#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 3.66 0.26 2.12 3.01 -0.34 -1.88 119.74 126.57 2kcq s LYS 2 Ca 0.00 -0.51 -0.18 0.00 -1.01 0.00 0.00 55.97 54.27 2kcq s LYS 2 Cb 0.00 -3.06 0.01 0.00 -1.01 0.00 0.00 37.83 33.77 2kcq s LYS 2 CO 0.00 0.08 0.63 -0.08 0.51 0.00 0.00 175.35 176.49 2kcq s THR 3 N 0.83 0.00 0.12 2.17 -1.32 -0.15 -1.46 115.64 115.83 2kcq s THR 3 Ca 0.01 -1.09 0.03 0.00 -1.21 0.00 0.00 61.69 59.42 2kcq s THR 3 Cb -0.14 -2.02 -0.04 0.00 -1.51 0.00 0.00 72.50 68.79 2kcq s THR 3 CO 0.02 -0.01 0.15 0.42 -2.21 0.00 0.00 174.62 172.99 2kcq s THR 4 N -3.94 4.75 0.53 5.08 -4.23 -1.26 -3.91 115.64 112.66 2kcq s THR 4 Ca 0.14 -0.82 0.20 0.00 -1.18 0.00 0.00 61.69 60.04 2kcq s THR 4 Cb -0.04 -3.37 0.29 0.00 1.34 0.00 0.00 72.50 70.72 2kcq s THR 4 CO 0.07 0.01 2.17 1.55 -0.54 0.00 0.00 174.62 177.88 2kcq h PRO 5 N 2.77 0.00 -0.05 3.99 0.13 -1.99 -2.01 132.00 134.84 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 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kcq h PRO 5 CO 0.67 0.02 0.03 0.22 -0.23 0.00 0.00 178.00 178.70 2kcq h ASP 6 N 0.00 0.07 -0.55 1.44 3.58 -1.99 0.15 116.42 119.11 2kcq h ASP 6 Ca -0.00 -0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.34 2kcq h ASP 6 Cb 0.03 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 2kcq h ASP 6 CO 0.00 0.12 0.20 0.40 -2.88 0.00 0.00 179.24 177.08 2kcq h ILE 7 N 0.01 1.23 -0.55 2.25 1.08 -1.85 -1.96 117.51 117.71 2kcq h ILE 7 Ca 0.02 -0.75 0.03 0.00 -0.39 0.00 0.00 64.86 63.77 2kcq h ILE 7 Cb 0.07 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 34.46 2kcq h ILE 7 CO -0.00 0.28 0.32 -0.07 -0.69 0.00 0.00 178.15 177.99 2kcq h LEU 8 N 0.76 0.51 -0.68 1.44 3.38 -1.16 -0.39 115.31 119.17 2kcq h LEU 8 Ca 0.18 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 2kcq h LEU 8 Cb 0.24 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2kcq h LEU 8 CO -0.01 0.35 -0.06 -0.78 0.09 0.00 0.00 178.44 178.03 2kcq h ASP 9 N 0.63 0.94 -0.76 -0.43 3.58 -0.79 -1.85 116.42 117.74 2kcq h ASP 9 Ca 0.23 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2kcq h ASP 9 Cb 0.05 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.81 2kcq h ASP 9 CO -0.11 1.03 0.48 1.56 -2.88 0.00 0.00 179.24 179.32 2kcq h GLN 10 N 0.86 1.02 -0.07 0.28 4.20 -0.83 -2.37 115.11 118.21 2kcq h GLN 10 Ca 0.15 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2kcq h GLN 10 Cb 0.60 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 2kcq h GLN 10 CO 0.04 0.70 0.02 0.82 -0.67 0.00 0.00 178.83 179.74 2kcq h ILE 11 N 1.05 1.16 -0.23 2.54 2.04 -0.39 -2.69 117.51 120.98 2kcq h ILE 11 Ca 0.28 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 2kcq h ILE 11 Cb -0.08 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2kcq h ILE 11 CO -0.06 0.14 0.03 0.08 0.00 0.00 0.00 178.15 178.34 2kcq h ARG 12 N -0.07 0.33 -0.21 2.37 0.11 -1.15 -1.12 114.38 114.63 2kcq h ARG 12 Ca 0.02 -0.05 -0.10 0.00 0.10 0.00 0.00 59.98 59.95 2kcq h ARG 12 Cb 0.20 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 2kcq h ARG 12 CO -0.00 0.34 -0.30 0.28 0.10 0.00 0.00 179.97 180.39 2kcq h VAL 13 N 0.33 1.28 0.00 0.08 2.07 -1.32 -2.88 116.25 115.80 2kcq h VAL 13 Ca 0.08 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 2kcq h VAL 13 Cb 0.18 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2kcq h VAL 13 CO 0.00 0.42 -0.15 0.45 0.02 0.00 0.00 177.57 178.31 2kcq h HIS 14 N 0.37 0.00 -0.26 1.57 3.86 -0.86 0.95 115.15 120.77 2kcq h HIS 14 Ca 0.05 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 2kcq h HIS 14 Cb 0.72 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 2kcq h HIS 14 CO 0.02 0.15 0.02 0.78 0.86 0.00 0.00 177.93 179.76 2kcq h GLY 15 N 0.53 0.49 1.95 2.45 0.00 -1.44 -2.64 103.07 104.40 2kcq h GLY 15 Ca -0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 2kcq h GLY 15 CO 0.02 0.32 -0.71 0.00 0.00 0.00 0.00 176.54 176.17 2kcq h ALA 16 N 0.84 0.81 -0.89 3.60 0.00 -1.50 -2.26 119.26 119.87 2kcq h ALA 16 Ca 0.08 -0.63 0.04 0.00 0.00 0.00 0.00 54.91 54.39 2kcq h ALA 16 Cb 0.38 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2kcq h ALA 16 CO 0.01 0.86 0.58 0.22 0.00 0.00 0.00 179.25 180.92 2kcq h ASP 17 N 0.03 0.94 0.00 0.00 3.58 -0.67 -3.02 116.42 117.28 2kcq h ASP 17 Ca -0.01 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 2kcq h ASP 17 Cb 1.25 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 2kcq h ASP 17 CO 0.10 0.64 -0.02 0.00 -2.88 0.00 0.00 179.24 177.08 2kcq n ALA 18 N -2.40 2.27 -1.52 -0.78 0.00 -1.01 -5.04 120.51 112.02 2kcq n ALA 18 Ca 0.12 -2.60 -0.58 0.00 0.00 0.00 0.00 53.44 50.38 2kcq n ALA 18 Cb 0.12 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 19.11 2kcq n ALA 18 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2kcq n TYR 19 N -1.41 0.86 0.20 0.00 4.19 -0.85 0.53 117.16 120.68 2kcq n TYR 19 Ca 0.16 0.97 0.10 0.00 3.31 0.00 0.00 57.90 62.43 2kcq n TYR 19 Cb 0.64 -2.15 0.14 0.00 0.49 0.00 0.00 39.34 38.46 2kcq n TYR 19 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2kcq h PRO 20 N 3.39 0.00 0.00 2.98 0.13 -1.94 -3.47 132.00 133.09 2kcq h PRO 20 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kcq h PRO 20 Cb 1.