#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kw5 s GLN 2 N 0.00 3.41 0.26 3.17 0.74 -1.26 0.50 119.66 126.49 3kw5 s GLN 2 Ca 0.00 -0.67 0.11 0.00 0.05 0.00 0.00 55.36 54.85 3kw5 s GLN 2 Cb 0.00 -3.58 -0.05 0.00 1.10 0.00 0.00 33.01 30.49 3kw5 s GLN 2 CO 0.00 -0.39 -0.12 0.96 -0.55 0.00 0.00 175.29 175.20 3kw5 s ILE 3 N 1.63 2.92 0.08 -2.34 -4.36 -0.02 -1.28 121.20 117.83 3kw5 s ILE 3 Ca 0.05 -2.13 0.06 0.00 -0.26 0.00 0.00 60.65 58.37 3kw5 s ILE 3 Cb -0.17 -2.53 -0.04 0.00 1.25 0.00 0.00 42.46 40.97 3kw5 s ILE 3 CO 0.07 -0.35 -0.09 -0.36 0.24 0.00 0.00 174.94 174.45 3kw5 s PHE 4 N -2.33 2.78 -0.16 1.37 0.08 -1.03 0.10 117.98 118.80 3kw5 s PHE 4 Ca 0.30 -0.13 -0.01 0.00 0.12 0.00 0.00 56.93 57.21 3kw5 s PHE 4 Cb -0.06 -1.47 0.04 0.00 -0.57 0.00 0.00 43.02 40.96 3kw5 s PHE 4 CO 0.17 0.42 -0.05 0.08 -0.10 0.00 0.00 175.22 175.74 3kw5 s VAL 5 N -1.18 1.05 -0.06 -0.44 1.01 0.20 0.26 120.40 121.24 3kw5 s VAL 5 Ca 0.21 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 3kw5 s VAL 5 Cb -0.11 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3kw5 s VAL 5 CO 0.13 0.13 0.07 -0.75 0.00 0.00 0.00 175.10 174.68 3kw5 s LYS 6 N 1.66 3.13 0.35 2.72 2.20 0.91 0.69 119.74 131.40 3kw5 s LYS 6 Ca 0.01 -0.37 0.08 0.00 -0.36 0.00 0.00 55.97 55.33 3kw5 s LYS 6 Cb -0.15 -2.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 3kw5 s LYS 6 CO -0.08 0.70 0.15 0.95 -0.36 0.00 0.00 175.35 176.71 3kw5 s THR 7 N -1.06 2.98 0.31 3.43 -4.23 -0.24 -0.02 115.64 116.80 3kw5 s THR 7 Ca 0.18 -1.69 0.06 0.00 -1.18 0.00 0.00 61.69 59.06 3kw5 s THR 7 Cb -0.12 -2.98 0.30 0.00 1.34 0.00 0.00 72.50 71.05 3kw5 s THR 7 CO 0.08 -0.17 1.80 0.25 -0.54 0.00 0.00 174.62 176.04 3kw5 h LEU 8 N 1.53 0.79 -1.51 4.79 5.85 -1.90 -1.17 115.31 123.69 3kw5 h LEU 8 Ca -0.44 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 3kw5 h LEU 8 Cb 1.25 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3kw5 h LEU 8 CO 0.63 0.33 -0.07 0.71 -0.34 0.00 0.00 178.44 179.70 3kw5 h THR 9 N 0.80 1.15 0.00 1.05 1.35 -1.95 -3.46 112.91 111.84 3kw5 h THR 9 Ca 0.55 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3kw5 h THR 9 Cb 0.81 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3kw5 h THR 9 CO -0.33 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 175.74 3kw5 n GLY 10 N -1.03 1.01 3.71 5.82 0.00 -0.44 -5.11 105.19 109.15 3kw5 n GLY 10 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3kw5 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kw5 s LYS 11 N -0.09 4.53 -0.16 1.61 2.20 -1.26 -4.83 119.74 121.75 3kw5 s LYS 11 Ca 0.00 1.54 -0.06 0.00 -0.36 0.00 0.00 55.97 57.09 3kw5 s LYS 11 Cb 0.00 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 3kw5 s LYS 11 CO 0.00 -0.10 0.03 0.99 -0.36 0.00 0.00 175.35 175.92 3kw5 s THR 12 N 0.92 4.55 -0.21 3.43 2.01 -1.26 -1.08 115.64 124.00 3kw5 s THR 12 Ca 0.54 -0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.37 