#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 0.63 0.00 0.03 2.36 -1.25 -3.19 119.74 118.32 1rwu s LYS 2 Ca 0.00 -1.10 0.00 0.00 -2.55 0.00 0.00 55.97 52.32 1rwu s LYS 2 Cb 0.00 -0.96 0.00 0.00 -1.05 0.00 0.00 37.83 35.82 1rwu s LYS 2 CO 0.00 -1.21 0.21 0.25 1.55 0.00 0.00 175.35 176.14 1rwu n THR 3 N 4.07 0.00 -3.74 3.43 -2.24 0.40 -4.98 114.28 111.23 1rwu n THR 3 Ca 0.13 -0.48 -0.26 0.00 -2.27 0.00 0.00 64.05 61.16 1rwu n THR 3 Cb 0.42 1.01 0.05 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.55 -6.47 0.11 -0.78 0.00 -1.19 -4.69 118.16 104.58 1rwu n LYS 4 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 58.31 59.02 1rwu n LYS 4 Cb 0.00 -5.63 0.00 0.00 0.00 0.00 0.00 35.03 29.40 1rwu n LYS 4 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1rwu n LEU 5 N -4.72 -1.90 -0.01 3.14 7.94 -1.26 -4.98 117.00 115.21 1rwu n LEU 5 Ca -0.03 0.46 0.03 0.00 -1.11 0.00 0.00 56.01 55.35 1rwu n LEU 5 Cb 0.57 1.99 -0.06 0.00 0.53 0.00 0.00 43.42 46.45 1rwu n LEU 5 CO 0.70 -0.05 -0.60 -3.20 -1.11 0.00 0.00 177.39 173.13 1rwu n ASN 6 N -2.93 3.34 -3.65 1.96 2.85 -1.26 -2.98 115.26 112.59 1rwu n ASN 6 Ca 0.00 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.33 1rwu n ASN 6 Cb 0.00 1.25 -0.08 0.00 1.24 0.00 0.00 39.78 42.20 1rwu n ASN 6 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1rwu s GLU 7 N -2.47 0.76 0.29 1.20 -6.30 -1.26 -4.38 118.70 106.54 1rwu s GLU 7 Ca -0.03 0.73 0.00 0.00 -2.50 0.00 0.00 54.97 53.18 1rwu s GLU 7 Cb 0.04 0.37 0.00 0.00 0.00 0.00 0.00 34.13 34.54 1rwu s GLU 7 CO 0.30 -0.12 0.00 -0.11 0.02 0.00 0.00 175.26 175.35 1rwu n LEU 8 N 2.45 -2.43 0.05 2.70 0.00 -1.19 -0.45 117.00 118.13 1rwu n LEU 8 Ca -0.15 0.54 0.12 0.00 0.00 0.00 0.00 56.01 56.53 1rwu n LEU 8 Cb 0.56 2.44 0.18 0.00 0.00 0.00 0.00 43.42 46.60 1rwu n LEU 8 CO 0.09 -0.06 0.34 0.00 0.00 0.00 0.00 177.39 177.77 1rwu n LEU 9 N -3.09 0.64 -3.61 -1.96 -0.00 -1.26 -4.64 117.00 103.08 1rwu n LEU 9 Ca 0.00 0.17 -0.21 0.00 -0.00 0.00 0.00 56.01 55.97 1rwu n LEU 9 Cb 0.00 -0.19 0.05 0.00 -0.00 0.00 0.00 43.42 43.27 1rwu n LEU 9 CO 0.00 -0.01 -0.03 1.21 -0.00 0.00 0.00 177.39 178.55 1rwu n GLU 10 N -1.98 -4.46 -3.62 1.47 4.07 -1.23 -4.99 120.64 109.89 1rwu n GLU 10 Ca 0.04 0.66 -0.25 0.00 -0.06 0.00 0.00 57.16 57.55 1rwu n GLU 10 Cb 0.42 -5.23 -0.17 0.00 -0.06 0.00 0.00 31.44 26.39 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 -3.57 0.19 -0.41 4.31 5.36 -0.48 -5.04 117.98 118.33 1rwu s PHE 11 Ca 0.10 -0.24 -0.28 0.00 -0.96 0.00 0.00 56.93 55.55 1rwu s PHE 11 Cb -0.02 -0.67 -0.01 0.00 -0.34 0.00 0.00 43.02 41.97 1rwu s PHE 11 CO 0.80 -0.47 1.73 -1.25 -1.46 0.00 0.00 175.22 174.57 1rwu s PRO 12 N 2.14 3.22 0.03 10.12 0.04 -1.26 -4.05 135.00 145.24 1rwu s PRO 12 Ca 0.02 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.23 1rwu s PRO 12 Cb -0.15 -4.