#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 3.07 0.20 2.12 3.01 0.05 -2.86 119.74 125.34 2kcq s LYS 2 Ca 0.00 -0.58 -0.20 0.00 -1.01 0.00 0.00 55.97 54.19 2kcq s LYS 2 Cb 0.00 -2.66 0.04 0.00 -1.01 0.00 0.00 37.83 34.20 2kcq s LYS 2 CO 0.00 0.48 0.58 -0.08 0.51 0.00 0.00 175.35 176.84 2kcq s THR 3 N -0.31 0.01 0.12 2.17 -1.32 -0.86 -1.79 115.64 113.67 2kcq s THR 3 Ca 0.04 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 2kcq s THR 3 Cb -0.13 -1.49 -0.04 0.00 -1.51 0.00 0.00 72.50 69.33 2kcq s THR 3 CO 0.02 -0.06 0.28 0.42 -2.21 0.00 0.00 174.62 173.07 2kcq s THR 4 N -3.85 5.32 0.43 5.08 -4.23 -1.26 -4.20 115.64 112.93 2kcq s THR 4 Ca 0.07 -0.45 0.13 0.00 -1.18 0.00 0.00 61.69 60.26 2kcq s THR 4 Cb -0.02 -3.68 0.31 0.00 1.34 0.00 0.00 72.50 70.45 2kcq s THR 4 CO -0.04 0.00 2.00 1.55 -0.54 0.00 0.00 174.62 177.59 2kcq h PRO 5 N 2.56 0.41 -0.21 3.99 0.13 -1.99 -1.13 132.00 135.75 2kcq h PRO 5 Ca -0.47 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 2kcq h PRO 5 Cb 1.18 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2kcq h PRO 5 CO 0.72 0.27 -0.16 0.38 -0.23 0.00 0.00 178.00 178.98 2kcq h ASP 6 N 0.42 0.34 -0.16 1.44 2.03 -1.99 -0.46 116.42 118.04 2kcq h ASP 6 Ca 0.24 -0.08 -0.07 0.00 -0.73 0.00 0.00 57.03 56.39 2kcq h ASP 6 Cb 0.42 -0.09 -0.00 0.00 -0.83 0.00 0.00 39.33 38.82 2kcq h ASP 6 CO -0.06 0.52 -0.18 0.40 -1.03 0.00 0.00 179.24 178.89 2kcq h ILE 7 N 0.33 1.35 -0.89 4.15 1.08 -1.62 -1.59 117.51 120.31 2kcq h ILE 7 Ca 0.06 -1.37 0.03 0.00 -0.39 0.00 0.00 64.86 63.20 2kcq h ILE 7 Cb 0.47 1.87 -0.05 0.00 -3.07 0.00 0.00 36.82 36.05 2kcq h ILE 7 CO 0.03 0.41 0.58 -0.07 -0.69 0.00 0.00 178.15 178.41 2kcq h LEU 8 N 0.04 0.97 -0.26 1.44 3.38 -1.13 0.18 115.31 119.93 2kcq h LEU 8 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kcq h LEU 8 Cb 0.73 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2kcq h LEU 8 CO 0.04 0.67 0.15 -0.78 0.09 0.00 0.00 178.44 178.62 2kcq h ASP 9 N 1.13 0.32 0.02 -0.43 3.58 -1.06 -2.25 116.42 117.74 2kcq h ASP 9 Ca 0.35 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 2kcq h ASP 9 Cb -0.01 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 40.95 2kcq h ASP 9 CO -0.11 0.30 -0.05 1.56 -2.88 0.00 0.00 179.24 178.06 2kcq h GLN 10 N 0.32 0.08 -0.01 0.28 4.20 -0.33 -1.76 115.11 117.90 2kcq h GLN 10 Ca 0.09 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2kcq h GLN 10 Cb 0.04 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 2kcq h GLN 10 CO -0.02 0.14 0.00 0.82 -0.67 0.00 0.00 178.83 179.10 2kcq h ILE 11 N 0.08 1.22 -0.59 2.54 2.04 -0.11 0.29 117.51 122.97 2kcq h ILE 11 Ca 0.02 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 2kcq h ILE 11 Cb 0.14 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 2kcq h ILE 11 CO 0.01 0.17 0.09 0.08 0.00 0.00 0.00 178.15 178.49 2kcq h ARG 12 N -0.26 0.96 -0.43 2.37 0.11 -1.17 -1.78 114.38 114.18 2kcq h ARG 12 Ca 0.00 -0.24 -0.07 0.00 0.10 0.00 0.00 59.98 59.77 2kcq h ARG 12 Cb 0.27 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 31.22 2kcq h ARG 12 CO 0.00 0.89 0.00 0.28 0.10 0.00 0.00 179.97 181.24 2kcq h VAL 13 N 0.90 1.26 -0.67 0.08 2.07 -1.27 -2.76 116.25 115.86 2kcq h VAL 13 Ca 0.18 -1.03 0.10 0.00 0.82 0.00 0.00 66.70 66.78 2kcq h VAL 13 Cb 0.40 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 2kcq h VAL 13 CO 0.01 0.35 0.45 -0.74 0.02 0.00 0.00 177.57 177.66 2kcq h HIS 14 N 0.61 0.54 0.01 1.57 -0.00 0.02 0.20 115.15 118.09 2kcq h HIS 14 Ca 0.12 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 2kcq h HIS 14 Cb 0.49 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 2kcq h HIS 14 CO 0.04 0.25 -0.00 0.78 -0.00 0.00 0.00 177.93 179.00 2kcq h GLY 15 N 0.51 -0.01 1.52 5.26 0.00 -1.04 -1.97 103.07 107.34 2kcq h GLY 15 Ca 0.31 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.44 2kcq h GLY 15 CO -0.10 -0.00 -0.83 0.00 0.00 0.00 0.00 176.54 175.61 2kcq h ALA 16 N 0.73 0.46 -0.23 3.60 0.00 -1.34 -3.16 119.26 119.31 2kcq h ALA 16 Ca -0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 54.91 54.13 2kcq h ALA 16 Cb 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2kcq h ALA 16 CO 0.00 0.78 -0.37 0.22 0.00 0.00 0.00 179.25 179.88 2kcq h ASP 17 N 0.28 0.54 0.82 0.00 3.58 -0.65 -3.00 116.42 118.00 2kcq h ASP 17 Ca -0.06 -0.23 -0.14 0.00 0.42 0.00 0.00 57.03 57.03 2kcq h ASP 17 Cb 1.44 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.32 2kcq h ASP 17 CO 0.15 0.86 -0.68 0.00 -2.88 0.00 0.00 179.24 176.69 2kcq h ALA 18 N 1.17 0.79 -2.37 -0.78 0.00 -1.41 -3.46 119.26 113.20 2kcq h ALA 18 Ca 0.04 -0.61 -0.52 0.00 0.00 0.00 0.00 54.91 53.82 2kcq h ALA 18 Cb 0.84 -0.11 0.15 0.00 0.00 0.00 0.00 17.79 18.67 2kcq h ALA 18 CO 0.07 0.84 0.31 0.71 0.00 0.00 0.00 179.25 181.19 2kcq s TYR 19 N -3.32 2.27 -1.65 0.00 1.51 -1.13 -2.12 117.35 112.90 2kcq s TYR 19 Ca -0.00 1.62 0.20 0.00 -1.01 0.00 0.00 57.07 57.88 2kcq s TYR 19 Cb 0.11 -3.20 1.07 0.00 -0.11 0.00 0.00 41.96 39.84 2kcq s TYR 19 CO 0.76 -2.14 1.60 -2.30 -1.11 0.00 0.00 175.55 172.36 2kcq n PRO 20 N -3.43 0.42 -1.55 -1.71 -0.02 -1.26 -5.02 135.00 122.42 2kcq