#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 3.63 0.31 2.12 3.01 -0.14 -3.87 119.74 124.79 2kcq s LYS 2 Ca 0.00 -0.21 -0.17 0.00 -1.01 0.00 0.00 55.97 54.59 2kcq s LYS 2 Cb 0.00 -3.20 0.03 0.00 -1.01 0.00 0.00 37.83 33.64 2kcq s LYS 2 CO 0.00 0.60 0.68 -0.08 0.51 0.00 0.00 175.35 177.06 2kcq s THR 3 N -0.52 0.00 0.17 2.17 -1.32 -0.57 -1.04 115.64 114.52 2kcq s THR 3 Ca 0.12 -1.11 0.08 0.00 -1.21 0.00 0.00 61.69 59.56 2kcq s THR 3 Cb -0.12 -2.36 -0.04 0.00 -1.51 0.00 0.00 72.50 68.47 2kcq s THR 3 CO 0.02 0.00 -0.05 0.42 -2.21 0.00 0.00 174.62 172.79 2kcq s THR 4 N -3.37 3.44 0.53 5.08 -4.23 -1.26 -3.97 115.64 111.86 2kcq s THR 4 Ca 0.16 -1.52 0.21 0.00 -1.18 0.00 0.00 61.69 59.36 2kcq s THR 4 Cb -0.04 -2.71 0.33 0.00 1.34 0.00 0.00 72.50 71.42 2kcq s THR 4 CO 0.10 -0.09 2.08 1.55 -0.54 0.00 0.00 174.62 177.72 2kcq h PRO 5 N 2.89 0.00 -0.67 3.99 0.13 -1.98 -1.24 132.00 135.12 2kcq h PRO 5 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kcq h PRO 5 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2kcq h PRO 5 CO 0.56 0.00 0.41 0.22 -0.23 0.00 0.00 178.00 178.96 2kcq h ASP 6 N 0.00 0.79 -0.32 1.44 1.82 -1.99 0.25 116.42 118.40 2kcq h ASP 6 Ca 0.12 -0.05 -0.09 0.00 -0.39 0.00 0.00 57.03 56.62 2kcq h ASP 6 Cb 0.49 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.29 2kcq h ASP 6 CO -0.00 0.61 -0.14 0.40 -1.61 0.00 0.00 179.24 178.49 2kcq h ILE 7 N 0.90 1.29 -0.82 2.25 1.08 -1.66 -2.55 117.51 118.00 2kcq h ILE 7 Ca 0.24 -1.24 0.08 0.00 -0.39 0.00 0.00 64.86 63.55 2kcq h ILE 7 Cb -0.05 1.41 -0.07 0.00 -3.07 0.00 0.00 36.82 35.05 2kcq h ILE 7 CO -0.05 0.40 0.49 -0.07 -0.69 0.00 0.00 178.15 178.23 2kcq h LEU 8 N 0.43 0.73 -0.39 1.44 3.38 -0.92 -0.84 115.31 119.14 2kcq h LEU 8 Ca 0.07 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2kcq h LEU 8 Cb 0.67 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2kcq h LEU 8 CO 0.04 0.44 -0.12 -0.78 0.09 0.00 0.00 178.44 178.12 2kcq h ASP 9 N 0.85 0.79 -0.22 -0.43 3.58 -0.91 -1.34 116.42 118.74 2kcq h ASP 9 Ca 0.38 -0.37 0.04 0.00 0.42 0.00 0.00 57.03 57.50 2kcq h ASP 9 Cb 0.27 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2kcq h ASP 9 CO -0.21 0.98 0.15 1.56 -2.88 0.00 0.00 179.24 178.84 2kcq h GLN 10 N 0.59 0.11 0.01 0.28 4.20 -0.93 0.32 115.11 119.69 2kcq h GLN 10 Ca 0.10 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 2kcq h GLN 10 Cb 0.65 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.40 2kcq h GLN 10 CO 0.04 0.07 -0.01 0.82 -0.67 0.00 0.00 178.83 179.09 2kcq h ILE 11 N 0.11 1.44 -0.43 2.54 2.04 -0.66 -3.19 117.51 119.35 2kcq h ILE 11 Ca 0.10 -1.37 -0.09 0.00 1.00 0.00 0.00 64.86 64.49 2kcq h ILE 11 Cb 0.25 2.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 2kcq h ILE 11 CO -0.01 0.35 -0.09 0.08 0.00 0.00 0.00 178.15 178.48 2kcq h ARG 12 N -0.61 0.77 -0.07 2.37 0.11 -0.58 -1.07 114.38 115.29 2kcq h ARG 12 Ca -0.00 -0.24 -0.01 0.00 0.10 0.00 0.00 59.98 59.83 2kcq h ARG 12 Cb 0.59 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.60 2kcq h ARG 12 CO 0.00 0.84 0.02 0.28 0.10 0.00 0.00 179.97 181.21 2kcq h VAL 13 N 0.70 1.18 0.00 0.08 2.07 -1.08 -1.31 116.25 117.89 2kcq h VAL 13 Ca 0.12 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 2kcq h VAL 13 Cb 0.56 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2kcq h VAL 13 CO 0.03 0.16 -0.33 -0.74 0.02 0.00 0.00 177.57 176.72 2kcq h HIS 14 N -0.09 0.00 -0.39 1.57 -0.00 -1.52 -1.15 115.15 113.58 2kcq h HIS 14 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.30 2kcq h HIS 14 Cb 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 2kcq h HIS 14 CO 0.00 0.33 -0.11 0.78 -0.00 0.00 0.00 177.93 178.92 2kcq h GLY 15 N 1.14 0.83 1.63 5.26 0.00 -0.81 -0.22 103.07 110.91 2kcq h GLY 15 Ca -0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 47.33 46.45 2kcq h GLY 15 CO 0.04 0.64 -0.71 0.00 0.00 0.00 0.00 176.54 176.52 2kcq h ALA 16 N 0.83 0.65 -0.57 3.60 0.00 -1.05 -2.94 119.26 119.78 2kcq h ALA 16 Ca 0.10 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 2kcq h ALA 16 Cb 0.64 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2kcq h ALA 16 CO 0.04 0.76 0.15 0.22 0.00 0.00 0.00 179.25 180.43 2kcq h ASP 17 N 0.25 0.81 -1.70 0.00 3.58 -1.12 -3.12 116.42 115.12 2kcq h ASP 17 Ca -0.02 -0.14 -0.69 0.00 0.42 0.00 0.00 57.03 56.59 2kcq h ASP 17 Cb 1.27 -0.21 -0.33 0.00 1.72 0.00 0.00 39.33 41.78 2kcq h ASP 17 CO 0.12 0.79 0.38 0.00 -2.88 0.00 0.00 179.24 177.65 2kcq n ALA 18 N -2.46 5.97 -2.36 -0.78 0.00 -0.10 -5.00 120.51 115.77 2kcq n ALA 18 Ca 0.04 -4.12 -0.37 0.00 0.00 0.00 0.00 53.44 48.99 2kcq n ALA 18 Cb 0.22 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 2kcq n ALA 18 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2kcq s TYR 19 N -3.86 3.71 -0.83 0.00 5.04 -1.12 -1.69 117.35 118.59 2kcq s TYR 19 Ca 0.52 1.12 0.26 0.00 -2.44 0.00 0.00 57.07 56.53 2kcq s TYR 19 Cb 0.43 -2.40 0.75 0.00 0.35 0.00 0.00 41.96 41.10 2kcq s TYR 19 CO -0.29 0.54 1.64 -0.35 -1.34 0.00 0.00 175.55 175.75 2kcq n PRO 20 N 1.37 0.15 -3.28 4.97 -0.04 -1.26 -4.90 135.00 132.01 2kcq