#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 3.98 0.24 2.12 3.01 0.73 -0.36 119.74 129.45 2kcq s LYS 2 Ca 0.00 -0.31 -0.20 0.00 -1.01 0.00 0.00 55.97 54.45 2kcq s LYS 2 Cb 0.00 -3.58 0.03 0.00 -1.01 0.00 0.00 37.83 33.27 2kcq s LYS 2 CO 0.00 -0.08 0.64 -0.08 0.51 0.00 0.00 175.35 176.34 2kcq s THR 3 N 1.45 0.00 0.15 2.17 -1.32 0.43 -1.15 115.64 117.37 2kcq s THR 3 Ca 0.07 -0.79 0.01 0.00 -1.21 0.00 0.00 61.69 59.77 2kcq s THR 3 Cb -0.15 -1.74 -0.04 0.00 -1.51 0.00 0.00 72.50 69.07 2kcq s THR 3 CO 0.08 -0.02 0.31 0.42 -2.21 0.00 0.00 174.62 173.20 2kcq s THR 4 N -3.88 5.29 0.48 5.08 -4.23 -1.26 -3.85 115.64 113.27 2kcq s THR 4 Ca 0.09 -0.51 0.21 0.00 -1.18 0.00 0.00 61.69 60.30 2kcq s THR 4 Cb -0.04 -3.72 0.38 0.00 1.34 0.00 0.00 72.50 70.46 2kcq s THR 4 CO 0.01 -0.07 1.96 1.55 -0.54 0.00 0.00 174.62 177.53 2kcq h PRO 5 N 2.27 0.19 -0.30 3.99 0.13 -1.98 -1.01 132.00 135.29 2kcq h PRO 5 Ca -0.48 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2kcq h PRO 5 Cb 1.19 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2kcq h PRO 5 CO 0.70 0.12 0.16 0.22 -0.23 0.00 0.00 178.00 178.97 2kcq h ASP 6 N 0.19 0.37 -0.44 1.44 3.58 -1.98 0.15 116.42 119.73 2kcq h ASP 6 Ca 0.31 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.64 2kcq h ASP 6 Cb 0.94 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 2kcq h ASP 6 CO -0.05 0.36 0.17 0.40 -2.88 0.00 0.00 179.24 177.24 2kcq h ILE 7 N 0.36 1.21 -0.93 2.25 1.08 -1.62 0.12 117.51 119.97 2kcq h ILE 7 Ca 0.10 -0.64 0.04 0.00 -0.39 0.00 0.00 64.86 63.97 2kcq h ILE 7 Cb 0.07 0.80 -0.06 0.00 -3.07 0.00 0.00 36.82 34.57 2kcq h ILE 7 CO -0.02 0.24 0.60 -0.07 -0.69 0.00 0.00 178.15 178.21 2kcq h LEU 8 N 0.57 0.98 -0.35 1.44 3.38 -1.05 -0.26 115.31 120.03 2kcq h LEU 8 Ca 0.15 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 2kcq h LEU 8 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2kcq h LEU 8 CO -0.01 0.66 -0.08 -0.78 0.09 0.00 0.00 178.44 178.33 2kcq h ASP 9 N 1.14 0.68 -0.78 -0.43 3.58 -0.30 -2.76 116.42 117.55 2kcq h ASP 9 Ca 0.38 -0.36 0.09 0.00 0.42 0.00 0.00 57.03 57.56 2kcq h ASP 9 Cb 0.05 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 40.86 2kcq h ASP 9 CO -0.13 0.88 0.51 1.56 -2.88 0.00 0.00 179.24 179.17 2kcq h GLN 10 N 0.47 0.73 -0.35 0.28 4.20 -0.08 0.02 115.11 120.37 2kcq h GLN 10 Ca 0.09 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.78 2kcq h GLN 10 Cb 0.58 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 2kcq h GLN 10 CO 0.03 0.48 0.19 0.82 -0.67 0.00 0.00 178.83 179.68 2kcq h ILE 11 N 0.75 1.00 -0.22 2.54 2.04 -0.79 0.46 117.51 123.30 2kcq h ILE 11 Ca 0.35 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 66.06 2kcq h ILE 11 Cb 0.39 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2kcq h ILE 11 CO -0.13 0.07 0.04 0.03 0.00 0.00 0.00 178.15 178.16 2kcq h ARG 12 N 0.38 0.36 -0.08 2.37 3.08 -1.07 -1.97 114.38 117.44 2kcq h ARG 12 Ca 0.15 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2kcq h ARG 12 Cb 0.04 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2kcq h ARG 12 CO -0.09 0.50 -0.06 0.28 -1.07 0.00 0.00 179.97 179.53 2kcq h VAL 13 N 0.17 1.34 0.00 2.04 2.07 -0.83 -2.91 116.25 118.13 2kcq h VAL 13 Ca 0.07 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 2kcq h VAL 13 Cb 0.32 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2kcq h VAL 13 CO 0.00 0.32 -0.27 -0.74 0.02 0.00 0.00 177.57 176.90 2kcq h HIS 14 N -0.21 0.00 -0.52 1.57 2.76 -0.12 0.19 115.15 118.82 2kcq h HIS 14 Ca 0.02 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 2kcq h HIS 14 Cb 0.54 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 2kcq h HIS 14 CO 0.08 0.27 0.21 0.78 -1.30 0.00 0.00 177.93 177.97 2kcq h GLY 15 N 0.98 0.84 2.00 5.26 0.00 -1.30 -1.40 103.07 109.45 2kcq h GLY 15 Ca -0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 2kcq h GLY 15 CO 0.04 0.43 -0.60 0.00 0.00 0.00 0.00 176.54 176.41 2kcq h ALA 16 N 1.06 0.92 -0.63 3.60 0.00 -1.14 -3.05 119.26 120.01 2kcq h ALA 16 Ca 0.17 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 2kcq h ALA 16 Cb 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2kcq h ALA 16 CO -0.01 0.75 0.24 0.22 0.00 0.00 0.00 179.25 180.45 2kcq h ASP 17 N 0.00 0.85 -0.37 0.00 3.58 -0.28 -2.85 116.42 117.36 2kcq h ASP 17 Ca -0.01 -0.12 -0.14 0.00 0.42 0.00 0.00 57.03 57.19 2kcq h ASP 17 Cb 1.13 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 2kcq h ASP 17 CO 0.08 0.77 -0.28 0.00 -2.88 0.00 0.00 179.24 176.93 2kcq h ALA 18 N 1.35 0.72 -2.43 -0.78 0.00 -1.16 -3.45 119.26 113.51 2kcq h ALA 18 Ca 0.21 -0.41 -0.51 0.00 0.00 0.00 0.00 54.91 54.20 2kcq h ALA 18 Cb 0.19 -0.15 0.11 0.00 0.00 0.00 0.00 17.79 17.95 2kcq h ALA 18 CO -0.02 0.66 0.36 0.71 0.00 0.00 0.00 179.25 180.97 2kcq s TYR 19 N -4.54 2.60 -1.69 0.00 2.02 -1.08 -1.89 117.35 112.78 2kcq s TYR 19 Ca -0.10 1.55 0.26 0.00 -0.37 0.00 0.00 57.07 58.41 2kcq s