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2kcq h PRO 20 CO 0.68 0.12 0.00 -0.85 -0.23 0.00 0.00 178.00 177.73 2kcq n GLU 21 N -3.13 0.00 -0.01 0.86 0.28 0.19 -4.69 120.64 114.14 2kcq n GLU 21 Ca 0.03 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.04 2kcq n GLU 21 Cb 0.58 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.46 2kcq n GLU 21 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2kcq n GLU 22 N -0.04 0.07 0.00 3.44 2.13 -1.14 -5.03 120.64 120.07 2kcq n GLU 22 Ca 0.00 -0.82 0.00 0.00 0.66 0.00 0.00 57.16 57.00 2kcq n GLU 22 Cb 0.00 -1.03 0.00 0.00 0.27 0.00 0.00 31.44 30.68 2kcq n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kcq n GLY 23 N -0.00 4.18 0.00 8.31 0.00 -1.26 -2.36 105.19 114.06 2kcq n GLY 23 Ca 0.01 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2kcq n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcq s GLY 25 N -1.59 0.51 0.06 0.00 0.00 -1.05 0.46 107.32 105.71 2kcq s GLY 25 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.76 2kcq s GLY 25 CO 0.00 -1.08 0.02 -1.36 0.00 0.00 0.00 173.10 170.68 2kcq s PHE 26 N -2.60 3.06 -0.35 1.90 0.08 0.79 -0.42 117.98 120.44 2kcq s PHE 26 Ca -0.01 0.03 -0.18 0.00 0.12 0.00 0.00 56.93 56.89 2kcq s PHE 26 Cb -0.02 -1.60 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 2kcq s PHE 26 CO -0.04 0.48 0.50 -0.51 -0.10 0.00 0.00 175.22 175.55 2kcq s LEU 27 N -2.07 4.34 -0.16 -0.37 1.43 0.11 -2.16 118.68 119.80 2kcq s LEU 27 Ca 0.24 -0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2kcq s LEU 27 Cb -0.12 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 2kcq s LEU 27 CO 0.16 -0.46 0.06 -0.76 0.23 0.00 0.00 176.35 175.59 2kcq s LEU 28 N 2.35 3.85 0.00 1.79 1.43 0.08 -0.64 118.68 127.54 2kcq s LEU 28 Ca 0.18 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2kcq s LEU 28 Cb -0.16 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.11 2kcq s LEU 28 CO 0.13 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.55 2kcq n GLY 29 N 3.14 -0.76 3.13 -3.19 0.00 0.16 -0.29 105.19 107.38 2kcq n GLY 29 Ca -0.17 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.89 0.56 -0.18 2.61 -4.23 -0.93 -0.36 115.64 109.22 2kcq s THR 30 Ca 0.00 -1.77 -0.20 0.00 -1.18 0.00 0.00 61.69 58.54 2kcq s THR 30 Cb 0.00 -1.47 -0.03 0.00 1.34 0.00 0.00 72.50 72.34 2kcq s THR 30 CO 0.00 -0.83 0.61 -0.69 -0.54 0.00 0.00 174.62 173.17 2kcq s VAL 31 N -3.33 5.05 0.88 2.29 1.01 -1.26 -1.61 120.40 123.43 2kcq s VAL 31 Ca 0.07 1.15 -0.11 0.00 0.00 0.00 0.00 61.98 63.09 2kcq s VAL 31 Cb 0.03 -3.93 0.12 0.00 0.00 0.00 0.00 36.38 32.61 2kcq s VAL 31 CO -0.05 0.15 1.09 0.42 0.00 0.00 0.00 175.10 176.71 2kcq s THR 32 N 1.71 2.71 0.45 3.92 -4.23 0.35 -4.88 115.64 115.66 2kcq s THR 32 Ca 0.28 0.23 0.38 0.00 -1.18 0.00 0.00 61.69 61.40 2kcq s THR 32 Cb -0.16 -2.74 0.40 0.00 1.34 0.00 0.00 72.50 71.34 2kcq s THR 32 CO 0.11 -0.30 2.20 0.44 -0.54 0.00 0.00 174.62 176.53 2kcq h ASP 33 N -1.49 0.00 0.20 3.99 5.19 -1.97 -0.70 116.42 121.65 2kcq h ASP 33 Ca -0.49 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 55.77 2kcq h ASP 33 Cb 1.28 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.78 2kcq h ASP 33 CO 0.55 0.02 -0.56 -0.78 -3.12 0.00 0.00 179.24 175.35 2kcq h ASP 34 N 0.00 0.42 0.00 6.45 3.58 -2.03 -3.47 116.42 121.37 2kcq h ASP 34 Ca -0.00 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2kcq h ASP 34 Cb 0.22 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2kcq h ASP 34 CO 0.00 0.90 0.00 0.61 -2.88 0.00 0.00 179.24 177.87 2kcq n GLY 35 N 0.22 1.02 3.88 -0.78 0.00 -0.27 -5.11 105.19 104.16 2kcq n GLY 35 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.11 6.55 -0.16 1.61 2.15 -1.26 -4.77 116.67 119.68 2kcq s ASP 36 Ca 0.00 1.02 -0.16 0.00 0.43 0.00 0.00 52.55 53.85 2kcq s ASP 36 Cb 0.00 -2.27 -0.04 0.00 -0.30 0.00 0.00 42.92 40.30 2kcq s ASP 36 CO 0.00 -0.28 0.38 0.20 -0.17 0.00 0.00 175.17 175.29 2kcq s ASN 37 N -2.94 6.51 0.01 -0.34 0.01 -1.26 -0.50 114.94 116.42 2kcq s ASN 37 Ca 0.49 0.60 0.05 0.00 -0.71 0.00 0.00 52.86 53.30 2kcq s ASN 37 Cb -0.10 -2.23 -0.03 0.00 0.41 0.00 0.00 41.25 39.30 2kcq s ASN 37 CO 0.28 0.02 -0.15 0.00 -1.51 0.00 0.00 177.10 175.73 2kcq s ARG 38 N 0.75 2.29 -0.22 -0.60 1.70 -0.63 -1.19 118.95 121.05 2kcq s ARG 38 Ca 0.20 -0.85 -0.05 0.00 -0.47 0.00 0.00 55.73 54.57 2kcq s ARG 38 Cb -0.14 -2.29 -0.02 0.00 -0.57 0.00 0.00 34.95 31.93 2kcq s ARG 38 CO 0.07 0.58 -0.02 0.08 -1.08 0.00 0.00 175.30 174.93 2kcq s VAL 39 N -0.87 3.66 -0.03 4.99 1.01 -0.54 -2.18 120.40 126.45 2kcq s VAL 39 Ca 0.14 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.77 2kcq s VAL 39 Cb -0.11 -2.66 -0.08 0.00 0.00 0.00 0.00 36.38 33.53 2kcq s VAL 39 CO 0.04 0.42 0.13 0.00 0.00 0.00 0.00 175.10 175.68 2kcq n ALA 40 N 4.62 2.24 -2.82 5.51 0.00 0.60 -4.68 120.51 125.97 2kcq n ALA 40 Ca -0.18 -0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.04 2kcq n ALA 40 Cb 0.51 -0.19 