n PRO 20 Ca 0.11 0.06 -0.29 0.00 -2.02 0.00 0.00 63.50 61.36 2kcq n PRO 20 Cb 0.52 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.64 2kcq n PRO 20 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2kcq s GLU 21 N -2.35 1.19 -0.13 -0.52 2.02 -0.90 -5.02 118.70 112.99 2kcq s GLU 21 Ca 0.23 0.29 -0.19 0.00 0.02 0.00 0.00 54.97 55.32 2kcq s GLU 21 Cb 0.13 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.48 2kcq s GLU 21 CO 0.27 -2.16 0.52 -2.00 0.02 0.00 0.00 175.26 171.90 2kcq s GLU 22 N -5.29 4.32 -0.45 1.61 2.12 -1.26 -4.84 118.70 114.91 2kcq s GLU 22 Ca 0.64 0.50 0.08 0.00 0.36 0.00 0.00 54.97 56.55 2kcq s GLU 22 Cb -0.15 -3.47 0.40 0.00 0.26 0.00 0.00 34.13 31.17 2kcq s GLU 22 CO 0.53 0.07 0.99 0.41 -0.54 0.00 0.00 175.26 176.72 2kcq n GLY 23 N 3.38 4.77 3.22 -1.50 0.00 -1.26 -4.94 105.19 108.87 2kcq n GLY 23 Ca -0.06 -2.37 -0.23 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.97 -0.75 3.57 0.00 0.00 -1.01 0.17 105.19 105.19 2kcq n GLY 25 Ca 0.14 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.00 2.49 -0.13 1.61 0.40 -1.26 -1.33 117.98 116.76 2kcq s PHE 26 Ca 0.00 -0.32 -0.12 0.00 -0.60 0.00 0.00 56.93 55.89 2kcq s PHE 26 Cb 0.00 -1.18 -0.05 0.00 0.51 0.00 0.00 43.02 42.30 2kcq s PHE 26 CO 0.00 0.63 0.25 -0.51 0.70 0.00 0.00 175.22 176.29 2kcq s LEU 27 N -3.61 4.30 -0.09 -0.37 1.43 0.11 -3.87 118.68 116.58 2kcq s LEU 27 Ca 0.32 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.94 2kcq s LEU 27 Cb -0.04 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 2kcq s LEU 27 CO 0.18 0.22 -0.10 -0.76 0.23 0.00 0.00 176.35 176.11 2kcq s LEU 28 N -0.12 2.92 0.00 1.79 1.43 -0.15 -2.16 118.68 122.39 2kcq s LEU 28 Ca 0.16 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2kcq s LEU 28 Cb -0.13 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.45 2kcq s LEU 28 CO 0.04 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.51 2kcq n GLY 29 N 2.76 1.25 3.15 -3.19 0.00 0.24 -0.71 105.19 108.68 2kcq n GLY 29 Ca -0.18 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.27 0.67 -0.13 2.61 -4.23 -0.53 0.31 115.64 113.06 2kcq s THR 30 Ca 0.00 -1.83 -0.15 0.00 -1.18 0.00 0.00 61.69 58.53 2kcq s THR 30 Cb 0.00 -1.55 -0.05 0.00 1.34 0.00 0.00 72.50 72.25 2kcq s THR 30 CO 0.00 -0.82 0.35 -0.69 -0.54 0.00 0.00 174.62 172.93 2kcq s VAL 31 N -3.35 5.25 0.58 2.29 1.01 -1.26 -0.26 120.40 124.66 2kcq s VAL 31 Ca 0.09 0.68 -0.06 0.00 0.00 0.00 0.00 61.98 62.69 2kcq s VAL 31 Cb 0.03 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2kcq s VAL 31 CO -0.04 0.40 0.89 0.42 0.00 0.00 0.00 175.10 176.76 2kcq s THR 32 N 0.33 3.84 -0.46 3.92 -4.23 0.13 -4.95 115.64 114.21 2kcq s THR 32 Ca 0.20 0.05 0.20 0.00 -1.18 0.00 0.00 61.69 60.96 2kcq s THR 32 Cb -0.14 -3.51 0.20 0.00 1.34 0.00 0.00 72.50 70.39 2kcq s THR 32 CO 0.07 -0.53 1.61 0.47 -0.54 0.00 0.00 174.62 175.69 2kcq n ASP 33 N -2.55 0.51 0.06 3.99 8.00 -1.26 -1.06 116.55 124.24 2kcq n ASP 33 Ca 0.04 0.68 0.13 0.00 0.71 0.00 0.00 54.79 56.34 2kcq n ASP 33 Cb 0.57 -0.77 0.49 0.00 -0.02 0.00 0.00 41.12 41.40 2kcq n ASP 33 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2kcq n ASP 34 N -2.12 0.40 0.00 -2.24 8.00 -1.26 -4.88 116.55 114.45 2kcq n ASP 34 Ca 0.01 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.05 2kcq n ASP 34 Cb 0.12 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 2kcq n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kcq n GLY 35 N 1.12 0.64 3.56 0.44 0.00 -0.22 -5.07 105.19 105.66 2kcq n GLY 35 Ca 0.06 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 2kcq n GLY 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kcq s ASP 36 N -2.49 3.99 0.04 1.61 2.15 -1.25 -4.93 116.67 115.79 2kcq s ASP 36 Ca 0.00 -0.92 0.02 0.00 0.43 0.00 0.00 52.55 52.08 2kcq s ASP 36 Cb 0.00 -0.51 -0.04 0.00 -0.30 0.00 0.00 42.92 42.07 2kcq s ASP 36 CO 0.00 -0.04 0.06 0.54 -0.17 0.00 0.00 175.17 175.57 2kcq s ASN 37 N -3.60 5.50 -0.29 -0.34 2.20 -1.26 0.20 114.94 117.35 2kcq s ASN 37 Ca 0.31 0.04 -0.00 0.00 -0.94 0.00 0.00 52.86 52.27 2kcq s ASN 37 Cb -0.04 -1.50 0.05 0.00 -2.00 0.00 0.00 41.25 37.76 2kcq s ASN 37 CO 0.17 0.22 -0.03 -0.60 -2.94 0.00 0.00 177.10 173.92 2kcq s ARG 38 N -2.04 2.38 -0.28 3.55 3.52 0.64 -0.77 118.95 125.97 2kcq s ARG 38 Ca 0.25 -1.28 -0.26 0.00 -0.13 0.00 0.00 55.73 54.31 2kcq s ARG 38 Cb -0.12 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 2kcq s ARG 38 CO 0.17 -0.60 0.89 0.08 -0.81 0.00 0.00 175.30 175.03 2kcq s VAL 39 N 1.21 4.74 0.00 7.11 1.01 -0.74 -1.45 120.40 132.28 2kcq s VAL 39 Ca -0.06 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.46 2kcq s VAL 39 Cb -0.20 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 31.97 2kcq s VAL 39 CO -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 175.10 174.86 2kcq n ALA 40 N 6.28 1.99 -2.88 5.51 0.00 -0.31 -4.62 120.51 126.48 2kcq n ALA 40 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 2kcq n ALA 40 Cb 0.47 0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.99 0.16 0.21 0.00 0.00 0.11 -5.01 121.76 115.23 2kcq s ALA 41 Ca 0.00 -0.27 0.10 0.00 0.00 0.00 0.00 51.96 