TYR 19 Cb 0.12 -3.15 1.41 0.00 -0.40 0.00 0.00 41.96 39.94 2kcq s TYR 19 CO 0.86 -1.73 1.88 -2.30 -1.57 0.00 0.00 175.55 172.69 2kcq n PRO 20 N -2.67 0.57 -0.45 -1.71 -0.02 -1.26 -4.99 135.00 124.46 2kcq n PRO 20 Ca 0.10 0.03 -0.10 0.00 -2.02 0.00 0.00 63.50 61.51 2kcq n PRO 20 Cb 0.52 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.58 2kcq n PRO 20 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kcq n GLU 21 N -1.16 -1.19 -3.28 -0.52 1.02 -0.79 -5.11 120.64 109.62 2kcq n GLU 21 Ca 0.15 -0.61 -0.13 0.00 -0.02 0.00 0.00 57.16 56.56 2kcq n GLU 21 Cb 0.15 -0.50 -0.04 0.00 -0.02 0.00 0.00 31.44 31.03 2kcq n GLU 21 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2kcq n GLU 22 N -2.32 0.56 0.00 3.49 -0.00 -1.26 -4.87 120.64 116.24 2kcq n GLU 22 Ca 0.05 -1.86 0.00 0.00 -0.00 0.00 0.00 57.16 55.35 2kcq n GLU 22 Cb 0.19 1.18 0.00 0.00 -0.00 0.00 0.00 31.44 32.81 2kcq n GLU 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kcq n GLY 23 N 0.29 1.56 0.00 -1.84 0.00 -1.26 -4.99 105.19 98.95 2kcq n GLY 23 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 4.74 2.46 3.63 0.00 0.00 -1.22 -0.63 105.19 114.17 2kcq n GLY 25 Ca 0.00 -1.26 -0.23 0.00 0.00 0.00 0.00 46.02 44.52 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 -5.97 2.62 -0.23 1.61 0.08 -1.04 -2.10 117.98 112.94 2kcq s PHE 26 Ca 0.04 -0.29 -0.16 0.00 0.12 0.00 0.00 56.93 56.64 2kcq s PHE 26 Cb -0.00 -1.27 -0.04 0.00 -0.57 0.00 0.00 43.02 41.14 2kcq s PHE 26 CO 0.03 0.58 0.41 -0.51 -0.10 0.00 0.00 175.22 175.63 2kcq s LEU 27 N -3.68 4.10 -0.16 -0.37 1.43 0.98 -3.60 118.68 117.38 2kcq s LEU 27 Ca 0.32 0.44 -0.06 0.00 -1.03 0.00 0.00 54.13 53.80 2kcq s LEU 27 Cb -0.05 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2kcq s LEU 27 CO 0.19 -0.15 0.05 -0.76 0.23 0.00 0.00 176.35 175.92 2kcq s LEU 28 N 1.73 3.76 0.00 1.79 1.43 -0.57 -1.15 118.68 125.68 2kcq s LEU 28 Ca 0.18 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2kcq s LEU 28 Cb -0.15 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.13 2kcq s LEU 28 CO 0.09 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.49 2kcq n GLY 29 N 3.28 -0.84 3.09 -3.19 0.00 -0.07 -1.89 105.19 105.57 2kcq n GLY 29 Ca -0.17 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.00 0.57 -0.21 2.61 -4.23 0.11 -0.83 115.64 109.67 2kcq s THR 30 Ca 0.00 -1.28 -0.20 0.00 -1.18 0.00 0.00 61.69 59.03 2kcq s THR 30 Cb 0.00 -0.85 -0.03 0.00 1.34 0.00 0.00 72.50 72.96 2kcq s THR 30 CO 0.00 -0.50 0.60 -0.69 -0.54 0.00 0.00 174.62 173.49 2kcq s VAL 31 N -1.90 5.04 -0.22 2.29 1.01 -1.26 -0.23 120.40 125.14 2kcq s VAL 31 Ca -0.05 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 63.02 2kcq s VAL 31 Cb -0.06 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2kcq s VAL 31 CO -0.01 0.11 -0.08 0.28 0.00 0.00 0.00 175.10 175.41 2kcq s THR 32 N 1.94 3.00 0.00 3.92 -1.32 -1.26 -4.95 115.64 116.97 2kcq s THR 32 Ca 0.27 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 2kcq s THR 32 Cb -0.16 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.46 2kcq s THR 32 CO 0.10 0.41 0.00 -0.67 -2.21 0.00 0.00 174.62 172.25 2kcq n ASP 33 N 4.74 0.00 0.12 8.08 2.03 -1.26 -0.84 116.55 129.41 2kcq n ASP 33 Ca -0.18 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.23 2kcq n ASP 33 Cb 0.50 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.92 2kcq n ASP 33 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2kcq h ASP 34 N 0.00 0.00 0.00 1.67 3.58 -2.04 -3.47 116.42 116.16 2kcq h ASP 34 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kcq h ASP 34 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2kcq h ASP 34 CO 0.00 0.06 0.00 0.61 -2.88 0.00 0.00 179.24 177.03 2kcq n GLY 35 N 1.19 1.57 0.26 -0.78 0.00 -0.02 -5.00 105.19 102.41 2kcq n GLY 35 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2kcq n GLY 35 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kcq h ASP 36 N 0.00 0.64 -4.07 1.61 3.58 -1.90 -3.47 116.42 112.81 2kcq h ASP 36 Ca 0.00 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2kcq h ASP 36 Cb 0.00 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.88 2kcq h ASP 36 CO 0.00 0.78 -0.23 0.59 -2.88 0.00 0.00 179.24 177.50 2kcq n ASN 37 N -4.18 -3.80 -4.19 2.28 3.02 -1.26 -2.87 115.26 104.26 2kcq n ASN 37 Ca 0.01 0.33 -0.36 0.00 -0.03 0.00 0.00 54.58 54.52 2kcq n ASN 37 Cb 0.35 -0.48 -0.12 0.00 -0.61 0.00 0.00 39.78 38.91 2kcq n ASN 37 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2kcq s ARG 38 N -3.60 2.37 -0.34 3.52 3.52 0.69 -0.19 118.95 124.91 2kcq s ARG 38 Ca 0.00 -1.43 -0.14 0.00 -0.13 0.00 0.00 55.73 54.03 2kcq s ARG 38 Cb 0.00 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 2kcq s ARG 38 CO 0.00 -0.80 0.29 0.08 -0.81 0.00 0.00 175.30 174.06 2kcq s VAL 39 N 1.27 5.24 0.00 7.11 1.01 -0.30 -0.71 120.40 134.03 2kcq s VAL 39 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2kcq s VAL 39 Cb -0.21 