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 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 -2.31 -0.02 0.02 0.00 0.00 0.50 -5.00 121.76 114.95 2kcq s ALA 41 Ca -0.02 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.07 2kcq s ALA 41 Cb 0.04 0.96 -0.02 0.00 0.00 0.00 0.00 23.12 24.10 2kcq s ALA 41 CO 0.22 -0.70 -0.11 -0.51 0.00 0.00 0.00 175.76 174.66 2kcq s LEU 42 N -2.99 2.11 -0.03 0.00 1.43 -1.26 -0.74 118.68 117.20 2kcq s LEU 42 Ca 0.20 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2kcq s LEU 42 Cb 0.02 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.74 2kcq s LEU 42 CO 0.03 0.04 -0.11 -2.28 0.23 0.00 0.00 176.35 174.27 2kcq s HIS 43 N -0.62 1.12 0.04 0.29 2.46 -0.92 -4.95 115.29 112.71 2kcq s HIS 43 Ca 0.01 -0.30 -0.23 0.00 0.47 0.00 0.00 55.06 55.02 2kcq s HIS 43 Cb -0.06 -0.79 -0.06 0.00 -0.13 0.00 0.00 32.58 31.54 2kcq s HIS 43 CO 0.00 -0.12 0.68 0.50 -2.47 0.00 0.00 174.74 173.33 2kcq s ARG 44 N 0.20 4.40 -1.03 2.88 3.52 -1.26 -0.15 118.95 127.50 2kcq s ARG 44 Ca -0.04 0.90 -0.15 0.00 -0.13 0.00 0.00 55.73 56.31 2kcq s ARG 44 Cb -0.10 -3.33 0.17 0.00 -1.56 0.00 0.00 34.95 30.14 2kcq s ARG 44 CO 0.01 0.39 1.19 0.00 -0.81 0.00 0.00 175.30 176.07 2kcq s ALA 45 N -0.34 3.83 -0.16 6.12 0.00 0.17 -4.72 121.76 126.65 2kcq s ALA 45 Ca 0.34 -3.16 -0.25 0.00 0.00 0.00 0.00 51.96 48.89 2kcq s ALA 45 Cb -0.20 -3.96 -0.02 0.00 0.00 0.00 0.00 23.12 18.95 2kcq s ALA 45 CO 0.21 -2.74 0.80 0.99 0.00 0.00 0.00 175.76 175.02 2kcq s THR 46 N 1.55 4.91 0.00 0.00 2.01 -0.25 -3.63 115.64 120.23 2kcq s THR 46 Ca 0.34 1.58 0.00 0.00 0.31 0.00 0.00 61.69 63.92 2kcq s THR 46 Cb -0.05 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.34 2kcq s THR 46 CO -0.06 0.06 0.00 -3.20 -0.69 0.00 0.00 174.62 170.73 2kcq n ASN 47 N 5.04 0.00 -4.19 3.53 2.85 -1.00 -3.52 115.26 117.97 2kcq n ASN 47 Ca 0.03 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.10 2kcq n ASN 47 Cb 0.49 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.44 2kcq n ASN 47 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2kcq s ARG 48 N 0.00 2.75 -0.08 1.20 3.00 -1.26 -4.89 118.95 119.67 2kcq s ARG 48 Ca 0.00 -2.25 -0.04 0.00 0.00 0.00 0.00 55.73 53.44 2kcq s ARG 48 Cb 0.00 -3.94 -0.27 0.00 0.00 0.00 0.00 34.95 30.74 2kcq s ARG 48 CO 0.00 -1.20 0.51 -0.09 0.00 0.00 0.00 175.30 174.52 2kcq h ARG 49 N 7.69 0.24 0.00 3.54 2.43 -1.86 -3.42 114.38 122.99 2kcq h ARG 49 Ca -0.05 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2kcq h ARG 49 Cb 1.01 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2kcq h ARG 49 CO 0.77 1.11 -0.43 0.45 -1.51 0.00 0.00 179.97 180.36 2kcq n SER 50 N -3.43 0.17 0.00 -3.80 2.88 -1.26 -4.79 113.62 103.38 2kcq n SER 50 Ca -0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 2kcq n SER 50 Cb 1.05 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.51 2kcq n SER 50 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2kcq n GLU 51 N -2.64 0.00 0.00 -1.46 4.07 -1.26 -4.79 120.64 114.56 2kcq n GLU 51 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2kcq n GLU 51 Cb 0.21 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.59 2kcq n GLU 51 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2kcq n GLN 52 N 0.00 0.00 0.00 5.31 0.00 -1.26 -4.68 117.38 116.75 2kcq n GLN 52 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2kcq n GLN 52 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 30.24 29.81 2kcq n GLN 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2kcq n ARG 53 N 0.00 0.00 -3.75 3.69 5.12 -1.26 -4.70 116.66 115.76 2kcq n ARG 53 Ca 0.00 0.43 -0.37 0.00 -1.93 0.00 0.00 57.85 55.98 2kcq n ARG 53 Cb 0.00 -1.31 -0.13 0.00 -1.16 0.00 0.00 32.46 29.87 2kcq n ARG 53 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2kcq s THR 54 N -2.26 4.26 -0.18 0.55 -1.32 -1.26 -5.06 115.64 110.37 2kcq s THR 54 Ca 0.00 -0.27 -0.01 0.00 -1.21 0.00 0.00 61.69 60.20 2kcq s THR 54 Cb 0.00 -3.03 0.05 0.00 -1.51 0.00 0.00 72.50 68.01 2kcq s THR 54 CO 0.00 0.29 -0.00 -0.13 -2.21 0.00 0.00 174.62 172.56 2kcq s ARG 55 N 1.60 1.01 -0.09 7.08 0.52 -1.26 -5.01 118.95 122.80 2kcq s ARG 55 Ca 0.06 -0.50 0.17 0.00 -0.52 0.00 0.00 55.73 54.94 2kcq s ARG 55 Cb -0.15 -2.07 0.37 0.00 0.52 0.00 0.00 34.95 33.61 2kcq s ARG 55 CO 0.03 -0.55 1.17 -2.13 0.02 0.00 0.00 175.30 173.84 2kcq n ARG 56 N 4.95 0.70 0.00 3.54 0.63 -1.26 -5.00 116.66 120.22 2kcq n ARG 56 Ca -0.10 -2.43 0.00 0.00 -0.92 0.00 0.00 57.85 54.40 2kcq n ARG 56 Cb 0.47 -0.78 0.00 0.00 0.45 0.00 0.00 32.46 32.60 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 -0.32 0.00 -0.95 -0.14 9.36 -1.26 -4.92 117.16 118.93 2kcq n TYR 57 Ca 0.11 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 61.03 2kcq n TYR 57 Cb 0.89 0.00 0.15 0.00 -0.63 0.00 0.00 39.34 39.74 2kcq n TYR 57 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 2kcq s GLU 58 N 0.00 1.26 -0.65 2.98 0.41 -1.26 -4.88 118.70 116.56 2kcq s GLU 58 Ca 0.00 1.23 -0.26 0.00 -0.41 0.00 0.00 54.97 55.53 2kcq s GLU 58 Cb 0.00 -1.78 -0.02 0.00 -1.78 0.00 0.00 34.13 30.55 2kcq s GLU 58 CO 0.00 -2.36 1.81 -0.51 -0.49 0.00 0.00 175.26 173.71 2kcq s LEU 59 N -6.38 3.27 -0.82 1.80 1.02 -1.26 -4.92 118.68 111.38 2kcq s LEU 59 Ca 0.65 0.18 -0.22 0.00 0.02 0.00 0.00 54.13 54.75 2kcq s LEU 59 Cb -0.20 -2.53 0.08 0.00 0.02 0.00 0.00 46.19 43.55 2kcq s LEU 59 CO 0.58 -2.35 1.16 0.42 0.02 0.00 0.00 176.35 176.18 2kcq s THR 60 N 8.82 4.26 0.00 5.49 -4.23 -1.26 -4.88 115.64 123.84 2kcq s THR 60 Ca 0.64 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 2kcq s THR 60 Cb -0.12 -4.83 0.00 0.00 1.34 0.00 0.00 72.50 68.90 2kcq s THR 60 CO 0.18 -1.64 0.00 0.00 -0.54 0.00 0.00 174.62 172.63 2kcq n ALA 61 N 7.90 0.00 -2.70 3.99 0.00 -1.26 -3.69 120.51 124.74 2kcq n ALA 61 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 2kcq n ALA 61 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.94 2kcq n ALA 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kcq n ASP 62 N -2.36 5.62 -0.19 0.00 2.03 -1.23 -4.70 116.55 115.72 2kcq n ASP 62 Ca 0.00 -3.20 0.00 0.00 0.52 0.00 0.00 54.79 52.11 2kcq n ASP 62 Cb 0.00 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.00 2kcq n ASP 62 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2kcq n ASP 63 N 3.02 0.72 -0.34 1.67 5.75 -1.24 -1.09 116.55 125.04 2kcq n ASP 63 Ca 0.33 -0.10 0.02 0.00 -0.01 0.00 0.00 54.79 55.03 2kcq n ASP 63 Cb 0.36 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.61 2kcq n ASP 63 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2kcq h TYR 64 N 0.04 1.11 -0.68 2.11 3.20 -1.90 -1.13 116.97 119.73 2kcq h TYR 64 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2kcq h TYR 64 Cb 0.00 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 37.87 2kcq h TYR 64 CO 0.00 0.57 0.41 0.00 -1.64 0.00 0.00 178.16 177.51 2kcq h ARG 65 N 1.09 0.91 -0.24 1.82 2.47 -1.92 0.69 114.38 119.20 2kcq h ARG 65 Ca 0.41 -0.07 -0.18 0.00 -1.26 0.00 0.00 59.98 58.88 2kcq h ARG 65 Cb 0.16 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.29 2kcq h ARG 65 CO -0.17 0.63 -0.56 0.00 0.56 0.00 0.00 179.97 180.43 2kcq h ALA 66 N 1.53 0.55 -0.48 0.04 0.00 -1.65 0.12 119.26 119.38 2kcq h ALA 66 Ca 0.24 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2kcq h ALA 66 Cb -0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2kcq h ALA 66 CO -0.05 0.69 0.02 0.00 0.00 0.00 0.00 179.25 179.91 2kcq h ALA 67 N 0.80 0.64 -0.48 0.00 0.00 -0.25 -0.54 119.26 119.43 2kcq h ALA 67 Ca 0.01 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 2kcq h ALA 67 Cb 1.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2kcq h ALA 67 CO 0.12 0.42 -0.05 0.22 0.00 0.00 0.00 179.25 179.96 2kcq h ASP 68 N 0.68 0.88 0.21 0.00 3.58 0.42 0.12 116.42 122.31 2kcq h ASP 68 Ca 0.14 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 2kcq h ASP 68 Cb 0.48 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2kcq h ASP 68 CO 0.02 1.00 -0.10 0.00 -2.88 0.00 0.00 179.24 177.28 2kcq h ALA 69 N 0.91 -0.28 -0.30 -0.78 0.00 -0.87 -1.16 119.26 116.78 2kcq h ALA 69 Ca 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2kcq h ALA 69 Cb 0.58 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2kcq h ALA 69 CO 0.03 -0.64 0.05 0.00 0.00 0.00 0.00 179.25 178.69 2kcq h ALA 70 N 0.48 1.53 0.19 0.00 0.00 -0.95 -0.02 119.26 120.50 2kcq h ALA 70 Ca -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2kcq h ALA 70 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kcq h ALA 70 CO 0.05 0.35 -0.09 0.00 0.00 0.00 0.00 179.25 179.55 2kcq h ALA 71 N 1.63 -0.26 -0.12 0.00 0.00 -0.51 -2.05 119.26 117.96 2kcq h ALA 71 Ca 0.10 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2kcq h ALA 71 Cb 0.21 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2kcq h ALA 71 CO 0.00 -0.55 -0.25 -0.56 0.00 0.00 0.00 179.25 177.89 2kcq h GLN 72 N -0.46 0.21 -0.99 0.00 3.07 -0.88 0.54 115.11 116.61 2kcq h GLN 72 Ca -0.03 -0.07 0.05 0.00 0.09 0.00 0.00 58.65 58.70 2kcq h GLN 72 Cb 0.35 -0.02 -0.06 0.00 0.08 0.00 0.00 27.48 27.83 2kcq h GLN 72 CO 0.04 0.45 0.64 0.93 0.09 0.00 0.00 178.83 180.99 2kcq h GLU 73 N 0.19 1.17 -0.01 0.06 5.08 -0.89 -1.56 114.58 118.62 2kcq h GLU 73 Ca 0.03 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2kcq h GLU 73 Cb 0.55 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2kcq h GLU 73 CO 0.04 0.78 -0.09 1.04 -1.00 0.00 0.00 179.01 179.78 2kcq n GLN 74 N -4.48 1.20 -0.81 2.33 6.02 -0.56 -4.91 117.38 116.17 2kcq n GLN 74 Ca 0.14 -0.61 0.00 0.00 -0.01 0.00 0.00 57.00 56.52 2kcq n GLN 74 Cb 0.13 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.90 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 1.22 0.51 1.46 1.08 0.00 -0.34 -5.05 105.19 104.07 2kcq n GLY 75 Ca 0.17 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.06 0.99 4.77 0.18 -4.95 117.00 113.92 2kcq n LEU 76 Ca 0.00 -1.21 -0.12 0.00 -0.03 0.00 0.00 56.01 54.65 2kcq n LEU 76 Cb 0.00 0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 2kcq n LEU 76 CO 0.00 -0.25 0.11 1.51 -1.33 0.00 0.00 177.39 177.42 2kcq s ASP 77 N -2.16 0.39 -0.44 -1.43 -4.77 0.51 -3.01 116.67 105.77 2kcq s ASP 77 Ca 0.04 -1.25 -0.26 0.00 -3.30 0.00 0.00 52.55 