#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcq s LYS 2 N 0.00 3.88 0.31 3.17 3.01 -0.53 -1.13 119.74 128.45 2kcq s LYS 2 Ca 0.00 -0.15 -0.19 0.00 -1.01 0.00 0.00 55.97 54.61 2kcq s LYS 2 Cb 0.00 -3.70 0.03 0.00 -1.01 0.00 0.00 37.83 33.16 2kcq s LYS 2 CO 0.00 -0.32 0.75 -0.08 0.51 0.00 0.00 175.35 176.21 2kcq s THR 3 N 1.99 0.00 0.14 2.17 -1.32 -0.18 -0.96 115.64 117.48 2kcq s THR 3 Ca 0.12 -0.99 -0.08 0.00 -1.21 0.00 0.00 61.69 59.54 2kcq s THR 3 Cb -0.16 -2.32 -0.06 0.00 -1.51 0.00 0.00 72.50 68.45 2kcq s THR 3 CO 0.11 0.00 0.42 0.42 -2.21 0.00 0.00 174.62 173.35 2kcq s THR 4 N -3.33 5.09 0.58 5.08 -4.23 -1.26 -3.81 115.64 113.76 2kcq s THR 4 Ca 0.13 0.27 0.28 0.00 -1.18 0.00 0.00 61.69 61.19 2kcq s THR 4 Cb -0.06 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.50 2kcq s THR 4 CO 0.08 0.11 2.23 1.55 -0.54 0.00 0.00 174.62 178.06 2kcq h PRO 5 N 3.10 0.00 -0.67 3.99 0.13 -1.99 -1.28 132.00 135.29 2kcq h PRO 5 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2kcq h PRO 5 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2kcq h PRO 5 CO 0.70 0.00 0.35 0.22 -0.23 0.00 0.00 178.00 179.03 2kcq h ASP 6 N 0.00 0.85 -0.52 1.44 3.58 -1.99 -1.13 116.42 118.65 2kcq h ASP 6 Ca 0.01 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 2kcq h ASP 6 Cb 0.04 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 2kcq h ASP 6 CO -0.00 0.72 0.27 0.40 -2.88 0.00 0.00 179.24 177.75 2kcq h ILE 7 N 0.92 1.18 -0.67 2.25 1.08 -1.63 -0.55 117.51 120.08 2kcq h ILE 7 Ca 0.23 -0.48 0.07 0.00 -0.39 0.00 0.00 64.86 64.28 2kcq h ILE 7 Cb 0.07 0.56 -0.06 0.00 -3.07 0.00 0.00 36.82 34.33 2kcq h ILE 7 CO -0.03 0.20 0.36 -0.07 -0.69 0.00 0.00 178.15 177.92 2kcq h LEU 8 N 0.69 0.52 -0.41 1.44 3.38 -1.28 0.13 115.31 119.78 2kcq h LEU 8 Ca 0.18 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 2kcq h LEU 8 Cb 0.07 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2kcq h LEU 8 CO -0.03 0.33 0.06 -0.78 0.09 0.00 0.00 178.44 178.11 2kcq h ASP 9 N 0.66 0.66 -0.54 -0.43 3.58 -0.88 -2.47 116.42 117.00 2kcq h ASP 9 Ca 0.31 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2kcq h ASP 9 Cb 0.23 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 2kcq h ASP 9 CO -0.20 0.77 0.29 1.56 -2.88 0.00 0.00 179.24 178.78 2kcq h GLN 10 N 0.54 0.79 -0.48 0.28 4.20 -0.38 -0.96 115.11 119.09 2kcq h GLN 10 Ca 0.12 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.76 2kcq h GLN 10 Cb 0.39 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 2kcq h GLN 10 CO 0.01 0.59 0.30 0.82 -0.67 0.00 0.00 178.83 179.88 2kcq h ILE 11 N 0.79 1.07 -0.08 2.54 2.04 -0.46 0.23 117.51 123.65 2kcq h ILE 11 Ca 0.20 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2kcq h ILE 11 Cb 0.05 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2kcq h ILE 11 CO -0.03 0.11 0.05 0.03 0.00 0.00 0.00 178.15 178.31 2kcq h ARG 12 N 0.60 0.11 -0.12 2.37 3.08 -0.87 0.17 114.38 119.71 2kcq h ARG 12 Ca 0.19 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 2kcq h ARG 12 Cb -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2kcq h ARG 12 CO -0.07 0.12 0.05 0.28 -1.07 0.00 0.00 179.97 179.28 2kcq h VAL 13 N 0.06 1.15 0.00 2.04 2.07 -1.00 -1.87 116.25 118.71 2kcq h VAL 13 Ca 0.03 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 2kcq h VAL 13 Cb 0.04 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2kcq h VAL 13 CO -0.01 0.14 -0.26 0.45 0.02 0.00 0.00 177.57 177.91 2kcq h HIS 14 N 0.03 0.00 -0.34 1.57 3.86 -0.48 0.14 115.15 119.93 2kcq h HIS 14 Ca 0.04 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 2kcq h HIS 14 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 2kcq h HIS 14 CO -0.01 0.26 -0.15 0.78 0.86 0.00 0.00 177.93 179.67 2kcq h GLY 15 N 1.07 0.75 2.00 2.45 0.00 -0.33 0.29 103.07 109.30 2kcq h GLY 15 Ca -0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 46.56 2kcq h GLY 15 CO 0.03 0.61 -0.50 0.00 0.00 0.00 0.00 176.54 176.68 2kcq h ALA 16 N 0.78 1.01 -0.56 3.60 0.00 -0.93 -2.63 119.26 120.53 2kcq h ALA 16 Ca 0.08 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 2kcq h ALA 16 Cb 0.68 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2kcq h ALA 16 CO 0.05 0.63 0.02 0.22 0.00 0.00 0.00 179.25 180.16 2kcq h ASP 17 N 0.00 0.92 -0.51 0.00 1.82 -0.54 -3.04 116.42 115.07 2kcq h ASP 17 Ca -0.01 -0.24 -0.07 0.00 -0.39 0.00 0.00 57.03 56.32 2kcq h ASP 17 Cb 0.99 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.73 2kcq h ASP 17 CO 0.07 0.97 0.03 0.00 -1.61 0.00 0.00 179.24 178.70 2kcq h ALA 18 N 1.13 0.69 -2.81 -0.78 0.00 -0.66 -3.44 119.26 113.39 2kcq h ALA 18 Ca 0.17 -0.27 -0.53 0.00 0.00 0.00 0.00 54.91 54.27 2kcq h ALA 18 Cb 0.49 -0.19 0.13 0.00 0.00 0.00 0.00 17.79 18.22 2kcq h ALA 18 CO 0.02 0.47 0.45 0.71 0.00 0.00 0.00 179.25 180.90 2kcq s TYR 19 N -5.08 2.26 -1.61 0.00 1.51 -1.02 -1.29 117.35 112.12 2kcq s TYR 19 Ca -0.12 1.54 0.29 0.00 -1.01 0.00 0.00 57.07 57.76 2kcq s TYR 19 Cb 0.12 -3.49 1.56 0.00 -0.11 0.00 0.00 41.96 40.04 2kcq s TYR 19 CO 0.82 -2.41 2.04 -2.30 -1.11 0.00 0.00 175.55 172.59 2kcq n PRO 20 N -2.02 0.58 -0.68 -1.71 -0.02 -1.26 -4.96 135.00 124.93 2kcq n PRO 20 Ca 0.14 0.01 -0.21 0.00 -2.02 0.00 0.00 63.50 61.42 2kcq n PRO 