n PRO 20 Ca -0.09 0.08 0.03 0.00 -0.04 0.00 0.00 63.50 63.48 2kcq n PRO 20 Cb 0.51 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 32.31 2kcq n PRO 20 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2kcq s GLU 21 N -3.07 0.32 0.00 0.54 -1.05 -0.68 -4.80 118.70 109.96 2kcq s GLU 21 Ca 0.11 0.69 0.00 0.00 -0.15 0.00 0.00 54.97 55.61 2kcq s GLU 21 Cb 0.15 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 2kcq s GLU 21 CO 0.63 -0.23 0.00 0.39 0.95 0.00 0.00 175.26 176.99 2kcq n GLU 22 N 5.25 0.00 -2.67 -4.83 -0.58 -0.73 -5.02 120.64 112.07 2kcq n GLU 22 Ca -0.07 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.66 2kcq n GLU 22 Cb 0.52 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.46 2kcq n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kcq n GLY 23 N 0.00 1.79 2.26 0.62 0.00 -1.26 -4.94 105.19 103.67 2kcq n GLY 23 Ca 0.00 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 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 0.09 -0.73 3.67 0.00 0.00 -1.17 0.51 105.19 107.57 2kcq n GLY 25 Ca 0.10 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 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 2.75 -0.28 1.61 0.08 -1.03 -1.27 117.98 116.84 2kcq s PHE 26 Ca 0.00 -0.21 -0.11 0.00 0.12 0.00 0.00 56.93 56.73 2kcq s PHE 26 Cb 0.00 -1.22 -0.05 0.00 -0.57 0.00 0.00 43.02 41.18 2kcq s PHE 26 CO 0.00 0.61 0.18 -0.51 -0.10 0.00 0.00 175.22 175.39 2kcq s LEU 27 N -3.70 3.96 -0.14 -0.37 1.43 0.11 -3.23 118.68 116.74 2kcq s LEU 27 Ca 0.32 -0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.32 2kcq s LEU 27 Cb -0.07 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 2kcq s LEU 27 CO 0.21 -0.05 0.04 -0.76 0.23 0.00 0.00 176.35 176.01 2kcq s LEU 28 N 1.74 3.75 0.00 1.79 1.43 -0.17 -0.78 118.68 126.43 2kcq s LEU 28 Ca 0.07 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2kcq s LEU 28 Cb -0.16 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.15 2kcq s LEU 28 CO 0.10 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.56 2kcq n GLY 29 N 2.92 1.21 3.18 -3.19 0.00 -0.21 -0.46 105.19 108.64 2kcq n GLY 29 Ca -0.18 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.11 0.63 -0.52 2.61 -4.23 -1.02 -0.34 115.64 110.67 2kcq s THR 30 Ca 0.00 -1.94 -0.23 0.00 -1.18 0.00 0.00 61.69 58.34 2kcq s THR 30 Cb 0.00 -1.78 0.04 0.00 1.34 0.00 0.00 72.50 72.10 2kcq s THR 30 CO 0.00 -0.78 0.85 -0.69 -0.54 0.00 0.00 174.62 173.46 2kcq s VAL 31 N -3.67 4.53 -0.14 2.29 1.01 -1.26 0.14 120.40 123.31 2kcq s VAL 31 Ca 0.15 0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.26 2kcq s VAL 31 Cb 0.06 -4.45 -0.25 0.00 0.00 0.00 0.00 36.38 31.74 2kcq s VAL 31 CO -0.03 -0.96 0.30 1.07 0.00 0.00 0.00 175.10 175.48 2kcq n THR 32 N 6.09 1.75 0.64 3.92 5.66 -0.64 -3.13 114.28 128.57 2kcq n THR 32 Ca 0.01 -0.63 0.11 0.00 -3.05 0.00 0.00 64.05 60.48 2kcq n THR 32 Cb 0.47 -1.71 0.44 0.00 -1.55 0.00 0.00 70.33 67.99 2kcq n THR 32 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2kcq n ASP 33 N -3.48 0.22 0.00 1.09 9.92 -1.21 -4.83 116.55 118.25 2kcq n ASP 33 Ca -0.33 0.54 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 2kcq n ASP 33 Cb 1.03 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 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 -1.73 -4.30 0.00 -2.24 2.03 -1.18 -4.66 116.55 104.47 2kcq n ASP 34 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2kcq n ASP 34 Cb 0.26 -1.91 0.00 0.00 -0.72 0.00 0.00 41.12 38.75 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 -1.12 0.00 3.20 0.27 0.00 -1.26 -5.08 105.19 101.20 2kcq n GLY 35 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.76 1.67 0.13 1.61 2.15 -1.26 -5.05 116.67 115.16 2kcq s ASP 36 Ca 0.00 -0.80 -0.08 0.00 0.43 0.00 0.00 52.55 52.11 2kcq s ASP 36 Cb 0.00 -0.03 -0.06 0.00 -0.30 0.00 0.00 42.92 42.53 2kcq s ASP 36 CO 0.00 -0.20 0.42 0.54 -0.17 0.00 0.00 175.17 175.76 2kcq s ASN 37 N -2.39 6.58 0.06 -0.34 2.20 -1.26 -1.62 114.94 118.16 2kcq s ASN 37 Ca 0.06 0.74 0.07 0.00 -0.94 0.00 0.00 52.86 52.79 2kcq s ASN 37 Cb -0.04 -2.15 -0.03 0.00 -2.00 0.00 0.00 41.25 37.02 2kcq s ASN 37 CO 0.01 0.08 -0.18 0.00 -2.94 0.00 0.00 177.10 174.07 2kcq s ARG 38 N -2.37 2.01 -0.27 3.55 1.70 0.12 -0.97 118.95 122.73 2kcq s ARG 38 Ca 0.39 -1.02 -0.09 0.00 -0.47 0.00 0.00 55.73 54.54 2kcq s ARG 38 Cb -0.13 -2.17 -0.04 0.00 -0.57 0.00 0.00 34.95 32.04 2kcq s ARG 38 CO 0.21 0.53 0.12 0.08 -1.08 0.00 0.00 175.30 175.16 2kcq s VAL 39 N -0.97 4.73 0.00 4.99 1.01 -0.21 -2.44 120.40 127.51 2kcq s VAL 39 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2kcq s VAL 39 Cb -0.11 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2kcq s VAL 39 CO 0.06 0.29 0.00 0.00 0.00 0.00 0.00 175.10 175.45 2kcq n ALA 40 N 4.98 1.95 -3.03 5.51 0.00 -0.76 -4.66 120.51 124.50 2kcq n ALA 40 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.02 2kcq n ALA 40 Cb 0.51 0.31 -0.16 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.92 1.56 0.09 0.00 0.00 0.39 -5.02 121.76 116.86 2kcq s ALA 41 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 2kcq s ALA 