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2kcq s VAL 39 CO -0.01 -0.02 0.63 0.00 0.00 0.00 0.00 175.10 175.70 2kcq n ALA 40 N 5.21 2.31 -3.22 5.51 0.00 -0.87 -4.43 120.51 125.03 2kcq n ALA 40 Ca -0.11 -0.63 -0.13 0.00 0.00 0.00 0.00 53.44 52.56 2kcq n ALA 40 Cb 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.28 -0.82 -0.05 0.00 0.00 -0.79 -5.03 121.76 114.79 2kcq s ALA 41 Ca 0.00 0.89 0.06 0.00 0.00 0.00 0.00 51.96 52.92 2kcq s ALA 41 Cb 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 2kcq s ALA 41 CO 0.00 -0.16 -0.25 -0.51 0.00 0.00 0.00 175.76 174.84 2kcq s LEU 42 N 0.07 2.11 -0.04 0.00 1.43 -1.26 -1.51 118.68 119.49 2kcq s LEU 42 Ca -0.01 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.59 2kcq s LEU 42 Cb -0.03 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.84 2kcq s LEU 42 CO 0.01 0.27 0.08 -2.28 0.23 0.00 0.00 176.35 174.66 2kcq s HIS 43 N -0.33 -0.08 0.21 0.29 2.46 -1.24 -5.01 115.29 111.59 2kcq s HIS 43 Ca 0.02 0.26 -0.30 0.00 0.47 0.00 0.00 55.06 55.50 2kcq s HIS 43 Cb -0.12 -0.06 -0.08 0.00 -0.13 0.00 0.00 32.58 32.18 2kcq s HIS 43 CO 0.02 -0.08 0.96 0.50 -2.47 0.00 0.00 174.74 173.66 2kcq s ARG 44 N 0.58 4.80 -0.74 2.88 3.52 -1.26 -2.49 118.95 126.24 2kcq s ARG 44 Ca -0.05 1.50 -0.26 0.00 -0.13 0.00 0.00 55.73 56.80 2kcq s ARG 44 Cb -0.06 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 2kcq s ARG 44 CO -0.02 0.42 1.85 0.00 -0.81 0.00 0.00 175.30 176.74 2kcq s ALA 45 N -0.88 2.02 -0.00 6.12 0.00 0.20 -4.85 121.76 124.37 2kcq s ALA 45 Ca 0.43 -1.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 2kcq s ALA 45 Cb -0.26 -4.41 0.08 0.00 0.00 0.00 0.00 23.12 18.53 2kcq s ALA 45 CO 0.32 -4.22 0.70 -0.08 0.00 0.00 0.00 175.76 172.48 2kcq s THR 46 N 9.18 0.00 0.00 0.00 -1.32 -1.25 -4.82 115.64 117.43 2kcq s THR 46 Ca 0.66 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.14 2kcq s THR 46 Cb -0.10 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 2kcq s THR 46 CO 0.11 0.00 0.00 -0.46 -2.21 0.00 0.00 174.62 172.06 2kcq n ASN 47 N 0.49 0.00 -2.38 8.08 0.23 -1.20 -4.78 115.26 115.70 2kcq n ASN 47 Ca -0.17 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 53.85 2kcq n ASN 47 Cb 0.59 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.27 2kcq n ASN 47 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2kcq n ARG 48 N -0.73 -4.50 0.00 -3.83 1.74 -1.26 -5.04 116.66 103.04 2kcq n ARG 48 Ca 0.00 3.37 0.00 0.00 -0.77 0.00 0.00 57.85 60.45 2kcq n ARG 48 Cb 0.00 -4.59 0.00 0.00 -1.02 0.00 0.00 32.46 26.85 2kcq n ARG 48 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2kcq n ARG 49 N 1.62 1.82 -3.05 5.56 1.85 -1.26 -5.10 116.66 118.10 2kcq n ARG 49 Ca -0.22 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.55 2kcq n ARG 49 Cb 0.34 -0.15 0.01 0.00 -1.05 0.00 0.00 32.46 31.60 2kcq n ARG 49 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2kcq n SER 50 N 0.00 -7.05 -4.89 2.89 7.64 -1.26 -5.02 113.62 105.94 2kcq n SER 50 Ca 0.00 0.64 -0.21 0.00 1.01 0.00 0.00 58.87 60.31 2kcq n SER 50 Cb 0.00 -3.36 -0.02 0.00 -1.01 0.00 0.00 64.21 59.82 2kcq n SER 50 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2kcq s GLU 51 N -1.72 2.49 0.00 1.43 -1.05 -1.26 -5.01 118.70 113.59 2kcq s GLU 51 Ca 0.11 -1.59 0.00 0.00 -0.15 0.00 0.00 54.97 53.34 2kcq s GLU 51 Cb -0.02 -2.36 0.00 0.00 -0.44 0.00 0.00 34.13 31.31 2kcq s GLU 51 CO 0.53 -0.27 0.00 0.00 0.95 0.00 0.00 175.26 176.47 2kcq n GLN 52 N -1.61 0.00 0.00 -4.83 10.64 -1.26 -5.09 117.38 115.23 2kcq n GLN 52 Ca 0.04 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 2kcq n GLN 52 Cb 0.62 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.00 2kcq n GLN 52 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2kcq n ARG 53 N -1.20 0.00 -3.58 2.61 1.74 -1.26 -5.09 116.66 109.88 2kcq n ARG 53 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 2kcq n ARG 53 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 2kcq n ARG 53 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2kcq s THR 54 N 0.00 4.16 -0.04 0.55 2.01 -1.26 -4.76 115.64 116.30 2kcq s THR 54 Ca 0.00 -1.69 0.24 0.00 0.31 0.00 0.00 61.69 60.55 2kcq s THR 54 Cb 0.00 -3.69 0.43 0.00 0.01 0.00 0.00 72.50 69.25 2kcq s THR 54 CO 0.00 -0.70 1.17 0.54 -0.69 0.00 0.00 174.62 174.95 2kcq n ARG 55 N 4.89 0.30 -2.91 4.92 5.12 -1.26 -5.00 116.66 122.74 2kcq n ARG 55 Ca -0.08 -2.25 -0.09 0.00 -1.93 0.00 0.00 57.85 53.50 2kcq n ARG 55 Cb 0.41 -0.29 0.01 0.00 -1.16 0.00 0.00 32.46 31.43 2kcq n ARG 55 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2kcq n ARG 56 N 0.24 -2.26 -2.43 5.56 1.74 -1.26 -4.94 116.66 113.32 2kcq n ARG 56 Ca 0.08 2.03 -0.40 0.00 -0.77 0.00 0.00 57.85 58.79 2kcq n ARG 56 Cb 1.08 -5.52 -0.04 0.00 -1.02 0.00 0.00 32.46 26.96 2kcq n ARG 56 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 2kcq s TYR 57 N -2.60 3.42 -0.22 -1.55 1.13 -1.26 -5.03 117.35 111.25 2kcq s TYR 57 