20 Cb 0.50 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.66 2kcq n PRO 20 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kcq n GLU 21 N -1.19 -2.64 -2.85 -0.52 4.71 -0.41 -5.00 120.64 112.73 2kcq n GLU 21 Ca 0.16 -1.21 -0.37 0.00 -0.01 0.00 0.00 57.16 55.74 2kcq n GLU 21 Cb 0.19 -1.16 -0.06 0.00 -1.01 0.00 0.00 31.44 29.39 2kcq n GLU 21 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2kcq s GLU 22 N -4.71 4.55 0.00 3.49 8.01 -1.26 -4.91 118.70 123.87 2kcq s GLU 22 Ca 0.49 1.25 0.00 0.00 0.01 0.00 0.00 54.97 56.72 2kcq s GLU 22 Cb -0.05 -2.89 0.00 0.00 -4.31 0.00 0.00 34.13 26.88 2kcq s GLU 22 CO 0.38 0.34 0.00 0.41 0.01 0.00 0.00 175.26 176.41 2kcq n GLY 23 N 0.75 1.66 4.81 -1.39 0.00 -1.26 -4.85 105.19 104.91 2kcq n GLY 23 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.00 2kcq n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcq n GLY 25 N -0.87 0.40 3.66 0.00 0.00 -1.21 -3.20 105.19 103.98 2kcq n GLY 25 Ca 0.00 -1.70 -0.25 0.00 0.00 0.00 0.00 46.02 44.07 2kcq n GLY 25 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kcq s PHE 26 N -2.51 2.80 -0.21 1.61 0.40 -1.09 -2.19 117.98 116.80 2kcq s PHE 26 Ca 0.00 -0.17 -0.10 0.00 -0.60 0.00 0.00 56.93 56.05 2kcq s PHE 26 Cb 0.00 -1.31 -0.05 0.00 0.51 0.00 0.00 43.02 42.18 2kcq s PHE 26 CO 0.00 0.56 0.15 -0.51 0.70 0.00 0.00 175.22 176.12 2kcq s LEU 27 N -3.29 4.19 -0.11 -0.37 1.43 0.27 -2.12 118.68 118.68 2kcq s LEU 27 Ca 0.29 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.58 2kcq s LEU 27 Cb -0.08 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2kcq s LEU 27 CO 0.19 0.15 0.05 -0.76 0.23 0.00 0.00 176.35 176.21 2kcq s LEU 28 N 0.54 3.85 0.00 1.79 1.43 -0.05 -2.31 118.68 123.93 2kcq s LEU 28 Ca 0.09 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2kcq s LEU 28 Cb -0.12 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.19 2kcq s LEU 28 CO -0.00 0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.55 2kcq n GLY 29 N 2.31 1.12 2.98 -3.19 0.00 0.28 -0.48 105.19 108.22 2kcq n GLY 29 Ca -0.19 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 2kcq n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kcq s THR 30 N -0.98 0.32 -0.20 2.61 -4.23 -0.71 0.36 115.64 112.81 2kcq s THR 30 Ca 0.00 -0.60 -0.19 0.00 -1.18 0.00 0.00 61.69 59.71 2kcq s THR 30 Cb 0.00 -0.36 -0.03 0.00 1.34 0.00 0.00 72.50 73.45 2kcq s THR 30 CO 0.00 -0.19 0.56 -0.69 -0.54 0.00 0.00 174.62 173.75 2kcq s VAL 31 N -0.78 5.08 1.04 2.29 1.01 -1.26 -2.00 120.40 125.77 2kcq s VAL 31 Ca -0.06 1.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.80 2kcq s VAL 31 Cb -0.06 -3.88 0.21 0.00 0.00 0.00 0.00 36.38 32.65 2kcq s VAL 31 CO -0.00 0.16 1.15 0.42 0.00 0.00 0.00 175.10 176.82 2kcq s THR 32 N 1.71 1.86 -1.40 3.92 -4.23 0.00 -4.94 115.64 112.57 2kcq s THR 32 Ca 0.26 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 61.05 2kcq s THR 32 Cb -0.16 -2.64 0.32 0.00 1.34 0.00 0.00 72.50 71.36 2kcq s THR 32 CO 0.10 0.00 1.78 0.47 -0.54 0.00 0.00 174.62 176.43 2kcq n ASP 33 N -4.20 0.40 -0.09 3.99 9.92 -1.26 -3.53 116.55 121.78 2kcq n ASP 33 Ca 0.10 -0.31 -0.09 0.00 -0.53 0.00 0.00 54.79 53.96 2kcq n ASP 33 Cb 0.59 -0.09 -0.16 0.00 -0.64 0.00 0.00 41.12 40.82 2kcq n ASP 33 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2kcq n ASP 34 N -1.15 0.15 0.00 -2.24 2.03 -1.26 -5.00 116.55 109.07 2kcq n ASP 34 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2kcq n ASP 34 Cb 0.30 1.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.74 2kcq n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcq n GLY 35 N 1.76 -0.08 3.83 0.27 0.00 -1.23 -5.13 105.19 104.60 2kcq n GLY 35 Ca -0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 2kcq n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kcq s ASP 36 N -0.15 6.38 -0.17 1.61 1.01 -1.26 -4.87 116.67 119.22 2kcq s ASP 36 Ca 0.00 1.64 -0.01 0.00 0.71 0.00 0.00 52.55 54.89 2kcq s ASP 36 Cb 0.00 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.41 2kcq s ASP 36 CO 0.00 -0.76 -0.13 0.20 0.21 0.00 0.00 175.17 174.69 2kcq s ASN 37 N -3.00 3.79 -0.04 0.27 0.01 -1.26 -0.82 114.94 113.89 2kcq s ASN 37 Ca 0.60 -0.46 0.05 0.00 -0.71 0.00 0.00 52.86 52.34 2kcq s ASN 37 Cb -0.12 -1.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.92 2kcq s ASN 37 CO 0.33 0.05 -0.17 0.00 -1.51 0.00 0.00 177.10 175.80 2kcq s ARG 38 N 1.00 2.43 -0.23 -0.60 1.70 -0.85 -1.46 118.95 120.95 2kcq s ARG 38 Ca -0.01 -0.76 -0.07 0.00 -0.47 0.00 0.00 55.73 54.41 2kcq s ARG 38 Cb -0.15 -2.29 -0.03 0.00 -0.57 0.00 0.00 34.95 31.91 2kcq s ARG 38 CO -0.02 0.59 0.06 0.08 -1.08 0.00 0.00 175.30 174.93 2kcq s VAL 39 N -0.66 4.41 -0.02 4.99 1.01 -0.13 -1.74 120.40 128.27 2kcq s VAL 39 Ca 0.10 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.97 2kcq s VAL 39 Cb -0.11 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 2kcq s VAL 39 CO 0.00 0.38 0.05 0.00 0.00 0.00 0.00 175.10 175.53 2kcq n ALA 40 N 4.49 2.03 -2.42 5.51 0.00 0.18 -4.61 120.51 125.69 2kcq n ALA 40 Ca -0.16 -0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.01 2kcq n ALA 40 Cb 0.52 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 2kcq n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kcq