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.14 1rwu s PRO 12 CO -0.08 -2.00 -0.05 -0.08 0.04 0.00 0.00 177.00 174.82 1rwu s THR 13 N 7.09 3.74 -0.22 1.26 -1.32 -1.00 -4.90 115.64 120.28 1rwu s THR 13 Ca 0.73 -0.86 -0.29 0.00 -1.21 0.00 0.00 61.69 60.06 1rwu s THR 13 Cb -0.18 -2.67 -0.03 0.00 -1.51 0.00 0.00 72.50 68.11 1rwu s THR 13 CO 0.30 0.31 1.63 -2.16 -2.21 0.00 0.00 174.62 172.49 1rwu s PRO 14 N -1.69 3.77 -0.50 7.08 0.04 -1.26 -3.42 135.00 139.01 1rwu s PRO 14 Ca 0.19 1.66 -0.13 0.00 0.04 0.00 0.00 61.00 62.76 1rwu s PRO 14 Cb -0.11 -4.05 0.11 0.00 0.04 0.00 0.00 34.50 30.49 1rwu s PRO 14 CO 0.10 -1.33 0.42 -0.06 0.04 0.00 0.00 177.00 176.18 1rwu s PHE 15 N 5.31 3.31 -0.88 0.56 0.08 0.15 -4.98 117.98 121.53 1rwu s PHE 15 Ca 0.72 -1.43 -0.25 0.00 0.12 0.00 0.00 56.93 56.10 1rwu s PHE 15 Cb -0.25 -3.56 0.01 0.00 -0.57 0.00 0.00 43.02 38.65 1rwu s PHE 15 CO 0.30 -0.97 1.63 0.99 -0.10 0.00 0.00 175.22 177.07 1rwu s THR 16 N 1.52 3.67 0.25 0.64 2.01 -1.26 -3.05 115.64 119.41 1rwu s THR 16 Ca 0.04 -0.31 0.09 0.00 0.31 0.00 0.00 61.69 61.81 1rwu s THR 16 Cb -0.28 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.63 1rwu s THR 16 CO 0.02 -1.48 0.05 -0.31 -0.69 0.00 0.00 174.62 172.21 1rwu s TYR 17 N 7.22 2.83 -0.29 4.92 1.51 -0.91 -4.95 117.35 127.68 1rwu s TYR 17 Ca 0.54 -0.18 -0.02 0.00 -1.01 0.00 0.00 57.07 56.40 1rwu s TYR 17 Cb -0.05 -1.28 0.09 0.00 -0.11 0.00 0.00 41.96 40.62 1rwu s TYR 17 CO 0.01 0.58 0.10 0.15 -1.11 0.00 0.00 175.55 175.28 1rwu s LYS 18 N -3.62 0.54 -0.86 -0.62 1.02 -1.26 0.05 119.74 114.99 1rwu s LYS 18 Ca 0.31 -0.82 -0.25 0.00 0.02 0.00 0.00 55.97 55.23 1rwu s LYS 18 Cb -0.07 -1.74 0.04 0.00 -0.52 0.00 0.00 37.83 35.53 1rwu s LYS 18 CO 0.21 -0.95 1.37 0.08 -0.92 0.00 0.00 175.35 175.14 1rwu s VAL 19 N 1.80 3.79 -0.04 3.17 1.01 0.15 -0.73 120.40 129.55 1rwu s VAL 19 Ca 0.08 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 1rwu s VAL 19 Cb -0.17 -4.95 -0.05 0.00 0.00 0.00 0.00 36.38 31.22 1rwu s VAL 19 CO -0.27 -1.86 0.24 -0.04 0.00 0.00 0.00 175.10 173.17 1rwu s MET 20 N 5.46 3.59 0.00 2.72 -1.94 0.11 -1.84 119.30 127.39 1rwu s MET 20 Ca 0.41 -0.01 0.00 0.00 -1.71 0.00 0.00 55.69 54.38 1rwu s MET 20 Cb -0.05 -3.15 0.00 0.00 2.01 0.00 0.00 34.83 33.64 1rwu s MET 20 CO 0.04 0.71 0.00 0.41 -0.01 0.00 0.00 175.02 176.17 1rwu n GLY 21 N 1.58 -0.62 3.80 -0.03 0.00 -0.91 -0.78 105.19 108.23 1rwu n GLY 21 Ca -0.15 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.36 3.78 -0.49 1.61 -0.44 -0.84 -0.86 119.66 121.07 1rwu s GLN 22 Ca 0.00 1.28 -0.28 0.00 -2.50 0.00 0.00 55.36 53.86 1rwu s GLN 22 Cb 0.00 -2.10 -0.01 0.00 -1.64 0.00 0.00 33.01 29.26 1rwu s GLN 22 CO 0.00 -0.44 1.73 0.00 0.50 0.00 0.00 175.29 177.09 1rwu s ALA 23 N -2.13 2.58 -0.15 1.58 0.00 0.16 -4.43 121.76 119.37 1rwu s ALA 23 Ca 0.65 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 1rwu s ALA 23 Cb -0.15 -4.14 -0.02 0.00 0.00 0.00 0.00 23.12 18.81 