3kw5 s THR 12 Cb -0.24 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 3kw5 s THR 12 CO 0.29 0.50 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.04 3kw5 s ILE 13 N 0.10 3.40 0.04 1.82 1.01 0.22 -4.91 121.20 122.88 3kw5 s ILE 13 Ca 0.03 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 3kw5 s ILE 13 Cb -0.13 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 3kw5 s ILE 13 CO 0.01 0.43 1.25 -0.89 0.00 0.00 0.00 174.94 175.75 3kw5 s THR 14 N 1.32 3.94 -0.07 2.92 2.01 -1.26 -0.63 115.64 123.87 3kw5 s THR 14 Ca 0.04 1.37 0.05 0.00 0.31 0.00 0.00 61.69 63.45 3kw5 s THR 14 Cb -0.14 -3.88 -0.00 0.00 0.01 0.00 0.00 72.50 68.49 3kw5 s THR 14 CO -0.02 0.07 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.99 3kw5 s LEU 15 N 1.48 2.04 -0.49 4.42 1.43 0.12 -4.97 118.68 122.70 3kw5 s LEU 15 Ca 0.60 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 53.02 3kw5 s LEU 15 Cb -0.30 -1.32 0.06 0.00 0.03 0.00 0.00 46.19 44.66 3kw5 s LEU 15 CO 0.28 0.19 0.52 -1.61 0.23 0.00 0.00 176.35 175.96 3kw5 s GLU 16 N 0.09 3.06 0.19 1.70 0.41 -1.26 -0.84 118.70 122.05 3kw5 s GLU 16 Ca -0.10 -1.06 0.01 0.00 -0.41 0.00 0.00 54.97 53.41 3kw5 s GLU 16 Cb -0.15 -4.10 -0.00 0.00 -1.78 0.00 0.00 34.13 28.09 3kw5 s GLU 16 CO 0.06 -1.11 0.04 1.33 -0.49 0.00 0.00 175.26 175.08 3kw5 n VAL 17 N 5.44 0.00 -3.77 2.63 0.24 0.18 -4.89 118.33 118.16 3kw5 n VAL 17 Ca -0.09 -1.04 -0.13 0.00 -2.04 0.00 0.00 64.34 61.04 3kw5 n VAL 17 Cb 0.45 0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 33.04 3kw5 n VAL 17 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3kw5 s GLU 18 N -2.72 0.60 0.44 7.34 2.12 -1.26 0.20 118.70 125.42 3kw5 s GLU 18 Ca 0.06 -0.09 0.22 0.00 0.36 0.00 0.00 54.97 55.52 3kw5 s GLU 18 Cb 0.00 0.27 1.19 0.00 0.26 0.00 0.00 34.13 35.85 3kw5 s GLU 18 CO 0.04 -0.15 1.84 -1.35 -0.54 0.00 0.00 175.26 175.10 3kw5 h PRO 19 N 4.24 0.29 0.00 4.30 0.11 -1.96 -0.71 132.00 138.27 3kw5 h PRO 19 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3kw5 h PRO 19 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3kw5 h PRO 19 CO 0.38 0.19 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 3kw5 n SER 20 N -4.47 0.00 -4.72 -2.05 3.41 -1.26 -2.08 113.62 102.45 3kw5 n SER 20 Ca 0.21 0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 58.65 3kw5 n SER 20 Cb 0.82 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 3kw5 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3kw5 s ASP 21 N -2.78 7.14 0.93 4.04 1.01 -0.28 -4.79 116.67 121.95 3kw5 s ASP 21 Ca 0.14 2.01 -0.13 0.00 0.71 0.00 0.00 52.55 55.28 3kw5 s ASP 21 Cb 0.13 -2.58 0.15 0.00 1.01 0.00 0.00 42.92 41.63 3kw5 s ASP 21 CO 0.33 -0.40 1.15 0.42 0.21 0.00 0.00 175.17 176.88 3kw5 s THR 22 N 0.76 1.97 0.25 -1.27 -4.23 -1.26 -0.60 115.64 111.26 3kw5 s THR 22 Ca 0.56 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.09 3kw5 s THR 22 Cb -0.29 -2.76 0.02 0.00 1.34 0.00 0.00 72.50 70.81 3kw5 s THR 22 CO 0.30 0.00 1.64 0.40 -0.54 0.00 0.00 174.62 176.43 3kw5 h ILE 23 N -1.56 1.30 -0.49 2.99 1.08 -1.64 -2.75 117.51 116.46 3kw5 h ILE 23 Ca -0.50 -1.54 -0.05 0.00 -0.39 0.00 0.00 64.86 62.39 3kw5 h ILE 23 Cb 1.32 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 36.65 3kw5 h ILE 23 CO 0.59 0.47 0.11 -0.08 -0.69 0.00 0.00 178.15 178.55 3kw5 h GLU 24 N 0.35 0.74 -0.42 2.37 4.81 -1.89 -0.63 114.58 119.92 3kw5 h GLU 24 Ca 0.03 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3kw5 h GLU 24 Cb 0.86 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 3kw5 h GLU 24 CO 0.07 0.68 0.23 -0.91 -0.73 0.00 0.00 179.01 178.35 3kw5 h ASN 25 N 0.72 0.53 -0.24 1.04 2.35 -1.87 -0.71 115.58 117.39 3kw5 h ASN 25 Ca 0.16 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3kw5 h ASN 25 Cb 0.28 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3kw5 h ASN 25 CO -0.00 0.46 0.10 0.58 -1.65 0.00 0.00 177.43 176.93 3kw5 h VAL 26 N 0.55 1.16 -0.73 2.81 2.07 -1.17 -0.19 116.25 120.75 3kw5 h VAL 26 Ca 0.15 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.27 3kw5 h VAL 26 Cb 0.05 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3kw5 h VAL 26 CO -0.02 0.16 0.48 0.11 0.02 0.00 0.00 177.57 178.31 3kw5 h LYS 27 N 0.24 0.75 -0.25 1.57 1.57 -1.05 0.36 116.57 119.75 3kw5 h LYS 27 Ca 0.08 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 3kw5 h LYS 27 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3kw5 h LYS 27 CO -0.01 0.49 -0.27 0.00 -0.57 0.00 0.00 179.45 179.10 3kw5 h ALA 28 N 1.60 1.07 0.00 3.86 0.00 -0.51 -1.42 119.26 123.86 3kw5 h ALA 28 Ca 0.31 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3kw5 h ALA 28 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kw5 h ALA 28 CO -0.10 0.57 -0.47 0.87 0.00 0.00 0.00 179.25 180.11 3kw5 h LYS 29 N 0.43 0.00 -0.01 0.00 1.57 0.40 -2.34 116.57 116.62 3kw5 h LYS 29 Ca 0.06 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.66 3kw5 h LYS 29 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3kw5 h LYS 29 CO 0.05 0.47 -0.81 0.82 -0.57 0.00 0.00 179.45 179.41 3kw5 h ILE 30 N 0.00 1.47 -0.08 1.86 2.04 -0.60 -2.97 117.51 119.23 3kw5 h ILE 30 Ca -0.00 -2.47 -0.09 0.00 1.00 0.00 0.00 64.86 63.29 3kw5 h ILE 30 Cb 1.00 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 39.42 3kw5 h ILE 30 CO 0.06 0.72 -0.37 -0.61 0.00 0.00 0.00 178.15 177.96 3kw5 h GLN 31 N 0.12 0.16 -0.00 2.37 4.15 -1.12 -0.49 115.11 120.30 3kw5 h GLN 31 Ca -0.04 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.32 3kw5 h GLN 31 Cb 1.41 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.10 3kw5 h GLN 31 CO 0.12 0.51 0.00 -0.25 -1.93 0.00 0.00 178.83 177.28 3kw5 n ASP 32 N -4.07 0.01 0.00 -0.69 10.43 -0.90 -1.35 116.55 119.97 3kw5 n ASP 32 Ca -0.01 -1.52 0.00 0.00 2.57 0.00 0.00 54.79 55.82 3kw5 n ASP 32 Cb 0.43 -0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.39 3kw5 n ASP 32 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3kw5 n LYS 33 N -0.73 0.54 0.00 -1.24 4.76 -0.95 -4.89 118.16 115.64 3kw5 n LYS 33 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3kw5 n LYS 33 Cb 0.05 -0.93 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 3kw5 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3kw5 n GLU 34 N -2.28 5.38 -1.00 1.97 -0.58 -0.23 -5.02 120.64 118.87 3kw5 n GLU 34 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3kw5 n GLU 34 Cb 0.43 -0.45 -0.00 0.00 -0.57 0.00 0.00 31.44 30.86 3kw5 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kw5 n GLY 35 N 0.91 0.47 3.66 0.62 0.00 -0.46 -5.01 105.19 105.39 3kw5 n GLY 35 Ca 0.00 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 3kw5 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kw5 s ILE 36 N -1.96 4.69 0.48 -0.61 1.01 -1.26 -4.97 121.20 118.58 3kw5 s ILE 36 Ca 0.00 2.02 -0.23 0.00 0.00 0.00 0.00 60.65 62.44 3kw5 s ILE 36 Cb 0.00 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 38.09 3kw5 s ILE 36 CO 0.00 -0.17 1.21 -0.81 0.00 0.00 0.00 174.94 175.18 3kw5 n PRO 37 N 6.23 1.64 0.28 2.79 -0.04 -1.26 -3.91 135.00 140.73 3kw5 n PRO 37 Ca 0.12 0.59 0.19 0.00 -0.04 0.00 0.00 63.50 64.36 3kw5 n PRO 37 Cb 0.46 -2.36 0.90 0.00 -0.04 0.00 0.00 33.50 32.46 3kw5 n PRO 37 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3kw5 h PRO 38 N 1.60 0.00 0.00 0.54 0.11 -1.96 -1.63 132.00 130.66 3kw5 h PRO 38 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kw5 h PRO 38 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3kw5 h PRO 38 CO 0.57 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.92 3kw5 h ASP 39 N 0.00 0.00 -0.44 -2.05 5.19 -1.97 -3.10 116.42 114.06 3kw5 h ASP 39 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3kw5 h ASP 39 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 3kw5 h ASP 39 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 3kw5 n GLN 40 N -2.87 2.46 -4.47 3.56 6.02 -0.61 -4.93 117.38 116.54 3kw5 n GLN 40 Ca 0.02 -2.23 -0.35 0.00 -0.01 0.00 0.00 57.00 54.43 3kw5 n GLN 40 Cb 0.34 -1.45 -0.10 0.00 1.02 0.00 0.00 30.24 30.05 3kw5 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3kw5 s GLN 41 N -1.20 2.90 -0.11 -1.09 -0.21 -1.17 -2.20 119.66 116.57 3kw5 s GLN 41 Ca 0.36 -0.46 0.01 0.00 0.02 0.00 0.00 55.36 55.28 3kw5 s GLN 41 Cb 0.20 -2.71 0.02 0.00 1.00 0.00 0.00 33.01 31.51 3kw5 s GLN 41 CO 0.27 0.69 -0.12 1.03 -2.12 0.00 0.00 175.29 175.04 3kw5 s ARG 42 N -0.85 1.88 -0.22 2.91 1.81 0.98 -4.94 118.95 120.52 3kw5 s ARG 42 Ca 0.13 -0.42 -0.08 0.00 -1.72 0.00 0.00 55.73 53.65 3kw5 s ARG 42 Cb -0.11 -1.74 -0.04 0.00 -0.45 0.00 0.00 34.95 32.61 3kw5 s ARG 42 CO 0.02 -0.17 0.08 -0.51 -0.68 0.00 0.00 175.30 174.04 3kw5 s LEU 43 N 1.33 3.64 -0.14 2.53 1.43 -1.26 -0.57 118.68 125.64 3kw5 s LEU 43 Ca -0.01 