s ALA 41 N -2.19 0.29 0.14 0.00 0.00 0.37 -4.99 121.76 115.39 2kcq s ALA 41 Ca -0.02 -1.06 0.09 0.00 0.00 0.00 0.00 51.96 50.98 2kcq s ALA 41 Cb 0.02 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 2kcq s ALA 41 CO 0.16 -0.53 -0.22 -0.51 0.00 0.00 0.00 175.76 174.66 2kcq s LEU 42 N -2.96 2.37 -0.07 0.00 1.43 -1.26 -0.87 118.68 117.31 2kcq s LEU 42 Ca 0.15 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 2kcq s LEU 42 Cb 0.06 -0.99 0.03 0.00 0.03 0.00 0.00 46.19 45.31 2kcq s LEU 42 CO -0.03 0.07 -0.02 -2.28 0.23 0.00 0.00 176.35 174.32 2kcq s HIS 43 N -1.47 0.78 -0.14 0.29 2.46 -0.90 -4.88 115.29 111.42 2kcq s HIS 43 Ca 0.13 -0.24 -0.03 0.00 0.47 0.00 0.00 55.06 55.39 2kcq s HIS 43 Cb -0.08 -0.82 -0.03 0.00 -0.13 0.00 0.00 32.58 31.51 2kcq s HIS 43 CO 0.06 -0.32 -0.04 1.03 -2.47 0.00 0.00 174.74 173.00 2kcq s ARG 44 N 1.73 3.50 -0.44 2.88 0.52 -1.26 -2.66 118.95 123.22 2kcq s ARG 44 Ca 0.02 -0.51 -0.27 0.00 -0.52 0.00 0.00 55.73 54.44 2kcq s ARG 44 Cb -0.13 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 2kcq s ARG 44 CO -0.05 0.34 2.13 0.00 0.02 0.00 0.00 175.30 177.74 2kcq s ALA 45 N 0.10 2.20 -0.07 2.13 0.00 -1.19 -4.94 121.76 119.98 2kcq s ALA 45 Ca -0.01 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.03 2kcq s ALA 45 Cb -0.14 -4.22 0.01 0.00 0.00 0.00 0.00 23.12 18.77 2kcq s ALA 45 CO 0.03 -3.68 -0.15 0.99 0.00 0.00 0.00 175.76 172.96 2kcq s THR 46 N 9.74 1.32 -0.06 0.00 2.01 -1.26 -4.82 115.64 122.58 2kcq s THR 46 Ca 0.88 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 62.00 2kcq s THR 46 Cb -0.20 -1.19 0.09 0.00 0.01 0.00 0.00 72.50 71.22 2kcq s THR 46 CO 0.28 0.40 0.81 0.54 -0.69 0.00 0.00 174.62 175.95 2kcq s ASN 47 N 0.62 -0.51 -0.41 3.53 2.20 -1.26 -5.09 114.94 114.02 2kcq s ASN 47 Ca -0.15 0.42 0.06 0.00 -0.94 0.00 0.00 52.86 52.25 2kcq s ASN 47 Cb -0.16 0.44 0.20 0.00 -2.00 0.00 0.00 41.25 39.74 2kcq s ASN 47 CO 0.05 -0.56 0.42 0.54 -2.94 0.00 0.00 177.10 174.60 2kcq n ARG 48 N 0.53 0.45 -2.27 3.55 1.74 -1.26 -4.87 116.66 114.52 2kcq n ARG 48 Ca -0.14 -3.22 -0.20 0.00 -0.77 0.00 0.00 57.85 53.51 2kcq n ARG 48 Cb 0.59 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.52 2kcq n ARG 48 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2kcq n ARG 49 N 2.20 -1.69 -2.09 5.56 0.63 -1.26 -4.86 116.66 115.16 2kcq n ARG 49 Ca 0.26 1.01 -0.42 0.00 -0.92 0.00 0.00 57.85 57.78 2kcq n ARG 49 Cb 0.50 -5.63 -0.03 0.00 0.45 0.00 0.00 32.46 27.75 2kcq n ARG 49 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2kcq s SER 50 N -2.16 6.74 0.33 6.15 0.01 -1.26 -4.76 113.70 118.76 2kcq s SER 50 Ca 0.00 2.42 0.00 0.00 1.31 0.00 0.00 55.95 59.68 2kcq s SER 50 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2kcq s SER 50 CO 0.00 -0.72 0.00 1.21 0.41 0.00 0.00 173.24 174.14 2kcq n GLU 51 N 4.09 -1.85 -3.44 12.44 4.07 -1.26 -4.81 120.64 129.88 2kcq n GLU 51 Ca 0.12 1.51 -0.43 0.00 -0.06 0.00 0.00 57.16 58.29 2kcq n GLU 51 Cb 0.41 -2.10 -0.08 0.00 -0.06 0.00 0.00 31.44 29.61 2kcq n GLU 51 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 2kcq s GLN 52 N -3.85 2.87 -1.35 5.31 -1.52 -1.26 -4.99 119.66 114.88 2kcq s GLN 52 Ca 0.00 -1.44 -0.17 0.00 -1.95 0.00 0.00 55.36 51.80 2kcq s GLN 52 Cb 0.00 -4.06 0.06 0.00 -0.22 0.00 0.00 33.01 28.79 2kcq s GLN 52 CO 0.00 -1.06 1.89 -2.13 -0.25 0.00 0.00 175.29 173.74 2kcq n ARG 53 N 5.13 3.07 -1.12 2.91 0.00 -1.26 -4.76 116.66 120.63 2kcq n ARG 53 Ca -0.12 -3.06 -0.22 0.00 -0.00 0.00 0.00 57.85 54.45 2kcq n ARG 53 Cb 0.43 -3.44 0.02 0.00 0.00 0.00 0.00 32.46 29.47 2kcq n ARG 53 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2kcq n THR 54 N 6.01 3.04 -2.57 5.15 -1.04 -1.26 -4.70 114.28 118.92 2kcq n THR 54 Ca 0.50 -2.21 -0.19 0.00 -2.04 0.00 0.00 64.05 60.10 2kcq n THR 54 Cb 0.44 -1.38 0.01 0.00 -1.82 0.00 0.00 70.33 67.58 2kcq n THR 54 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2kcq n ARG 55 N 0.31 -2.55 -3.83 -2.82 0.00 -1.26 -5.01 116.66 101.50 2kcq n ARG 55 Ca 0.39 0.89 -0.21 0.00 -0.00 0.00 0.00 57.85 58.93 2kcq n ARG 55 Cb 0.57 -5.49 -0.03 0.00 0.00 0.00 0.00 32.46 27.51 2kcq n ARG 55 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2kcq s ARG 56 N -5.17 3.01 0.33 -0.14 0.52 -1.26 -5.04 118.95 111.20 2kcq s ARG 56 Ca 0.10 -1.06 0.00 0.00 -0.52 0.00 0.00 55.73 54.24 2kcq s ARG 56 Cb -0.04 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.76 2kcq s ARG 56 CO 0.12 0.23 0.00 2.48 0.02 0.00 0.00 175.30 178.15 2kcq n TYR 57 N -1.40 -2.28 0.19 -0.53 0.18 -1.26 -4.82 117.16 107.25 2kcq n TYR 57 Ca -0.04 1.22 0.02 0.00 1.88 0.00 0.00 57.90 60.98 2kcq n TYR 57 Cb 0.58 -2.08 0.01 0.00 -0.38 0.00 0.00 39.34 37.48 2kcq n TYR 57 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2kcq n GLU 58 N -3.55 0.80 -2.52 -3.48 4.71 -1.26 -4.90 120.64 110.44 2kcq n GLU 58 Ca -0.04 -0.63 -0.41 0.00 -0.01 0.00 0.00 57.16 56.08 2kcq n GLU 58 Cb 0.54 -1.01 -0.02 0.00 -1.01 0.00 0.00 31.44 29.93 2kcq n GLU 58 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2kcq s LEU 59 N -0.74 3.59 0.00 -4.62 0.20 -1.26 -4.72 118.68 111.14 2kcq s LEU 59 Ca 0.05 -1.79 0.00 0.00 0.69 0.00 0.00 54.13 53.08 2kcq s LEU 59 Cb 0.04 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 