#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rwu h LYS 2 N 0.00 0.00 -2.51 2.12 1.63 -2.00 -3.42 116.57 112.39 1rwu h LYS 2 Ca 0.00 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.21 1rwu h LYS 2 Cb 0.00 0.00 -0.39 0.00 -0.60 0.00 0.00 32.23 31.24 1rwu h LYS 2 CO 0.00 0.00 -0.90 0.99 -3.45 0.00 0.00 179.45 176.09 1rwu s THR 3 N -1.64 0.38 0.14 1.00 2.01 -1.26 -4.72 115.64 111.55 1rwu s THR 3 Ca -0.05 -2.28 0.00 0.00 0.31 0.00 0.00 61.69 59.67 1rwu s THR 3 Cb 0.01 -1.28 0.00 0.00 0.01 0.00 0.00 72.50 71.24 1rwu s THR 3 CO 0.08 -1.10 0.00 0.29 -0.69 0.00 0.00 174.62 173.19 1rwu n LYS 4 N 3.38 0.00 -3.66 4.92 5.02 -1.26 -5.06 118.16 121.50 1rwu n LYS 4 Ca 0.21 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.25 1rwu n LYS 4 Cb 0.42 -0.03 0.04 0.00 -0.02 0.00 0.00 35.03 35.43 1rwu n LYS 4 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1rwu n LEU 5 N -3.01 -3.25 -4.05 -0.35 4.32 -1.26 -4.91 117.00 104.50 1rwu n LEU 5 Ca 0.00 -0.90 -0.42 0.00 -0.02 0.00 0.00 56.01 54.67 1rwu n LEU 5 Cb 0.02 -2.58 -0.00 0.00 -1.62 0.00 0.00 43.42 39.23 1rwu n LEU 5 CO 0.00 0.39 0.92 0.59 -1.22 0.00 0.00 177.39 178.08 1rwu n ASN 6 N -2.92 5.88 -4.81 -1.43 4.13 -1.26 -5.02 115.26 109.83 1rwu n ASN 6 Ca -0.19 -3.31 -0.26 0.00 1.68 0.00 0.00 54.58 52.50 1rwu n ASN 6 Cb 0.64 -1.24 -0.05 0.00 -1.54 0.00 0.00 39.78 37.59 1rwu n ASN 6 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1rwu s GLU 7 N -2.32 2.93 -0.03 3.52 2.12 -1.26 -5.03 118.70 118.63 1rwu s GLU 7 Ca 0.31 -0.88 -0.17 0.00 0.36 0.00 0.00 54.97 54.59 1rwu s GLU 7 Cb 0.01 -2.65 -0.32 0.00 0.26 0.00 0.00 34.13 31.43 1rwu s GLU 7 CO 0.04 0.47 0.84 -0.07 -0.54 0.00 0.00 175.26 176.00 1rwu h LEU 8 N 2.26 0.64 0.00 2.70 -0.00 -2.00 -3.37 115.31 115.54 1rwu h LEU 8 Ca -0.48 -0.92 -0.33 0.00 -0.00 0.00 0.00 57.88 56.15 1rwu h LEU 8 Cb 1.21 -0.21 -0.06 0.00 -0.00 0.00 0.00 40.66 41.60 1rwu h LEU 8 CO 0.63 1.63 -2.01 0.00 -0.00 0.00 0.00 178.44 178.69 1rwu n LEU 9 N -3.84 0.59 -3.64 1.67 -0.00 -1.26 -5.02 117.00 105.49 1rwu n LEU 9 Ca -0.19 0.23 -0.22 0.00 -0.00 0.00 0.00 56.01 55.83 1rwu n LEU 9 Cb 0.99 0.26 0.01 0.00 -0.00 0.00 0.00 43.42 44.68 1rwu n LEU 9 CO 0.53 0.45 -0.08 1.21 -0.00 0.00 0.00 177.39 179.50 1rwu n GLU 10 N -2.94 -1.31 -3.42 1.47 4.07 -1.26 -4.92 120.64 112.34 1rwu n GLU 10 Ca -0.24 0.81 -0.38 0.00 -0.06 0.00 0.00 57.16 57.28 1rwu n GLU 10 Cb 1.10 -3.37 -0.08 0.00 -0.06 0.00 0.00 31.44 29.03 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 3.37 -0.31 4.31 5.36 -1.23 -4.92 117.98 121.44 1rwu s PHE 11 Ca 0.13 0.58 -0.29 0.00 -0.96 0.00 0.00 56.93 56.38 1rwu s PHE 11 Cb -0.05 -2.50 -0.01 0.00 -0.34 0.00 0.00 43.02 40.11 1rwu s PHE 11 CO 0.87 -0.00 1.61 -1.25 -1.46 0.00 0.00 175.22 174.98 1rwu s PRO 12 N 1.28 3.60 0.00 10.12 0.04 -1.26 -4.20 135.00 144.58 1rwu s PRO 12 Ca 0.18 1.38 0.08 0.00 0.04 0.00 0.00 61.00 62.68 1rwu s PRO 12 Cb -0.15 -4.08 -0.02 0.00 0.04 0.00 0.00 34.50 30.30 1rwu s PRO 12 CO 0.08 -1.54 -0.24 -0.08 0.04 0.00 0.00 177.00 175.26 1rwu s THR 13 N 5.76 1.93 0.07 1.26 -1.32 -0.69 -4.89 115.64 117.76 1rwu s THR 13 Ca 0.71 -1.13 -0.31 0.00 -1.21 0.00 0.00 61.69 59.75 1rwu s THR 13 Cb -0.21 -1.62 -0.06 0.00 -1.51 0.00 0.00 72.50 69.10 1rwu s THR 13 CO 0.31 0.46 1.26 -2.16 -2.21 0.00 0.00 174.62 172.28 1rwu s PRO 14 N -0.79 4.39 -0.45 7.08 0.04 -1.26 -2.19 135.00 141.81 1rwu s PRO 14 Ca 0.10 1.86 -0.06 0.00 0.04 0.00 0.00 61.00 62.93 1rwu s PRO 14 Cb -0.09 -3.34 0.12 0.00 0.04 0.00 0.00 34.50 31.23 1rwu s PRO 14 CO 0.00 -0.33 0.29 -0.06 0.04 0.00 0.00 177.00 176.94 1rwu s PHE 15 N 1.18 3.50 -0.88 0.56 0.08 0.16 -4.94 117.98 117.64 1rwu s PHE 15 Ca 0.60 -2.13 -0.25 0.00 0.12 0.00 0.00 56.93 55.28 1rwu s PHE 15 Cb -0.31 -3.38 -0.01 0.00 -0.57 0.00 0.00 43.02 38.75 1rwu s PHE 15 CO 0.29 -0.98 1.71 0.99 -0.10 0.00 0.00 175.22 177.13 1rwu s THR 16 N 1.22 3.61 -0.46 0.64 2.01 -1.26 -2.58 115.64 118.82 1rwu s THR 16 Ca 0.07 -0.32 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 1rwu s THR 16 Cb -0.25 -4.41 0.09 0.00 0.01 0.00 0.00 72.50 67.94 1rwu s THR 16 CO -0.02 -1.34 0.35 -0.31 -0.69 0.00 0.00 174.62 172.61 1rwu s TYR 17 N 7.92 3.31 -0.79 4.92 1.51 -0.97 -4.86 117.35 128.39 1rwu s TYR 17 Ca 0.59 -1.34 -0.25 0.00 -1.01 0.00 0.00 57.07 55.06 1rwu s TYR 17 Cb -0.06 -3.21 0.05 0.00 -0.11 0.00 0.00 41.96 38.63 1rwu s TYR 17 CO 0.01 -0.87 1.24 0.15 -1.11 0.00 0.00 175.55 174.97 1rwu s LYS 18 N 1.51 3.28 -0.83 -0.62 1.02 -1.26 -0.98 119.74 121.87 1rwu s LYS 18 Ca 0.04 -0.63 -0.26 0.00 0.02 0.00 0.00 55.97 55.14 1rwu s LYS 18 Cb -0.25 -4.46 0.04 0.00 -0.52 0.00 0.00 37.83 32.64 1rwu s LYS 18 CO 0.03 -2.07 1.34 0.08 -0.92 0.00 0.00 175.35 173.81 1rwu s VAL 19 N 5.05 3.78 -0.21 3.17 1.01 0.26 -0.54 120.40 132.91 1rwu s VAL 19 Ca 0.34 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.27 1rwu s VAL 19 Cb -0.08 -4.96 -0.05 0.00 0.00 0.00 0.00 36.38 31.29 1rwu s VAL 19 CO 0.08 -1.88 0.12 -0.04 0.00 0.00 0.00 175.10 173.38 1rwu s MET 20 N 5.51 4.05 0.00 2.72 -1.94 0.12 -2.13 119.30 127.62 1rwu s MET 20 Ca 0.39 -0.29 0.00 0.00 -1.71 0.00 0.00 55.69 54.08 1rwu s MET 20 Cb -0.06 -3.41 0.00 0.00 2.01 0.00 0.00 34.83 33.38 1rwu s MET 20 CO 0.07 0.16 0.00 0.41 -0.01 0.00 0.00 175.02 175.66 1rwu n GLY 21 N 3.93 3.37 3.56 -0.03 0.00 -0.74 -1.33 105.19 113.96 1rwu n GLY 21 Ca -0.16 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 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 1.12 -1.35 -0.98 1.61 2.00 -0.75 -1.07 119.66 120.24 1rwu s GLN 22 Ca 0.00 -0.01 -0.23 0.00 -2.00 0.00 0.00 55.36 53.11 1rwu s GLN 22 Cb 0.00 -1.58 0.04 0.00 0.80 0.00 0.00 33.01 32.28 1rwu s GLN 22 CO 0.00 -3.81 1.46 0.00 -0.50 0.00 0.00 175.29 172.45 1rwu s ALA 23 N -2.92 2.65 -0.04 1.58 0.00 -1.20 -3.19 121.76 118.65 1rwu s ALA 23 Ca 0.70 -2.12 0.02 0.00 