41 Cb 0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2kcq s ALA 41 CO 0.00 0.25 0.26 -0.51 0.00 0.00 0.00 175.76 175.76 2kcq s LEU 42 N 0.17 4.33 -0.10 0.00 1.43 -1.26 -1.00 118.68 122.25 2kcq s LEU 42 Ca -0.07 0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.30 2kcq s LEU 42 Cb -0.13 -3.05 0.03 0.00 0.03 0.00 0.00 46.19 43.07 2kcq s LEU 42 CO 0.03 0.13 0.25 -1.00 0.23 0.00 0.00 176.35 175.99 2kcq s HIS 43 N -1.56 -0.29 -0.00 0.29 3.76 -1.20 -4.93 115.29 111.35 2kcq s HIS 43 Ca 0.37 0.70 -0.17 0.00 -0.15 0.00 0.00 55.06 55.81 2kcq s HIS 43 Cb -0.13 0.08 -0.06 0.00 1.11 0.00 0.00 32.58 33.59 2kcq s HIS 43 CO 0.27 -0.16 0.47 1.03 -0.85 0.00 0.00 174.74 175.50 2kcq s ARG 44 N 0.41 4.08 -0.00 1.40 1.81 -1.26 -2.47 118.95 122.92 2kcq s ARG 44 Ca -0.02 0.51 -0.30 0.00 -1.72 0.00 0.00 55.73 54.20 2kcq s ARG 44 Cb -0.04 -3.27 -0.07 0.00 -0.45 0.00 0.00 34.95 31.12 2kcq s ARG 44 CO -0.02 0.57 1.75 0.00 -0.68 0.00 0.00 175.30 176.92 2kcq s ALA 45 N -0.76 3.62 -0.08 2.13 0.00 0.18 -4.89 121.76 121.98 2kcq s ALA 45 Ca 0.26 1.11 -0.31 0.00 0.00 0.00 0.00 51.96 53.02 2kcq s ALA 45 Cb -0.17 -3.77 0.09 0.00 0.00 0.00 0.00 23.12 19.27 2kcq s ALA 45 CO 0.14 -1.40 0.77 -0.08 0.00 0.00 0.00 175.76 175.20 2kcq s THR 46 N 3.91 0.00 0.00 0.00 -1.32 -1.26 -4.84 115.64 112.13 2kcq s THR 46 Ca 0.78 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.26 2kcq s THR 46 Cb -0.37 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.62 2kcq s THR 46 CO 0.34 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.55 2kcq n ASN 47 N 0.82 0.00 -1.88 8.08 4.05 -1.26 -4.69 115.26 120.38 2kcq n ASN 47 Ca -0.16 0.00 -0.18 0.00 0.45 0.00 0.00 54.58 54.69 2kcq n ASN 47 Cb 0.57 0.19 -0.03 0.00 1.23 0.00 0.00 39.78 41.75 2kcq n ASN 47 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2kcq n ARG 48 N -1.84 -1.39 0.00 1.20 1.74 -1.26 -3.85 116.66 111.26 2kcq n ARG 48 Ca 0.00 0.94 0.00 0.00 -0.77 0.00 0.00 57.85 58.02 2kcq n ARG 48 Cb 0.00 -5.38 0.00 0.00 -1.02 0.00 0.00 32.46 26.06 2kcq n ARG 48 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2kcq n ARG 49 N -2.67 0.00 -2.92 5.56 3.00 -1.26 -4.37 116.66 114.00 2kcq n ARG 49 Ca -0.21 0.00 -0.22 0.00 -0.01 0.00 0.00 57.85 57.41 2kcq n ARG 49 Cb 0.64 -0.03 0.03 0.00 0.00 0.00 0.00 32.46 33.11 2kcq n ARG 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2kcq n SER 50 N 1.96 -5.99 0.20 0.55 2.88 -1.25 -4.91 113.62 107.06 2kcq n SER 50 Ca 0.00 -0.24 -0.15 0.00 -1.33 0.00 0.00 58.87 57.15 2kcq n SER 50 Cb 0.00 -4.87 -0.08 0.00 -0.75 0.00 0.00 64.21 58.51 2kcq n SER 50 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2kcq h GLU 51 N -1.13 -0.43 -5.83 -1.46 4.81 -1.95 -3.42 114.58 105.19 2kcq h GLU 51 Ca -0.52 0.03 -0.64 0.00 -0.13 0.00 0.00 59.36 58.10 2kcq h GLU 51 Cb 1.36 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.79 2kcq h GLU 51 CO 0.57 -0.27 -0.43 1.14 -0.73 0.00 0.00 179.01 179.29 2kcq s GLN 52 N -6.01 3.52 -0.23 1.92 -2.07 -1.26 -5.09 119.66 110.43 2kcq s GLN 52 Ca -0.15 -0.15 -0.21 0.00 -1.82 0.00 0.00 55.36 53.03 2kcq s GLN 52 Cb 0.04 -3.11 0.06 0.00 -1.09 0.00 0.00 33.01 28.92 2kcq s GLN 52 CO 0.64 0.68 0.61 0.50 -1.32 0.00 0.00 175.29 176.40 2kcq s ARG 53 N -1.67 0.71 0.00 9.60 3.52 -1.26 -5.10 118.95 124.76 2kcq s ARG 53 Ca 0.25 0.85 -0.16 0.00 -0.13 0.00 0.00 55.73 56.54 2kcq s ARG 53 Cb -0.13 0.34 -0.09 0.00 -1.56 0.00 0.00 34.95 33.51 2kcq s ARG 53 CO 0.15 -0.09 0.92 1.15 -0.81 0.00 0.00 175.30 176.62 2kcq h THR 54 N 4.19 0.00 -3.37 4.11 2.02 -2.00 -3.44 112.91 114.42 2kcq h THR 54 Ca -0.28 -0.21 -0.67 0.00 0.77 0.00 0.00 66.41 66.01 2kcq h THR 54 Cb 1.17 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.43 2kcq h THR 54 CO 0.12 0.00 -0.64 -0.13 0.37 0.00 0.00 175.52 175.24 2kcq s ARG 55 N -3.75 2.87 0.25 6.66 0.52 -1.26 -4.98 118.95 119.26 2kcq s ARG 55 Ca -0.09 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 2kcq s ARG 55 Cb 0.01 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 32.76 2kcq s ARG 55 CO 0.26 0.66 0.00 -2.13 0.02 0.00 0.00 175.30 174.11 2kcq n ARG 56 N 1.80 -2.34 -0.10 3.54 0.63 -1.26 -4.97 116.66 113.96 2kcq n ARG 56 Ca -0.17 1.73 -0.12 0.00 -0.92 0.00 0.00 57.85 58.37 2kcq n ARG 56 Cb 0.53 -1.94 -0.12 0.00 0.45 0.00 0.00 32.46 31.39 2kcq n ARG 56 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 2kcq n TYR 57 N -0.73 0.00 -4.75 -0.14 9.36 -1.26 -4.73 117.16 114.91 2kcq n TYR 57 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2kcq n TYR 57 Cb 0.00 -0.84 0.00 0.00 -0.63 0.00 0.00 39.34 37.87 2kcq n TYR 57 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2kcq n GLU 58 N -2.93 0.00 0.00 2.98 1.02 -1.26 -4.97 120.64 115.48 2kcq n GLU 58 Ca -0.34 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.80 2kcq n GLU 58 Cb 0.97 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.39 2kcq n GLU 58 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2kcq n LEU 59 N 0.00 0.00 -3.82 -4.62 -0.00 -1.26 -4.99 117.00 102.32 2kcq n LEU 59 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 2kcq n LEU 59 