51.79 2kcq s ALA 41 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2kcq s ALA 41 CO 0.00 -0.03 -0.14 -0.51 0.00 0.00 0.00 175.76 175.09 2kcq s LEU 42 N -0.56 2.81 0.10 0.00 1.43 -1.26 -0.98 118.68 120.22 2kcq s LEU 42 Ca -0.05 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 2kcq s LEU 42 Cb -0.04 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.73 2kcq s LEU 42 CO -0.00 0.09 0.26 -1.38 0.23 0.00 0.00 176.35 175.54 2kcq s HIS 43 N -1.87 0.04 0.06 0.29 -3.43 -1.25 -4.98 115.29 104.15 2kcq s HIS 43 Ca 0.25 -0.43 -0.21 0.00 -0.80 0.00 0.00 55.06 53.87 2kcq s HIS 43 Cb -0.08 0.04 -0.06 0.00 -1.43 0.00 0.00 32.58 31.05 2kcq s HIS 43 CO 0.14 -0.59 0.64 1.03 -2.00 0.00 0.00 174.74 173.96 2kcq s ARG 44 N -3.81 4.34 -0.30 -0.38 0.52 -1.26 -4.09 118.95 113.96 2kcq s ARG 44 Ca 0.04 0.85 -0.35 0.00 -0.52 0.00 0.00 55.73 55.75 2kcq s ARG 44 Cb 0.04 -3.29 -0.11 0.00 0.52 0.00 0.00 34.95 32.11 2kcq s ARG 44 CO -0.11 0.50 2.10 0.00 0.02 0.00 0.00 175.30 177.81 2kcq n ALA 45 N 2.12 0.96 -2.82 2.13 0.00 0.13 -4.91 120.51 118.11 2kcq n ALA 45 Ca -0.08 0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 2kcq n ALA 45 Cb 0.50 -2.53 -0.10 0.00 0.00 0.00 0.00 19.45 17.33 2kcq n ALA 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2kcq s THR 46 N 6.52 4.79 -0.14 0.00 2.01 -1.26 -4.82 115.64 122.73 2kcq s THR 46 Ca 1.05 -0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.97 2kcq s THR 46 Cb -0.82 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 68.54 2kcq s THR 46 CO 0.50 0.45 0.11 -3.20 -0.69 0.00 0.00 174.62 171.80 2kcq n ASN 47 N 3.60 -2.53 0.00 3.53 2.85 -1.26 -2.57 115.26 118.88 2kcq n ASN 47 Ca -0.16 0.87 0.00 0.00 -0.11 0.00 0.00 54.58 55.18 2kcq n ASN 47 Cb 0.52 -3.72 0.00 0.00 1.24 0.00 0.00 39.78 37.82 2kcq n ASN 47 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kcq n ARG 48 N 0.87 2.69 -3.70 1.20 1.74 -1.26 -4.19 116.66 114.01 2kcq n ARG 48 Ca -0.18 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.52 2kcq n ARG 48 Cb 0.28 -0.76 -0.11 0.00 -1.02 0.00 0.00 32.46 30.85 2kcq n ARG 48 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2kcq s ARG 49 N -1.15 2.42 -0.29 5.56 1.81 -1.26 -5.05 118.95 120.99 2kcq s ARG 49 Ca 0.00 -1.52 -0.29 0.00 -1.72 0.00 0.00 55.73 52.21 2kcq s ARG 49 Cb 0.00 -3.62 -0.02 0.00 -0.45 0.00 0.00 34.95 30.85 2kcq s ARG 49 CO 0.00 -0.92 1.75 -1.12 -0.68 0.00 0.00 175.30 174.33 2kcq s SER 50 N 1.88 6.05 -0.02 0.23 0.01 -1.26 -4.95 113.70 115.63 2kcq s SER 50 Ca 0.03 1.43 -0.30 0.00 1.31 0.00 0.00 55.95 58.42 2kcq s SER 50 Cb -0.22 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 2kcq s SER 50 CO -0.00 -1.56 1.15 -1.61 0.41 0.00 0.00 173.24 171.63 2kcq s GLU 51 N 5.34 4.41 -0.44 12.44 2.02 -1.26 -4.93 118.70 136.27 2kcq s GLU 51 Ca 0.78 1.64 -0.27 0.00 0.02 0.00 0.00 54.97 57.13 2kcq s GLU 51 Cb -0.24 -3.49 -0.03 0.00 0.10 0.00 0.00 34.13 30.47 2kcq s GLU 51 CO 0.33 -0.33 2.00 1.14 0.02 0.00 0.00 175.26 178.41 2kcq s GLN 52 N 1.74 2.81 0.61 1.61 0.00 -1.26 -4.48 119.66 120.70 2kcq s GLN 52 Ca 0.55 1.23 0.00 0.00 -0.00 0.00 0.00 55.36 57.14 2kcq s GLN 52 Cb -0.25 -4.36 0.00 0.00 0.00 0.00 0.00 33.01 28.40 2kcq s GLN 52 CO 0.24 -2.48 0.00 0.54 0.00 0.00 0.00 175.29 173.59 2kcq n ARG 53 N 8.84 0.00 -3.07 9.60 1.74 -1.26 -4.77 116.66 127.73 2kcq n ARG 53 Ca 0.26 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.19 2kcq n ARG 53 Cb 0.50 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.92 2kcq n ARG 53 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2kcq n THR 54 N 0.00 -0.30 -0.66 0.55 5.66 -1.26 0.97 114.28 119.23 2kcq n THR 54 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2kcq n THR 54 Cb 0.00 -0.74 0.00 0.00 -1.55 0.00 0.00 70.33 68.04 2kcq n THR 54 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2kcq n ARG 55 N -3.11 0.00 -0.06 1.09 0.63 -1.26 -4.80 116.66 109.15 2kcq n ARG 55 Ca -0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 2kcq n ARG 55 Cb 0.51 -3.13 -0.03 0.00 0.45 0.00 0.00 32.46 30.26 2kcq n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kcq h ARG 56 N 1.73 0.00 -3.76 -0.14 2.47 0.26 -3.48 114.38 111.46 2kcq h ARG 56 Ca 0.00 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.35 2kcq h ARG 56 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2kcq h ARG 56 CO 0.00 0.25 -0.50 0.98 0.56 0.00 0.00 179.97 181.26 2kcq n TYR 57 N -4.72 -1.40 -2.29 3.04 9.36 0.27 -4.87 117.16 116.56 2kcq n TYR 57 Ca -0.03 0.16 -0.34 0.00 3.32 0.00 0.00 57.90 61.00 2kcq n TYR 57 Cb 0.14 -3.69 -0.04 0.00 -0.63 0.00 0.00 39.34 35.12 2kcq n TYR 57 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 2kcq s GLU 58 N -5.27 3.10 0.21 2.98 -1.05 -1.26 -4.76 118.70 112.65 2kcq s GLU 58 Ca 0.10 -1.24 -0.08 0.00 -0.15 0.00 0.00 54.97 53.60 2kcq s GLU 58 Cb -0.05 -5.31 0.15 0.00 -0.44 0.00 0.00 34.13 28.47 2kcq s GLU 58 CO 0.13 -3.11 1.75 1.37 0.95 0.00 0.00 175.26 176.35 2kcq h LEU 59 N 15.53 1.10 -6.07 1.83 8.10 -1.93 -3.43 115.31 130.44 2kcq h LEU 59 Ca 0.26 -0.20 0.08 0.00 0.11 0.00 0.00 57.88 58.14 2kcq h LEU 59 Cb 0.94 -0.29 -0.21 0.00 -0.44 0.00 0.00 40.66 40.66 2kcq