0.00 0.00 0.00 51.96 50.56 1rwu s ALA 23 Cb -0.11 -4.50 0.01 0.00 0.00 0.00 0.00 23.12 18.53 1rwu s ALA 23 CO 0.56 -3.65 -0.06 -0.48 0.00 0.00 0.00 175.76 172.13 1rwu s LEU 24 N 5.35 1.53 0.00 0.00 0.05 -1.26 -4.94 118.68 119.41 1rwu s LEU 24 Ca 0.46 -0.15 0.25 0.00 0.05 0.00 0.00 54.13 54.75 1rwu s LEU 24 Cb -0.01 -0.47 1.34 0.00 -2.05 0.00 0.00 46.19 45.00 1rwu s LEU 24 CO -0.07 -0.01 1.86 -0.81 -0.55 0.00 0.00 176.35 176.77 1rwu n PRO 25 N 3.73 0.48 0.00 1.48 -0.04 -1.26 -3.35 135.00 136.03 1rwu n PRO 25 Ca -0.22 0.04 0.15 0.00 -0.04 0.00 0.00 63.50 63.42 1rwu n PRO 25 Cb 0.52 -1.50 0.75 0.00 -0.04 0.00 0.00 33.50 33.24 1rwu n PRO 25 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1rwu n GLU 26 N -1.21 0.42 -0.14 0.54 0.00 -1.26 -3.76 120.64 115.22 1rwu n GLU 26 Ca 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 57.16 57.22 1rwu n GLU 26 Cb 0.17 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.20 1rwu n GLU 26 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.13 178.50 1rwu h LEU 27 N 0.01 0.88 -0.35 4.31 8.10 -1.90 -2.50 115.31 123.86 1rwu h LEU 27 Ca 0.00 -0.25 -0.17 0.00 0.11 0.00 0.00 57.88 57.57 1rwu h LEU 27 Cb 0.29 -0.24 -0.02 0.00 -0.44 0.00 0.00 40.66 40.25 1rwu h LEU 27 CO 0.00 0.97 -0.81 1.62 -4.11 0.00 0.00 178.44 176.11 1rwu h VAL 28 N 0.82 1.57 0.21 0.15 3.04 -1.86 -2.13 116.25 118.04 1rwu h VAL 28 Ca 0.14 -2.80 -0.01 0.00 -1.01 0.00 0.00 66.70 63.03 1rwu h VAL 28 Cb 0.56 2.52 0.00 0.00 -2.01 0.00 0.00 31.29 32.35 1rwu h VAL 28 CO 0.03 0.80 -0.10 -0.78 -1.01 0.00 0.00 177.57 176.51 1rwu h ASP 29 N 0.00 -0.24 -0.41 3.17 3.58 -1.69 -2.41 116.42 118.41 1rwu h ASP 29 Ca -0.01 -0.28 -0.12 0.00 0.42 0.00 0.00 57.03 57.05 1rwu h ASP 29 Cb 1.45 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.55 1rwu h ASP 29 CO 0.11 0.20 -0.18 -0.61 -2.88 0.00 0.00 179.24 175.87 1rwu h GLN 30 N -0.75 0.91 0.65 0.28 5.75 -1.56 -2.28 115.11 118.11 1rwu h GLN 30 Ca -0.03 -0.36 -0.03 0.00 -0.15 0.00 0.00 58.65 58.08 1rwu h GLN 30 Cb 0.50 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.01 1rwu h GLN 30 CO 0.05 1.01 -0.34 0.28 -2.65 0.00 0.00 178.83 177.18 1rwu h VAL 31 N 0.79 0.30 -0.31 2.39 2.07 -1.44 0.13 116.25 120.19 1rwu h VAL 31 Ca 0.11 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 1rwu h VAL 31 Cb 0.73 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1rwu h VAL 31 CO 0.06 0.00 0.05 1.62 0.02 0.00 0.00 177.57 179.32 1rwu h VAL 32 N -0.91 1.16 0.16 2.57 3.04 -1.47 -0.58 116.25 120.22 1rwu h VAL 32 Ca -0.09 -0.59 -0.01 0.00 -1.01 0.00 0.00 66.70 65.01 1rwu h VAL 32 Cb 0.71 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1rwu h VAL 32 CO 0.12 0.21 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.49 1rwu h GLU 33 N 0.45 -0.20 0.00 4.17 5.08 -1.22 -2.10 114.58 120.76 1rwu h GLU 33 Ca 0.10 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1rwu h GLU 33 Cb 0.22 