1rwu s ALA 23 CO 0.23 -3.19 -0.07 -0.51 0.00 0.00 0.00 175.76 172.22 1rwu s LEU 24 N 7.56 3.03 0.30 0.00 2.01 -1.26 -4.98 118.68 125.34 1rwu s LEU 24 Ca 0.69 -0.21 0.10 0.00 0.01 0.00 0.00 54.13 54.71 1rwu s LEU 24 Cb -0.16 -1.71 0.47 0.00 0.01 0.00 0.00 46.19 44.80 1rwu s LEU 24 CO 0.27 0.16 1.68 1.55 1.01 0.00 0.00 176.35 181.02 1rwu h PRO 25 N 6.74 0.05 -0.00 1.29 0.13 -2.03 -2.72 132.00 135.45 1rwu h PRO 25 Ca -0.29 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 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 0.60 0.56 -0.05 -1.91 -0.23 0.00 0.00 178.00 176.97 1rwu n GLU 26 N -3.92 0.89 0.13 0.86 0.00 -1.26 -4.08 120.64 113.25 1rwu n GLU 26 Ca -0.02 -0.25 -0.13 0.00 0.00 0.00 0.00 57.16 56.76 1rwu n GLU 26 Cb 0.54 -1.49 -0.07 0.00 0.00 0.00 0.00 31.44 30.42 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 0.61 -0.38 -1.49 4.31 6.46 -1.81 -0.28 115.31 122.74 1rwu h LEU 27 Ca 0.00 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1rwu h LEU 27 Cb 0.27 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1rwu h LEU 27 CO 0.00 -0.22 0.06 -0.37 -0.62 0.00 0.00 178.44 177.29 1rwu h VAL 28 N -0.33 1.14 -0.20 1.05 -1.51 -1.78 0.10 116.25 114.72 1rwu h VAL 28 Ca -0.00 -0.49 -0.05 0.00 -1.23 0.00 0.00 66.70 64.93 1rwu h VAL 28 Cb 0.30 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 30.32 1rwu h VAL 28 CO -0.02 0.17 -0.05 0.44 -1.23 0.00 0.00 177.57 176.88 1rwu h ASP 29 N 0.39 0.39 0.25 4.19 3.32 -1.63 -2.51 116.42 120.82 1rwu h ASP 29 Ca 0.10 -0.37 -0.16 0.00 0.02 0.00 0.00 57.03 56.62 1rwu h ASP 29 Cb 0.17 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1rwu h ASP 29 CO -0.00 0.67 -0.63 -0.61 -1.72 0.00 0.00 179.24 176.95 1rwu h GLN 30 N 0.11 0.37 0.32 3.56 5.75 -0.76 -1.97 115.11 122.49 1rwu h GLN 30 Ca 0.05 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.27 1rwu h GLN 30 Cb 0.50 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.10 1rwu h GLN 30 CO 0.02 0.88 -0.15 0.28 -2.65 0.00 0.00 178.83 177.20 1rwu h VAL 31 N 0.27 0.69 -0.05 2.39 2.07 -0.74 0.19 116.25 121.08 1rwu h VAL 31 Ca -0.01 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.35 1rwu h VAL 31 Cb 1.16 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1rwu h VAL 31 CO 0.11 0.01 -0.53 1.62 0.02 0.00 0.00 177.57 178.79 1rwu h VAL 32 N -0.45 1.37 -0.08 2.57 3.04 -1.49 -1.34 116.25 119.87 1rwu h VAL 32 Ca -0.04 -1.83 -0.08 0.00 -1.01 0.00 0.00 66.70 63.74 1rwu h VAL 32 Cb 0.34 1.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1rwu h VAL 32 CO 0.07 0.53 -0.26 -0.08 -1.01 0.00 0.00 177.57 176.82 1rwu h GLU 33 N 0.10 0.31 -0.00 4.17 4.81 -1.16 -2.20 114.58 120.61 1rwu h GLU 33 Ca -0.00 -0.23 -0.17 0.00 -0.13 0.00 0.00 59.36 58.83 1rwu h GLU 33 Cb 0.98 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1rwu h GLU 33 CO 0.08 0.86 -0.78 -0.24 -0.73 0.00 0.00 179.01 178.20 1rwu h VAL 34 N -0.18 1.55 -0.00 0.32 3.04 -0.66 -2.35 116.25 117.97 1rwu h VAL 34 Ca -0.01 -2.65 -0.17 0.00 -1.01 0.00 0.00 66.70 62.86 1rwu h VAL 34 Cb 0.90 2.43 -0.02 0.00 -2.01 0.00 0.00 31.29 32.59 1rwu h VAL 34 CO 0.06 0.76 -0.78 1.62 -1.01 0.00 0.00 177.57 178.22 1rwu h VAL 35 N 0.01 1.53 0.16 1.51 3.04 -1.31 -2.98 116.25 118.21 1rwu h VAL 35 Ca -0.01 -2.57 -0.26 0.00 -1.01 0.00 0.00 66.70 62.85 1rwu h VAL 35 Cb 1.38 2.39 0.03 0.00 -2.01 0.00 0.00 31.29 33.08 1rwu h VAL 35 CO 0.10 0.74 -1.11 -0.61 -1.01 0.00 0.00 177.57 175.68 1rwu h GLN 36 N 0.03 0.47 -0.01 4.17 5.75 -1.38 0.70 115.11 124.85 1rwu h GLN 36 Ca -0.02 -0.72 -0.03 0.00 -0.15 0.00 0.00 58.65 57.74 1rwu h GLN 36 Cb 1.37 0.26 -0.00 0.00 1.07 0.00 0.00 27.48 30.17 1rwu h GLN 36 CO 0.11 1.33 -0.14 0.00 -2.65 0.00 0.00 178.83 177.47 1rwu h ARG 37 N -0.02 0.01 0.03 1.69 3.08 -1.49 -3.21 114.38 114.46 1rwu h ARG 37 Ca -0.18 -0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.48 1rwu h ARG 37 Cb 1.84 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.84 1rwu h ARG 37 CO 0.21 0.15 -2.34 0.72 -1.07 0.00 0.00 179.97 177.63 1rwu n HIS 38 N -4.37 0.32 -4.76 3.04 8.25 -1.13 -4.97 115.22 111.60 1rwu n HIS 38 Ca -0.03 0.07 -0.29 0.00 -0.26 0.00 0.00 57.72 57.22 1rwu n HIS 38 Cb 0.21 -1.04 -0.14 0.00 1.12 0.00 0.00 29.99 30.14 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 -2.52 2.19 0.38 -1.41 0.00 0.24 -4.82 121.76 115.81 1rwu s ALA 39 Ca -0.32 -1.28 -0.26 0.00 0.00 0.00 0.00 51.96 50.10 1rwu s ALA 39 Cb 0.09 -0.43 -0.09 0.00 0.00 0.00 0.00 23.12 22.69 1rwu s ALA 39 CO 0.63 0.51 1.22 -1.25 0.00 0.00 0.00 175.76 176.87 1rwu s PRO 40 N -1.39 4.15 0.00 0.00 0.04 -1.26 -3.76 135.00 132.78 1rwu s PRO 40 Ca 0.11 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1rwu s PRO 40 Cb -0.10 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1rwu s PRO 40 CO 0.03 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.19 1rwu n GLY 41 N 0.73 1.70 3.84 0.56 0.00 -1.26 -4.90 105.19 105.86 1rwu n GLY 41 Ca 0.03 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.27 6.74 0.21 1.61 1.01 -1.26 -4.24 116.67 120.47 1rwu s ASP 42 Ca 0.00 0.88 0.03 0.00 0.71 0.00 0.00 52.55 54.17 1rwu s ASP 42 Cb 0.00 -2.22 -0.05 0.00 1.01 0.00 0.00 42.92 41.66 1rwu s ASP 42 CO 0.00 0.34 -0.02 -0.31 0.21 0.00 0.00 175.17 175.39 1rwu s TYR 43 N -1.06 1.45 0.06 4.23 1.51 -1.26 -5.06 117.35 117.22 1rwu s TYR 43 Ca 0.22 -0.91 -0.04 0.00 -1.01 0.00 0.00 57.07 55.33 1rwu s TYR 43 Cb -0.16 -0.82 -0.02 0.00 -0.11 0.00 0.00 41.96 40.85 1rwu s TYR 43 CO 0.12 -0.05 0.06 0.95 -1.11 0.00 0.00 175.55 175.52 1rwu s THR 44 N -3.44 0.17 -0.27 -0.71 -4.23 -1.26 -3.53 115.64 102.37 1rwu s THR 44 Ca 0.26 -1.41 -0.14 0.00 -1.18 0.00 0.00 61.69 59.21 1rwu s THR 44 Cb 0.05 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.60 1rwu s THR 44 CO 0.07 -0.78 0.33 -2.16 -0.54 0.00 0.00 174.62 171.53 1rwu s PRO 45 N -3.44 