43.22 2kcq s LEU 59 CO 0.08 -1.50 0.00 0.35 -0.29 0.00 0.00 176.35 174.99 2kcq n THR 60 N 6.79 0.00 -0.81 3.68 -2.24 -1.26 -5.13 114.28 115.31 2kcq n THR 60 Ca 0.40 0.14 0.09 0.00 -2.27 0.00 0.00 64.05 62.40 2kcq n THR 60 Cb 0.49 -1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 67.53 2kcq n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kcq n ALA 61 N -1.77 -2.08 -0.46 6.98 0.00 -1.26 -4.96 120.51 116.96 2kcq n ALA 61 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2kcq n ALA 61 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2kcq n ALA 61 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kcq n ASP 62 N -3.24 0.00 0.00 0.00 5.68 -1.26 -5.01 116.55 112.72 2kcq n ASP 62 Ca -0.05 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 2kcq n ASP 62 Cb 0.38 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 2kcq n ASP 62 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2kcq n ASP 63 N -1.85 0.00 0.03 -1.12 2.03 -1.26 -4.94 116.55 109.44 2kcq n ASP 63 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 2kcq n ASP 63 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2kcq n ASP 63 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2kcq h TYR 64 N 0.00 -0.30 -0.64 -0.67 3.20 -1.98 0.13 116.97 116.71 2kcq h TYR 64 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2kcq h TYR 64 Cb 0.00 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 2kcq h TYR 64 CO 0.00 -0.18 0.35 0.00 -1.64 0.00 0.00 178.16 176.69 2kcq h ARG 65 N -0.18 0.88 -0.26 1.82 3.08 -1.96 0.67 114.38 118.44 2kcq h ARG 65 Ca 0.06 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 2kcq h ARG 65 Cb 0.26 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2kcq h ARG 65 CO -0.16 0.65 -0.17 0.00 -1.07 0.00 0.00 179.97 179.22 2kcq h ALA 66 N 1.49 0.37 -0.69 0.04 0.00 -1.77 0.31 119.26 119.02 2kcq h ALA 66 Ca 0.23 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2kcq h ALA 66 Cb 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2kcq h ALA 66 CO -0.04 0.28 0.16 0.00 0.00 0.00 0.00 179.25 179.66 2kcq h ALA 67 N 0.72 0.99 -0.37 0.00 0.00 -0.20 -1.25 119.26 119.14 2kcq h ALA 67 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2kcq h ALA 67 Cb 0.70 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2kcq h ALA 67 CO 0.05 0.66 0.20 0.22 0.00 0.00 0.00 179.25 180.37 2kcq h ASP 68 N 1.04 0.47 0.31 0.00 1.82 0.50 0.28 116.42 120.84 2kcq h ASP 68 Ca 0.22 -0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.75 2kcq h ASP 68 Cb 0.37 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.26 2kcq h ASP 68 CO 0.00 0.43 -0.15 0.00 -1.61 0.00 0.00 179.24 177.91 2kcq h ALA 69 N 1.06 -0.42 -0.23 -0.78 0.00 -0.75 -0.37 119.26 117.78 2kcq h ALA 69 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2kcq h ALA 69 Cb 0.07 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kcq h ALA 69 CO -0.02 -0.69 0.10 0.00 0.00 0.00 0.00 179.25 178.64 2kcq h ALA 70 N 0.17 1.76 0.13 0.00 0.00 -1.13 0.36 119.26 120.55 2kcq h ALA 70 Ca -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2kcq h ALA 70 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kcq h ALA 70 CO 0.07 0.20 -0.06 0.00 0.00 0.00 0.00 179.25 179.46 2kcq h ALA 71 N 1.80 -0.18 -0.65 0.00 0.00 -0.13 -1.63 119.26 118.47 2kcq h ALA 71 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kcq h ALA 71 Cb 0.05 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2kcq h ALA 71 CO -0.01 -0.50 0.41 1.96 0.00 0.00 0.00 179.25 181.11 2kcq h GLN 72 N -0.39 0.87 -0.94 0.00 7.50 -0.37 0.68 115.11 122.45 2kcq h GLN 72 Ca -0.02 -0.06 0.01 0.00 0.50 0.00 0.00 58.65 59.08 2kcq h GLN 72 Cb 0.32 -0.19 -0.05 0.00 0.05 0.00 0.00 27.48 27.61 2kcq h GLN 72 CO 0.03 0.60 0.62 0.93 -1.50 0.00 0.00 178.83 179.51 2kcq h GLU 73 N 0.89 1.22 -0.01 1.46 5.08 -0.80 -2.40 114.58 120.02 2kcq h GLU 73 Ca 0.24 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2kcq h GLU 73 Cb -0.06 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.91 2kcq h GLU 73 CO -0.05 0.81 -0.24 1.04 -1.00 0.00 0.00 179.01 179.57 2kcq n GLN 74 N -4.40 1.19 -1.27 2.33 6.02 -0.42 -4.94 117.38 115.90 2kcq n GLN 74 Ca 0.11 -0.81 0.00 0.00 -0.01 0.00 0.00 57.00 56.29 2kcq n GLN 74 Cb 0.03 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.81 2kcq n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kcq n GLY 75 N 1.33 0.40 3.80 1.08 0.00 0.90 -5.05 105.19 107.65 2kcq n GLY 75 Ca 0.13 -1.