h LEU 59 CO 1.32 1.00 -0.27 0.42 -4.11 0.00 0.00 178.44 176.81 2kcq s THR 60 N -5.45 -0.99 -0.12 0.15 -4.23 -1.26 -5.06 115.64 98.68 2kcq s THR 60 Ca -0.12 -0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.25 2kcq s THR 60 Cb 0.15 -1.00 -0.05 0.00 1.34 0.00 0.00 72.50 72.95 2kcq s THR 60 CO 0.84 -0.00 -0.26 0.00 -0.54 0.00 0.00 174.62 174.66 2kcq n ALA 61 N 5.43 1.17 -0.98 3.99 0.00 -1.26 -5.13 120.51 123.73 2kcq n ALA 61 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2kcq n ALA 61 Cb 0.51 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2kcq n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kcq n ASP 62 N -4.14 -5.75 -0.30 0.00 9.92 -1.26 -4.41 116.55 110.61 2kcq n ASP 62 Ca -0.11 0.68 0.06 0.00 -0.53 0.00 0.00 54.79 54.90 2kcq n ASP 62 Cb 0.39 -2.15 0.27 0.00 -0.64 0.00 0.00 41.12 38.99 2kcq n ASP 62 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2kcq h ASP 63 N 1.59 0.85 -0.80 -2.24 3.58 -1.66 -2.42 116.42 115.33 2kcq h ASP 63 Ca 0.00 0.02 0.09 0.00 0.42 0.00 0.00 57.03 57.56 2kcq h ASP 63 Cb 0.00 -0.16 -0.07 0.00 1.72 0.00 0.00 39.33 40.82 2kcq h ASP 63 CO 0.00 0.51 0.45 0.22 -2.88 0.00 0.00 179.24 177.54 2kcq h TYR 64 N 0.94 0.82 -0.48 0.28 3.20 -1.87 0.35 116.97 120.20 2kcq h TYR 64 Ca 0.42 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.21 2kcq h TYR 64 Cb 0.36 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 2kcq h TYR 64 CO -0.00 0.34 -0.12 0.00 -1.64 0.00 0.00 178.16 176.74 2kcq h ARG 65 N 0.77 0.90 -0.33 1.82 3.08 -1.64 0.39 114.38 119.36 2kcq h ARG 65 Ca 0.38 -0.32 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 2kcq h ARG 65 Cb 0.33 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2kcq h ARG 65 CO -0.24 0.97 -0.30 0.00 -1.07 0.00 0.00 179.97 179.33 2kcq h ALA 66 N 1.05 0.49 -0.83 0.04 0.00 -1.27 -2.30 119.26 116.43 2kcq h ALA 66 Ca 0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2kcq h ALA 66 Cb 0.65 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2kcq h ALA 66 CO 0.05 0.52 0.38 0.00 0.00 0.00 0.00 179.25 180.20 2kcq h ALA 67 N 0.74 1.09 -0.56 0.00 0.00 -0.09 -1.05 119.26 119.39 2kcq h ALA 67 Ca 0.06 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2kcq h ALA 67 Cb 0.88 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2kcq h ALA 67 CO 0.08 0.67 0.33 0.22 0.00 0.00 0.00 179.25 180.54 2kcq h ASP 68 N 1.20 0.53 0.06 0.00 3.58 -0.09 0.34 116.42 122.03 2kcq h ASP 68 Ca 0.28 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.74 2kcq h ASP 68 Cb 0.15 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2kcq h ASP 68 CO -0.03 0.37 -0.03 0.00 -2.88 0.00 0.00 179.24 176.66 2kcq h ALA 69 N 1.25 -0.09 -0.43 -0.78 0.00 -1.13 -2.39 119.26 115.71 2kcq h ALA 69 Ca 0.23 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2kcq h ALA 69 Cb 0.05 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2kcq h ALA 69 CO -0.11 -0.37 0.07 0.00 0.00 0.00 0.00 179.25 178.84 2kcq h ALA 70 N 0.46 1.33 0.17 0.00 0.00 -1.01 -0.48 119.26 119.75 2kcq h ALA 70 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2kcq h ALA 70 Cb 0.38 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2kcq h ALA 70 CO 0.01 0.47 -0.08 0.00 0.00 0.00 0.00 179.25 179.65 2kcq h ALA 71 N 1.46 -0.23 -1.00 0.00 0.00 -0.32 -1.28 119.26 117.89 2kcq h ALA 71 Ca 0.14 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2kcq h ALA 71 Cb 0.28 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2kcq h ALA 71 CO 0.00 -0.56 0.65 1.96 0.00 0.00 0.00 179.25 181.31 2kcq h GLN 72 N -0.37 1.22 -0.75 0.00 7.50 -1.08 0.39 115.11 122.02 2kcq h GLN 72 Ca -0.02 -0.07 0.07 0.00 0.50 0.00 0.00 58.65 59.12 2kcq h GLN 72 Cb 0.29 -0.28 -0.06 0.00 0.05 0.00 0.00 27.48 27.48 2kcq h GLN 72 CO 0.04 0.81 0.43 0.93 -1.50 0.00 0.00 178.83 179.53 2kcq h GLU 73 N 1.26 0.75 -0.01 1.46 5.08 -0.89 -1.99 114.58 120.25 2kcq h GLU 73 Ca 0.40 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2kcq h GLU 73 Cb 0.01 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.09 2kcq h GLU 73 CO -0.13 0.50 -0.05 1.04 -1.00 0.00 0.00 179.01 179.37 2kcq n GLN 74 N -4.74 1.04 -1.64 2.33 6.02 -0.40 -4.89 117.38 115.10 2kcq n GLN 74 Ca 0.10 -0.36 -0.02 0.00 -0.01 0.00 0.00 57.00 56.71 2kcq n GLN 74 Cb 0.20 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 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 1.17 0.39 3.18 1.08 0.00 -0.38 -5.04 105.19 105.60 2kcq n GLY 75 Ca 0.19 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 2kcq n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kcq n LEU 76 N -0.32 0.00 -4.13 0.99 4.77 0.12 -4.95 117.00 113.49 2kcq n LEU 76 Ca -0.03 -2.86 -0.11 0.00 -0.03 0.00 0.00 56.01 52.98 2kcq n LEU 76 Cb 0.34 0.59 -0.08 0.00 -2.33 0.00 0.00 43.42 41.94 2kcq n LEU 76 CO 0.04 -0.42 -0.09 1.51 -1.33 0.00 0.00 177.39 177.10 2kcq s ASP 77 N -3.42 0.09 -0.46 -1.43 -4.77 0.15 -3.01 116.67 103.82 2kcq s ASP 77 Ca 0.08 -1.23 -0.29 0.00 -3.30 0.00 0.00 52.55 47.81 2kcq s ASP 77 Cb 0.00 0.46 0.03 0.00 -1.09 0.00 0.00 42.92 42.32 2kcq s ASP 77 CO 0.06 -0.95 1.12 -0.69 0.70 0.00 0.00 175.17 175.41 2kcq s VAL 78 N -4.09 4.24 -1.30 2.11 