47.79 2kcq s ASP 77 Cb -0.00 0.60 0.02 0.00 -1.09 0.00 0.00 42.92 42.45 2kcq s ASP 77 CO 0.03 -1.18 0.96 -0.69 0.70 0.00 0.00 175.17 174.99 2kcq s VAL 78 N -3.58 4.47 -2.60 2.11 1.01 -1.26 -0.66 120.40 119.89 2kcq s VAL 78 Ca 0.28 0.95 0.23 0.00 0.00 0.00 0.00 61.98 63.44 2kcq s VAL 78 Cb 0.00 -4.43 0.11 0.00 0.00 0.00 0.00 36.38 32.07 2kcq s VAL 78 CO 0.14 -0.77 1.18 1.33 0.00 0.00 0.00 175.10 176.99 2kcq n VAL 79 N 6.35 0.00 -1.27 2.92 0.24 0.19 -4.96 118.33 121.79 2kcq n VAL 79 Ca 0.07 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2kcq n VAL 79 Cb 0.48 1.40 0.00 0.00 -1.47 0.00 0.00 33.84 34.26 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 1.35 -1.51 3.08 7.63 0.00 -1.19 -1.40 105.19 113.15 2kcq n GLY 80 Ca 0.12 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.39 0.19 -0.02 1.61 1.01 -0.10 0.08 120.40 120.79 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 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 2kcq s VAL 81 CO 0.00 -0.88 -0.09 -0.72 0.00 0.00 0.00 175.10 173.41 2kcq s TYR 82 N -3.49 0.88 0.10 5.22 -0.85 0.44 -0.37 117.35 119.27 2kcq s TYR 82 Ca 0.03 -0.19 0.07 0.00 -0.52 0.00 0.00 57.07 56.46 2kcq s TYR 82 Cb 0.05 -0.60 -0.04 0.00 0.38 0.00 0.00 41.96 41.75 2kcq s TYR 82 CO -0.08 -0.06 -0.10 -1.01 -1.52 0.00 0.00 175.55 172.78 2kcq s HIS 83 N -0.01 2.74 -0.19 -3.49 3.76 0.12 -2.53 115.29 115.68 2kcq s HIS 83 Ca 0.00 -0.15 -0.06 0.00 -0.15 0.00 0.00 55.06 54.69 2kcq s HIS 83 Cb -0.06 -1.44 -0.03 0.00 1.11 0.00 0.00 32.58 32.16 2kcq s HIS 83 CO -0.00 0.42 0.04 -1.12 -0.85 0.00 0.00 174.74 173.23 2kcq s SER 84 N -2.17 5.28 -0.54 1.40 0.01 -1.26 -2.09 113.70 114.33 2kcq s SER 84 Ca 0.21 -0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.46 2kcq s SER 84 Cb -0.11 -1.91 0.15 0.00 0.21 0.00 0.00 66.02 64.36 2kcq s SER 84 CO 0.13 0.11 0.33 -1.00 0.41 0.00 0.00 173.24 173.23 2kcq s HIS 85 N 0.72 2.76 -1.54 2.43 3.76 -1.02 -4.96 115.29 117.43 2kcq s HIS 85 Ca 0.02 -2.93 -0.11 0.00 -0.15 0.00 0.00 55.06 51.89 2kcq s HIS 85 Cb -0.14 -2.34 -0.05 0.00 1.11 0.00 0.00 32.58 31.16 2kcq s HIS 85 CO 0.02 -0.70 2.69 -2.30 -0.85 0.00 0.00 174.74 173.60 2kcq n PRO 86 N 2.87 3.35 0.00 8.40 -0.02 -1.24 -3.58 135.00 144.79 2kcq n PRO 86 Ca 0.13 -2.29 0.00 0.00 -2.02 0.00 0.00 63.50 59.32 2kcq n PRO 86 Cb 0.35 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 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 4.44 0.00 -4.48 2.55 2.03 -1.26 -4.98 116.55 114.85 2kcq n ASP 87 Ca 0.69 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.69 2kcq n ASP 87 Cb 0.28 0.28 -0.12 0.00 -0.72 0.00 0.00 41.12 40.84 2kcq n ASP 87 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2kcq s HIS 88 N -0.70 2.63 -0.72 -0.67 3.76 -1.26 -5.06 115.29 113.27 2kcq s HIS 88 Ca 0.00 -0.21 -0.26 0.00 -0.15 0.00 0.00 55.06 54.44 2kcq s HIS 88 Cb 0.00 -1.51 -0.04 0.00 1.11 0.00 0.00 32.58 32.14 2kcq s HIS 88 CO 0.00 0.26 1.94 -2.14 -0.85 0.00 0.00 174.74 173.95 2kcq s PRO 89 N -1.33 2.53 -1.83 8.40 0.02 -1.26 -3.86 135.00 137.67 2kcq s PRO 89 Ca 0.15 0.32 0.00 0.00 0.02 0.00 0.00 61.00 61.48 2kcq s PRO 89 Cb -0.11 -4.66 0.00 0.00 0.02 0.00 0.00 34.50 29.75 2kcq s PRO 89 CO 0.05 -3.07 0.00 0.00 -0.33 0.00 0.00 177.00 173.65 2kcq n ALA 90 N 13.61 -0.43 -2.60 -1.55 0.00 -1.26 -4.97 120.51 123.31 2kcq n ALA 90 Ca 0.30 0.23 -0.17 0.00 0.00 0.00 0.00 53.44 53.80 2kcq n ALA 90 Cb 0.50 -1.99 -0.11 0.00 0.00 0.00 0.00 19.45 17.84 2kcq n ALA 90 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kcq s ARG 91 N -4.30 0.87 0.61 0.00 0.52 -1.25 -4.78 118.95 110.62 2kcq s ARG 91 Ca 0.00 -1.08 -0.10 0.00 -0.52 0.00 0.00 55.73 54.03 2kcq s ARG 91 Cb 0.00 -0.76 0.15 0.00 0.52 0.00 0.00 34.95 34.86 2kcq s ARG 91 CO 0.00 0.15 0.64 -0.35 0.02 0.00 0.00 175.30 175.76 2kcq n PRO 92 N 0.90 -1.58 -3.90 3.54 -0.04 -1.26 -4.76 135.00 127.90 2kcq n PRO 92 Ca -0.18 -1.01 -0.14 0.00 -0.04 0.00 0.00 63.50 62.13 2kcq n PRO 92 Cb 0.56 -0.82 -0.02 0.00 -0.04 0.00 0.00 33.50 33.17 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 -3.79 -1.47 -0.02 3.54 7.64 -1.26 -5.01 113.62 113.25 2kcq n SER 93 Ca 0.08 -2.82 -0.11 0.00 1.01 0.00 0.00 58.87 57.04 2kcq n SER 93 Cb 0.31 2.68 -0.04 0.00 -1.01 0.00 0.00 64.21 66.15 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 2.02 0.18 -0.47 -0.43 0.00 -1.99 -0.99 119.26 117.58 2kcq h ALA 94 Ca -0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2kcq h ALA 94 Cb 1.17 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2kcq h ALA 94 CO 0.37 -0.34 0.21 1.15 0.00 0.00 0.00 179.25 180.64 2kcq h THR 95 N 0.19 1.17 -0.51 0.00 2.02 -1.98 0.10 112.91 113.90 2kcq h THR 95 Ca 0.05 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 66.65 2kcq h THR 95 Cb -0.02 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2kcq h THR 95 CO -0.02 0.20 -0.04 -0.78 0.37 0.00 0.00 175.52 175.25 2kcq h ASP 96 N 0.66 0.92 -0.49 4.18 1.82 -1.83 -2.38 116.42 119.31 2kcq h ASP 96 Ca 0.16 -0.32 -0.11 0.00 -0.39 0.00 0.00 57.03 56.37 2kcq h ASP 96 Cb 0.10 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 