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 2kcq n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kcq s LEU 76 N 0.00 2.73 0.00 0.99 1.43 0.20 -4.96 118.68 119.07 2kcq s LEU 76 Ca 0.00 -1.30 0.04 0.00 -1.03 0.00 0.00 54.13 51.83 2kcq s LEU 76 Cb 0.00 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 2kcq s LEU 76 CO 0.00 -0.83 0.13 -0.90 0.23 0.00 0.00 176.35 174.98 2kcq n ASP 77 N -1.43 -0.03 -4.45 2.29 5.75 0.16 -3.33 116.55 115.51 2kcq n ASP 77 Ca -0.06 -2.15 -0.44 0.00 -0.01 0.00 0.00 54.79 52.14 2kcq n ASP 77 Cb 0.65 0.80 -0.08 0.00 -1.03 0.00 0.00 41.12 41.46 2kcq n ASP 77 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2kcq s VAL 78 N -2.62 5.14 -0.71 2.12 1.01 -1.26 -0.56 120.40 123.51 2kcq s VAL 78 Ca 0.19 -0.64 0.23 0.00 0.00 0.00 0.00 61.98 61.75 2kcq s VAL 78 Cb 0.01 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 2kcq s VAL 78 CO 0.13 -0.50 1.11 1.33 0.00 0.00 0.00 175.10 177.17 2kcq n VAL 79 N 5.33 0.14 -3.98 2.92 0.24 -0.98 -4.96 118.33 117.05 2kcq n VAL 79 Ca -0.09 -0.18 0.02 0.00 -2.04 0.00 0.00 64.34 62.04 2kcq n VAL 79 Cb 0.46 0.25 0.01 0.00 -1.47 0.00 0.00 33.84 33.09 2kcq n VAL 79 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kcq n GLY 80 N 1.40 0.32 3.10 7.63 0.00 -1.23 -2.38 105.19 114.02 2kcq n GLY 80 Ca 0.03 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 2kcq n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kcq s VAL 81 N -2.03 0.52 -0.03 1.61 1.01 -0.43 -0.56 120.40 120.47 2kcq s VAL 81 Ca 0.15 -1.46 0.04 0.00 0.00 0.00 0.00 61.98 60.71 2kcq s VAL 81 Cb -0.00 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 2kcq s VAL 81 CO -0.01 -0.64 -0.16 -0.72 0.00 0.00 0.00 175.10 173.57 2kcq s TYR 82 N -2.49 1.54 -0.01 5.22 1.13 -0.93 -0.96 117.35 120.85 2kcq s TYR 82 Ca -0.01 -0.41 0.03 0.00 -1.41 0.00 0.00 57.07 55.28 2kcq s TYR 82 Cb -0.02 -1.04 -0.03 0.00 -1.10 0.00 0.00 41.96 39.77 2kcq s TYR 82 CO -0.03 -0.13 -0.07 -1.01 -2.51 0.00 0.00 175.55 171.81 2kcq s HIS 83 N -0.02 2.89 -0.20 -3.49 3.76 0.14 -3.31 115.29 115.07 2kcq s HIS 83 Ca -0.02 -0.03 -0.07 0.00 -0.15 0.00 0.00 55.06 54.80 2kcq s HIS 83 Cb -0.10 -1.62 -0.03 0.00 1.11 0.00 0.00 32.58 31.93 2kcq s HIS 83 CO 0.01 0.36 0.04 -1.12 -0.85 0.00 0.00 174.74 173.19 2kcq s SER 84 N -1.32 5.27 0.19 1.40 0.01 -1.26 -2.00 113.70 115.99 2kcq s SER 84 Ca 0.16 -0.06 0.10 0.00 1.31 0.00 0.00 55.95 57.46 2kcq s SER 84 Cb -0.11 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 2kcq s SER 84 CO 0.07 0.10 -0.18 -1.00 0.41 0.00 0.00 173.24 172.64 2kcq s HIS 85 N 0.79 2.44 0.00 2.43 3.76 0.31 -4.97 115.29 120.05 2kcq s HIS 85 Ca 0.02 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 2kcq s HIS 85 Cb -0.14 -1.20 0.00 0.00 1.11 0.00 0.00 32.58 32.35 2kcq s HIS 85 CO 0.02 0.50 0.00 -2.30 -0.85 0.00 0.00 174.74 172.11 2kcq n PRO 86 N 0.19 0.73 -0.30 8.40 -0.02 -1.26 0.23 135.00 142.97 2kcq n PRO 86 Ca -0.12 0.00 0.28 0.00 -2.02 0.00 0.00 63.50 61.64 2kcq n PRO 86 Cb 0.56 0.00 0.63 0.00 -0.02 0.00 0.00 33.50 34.67 2kcq n PRO 86 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2kcq h ASP 87 N -0.09 0.22 -3.42 2.55 3.58 -1.91 -3.31 116.42 114.02 2kcq h ASP 87 Ca 0.00 0.04 -0.57 0.00 0.42 0.00 0.00 57.03 56.92 2kcq h ASP 87 Cb 0.00 0.00 0.17 0.00 1.72 0.00 0.00 39.33 41.23 2kcq h ASP 87 CO 0.00 0.04 -0.09 1.41 -2.88 0.00 0.00 179.24 177.72 2kcq n HIS 88 N -4.41 0.14 -1.15 0.28 8.25 -1.26 -4.84 115.22 112.24 2kcq n HIS 88 Ca 0.24 0.41 -0.38 0.00 -0.26 0.00 0.00 57.72 57.73 2kcq n HIS 88 Cb 1.01 -2.04 -0.01 0.00 1.12 0.00 0.00 29.99 30.07 2kcq n HIS 88 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2kcq n PRO 89 N -0.95 0.00 -0.10 -0.41 -0.02 -1.26 -4.80 135.00 127.47 2kcq n PRO 89 Ca 0.13 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.68 2kcq n PRO 89 Cb 0.48 -0.87 0.27 0.00 -0.02 0.00 0.00 33.50 33.37 2kcq n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kcq n ALA 90 N -0.70 2.50 -2.63 3.55 0.00 -1.26 -4.81 120.51 117.17 2kcq n ALA 90 Ca 0.11 -0.44 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 2kcq n ALA 90 Cb 0.32 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 2kcq n ALA 90 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kcq s ARG 91 N -1.75 3.67 0.06 0.00 1.04 -1.26 -4.62 118.95 116.09 2kcq s ARG 91 Ca 0.25 0.02 -0.32 0.00 -1.04 0.00 0.00 55.73 54.64 2kcq s ARG 91 Cb 0.13 -2.90 -0.11 0.00 -2.04 0.00 0.00 34.95 30.04 2kcq s ARG 91 CO 0.19 0.50 1.87 -0.35 -0.04 0.00 0.00 175.30 177.47 2kcq n PRO 92 N 0.40 2.64 -1.41 3.89 -0.04 -1.26 -5.00 135.00 134.22 2kcq n PRO 92 Ca -0.05 0.96 -0.13 0.00 -0.04 0.00 0.00 63.50 64.25 2kcq n PRO 92 Cb 0.52 -2.86 0.07 0.00 -0.04 0.00 0.00 33.50 31.19 2kcq n PRO 92 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kcq n SER 93 N 6.25 0.49 -0.05 3.54 2.88 -1.26 -4.77 113.62 120.70 2kcq n SER 93 Ca 0.20 -1.48 -0.09 0.00 -1.33 0.00 0.00 58.87 56.17 2kcq n SER 93 Cb 0.36 -0.38 -0.02 0.00 -0.75 0.00 0.00 64.21 63.42 2kcq n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kcq h ALA 94 N -0.94 0.23 -0.02 -1.46 0.00 -1.99 0.76 119.26 115.84 2kcq h ALA 94 Ca -0.18 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 2kcq h ALA 94 Cb 0.61 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2kcq h ALA 94 CO 0.17 -0.37 -0.82 1.15 0.00 0.00 0.00 179.25 179.38 2kcq h THR 95 N 0.15 1.44 -0.79 0.00 2.02 -1.99 -1.59 112.91 112.15 2kcq h THR 95 Ca 0.10 -2.41 -0.04 0.00 0.77 0.00 0.00 66.41 64.83 2kcq h THR 95 Cb 0.09 2.