1.01 -1.26 -0.60 120.40 120.52 2kcq s VAL 78 Ca 0.33 1.24 0.15 0.00 0.00 0.00 0.00 61.98 63.71 2kcq s VAL 78 Cb 0.04 -4.58 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 2kcq s VAL 78 CO 0.11 -0.96 0.80 1.33 0.00 0.00 0.00 175.10 176.38 2kcq n VAL 79 N 6.74 0.00 -3.95 2.92 0.24 -0.92 -4.96 118.33 118.40 2kcq n VAL 79 Ca 0.12 -0.31 0.01 0.00 -2.04 0.00 0.00 64.34 62.12 2kcq n VAL 79 Cb 0.49 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 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 1.16 0.40 3.12 7.63 0.00 -1.22 -2.21 105.19 114.08 2kcq n GLY 80 Ca 0.06 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.06 0.48 -0.02 1.61 1.01 -0.03 0.05 120.40 121.44 2kcq s VAL 81 Ca 0.11 -1.77 -0.01 0.00 0.00 0.00 0.00 61.98 60.31 2kcq s VAL 81 Cb -0.00 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.93 2kcq s VAL 81 CO -0.01 -0.86 0.05 -0.72 0.00 0.00 0.00 175.10 173.57 2kcq s TYR 82 N -3.43 -0.04 0.02 5.22 1.13 -0.44 -0.61 117.35 119.20 2kcq s TYR 82 Ca 0.07 0.17 -0.12 0.00 -1.41 0.00 0.00 57.07 55.78 2kcq s TYR 82 Cb 0.04 -0.07 0.01 0.00 -1.10 0.00 0.00 41.96 40.85 2kcq s TYR 82 CO -0.06 -0.06 0.25 -3.38 -2.51 0.00 0.00 175.55 169.79 2kcq s HIS 83 N 0.47 -0.06 0.18 -3.49 -3.43 -0.93 -2.40 115.29 105.63 2kcq s HIS 83 Ca -0.04 -0.05 0.05 0.00 -0.80 0.00 0.00 55.06 54.23 2kcq s HIS 83 Cb -0.05 0.04 -0.04 0.00 -1.43 0.00 0.00 32.58 31.10 2kcq s HIS 83 CO -0.02 -0.42 0.20 -1.54 -2.00 0.00 0.00 174.74 170.96 2kcq s SER 84 N -1.80 5.77 -0.54 7.38 1.04 -1.26 -2.82 113.70 121.46 2kcq s SER 84 Ca -0.08 -0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.32 2kcq s SER 84 Cb -0.03 -1.57 0.14 0.00 0.10 0.00 0.00 66.02 64.65 2kcq s SER 84 CO -0.01 0.03 0.29 -1.00 0.98 0.00 0.00 173.24 173.54 2kcq s HIS 85 N -1.84 3.19 -1.32 5.02 3.76 -0.96 -4.89 115.29 118.25 2kcq s HIS 85 Ca 0.32 -3.17 0.25 0.00 -0.15 0.00 0.00 55.06 52.32 2kcq s HIS 85 Cb -0.10 -2.76 1.24 0.00 1.11 0.00 0.00 32.58 32.07 2kcq s HIS 85 CO 0.25 -0.71 1.85 -0.35 -0.85 0.00 0.00 174.74 174.93 2kcq n PRO 86 N 2.95 0.27 0.01 8.40 -0.04 -1.12 -3.57 135.00 141.90 2kcq n PRO 86 Ca 0.07 0.05 -0.19 0.00 -0.04 0.00 0.00 63.50 63.39 2kcq n PRO 86 Cb 0.33 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 2kcq n PRO 86 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2kcq h ASP 87 N 0.00 0.36 -4.18 3.54 2.03 -1.90 -3.43 116.42 112.84 2kcq h ASP 87 Ca 0.00 -0.80 -0.21 0.00 -0.73 0.00 0.00 57.03 55.29 2kcq h ASP 87 Cb 0.29 -0.12 -0.26 0.00 -0.83 0.00 0.00 39.33 38.41 2kcq h ASP 87 CO 0.00 1.71 -0.71 -1.00 -1.03 0.00 0.00 179.24 178.21 2kcq s HIS 88 N -2.57 0.11 -0.66 4.15 3.76 -1.23 -5.09 115.29 113.76 2kcq s HIS 88 Ca -0.19 -0.19 -0.26 0.00 -0.15 0.00 0.00 55.06 54.27 2kcq s HIS 88 Cb 0.07 -0.08 -0.04 0.00 1.11 0.00 0.00 32.58 33.64 2kcq s HIS 88 CO 0.79 -0.07 2.00 -2.14 -0.85 0.00 0.00 174.74 174.46 2kcq s PRO 89 N -0.53 2.47 0.90 8.40 0.02 -1.26 -4.61 135.00 140.40 2kcq s PRO 89 Ca -0.06 0.56 0.00 0.00 0.02 0.00 0.00 61.00 61.53 2kcq s PRO 89 Cb -0.04 -4.57 0.00 0.00 0.02 0.00 0.00 34.50 29.92 2kcq s PRO 89 CO -0.00 -3.03 0.00 0.00 -0.33 0.00 0.00 177.00 173.63 2kcq n ALA 90 N 13.81 -1.52 -1.37 -1.55 0.00 -1.26 -5.03 120.51 123.59 2kcq n ALA 90 Ca 0.28 0.18 0.07 0.00 0.00 0.00 0.00 53.44 53.98 2kcq n ALA 90 Cb 0.51 -0.52 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 2kcq n ALA 90 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2kcq n ARG 91 N -2.52 -2.98 -2.94 0.00 0.00 -1.26 -4.93 116.66 102.02 2kcq n ARG 91 Ca 0.00 2.38 -0.32 0.00 -0.00 0.00 0.00 57.85 59.91 2kcq n ARG 91 Cb 0.27 -3.28 -0.05 0.00 -0.00 0.00 0.00 32.46 29.40 2kcq n ARG 91 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2kcq s PRO 92 N -4.82 3.96 0.32 2.89 0.04 -1.26 -4.97 135.00 131.16 2kcq s PRO 92 Ca 0.00 0.69 0.04 0.00 0.04 0.00 0.00 61.00 61.77 2kcq s PRO 92 Cb 0.00 -2.36 0.04 0.00 0.04 0.00 0.00 34.50 32.22 2kcq s PRO 92 CO 0.00 0.03 0.36 0.43 0.04 0.00 0.00 177.00 177.86 2kcq n SER 93 N -0.80 1.51 -0.01 6.66 7.64 -1.26 -4.92 113.62 122.45 2kcq n SER 93 Ca 0.04 -1.95 -0.12 0.00 1.01 0.00 0.00 58.87 57.85 2kcq n SER 93 Cb 0.54 -0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 63.51 2kcq n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kcq h ALA 94 N 0.46 0.07 -0.03 -0.43 0.00 -1.99 -0.12 119.26 117.22 2kcq h ALA 94 Ca -0.17 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 2kcq h ALA 94 Cb 0.71 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2kcq h ALA 94 CO 0.25 -0.31 -0.72 1.15 0.00 0.00 0.00 179.25 179.62 2kcq h THR 95 N -0.12 1.45 -0.81 0.00 2.02 -1.98 -1.00 112.91 112.48 2kcq h THR 95 Ca 0.02 -2.30 0.01 0.00 0.77 0.00 0.00 66.41 64.91 2kcq h THR 95 Cb 0.23 2.