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1rwu h GLU 33 CO 0.00 0.17 -0.11 -0.24 -1.00 0.00 0.00 179.01 177.83 1rwu h VAL 34 N -0.95 0.48 0.05 3.13 3.04 -0.76 -2.23 116.25 119.00 1rwu h VAL 34 Ca -0.02 -0.54 -0.28 0.00 -1.01 0.00 0.00 66.70 64.84 1rwu h VAL 34 Cb 0.46 1.37 -0.03 0.00 -2.01 0.00 0.00 31.29 31.08 1rwu h VAL 34 CO 0.03 0.11 -1.51 1.62 -1.01 0.00 0.00 177.57 176.81 1rwu h VAL 35 N 0.00 1.13 0.00 1.51 3.04 -1.17 -3.13 116.25 117.63 1rwu h VAL 35 Ca -0.00 -2.87 -0.14 0.00 -1.01 0.00 0.00 66.70 62.68 1rwu h VAL 35 Cb 0.36 2.63 -0.02 0.00 -2.01 0.00 0.00 31.29 32.25 1rwu h VAL 35 CO 0.01 0.73 -0.65 0.06 -1.01 0.00 0.00 177.57 176.72 1rwu h GLN 36 N 0.03 0.00 0.18 4.17 3.07 -1.18 -0.51 115.11 120.87 1rwu h GLN 36 Ca -0.22 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.21 1rwu h GLN 36 Cb 1.96 0.00 0.03 0.00 0.08 0.00 0.00 27.48 29.55 1rwu h GLN 36 CO 0.12 0.65 -1.35 0.00 0.09 0.00 0.00 178.83 178.34 1rwu h ARG 37 N 0.00 0.57 0.08 0.06 -0.00 -1.53 -3.38 114.38 110.17 1rwu h ARG 37 Ca -0.01 -0.85 -0.25 0.00 -0.50 0.00 0.00 59.98 58.38 1rwu h ARG 37 Cb 1.44 0.30 -0.01 0.00 0.00 0.00 0.00 29.97 31.69 1rwu h ARG 37 CO 0.08 1.39 -1.29 1.25 0.00 0.00 0.00 179.97 181.41 1rwu h HIS 38 N 0.21 0.30 -2.78 3.04 2.76 -1.63 -3.47 115.15 113.58 1rwu h HIS 38 Ca -0.21 -0.22 -0.59 0.00 -2.20 0.00 0.00 60.37 57.15 1rwu h HIS 38 Cb 2.03 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 30.94 1rwu h HIS 38 CO 0.12 1.50 -0.50 0.00 -1.30 0.00 0.00 177.93 177.75 1rwu s ALA 39 N -2.43 3.94 0.31 5.26 0.00 -0.20 -5.07 121.76 123.58 1rwu s ALA 39 Ca -0.22 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 50.51 1rwu s ALA 39 Cb 0.04 -1.76 -0.10 0.00 0.00 0.00 0.00 23.12 21.31 1rwu s ALA 39 CO 0.72 0.70 1.18 -1.25 0.00 0.00 0.00 175.76 177.10 1rwu s PRO 40 N -2.81 4.47 0.00 0.00 0.04 -1.26 -4.22 135.00 131.22 1rwu s PRO 40 Ca 0.34 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1rwu s PRO 40 Cb -0.12 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1rwu s PRO 40 CO 0.28 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.74 1rwu n GLY 41 N 0.98 -2.41 3.88 0.56 0.00 -1.26 -4.92 105.19 102.01 1rwu n GLY 41 Ca -0.00 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.20 6.53 0.30 1.61 1.11 -1.26 -4.23 116.67 116.53 1rwu s ASP 42 Ca 0.00 0.61 0.06 0.00 0.18 0.00 0.00 52.55 53.40 1rwu s ASP 42 Cb 0.00 -2.11 -0.06 0.00 1.07 0.00 0.00 42.92 41.82 1rwu s ASP 42 CO 0.00 0.27 -0.03 -0.31 1.18 0.00 0.00 175.17 176.29 1rwu s TYR 43 N -1.25 2.00 0.03 4.23 2.02 -1.26 -5.01 117.35 118.10 1rwu s TYR 43 Ca 0.26 -0.76 -0.01 0.00 -0.37 0.00 0.00 57.07 56.19 1rwu s TYR 43 Cb -0.13 -1.20 -0.02 0.00 -0.40 0.00 0.00 41.96 40.20 1rwu s TYR 43 CO 0.15 0.23 -0.00 0.99 -1.57 0.00 0.00 175.55 175.34 1rwu s THR 44 N -3.05 0.13 -0.23 -0.71 2.01 -1.26 -4.15 115.64 108.37 1rwu s THR 44 Ca 0.31 -1.08 -0.14 0.00 0.31 0.00 0.00 