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 2kcq n LEU 59 CO 0.00 0.00 1.68 0.35 -0.00 0.00 0.00 177.39 179.42 2kcq n THR 60 N -0.17 5.08 -1.04 1.47 -2.24 -1.26 -4.49 114.28 111.62 2kcq n THR 60 Ca 0.00 -5.12 0.09 0.00 -2.27 0.00 0.00 64.05 56.74 2kcq n THR 60 Cb 0.00 -2.11 0.12 0.00 -2.10 0.00 0.00 70.33 66.24 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 2.11 2.22 -0.93 6.98 0.00 -1.26 -4.88 120.51 124.76 2kcq n ALA 61 Ca 0.40 -2.40 -0.29 0.00 0.00 0.00 0.00 53.44 51.14 2kcq n ALA 61 Cb 0.32 -0.35 0.18 0.00 0.00 0.00 0.00 19.45 19.59 2kcq n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kcq s ASP 62 N -2.62 2.55 0.35 0.00 2.15 -1.26 -4.81 116.67 113.03 2kcq s ASP 62 Ca 0.28 1.58 0.08 0.00 0.43 0.00 0.00 52.55 54.92 2kcq s ASP 62 Cb 0.24 -2.24 0.79 0.00 -0.30 0.00 0.00 42.92 41.41 2kcq s ASP 62 CO 0.03 -3.23 1.86 0.44 -0.17 0.00 0.00 175.17 174.09 2kcq h ASP 63 N -1.96 0.68 -0.77 -0.34 5.19 -1.98 0.01 116.42 117.25 2kcq h ASP 63 Ca -0.53 0.05 0.08 0.00 -0.62 0.00 0.00 57.03 56.01 2kcq h ASP 63 Cb 1.30 -0.09 -0.07 0.00 0.18 0.00 0.00 39.33 40.65 2kcq h ASP 63 CO 0.51 0.34 0.43 0.22 -3.12 0.00 0.00 179.24 177.62 2kcq h TYR 64 N 0.72 0.78 -0.38 4.55 5.03 -1.93 -2.11 116.97 123.64 2kcq h TYR 64 Ca 0.47 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.73 2kcq h TYR 64 Cb 0.73 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.75 2kcq h TYR 64 CO -0.00 0.33 -0.07 0.00 -1.32 0.00 0.00 178.16 177.09 2kcq h ARG 65 N 0.74 0.64 -0.38 1.82 2.47 -1.32 0.11 114.38 118.47 2kcq h ARG 65 Ca 0.37 -0.18 -0.05 0.00 -1.26 0.00 0.00 59.98 58.86 2kcq h ARG 65 Cb 0.31 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 2kcq h ARG 65 CO -0.23 0.71 0.05 0.00 0.56 0.00 0.00 179.97 181.07 2kcq h ALA 66 N 1.33 0.50 -0.24 0.04 0.00 -1.17 0.59 119.26 120.31 2kcq h ALA 66 Ca 0.11 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2kcq h ALA 66 Cb 0.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kcq h ALA 66 CO 0.03 0.21 -0.37 0.00 0.00 0.00 0.00 179.25 179.12 2kcq h ALA 67 N 0.91 0.91 -0.43 0.00 0.00 -1.32 -2.20 119.26 117.13 2kcq h ALA 67 Ca 0.11 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2kcq h ALA 67 Cb 0.37 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2kcq h ALA 67 CO 0.01 0.63 0.13 0.22 0.00 0.00 0.00 179.25 180.23 2kcq h ASP 68 N 0.45 0.64 -0.29 0.00 3.58 -0.38 0.72 116.42 121.14 2kcq h ASP 68 Ca 0.04 -0.21 0.02 0.00 0.42 0.00 0.00 57.03 57.30 2kcq h ASP 68 Cb 0.85 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.71 2kcq h ASP 68 CO 0.07 0.68 0.13 0.00 -2.88 0.00 0.00 179.24 177.24 2kcq h ALA 69 N 0.98 0.34 -0.45 -0.78 0.00 0.29 -1.46 119.26 118.19 2kcq h ALA 69 Ca 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2kcq h ALA 69 Cb 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2kcq h ALA 69 CO -0.00 -0.26 0.20 0.00 0.00 0.00 0.00 179.25 179.18 2kcq h ALA 70 N 1.16 1.51 0.15 0.00 0.00 -1.18 -0.98 119.26 119.93 2kcq h ALA 70 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kcq h ALA 70 Cb 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2kcq h ALA 70 CO -0.10 0.39 -0.07 0.00 0.00 0.00 0.00 179.25 179.46 2kcq h ALA 71 N 1.60 -0.20 -0.36 0.00 0.00 0.01 0.29 119.26 120.59 2kcq h ALA 71 Ca 0.16 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2kcq h ALA 71 Cb 0.09 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kcq h ALA 71 CO -0.02 -0.57 -0.04 1.96 0.00 0.00 0.00 179.25 180.58 2kcq h GLN 72 N -0.29 0.58 -0.79 0.00 7.50 -1.02 0.49 115.11 121.59 2kcq h GLN 72 Ca -0.02 -0.15 -0.03 0.00 0.50 0.00 0.00 58.65 58.96 2kcq h GLN 72 Cb 0.23 -0.07 -0.04 0.00 0.05 0.00 0.00 27.48 27.65 2kcq h GLN 72 CO 0.03 0.64 0.39 0.93 -1.50 0.00 0.00 178.83 179.32 2kcq h GLU 73 N 0.55 1.13 0.00 1.46 4.39 -0.94 -3.03 114.58 118.14 2kcq h GLU 73 Ca 0.11 -0.16 -0.13 0.00 0.34 0.00 0.00 59.36 59.52 2kcq h GLU 73 Cb 0.42 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2kcq h GLU 73 CO 0.02 0.87 -0.81 1.96 -1.16 0.00 0.00 179.01 179.89 2kcq h GLN 74 N 1.12 0.00 -0.01 2.33 4.20 -0.40 -3.48 115.11 118.87 2kcq h GLN 74 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2kcq h GLN 74 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2kcq h GLN 74 CO -0.04 0.45 0.00 0.41 -0.67 0.00 0.00 178.83 178.98 2kcq n GLY 75 N 1.28 1.29 1.42 3.46 0.00 0.85 -5.08 105.19 108.41 2kcq n GLY 75 Ca -0.02 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.00 0.00 -4.20 0.99 4.77 0.14 -4.97 117.00 113.73 2kcq n LEU 76 Ca 0.00 -1.27 -0.13 0.00 -0.03 0.00 0.00 56.01 54.58 2kcq n LEU 76 Cb 0.22 0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 2kcq n LEU 76 CO 0.00 -0.19 -0.18 1.51 -1.33 0.00 0.00 177.39 177.21 2kcq s ASP 77 N -2.08 0.41 -0.51 -1.43 -4.77 0.54 -4.01 116.67 104.83 2kcq s ASP 77 Ca 0.03 -1.42 -0.25 0.00 -3.30 0.00 0.00 52.55 47.61 2kcq s ASP 77 Cb 0.00 0.43 0.03 0.00 -1.09 0.00 0.00 42.92 42.30 2kcq s ASP 77 CO 0.02 -0.91 0.95 -0.69 0.70 0.00 0.00 175.17 175.24 2kcq s VAL 78 N -4.00 4.40 -0.99 2.11 1.01 -1.26 -1.04 120.40 120.63 2kcq s VAL 78 Ca 0.38 0.56 0.24 0.00 0.00 0.00 0.00 61.98 63.15 2kcq s