39.84 2kcq h ASP 96 CO -0.02 1.02 -0.13 0.25 -1.61 0.00 0.00 179.24 178.75 2kcq h LEU 97 N 0.79 0.97 -2.21 2.28 7.12 -0.51 -2.33 115.31 121.43 2kcq h LEU 97 Ca 0.14 -0.32 0.03 0.00 0.13 0.00 0.00 57.88 57.86 2kcq h LEU 97 Cb 0.57 -0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 40.43 2kcq h LEU 97 CO 0.03 1.10 0.10 -0.33 -0.13 0.00 0.00 178.44 179.21 2kcq h GLU 98 N 0.86 0.00 0.00 1.25 5.08 -0.45 0.28 114.58 121.61 2kcq h GLU 98 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2kcq h GLU 98 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2kcq h GLU 98 CO 0.05 0.00 -0.90 0.39 -1.00 0.00 0.00 179.01 177.55 2kcq n GLU 99 N -4.09 0.22 -1.67 2.33 1.02 -0.93 -4.49 120.64 113.04 2kcq n GLU 99 Ca -0.00 0.01 -0.36 0.00 -0.02 0.00 0.00 57.16 56.79 2kcq n GLU 99 Cb 0.21 -1.58 -0.03 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 -1.75 6.94 -0.48 0.62 0.00 0.09 -4.37 120.51 121.56 2kcq n ALA 100 Ca 0.03 -3.63 0.10 0.00 0.00 0.00 0.00 53.44 49.95 2kcq n ALA 100 Cb 0.41 -2.81 0.33 0.00 0.00 0.00 0.00 19.45 17.37 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 2.16 1.38 -3.63 0.00 -1.04 -1.26 -4.79 114.28 107.10 2kcq n THR 101 Ca 0.64 -1.10 -0.38 0.00 -2.04 0.00 0.00 64.05 61.16 2kcq n THR 101 Cb 0.33 0.33 -0.07 0.00 -1.82 0.00 0.00 70.33 69.10 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 -1.40 3.58 0.39 -1.42 0.08 -1.26 -5.08 117.98 112.87 2kcq s PHE 102 Ca 0.48 -2.66 -0.27 0.00 0.12 0.00 0.00 56.93 54.61 2kcq s PHE 102 Cb 0.28 -3.33 -0.09 0.00 -0.57 0.00 0.00 43.02 39.31 2kcq s PHE 102 CO 0.28 -0.85 1.30 -2.14 -0.10 0.00 0.00 175.22 173.71 2kcq s PRO 103 N -0.33 4.05 0.00 0.24 0.02 -1.26 -2.85 135.00 134.87 2kcq s PRO 103 Ca 0.20 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.37 2kcq s PRO 103 Cb -0.16 -2.82 0.00 0.00 0.02 0.00 0.00 34.50 31.55 2kcq s PRO 103 CO -0.06 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 2kcq n GLY 104 N 0.69 3.39 3.79 0.52 0.00 -1.26 -5.05 105.19 107.27 2kcq n GLY 104 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.91 3.82 -0.19 1.61 0.40 -1.13 -4.86 117.98 114.71 2kcq s PHE 105 Ca 0.00 1.60 -0.14 0.00 -0.60 0.00 0.00 56.93 57.78 2kcq s PHE 105 Cb 0.00 -2.75 -0.04 0.00 0.51 0.00 0.00 43.02 40.73 2kcq s PHE 105 CO 0.00 0.43 0.33 0.99 0.70 0.00 0.00 175.22 177.67 2kcq s THR 106 N -1.30 5.26 -0.27 0.64 2.01 -0.50 -4.30 115.64 117.18 2kcq s THR 106 Ca 0.39 0.57 -0.09 0.00 0.31 0.00 0.00 61.69 62.87 2kcq s THR 106 Cb -0.21 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 2kcq s THR 106 CO 0.25 0.31 0.13 -0.31 -0.69 0.00 0.00 174.62 174.31 2kcq s TYR 107 N 1.00 3.15 -0.22 4.92 1.51 -0.22 -0.92 117.35 126.57 2kcq s TYR 107 Ca 0.16 -0.21 -0.09 0.00 -1.01 0.00 0.00 57.07 55.92 2kcq s TYR 107 Cb -0.14 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.35 2kcq s TYR 107 CO 0.06 -0.29 0.11 0.08 -1.11 0.00 0.00 175.55 174.40 2kcq s VAL 108 N 1.68 4.97 -0.20 0.71 1.01 0.50 0.71 120.40 129.77 2kcq s VAL 108 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 2kcq s VAL 108 Cb -0.16 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 2kcq s VAL 108 CO 0.07 0.39 -0.10 -0.63 0.00 0.00 0.00 175.10 174.83 2kcq s ILE 109 N 0.89 2.97 -0.17 2.22 1.01 0.17 0.16 121.20 128.46 2kcq s ILE 109 Ca 0.06 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 2kcq s ILE 109 Cb -0.13 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 2kcq s ILE 109 CO 0.03 0.47 0.06 0.54 0.00 0.00 0.00 174.94 176.03 2kcq s VAL 110 N 1.27 4.75 -0.54 2.92 0.11 -0.89 -0.82 120.40 127.21 2kcq s VAL 110 Ca 0.03 -0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 58.77 2kcq s VAL 110 Cb -0.14 -3.12 0.03 0.00 -1.53 0.00 0.00 36.38 31.62 2kcq s VAL 110 CO -0.05 0.49 1.03 -0.55 -3.33 0.00 0.00 175.10 172.69 2kcq s SER 111 N 0.16 6.43 -0.21 3.54 0.15 0.28 -2.44 113.70 121.61 2kcq s SER 111 Ca 0.04 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2kcq s SER 111 Cb -0.12 -2.48 0.03 0.00 -1.71 0.00 0.00 66.02 61.73 2kcq s SER 111 CO 0.01 -1.27 -0.15 -0.69 1.20 0.00 0.00 173.24 172.34 2kcq s VAL 112 N 4.26 2.34 -0.58 4.45 1.01 -1.23 0.55 120.40 131.20 2kcq s VAL 112 Ca 0.37 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 2kcq s VAL 112 Cb -0.10 -2.10 0.15 0.00 0.00 0.00 0.00 36.38 34.33 2kcq s VAL 112 CO 0.24 0.36 0.39 -0.13 0.00 0.00 0.00 175.10 175.96 2kcq s ARG 113 N 1.28 2.44 -0.94 2.72 0.52 0.12 -3.59 118.95 121.49 2kcq s ARG 113 Ca 0.02 -2.42 -0.09 0.00 -0.52 0.00 0.00 55.73 52.71 2kcq s ARG 113 Cb -0.15 -3.68 -0.00 0.00 0.52 0.00 0.00 34.95 31.63 2kcq s ARG 113 CO -0.09 -1.15 0.71 -3.47 0.02 0.00 0.00 175.30 171.32 2kcq n ASP 114 N 3.64 -5.82 0.00 0.23 2.03 -1.26 -1.81 116.55 113.56 2kcq n ASP 114 Ca 0.06 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.61 2kcq n ASP 114 Cb 0.38 -3.33 0.00 0.00 -0.72 0.00 0.00 41.12 37.45 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 -1.70 2.69 3.32 0.27 0.00 -1.26 -4.98 105.19 103.53 2kcq n GLY 115 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.09 3.40 -0.58 4.61 0.00 -0.75 -4.79 121.76 121.56 