61.69 61.09 1rwu s THR 44 Cb 0.05 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 1rwu s THR 44 CO 0.13 -0.59 0.34 -2.16 -0.69 0.00 0.00 174.62 171.64 1rwu s PRO 45 N -2.03 4.10 -0.89 4.92 0.04 -1.26 -2.85 135.00 137.03 1rwu s PRO 45 Ca -0.10 0.04 -0.25 0.00 0.04 0.00 0.00 61.00 60.73 1rwu s PRO 45 Cb -0.06 -3.58 0.01 0.00 0.04 0.00 0.00 34.50 30.91 1rwu s PRO 45 CO -0.03 -0.10 1.64 0.99 0.04 0.00 0.00 177.00 179.55 1rwu s THR 46 N 1.51 3.66 0.21 1.26 2.01 0.87 -4.54 115.64 120.62 1rwu s THR 46 Ca 0.15 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 1rwu s THR 46 Cb -0.15 -4.55 -0.08 0.00 0.01 0.00 0.00 72.50 67.73 1rwu s THR 46 CO 0.08 -1.47 0.91 0.54 -0.69 0.00 0.00 174.62 173.99 1rwu s VAL 47 N 7.31 4.17 -0.19 3.82 0.11 -1.26 -1.72 120.40 132.64 1rwu s VAL 47 Ca 0.55 2.02 -0.04 0.00 -2.93 0.00 0.00 61.98 61.57 1rwu s VAL 47 Cb -0.05 -4.29 0.08 0.00 -1.53 0.00 0.00 36.38 30.58 1rwu s VAL 47 CO 0.01 0.48 0.16 -1.59 -3.33 0.00 0.00 175.10 170.83 1rwu s LYS 48 N -1.04 0.13 -0.05 1.54 -2.85 0.12 -4.94 119.74 112.65 1rwu s LYS 48 Ca 0.41 0.03 -0.30 0.00 -1.00 0.00 0.00 55.97 55.11 1rwu s LYS 48 Cb -0.25 -1.49 -0.03 0.00 -2.06 0.00 0.00 37.83 34.00 1rwu s LYS 48 CO 0.31 -0.69 1.12 -1.25 0.10 0.00 0.00 175.35 174.94 1rwu s PRO 49 N 2.23 4.41 -0.02 1.78 0.04 -1.26 -2.39 135.00 139.78 1rwu s PRO 49 Ca 0.05 1.58 -0.21 0.00 0.04 0.00 0.00 61.00 62.45 1rwu s PRO 49 Cb -0.16 -3.51 -0.26 0.00 0.04 0.00 0.00 34.50 30.61 1rwu s PRO 49 CO -0.12 -0.34 1.02 0.66 0.04 0.00 0.00 177.00 178.26 1rwu h SER 50 N 7.20 0.45 -1.99 6.66 4.64 -1.92 -3.48 113.55 125.11 1rwu h SER 50 Ca -0.35 -0.83 0.00 0.00 -0.47 0.00 0.00 61.79 60.14 1rwu h SER 50 Cb 1.17 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1rwu h SER 50 CO 0.85 1.23 0.00 -1.20 -0.87 0.00 0.00 176.83 176.84 1rwu n SER 51 N -4.24 1.71 -4.59 4.97 7.64 -1.26 -5.05 113.62 112.81 1rwu n SER 51 Ca -0.11 -0.57 -0.40 0.00 1.01 0.00 0.00 58.87 58.80 1rwu n SER 51 Cb 0.69 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.81 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 -0.70 3.89 -1.14 1.43 2.20 -1.26 -4.26 119.74 119.89 1rwu s LYS 52 Ca 0.00 0.01 -0.05 0.00 -0.36 0.00 0.00 55.97 55.57 1rwu s LYS 52 Cb 0.00 -3.71 0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1rwu s LYS 52 CO 0.00 -0.41 0.29 0.41 -0.36 0.00 0.00 175.35 175.28 1rwu n GLY 53 N 4.67 -0.49 0.44 5.54 0.00 -1.26 -4.84 105.19 109.25 1rwu n GLY 53 Ca -0.07 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.08 0.65 -3.81 1.61 5.15 -1.26 -4.70 115.26 110.82 1rwu n ASN 54 Ca -0.07 0.10 -0.13 0.00 -0.60 0.00 0.00 54.58 53.89 1rwu n ASN 54 Cb 0.57 -0.41 -0.14 0.00 -0.53 0.00 0.00 39.78 39.27 1rwu n ASN 54 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1rwu s TYR 55 N -1.63 -0.10 -0.17 1.20 5.04 -1.26 -3.22 117.35 117.22 1rwu s TYR 55 Ca -0.07 0.28 -0.00 0.00 -2.44 0.00 0.00 57.07 54.84 