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.79 2kcq h THR 95 CO -0.12 0.71 0.34 -0.78 0.37 0.00 0.00 175.52 176.04 2kcq h ASP 96 N 0.17 1.07 -0.21 4.18 1.82 -1.82 -2.05 116.42 119.59 2kcq h ASP 96 Ca -0.04 -0.16 -0.14 0.00 -0.39 0.00 0.00 57.03 56.30 2kcq h ASP 96 Cb 1.42 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 41.15 2kcq h ASP 96 CO 0.13 0.94 -0.36 0.25 -1.61 0.00 0.00 179.24 178.59 2kcq h LEU 97 N 1.14 0.77 -1.68 2.28 6.46 -0.75 -3.12 115.31 120.41 2kcq h LEU 97 Ca 0.27 -0.33 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 2kcq h LEU 97 Cb 0.18 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 2kcq h LEU 97 CO -0.03 1.05 0.14 -0.33 -0.62 0.00 0.00 178.44 178.66 2kcq h GLU 98 N 0.61 0.35 -0.00 1.25 5.08 -0.59 -1.14 114.58 120.13 2kcq h GLU 98 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2kcq h GLU 98 Cb 0.90 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2kcq h GLU 98 CO 0.08 0.26 -0.26 0.39 -1.00 0.00 0.00 179.01 178.49 2kcq n GLU 99 N -4.46 0.49 -2.49 2.33 1.02 -0.95 -4.45 120.64 112.13 2kcq n GLU 99 Ca 0.01 -0.24 -0.43 0.00 -0.02 0.00 0.00 57.16 56.48 2kcq n GLU 99 Cb 0.10 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2kcq n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kcq n ALA 100 N -1.04 4.27 0.66 0.62 0.00 -0.43 -4.62 120.51 119.96 2kcq n ALA 100 Ca 0.11 -4.03 0.11 0.00 0.00 0.00 0.00 53.44 49.62 2kcq n ALA 100 Cb 0.32 -3.36 -0.09 0.00 0.00 0.00 0.00 19.45 16.32 2kcq n ALA 100 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kcq n THR 101 N 5.23 0.03 -3.83 0.00 5.66 -1.26 -4.73 114.28 115.38 2kcq n THR 101 Ca 0.45 -0.17 -0.32 0.00 -3.05 0.00 0.00 64.05 60.95 2kcq n THR 101 Cb 0.42 0.57 -0.11 0.00 -1.55 0.00 0.00 70.33 69.67 2kcq n THR 101 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2kcq s PHE 102 N -3.17 3.43 1.18 1.09 -0.71 -1.26 -5.10 117.98 113.44 2kcq s PHE 102 Ca 0.03 -3.06 -0.16 0.00 -1.04 0.00 0.00 56.93 52.70 2kcq s PHE 102 Cb 0.15 -2.97 0.28 0.00 -1.21 0.00 0.00 43.02 39.27 2kcq s PHE 102 CO 0.86 -0.72 1.04 -2.14 -1.34 0.00 0.00 175.22 172.92 2kcq s PRO 103 N -0.65 -1.02 0.00 1.99 0.02 -1.26 -3.99 135.00 130.09 2kcq s PRO 103 Ca 0.20 0.43 0.00 0.00 0.02 0.00 0.00 61.00 61.66 2kcq s PRO 103 Cb -0.17 -1.58 0.00 0.00 0.02 0.00 0.00 34.50 32.78 2kcq s PRO 103 CO -0.06 -3.69 0.00 0.41 -0.33 0.00 0.00 177.00 173.33 2kcq n GLY 104 N 0.05 2.77 3.80 0.52 0.00 -1.26 -5.02 105.19 106.04 2kcq n GLY 104 Ca 0.07 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2kcq n GLY 104 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kcq s PHE 105 N -1.54 3.08 -0.21 1.61 0.40 -1.26 -4.98 117.98 115.08 2kcq s PHE 105 Ca 0.00 1.59 -0.18 0.00 -0.60 0.00 0.00 56.93 57.74 2kcq s PHE 105 Cb 0.00 -3.05 -0.03 0.00 0.51 0.00 0.00 43.02 40.44 2kcq s PHE 105 CO 0.00 -0.71 0.51 0.99 0.70 0.00 0.00 175.22 176.71 2kcq s THR 106 N -1.94 5.10 -0.34 0.64 2.01 -1.00 -4.52 115.64 115.59 2kcq s THR 106 Ca 0.65 0.92 -0.12 0.00 0.31 0.00 0.00 61.69 63.44 2kcq s THR 106 Cb -0.17 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.50 2kcq s THR 106 CO 0.21 0.16 0.23 -0.31 -0.69 0.00 0.00 174.62 174.22 2kcq s TYR 107 N 1.76 3.22 -0.21 4.92 2.02 -0.60 -1.32 117.35 127.15 2kcq s TYR 107 Ca 0.23 -0.25 -0.07 0.00 -0.37 0.00 0.00 57.07 56.60 2kcq s TYR 107 Cb -0.15 -2.46 -0.04 0.00 -0.40 0.00 0.00 41.96 38.91 2kcq s TYR 107 CO 0.09 -0.37 0.07 0.08 -1.57 0.00 0.00 175.55 173.85 2kcq s VAL 108 N 1.71 4.62 -0.08 0.71 1.01 -0.13 0.44 120.40 128.67 2kcq s VAL 108 Ca 0.06 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2kcq s VAL 108 Cb -0.17 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2kcq s VAL 108 CO 0.10 0.41 -0.21 -0.63 0.00 0.00 0.00 175.10 174.78 2kcq s ILE 109 N 0.83 1.76 -0.08 2.22 1.01 0.99 0.27 121.20 128.20 2kcq s ILE 109 Ca 0.04 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.84 2kcq s ILE 109 Cb -0.14 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.81 2kcq s ILE 109 CO 0.02 0.50 -0.14 0.54 0.00 0.00 0.00 174.94 175.86 2kcq s VAL 110 N 0.31 1.30 -0.41 2.92 0.11 -0.85 -0.61 120.40 123.16 2kcq s VAL 110 Ca -0.14 -0.56 -0.23 0.00 -2.93 0.00 0.00 61.98 58.12 2kcq s VAL 110 Cb -0.16 -1.19 0.02 0.00 -1.53 0.00 0.00 36.38 33.52 2kcq s VAL 110 CO 0.06 0.40 0.79 -0.44 -3.33 0.00 0.00 175.10 172.58 2kcq s SER 111 N 0.78 6.47 -0.29 3.54 0.01 0.64 -0.53 113.70 124.32 2kcq s SER 111 Ca -0.12 0.09 -0.07 0.00 1.31 0.00 0.00 55.95 57.16 2kcq s SER 111 Cb -0.16 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2kcq s SER 111 CO 0.02 -0.84 0.09 -0.69 0.41 0.00 0.00 173.24 172.23 2kcq s VAL 112 N 3.23 4.13 -0.83 3.43 1.01 0.14 -0.74 120.40 130.77 2kcq s VAL 112 Ca 0.31 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 2kcq s VAL 112 Cb -0.12 -3.10 0.15 0.00 0.00 0.00 0.00 36.38 33.31 2kcq s VAL 112 CO 0.20 0.11 0.92 -0.60 0.00 0.00 0.00 175.10 175.74 2kcq s ARG 113 N 1.54 3.49 -1.32 2.72 3.52 0.15 -3.91 118.95 125.13 2kcq s ARG 113 Ca 0.04 -1.90 -0.01 0.00 -0.13 0.00 0.00 55.73 53.72 2kcq s ARG 113 Cb -0.17 -4.62 0.01 0.00 -1.56 0.00 0.00 34.95 28.61 2kcq s ARG 113 CO 0.03 -1.57 0.74 -3.47 -0.81 0.00 0.00 175.30 170.22 2kcq n ASP 114 N 5.66 -1.55 0.00 -2.12 2.03 -1.26 -1.42 116.55 117.88 2kcq n ASP 114 Ca 0.14 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.64 2kcq n ASP 114 Cb 0.47 -4.09 0.00 0.00 -0.72 0.00 0.00 41.12 36.78 2kcq n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcq n GLY 115 N -1.58 0.71 3.06 0.27 0.00 -1.26 -5.02 105.19 101.37 2kcq n GLY 115 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 2kcq n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcq s ALA 116 N -2.76 3.02 -0.16 4.61 0.00 -0.51 -4.70 