VAL 78 Cb 0.05 -4.50 -0.08 0.00 0.00 0.00 0.00 36.38 31.85 2kcq s VAL 78 CO 0.15 -0.99 1.22 1.33 0.00 0.00 0.00 175.10 176.81 2kcq n VAL 79 N 6.35 0.00 -3.32 2.92 0.24 0.04 -4.97 118.33 119.60 2kcq n VAL 79 Ca 0.04 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 2kcq n VAL 79 Cb 0.48 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 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 1.50 -1.20 3.10 7.63 0.00 -1.19 -1.35 105.19 113.68 2kcq n GLY 80 Ca 0.05 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.00 0.46 -0.02 1.61 1.01 0.32 0.08 120.40 120.85 2kcq s VAL 81 Ca 0.00 -1.60 0.03 0.00 0.00 0.00 0.00 61.98 60.41 2kcq s VAL 81 Cb 0.00 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 2kcq s VAL 81 CO 0.00 -0.76 -0.10 -0.72 0.00 0.00 0.00 175.10 173.52 2kcq s TYR 82 N -2.97 1.00 0.15 5.22 1.13 -0.40 -0.76 117.35 120.72 2kcq s TYR 82 Ca 0.03 -0.23 0.10 0.00 -1.41 0.00 0.00 57.07 55.56 2kcq s TYR 82 Cb 0.01 -0.69 -0.04 0.00 -1.10 0.00 0.00 41.96 40.14 2kcq s TYR 82 CO -0.05 -0.08 -0.22 -1.01 -2.51 0.00 0.00 175.55 171.68 2kcq s HIS 83 N 0.03 2.39 -0.17 -3.49 3.76 0.67 -3.03 115.29 115.45 2kcq s HIS 83 Ca -0.01 -0.33 -0.06 0.00 -0.15 0.00 0.00 55.06 54.51 2kcq s HIS 83 Cb -0.07 -1.25 -0.04 0.00 1.11 0.00 0.00 32.58 32.33 2kcq s HIS 83 CO 0.00 0.41 0.04 -1.54 -0.85 0.00 0.00 174.74 172.80 2kcq s SER 84 N -2.33 5.45 0.08 1.40 1.04 -1.26 -2.18 113.70 115.90 2kcq s SER 84 Ca 0.18 0.05 0.10 0.00 0.48 0.00 0.00 55.95 56.76 2kcq s SER 84 Cb -0.09 -1.89 -0.03 0.00 0.10 0.00 0.00 66.02 64.10 2kcq s SER 84 CO 0.09 0.20 -0.26 -1.00 0.98 0.00 0.00 173.24 173.25 2kcq s HIS 85 N 0.23 2.23 0.00 5.02 3.76 -0.65 -4.96 115.29 120.92 2kcq s HIS 85 Ca 0.03 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 2kcq s HIS 85 Cb -0.13 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.28 2kcq s HIS 85 CO 0.01 0.21 0.00 -2.30 -0.85 0.00 0.00 174.74 171.81 2kcq n PRO 86 N 1.39 0.68 -1.04 8.40 -0.02 -1.26 -0.83 135.00 142.32 2kcq n PRO 86 Ca -0.18 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.95 2kcq n PRO 86 Cb 0.53 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.07 2kcq n PRO 86 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2kcq n ASP 87 N -0.73 -3.34 -0.83 2.55 2.03 -1.18 -4.09 116.55 110.97 2kcq n ASP 87 Ca 0.00 0.39 0.08 0.00 0.52 0.00 0.00 54.79 55.78 2kcq n ASP 87 Cb 0.00 -1.02 -0.04 0.00 -0.72 0.00 0.00 41.12 39.34 2kcq n ASP 87 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2kcq n HIS 88 N -2.66 -2.24 -1.69 -0.67 8.25 -1.26 -4.89 115.22 110.07 2kcq n HIS 88 Ca 0.05 1.23 -0.43 0.00 -0.26 0.00 0.00 57.72 58.31 2kcq n HIS 88 Cb 0.53 -2.05 -0.03 0.00 1.12 0.00 0.00 29.99 29.56 2kcq n HIS 88 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2kcq n PRO 89 N -3.05 2.75 -2.35 -0.41 -0.04 -1.26 -4.81 135.00 125.83 2kcq n PRO 89 Ca -0.04 1.00 -0.39 0.00 -0.04 0.00 0.00 63.50 64.03 2kcq n PRO 89 Cb 0.36 -2.88 -0.03 0.00 -0.04 0.00 0.00 33.50 30.91 2kcq n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kcq s ALA 90 N 2.51 2.45 0.04 0.55 0.00 -1.26 -4.97 121.76 121.08 2kcq s ALA 90 Ca 0.81 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 51.47 2kcq s ALA 90 Cb -0.50 -4.36 -0.04 0.00 0.00 0.00 0.00 23.12 18.23 2kcq s ALA 90 CO 0.37 -3.71 -0.04 1.03 0.00 0.00 0.00 175.76 173.41 2kcq s ARG 91 N 6.13 2.54 0.14 0.00 0.52 -1.26 -4.84 118.95 122.18 2kcq s ARG 91 Ca 0.50 -0.77 -0.33 0.00 -0.52 0.00 0.00 55.73 54.61 2kcq s ARG 91 Cb -0.08 -2.52 -0.13 0.00 0.52 0.00 0.00 34.95 32.74 2kcq s ARG 91 CO 0.10 0.58 1.64 -0.35 0.02 0.00 0.00 175.30 177.29 2kcq n PRO 92 N 1.18 2.27 -1.73 3.54 -0.04 -1.26 -4.99 135.00 133.97 2kcq n PRO 92 Ca -0.14 0.82 -0.28 0.00 -0.04 0.00 0.00 63.50 63.87 2kcq n PRO 92 Cb 0.52 -2.62 0.20 0.00 -0.04 0.00 0.00 33.50 31.56 2kcq n PRO 92 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kcq n SER 93 N 3.94 -0.06 -0.06 3.54 7.64 -1.26 -4.89 113.62 122.47 2kcq n SER 93 Ca 0.17 -1.43 -0.10 0.00 1.01 0.00 0.00 58.87 58.53 2kcq n SER 93 Cb 0.30 -0.95 -0.03 0.00 -1.01 0.00 0.00 64.21 62.51 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 -1.87 0.29 -0.16 -0.43 0.00 -2.00 -2.53 119.26 112.56 2kcq h ALA 94 Ca -0.40 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2kcq h ALA 94 Cb 1.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2kcq h ALA 94 CO 0.28 -0.20 -0.04 1.15 0.00 0.00 0.00 179.25 180.44 2kcq h THR 95 N 0.28 1.13 -0.57 0.00 2.02 -1.98 0.20 112.91 113.99 2kcq h THR 95 Ca 0.08 -0.53 0.05 0.00 0.77 0.00 0.00 66.41 66.78 2kcq h THR 95 Cb 0.02 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 2kcq h THR 95 CO -0.02 0.17 0.31 0.44 0.37 0.00 0.00 175.52 176.80 2kcq h ASP 96 N 0.23 0.46 -0.23 4.18 3.32 -1.81 -2.19 116.42 120.38 2kcq h ASP 96 Ca 0.05 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 2kcq h ASP 96 Cb 0.23 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2kcq h ASP 96 CO 0.01 0.31 -0.26 0.25 -1.72 0.00 0.00 179.24 177.83 2kcq h LEU 97 N 0.59 0.62 -0.98 1.55 7.12 -0.99 -3.07 115.31 120.15 2kcq h LEU 97 Ca 0.25 -0.49 0.16 0.00 0.13 