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.83 2kcq h THR 95 CO -0.00 0.67 0.53 -0.78 0.37 0.00 0.00 175.52 176.31 2kcq h ASP 96 N 0.11 0.93 -0.35 4.18 3.58 -1.91 -1.07 116.42 121.89 2kcq h ASP 96 Ca -0.02 -0.03 -0.17 0.00 0.42 0.00 0.00 57.03 57.24 2kcq h ASP 96 Cb 1.27 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 2kcq h ASP 96 CO 0.11 0.68 -0.42 0.25 -2.88 0.00 0.00 179.24 176.97 2kcq h LEU 97 N 1.09 0.98 -1.05 2.28 6.46 -0.66 -3.18 115.31 121.23 2kcq h LEU 97 Ca 0.29 -0.47 -0.00 0.00 -0.12 0.00 0.00 57.88 57.58 2kcq h LEU 97 Cb -0.12 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 39.49 2kcq h LEU 97 CO -0.06 1.26 0.52 -0.33 -0.62 0.00 0.00 178.44 179.21 2kcq h GLU 98 N 0.74 1.17 0.00 1.25 5.08 -0.00 -1.21 114.58 121.60 2kcq h GLU 98 Ca 0.05 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2kcq h GLU 98 Cb 1.02 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2kcq h GLU 98 CO 0.10 0.82 -0.00 -0.85 -1.00 0.00 0.00 179.01 178.08 2kcq n GLU 99 N -4.37 0.08 -2.41 2.33 0.28 -0.55 -4.60 120.64 111.41 2kcq n GLU 99 Ca 0.09 0.07 -0.40 0.00 -0.16 0.00 0.00 57.16 56.76 2kcq n GLU 99 Cb 0.06 -1.60 -0.03 0.00 1.43 0.00 0.00 31.44 31.30 2kcq n GLU 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kcq s ALA 100 N -3.03 2.58 -0.09 -1.84 0.00 -0.46 -4.75 121.76 114.17 2kcq s ALA 100 Ca 0.13 -1.22 0.18 0.00 0.00 0.00 0.00 51.96 51.06 2kcq s ALA 100 Cb 0.17 -4.29 0.40 0.00 0.00 0.00 0.00 23.12 19.40 2kcq s ALA 100 CO 0.55 -3.49 1.18 2.41 0.00 0.00 0.00 175.76 176.42 2kcq n THR 101 N 6.64 0.97 -3.77 0.00 -1.04 -1.26 -4.95 114.28 110.87 2kcq n THR 101 Ca 0.09 -1.91 -0.34 0.00 -2.04 0.00 0.00 64.05 59.85 2kcq n THR 101 Cb 0.50 0.42 -0.10 0.00 -1.82 0.00 0.00 70.33 69.33 2kcq n THR 101 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2kcq s PHE 102 N -1.43 3.51 0.04 -1.42 0.08 -1.26 -5.07 117.98 112.42 2kcq s PHE 102 Ca 0.34 -2.98 -0.30 0.00 0.12 0.00 0.00 56.93 54.10 2kcq s PHE 102 Cb 0.36 -3.06 -0.07 0.00 -0.57 0.00 0.00 43.02 39.68 2kcq s PHE 102 CO -0.11 -0.75 1.52 -2.14 -0.10 0.00 0.00 175.22 173.64 2kcq s PRO 103 N -0.66 4.24 0.00 0.24 0.02 -1.26 -2.36 135.00 135.22 2kcq s PRO 103 Ca 0.21 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.37 2kcq s PRO 103 Cb -0.15 -3.57 0.00 0.00 0.02 0.00 0.00 34.50 30.80 2kcq s PRO 103 CO -0.07 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 2kcq n GLY 104 N 3.80 0.38 3.84 0.52 0.00 -1.26 -5.07 105.19 107.40 2kcq n GLY 104 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.01 3.64 -0.11 1.61 0.40 -1.00 -4.86 117.98 115.65 2kcq s PHE 105 Ca 0.00 0.75 -0.17 0.00 -0.60 0.00 0.00 56.93 56.90 2kcq s PHE 105 Cb 0.00 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 2kcq s PHE 105 CO 0.00 0.63 0.44 0.99 0.70 0.00 0.00 175.22 177.98 2kcq s THR 106 N -0.84 5.19 -0.36 0.64 2.01 -0.94 -4.38 115.64 116.97 2kcq s THR 106 Ca 0.19 0.88 -0.13 0.00 0.31 0.00 0.00 61.69 62.94 2kcq s THR 106 Cb -0.14 -3.78 -0.00 0.00 0.01 0.00 0.00 72.50 68.58 2kcq s THR 106 CO 0.08 0.36 0.25 -0.31 -0.69 0.00 0.00 174.62 174.31 2kcq s TYR 107 N 0.46 3.23 -0.27 4.92 2.02 -0.24 -0.85 117.35 126.62 2kcq s TYR 107 Ca 0.24 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.42 2kcq s TYR 107 Cb -0.15 -2.50 -0.03 0.00 -0.40 0.00 0.00 41.96 38.88 2kcq s TYR 107 CO 0.10 -0.44 0.39 0.08 -1.57 0.00 0.00 175.55 174.10 2kcq s VAL 108 N 1.70 5.16 -0.25 0.71 1.01 0.22 -0.49 120.40 128.46 2kcq s VAL 108 Ca 0.06 0.57 -0.05 0.00 0.00 0.00 0.00 61.98 62.56 2kcq s VAL 108 Cb -0.18 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 2kcq s VAL 108 CO 0.10 0.13 0.01 -0.63 0.00 0.00 0.00 175.10 174.70 2kcq s ILE 109 N 2.11 3.66 -0.19 2.22 1.01 0.14 -2.20 121.20 127.95 2kcq s ILE 109 Ca 0.16 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 2kcq s ILE 109 Cb -0.16 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 2kcq s ILE 109 CO 0.10 0.31 0.07 0.54 0.00 0.00 0.00 174.94 175.96 2kcq s VAL 110 N 1.50 4.79 -0.59 2.92 0.11 -1.13 -0.69 120.40 127.30 2kcq s VAL 110 Ca 0.05 -0.03 -0.27 0.00 -2.93 0.00 0.00 61.98 58.79 2kcq s VAL 110 Cb -0.15 -3.16 0.03 0.00 -1.53 0.00 0.00 36.38 31.57 2kcq s VAL 110 CO -0.01 0.45 1.14 -0.55 -3.33 0.00 0.00 175.10 172.81 2kcq s SER 111 N 0.45 6.39 -0.21 3.54 0.15 0.97 -2.26 113.70 122.72 2kcq s SER 111 Ca 0.03 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.62 2kcq s SER 111 Cb -0.13 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 61.70 2kcq s SER 111 CO 0.00 -1.47 -0.12 -0.69 1.20 0.00 0.00 173.24 172.17 2kcq s VAL 112 N 4.81 1.83 -1.18 4.45 1.01 -1.25 0.55 120.40 130.62 2kcq s VAL 112 Ca 0.39 -1.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 2kcq s VAL 112 Cb -0.09 -1.87 0.23 0.00 0.00 0.00 0.00 36.38 34.65 2kcq s VAL 112 CO 0.23 0.17 1.53 0.54 0.00 0.00 0.00 175.10 177.57 2kcq n ARG 113 N 4.61 3.83 -3.50 2.72 1.74 0.11 -2.79 116.66 123.38 2kcq n ARG 113 Ca -0.15 -4.08 -0.22 0.00 -0.77 0.00 0.00 57.85 52.63 2kcq n ARG 113 Cb 0.46 -2.75 0.04 0.00 -1.02 0.00 0.00 32.46 29.19 2kcq n ARG 113 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2kcq n ASP 114 N 3.20 -5.99 0.00 0.55 2.03 -1.26 -2.86 116.55 112.22 2kcq n ASP 114 Ca 0.32 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.84 2kcq n ASP 114 Cb 0.37 -3.91 0.00 0.00 -0.72 0.00 0.00 41.12 36.86 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 -1.60 2.53 3.50 0.27 0.00 -1.26 -5.04 105.19 103.59 2kcq n GLY 115 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.52 3.37 -0.38 4.61 0.00 -1.13 -4.52 121.76 121.19 2kcq s ALA 116 Ca 0.00 -1.33 -0.29 0.00 0.00 0.00 0.00 51.96 50.35 2kcq s ALA 116 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2kcq s ALA 116 CO 0.00 -1.73 1.42 -2.14 0.00 0.00 0.00 175.76 173.31 2kcq s PRO 117 N 2.58 3.64 0.00 0.00 0.02 -1.26 0.04 135.00 140.02 2kcq s PRO 117 Ca 0.19 1.06 0.00 0.00 0.02 0.00 0.00 61.00 62.27 2kcq s PRO 117 Cb -0.15 -4.00 0.00 0.00 0.02 0.00 0.00 34.50 30.36 2kcq s PRO 117 CO 0.17 -1.47 0.00 -1.91 -0.33 0.00 0.00 177.00 173.46 2kcq n GLU 118 N 7.91 0.00 -3.67 5.54 2.13 0.19 -5.00 120.64 127.75 2kcq n GLU 118 Ca 0.17 0.20 -0.11 0.00 0.66 0.00 0.00 57.16 58.08 2kcq n GLU 118 Cb 0.47 -0.67 -0.05 0.00 0.27 0.00 0.00 31.44 31.46 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 -3.16 -0.86 -0.11 4.31 0.00 -1.21 -4.99 121.76 115.75 2kcq s ALA 119 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 2kcq s ALA 119 Cb 0.00 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 2kcq s ALA 119 CO 0.00 -0.58 0.08 -0.51 0.00 0.00 0.00 175.76 174.75 2kcq s LEU 120 N -2.63 4.03 -0.02 0.00 1.43 -1.26 -0.02 118.68 120.21 2kcq s LEU 120 Ca 0.01 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2kcq s LEU 120 Cb 0.02 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.30 2kcq s LEU 120 CO -0.10 0.37 0.02 0.42 0.23 0.00 0.00 176.35 177.30 2kcq s THR 121 N -0.82 -0.02 -0.11 5.49 -4.23 0.13 -4.99 115.64 111.09 2kcq s THR 121 Ca 0.13 0.18 -0.01 0.00 -1.18 0.00 0.00 61.69 60.80 2kcq s THR 121 Cb -0.12 -0.10 -0.03 0.00 1.34 0.00 0.00 72.50 73.59 2kcq s THR 121 CO 0.03 0.09 -0.05 0.00 -0.54 0.00 0.00 174.62 174.15 2kcq s ALA 122 N 0.96 3.02 -0.02 3.99 0.00 -1.26 0.25 121.76 128.69 2kcq s ALA 122 Ca -0.08 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.06 2kcq s ALA 122 Cb -0.12 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.60 2kcq s ALA 122 CO -0.03 0.41 -0.12 -1.58 0.00 0.00 0.00 175.76 174.45 2kcq s TRP 123 N -0.28 1.18 -0.13 0.00 0.52 0.35 -1.18 118.94 119.40 2kcq s TRP 123 Ca 0.04 -0.29 -0.05 0.00 0.02 0.00 0.00 56.10 55.83 2kcq s TRP 123 Cb -0.13 -0.80 -0.04 0.00 -1.15 0.00 0.00 33.47 31.36 2kcq s TRP 123 CO 0.02 -0.09 0.04 0.00 0.02 0.00 0.00 176.95 176.95 2kcq s ALA 124 N 0.01 3.40 0.05 0.98 0.00 -0.24 -1.08 121.76 124.89 2kcq s ALA 124 Ca -0.01 -0.76 -0.20 0.00 0.00 0.00 0.00 51.96 51.00 2kcq s ALA 124 Cb -0.08 -1.73 -0.06 0.00 0.00 0.00 0.00 23.12 21.25 2kcq s ALA 124 CO 0.01 0.42 0.58 -1.17 0.00 0.00 0.00 175.76 175.59 2kcq s LEU 125 N -0.36 4.50 0.34 0.00 2.96 -1.26 -0.94 118.68 123.92 2kcq s LEU 125 Ca 0.08 1.24 -0.29 0.00 -0.22 0.00 0.00 54.13 54.94 2kcq s LEU 125 Cb -0.12 -2.90 -0.11 0.00 0.50 0.00 0.00 46.19 43.56 2kcq s LEU 125 CO 0.02 0.23 1.45 0.00 -1.32 0.00 0.00 176.35 176.73 2kcq s ALA 126 N -0.89 3.58 0.60 5.97 0.00 -0.89 -4.78 121.76 125.36 2kcq s ALA 126 Ca 0.29 1.46 0.32 0.00 0.00 0.00 0.00 51.96 54.04 2kcq s ALA 126 Cb -0.19 -3.57 1.92 0.00 0.00 0.00 0.00 23.12 21.28 2kcq s ALA 126 CO 0.19 -0.90 2.28 -1.00 0.00 0.00 0.00 175.76 176.32 2kcq h PRO 127 N 3.59 0.00 -0.00 0.00 0.13 -1.96 0.15 132.00 133.91 2kcq h PRO 127 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kcq h PRO 127 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kcq h PRO 127 CO 0.68 0.00 -0.19 -3.47 -0.23 0.00 0.00 178.00 174.79 2kcq n ASP 128 N -3.73 0.31 -2.67 1.44 2.03 -1.26 -4.98 116.55 107.69 2kcq n ASP 128 Ca -0.03 -0.09 -0.06 0.00 0.52 0.00 0.00 54.79 55.13 2kcq n ASP 128 Cb 0.08 -0.12 0.01 0.00 -0.72 0.00 0.00 41.12 40.36 2kcq n ASP 128 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kcq n ARG 129 N -1.32 -2.28 0.10 -0.67 0.00 0.53 -5.02 116.66 108.00 2kcq n ARG 129 Ca 0.09 2.04 0.00 0.00 -0.00 0.00 0.00 57.85 59.98 2kcq n ARG 129 Cb 0.32 -5.15 0.00 0.00 0.00 0.00 0.00 32.46 27.63 2kcq n ARG 129 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2kcq n SER 130 N -0.16 -0.01 -3.47 6.15 3.41 -1.26 -5.04 113.62 113.24 2kcq n SER 130 Ca 0.09 0.34 -0.18 0.00 -0.26 0.00 0.00 58.87 58.86 2kcq n SER 130 Cb 0.34 0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 64.45 2kcq n SER 130 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2kcq s GLU 131 N -2.00 1.69 0.03 4.33 -1.05 -1.26 -5.04 118.70 115.40 2kcq s GLU 131 Ca 0.00 -1.95 0.05 0.00 -0.15 0.00 0.00 54.97 52.92 2kcq s GLU 131 Cb 0.00 0.33 -0.03 0.00 -0.44 0.00 0.00 34.13 33.98 2kcq s GLU 131 CO 0.00 -0.62 -0.09 -0.06 0.95 0.00 0.00 175.26 175.43 2kcq s PHE 132 N -3.52 2.80 -0.04 4.83 0.08 -1.26 -2.10 117.98 118.76 2kcq s PHE 132 Ca 0.40 -0.10 0.05 0.00 0.12 0.00 0.00 56.93 57.40 2kcq s PHE 132 Cb 0.03 -1.55 -0.01 0.00 -0.57 0.00 0.00 43.02 40.92 2kcq s PHE 132 CO 0.25 0.36 -0.20 -3.38 -0.10 0.00 0.00 175.22 172.15 2kcq s HIS 133 N -1.03 1.92 0.33 0.36 -3.43 -0.12 -4.95 115.29 108.38 2kcq s HIS 133 Ca 0.18 -0.51 -0.29 0.00 -0.80 0.00 0.00 55.06 53.64 2kcq s HIS 133 Cb -0.11 -1.27 -0.12 0.00 -1.43 0.00 0.00 32.58 29.65 2kcq s HIS 133 CO 0.08 -0.14 1.42 -2.13 -2.00 0.00 0.00 174.74 171.97 2kcq n ARG 134 N 2.95 2.40 -4.41 -0.38 3.00 -1.26 -1.08 116.66 117.88 2kcq n ARG 134 Ca -0.17 0.84 -0.21 0.00 -0.00 0.00 0.00 57.85 