4.02 -0.74 3.99 0.04 -1.26 -2.82 135.00 134.79 1rwu s PRO 45 Ca 0.02 -0.04 -0.26 0.00 0.04 0.00 0.00 61.00 60.76 1rwu s PRO 45 Cb 0.04 -3.64 0.04 0.00 0.04 0.00 0.00 34.50 30.97 1rwu s PRO 45 CO -0.08 -0.23 1.23 0.99 0.04 0.00 0.00 177.00 178.95 1rwu s THR 46 N 1.91 3.84 0.36 1.26 2.01 0.90 -4.60 115.64 121.31 1rwu s THR 46 Ca 0.13 0.22 -0.26 0.00 0.31 0.00 0.00 61.69 62.09 1rwu s THR 46 Cb -0.16 -4.89 -0.09 0.00 0.01 0.00 0.00 72.50 67.38 1rwu s THR 46 CO 0.10 -1.79 1.04 0.54 -0.69 0.00 0.00 174.62 173.81 1rwu s VAL 47 N 5.41 3.76 -0.00 3.82 0.11 -1.26 -0.43 120.40 131.80 1rwu s VAL 47 Ca 0.33 1.45 -0.04 0.00 -2.93 0.00 0.00 61.98 60.80 1rwu s VAL 47 Cb -0.09 -3.80 -0.00 0.00 -1.53 0.00 0.00 36.38 30.95 1rwu s VAL 47 CO 0.13 0.11 0.06 -0.54 -3.33 0.00 0.00 175.10 171.54 1rwu s LYS 48 N -2.18 0.32 -0.69 1.54 3.01 0.10 -4.92 119.74 116.93 1rwu s LYS 48 Ca 0.53 -0.33 -0.26 0.00 -1.01 0.00 0.00 55.97 54.90 1rwu s LYS 48 Cb -0.24 0.13 -0.02 0.00 -1.01 0.00 0.00 37.83 36.69 1rwu s LYS 48 CO 0.30 -0.06 1.83 -1.25 0.51 0.00 0.00 175.35 176.68 1rwu s PRO 49 N -1.03 2.67 -0.18 -1.68 0.04 -1.26 -2.20 135.00 131.36 1rwu s PRO 49 Ca -0.11 0.33 -0.24 0.00 0.04 0.00 0.00 61.00 61.02 1rwu s PRO 49 Cb -0.07 -4.53 -0.21 0.00 0.04 0.00 0.00 34.50 29.73 1rwu s PRO 49 CO 0.00 -2.82 0.41 1.03 0.04 0.00 0.00 177.00 175.66 1rwu h SER 50 N 13.78 0.00 0.00 6.66 0.87 -1.90 -3.46 113.55 129.49 1rwu h SER 50 Ca -0.18 -0.68 0.00 0.00 -1.23 0.00 0.00 61.79 59.70 1rwu h SER 50 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1rwu h SER 50 CO 1.23 1.31 -0.57 -1.20 -0.53 0.00 0.00 176.83 177.07 1rwu n SER 51 N -4.50 0.16 -3.08 6.23 7.64 -1.26 -5.09 113.62 113.73 1rwu n SER 51 Ca -0.24 0.05 -0.14 0.00 1.01 0.00 0.00 58.87 59.55 1rwu n SER 51 Cb 0.61 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.76 1rwu n SER 51 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1rwu s LYS 52 N -2.00 2.03 0.39 1.43 2.20 -1.24 -5.01 119.74 117.55 1rwu s LYS 52 Ca 0.00 -1.74 0.17 0.00 -0.36 0.00 0.00 55.97 54.03 1rwu s LYS 52 Cb 0.00 0.48 0.81 0.00 -1.51 0.00 0.00 37.83 37.61 1rwu s LYS 52 CO 0.00 -0.87 1.82 0.78 -0.36 0.00 0.00 175.35 176.72 1rwu h GLY 53 N 2.06 0.00 1.86 5.54 0.00 -2.00 -2.82 103.07 107.70 1rwu h GLY 53 Ca -0.29 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.87 1rwu h GLY 53 CO 0.39 0.00 -0.75 -0.57 0.00 0.00 0.00 176.54 175.61 1rwu h ASN 54 N 0.00 0.16 -3.38 0.19 -0.73 -1.95 -3.42 115.58 106.45 1rwu h ASN 54 Ca -0.00 -0.12 -0.65 0.00 1.87 0.00 0.00 56.30 57.40 1rwu h ASN 54 Cb 0.71 -0.05 -0.26 0.00 0.27 0.00 0.00 38.32 38.99 1rwu h ASN 54 CO 0.05 0.85 -0.71 -0.47 -0.37 0.00 0.00 177.43 176.78 1rwu s TYR 55 N -3.40 2.96 0.01 0.67 6.14 -1.06 0.35 117.35 123.01 1rwu s TYR 55 Ca -0.02 -0.71 0.04 0.00 0.64 0.00 0.00 57.07 57.02 1rwu s TYR 55 Cb 0.11 -2.04 -0.01 0.00 0.42 0.00 0.00 41.96 40.44 1rwu s TYR 55 CO 0.80 -0.37 -0.13 -1.01 0.64 0.00 0.00 175.55 175.48 1rwu s HIS 56 N 1.06 1.15 -0.26 4.97 3.76 -0.04 -3.65 115.29 122.28 1rwu s HIS 56 Ca 0.01 -0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 54.60 1rwu s HIS 56 Cb -0.15 -0.72 0.00 0.00 1.11 0.00 0.00 32.58 32.83 1rwu s HIS 56 CO 0.00 -0.00 0.01 -1.12 -0.85 0.00 0.00 174.74 172.78 1rwu s SER 57 N -0.62 4.71 0.11 1.40 0.01 -0.93 -2.15 113.70 116.22 1rwu s SER 57 Ca 0.03 -0.57 0.06 0.00 1.31 0.00 0.00 55.95 56.78 1rwu s SER 57 Cb -0.06 -1.80 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 1rwu s SER 57 CO 0.00 -0.10 -0.02 0.68 0.41 0.00 0.00 173.24 174.20 1rwu s VAL 58 N 1.47 3.81 -0.44 3.43 -7.23 -0.76 -0.72 120.40 119.96 1rwu s VAL 58 Ca 0.04 -1.13 -0.11 0.00 -1.81 0.00 0.00 61.98 58.96 1rwu s VAL 58 Cb -0.16 -2.83 0.08 0.00 0.56 0.00 0.00 36.38 34.03 1rwu s VAL 58 CO -0.01 0.08 0.31 -0.55 -0.31 0.00 0.00 175.10 174.62 1rwu s SER 59 N -2.40 5.82 -0.12 4.85 0.15 0.43 0.32 113.70 122.74 1rwu s SER 59 Ca 0.25 -1.47 -0.17 0.00 0.70 0.00 0.00 55.95 55.26 1rwu s SER 59 Cb -0.11 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 1rwu s SER 59 CO 0.17 -0.59 0.42 -0.51 1.20 0.00 0.00 173.24 173.94 1rwu s ILE 60 N 1.49 5.21 -0.12 6.45 2.07 0.11 -0.07 121.20 136.34 1rwu s ILE 60 Ca 0.03 0.84 -0.13 0.00 -1.41 0.00 0.00 60.65 59.98 1rwu s ILE 60 Cb -0.24 -3.76 -0.05 0.00 0.13 0.00 0.00 42.46 38.55 1rwu s ILE 60 CO 0.03 0.36 0.28 -0.89 -1.91 0.00 0.00 174.94 172.82 1rwu s THR 61 N 0.46 5.29 -0.06 4.00 2.01 -1.13 -2.15 115.64 124.07 1rwu s THR 61 Ca 0.23 0.53 -0.05 0.00 0.31 0.00 0.00 61.69 62.71 1rwu s THR 61 Cb -0.15 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.78 1rwu s THR 61 CO 0.09 0.47 0.15 -0.63 -0.69 0.00 0.00 174.62 174.01 1rwu s ILE 62 N -0.12 -0.00 -0.70 1.82 1.01 -1.17 -4.40 121.20 117.63 1rwu s ILE 62 Ca 0.17 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.86 1rwu s ILE 62 Cb -0.13 -0.22 0.35 0.00 0.01 0.00 0.00 42.46 42.47 1rwu s ILE 62 CO 0.06 0.00 1.32 -0.46 0.00 0.00 0.00 174.94 175.86 1rwu n ASN 63 N 3.07 5.61 -4.72 3.58 6.94 -1.26 0.35 115.26 128.83 1rwu n ASN 63 Ca -0.13 -3.71 -0.42 0.00 -0.02 0.00 0.00 54.58 50.30 1rwu n ASN 63 Cb 0.59 -0.76 -0.03 0.00 -2.36 0.00 0.00 39.78 37.22 1rwu n ASN 63 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rwu s ALA 64 N -3.78 3.65 -1.24 -2.53 0.00 -1.22 -4.26 121.76 112.38 1rwu s ALA 64 Ca 0.46 1.22 0.15 0.00 0.00 0.00 0.00 51.96 53.79 1rwu s ALA 64 Cb 0.29 -3.56 0.71 0.00 0.00 0.00 0.00 23.12 20.56 1rwu s ALA 64 CO -0.17 -0.67 1.45 0.25 0.00 0.00 0.00 175.76 176.61 1rwu n THR 65 N 3.73 0.75 -4.26 0.00 -2.24 -1.26 -2.39 114.28 108.61 1rwu n THR 65 Ca 0.11 0.19 -0.16 0.00 -2.27 0.00 0.00 64.05 61.92 1rwu n THR 65 Cb 0.41 -0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 67.60 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 -2.76 1.40 -0.02 4.78 5.65 -1.26 -1.39 115.29 121.70 1rwu s HIS 66 Ca 0.11 -0.64 -0.25 0.00 0.25 0.00 0.00 55.06 54.53 1rwu s HIS 66 Cb 0.10 -0.70 -0.19 0.00 -1.18 0.00 0.00 32.58 30.60 1rwu s HIS 66 CO 0.25 0.16 1.20 0.82 -0.65 0.00 0.00 174.74 176.52 1rwu h ILE 67 N 3.03 1.19 0.00 0.89 1.08 -1.90 -3.16 117.51 118.64 1rwu h ILE 67 Ca -0.38 -1.