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3kw5 s LEU 43 Cb -0.14 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 3kw5 s LEU 43 CO -0.05 0.05 -0.12 -0.63 0.23 0.00 0.00 176.35 175.82 3kw5 s ILE 44 N 1.13 3.10 -0.16 -0.59 -1.09 0.35 -1.63 121.20 122.31 3kw5 s ILE 44 Ca 0.05 -0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 57.82 3kw5 s ILE 44 Cb -0.14 -2.31 0.04 0.00 -1.58 0.00 0.00 42.46 38.47 3kw5 s ILE 44 CO 0.03 0.52 -0.02 0.12 -1.23 0.00 0.00 174.94 174.36 3kw5 s PHE 45 N 0.44 1.39 -1.09 3.97 5.36 -1.08 -0.75 117.98 126.22 3kw5 s PHE 45 Ca -0.09 -0.89 -0.04 0.00 -0.96 0.00 0.00 56.93 54.95 3kw5 s PHE 45 Cb -0.16 -1.17 -0.04 0.00 -0.34 0.00 0.00 43.02 41.31 3kw5 s PHE 45 CO 0.05 -0.57 0.94 0.00 -1.46 0.00 0.00 175.22 174.18 3kw5 n ALA 46 N 4.96 -2.29 -0.80 11.12 0.00 -1.26 -3.65 120.51 128.59 3kw5 n ALA 46 Ca -0.10 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3kw5 n ALA 46 Cb 0.48 -4.52 0.00 0.00 0.00 0.00 0.00 19.45 15.41 3kw5 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kw5 n GLY 47 N -1.19 0.49 3.26 0.00 0.00 -1.26 -4.97 105.19 101.51 3kw5 n GLY 47 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 3kw5 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kw5 s LYS 48 N -0.55 1.07 0.30 1.61 -0.14 -1.24 -5.14 119.74 115.65 3kw5 s LYS 48 Ca 0.00 -1.28 -0.28 0.00 -1.36 0.00 0.00 55.97 53.05 3kw5 s LYS 48 Cb 0.00 -0.96 -0.09 0.00 -1.68 0.00 0.00 37.83 35.09 3kw5 s LYS 48 CO 0.00 0.18 1.01 -0.65 -0.76 0.00 0.00 175.35 175.14 3kw5 s GLN 49 N -2.74 4.60 -0.37 1.68 -0.21 -1.26 -2.63 119.66 118.73 3kw5 s GLN 49 Ca 0.10 1.57 -0.14 0.00 0.02 0.00 0.00 55.36 56.91 3kw5 s GLN 49 Cb -0.05 -3.01 -0.00 0.00 1.00 0.00 0.00 33.01 30.95 3kw5 s GLN 49 CO 0.03 0.24 0.29 -0.51 -2.12 0.00 0.00 175.29 173.22 3kw5 s LEU 50 N -1.72 4.72 0.25 2.90 1.43 -0.65 -4.94 118.68 120.66 3kw5 s LEU 50 Ca 0.47 -0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 3kw5 s LEU 50 Cb -0.26 -2.18 -0.09 0.00 0.03 0.00 0.00 46.19 43.69 3kw5 s LEU 50 CO 0.33 -0.33 0.97 -0.70 0.23 0.00 0.00 176.35 176.84 3kw5 s GLU 51 N 1.77 4.82 0.41 1.70 2.56 -1.26 -4.70 118.70 124.00 3kw5 s GLU 51 Ca 0.07 1.54 -0.27 0.00 0.00 0.00 0.00 54.97 56.31 3kw5 s GLU 51 Cb -0.18 -3.27 -0.10 0.00 2.00 0.00 0.00 34.13 32.59 3kw5 s GLU 51 CO 0.11 0.46 1.45 -0.51 -0.56 0.00 0.00 175.26 176.21 3kw5 s ASP 52 N -1.11 6.15 0.00 -1.70 1.01 -1.26 -3.23 116.67 116.53 3kw5 s ASP 52 Ca 0.42 2.98 0.00 0.00 0.71 0.00 0.00 52.55 56.66 3kw5 s ASP 52 Cb -0.27 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.00 3kw5 s ASP 52 CO 0.34 -1.00 0.00 0.61 0.21 0.00 0.00 175.17 175.33 3kw5 n GLY 53 N 0.52 3.10 3.76 0.21 0.00 -1.26 -4.94 105.19 106.57 3kw5 n GLY 53 Ca 0.03 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 3kw5 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kw5 s ARG 54 N 0.00 4.59 0.84 1.61 0.52 -1.20 -4.76 118.95 120.54 3kw5 s ARG 54 Ca 0.00 