0.00 0.00 57.88 57.93 2kcq h LEU 97 Cb 0.14 -0.18 -0.10 0.00 -0.53 0.00 0.00 40.66 39.99 2kcq h LEU 97 CO -0.16 0.98 0.59 -0.33 -0.13 0.00 0.00 178.44 179.40 2kcq h GLU 98 N 0.27 0.80 -0.46 1.25 5.08 -0.17 -0.53 114.58 120.84 2kcq h GLU 98 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2kcq h GLU 98 Cb 0.82 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2kcq h GLU 98 CO 0.06 0.53 0.00 0.39 -1.00 0.00 0.00 179.01 178.99 2kcq n GLU 99 N -4.73 2.54 -1.90 2.33 -0.58 -0.87 -4.65 120.64 112.78 2kcq n GLU 99 Ca 0.21 -2.35 -0.41 0.00 -0.42 0.00 0.00 57.16 54.18 2kcq n GLU 99 Cb 0.48 -1.51 -0.01 0.00 -0.57 0.00 0.00 31.44 29.82 2kcq n GLU 99 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kcq n ALA 100 N 1.49 6.22 -1.04 0.62 0.00 -0.21 -4.62 120.51 122.98 2kcq n ALA 100 Ca 0.20 -4.00 -0.13 0.00 0.00 0.00 0.00 53.44 49.51 2kcq n ALA 100 Cb 0.60 -3.15 0.25 0.00 0.00 0.00 0.00 19.45 17.15 2kcq n ALA 100 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kcq n THR 101 N 3.41 2.98 -3.68 0.00 -1.04 -1.26 -4.78 114.28 109.91 2kcq n THR 101 Ca 0.56 -1.68 -0.37 0.00 -2.04 0.00 0.00 64.05 60.52 2kcq n THR 101 Cb 0.31 -0.42 -0.08 0.00 -1.82 0.00 0.00 70.33 68.32 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 -3.02 3.57 -0.05 -1.42 0.08 -1.26 -5.07 117.98 110.81 2kcq s PHE 102 Ca 0.54 -2.79 -0.30 0.00 0.12 0.00 0.00 56.93 54.50 2kcq s PHE 102 Cb 0.44 -3.23 -0.04 0.00 -0.57 0.00 0.00 43.02 39.62 2kcq s PHE 102 CO 0.12 -0.81 1.34 -2.14 -0.10 0.00 0.00 175.22 173.63 2kcq s PRO 103 N -0.49 4.29 0.00 0.24 0.02 -1.26 -3.06 135.00 134.74 2kcq s PRO 103 Ca 0.20 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.07 2kcq s PRO 103 Cb -0.15 -3.63 0.00 0.00 0.02 0.00 0.00 34.50 30.74 2kcq s PRO 103 CO -0.07 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 2kcq n GLY 104 N 3.60 1.06 3.59 0.52 0.00 -1.26 -5.09 105.19 107.59 2kcq n GLY 104 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 2.79 -0.16 1.61 0.40 -1.17 -4.86 117.98 114.59 2kcq s PHE 105 Ca 0.00 -0.12 -0.14 0.00 -0.60 0.00 0.00 56.93 56.07 2kcq s PHE 105 Cb 0.00 -1.49 -0.05 0.00 0.51 0.00 0.00 43.02 41.99 2kcq s PHE 105 CO 0.00 0.41 0.31 0.99 0.70 0.00 0.00 175.22 177.62 2kcq s THR 106 N -1.15 5.30 -0.35 0.64 2.01 -0.45 -3.99 115.64 117.65 2kcq s THR 106 Ca 0.20 0.58 -0.09 0.00 0.31 0.00 0.00 61.69 62.69 2kcq s THR 106 Cb -0.11 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.78 2kcq s THR 106 CO 0.12 0.38 0.15 -0.31 -0.69 0.00 0.00 174.62 174.28 2kcq s TYR 107 N 0.50 3.22 -0.24 4.92 1.51 0.56 -0.52 117.35 127.31 2kcq s TYR 107 Ca 0.17 -1.04 -0.11 0.00 -1.01 0.00 0.00 57.07 55.07 2kcq s TYR 107 Cb -0.13 -2.36 -0.05 0.00 -0.11 0.00 0.00 41.96 39.31 2kcq s TYR 107 CO 0.04 -0.64 0.20 0.08 -1.11 0.00 0.00 175.55 174.13 2kcq s VAL 108 N 1.51 5.33 -0.16 0.71 1.01 0.06 0.12 120.40 128.98 2kcq s VAL 108 Ca 0.01 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.28 2kcq s VAL 108 Cb -0.19 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2kcq s VAL 108 CO 0.05 0.32 -0.20 -0.63 0.00 0.00 0.00 175.10 174.64 2kcq s ILE 109 N 1.15 2.03 -0.15 2.22 1.01 0.84 -0.24 121.20 128.07 2kcq s ILE 109 Ca 0.09 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.75 2kcq s ILE 109 Cb -0.14 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 2kcq s ILE 109 CO 0.05 0.54 0.06 0.54 0.00 0.00 0.00 174.94 176.14 2kcq s VAL 110 N 1.14 4.83 -0.53 2.92 0.11 -0.93 -0.99 120.40 126.95 2kcq s VAL 110 Ca 0.01 -0.03 -0.25 0.00 -2.93 0.00 0.00 61.98 58.78 2kcq s VAL 110 Cb -0.14 -3.13 0.04 0.00 -1.53 0.00 0.00 36.38 31.62 2kcq s VAL 110 CO -0.09 0.53 0.94 -0.44 -3.33 0.00 0.00 175.10 172.71 2kcq s SER 111 N -0.22 6.38 -0.26 3.54 0.01 0.58 -1.64 113.70 122.08 2kcq s SER 111 Ca 0.08 -0.22 -0.03 0.00 1.31 0.00 0.00 55.95 57.09 2kcq s SER 111 Cb -0.12 -2.44 0.02 0.00 0.21 0.00 0.00 66.02 63.69 2kcq s SER 111 CO 0.01 -1.19 -0.02 -0.69 0.41 0.00 0.00 173.24 171.76 2kcq s VAL 112 N 3.93 3.16 -0.84 3.43 1.01 -0.01 -0.80 120.40 130.28 2kcq s VAL 112 Ca 0.32 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 2kcq s VAL 112 Cb -0.12 -2.62 0.21 0.00 0.00 0.00 0.00 36.38 33.85 2kcq s VAL 112 CO 0.21 0.15 0.81 -0.60 0.00 0.00 0.00 175.10 175.67 2kcq s ARG 113 N 1.36 3.61 -1.52 2.72 3.52 0.11 -3.07 118.95 125.69 2kcq s ARG 113 Ca 0.00 -2.39 0.00 0.00 -0.13 0.00 0.00 55.73 53.22 2kcq s ARG 113 Cb -0.17 -4.49 0.00 0.00 -1.56 0.00 0.00 34.95 28.73 2kcq s ARG 113 CO -0.02 -1.35 0.00 -3.47 -0.81 0.00 0.00 175.30 169.65 2kcq n ASP 114 N 4.27 -4.98 0.00 -2.12 2.03 -1.26 -0.82 116.55 113.67 2kcq n ASP 114 Ca 0.15 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.58 2kcq n ASP 114 Cb 0.47 -4.21 0.00 0.00 -0.72 0.00 0.00 41.12 36.66 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 -0.84 1.05 3.23 0.27 0.00 -1.26 -5.07 105.19 102.57 2kcq n GLY 115 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 3.36 -0.44 4.61 0.00 -0.00 -4.76 121.76 122.53 2kcq s ALA 116 Ca 0.00 -2.41 -0.29 0.00 0.00 0.00 0.00 51.96 49.26 2kcq s ALA 116 Cb 0.00 -2.77 0.02 0.00 0.00 0.00 0.00 23.12 20.37 2kcq s