2kcq s ALA 116 Ca 0.00 -2.12 -0.28 0.00 0.00 0.00 0.00 51.96 49.57 2kcq s ALA 116 Cb 0.00 -2.82 0.02 0.00 0.00 0.00 0.00 23.12 20.32 2kcq s ALA 116 CO 0.00 -1.67 1.38 -2.14 0.00 0.00 0.00 175.76 173.33 2kcq s PRO 117 N 1.52 3.32 0.00 0.00 0.02 -1.26 0.11 135.00 138.70 2kcq s PRO 117 Ca 0.03 0.38 0.00 0.00 0.02 0.00 0.00 61.00 61.44 2kcq s PRO 117 Cb -0.23 -4.11 0.00 0.00 0.02 0.00 0.00 34.50 30.17 2kcq s PRO 117 CO 0.04 -1.92 0.42 -1.91 -0.33 0.00 0.00 177.00 173.30 2kcq n GLU 118 N 8.68 0.00 -3.79 5.54 2.13 0.19 -4.98 120.64 128.40 2kcq n GLU 118 Ca 0.11 0.38 -0.10 0.00 0.66 0.00 0.00 57.16 58.21 2kcq n GLU 118 Cb 0.49 -1.11 -0.07 0.00 0.27 0.00 0.00 31.44 31.02 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 -3.01 -0.46 -0.13 4.31 0.00 -1.23 -4.99 121.76 116.24 2kcq s ALA 119 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 2kcq s ALA 119 Cb 0.00 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2kcq s ALA 119 CO 0.00 -0.50 -0.04 -0.51 0.00 0.00 0.00 175.76 174.70 2kcq s LEU 120 N -2.63 3.24 -0.00 0.00 1.02 -1.26 -0.55 118.68 118.50 2kcq s LEU 120 Ca 0.02 -0.09 0.05 0.00 0.02 0.00 0.00 54.13 54.13 2kcq s LEU 120 Cb 0.03 -1.76 -0.01 0.00 0.02 0.00 0.00 46.19 44.46 2kcq s LEU 120 CO -0.09 0.23 -0.16 0.42 0.02 0.00 0.00 176.35 176.77 2kcq s THR 121 N -0.02 1.27 -0.01 5.49 -4.23 0.00 -5.01 115.64 113.14 2kcq s THR 121 Ca 0.01 -0.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.80 2kcq s THR 121 Cb -0.13 -1.07 -0.03 0.00 1.34 0.00 0.00 72.50 72.61 2kcq s THR 121 CO 0.03 0.32 -0.04 0.00 -0.54 0.00 0.00 174.62 174.38 2kcq s ALA 122 N -0.44 3.13 0.00 3.99 0.00 -1.26 0.44 121.76 127.62 2kcq s ALA 122 Ca 0.06 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.07 2kcq s ALA 122 Cb -0.06 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 2kcq s ALA 122 CO -0.00 0.62 -0.11 -1.58 0.00 0.00 0.00 175.76 174.69 2kcq s TRP 123 N -1.02 0.94 -0.10 0.00 0.52 0.22 -0.64 118.94 118.87 2kcq s TRP 123 Ca 0.18 -0.22 -0.04 0.00 0.02 0.00 0.00 56.10 56.04 2kcq s TRP 123 Cb -0.11 -0.59 -0.04 0.00 -1.15 0.00 0.00 33.47 31.58 2kcq s TRP 123 CO 0.08 -0.01 0.04 0.00 0.02 0.00 0.00 176.95 177.08 2kcq s ALA 124 N -0.40 3.46 0.02 0.98 0.00 0.14 -1.05 121.76 124.91 2kcq s ALA 124 Ca 0.03 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 2kcq s ALA 124 Cb -0.05 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 2kcq s ALA 124 CO -0.00 0.58 0.94 -1.17 0.00 0.00 0.00 175.76 176.11 2kcq s LEU 125 N -0.87 4.40 0.34 0.00 2.96 -1.26 -0.12 118.68 124.13 2kcq s LEU 125 Ca 0.13 1.64 -0.29 0.00 -0.22 0.00 0.00 54.13 55.40 2kcq s LEU 125 Cb -0.12 -3.52 -0.11 0.00 0.50 0.00 0.00 46.19 42.95 2kcq s LEU 125 CO 0.03 -0.19 1.51 0.00 -1.32 0.00 0.00 176.35 176.38 2kcq s ALA 126 N 0.72 3.63 0.44 5.97 0.00 -0.49 -4.78 121.76 127.24 2kcq s ALA 126 Ca 0.49 1.55 0.19 0.00 0.00 0.00 0.00 51.96 54.19 2kcq s ALA 126 Cb -0.21 -3.62 1.14 0.00 0.00 0.00 0.00 23.12 20.43 2kcq s ALA 126 CO 0.27 -1.01 1.90 -1.00 0.00 0.00 0.00 175.76 175.92 2kcq h PRO 127 N 3.71 0.33 -0.14 0.00 0.13 -1.95 0.31 132.00 134.39 2kcq h PRO 127 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2kcq h PRO 127 Cb 1.23 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kcq h PRO 127 CO 0.70 0.22 0.00 -3.47 -0.23 0.00 0.00 178.00 175.21 2kcq n ASP 128 N -4.46 1.05 -2.00 1.44 2.03 -1.26 -4.87 116.55 108.47 2kcq n ASP 128 Ca 0.16 -1.74 -0.19 0.00 0.52 0.00 0.00 54.79 53.54 2kcq n ASP 128 Cb 0.65 -0.09 -0.03 0.00 -0.72 0.00 0.00 41.12 40.93 2kcq n ASP 128 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kcq n ARG 129 N -0.03 -1.50 -0.03 -0.67 3.00 0.11 -4.90 116.66 112.64 2kcq n ARG 129 Ca 0.12 1.02 -0.18 0.00 -0.01 0.00 0.00 57.85 58.81 2kcq n ARG 129 Cb 0.21 -5.52 -0.13 0.00 0.00 0.00 0.00 32.46 27.01 2kcq n ARG 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2kcq h SER 130 N 0.00 0.17 -2.68 0.55 0.87 -1.90 -3.48 113.55 107.08 2kcq h SER 130 Ca -0.44 -0.91 -0.11 0.00 -1.23 0.00 0.00 61.79 59.09 2kcq h SER 130 Cb 1.32 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.20 2kcq h SER 130 CO 0.56 1.24 -0.01 -1.84 -0.53 0.00 0.00 176.83 176.25 2kcq n GLU 131 N -4.37 0.47 -4.11 2.24 0.28 -1.26 -5.03 120.64 108.87 2kcq n GLU 131 Ca -0.16 -1.48 -0.32 0.00 -0.16 0.00 0.00 57.16 55.04 2kcq n GLU 131 Cb 0.65 1.54 -0.07 0.00 1.43 0.00 0.00 31.44 34.99 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 -4.26 3.20 0.08 -1.84 0.08 -1.26 -1.40 117.98 112.59 2kcq s PHE 132 Ca 0.14 0.12 0.08 0.00 0.12 0.00 0.00 56.93 57.40 2kcq s PHE 132 Cb -0.01 -1.67 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 2kcq s PHE 132 CO 0.10 0.52 -0.22 -1.01 -0.10 0.00 0.00 175.22 174.52 2kcq s HIS 133 N -1.27 1.89 0.21 0.36 3.76 0.83 -4.92 115.29 116.15 2kcq s HIS 133 Ca 0.25 -0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 54.46 2kcq s HIS 133 Cb -0.12 -1.07 -0.09 0.00 1.11 0.00 0.00 32.58 32.41 2kcq s HIS 133 CO 0.17 0.18 1.28 0.50 -0.85 0.00 0.00 174.74 176.02 2kcq s ARG 134 N -1.64 4.42 0.18 1.40 6.06 -1.26 0.23 118.95 128.34 2kcq s ARG 134 Ca 0.08 2.02 0.11 