1rwu s TYR 55 Cb 0.01 -0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.30 1rwu s TYR 55 CO 0.10 -0.08 -0.14 -1.01 -1.34 0.00 0.00 175.55 173.08 1rwu s HIS 56 N 0.38 2.81 -0.24 4.97 3.76 -0.24 -2.75 115.29 123.98 1rwu s HIS 56 Ca -0.03 -1.12 -0.06 0.00 -0.15 0.00 0.00 55.06 53.70 1rwu s HIS 56 Cb -0.04 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.70 1rwu s HIS 56 CO -0.01 -0.54 0.02 -1.12 -0.85 0.00 0.00 174.74 172.24 1rwu s SER 57 N 0.99 4.77 0.12 1.40 0.01 -1.00 -1.78 113.70 118.21 1rwu s SER 57 Ca -0.02 -0.30 0.08 0.00 1.31 0.00 0.00 55.95 57.03 1rwu s SER 57 Cb -0.15 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 1rwu s SER 57 CO -0.03 -0.03 -0.20 0.68 0.41 0.00 0.00 173.24 174.07 1rwu s VAL 58 N 1.55 1.77 -0.30 3.43 -7.23 -0.91 0.11 120.40 118.83 1rwu s VAL 58 Ca 0.06 -1.67 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1rwu s VAL 58 Cb -0.15 -1.67 0.08 0.00 0.56 0.00 0.00 36.38 35.20 1rwu s VAL 58 CO 0.01 -0.13 -0.02 -0.55 -0.31 0.00 0.00 175.10 174.10 1rwu s SER 59 N -2.15 4.67 -0.13 4.85 0.15 -0.70 0.89 113.70 121.28 1rwu s SER 59 Ca 0.10 -1.69 -0.17 0.00 0.70 0.00 0.00 55.95 54.89 1rwu s SER 59 Cb -0.09 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.56 1rwu s SER 59 CO 0.05 -0.29 0.42 -0.51 1.20 0.00 0.00 173.24 174.11 1rwu s ILE 60 N 1.05 5.23 -0.21 6.45 1.10 -0.15 -0.09 121.20 134.58 1rwu s ILE 60 Ca -0.00 0.82 -0.24 0.00 -0.51 0.00 0.00 60.65 60.71 1rwu s ILE 60 Cb -0.20 -3.76 -0.01 0.00 0.15 0.00 0.00 42.46 38.64 1rwu s ILE 60 CO -0.05 0.34 0.80 -0.89 -2.11 0.00 0.00 174.94 173.03 1rwu s THR 61 N 0.59 4.88 -0.23 4.00 2.01 -1.13 -2.30 115.64 123.46 1rwu s THR 61 Ca 0.23 1.53 -0.00 0.00 0.31 0.00 0.00 61.69 63.76 1rwu s THR 61 Cb -0.14 -4.10 0.06 0.00 0.01 0.00 0.00 72.50 68.33 1rwu s THR 61 CO 0.08 -0.01 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.35 1rwu s ILE 62 N 2.43 1.29 -0.83 1.82 1.01 -1.07 -4.50 121.20 121.35 1rwu s ILE 62 Ca 0.35 -1.11 -0.19 0.00 0.00 0.00 0.00 60.65 59.70 1rwu s ILE 62 Cb -0.16 -1.64 0.12 0.00 0.01 0.00 0.00 42.46 40.79 1rwu s ILE 62 CO 0.10 -0.17 1.02 0.21 0.00 0.00 0.00 174.94 176.10 1rwu s ASN 63 N 1.50 6.51 -0.04 3.58 2.47 -1.26 0.36 114.94 128.06 1rwu s ASN 63 Ca -0.04 -1.84 0.06 0.00 0.42 0.00 0.00 52.86 51.47 1rwu s ASN 63 Cb -0.18 -2.38 -0.02 0.00 -1.45 0.00 0.00 41.25 37.22 1rwu s ASN 63 CO -0.08 -1.10 -0.21 0.00 -3.72 0.00 0.00 177.10 171.99 1rwu s ALA 64 N 2.73 2.35 -0.75 1.71 0.00 -0.93 -4.52 121.76 122.35 1rwu s ALA 64 Ca 0.27 -1.06 0.24 0.00 0.00 0.00 0.00 51.96 51.41 1rwu s ALA 64 Cb -0.10 -0.72 0.91 0.00 0.00 0.00 0.00 23.12 23.21 1rwu s ALA 64 CO -0.04 0.52 1.73 0.25 0.00 0.00 0.00 175.76 178.22 1rwu n THR 65 N 2.46 0.64 -4.29 0.00 -2.24 -1.26 -1.71 114.28 107.88 1rwu n THR 65 Ca -0.17 0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.44 1rwu n THR 65 Cb 0.52 -0.84 -0.13 0.00 -2.10 0.00 0.00 70.33 67.78 