ALA 116 CO 0.00 -1.82 1.30 -2.14 0.00 0.00 0.00 175.76 173.10 2kcq s PRO 117 N 1.38 3.64 -0.02 0.00 0.02 -1.26 0.07 135.00 138.83 2kcq s PRO 117 Ca 0.05 0.79 -0.02 0.00 0.02 0.00 0.00 61.00 61.85 2kcq s PRO 117 Cb -0.25 -3.98 -0.01 0.00 0.02 0.00 0.00 34.50 30.29 2kcq s PRO 117 CO 0.00 -1.49 -0.03 -1.91 -0.33 0.00 0.00 177.00 173.24 2kcq n GLU 118 N 7.98 0.07 -4.86 5.54 2.13 0.02 -4.99 120.64 126.53 2kcq n GLU 118 Ca 0.15 0.22 -0.32 0.00 0.66 0.00 0.00 57.16 57.87 2kcq n GLU 118 Cb 0.48 -0.81 -0.13 0.00 0.27 0.00 0.00 31.44 31.25 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 2.57 -0.19 4.31 0.00 -1.25 -4.99 121.76 119.24 2kcq s ALA 119 Ca -0.03 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 2kcq s ALA 119 Cb 0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.30 2kcq s ALA 119 CO 0.04 0.56 -0.10 -0.51 0.00 0.00 0.00 175.76 175.75 2kcq s LEU 120 N -1.01 2.67 -0.06 0.00 1.02 -1.26 -0.31 118.68 119.74 2kcq s LEU 120 Ca 0.13 -0.43 0.06 0.00 0.02 0.00 0.00 54.13 53.90 2kcq s LEU 120 Cb -0.10 -1.65 -0.01 0.00 0.02 0.00 0.00 46.19 44.45 2kcq s LEU 120 CO 0.02 0.03 -0.24 0.42 0.02 0.00 0.00 176.35 176.60 2kcq s THR 121 N 1.15 2.12 -0.08 5.49 -4.23 -0.16 -4.86 115.64 115.05 2kcq s THR 121 Ca 0.01 -1.05 -0.00 0.00 -1.18 0.00 0.00 61.69 59.47 2kcq s THR 121 Cb -0.14 -1.77 -0.03 0.00 1.34 0.00 0.00 72.50 71.90 2kcq s THR 121 CO -0.03 0.57 -0.05 0.00 -0.54 0.00 0.00 174.62 174.56 2kcq s ALA 122 N -0.19 3.02 -0.01 3.99 0.00 -1.19 -0.11 121.76 127.27 2kcq s ALA 122 Ca -0.03 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.10 2kcq s ALA 122 Cb -0.14 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 2kcq s ALA 122 CO 0.03 0.52 -0.11 -1.58 0.00 0.00 0.00 175.76 174.63 2kcq s TRP 123 N -0.64 1.02 -0.15 0.00 0.52 0.12 -1.48 118.94 118.32 2kcq s TRP 123 Ca 0.10 -0.21 -0.06 0.00 0.02 0.00 0.00 56.10 55.95 2kcq s TRP 123 Cb -0.12 -0.67 -0.04 0.00 -1.15 0.00 0.00 33.47 31.50 2kcq s TRP 123 CO 0.02 -0.04 0.05 0.00 0.02 0.00 0.00 176.95 177.00 2kcq s ALA 124 N -0.18 3.41 0.04 0.98 0.00 0.22 -0.32 121.76 125.91 2kcq s ALA 124 Ca 0.03 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 2kcq s ALA 124 Cb -0.05 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 2kcq s ALA 124 CO -0.00 0.31 0.95 -1.17 0.00 0.00 0.00 175.76 175.85 2kcq s LEU 125 N -0.03 4.42 0.43 0.00 2.96 -1.26 0.04 118.68 125.24 2kcq s LEU 125 Ca 0.06 1.68 -0.25 0.00 -0.22 0.00 0.00 54.13 55.40 2kcq s LEU 125 Cb -0.12 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.94 2kcq s LEU 125 CO 0.01 -0.17 1.30 0.00 -1.32 0.00 0.00 176.35 176.18 2kcq s ALA 126 N 0.57 3.19 0.31 5.97 0.00 -0.38 -4.74 121.76 126.68 2kcq s ALA 126 Ca 0.49 1.23 0.06 0.00 0.00 0.00 0.00 51.96 53.73 2kcq s ALA 126 Cb -0.22 -3.49 0.71 0.00 0.00 0.00 0.00 23.12 20.13 2kcq s ALA 126 CO 0.28 -0.88 1.80 -1.35 0.00 0.00 0.00 175.76 175.61 2kcq h PRO 127 N 2.49 0.78 -0.46 0.00 0.11 -1.95 0.19 132.00 133.15 2kcq h PRO 127 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2kcq h PRO 127 Cb 1.25 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2kcq h PRO 127 CO 0.62 0.52 0.00 -0.25 -0.21 0.00 0.00 178.00 178.67 2kcq n ASP 128 N -4.70 2.47 -1.91 -2.05 8.00 -1.26 -4.88 116.55 112.22 2kcq n ASP 128 Ca 0.22 -2.02 -0.20 0.00 0.71 0.00 0.00 54.79 53.50 2kcq n ASP 128 Cb 0.52 -0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 41.25 2kcq n ASP 128 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kcq n ARG 129 N 0.81 -1.51 -0.21 -1.24 1.74 0.65 -4.87 116.66 112.04 2kcq n ARG 129 Ca 0.15 1.12 -0.04 0.00 -0.77 0.00 0.00 57.85 58.31 2kcq n ARG 129 Cb 0.39 -5.61 0.14 0.00 -1.02 0.00 0.00 32.46 26.37 2kcq n ARG 129 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2kcq h SER 130 N 0.00 0.93 -1.52 0.55 0.02 -1.90 -3.48 113.55 108.15 2kcq h SER 130 Ca -0.45 -0.15 0.13 0.00 -0.84 0.00 0.00 61.79 60.48 2kcq h SER 130 Cb 1.34 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 2kcq h SER 130 CO 0.60 0.85 0.40 -1.84 -1.14 0.00 0.00 176.83 175.69 2kcq n GLU 131 N -4.28 0.26 -4.12 3.45 0.28 -1.26 -5.05 120.64 109.92 2kcq n GLU 131 Ca 0.06 -0.68 -0.25 0.00 -0.16 0.00 0.00 57.16 56.13 2kcq n GLU 131 Cb 0.20 0.97 -0.05 0.00 1.43 0.00 0.00 31.44 33.98 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 -3.31 3.08 -0.04 -1.84 0.08 -1.26 -1.25 117.98 113.43 2kcq s PHE 132 Ca 0.14 -0.07 0.07 0.00 0.12 0.00 0.00 56.93 57.19 2kcq s PHE 132 Cb -0.01 -1.45 -0.01 0.00 -0.57 0.00 0.00 43.02 40.98 2kcq s PHE 132 CO 0.02 0.52 -0.24 -1.01 -0.10 0.00 0.00 175.22 174.41 2kcq s HIS 133 N -1.89 2.26 0.11 0.36 3.76 0.11 -4.91 115.29 115.09 2kcq s HIS 133 Ca 0.31 -0.57 -0.28 0.00 -0.15 0.00 0.00 55.06 54.37 2kcq s HIS 133 Cb -0.09 -1.48 -0.06 0.00 1.11 0.00 0.00 32.58 32.06 2kcq s HIS 133 CO 0.23 -0.14 0.88 0.50 -0.85 0.00 0.00 174.74 175.36 2kcq s ARG 134 N -0.32 4.64 0.05 1.40 6.06 -1.26 -0.61 118.95 128.91 2kcq s ARG 134 Ca 0.02 1.30 -0.09 0.00 -2.50 0.00 0.00 55.73 54.46 2kcq s ARG 134 Cb -0.12 -3.35 0.00 0.00 0.06 0.00 0.00 34.95 31.55 2kcq s ARG 134 CO 0.02 0.32 0.20 -2.00 -2.50 0.00 0.00 175.30 