Ca 0.23 1.65 0.01 0.00 -1.41 0.00 0.00 57.07 57.55 2kcq s TYR 57 Cb -0.06 -3.31 0.05 0.00 -1.10 0.00 0.00 41.96 37.54 2kcq s TYR 57 CO 0.77 -0.77 -0.09 -1.21 -2.51 0.00 0.00 175.55 171.74 2kcq s GLU 58 N -1.73 1.96 0.08 -3.49 2.02 -1.26 -5.05 118.70 111.23 2kcq s GLU 58 Ca 0.48 -0.96 -0.28 0.00 0.02 0.00 0.00 54.97 54.23 2kcq s GLU 58 Cb -0.31 -2.54 -0.13 0.00 0.10 0.00 0.00 34.13 31.25 2kcq s GLU 58 CO 0.40 -0.49 1.45 1.25 0.02 0.00 0.00 175.26 177.88 2kcq h LEU 59 N 7.94 -1.24 -6.94 1.80 5.85 -2.06 -3.16 115.31 117.49 2kcq h LEU 59 Ca -0.24 0.12 -0.73 0.00 0.84 0.00 0.00 57.88 57.87 2kcq h LEU 59 Cb 1.08 0.44 -0.33 0.00 0.37 0.00 0.00 40.66 42.22 2kcq h LEU 59 CO 0.46 -0.48 0.21 0.41 -0.34 0.00 0.00 178.44 178.70 2kcq n THR 60 N -4.89 3.98 -3.84 1.05 -1.04 -1.26 -4.90 114.28 103.37 2kcq n THR 60 Ca -0.08 -5.50 -0.28 0.00 -2.04 0.00 0.00 64.05 56.15 2kcq n THR 60 Cb 0.35 -2.23 -0.11 0.00 -1.82 0.00 0.00 70.33 66.52 2kcq n THR 60 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kcq n ALA 61 N 1.64 3.51 -0.00 2.41 0.00 -1.20 -4.48 120.51 122.39 2kcq n ALA 61 Ca 0.26 -4.57 -0.03 0.00 0.00 0.00 0.00 53.44 49.09 2kcq n ALA 61 Cb 0.37 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 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 1.82 1.40 0.00 0.00 -0.08 -1.26 -4.75 116.55 113.68 2kcq n ASP 62 Ca 0.21 0.21 -0.00 0.00 -1.51 0.00 0.00 54.79 53.70 2kcq n ASP 62 Cb 0.36 -0.48 -0.00 0.00 2.34 0.00 0.00 41.12 43.34 2kcq n ASP 62 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kcq n ASP 63 N -3.84 0.19 0.15 1.67 8.00 -1.26 -3.26 116.55 118.21 2kcq n ASP 63 Ca -0.06 0.03 -0.14 0.00 0.71 0.00 0.00 54.79 55.33 2kcq n ASP 63 Cb 0.20 -0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 41.07 2kcq n ASP 63 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2kcq h TYR 64 N -0.03 -0.30 -0.59 1.24 3.20 -1.95 -2.40 116.97 116.15 2kcq h TYR 64 Ca 0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.91 2kcq h TYR 64 Cb 0.03 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 2kcq h TYR 64 CO -0.01 -0.16 0.39 0.00 -1.64 0.00 0.00 178.16 176.74 2kcq h ARG 65 N -0.35 0.62 -0.41 1.82 2.47 -1.90 0.54 114.38 117.16 2kcq h ARG 65 Ca -0.03 -0.04 -0.14 0.00 -1.26 0.00 0.00 59.98 58.51 2kcq h ARG 65 Cb 0.27 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 2kcq h ARG 65 CO 0.05 0.41 -0.30 0.00 0.56 0.00 0.00 179.97 180.70 2kcq h ALA 66 N 1.67 0.69 -0.28 0.04 0.00 -1.77 0.15 119.26 119.76 2kcq h ALA 66 Ca 0.24 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 2kcq h ALA 66 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2kcq h ALA 66 CO -0.07 0.67 -0.40 0.00 0.00 0.00 0.00 179.25 179.45 2kcq h ALA 67 N 0.89 0.78 -0.13 0.00 0.00 -0.76 -2.65 119.26 117.38 2kcq h ALA 67 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kcq h ALA 67 Cb 0.87 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2kcq h ALA 67 CO 0.08 0.65 0.09 0.22 0.00 0.00 0.00 179.25 180.29 2kcq h ASP 68 N 0.54 0.15 0.06 0.00 3.58 0.37 0.24 116.42 121.36 2kcq h ASP 68 Ca 0.05 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.51 2kcq h ASP 68 Cb 0.93 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.91 2kcq h ASP 68 CO 0.08 0.11 -0.17 0.00 -2.88 0.00 0.00 179.24 176.38 2kcq h ALA 69 N 1.05 -0.25 -0.94 -0.78 0.00 -0.66 0.10 119.26 117.78 2kcq h ALA 69 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kcq h ALA 69 Cb -0.02 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2kcq h ALA 69 CO -0.01 -0.68 0.57 0.00 0.00 0.00 0.00 179.25 179.13 2kcq h ALA 70 N 0.56 1.25 -0.05 0.00 0.00 -1.34 -0.18 119.26 119.50 2kcq h ALA 70 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kcq h ALA 70 Cb 0.35 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kcq h ALA 70 CO -0.12 0.65 0.03 0.00 0.00 0.00 0.00 179.25 179.81 2kcq h ALA 71 N 1.34 0.06 -0.27 0.00 0.00 0.04 -1.16 119.26 119.27 2kcq h ALA 71 Ca 0.34 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 2kcq h ALA 71 Cb -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2kcq h ALA 71 CO -0.06 -0.45 -0.04 1.96 0.00 0.00 0.00 179.25 180.66 2kcq h GLN 72 N 0.06 0.42 -0.62 0.00 7.50 -0.45 0.47 115.11 122.49 2kcq h GLN 72 Ca 0.02 -0.09 -0.00 0.00 0.50 0.00 0.00 58.65 59.08 2kcq h GLN 72 Cb -0.00 -0.06 -0.03 0.00 0.05 0.00 0.00 27.48 27.43 2kcq h GLN 72 CO -0.01 0.48 0.37 0.93 -1.50 0.00 0.00 178.83 179.10 2kcq h GLU 73 N 0.40 0.85 0.05 1.46 4.39 -0.51 -3.00 114.58 118.22 2kcq h GLU 73 Ca 0.09 -0.08 -0.26 0.00 0.34 0.00 0.00 59.36 59.45 2kcq h GLU 73 Cb 0.33 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2kcq h GLU 73 CO 0.01 0.61 -1.07 1.96 -1.16 0.00 0.00 179.01 179.36 2kcq h GLN 74 N 0.84 0.50 0.00 2.33 7.50 -0.61 -3.48 115.11 122.19 2kcq h GLN 74 Ca 0.22 -0.60 0.00 0.00 0.50 0.00 0.00 58.65 58.77 2kcq h GLN 74 Cb -0.02 0.18 0.00 0.00 0.05 0.00 0.00 27.48 27.70 2kcq h GLN 74 CO -0.04 1.23 0.00 0.41 -1.50 