121.76 121.27 2kcq s ALA 116 Ca 0.00 -2.58 -0.29 0.00 0.00 0.00 0.00 51.96 49.09 2kcq s ALA 116 Cb 0.00 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 2kcq s ALA 116 CO 0.00 -1.75 1.59 -2.14 0.00 0.00 0.00 175.76 173.46 2kcq s PRO 117 N 0.94 3.96 -0.00 0.00 0.02 -1.26 0.33 135.00 138.98 2kcq s PRO 117 Ca 0.10 1.82 -0.00 0.00 0.02 0.00 0.00 61.00 62.94 2kcq s PRO 117 Cb -0.21 -3.99 -0.00 0.00 0.02 0.00 0.00 34.50 30.32 2kcq s PRO 117 CO -0.06 -1.09 -0.00 -1.91 -0.33 0.00 0.00 177.00 173.60 2kcq n GLU 118 N 7.38 0.00 -3.70 5.54 2.13 0.08 -4.95 120.64 127.13 2kcq n GLU 118 Ca 0.18 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.63 2kcq n GLU 118 Cb 0.44 -0.49 -0.11 0.00 0.27 0.00 0.00 31.44 31.56 2kcq n GLU 118 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kcq s ALA 119 N -2.97 3.42 -0.17 4.31 0.00 -1.23 -4.97 121.76 120.15 2kcq s ALA 119 Ca -0.00 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.94 2kcq s ALA 119 Cb 0.00 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 20.86 2kcq s ALA 119 CO 0.00 -0.39 -0.20 -1.17 0.00 0.00 0.00 175.76 174.00 2kcq s LEU 120 N 1.45 2.08 0.07 0.00 0.20 -1.26 -0.26 118.68 120.96 2kcq s LEU 120 Ca 0.06 -0.62 0.01 0.00 0.69 0.00 0.00 54.13 54.28 2kcq s LEU 120 Cb -0.15 -1.44 -0.04 0.00 -0.43 0.00 0.00 46.19 44.13 2kcq s LEU 120 CO 0.07 0.02 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.19 2kcq s THR 121 N 1.18 0.56 -0.02 3.68 2.01 0.22 -5.00 115.64 118.26 2kcq s THR 121 Ca 0.02 -1.66 0.07 0.00 0.31 0.00 0.00 61.69 60.43 2kcq s THR 121 Cb -0.14 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 2kcq s THR 121 CO -0.10 -0.75 -0.23 0.00 -0.69 0.00 0.00 174.62 172.85 2kcq s ALA 122 N -3.01 1.91 0.03 7.40 0.00 -1.26 -0.01 121.76 126.83 2kcq s ALA 122 Ca 0.04 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.07 2kcq s ALA 122 Cb 0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 2kcq s ALA 122 CO -0.04 0.45 -0.12 -1.58 0.00 0.00 0.00 175.76 174.47 2kcq s TRP 123 N -0.44 1.01 -0.14 0.00 0.52 0.17 -1.83 118.94 118.23 2kcq s TRP 123 Ca 0.06 -0.33 -0.03 0.00 0.02 0.00 0.00 56.10 55.82 2kcq s TRP 123 Cb -0.10 -0.61 -0.03 0.00 -1.15 0.00 0.00 33.47 31.59 2kcq s TRP 123 CO -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 176.95 176.94 2kcq s ALA 124 N -0.79 3.05 -0.08 0.98 0.00 -0.04 -1.55 121.76 123.33 2kcq s ALA 124 Ca -0.00 -0.82 -0.22 0.00 0.00 0.00 0.00 51.96 50.92 2kcq s ALA 124 Cb -0.07 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 2kcq s ALA 124 CO 0.01 0.30 0.63 -1.17 0.00 0.00 0.00 175.76 175.53 2kcq s LEU 125 N 0.07 4.31 0.50 0.00 2.96 -1.26 -0.78 118.68 124.48 2kcq s LEU 125 Ca 0.00 1.08 -0.23 0.00 -0.22 0.00 0.00 54.13 54.76 2kcq s LEU 125 Cb -0.13 -2.96 -0.06 0.00 0.50 0.00 0.00 46.19 43.53 2kcq s LEU 125 CO 0.03 -0.07 1.38 0.00 -1.32 0.00 0.00 176.35 176.37 2kcq s ALA 126 N 0.69 3.01 0.52 5.97 0.00 -0.72 -4.48 121.76 126.74 2kcq s ALA 126 Ca 0.34 1.38 0.21 0.00 0.00 0.00 0.00 51.96 53.89 2kcq s ALA 126 Cb -0.17 -3.57 1.34 0.00 0.00 0.00 0.00 23.12 20.72 2kcq s ALA 126 CO 0.16 -1.27 2.06 -1.00 0.00 0.00 0.00 175.76 175.71 2kcq h PRO 127 N 1.86 0.01 -0.03 0.00 0.13 -1.96 0.30 132.00 132.30 2kcq h PRO 127 Ca -0.51 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2kcq h PRO 127 Cb 1.28 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kcq h PRO 127 CO 0.59 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.11 2kcq n ASP 128 N -4.45 1.30 -2.41 1.44 8.00 -1.26 -4.90 116.55 114.27 2kcq n ASP 128 Ca 0.04 -1.46 -0.18 0.00 0.71 0.00 0.00 54.79 53.90 2kcq n ASP 128 Cb 0.39 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.47 2kcq n ASP 128 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2kcq n ARG 129 N 0.02 -1.87 -0.07 -1.24 0.63 0.11 -4.88 116.66 109.36 2kcq n ARG 129 Ca 0.19 0.88 -0.12 0.00 -0.92 0.00 0.00 57.85 57.87 2kcq n ARG 129 Cb 0.31 -5.52 -0.06 0.00 0.45 0.00 0.00 32.46 27.65 2kcq n ARG 129 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2kcq h SER 130 N 0.00 0.40 -2.24 6.15 0.87 -1.91 -3.48 113.55 113.33 2kcq h SER 130 Ca -0.43 -0.40 0.07 0.00 -1.23 0.00 0.00 61.79 59.79 2kcq h SER 130 Cb 1.32 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2kcq h SER 130 CO 0.51 0.71 0.36 -1.84 -0.53 0.00 0.00 176.83 176.04 2kcq n GLU 131 N -4.59 0.64 -4.18 2.24 0.28 -1.26 -5.06 120.64 108.71 2kcq n GLU 131 Ca -0.05 -1.35 -0.32 0.00 -0.16 0.00 0.00 57.16 55.28 2kcq n GLU 131 Cb 0.31 1.76 -0.08 0.00 1.43 0.00 0.00 31.44 34.86 2kcq n GLU 131 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2kcq s PHE 132 N -3.33 3.14 -0.04 -1.84 0.40 -1.26 -1.76 117.98 113.29 2kcq s PHE 132 Ca 0.15 0.10 0.05 0.00 -0.60 0.00 0.00 56.93 56.64 2kcq s PHE 132 Cb -0.03 -1.67 -0.01 0.00 0.51 0.00 0.00 43.02 41.83 2kcq s PHE 132 CO 0.06 0.50 -0.20 -3.38 0.70 0.00 0.00 175.22 172.90 2kcq s HIS 133 N -1.19 1.91 0.33 0.36 -3.43 0.04 -4.96 115.29 108.36 2kcq s HIS 133 Ca 0.23 -0.50 -0.29 0.00 -0.80 0.00 0.00 55.06 53.70 2kcq s HIS 133 Cb -0.12 -1.26 -0.12 0.00 -1.43 0.00 0.00 32.58 29.65 2kcq s HIS 133 CO 0.14 -0.14 1.41 -2.13 -2.00 0.00 0.00 174.74 172.02 2kcq n ARG 134 N 2.93 2.36 -4.29 -0.38 3.00 -1.26 -0.86 116.66 118.15 2kcq n ARG 134 Ca -0.17 