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 -3.14 1.35 0.01 4.78 2.46 -1.26 -3.56 115.29 115.93 1rwu s HIS 66 Ca 0.08 -0.41 0.27 0.00 0.47 0.00 0.00 55.06 55.48 1rwu s HIS 66 Cb 0.12 -0.77 0.96 0.00 -0.13 0.00 0.00 32.58 32.76 1rwu s HIS 66 CO 0.46 0.08 1.83 0.97 -2.47 0.00 0.00 174.74 175.61 1rwu h ILE 67 N 4.34 0.25 0.00 0.89 2.10 -1.96 -3.00 117.51 120.12 1rwu h ILE 67 Ca -0.41 -0.91 -0.06 0.00 1.08 0.00 0.00 64.86 64.56 1rwu h ILE 67 Cb 1.18 1.74 -0.01 0.00 -1.09 0.00 0.00 36.82 38.64 1rwu h ILE 67 CO 0.42 0.11 -0.29 1.05 -1.08 0.00 0.00 178.15 178.35 1rwu h GLU 68 N 0.00 0.00 0.02 2.19 -0.00 -1.96 -2.90 114.58 111.93 1rwu h GLU 68 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1rwu h GLU 68 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.48 1rwu h GLU 68 CO 0.01 0.29 -0.01 0.37 -0.00 0.00 0.00 179.01 179.68 1rwu h GLN 69 N 0.00 -0.03 -0.10 1.06 4.15 -1.76 -2.41 115.11 116.02 1rwu h GLN 69 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 1rwu h GLN 69 Cb 0.98 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 1rwu h GLN 69 CO 0.04 0.52 -0.24 -0.24 -1.93 0.00 0.00 178.83 176.98 1rwu h VAL 70 N -0.59 1.22 -0.19 2.39 3.04 -1.66 -1.96 116.25 118.51 1rwu h VAL 70 Ca -0.00 -1.02 -0.02 0.00 -1.01 0.00 0.00 66.70 64.65 1rwu h VAL 70 Cb 0.56 1.41 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 1rwu h VAL 70 CO 0.00 0.30 0.02 -0.08 -1.01 0.00 0.00 177.57 176.81 1rwu h GLU 71 N 0.15 0.31 -0.40 4.17 4.22 -1.51 -2.17 114.58 119.36 1rwu h GLU 71 Ca 0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 59.36 59.35 1rwu h GLU 71 Cb 0.52 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1rwu h GLU 71 CO 0.04 0.48 0.12 1.15 -2.18 0.00 0.00 179.01 178.62 1rwu h THR 72 N 0.09 1.17 -0.80 0.32 2.02 -1.21 -2.10 112.91 112.40 1rwu h THR 72 Ca 0.06 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 1rwu h THR 72 Cb 0.33 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 1rwu h THR 72 CO 0.00 0.21 0.41 -0.07 0.37 0.00 0.00 175.52 176.45 1rwu h LEU 73 N 0.57 1.02 -0.68 2.58 4.07 -1.02 -1.69 115.31 120.16 1rwu h LEU 73 Ca 0.14 -0.12 -0.07 0.00 0.08 0.00 0.00 57.88 57.91 1rwu h LEU 73 Cb 0.18 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 1rwu h LEU 73 CO -0.01 0.84 0.16 0.22 -1.08 0.00 0.00 178.44 178.58 1rwu h TYR 74 N 1.11 1.15 -0.77 1.13 3.20 -0.76 -1.39 116.97 120.64 1rwu h TYR 74 Ca 0.28 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1rwu h TYR 74 Cb 0.07 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 37.98 1rwu h TYR 74 CO 0.01 0.94 0.41 0.93 -1.64 0.00 0.00 178.16 178.81 1rwu h GLU 75 N 1.03 1.08 0.03 1.82 3.07 -0.94 0.60 114.58 121.26 1rwu h GLU 75 Ca 0.21 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1rwu h GLU 75 Cb 0.38 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1rwu h GLU 75 CO 0.00 0.80 -0.02 0.93 -1.40 0.00 0.00 179.01 179.32 1rwu h GLU 