1.73 -0.12 0.00 -0.52 0.00 0.00 55.73 56.83 3kw5 s ARG 54 Cb 0.00 -3.10 0.09 0.00 0.52 0.00 0.00 34.95 32.46 3kw5 s ARG 54 CO 0.00 0.19 1.10 0.95 0.02 0.00 0.00 175.30 177.56 3kw5 s THR 55 N -1.24 2.85 0.37 0.02 -4.23 -1.26 -1.90 115.64 110.25 3kw5 s THR 55 Ca 0.46 0.28 0.10 0.00 -1.18 0.00 0.00 61.69 61.34 3kw5 s THR 55 Cb -0.30 -2.95 0.13 0.00 1.34 0.00 0.00 72.50 70.72 3kw5 s THR 55 CO 0.38 -0.36 1.87 -0.07 -0.54 0.00 0.00 174.62 175.90 3kw5 h LEU 56 N -1.25 0.18 -1.04 4.79 3.38 -0.59 -3.07 115.31 117.70 3kw5 h LEU 56 Ca -0.48 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.37 3kw5 h LEU 56 Cb 1.28 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3kw5 h LEU 56 CO 0.58 0.41 -0.06 -1.28 0.09 0.00 0.00 178.44 178.19 3kw5 h SER 57 N 0.17 0.59 -0.13 -0.43 0.87 -1.70 -2.82 113.55 110.11 3kw5 h SER 57 Ca 0.03 -0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.48 3kw5 h SER 57 Cb 0.49 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3kw5 h SER 57 CO 0.03 0.70 0.11 0.44 -0.53 0.00 0.00 176.83 177.58 3kw5 h ASP 58 N 0.58 0.00 -0.28 6.23 3.45 -1.84 0.37 116.42 124.92 3kw5 h ASP 58 Ca 0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.57 3kw5 h ASP 58 Cb 0.45 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 3kw5 h ASP 58 CO 0.02 0.00 0.00 -1.22 -1.57 0.00 0.00 179.24 176.47 3kw5 n TYR 59 N -4.20 0.35 -3.72 4.55 4.02 -1.08 -5.00 117.16 112.08 3kw5 n TYR 59 Ca 0.00 -0.20 -0.22 0.00 -0.01 0.00 0.00 57.90 57.48 3kw5 n TYR 59 Cb 0.22 -0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.57 3kw5 n TYR 59 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3kw5 n ASN 60 N 1.33 -1.22 -4.67 7.72 3.02 0.12 -4.95 115.26 116.61 3kw5 n ASN 60 Ca 0.17 -0.83 -0.43 0.00 -0.03 0.00 0.00 54.58 53.46 3kw5 n ASN 60 Cb 0.57 -4.01 -0.02 0.00 -0.61 0.00 0.00 39.78 35.70 3kw5 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kw5 s ILE 61 N -3.67 4.41 0.37 2.41 1.09 -1.14 -5.03 121.20 119.63 3kw5 s ILE 61 Ca 0.02 1.71 -0.01 0.00 -1.10 0.00 0.00 60.65 61.26 3kw5 s ILE 61 Cb -0.01 -4.10 0.08 0.00 -1.06 0.00 0.00 42.46 37.37 3kw5 s ILE 61 CO 0.82 -0.09 0.50 0.00 -0.10 0.00 0.00 174.94 176.07 3kw5 n GLN 62 N 5.98 0.11 -2.23 2.79 1.13 -1.26 -4.87 117.38 119.04 3kw5 n GLN 62 Ca 0.12 -1.24 -0.41 0.00 -1.94 0.00 0.00 57.00 53.54 3kw5 n GLN 62 Cb 0.46 -0.37 -0.03 0.00 0.11 0.00 0.00 30.24 30.41 3kw5 n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3kw5 s LYS 63 N -3.80 4.43 -1.55 -1.09 -2.85 -1.26 -3.68 119.74 109.94 3kw5 s LYS 63 Ca 0.32 2.07 -0.05 0.00 -1.00 0.00 0.00 55.97 57.32 3kw5 s LYS 63 Cb -0.02 -3.14 0.01 0.00 -2.06 0.00 0.00 37.83 32.62 3kw5 s LYS 63 CO 0.22 -0.12 0.63 0.39 0.10 0.00 0.00 175.35 176.56 3kw5 n GLU 64 N 1.51 -5.01 -4.15 1.78 4.71 -0.40 -5.02 120.64 114.06 3kw5 n GLU 64 Ca 0.02 0.91 -0.36 0.00 -0.01 0.00 0.00 57.16 57.72 3kw5 n GLU 64 Cb 0.43 -5.77 -0.08 0.00 -1.01 0.00 0.00 31.44 