.89 -1.91 0.00 0.00 174.94 173.21 1rwu s THR 61 N 0.43 5.02 -0.30 4.00 2.01 -1.10 -2.27 115.64 123.43 1rwu s THR 61 Ca 0.25 1.49 -0.04 0.00 0.31 0.00 0.00 61.69 63.70 1rwu s THR 61 Cb -0.15 -4.06 0.10 0.00 0.01 0.00 0.00 72.50 68.40 1rwu s THR 61 CO 0.10 0.25 0.14 -0.63 -0.69 0.00 0.00 174.62 173.79 1rwu s ILE 62 N 0.77 -0.02 -0.76 1.82 1.01 -1.12 -4.51 121.20 118.39 1rwu s ILE 62 Ca 0.38 -0.86 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 1rwu s ILE 62 Cb -0.18 -1.01 0.06 0.00 0.01 0.00 0.00 42.46 41.33 1rwu s ILE 62 CO 0.19 -0.75 1.16 0.21 0.00 0.00 0.00 174.94 175.75 1rwu s ASN 63 N 2.00 6.24 -0.03 3.58 2.47 -1.26 -0.24 114.94 127.70 1rwu s ASN 63 Ca 0.10 -0.92 0.07 0.00 0.42 0.00 0.00 52.86 52.53 1rwu s ASN 63 Cb -0.17 -2.49 -0.02 0.00 -1.45 0.00 0.00 41.25 37.12 1rwu s ASN 63 CO -0.33 -1.58 -0.24 0.00 -3.72 0.00 0.00 177.10 171.23 1rwu s ALA 64 N 4.73 2.24 -1.01 1.71 0.00 -0.64 -4.57 121.76 124.23 1rwu s ALA 64 Ca 0.31 -1.08 0.21 0.00 0.00 0.00 0.00 51.96 51.40 1rwu s ALA 64 Cb -0.10 -0.65 0.89 0.00 0.00 0.00 0.00 23.12 23.25 1rwu s ALA 64 CO 0.08 0.50 1.66 0.25 0.00 0.00 0.00 175.76 178.26 1rwu n THR 65 N 2.55 0.57 -4.26 0.00 -2.24 -1.25 -1.64 114.28 108.01 1rwu n THR 65 Ca -0.17 0.14 -0.17 0.00 -2.27 0.00 0.00 64.05 61.59 1rwu n THR 65 Cb 0.51 -0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 67.85 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 -2.99 1.41 -0.27 4.78 2.46 -1.26 -1.45 115.29 117.98 1rwu s HIS 66 Ca 0.10 -0.61 0.19 0.00 0.47 0.00 0.00 55.06 55.21 1rwu s HIS 66 Cb 0.14 -0.72 0.13 0.00 -0.13 0.00 0.00 32.58 32.00 1rwu s HIS 66 CO 0.38 0.16 1.39 0.97 -2.47 0.00 0.00 174.74 175.17 1rwu h ILE 67 N 3.16 0.40 0.00 0.89 6.09 -1.91 -3.31 117.51 122.84 1rwu h ILE 67 Ca -0.39 -1.60 -0.18 0.00 -1.37 0.00 0.00 64.86 61.32 1rwu h ILE 67 Cb 1.20 2.11 -0.02 0.00 0.47 0.00 0.00 36.82 40.58 1rwu h ILE 67 CO 0.56 0.23 -0.88 -0.33 -3.07 0.00 0.00 178.15 174.66 1rwu h GLU 68 N 0.00 0.02 -0.49 2.19 5.08 -1.87 -3.04 114.58 116.47 1rwu h GLU 68 Ca -0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1rwu h GLU 68 Cb 1.22 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1rwu h GLU 68 CO 0.03 0.88 0.26 0.37 -1.00 0.00 0.00 179.01 179.55 1rwu h GLN 69 N 0.01 0.68 0.00 2.33 -0.00 -1.77 -1.58 115.11 114.78 1rwu h GLN 69 Ca -0.01 -0.08 -0.12 0.00 -0.00 0.00 0.00 58.65 58.44 1rwu h GLN 69 Cb 1.54 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 28.87 1rwu h GLN 69 CO 0.12 0.54 -0.55 -0.24 0.00 0.00 0.00 178.83 178.70 1rwu h VAL 70 N 0.64 1.33 -0.16 2.39 3.04 -1.71 -2.21 116.25 119.58 1rwu h VAL 70 Ca 0.17 -1.92 -0.02 0.00 -1.01 0.00 0.00 66.70 63.92 1rwu h VAL 70 Cb 0.06 2.05 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 1rwu h VAL 70 CO -0.03 0.54 0.01 -0.33 -1.01 0.00 0.00 177.57 176.75 1rwu h GLU 71 N 0.00 0.28 -0.35 4.17 3.07 -1.31 -1.95 114.58 118.48 1rwu h GLU 71 Ca -0.01 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.36 58.70 1rwu h GLU 71 Cb 1.01 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.88 1rwu h GLU 71 CO 0.07 0.48 -0.08 1.79 -1.40 0.00 0.00 179.01 179.87 1rwu h THR 72 N 0.04 1.23 -0.64 1.13 1.35 -1.26 -2.41 112.91 112.34 1rwu h THR 72 Ca 0.05 -1.00 -0.02 0.00 -0.55 0.00 0.00 66.41 64.89 1rwu h THR 72 Cb 0.35 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 67.80 1rwu h THR 72 CO 0.01 0.33 0.31 -0.07 -0.25 0.00 0.00 175.52 175.85 1rwu h LEU 73 N 0.54 0.82 0.17 3.87 4.07 -1.15 0.22 115.31 123.86 1rwu h LEU 73 Ca 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1rwu h LEU 73 Cb 0.47 