0.00 -2.50 0.00 0.00 55.73 55.44 2kcq s ARG 134 Cb -0.10 -3.20 -0.04 0.00 0.06 0.00 0.00 34.95 31.67 2kcq s ARG 134 CO 0.03 -0.20 -0.24 -2.00 -2.50 0.00 0.00 175.30 170.40 2kcq s GLU 135 N -0.30 1.48 -0.18 5.12 2.56 0.19 -4.73 118.70 122.85 2kcq s GLU 135 Ca 0.55 -1.49 -0.06 0.00 0.00 0.00 0.00 54.97 53.97 2kcq s GLU 135 Cb -0.36 -1.83 -0.03 0.00 2.00 0.00 0.00 34.13 33.91 2kcq s GLU 135 CO 0.39 0.40 0.02 0.34 -0.56 0.00 0.00 175.26 175.85 2kcq s ASP 136 N -2.55 5.21 -0.35 -1.70 2.15 -1.26 -4.23 116.67 113.94 2kcq s ASP 136 Ca 0.19 -0.05 -0.26 0.00 0.43 0.00 0.00 52.55 52.87 2kcq s ASP 136 Cb -0.08 -1.88 0.01 0.00 -0.30 0.00 0.00 42.92 40.67 2kcq s ASP 136 CO 0.09 0.14 0.94 -0.63 -0.17 0.00 0.00 175.17 175.54 2kcq s ILE 137 N 0.53 4.59 0.18 4.11 1.09 -1.26 -4.48 121.20 125.96 2kcq s ILE 137 Ca 0.01 1.28 0.07 0.00 -1.10 0.00 0.00 60.65 60.90 2kcq s ILE 137 Cb -0.13 -4.33 -0.04 0.00 -1.06 0.00 0.00 42.46 36.90 2kcq s ILE 137 CO 0.02 -0.50 0.04 -0.69 -0.10 0.00 0.00 174.94 173.70 2kcq s VAL 138 N 3.45 3.91 0.40 2.92 1.01 -0.79 -5.02 120.40 126.29 2kcq s VAL 138 Ca 0.39 -1.35 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 2kcq s VAL 138 Cb -0.12 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2kcq s VAL 138 CO 0.18 -0.12 0.67 -0.13 0.00 0.00 0.00 175.10 175.69 2kcq s ARG 139 N -3.02 3.54 0.20 2.72 0.52 -1.26 -0.98 118.95 120.68 2kcq s ARG 139 Ca 0.28 -0.02 -0.32 0.00 -0.52 0.00 0.00 55.73 55.15 2kcq s ARG 139 Cb -0.09 -2.52 -0.13 0.00 0.52 0.00 0.00 34.95 32.73 2kcq s ARG 139 CO 0.20 -0.02 1.63 -2.30 0.02 0.00 0.00 175.30 174.84 2kcq n PRO 140 N -1.89 2.48 -1.60 3.54 -0.02 -1.25 -4.69 135.00 131.56 2kcq n PRO 140 Ca -0.02 0.89 -0.53 0.00 -2.02 0.00 0.00 63.50 61.82 2kcq n PRO 140 Cb 0.55 -2.69 -0.06 0.00 -0.02 0.00 0.00 33.50 31.28 2kcq n PRO 140 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kcq n ASP 141 N 3.45 1.62 -1.04 2.55 9.92 -1.26 -4.74 116.55 127.05 2kcq n ASP 141 Ca 0.15 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.53 2kcq n ASP 141 Cb 0.32 -1.17 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 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 2.77 0.68 0.01 -0.24 -0.04 -1.26 -2.79 135.00 134.14 2kcq n PRO 142 Ca 0.19 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.63 2kcq n PRO 142 Cb 0.18 -1.16 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.72 0.12 -3.15 0.54 -0.58 -1.26 -5.09 120.64 111.95 2kcq n GLU 143 Ca 0.00 0.05 -0.14 0.00 -0.42 0.00 0.00 57.16 56.65 2kcq n GLU 143 Cb 0.34 -0.72 0.01 0.00 -0.57 0.00 0.00 31.44 30.51 2kcq n GLU 143 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kcq n ALA 144 N -3.67 -2.72 -1.69 0.62 0.00 -1.12 -4.90 120.51 107.04 2kcq n ALA 144 Ca -0.04 0.54 -0.40 0.00 0.00 0.00 0.00 53.44 53.54 2kcq n ALA 144 Cb 0.18 -2.54 0.03 0.00 0.00 0.00 0.00 19.45 17.12 2kcq n ALA 144 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kcq n PRO 145 N -0.92 1.63 -1.62 0.00 -0.02 -1.26 -4.98 135.00 127.82 2kcq n PRO 145 Ca -0.01 0.59 -0.30 0.00 -2.02 0.00 0.00 63.50 61.76 2kcq n PRO 145 Cb 0.54 -2.37 0.07 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.13 2.84 0.88 2.45 1.43 -1.26 -5.05 118.68 117.84 2kcq s LEU 146 Ca 0.67 1.39 -0.12 0.00 -1.03 0.00 0.00 54.13 55.03 2kcq s LEU 146 Cb -0.47 -4.13 0.12 0.00 0.03 0.00 0.00 46.19 41.74 2kcq s LEU 146 CO 0.53 -1.66 1.14 -1.61 0.23 0.00 0.00 176.35 174.98 2kcq s GLU 147 N -5.15 1.36 0.55 1.70 0.41 -1.26 -5.00 118.70 111.31 2kcq s GLU 147 Ca 0.59 0.32 -0.21 0.00 -0.41 0.00 0.00 54.97 55.26 2kcq s GLU 147 Cb -0.14 -1.86 -0.05 0.00 -1.78 0.00 0.00 34.13 30.30 2kcq s GLU 147 CO 0.54 -2.05 1.30 -3.38 -0.49 0.00 0.00 175.26 171.18 2kcq s HIS 148 N -3.29 2.38 -0.02 1.61 -3.43 -1.26 -4.89 115.29 106.39 2kcq s HIS 148 Ca 0.63 1.43 -0.30 0.00 -0.80 0.00 0.00 55.06 56.02 2kcq s HIS 148 Cb -0.14 -3.68 -0.06 0.00 -1.43 0.00 0.00 32.58 27.27 2kcq s HIS 148 CO 0.53 -2.57 1.67 -1.58 -2.00 0.00 0.00 174.74 170.79 2kcq s HIS 149 N -1.39 2.03 -0.11 0.38 2.46 -1.26 -4.99 115.29 112.42 2kcq s HIS 149 Ca 0.72 0.18 0.03 0.00 0.47 0.00 0.00 55.06 56.46 2kcq s HIS 149 Cb -0.37 -3.95 0.01 0.00 -0.13 0.00 0.00 32.58 28.14 2kcq s HIS 149 CO 0.43 -3.96 -0.22 -1.58 -2.47 0.00 0.00 174.74 166.94 2kcq s HIS 150 N 3.73 2.43 -0.44 3.88 5.04 -1.26 -5.09 115.29 123.58 2kcq s HIS 150 Ca 0.74 -1.07 -0.02 0.00 -1.54 0.00 0.00 55.06 53.18 2kcq s HIS 150 Cb -0.35 -1.65 0.12 0.00 0.04 0.00 0.00 32.58 30.73 2kcq s HIS 150 CO 0.31 -0.46 0.22 -1.58 -2.34 0.00 0.00 174.74 170.89 2kcq s HIS 151 N 0.55 3.57 -0.30 3.88 2.46 -1.26 -5.02 115.29 119.17 2kcq s HIS 151 Ca -0.14 -2.59 -0.17 0.00 0.47 0.00 0.00 55.06 52.63 2kcq s HIS 151 Cb -0.17 -3.16 0.19 0.00 -0.13 0.00 0.00 32.58 29.31 2kcq s HIS 151 CO 0.05 -0.94 1.19 -1.58 -2.47 0.00 0.00 174.74 170.99 2kcq s HIS 152 N 0.85 -0.21 0.00 3.88 5.04 -1.26 -5.36 115.29 118.23 2kcq s HIS 152 Ca 0.10 0.43 0.00 0.00 -1.54 0.00 0.00 55.06 54.06 2kcq s HIS 152 Cb -0.22 0.16 0.00 0.00 0.04 0.00 0.00 32.58 32.56 2kcq s HIS 152 CO -0.04 -0.11 0.38 -2.39 -2.34 0.00 0.00 174.74 170.24