25.01 3kw5 n GLU 64 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3kw5 s SER 65 N -2.73 5.75 -0.01 1.62 1.04 -1.24 -4.87 113.70 113.26 3kw5 s SER 65 Ca 0.31 0.29 -0.20 0.00 0.48 0.00 0.00 55.95 56.83 3kw5 s SER 65 Cb -0.14 -1.74 -0.05 0.00 0.10 0.00 0.00 66.02 64.19 3kw5 s SER 65 CO 0.39 0.39 0.56 -0.89 0.98 0.00 0.00 173.24 174.67 3kw5 s THR 66 N -0.96 4.94 0.16 2.02 2.01 -1.26 -2.45 115.64 120.10 3kw5 s THR 66 Ca 0.14 1.17 0.04 0.00 0.31 0.00 0.00 61.69 63.36 3kw5 s THR 66 Cb -0.12 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 3kw5 s THR 66 CO 0.03 0.43 0.18 -0.76 -0.69 0.00 0.00 174.62 173.82 3kw5 s LEU 67 N -0.22 3.98 -0.14 4.42 1.43 0.14 -4.87 118.68 123.42 3kw5 s LEU 67 Ca 0.30 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.34 3kw5 s LEU 67 Cb -0.18 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 3kw5 s LEU 67 CO 0.16 0.07 -0.05 -1.00 0.23 0.00 0.00 176.35 175.76 3kw5 s HIS 68 N -1.74 3.00 -0.28 0.29 3.76 0.08 -0.06 115.29 120.34 3kw5 s HIS 68 Ca 0.32 -0.28 -0.10 0.00 -0.15 0.00 0.00 55.06 54.85 3kw5 s HIS 68 Cb -0.10 -1.92 -0.03 0.00 1.11 0.00 0.00 32.58 31.63 3kw5 s HIS 68 CO 0.25 -0.00 0.14 -1.17 -0.85 0.00 0.00 174.74 173.11 3kw5 s LEU 69 N 0.21 3.86 -0.12 0.89 2.96 0.97 -0.50 118.68 126.94 3kw5 s LEU 69 Ca -0.03 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 3kw5 s LEU 69 Cb -0.14 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 3kw5 s LEU 69 CO 0.03 -0.08 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.21 3kw5 s VAL 70 N 1.68 3.54 -0.17 1.68 1.01 0.26 -3.98 120.40 124.42 3kw5 s VAL 70 Ca 0.06 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 3kw5 s VAL 70 Cb -0.16 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3kw5 s VAL 70 CO 0.08 0.53 -0.01 -0.76 0.00 0.00 0.00 175.10 174.93 3kw5 s LEU 71 N 0.08 3.36 -0.51 3.92 1.43 -1.26 -0.02 118.68 125.68 3kw5 s LEU 71 Ca -0.03 -0.10 -0.18 0.00 -1.03 0.00 0.00 54.13 52.79 3kw5 s LEU 71 Cb -0.14 -1.83 0.07 0.00 0.03 0.00 0.00 46.19 44.32 3kw5 s LEU 71 CO 0.03 0.15 0.58 -0.13 0.23 0.00 0.00 176.35 177.22 3kw5 s ARG 72 N 0.48 3.08 0.11 1.70 1.81 -0.93 -5.01 118.95 120.18 3kw5 s ARG 72 Ca -0.02 -1.06 0.08 0.00 -1.72 0.00 0.00 55.73 53.01 3kw5 s ARG 72 Cb -0.14 -4.13 -0.04 0.00 -0.45 0.00 0.00 34.95 30.19 3kw5 s ARG 72 CO 0.02 -1.22 -0.21 -0.51 -0.68 0.00 0.00 175.30 172.70 3kw5 s LEU 73 N 2.40 2.31 -0.10 2.53 1.43 -1.26 -4.74 118.68 121.25 3kw5 s LEU 73 Ca 0.12 -0.70 -0.17 0.00 -1.03 0.00 0.00 54.13 52.35 3kw5 s LEU 73 Cb -0.21 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 3kw5 s LEU 73 CO 0.10 0.05 0.43 -0.13 0.23 0.00 0.00 176.35 177.03 3kw5 s ARG 74 N -1.99 4.24 0.00 1.70 0.52 -1.26 -5.26 118.95 116.90 3kw5 s ARG 74 Ca 0.07 0.38 0.00 0.00 -0.52 0.00 0.00 55.73 55.66 3kw5 s ARG 74 Cb -0.10 -3.39 0.00 0.00 0.52 0.00 0.00 34.95 31.99 3kw5 s ARG 74 CO 0.04 0.29 0.36 0.41 0.02 0.00 0.00 175.30 176.42