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1rwu h LEU 73 CO 0.03 0.69 -0.08 0.22 -1.08 0.00 0.00 178.44 178.21 1rwu h TYR 74 N 0.91 -0.22 0.00 1.13 3.20 -0.88 -2.05 116.97 119.07 1rwu h TYR 74 Ca 0.22 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1rwu h TYR 74 Cb 0.09 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1rwu h TYR 74 CO 0.01 0.14 -0.12 1.05 -1.64 0.00 0.00 178.16 177.60 1rwu h GLU 75 N -0.62 0.00 -0.06 1.82 4.11 -1.30 0.32 114.58 118.84 1rwu h GLU 75 Ca -0.02 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.37 1rwu h GLU 75 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1rwu h GLU 75 CO 0.04 0.12 -0.11 0.93 0.07 0.00 0.00 179.01 180.06 1rwu h GLU 76 N 0.00 0.17 0.00 1.06 3.07 -0.84 -2.69 114.58 115.35 1rwu h GLU 76 Ca -0.00 -0.11 -0.14 0.00 -0.50 0.00 0.00 59.36 58.60 1rwu h GLU 76 Cb 0.25 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1rwu h GLU 76 CO 0.02 0.69 -0.69 1.37 -1.40 0.00 0.00 179.01 179.00 1rwu h LEU 77 N -0.32 0.00 -4.43 1.33 8.10 -1.13 -3.26 115.31 115.60 1rwu h LEU 77 Ca 0.00 0.00 -0.70 0.00 0.11 0.00 0.00 57.88 57.30 1rwu h LEU 77 Cb 0.68 0.00 -0.31 0.00 -0.44 0.00 0.00 40.66 40.60 1rwu h LEU 77 CO 0.02 0.69 0.67 0.61 -4.11 0.00 0.00 178.44 176.32 1rwu n GLY 78 N 0.88 5.79 0.95 0.17 0.00 0.11 -4.50 105.19 108.59 1rwu n GLY 78 Ca 0.00 -2.45 0.10 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.71 2.18 -2.01 1.61 4.81 -1.01 -4.81 118.16 118.22 1rwu n LYS 79 Ca 0.56 -2.01 -0.33 0.00 -0.87 0.00 0.00 58.31 55.66 1rwu n LYS 79 Cb 0.51 -1.43 0.01 0.00 0.02 0.00 0.00 35.03 34.15 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 -1.43 3.77 0.32 3.15 1.09 -1.26 -4.92 121.20 121.92 1rwu s ILE 80 Ca 0.31 0.83 0.38 0.00 -1.10 0.00 0.00 60.65 61.07 1rwu s ILE 80 Cb 0.19 -3.36 0.41 0.00 -1.06 0.00 0.00 42.46 38.64 1rwu s ILE 80 CO 0.27 -0.50 2.14 -0.78 -0.10 0.00 0.00 174.94 175.96 1rwu h ASP 81 N 0.37 0.00 -3.91 3.58 3.58 -2.01 -3.43 116.42 114.60 1rwu h ASP 81 Ca -0.47 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.53 1rwu h ASP 81 Cb 1.22 0.00 0.16 0.00 1.72 0.00 0.00 39.33 42.43 1rwu h ASP 81 CO 0.57 0.00 0.20 -0.63 -2.88 0.00 0.00 179.24 176.50 1rwu s ILE 82 N -3.86 2.10 -0.40 2.25 -1.09 -1.26 -4.86 121.20 114.08 1rwu s ILE 82 Ca -0.01 0.03 -0.27 0.00 -2.23 0.00 0.00 60.65 58.17 1rwu s ILE 82 Cb 0.11 -2.54 -0.05 0.00 -1.58 0.00 0.00 42.46 38.39 1rwu s ILE 82 CO 0.48 -0.04 2.19 -0.69 -1.23 0.00 0.00 174.94 175.66 1rwu s VAL 83 N -2.99 3.12 -0.23 2.92 1.01 -1.26 -4.93 120.40 118.04 1rwu s VAL 83 Ca 0.65 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.75 1rwu s VAL 83 Cb -0.18 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.03 1rwu s VAL 83 CO 0.57 -0.18 -0.11 -0.13 0.00 0.00 0.00 175.10 175.25 1rwu s ARG 84 N 7.14 2.22 0.19 2.72 3.00 -1.26 -2.12 118.95 130.84 1rwu s ARG 84 Ca 0.92 -1.10 0.01 0.00 0.00 0.00 0.00 55.73 55.56 1rwu s ARG 84 Cb -0.22 -2.69 -0.05 0.00 0.00 0.00 0.00 34.95 31.99 1rwu s ARG 84 CO 0.29 -0.49 0.04 -1.64 0.00 0.00 0.00 175.30 173.51 1rwu s MET 85 N 1.24 1.18 0.05 3.54 -1.94 0.34 -4.95 119.30 118.76 1rwu s MET 85 Ca -0.05 -1.59 -0.00 0.00 -1.71 0.00 0.00 55.69 52.34 1rwu s MET 85 Cb -0.18 -0.19 -0.03 0.00 2.01 0.00 0.00 34.83 36.44 1rwu s MET 85 CO -0.07 -0.20 -0.04 0.54 -0.01 0.00 0.00 175.02 175.24 1rwu s VAL 86 N -3.75 0.28 0.00 -6.03 0.11 -1.26 0.05 120.40 109.80 1rwu s VAL 86 Ca 0.29 -1.57 0.00 0.00 -2.93 0.00 0.00 61.98 57.76 1rwu s VAL 86 Cb 0.07 -1.19 0.00 0.00 -1.53 0.00 0.00 36.38 33.72 1rwu s VAL 86 CO 0.07 -0.83 0.00 -0.11 -3.33 0.00 0.00 175.10 170.90