0.00 0.00 178.83 178.93 2kcq n GLY 75 N 1.15 1.93 3.61 3.46 0.00 0.13 -5.11 105.19 110.36 2kcq n GLY 75 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 2kcq n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kcq s LEU 76 N 0.00 2.08 0.30 0.99 1.43 0.57 -4.98 118.68 119.07 2kcq s LEU 76 Ca 0.00 -1.70 0.03 0.00 -1.03 0.00 0.00 54.13 51.43 2kcq s LEU 76 Cb 0.00 -0.29 -0.04 0.00 0.03 0.00 0.00 46.19 45.89 2kcq s LEU 76 CO 0.00 -0.94 0.15 1.51 0.23 0.00 0.00 176.35 177.30 2kcq s ASP 77 N -3.71 1.58 -0.56 2.29 -4.77 -0.01 -3.60 116.67 107.89 2kcq s ASP 77 Ca 0.16 -1.54 -0.28 0.00 -3.30 0.00 0.00 52.55 47.59 2kcq s ASP 77 Cb 0.02 0.35 0.02 0.00 -1.09 0.00 0.00 42.92 42.23 2kcq s ASP 77 CO 0.10 -0.86 1.26 -0.69 0.70 0.00 0.00 175.17 175.68 2kcq s VAL 78 N -3.59 3.96 -2.35 2.11 1.01 -1.26 -0.89 120.40 119.38 2kcq s VAL 78 Ca 0.35 0.86 0.22 0.00 0.00 0.00 0.00 61.98 63.41 2kcq s VAL 78 Cb 0.05 -4.62 0.08 0.00 0.00 0.00 0.00 36.38 31.89 2kcq s VAL 78 CO 0.17 -1.25 1.12 1.33 0.00 0.00 0.00 175.10 176.47 2kcq n VAL 79 N 6.75 0.00 -4.01 2.92 0.24 -0.30 -4.98 118.33 118.95 2kcq n VAL 79 Ca 0.10 -0.38 0.02 0.00 -2.04 0.00 0.00 64.34 62.04 2kcq n VAL 79 Cb 0.49 1.35 0.00 0.00 -1.47 0.00 0.00 33.84 34.21 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 1.32 0.29 3.08 7.63 0.00 -1.19 -1.55 105.19 114.78 2kcq n GLY 80 Ca 0.11 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.00 0.38 -0.02 1.61 1.01 0.19 -0.01 120.40 121.55 2kcq s VAL 81 Ca 0.10 -1.53 0.03 0.00 0.00 0.00 0.00 61.98 60.59 2kcq s VAL 81 Cb -0.00 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 2kcq s VAL 81 CO -0.01 -0.75 -0.10 -0.72 0.00 0.00 0.00 175.10 173.52 2kcq s TYR 82 N -2.88 0.97 -0.04 5.22 -0.85 -0.89 -0.61 117.35 118.26 2kcq s TYR 82 Ca 0.00 -0.22 0.02 0.00 -0.52 0.00 0.00 57.07 56.36 2kcq s TYR 82 Cb 0.00 -0.66 0.01 0.00 0.38 0.00 0.00 41.96 41.69 2kcq s TYR 82 CO -0.05 -0.07 -0.10 -1.01 -1.52 0.00 0.00 175.55 172.80 2kcq s HIS 83 N 0.03 1.17 -0.06 -3.49 3.76 0.07 -3.46 115.29 113.30 2kcq s HIS 83 Ca -0.00 -0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 54.53 2kcq s HIS 83 Cb -0.07 -0.86 -0.03 0.00 1.11 0.00 0.00 32.58 32.73 2kcq s HIS 83 CO 0.00 -0.18 0.01 -1.54 -0.85 0.00 0.00 174.74 172.18 2kcq s SER 84 N 0.45 5.25 -0.10 1.40 1.04 -1.26 -1.87 113.70 118.62 2kcq s SER 84 Ca -0.09 0.12 -0.08 0.00 0.48 0.00 0.00 55.95 56.38 2kcq s SER 84 Cb -0.12 -1.46 -0.04 0.00 0.10 0.00 0.00 66.02 64.49 2kcq s SER 84 CO 0.02 0.35 0.18 -1.00 0.98 0.00 0.00 173.24 173.78 2kcq s HIS 85 N -0.94 3.62 -1.87 5.02 3.76 -0.60 -4.97 115.29 119.31 2kcq s HIS 85 Ca 0.15 0.60 0.20 0.00 -0.15 0.00 0.00 55.06 55.86 2kcq s HIS 85 Cb -0.11 -2.00 0.01 0.00 1.11 0.00 0.00 32.58 31.60 2kcq s HIS 85 CO 0.04 0.72 1.00 -0.35 -0.85 0.00 0.00 174.74 175.30 2kcq n PRO 86 N 1.94 1.50 0.04 8.40 -0.04 -1.26 -2.86 135.00 142.72 2kcq n PRO 86 Ca -0.19 -1.01 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 2kcq n PRO 86 Cb 0.55 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 2kcq n PRO 86 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kcq n ASP 87 N 0.09 0.24 -4.88 3.54 2.03 -1.26 -4.80 116.55 111.50 2kcq n ASP 87 Ca 0.08 0.13 -0.30 0.00 0.52 0.00 0.00 54.79 55.23 2kcq n ASP 87 Cb 0.42 -0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.81 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 -1.43 3.54 0.00 -0.67 3.76 -1.26 -5.08 115.29 114.14 2kcq s HIS 88 Ca 0.00 1.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.99 2kcq s HIS 88 Cb 0.00 -2.51 0.00 0.00 1.11 0.00 0.00 32.58 31.18 2kcq s HIS 88 CO 0.00 -0.34 0.00 -0.35 -0.85 0.00 0.00 174.74 173.20 2kcq n PRO 89 N -2.00 0.19 -0.42 8.40 -0.04 -1.26 -4.69 135.00 135.18 2kcq n PRO 89 Ca 0.03 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.38 2kcq n PRO 89 Cb 0.54 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.10 2kcq n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kcq n ALA 90 N -3.00 -1.30 -1.17 0.55 0.00 -1.26 -4.77 120.51 109.56 2kcq n ALA 90 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2kcq n ALA 90 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.41 2kcq n ALA 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kcq n ARG 91 N -2.77 -3.23 -2.38 0.00 3.00 -1.26 -4.91 116.66 105.10 2kcq n ARG 91 Ca 0.06 2.45 -0.41 0.00 -0.01 0.00 0.00 57.85 59.94 2kcq n ARG 91 Cb 0.23 -2.89 -0.04 0.00 0.00 0.00 0.00 32.46 29.76 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 -4.64 4.53 0.67 5.56 0.04 -1.26 -5.02 135.00 134.87 2kcq s PRO 92 Ca 0.00 1.89 -0.02 0.00 0.04 0.00 0.00 61.00 62.91 2kcq s PRO 92 Cb 0.00 -3.20 0.14 0.00 0.04 0.00 0.00 34.50 31.48 2kcq s PRO 92 CO 0.00 0.02 0.91 -1.13 0.04 0.00 0.00 177.00 176.84 2kcq n SER 93 N 1.77 1.03 -0.34 6.66 3.41 -1.26 -4.88 113.62 120.00 2kcq n SER 93 Ca 0.02 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 2kcq n SER 93 Cb 0.44 -0.61 0.14 0.00 -0.26 0.00 0.00 64.21 63.92 2kcq n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kcq h ALA 94 N -0.76 1.24 -0.34 7.33 0.00 -1.99 -0.99 119.26 123.75 2kcq h ALA 94 Ca -0.30 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2kcq h ALA 94 Cb 1.