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.04 1rwu h ILE 67 Cb 1.20 1.86 0.00 0.00 -3.07 0.00 0.00 36.82 36.81 1rwu h ILE 67 CO 0.58 0.25 0.00 -0.62 -0.69 0.00 0.00 178.15 177.68 1rwu n GLU 68 N -4.91 0.21 -0.11 2.37 1.02 -1.26 -3.35 120.64 114.60 1rwu n GLU 68 Ca -0.08 0.39 -0.09 0.00 -0.02 0.00 0.00 57.16 57.35 1rwu n GLU 68 Cb 0.25 -1.86 -0.01 0.00 -0.02 0.00 0.00 31.44 29.80 1rwu n GLU 68 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1rwu h GLN 69 N 0.00 0.50 0.00 3.49 4.15 -1.49 -2.15 115.11 119.61 1rwu h GLN 69 Ca 0.00 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1rwu h GLN 69 Cb 0.43 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.02 1rwu h GLN 69 CO 0.00 0.44 -0.03 -0.24 -1.93 0.00 0.00 178.83 177.07 1rwu h VAL 70 N 0.43 0.74 0.01 2.39 3.04 -1.67 -1.86 116.25 119.33 1rwu h VAL 70 Ca 0.12 -0.10 -0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1rwu h VAL 70 Cb 0.10 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 1rwu h VAL 70 CO -0.02 0.03 -0.01 -0.33 -1.01 0.00 0.00 177.57 176.23 1rwu h GLU 71 N 0.00 -0.02 -0.58 4.17 3.07 -1.55 -2.11 114.58 117.56 1rwu h GLU 71 Ca -0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1rwu h GLU 71 Cb 0.06 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 1rwu h GLU 71 CO 0.00 0.37 0.17 1.79 -1.40 0.00 0.00 179.01 179.94 1rwu h THR 72 N -0.41 1.23 -1.00 1.13 1.35 -1.27 -2.26 112.91 111.68 1rwu h THR 72 Ca -0.00 -0.79 0.01 0.00 -0.55 0.00 0.00 66.41 65.08 1rwu h THR 72 Cb 0.40 0.61 -0.05 0.00 -1.73 0.00 0.00 68.15 67.37 1rwu h THR 72 CO 0.00 0.30 0.66 -0.07 -0.25 0.00 0.00 175.52 176.17 1rwu h LEU 73 N 0.85 1.15 -0.34 3.87 4.07 -1.27 -0.56 115.31 123.08 1rwu h LEU 73 Ca 0.19 -0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 1rwu h LEU 73 Cb 0.27 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1rwu h LEU 73 CO -0.01 0.84 0.14 0.22 -1.08 0.00 0.00 178.44 178.56 1rwu h TYR 74 N 1.36 0.52 -0.74 1.13 3.20 -0.82 -2.19 116.97 119.44 1rwu h TYR 74 Ca 0.37 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 1rwu h TYR 74 Cb -0.16 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 37.92 1rwu h TYR 74 CO 0.00 0.47 0.45 1.49 -1.64 0.00 0.00 178.16 178.93 1rwu h GLU 75 N 0.41 1.00 -0.69 1.82 4.22 -0.96 0.48 114.58 120.86 1rwu h GLU 75 Ca 0.12 -0.08 -0.04 0.00 0.08 0.00 0.00 59.36 59.43 1rwu h GLU 75 Cb 0.17 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1rwu h GLU 75 CO -0.01 0.70 0.27 0.93 -2.18 0.00 0.00 179.01 178.72 1rwu h GLU 76 N 1.02 1.04 0.00 1.92 3.07 -0.69 -2.83 114.58 118.10 1rwu h GLU 76 Ca 0.27 -0.19 -0.21 0.00 -0.50 0.00 0.00 59.36 58.73 1rwu h GLU 76 Cb -0.05 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 27.66 1rwu h GLU 76 CO -0.05 0.86 -1.19 1.37 -1.40 0.00 0.00 179.01 178.60 1rwu h LEU 77 N 0.99 0.00 -5.80 1.33 8.10 -0.92 -3.37 115.31 115.64 1rwu h LEU 77 Ca 0.23 0.00 -0.73 0.00 0.11 0.00 0.00 57.88 57.49 1rwu h LEU 77 Cb 0.21 0.00 -0.32 0.00 -0.44 0.00 0.00 40.66 40.11 1rwu h LEU 77 CO -0.02 0.86 0.44 0.61 -4.11 0.00 0.00 178.44 176.23 1rwu n GLY 78 N 1.40 5.94 0.73 0.17 0.00 0.17 -4.63 105.19 108.96 1rwu n GLY 78 Ca -0.06 -2.65 0.08 0.00 0.00 0.00 0.00 46.02 43.39 1rwu n GLY 78 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rwu n LYS 79 N -0.17 1.85 -1.64 1.61 -0.00 -1.08 -4.75 118.16 113.98 1rwu n LYS 79 Ca 0.42 -1.77 -0.35 0.00 -0.00 0.00 0.00 58.31 56.61 1rwu n LYS 79 Cb 0.31 -1.33 0.07 0.00 -0.00 0.00 0.00 35.03 34.09 1rwu n LYS 79 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1rwu s ILE 80 N -1.17 2.42 -0.79 0.58 1.09 -1.26 -4.89 121.20 117.19 1rwu s ILE 80 Ca 0.24 0.23 0.18 0.00 -1.10 0.00 0.00 60.65 60.19 1rwu s ILE 80 Cb 0.14 -2.89 0.17 0.00 -1.06 0.00 0.00 42.46 38.82 1rwu s ILE 80 CO 0.20 -0.09 1.56 0.47 -0.10 0.00 0.00 174.94 176.98 1rwu n ASP 81 N -2.31 0.27 -4.49 3.58 9.92 -1.26 -4.76 116.55 117.49 1rwu n ASP 81 Ca 0.14 0.57 -0.28 0.00 -0.53 0.00 0.00 54.79 54.68 1rwu n ASP 81 Cb 0.50 -0.62 0.14 0.00 -0.64 0.00 0.00 41.12 40.49 1rwu n ASP 81 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1rwu s ILE 82 N -3.13 2.07 -0.21 0.53 -1.09 -1.26 -4.95 121.20 113.17 1rwu s ILE 82 Ca 0.06 -0.15 -0.29 0.00 -2.23 0.00 0.00 60.65 58.05 1rwu s ILE 82 Cb 0.09 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 38.00 1rwu s ILE 82 CO 0.31 0.00 2.01 -0.69 -1.23 0.00 0.00 174.94 175.34 1rwu s VAL 83 N -3.60 3.21 -0.04 2.92 1.01 -1.26 -4.94 120.40 117.69 1rwu s VAL 83 Ca 0.68 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.94 1rwu s VAL 83 Cb -0.06 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 1rwu s VAL 83 CO 0.49 -0.13 -0.23 0.00 0.00 0.00 0.00 175.10 175.23 1rwu s ARG 84 N 5.72 2.18 0.13 2.72 1.70 -1.26 -1.98 118.95 128.16 1rwu s ARG 84 Ca 0.90 -0.82 -0.13 0.00 -0.47 0.00 0.00 55.73 55.21 1rwu s ARG 84 Cb -0.31 -1.92 0.02 0.00 -0.57 0.00 0.00 34.95 32.16 1rwu s ARG 84 CO 0.35 0.39 0.35 1.41 -1.08 0.00 0.00 175.30 176.72 1rwu s MET 85 N -0.24 1.07 0.03 3.89 1.75 0.04 -4.99 119.30 120.86 1rwu s MET 85 Ca 0.00 -0.87 -0.03 0.00 -1.25 0.00 0.00 55.69 53.54 1rwu s MET 85 Cb -0.12 0.43 -0.02 0.00 2.84 0.00 0.00 34.83 37.96 1rwu s MET 85 CO 0.02 -0.41 0.03 0.54 -0.65 0.00 0.00 175.02 174.55 1rwu s VAL 86 N -3.86 0.13 -2.67 10.11 0.11 -1.26 0.03 120.40 123.00 1rwu s VAL 86 Ca 0.07 -1.08 0.27 0.00 -2.93 0.00 0.00 61.98 58.30 1rwu s VAL 86 Cb 0.02 -0.67 0.43 0.00 -1.53 0.00 0.00 36.38 34.63 1rwu s VAL 86 CO -0.08 -0.60 1.58 -0.11 -3.33 0.00 0.00 175.10 172.56