171.33 2kcq s GLU 135 N -0.30 0.73 0.44 5.12 2.12 -0.55 -4.93 118.70 121.32 2kcq s GLU 135 Ca 0.42 -0.70 0.08 0.00 0.36 0.00 0.00 54.97 55.12 2kcq s GLU 135 Cb -0.23 0.30 -0.01 0.00 0.26 0.00 0.00 34.13 34.45 2kcq s GLU 135 CO 0.28 -0.22 0.40 -0.51 -0.54 0.00 0.00 175.26 174.67 2kcq s ASP 136 N -2.26 5.01 -0.25 -1.70 1.01 -1.26 -3.14 116.67 114.08 2kcq s ASP 136 Ca -0.03 -0.81 -0.26 0.00 0.71 0.00 0.00 52.55 52.17 2kcq s ASP 136 Cb 0.00 -0.41 -0.00 0.00 1.01 0.00 0.00 42.92 43.52 2kcq s ASP 136 CO -0.05 -0.74 0.88 -0.63 0.21 0.00 0.00 175.17 174.83 2kcq s ILE 137 N -2.52 4.79 0.00 0.77 -1.09 -1.26 -4.93 121.20 116.97 2kcq s ILE 137 Ca 0.47 1.64 0.02 0.00 -2.23 0.00 0.00 60.65 60.56 2kcq s ILE 137 Cb -0.03 -4.17 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 2kcq s ILE 137 CO 0.28 -0.12 -0.03 0.68 -1.23 0.00 0.00 174.94 174.51 2kcq s VAL 138 N 2.95 3.89 0.36 2.92 -7.23 -1.25 -5.03 120.40 117.00 2kcq s VAL 138 Ca 0.37 -0.71 -0.04 0.00 -1.81 0.00 0.00 61.98 59.79 2kcq s VAL 138 Cb -0.15 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 2kcq s VAL 138 CO 0.08 0.37 0.62 -0.13 -0.31 0.00 0.00 175.10 175.73 2kcq s ARG 139 N -1.51 3.59 -0.99 4.82 0.52 -1.25 -1.51 118.95 122.61 2kcq s ARG 139 Ca 0.18 -0.00 -0.24 0.00 -0.52 0.00 0.00 55.73 55.15 2kcq s ARG 139 Cb -0.11 -2.57 -0.09 0.00 0.52 0.00 0.00 34.95 32.69 2kcq s ARG 139 CO 0.09 0.08 2.04 -1.25 0.02 0.00 0.00 175.30 176.28 2kcq s PRO 140 N -4.03 2.22 -0.43 3.54 0.04 -1.26 -4.78 135.00 130.29 2kcq s PRO 140 Ca 0.44 -0.44 0.04 0.00 0.04 0.00 0.00 61.00 61.09 2kcq s PRO 140 Cb -0.10 -5.06 0.17 0.00 0.04 0.00 0.00 34.50 29.55 2kcq s PRO 140 CO 0.35 -3.98 0.36 -0.25 0.04 0.00 0.00 177.00 173.51 2kcq n ASP 141 N 15.54 -0.19 -1.61 6.66 9.92 -1.26 -5.00 116.55 140.61 2kcq n ASP 141 Ca 0.43 -2.45 -0.05 0.00 -0.53 0.00 0.00 54.79 52.19 2kcq n ASP 141 Cb 0.46 -0.57 0.01 0.00 -0.64 0.00 0.00 41.12 40.38 2kcq n ASP 141 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2kcq n PRO 142 N 2.74 1.25 -0.00 -0.24 -0.05 -1.26 -3.79 135.00 133.64 2kcq n PRO 142 Ca 0.29 -0.48 0.06 0.00 -0.05 0.00 0.00 63.50 63.32 2kcq n PRO 142 Cb 0.47 -1.19 -0.07 0.00 -0.05 0.00 0.00 33.50 32.66 2kcq n PRO 142 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 2kcq n GLU 143 N 1.12 3.03 -2.63 0.54 1.02 -1.26 -4.97 120.64 117.49 2kcq n GLU 143 Ca 0.09 -0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.83 2kcq n GLU 143 Cb 0.53 -1.06 -0.05 0.00 -0.02 0.00 0.00 31.44 30.83 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 -2.13 3.36 0.63 0.62 0.00 -1.25 -5.01 121.76 117.98 2kcq s ALA 144 Ca 0.04 0.74 -0.18 0.00 0.00 0.00 0.00 51.96 52.56 2kcq s ALA 144 Cb 0.09 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 2kcq s ALA 144 CO 0.49 0.05 1.18 -2.30 0.00 0.00 0.00 175.76 175.18 2kcq n PRO 145 N 1.33 1.07 -1.86 0.00 -0.02 -1.26 -4.96 135.00 129.30 2kcq n PRO 145 Ca -0.01 0.42 -0.36 0.00 -2.02 0.00 0.00 63.50 61.52 2kcq n PRO 145 Cb 0.46 -2.41 0.05 0.00 -0.02 0.00 0.00 33.50 31.58 2kcq n PRO 145 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kcq s LEU 146 N -3.51 3.59 0.04 2.45 1.43 -1.26 -4.96 118.68 116.46 2kcq s LEU 146 Ca 0.80 2.45 -0.22 0.00 -1.03 0.00 0.00 54.13 56.12 2kcq s LEU 146 Cb -0.39 -4.60 -0.12 0.00 0.03 0.00 0.00 46.19 41.10 2kcq s LEU 146 CO 0.43 -1.80 1.34 -0.08 0.23 0.00 0.00 176.35 176.47 2kcq h GLU 147 N 0.62 -0.74 -5.72 1.70 4.81 -2.07 -3.48 114.58 109.71 2kcq h GLU 147 Ca -0.50 0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 58.65 2kcq h GLU 147 Cb 1.31 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.86 2kcq h GLU 147 CO 0.54 -0.49 -0.53 0.72 -0.73 0.00 0.00 179.01 178.52 2kcq n HIS 148 N -4.20 -2.99 -1.80 0.92 8.25 -1.26 -4.80 115.22 109.33 2kcq n HIS 148 Ca -0.09 1.19 -0.37 0.00 -0.26 0.00 0.00 57.72 58.19 2kcq n HIS 148 Cb 0.31 -3.55 -0.03 0.00 1.12 0.00 0.00 29.99 27.84 2kcq n HIS 148 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kcq s HIS 149 N -2.62 1.37 -1.19 4.41 2.46 -1.26 -4.76 115.29 113.70 2kcq s HIS 149 Ca 0.15 1.17 0.23 0.00 0.47 0.00 0.00 55.06 57.08 2kcq s HIS 149 Cb -0.03 -3.84 0.10 0.00 -0.13 0.00 0.00 32.58 28.68 2kcq s HIS 149 CO 0.80 -2.41 1.14 0.72 -2.47 0.00 0.00 174.74 172.51 2kcq n HIS 150 N 14.33 0.00 -4.02 3.88 8.25 -1.26 -4.73 115.22 131.67 2kcq n HIS 150 Ca 0.28 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.43 2kcq n HIS 150 Cb 0.53 -0.09 -0.15 0.00 1.12 0.00 0.00 29.99 31.41 2kcq n HIS 150 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kcq s HIS 151 N -2.90 3.68 0.07 4.41 3.76 -1.26 -4.91 115.29 118.14 2kcq s HIS 151 Ca 0.12 -2.87 0.13 0.00 -0.15 0.00 0.00 55.06 52.28 2kcq s HIS 151 Cb 0.17 -2.76 0.19 0.00 1.11 0.00 0.00 32.58 31.29 2kcq s HIS 151 CO 0.75 -0.94 1.50 1.25 -0.85 0.00 0.00 174.74 176.45 2kcq h HIS 152 N 7.65 0.00 -0.01 1.40 2.76 -2.02 -3.55 115.15 121.39 2kcq h HIS 152 Ca -0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 2kcq h HIS 152 Cb 1.02 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.98 2kcq h HIS 152 CO 0.49 0.62 0.00 1.58 -1.30 0.00 0.00 177.93 179.33