0.83 -0.22 0.00 -0.00 0.00 0.00 57.85 58.29 2kcq n ARG 134 Cb 0.53 -2.50 -0.13 0.00 0.00 0.00 0.00 32.46 30.37 2kcq n ARG 134 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2kcq s GLU 135 N -1.58 1.03 0.05 -0.14 2.12 -0.76 -4.79 118.70 114.64 2kcq s GLU 135 Ca 0.57 -1.02 -0.06 0.00 0.36 0.00 0.00 54.97 54.82 2kcq s GLU 135 Cb -0.54 -1.17 -0.05 0.00 0.26 0.00 0.00 34.13 32.63 2kcq s GLU 135 CO 0.59 0.27 0.31 -0.51 -0.54 0.00 0.00 175.26 175.39 2kcq s ASP 136 N -1.68 6.51 -0.35 -1.70 1.01 -1.26 -4.30 116.67 114.89 2kcq s ASP 136 Ca 0.03 0.59 -0.25 0.00 0.71 0.00 0.00 52.55 53.63 2kcq s ASP 136 Cb -0.10 -2.10 0.01 0.00 1.01 0.00 0.00 42.92 41.75 2kcq s ASP 136 CO 0.03 0.19 0.87 -0.63 0.21 0.00 0.00 175.17 175.83 2kcq s ILE 137 N -1.41 4.66 0.11 0.77 1.09 -1.26 -2.05 121.20 123.11 2kcq s ILE 137 Ca 0.32 1.12 0.06 0.00 -1.10 0.00 0.00 60.65 61.05 2kcq s ILE 137 Cb -0.13 -4.27 -0.04 0.00 -1.06 0.00 0.00 42.46 36.96 2kcq s ILE 137 CO 0.19 -0.45 -0.05 0.68 -0.10 0.00 0.00 174.94 175.21 2kcq s VAL 138 N 3.28 3.69 0.39 2.92 -7.23 -0.29 -4.94 120.40 118.22 2kcq s VAL 138 Ca 0.35 -1.17 -0.14 0.00 -1.81 0.00 0.00 61.98 59.21 2kcq s VAL 138 Cb -0.13 -2.76 -0.08 0.00 0.56 0.00 0.00 36.38 33.98 2kcq s VAL 138 CO 0.17 0.09 0.81 -0.13 -0.31 0.00 0.00 175.10 175.73 2kcq s ARG 139 N -2.34 3.94 -0.51 4.82 0.52 -1.25 -1.01 118.95 123.11 2kcq s ARG 139 Ca 0.24 0.69 -0.28 0.00 -0.52 0.00 0.00 55.73 55.86 2kcq s ARG 139 Cb -0.11 -2.34 -0.10 0.00 0.52 0.00 0.00 34.95 32.92 2kcq s ARG 139 CO 0.16 -0.00 2.41 -2.30 0.02 0.00 0.00 175.30 175.59 2kcq n PRO 140 N -0.92 1.01 -3.69 3.54 -0.02 -1.25 -4.77 135.00 128.90 2kcq n PRO 140 Ca 0.04 0.11 -0.36 0.00 -2.02 0.00 0.00 63.50 61.27 2kcq n PRO 140 Cb 0.54 -2.97 -0.09 0.00 -0.02 0.00 0.00 33.50 30.96 2kcq n PRO 140 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kcq s ASP 141 N 10.51 5.44 -0.11 2.55 1.01 -1.26 -4.94 116.67 129.87 2kcq s ASP 141 Ca 1.06 -3.11 0.04 0.00 0.71 0.00 0.00 52.55 51.25 2kcq s ASP 141 Cb -0.46 -1.87 0.29 0.00 1.01 0.00 0.00 42.92 41.88 2kcq s ASP 141 CO 0.34 -0.32 1.08 -0.81 0.21 0.00 0.00 175.17 175.67 2kcq n PRO 142 N 3.15 2.17 0.00 8.23 -0.04 -1.26 -3.23 135.00 144.01 2kcq n PRO 142 Ca 0.12 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 2kcq n PRO 142 Cb 0.38 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 2kcq n PRO 142 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kcq n GLU 143 N 0.13 -0.11 -2.85 0.54 1.02 -1.26 -5.07 120.64 113.04 2kcq n GLU 143 Ca 0.14 -0.27 -0.36 0.00 -0.02 0.00 0.00 57.16 56.66 2kcq n GLU 143 Cb 0.70 -0.66 -0.07 0.00 -0.02 0.00 0.00 31.44 31.40 2kcq n GLU 143 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kcq s ALA 144 N -0.05 3.20 0.45 0.62 0.00 -1.20 -5.03 121.76 119.75 2kcq s ALA 144 Ca 0.00 0.42 -0.24 0.00 0.00 0.00 0.00 51.96 52.13 2kcq s ALA 144 Cb 0.00 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 2kcq s ALA 144 CO 0.00 0.19 1.28 -1.25 0.00 0.00 0.00 175.76 175.98 2kcq s PRO 145 N -2.39 3.74 0.30 0.00 0.04 -1.26 -5.02 135.00 130.41 2kcq s PRO 145 Ca 0.53 2.08 -0.11 0.00 0.04 0.00 0.00 61.00 63.54 2kcq s PRO 145 Cb -0.15 -2.56 -0.07 0.00 0.04 0.00 0.00 34.50 31.75 2kcq s PRO 145 CO 0.20 -0.66 0.65 -0.48 0.04 0.00 0.00 177.00 176.75 2kcq s LEU 146 N -2.82 4.05 -0.01 -3.56 2.34 -1.26 -5.06 118.68 112.36 2kcq s LEU 146 Ca 0.62 1.04 -0.23 0.00 0.06 0.00 0.00 54.13 55.62 2kcq s LEU 146 Cb -0.36 -3.85 -0.05 0.00 -0.56 0.00 0.00 46.19 41.37 2kcq s LEU 146 CO 0.45 -0.20 0.68 -0.70 -1.06 0.00 0.00 176.35 175.52 2kcq s GLU 147 N -3.19 4.41 -0.03 1.48 -6.30 -1.26 -4.94 118.70 108.86 2kcq s GLU 147 Ca 0.50 0.87 0.04 0.00 -2.50 0.00 0.00 54.97 53.88 2kcq s GLU 147 Cb -0.11 -3.39 0.07 0.00 0.00 0.00 0.00 34.13 30.70 2kcq s GLU 147 CO 0.24 0.24 0.90 1.58 0.02 0.00 0.00 175.26 178.23 2kcq n HIS 148 N 3.13 0.00 -2.94 5.30 -0.00 -1.26 -5.05 115.22 114.40 2kcq n HIS 148 Ca -0.04 -0.34 -0.40 0.00 -0.00 0.00 0.00 57.72 56.95 2kcq n HIS 148 Cb 0.51 -0.06 -0.06 0.00 -0.00 0.00 0.00 29.99 30.38 2kcq n HIS 148 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kcq s HIS 149 N -0.88 3.91 -0.01 1.57 3.76 -1.26 -5.06 115.29 117.33 2kcq s HIS 149 Ca 0.07 1.68 0.00 0.00 -0.15 0.00 0.00 55.06 56.66 2kcq s HIS 149 Cb 0.06 -2.81 0.01 0.00 1.11 0.00 0.00 32.58 30.95 2kcq s HIS 149 CO 0.01 0.49 -0.00 -3.38 -0.85 0.00 0.00 174.74 171.01 2kcq s HIS 150 N -1.09 0.10 -0.74 1.40 -3.43 -1.26 -5.10 115.29 105.17 2kcq s HIS 150 Ca 0.37 0.01 -0.22 0.00 -0.80 0.00 0.00 55.06 54.42 2kcq s HIS 150 Cb -0.23 -0.13 0.08 0.00 -1.43 0.00 0.00 32.58 30.86 2kcq s HIS 150 CO 0.27 -0.03 1.06 -3.38 -2.00 0.00 0.00 174.74 170.66 2kcq s HIS 151 N 0.30 2.70 -0.18 0.38 -3.43 -1.26 -4.97 115.29 108.83 2kcq s HIS 151 Ca -0.03 -0.67 0.01 0.00 -0.80 0.00 0.00 55.06 53.58 2kcq s HIS 151 Cb -0.04 -4.36 0.03 0.00 -1.43 0.00 0.00 32.58 26.78 2kcq s HIS 151 CO -0.01 -1.69 -0.15 -1.58 -2.00 0.00 0.00 174.74 169.31 2kcq s HIS 152 N 4.06 2.60 0.00 0.38 5.04 -1.26 -5.36 115.29 120.74 2kcq s HIS 152 Ca 0.27 -1.60 0.00 0.00 -1.54 0.00 0.00 55.06 52.19 2kcq s HIS 152 Cb -0.13 -1.78 0.00 0.00 0.04 0.00 0.00 32.58 30.72 2kcq s HIS 152 CO 0.06 -0.77 0.50 1.58 -2.34 0.00 0.00 174.74 173.77