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2kcq h ALA 94 CO 0.30 0.42 -0.05 1.15 0.00 0.00 0.00 179.25 181.08 2kcq h THR 95 N 1.13 1.22 -0.55 0.00 2.02 -1.99 0.65 112.91 115.38 2kcq h THR 95 Ca 0.38 -0.90 -0.11 0.00 0.77 0.00 0.00 66.41 66.55 2kcq h THR 95 Cb 0.07 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2kcq h THR 95 CO -0.14 0.30 -0.08 0.44 0.37 0.00 0.00 175.52 176.41 2kcq h ASP 96 N 0.51 1.03 -0.79 4.18 3.32 -1.71 -1.88 116.42 121.09 2kcq h ASP 96 Ca 0.10 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 2kcq h ASP 96 Cb 0.41 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 2kcq h ASP 96 CO 0.02 1.13 0.37 0.25 -1.72 0.00 0.00 179.24 179.28 2kcq h LEU 97 N 0.91 1.04 -1.00 1.55 7.12 -0.55 -1.81 115.31 122.57 2kcq h LEU 97 Ca 0.15 -0.14 0.06 0.00 0.13 0.00 0.00 57.88 58.08 2kcq h LEU 97 Cb 0.65 -0.27 -0.07 0.00 -0.53 0.00 0.00 40.66 40.44 2kcq h LEU 97 CO 0.04 0.90 0.65 -0.33 -0.13 0.00 0.00 178.44 179.57 2kcq h GLU 98 N 1.12 1.15 0.00 1.25 5.08 -0.51 -1.42 114.58 121.26 2kcq h GLU 98 Ca 0.27 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2kcq h GLU 98 Cb 0.14 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2kcq h GLU 98 CO -0.03 0.76 0.00 0.93 -1.00 0.00 0.00 179.01 179.67 2kcq h GLU 99 N 1.19 0.00 -6.13 2.33 4.39 -0.91 -3.41 114.58 112.04 2kcq h GLU 99 Ca 0.43 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.55 2kcq h GLU 99 Cb 0.15 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.70 2kcq h GLU 99 CO -0.17 0.00 1.30 0.00 -1.16 0.00 0.00 179.01 178.98 2kcq s ALA 100 N -3.27 2.76 -0.09 3.43 0.00 -0.54 -4.68 121.76 119.37 2kcq s ALA 100 Ca 0.07 -1.98 0.13 0.00 0.00 0.00 0.00 51.96 50.18 2kcq s ALA 100 Cb 0.08 -4.40 0.20 0.00 0.00 0.00 0.00 23.12 18.99 2kcq s ALA 100 CO 0.61 -3.46 1.09 2.41 0.00 0.00 0.00 175.76 176.41 2kcq n THR 101 N 6.63 1.41 -3.86 0.00 -1.04 -1.26 -4.90 114.28 111.26 2kcq n THR 101 Ca 0.22 -1.66 -0.31 0.00 -2.04 0.00 0.00 64.05 60.25 2kcq n THR 101 Cb 0.50 0.01 -0.12 0.00 -1.82 0.00 0.00 70.33 68.91 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 -2.08 3.37 -1.45 -1.42 0.08 -1.26 -4.95 117.98 110.28 2kcq s PHE 102 Ca 0.22 -3.11 0.12 0.00 0.12 0.00 0.00 56.93 54.28 2kcq s PHE 102 Cb 0.19 -2.91 0.60 0.00 -0.57 0.00 0.00 43.02 40.32 2kcq s PHE 102 CO 0.02 -0.72 1.28 -2.30 -0.10 0.00 0.00 175.22 173.40 2kcq n PRO 103 N 2.87 0.17 -0.31 0.24 -0.02 -1.26 -1.77 135.00 134.93 2kcq n PRO 103 Ca 0.10 0.17 0.09 0.00 -2.02 0.00 0.00 63.50 61.84 2kcq n PRO 103 Cb 0.34 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.54 2kcq n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kcq n GLY 104 N -0.29 4.35 3.39 -1.23 0.00 -1.26 -4.52 105.19 105.64 2kcq n GLY 104 Ca 0.06 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.84 2.32 -0.13 1.61 0.40 -0.73 -4.87 117.98 113.73 2kcq s PHE 105 Ca 0.38 -0.38 -0.17 0.00 -0.60 0.00 0.00 56.93 56.16 2kcq s PHE 105 Cb 0.32 -1.27 -0.04 0.00 0.51 0.00 0.00 43.02 42.54 2kcq s PHE 105 CO 0.07 0.32 0.45 0.99 0.70 0.00 0.00 175.22 177.74 2kcq s THR 106 N -1.04 5.20 -0.32 0.64 2.01 -0.60 -4.37 115.64 117.17 2kcq s THR 106 Ca 0.14 0.88 -0.09 0.00 0.31 0.00 0.00 61.69 62.93 2kcq s THR 106 Cb -0.10 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.63 2kcq s THR 106 CO 0.06 0.32 0.14 -0.31 -0.69 0.00 0.00 174.62 174.14 2kcq s TYR 107 N 0.69 3.18 -0.27 4.92 2.02 -0.56 -0.64 117.35 126.70 2kcq s TYR 107 Ca 0.24 -0.79 -0.14 0.00 -0.37 0.00 0.00 57.07 56.01 2kcq s TYR 107 Cb -0.15 -2.34 -0.04 0.00 -0.40 0.00 0.00 41.96 39.04 2kcq s TYR 107 CO 0.09 -0.54 0.35 0.08 -1.57 0.00 0.00 175.55 173.96 2kcq s VAL 108 N 1.56 5.20 -0.24 0.71 1.01 0.22 0.22 120.40 129.07 2kcq s VAL 108 Ca 0.03 0.52 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 2kcq s VAL 108 Cb -0.18 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 2kcq s VAL 108 CO 0.05 0.18 -0.00 -0.63 0.00 0.00 0.00 175.10 174.70 2kcq s ILE 109 N 1.96 3.60 -0.07 2.22 -1.09 0.01 -0.75 121.20 127.08 2kcq s ILE 109 Ca 0.14 -0.53 0.04 0.00 -2.23 0.00 0.00 60.65 58.07 2kcq s ILE 109 Cb -0.16 -2.71 0.00 0.00 -1.58 0.00 0.00 42.46 38.01 2kcq s ILE 109 CO 0.10 0.32 -0.19 0.54 -1.23 0.00 0.00 174.94 174.48 2kcq s VAL 110 N 1.49 1.62 -0.44 2.92 0.11 -0.78 -1.61 120.40 123.70 2kcq s VAL 110 Ca 0.05 -0.79 -0.16 0.00 -2.93 0.00 0.00 61.98 58.15 2kcq s VAL 110 Cb -0.15 -1.40 0.05 0.00 -1.53 0.00 0.00 36.38 33.34 2kcq s VAL 110 CO -0.01 0.46 0.38 -0.55 -3.33 0.00 0.00 175.10 172.05 2kcq s SER 111 N 0.24 6.14 -0.28 3.54 0.15 0.15 -1.56 113.70 122.09 2kcq s SER 111 Ca -0.10 -1.06 -0.07 0.00 0.70 0.00 0.00 55.95 55.42 2kcq s SER 111 Cb -0.15 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2kcq