58.31 2kcq n ARG 134 Cb 0.53 -2.52 -0.10 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 -1.52 1.49 0.03 -0.14 2.56 -0.32 -4.80 118.70 116.00 2kcq s GLU 135 Ca 0.58 -1.70 -0.00 0.00 0.00 0.00 0.00 54.97 53.84 2kcq s GLU 135 Cb -0.54 -1.28 -0.04 0.00 2.00 0.00 0.00 34.13 34.27 2kcq s GLU 135 CO 0.59 0.16 0.15 -0.51 -0.56 0.00 0.00 175.26 175.09 2kcq s ASP 136 N -3.41 6.05 -0.35 -1.70 1.11 -1.26 -4.47 116.67 112.64 2kcq s ASP 136 Ca 0.27 0.21 -0.15 0.00 0.18 0.00 0.00 52.55 53.05 2kcq s ASP 136 Cb 0.00 -1.80 -0.01 0.00 1.07 0.00 0.00 42.92 42.18 2kcq s ASP 136 CO 0.10 0.21 0.34 -0.63 1.18 0.00 0.00 175.17 176.38 2kcq s ILE 137 N -1.37 5.19 0.20 0.77 -1.09 -1.26 -4.25 121.20 119.39 2kcq s ILE 137 Ca 0.29 -0.04 0.11 0.00 -2.23 0.00 0.00 60.65 58.79 2kcq s ILE 137 Cb -0.13 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 2kcq s ILE 137 CO 0.22 -0.09 -0.23 -0.69 -1.23 0.00 0.00 174.94 172.92 2kcq s VAL 138 N 1.95 2.29 -0.09 2.92 1.01 -1.13 -5.04 120.40 122.31 2kcq s VAL 138 Ca 0.10 -2.06 -0.11 0.00 0.00 0.00 0.00 61.98 59.91 2kcq s VAL 138 Cb -0.17 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 2kcq s VAL 138 CO 0.11 -0.18 0.26 -0.13 0.00 0.00 0.00 175.10 175.17 2kcq s ARG 139 N -2.78 3.79 -0.33 2.72 0.52 -1.26 -2.03 118.95 119.57 2kcq s ARG 139 Ca 0.21 0.10 -0.28 0.00 -0.52 0.00 0.00 55.73 55.24 2kcq s ARG 139 Cb -0.07 -3.25 -0.02 0.00 0.52 0.00 0.00 34.95 32.12 2kcq s ARG 139 CO 0.10 0.63 1.87 -2.14 0.02 0.00 0.00 175.30 175.79 2kcq s PRO 140 N -0.73 3.25 -0.64 3.54 0.02 -1.26 -4.94 135.00 134.25 2kcq s PRO 140 Ca 0.18 1.48 -0.24 0.00 0.02 0.00 0.00 61.00 62.44 2kcq s PRO 140 Cb -0.14 -4.24 0.05 0.00 0.02 0.00 0.00 34.50 30.20 2kcq s PRO 140 CO 0.07 -1.95 1.03 -0.51 -0.33 0.00 0.00 177.00 175.31 2kcq s ASP 141 N 6.61 6.24 -0.12 2.53 1.01 -1.26 -4.93 116.67 126.74 2kcq s ASP 141 Ca 0.83 -0.63 -0.01 0.00 0.71 0.00 0.00 52.55 53.45 2kcq s ASP 141 Cb -0.23 -2.46 0.06 0.00 1.01 0.00 0.00 42.92 41.30 2kcq s ASP 141 CO 0.33 -1.45 2.11 -0.81 0.21 0.00 0.00 175.17 175.56 2kcq n PRO 142 N 7.99 1.36 0.00 8.23 -0.04 -1.26 -3.28 135.00 148.00 2kcq n PRO 142 Ca -0.00 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.82 2kcq n PRO 142 Cb 0.47 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 1.15 2.60 -2.43 0.54 1.02 -1.26 -5.01 120.64 117.25 2kcq n GLU 143 Ca 0.14 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.85 2kcq n GLU 143 Cb 0.55 -0.81 -0.03 0.00 -0.02 0.00 0.00 31.44 31.14 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 -1.60 3.47 0.30 0.62 0.00 -1.21 -4.99 121.76 118.35 2kcq s ALA 144 Ca 0.00 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 2kcq s ALA 144 Cb 0.00 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 2kcq s ALA 144 CO 0.00 -0.68 1.44 -2.14 0.00 0.00 0.00 175.76 174.39 2kcq s PRO 145 N 1.89 4.24 0.00 0.00 0.02 -1.26 -5.03 135.00 134.85 2kcq s PRO 145 Ca 0.57 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.97 2kcq s PRO 145 Cb -0.27 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.19 2kcq s PRO 145 CO 0.24 -0.42 0.00 1.28 -0.33 0.00 0.00 177.00 177.77 2kcq n LEU 146 N 1.65 0.00 -4.66 -5.54 4.77 -1.26 -5.01 117.00 106.94 2kcq n LEU 146 Ca 0.04 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 2kcq n LEU 146 Cb 0.40 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2kcq n LEU 146 CO 0.61 -0.20 0.75 1.21 -1.33 0.00 0.00 177.39 178.43 2kcq n GLU 147 N -0.40 1.67 -0.15 3.23 0.00 -1.26 -4.87 120.64 118.86 2kcq n GLU 147 Ca 0.00 0.60 0.08 0.00 0.00 0.00 0.00 57.16 57.84 2kcq n GLU 147 Cb 0.00 -2.22 0.26 0.00 0.00 0.00 0.00 31.44 29.48 2kcq n GLU 147 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2kcq n HIS 148 N -0.28 0.39 -1.94 4.31 8.25 -1.26 -4.90 115.22 119.78 2kcq n HIS 148 Ca 0.08 -0.19 -0.36 0.00 -0.26 0.00 0.00 57.72 56.98 2kcq n HIS 148 Cb 0.39 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.54 2kcq n HIS 148 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kcq s HIS 149 N -1.61 2.31 -0.24 4.41 3.76 -1.26 -5.00 115.29 117.66 2kcq s HIS 149 Ca 0.29 1.51 -0.10 0.00 -0.15 0.00 0.00 55.06 56.61 2kcq s HIS 149 Cb 0.15 -3.53 -0.05 0.00 1.11 0.00 0.00 32.58 30.27 2kcq s HIS 149 CO 0.22 -2.39 0.14 -1.58 -0.85 0.00 0.00 174.74 170.28 2kcq s HIS 150 N -1.55 3.25 0.46 1.40 2.46 -1.26 -5.08 115.29 114.97 2kcq s HIS 150 Ca 0.79 0.08 -0.16 0.00 0.47 0.00 0.00 55.06 56.24 2kcq s HIS 150 Cb -0.32 -2.26 -0.08 0.00 -0.13 0.00 0.00 32.58 29.79 2kcq s HIS 150 CO 0.35 -0.03 0.91 -1.01 -2.47 0.00 0.00 174.74 172.49 2kcq s HIS 151 N 1.18 3.43 0.00 3.88 3.76 -1.26 -4.78 115.29 121.50 2kcq s HIS 151 Ca 0.06 1.37 0.00 0.00 -0.15 0.00 0.00 55.06 56.35 2kcq s HIS 151 Cb -0.14 -2.70 0.00 0.00 1.11 0.00 0.00 32.58 30.85 2kcq s HIS 151 CO 0.05 -0.24 0.00 1.58 -0.85 0.00 0.00 174.74 175.28 2kcq n HIS 152 N -1.30 0.00 0.77 1.40 -0.00 -1.26 -5.33 115.22 109.50 2kcq n HIS 152 Ca 0.05 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.87 2kcq n HIS 152 Cb 0.54 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.61 2kcq n HIS 152 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06