76 N 1.08 -0.04 0.00 2.33 3.07 -0.97 -2.82 114.58 117.23 1rwu h GLU 76 Ca 0.27 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.04 1rwu h GLU 76 Cb 0.04 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1rwu h GLU 76 CO -0.04 0.49 -0.46 1.37 -1.40 0.00 0.00 179.01 178.96 1rwu h LEU 77 N -0.60 0.00 -3.98 1.33 8.10 -1.17 -3.08 115.31 115.91 1rwu h LEU 77 Ca -0.00 0.00 -0.64 0.00 0.11 0.00 0.00 57.88 57.34 1rwu h LEU 77 Cb 0.55 0.00 -0.30 0.00 -0.44 0.00 0.00 40.66 40.47 1rwu h LEU 77 CO 0.01 0.46 0.77 0.61 -4.11 0.00 0.00 178.44 176.18 1rwu n GLY 78 N 0.20 5.65 0.75 0.17 0.00 0.21 -4.37 105.19 107.80 1rwu n GLY 78 Ca -0.01 -2.10 0.08 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.96 1.83 -1.53 1.61 4.81 -1.07 -4.77 118.16 118.09 1rwu n LYS 79 Ca 0.61 -1.77 -0.33 0.00 -0.87 0.00 0.00 58.31 55.95 1rwu n LYS 79 Cb 0.85 -1.34 0.07 0.00 0.02 0.00 0.00 35.03 34.64 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 -1.22 2.95 0.51 3.15 1.01 -1.26 -4.89 121.20 121.45 1rwu s ILE 80 Ca 0.24 0.42 0.29 0.00 0.00 0.00 0.00 60.65 61.60 1rwu s ILE 80 Cb 0.15 -2.91 0.33 0.00 0.01 0.00 0.00 42.46 40.04 1rwu s ILE 80 CO 0.21 -0.30 2.17 -0.78 0.00 0.00 0.00 174.94 176.25 1rwu h ASP 81 N -0.36 0.00 -4.25 3.58 3.58 -2.00 -3.43 116.42 113.54 1rwu h ASP 81 Ca -0.46 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.50 1rwu h ASP 81 Cb 1.26 0.00 0.12 0.00 1.72 0.00 0.00 39.33 42.43 1rwu h ASP 81 CO 0.52 0.06 0.32 -0.63 -2.88 0.00 0.00 179.24 176.62 1rwu s ILE 82 N -4.42 3.12 -0.47 2.25 -1.09 -1.26 -4.93 121.20 114.40 1rwu s ILE 82 Ca -0.04 0.36 -0.28 0.00 -2.23 0.00 0.00 60.65 58.47 1rwu s ILE 82 Cb 0.14 -3.04 -0.01 0.00 -1.58 0.00 0.00 42.46 37.98 1rwu s ILE 82 CO 0.56 -0.48 1.66 -0.69 -1.23 0.00 0.00 174.94 174.77 1rwu s VAL 83 N -3.08 3.59 -0.22 2.92 1.01 -1.26 -4.96 120.40 118.41 1rwu s VAL 83 Ca 0.61 0.53 0.02 0.00 0.00 0.00 0.00 61.98 63.14 1rwu s VAL 83 Cb -0.15 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.27 1rwu s VAL 83 CO 0.55 -0.77 -0.12 -0.60 0.00 0.00 0.00 175.10 174.15 1rwu s ARG 84 N 5.85 2.29 0.41 2.72 6.06 -1.26 -1.80 118.95 133.21 1rwu s ARG 84 Ca 0.67 -1.02 0.06 0.00 -2.50 0.00 0.00 55.73 52.95 1rwu s ARG 84 Cb -0.16 -2.62 -0.07 0.00 0.06 0.00 0.00 34.95 32.16 1rwu s ARG 84 CO 0.28 -0.44 0.01 -1.64 -2.50 0.00 0.00 175.30 171.02 1rwu s MET 85 N 1.27 1.95 0.05 5.12 -1.94 -0.44 -4.81 119.30 120.51 1rwu s MET 85 Ca -0.03 -2.11 0.01 0.00 -1.71 0.00 0.00 55.69 51.85 1rwu s MET 85 Cb -0.17 -1.57 -0.03 0.00 2.01 0.00 0.00 34.83 35.07 1rwu s MET 85 CO -0.08 -0.08 -0.05 0.54 -0.01 0.00 0.00 175.02 175.34 1rwu s VAL 86 N -2.77 0.37 0.00 -6.03 0.11 -1.26 0.10 120.40 110.93 1rwu s VAL 86 Ca 0.33 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 57.94 1rwu s VAL 86 Cb 0.09 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1rwu s VAL 86 CO 0.17 -0.71 0.00 -0.11 -3.33 0.00 0.00 175.10 171.12