s SER 111 CO 0.05 -0.58 0.07 -0.69 1.20 0.00 0.00 173.24 173.29 2kcq s VAL 112 N 1.77 3.94 -1.20 4.45 1.01 -1.13 0.34 120.40 129.57 2kcq s VAL 112 Ca 0.06 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 2kcq s VAL 112 Cb -0.21 -2.99 0.20 0.00 0.00 0.00 0.00 36.38 33.38 2kcq s VAL 112 CO 0.09 0.14 2.10 -1.14 0.00 0.00 0.00 175.10 176.30 2kcq n ARG 113 N 4.86 4.83 -2.98 2.72 0.63 0.25 -4.46 116.66 122.51 2kcq n ARG 113 Ca -0.15 -3.96 -0.12 0.00 -0.92 0.00 0.00 57.85 52.70 2kcq n ARG 113 Cb 0.49 -2.59 0.01 0.00 0.45 0.00 0.00 32.46 30.82 2kcq n ARG 113 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2kcq n ASP 114 N 1.22 -7.42 0.00 6.15 2.03 -1.26 -3.32 116.55 113.95 2kcq n ASP 114 Ca 0.53 0.56 0.00 0.00 0.52 0.00 0.00 54.79 56.40 2kcq n ASP 114 Cb 0.26 -4.44 0.00 0.00 -0.72 0.00 0.00 41.12 36.22 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 -0.00 2.55 3.37 0.27 0.00 -1.26 -4.95 105.19 105.18 2kcq n GLY 115 Ca 0.05 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.86 3.48 -0.34 4.61 0.00 -1.21 -4.91 121.76 122.53 2kcq s ALA 116 Ca 0.00 -2.05 -0.29 0.00 0.00 0.00 0.00 51.96 49.63 2kcq s ALA 116 Cb 0.00 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 2kcq s ALA 116 CO 0.00 -1.66 1.70 -2.14 0.00 0.00 0.00 175.76 173.66 2kcq s PRO 117 N 1.60 3.42 -0.00 0.00 0.02 -1.26 0.86 135.00 139.63 2kcq s PRO 117 Ca 0.04 1.32 -0.00 0.00 0.02 0.00 0.00 61.00 62.38 2kcq s PRO 117 Cb -0.23 -4.15 -0.00 0.00 0.02 0.00 0.00 34.50 30.14 2kcq s PRO 117 CO 0.06 -1.76 0.49 1.49 -0.33 0.00 0.00 177.00 176.96 2kcq h GLU 118 N 12.24 -0.01 -2.49 5.54 4.81 -0.48 -3.48 114.58 130.71 2kcq h GLU 118 Ca -0.32 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.82 2kcq h GLU 118 Cb 1.15 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.29 2kcq h GLU 118 CO 1.04 -0.01 -0.19 0.00 -0.73 0.00 0.00 179.01 179.12 2kcq s ALA 119 N -3.03 -1.26 -0.02 2.92 0.00 -1.19 -5.00 121.76 114.18 2kcq s ALA 119 Ca -0.00 1.67 0.08 0.00 0.00 0.00 0.00 51.96 53.70 2kcq s ALA 119 Cb 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 2kcq s ALA 119 CO 0.01 -0.28 -0.25 -0.48 0.00 0.00 0.00 175.76 174.75 2kcq s LEU 120 N 1.13 2.08 0.07 0.00 -0.00 -1.26 -0.67 118.68 120.01 2kcq s LEU 120 Ca -0.07 -0.46 -0.13 0.00 -0.00 0.00 0.00 54.13 53.47 2kcq s LEU 120 Cb -0.06 -1.35 0.02 0.00 -0.00 0.00 0.00 46.19 44.79 2kcq s LEU 120 CO -0.10 0.32 0.29 -0.89 -0.00 0.00 0.00 176.35 175.96 2kcq s THR 121 N -0.59 0.09 -0.13 5.48 2.01 -0.63 -4.99 115.64 116.89 2kcq s THR 121 Ca 0.09 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 2kcq s THR 121 Cb -0.10 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 2kcq s THR 121 CO -0.01 -0.43 -0.05 0.00 -0.69 0.00 0.00 174.62 173.45 2kcq s ALA 122 N -3.03 3.00 0.08 7.40 0.00 -1.26 -0.81 121.76 127.13 2kcq s ALA 122 Ca -0.02 -0.84 0.10 0.00 0.00 0.00 0.00 51.96 51.20 2kcq s ALA 122 Cb 0.01 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 2kcq s ALA 122 CO -0.06 0.34 -0.26 -1.58 0.00 0.00 0.00 175.76 174.20 2kcq s TRP 123 N -0.05 2.33 -0.20 0.00 0.52 0.13 -3.84 118.94 117.83 2kcq s TRP 123 Ca 0.01 -0.39 -0.08 0.00 0.02 0.00 0.00 56.10 55.66 2kcq s TRP 123 Cb -0.13 -1.34 -0.04 0.00 -1.15 0.00 0.00 33.47 30.81 2kcq s TRP 123 CO 0.03 0.22 0.07 0.00 0.02 0.00 0.00 176.95 177.29 2kcq s ALA 124 N -0.91 3.35 0.11 0.98 0.00 -0.58 -1.50 121.76 123.21 2kcq s ALA 124 Ca 0.13 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 2kcq s ALA 124 Cb -0.10 -1.99 -0.06 0.00 0.00 0.00 0.00 23.12 20.97 2kcq s ALA 124 CO 0.04 -0.02 0.91 -1.17 0.00 0.00 0.00 175.76 175.52 2kcq s LEU 125 N 0.75 4.51 0.12 0.00 2.96 -1.26 -0.76 118.68 125.00 2kcq s LEU 125 Ca 0.04 1.73 -0.31 0.00 -0.22 0.00 0.00 54.13 55.37 2kcq s LEU 125 Cb -0.13 -3.51 -0.11 0.00 0.50 0.00 0.00 46.19 42.94 2kcq s LEU 125 CO 0.02 -0.02 1.83 0.00 -1.32 0.00 0.00 176.35 176.86 2kcq n ALA 126 N 2.64 2.18 0.30 5.97 0.00 -0.10 -4.85 120.51 126.65 2kcq n ALA 126 Ca 0.01 0.32 0.19 0.00 0.00 0.00 0.00 53.44 53.95 2kcq n ALA 126 Cb 0.49 -2.59 0.97 0.00 0.00 0.00 0.00 19.45 18.33 2kcq n ALA 126 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2kcq h PRO 127 N 8.47 0.00 -0.00 0.00 0.13 -1.90 0.54 132.00 139.23 2kcq h PRO 127 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kcq h PRO 127 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kcq h PRO 127 CO 0.95 0.00 -0.03 -3.47 -0.23 0.00 0.00 178.00 175.22 2kcq n ASP 128 N -3.26 0.39 -2.69 1.44 2.03 -1.26 -4.86 116.55 108.33 2kcq n ASP 128 Ca -0.01 -0.85 -0.18 0.00 0.52 0.00 0.00 54.79 54.26 2kcq n ASP 128 Cb 0.25 -0.06 0.05 0.00 -0.72 0.00 0.00 41.12 40.63 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 -0.82 -5.10 -0.10 -0.67 1.74 0.19 -4.95 116.66 106.95 2kcq n ARG 129 Ca 0.19 0.69 -0.18 0.00 -0.77 0.00 0.00 57.85 57.78 2kcq n ARG 129 Cb 0.22 -5.20 -0.09 0.00 -1.02 0.00 0.00 32.46 26.37 2kcq n ARG 129 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2kcq n SER 130 N -1.86 1.85 -2.06 0.55 7.64 -1.26 -5.02 113.62 113.47 2kcq n SER 130 Ca -0.04 0.47 -0.03 0.00 1.01 0.00 0.00 58.87 60.27 2kcq n SER 130 Cb 0.57 -0.94 0.01 0.00 -1.01 0.00 0.00 64.21 62.85 2kcq n SER 130 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2kcq n GLU 131 N -4.47 0.50 -4.06 1.43 0.28 -1.26 -5.03 120.64 108.03 2kcq n GLU 131 Ca -0.28 -1.03 -0.31 0.00 -0.16 0.00 0.00 57.16 55.39 2kcq n GLU 131 Cb 0.60 1.32 -0.07 0.00 1.43 0.00 0.00 31.44 34.72 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 -4.78 3.18 0.09 -1.84 0.08 -1.26 -0.93 117.98 112.52 2kcq s PHE 132 Ca 0.10 0.08 0.06 0.00 0.12 0.00 0.00 56.93 57.30 2kcq s PHE 132 Cb -0.02 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 40.77 2kcq s PHE 132 CO 0.05 0.52 -0.17 -1.01 -0.10 0.00 0.00 175.22 174.51 2kcq s HIS 133 N -1.36 1.47 0.25 0.36 3.76 0.06 -4.93 115.29 114.90 2kcq s HIS 133 Ca 0.28 -0.45 -0.30 0.00 -0.15 0.00 0.00 55.06 54.44 2kcq s HIS 133 Cb -0.12 -0.81 -0.09 0.00 1.11 0.00 0.00 32.58 32.67 2kcq s HIS 133 CO 0.21 0.13 1.02 0.50 -0.85 0.00 0.00 174.74 175.75 2kcq s ARG 134 N -1.94 4.75 0.04 1.40 6.06 -1.26 -1.53 118.95 126.47 2kcq s ARG 134 Ca 0.03 1.63 0.01 0.00 -2.50 0.00 0.00 55.73 54.90 2kcq s ARG 134 Cb -0.09 -3.24 -0.03 0.00 0.06 0.00 0.00 34.95 31.65 2kcq s ARG 134 CO 0.03 0.36 -0.05 -2.00 -2.50 0.00 0.00 175.30 171.14 2kcq s GLU 135 N -1.22 0.47 0.07 5.12 2.12 -1.25 -4.88 118.70 119.13 2kcq s GLU 135 Ca 0.43 -0.81 -0.23 0.00 0.36 0.00 0.00 54.97 54.73 2kcq s GLU 135 Cb -0.29 -0.04 -0.06 0.00 0.26 0.00 0.00 34.13 34.00 2kcq s GLU 135 CO 0.36 -0.02 0.69 -0.51 -0.54 0.00 0.00 175.26 175.23 2kcq s ASP 136 N -1.84 7.17 -0.34 -1.70 1.01 -1.26 -4.72 116.67 114.99 2kcq s ASP 136 Ca -0.08 1.39 -0.24 0.00 0.71 0.00 0.00 52.55 54.33 2kcq s ASP 136 Cb -0.06 -2.43 0.01 0.00 1.01 0.00 0.00 42.92 41.45 2kcq s ASP 136 CO -0.02 0.14 0.83 -0.63 0.21 0.00 0.00 175.17 175.70 2kcq s ILE 137 N -0.58 4.71 0.19 0.77 1.01 -1.26 -3.20 121.20 122.84 2kcq s ILE 137 Ca 0.34 1.10 0.08 0.00 0.00 0.00 0.00 60.65 62.17 2kcq s ILE 137 Cb -0.20 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 2kcq s ILE 137 CO 0.22 -0.40 -0.03 -0.69 0.00 0.00 0.00 174.94 174.04 2kcq s VAL 138 N 3.16 3.48 0.42 2.92 1.01 0.51 -4.98 120.40 126.92 2kcq s VAL 138 Ca 0.34 -1.60 -0.23 0.00 0.00 0.00 0.00 61.98 60.49 2kcq s VAL 138 Cb -0.13 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.39 2kcq s VAL 138 CO 0.16 -0.16 1.00 -0.13 0.00 0.00 0.00 175.10 175.96 2kcq s ARG 139 N -3.05 4.16 0.30 2.72 0.52 -1.25 -0.43 118.95 121.92 2kcq s ARG 139 Ca 0.27 1.33 -0.30 0.00 -0.52 0.00 0.00 55.73 56.52 2kcq s ARG 139 Cb -0.09 -2.37 -0.11 0.00 0.52 0.00 0.00 34.95 32.91 2kcq s ARG 139 CO 0.18 -0.11 1.56 -2.14 0.02 0.00 0.00 175.30 174.80 2kcq s PRO 140 N -2.81 4.14 0.01 3.54 0.02 -1.25 -4.70 135.00 133.95 2kcq s PRO 140 Ca 0.60 2.54 -0.30 0.00 0.02 0.00 0.00 61.00 63.86 2kcq s PRO 140 Cb -0.16 -3.03 -0.07 0.00 0.02 0.00 0.00 34.50 31.26 2kcq s PRO 140 CO 0.21 -0.59 1.76 -0.51 -0.33 0.00 0.00 177.00 177.54 2kcq s ASP 141 N 0.39 6.58 -0.02 2.53 1.01 -1.26 -4.85 116.67 121.04 2kcq s ASP 141 Ca 0.61 2.45 0.02 0.00 0.71 0.00 0.00 52.55 56.34 2kcq s ASP 141 Cb -0.47 -2.54 0.08 0.00 1.01 0.00 0.00 42.92 41.01 2kcq s ASP 141 CO 0.49 -0.96 0.78 -0.81 0.21 0.00 0.00 175.17 174.88 2kcq n PRO 142 N 6.87 1.35 -3.41 8.23 -0.04 -1.26 -4.29 135.00 142.44 2kcq n PRO 142 Ca 0.18 -0.33 -0.21 0.00 -0.04 0.00 0.00 63.50 63.10 2kcq n PRO 142 Cb 0.42 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 2kcq n PRO 142 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2kcq s GLU 143 N -1.43 0.49 -0.03 0.54 2.02 -1.26 -5.12 118.70 113.92 2kcq s GLU 143 Ca 0.06 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.30 2kcq s GLU 143 Cb 0.04 -0.88 0.03 0.00 0.10 0.00 0.00 34.13 33.42 2kcq s GLU 143 CO 0.02 -1.14 0.01 0.00 0.02 0.00 0.00 175.26 174.18 2kcq s ALA 144 N 1.66 0.23 0.14 5.21 0.00 -1.26 -5.13 121.76 122.61 2kcq s ALA 144 Ca 0.14 0.21 -0.31 0.00 0.00 0.00 0.00 51.96 52.01 2kcq s ALA 144 Cb -0.17 -0.29 -0.08 0.00 0.00 0.00 0.00 23.12 22.58 2kcq s ALA 144 CO -0.13 -0.08 1.37 -2.14 0.00 0.00 0.00 175.76 174.78 2kcq s PRO 145 N 1.01 4.34 -0.18 0.00 0.02 -1.26 -4.95 135.00 133.98 2kcq s PRO 145 Ca -0.10 2.08 -0.16 0.00 0.02 0.00 0.00 61.00 62.84 2kcq s PRO 145 Cb -0.13 -3.23 -0.21 0.00 0.02 0.00 0.00 34.50 30.95 2kcq s PRO 145 CO -0.02 -0.39 0.25 1.28 -0.33 0.00 0.00 177.00 177.80 2kcq n LEU 146 N 3.51 2.14 -3.46 -5.54 4.77 -1.26 -4.37 117.00 112.79 2kcq n LEU 146 Ca 0.10 0.34 -0.40 0.00 -0.03 0.00 0.00 56.01 56.02 2kcq n LEU 146 Cb 0.42 -1.02 -0.01 0.00 -2.33 0.00 0.00 43.42 40.48 2kcq n LEU 146 CO 0.58 0.49 2.62 -1.84 -1.33 0.00 0.00 177.39 177.91 2kcq n GLU 147 N -4.09 4.33 -1.91 3.23 0.28 -1.26 -4.96 120.64 116.26 2kcq n GLU 147 Ca -0.33 -3.17 -0.41 0.00 -0.16 0.00 0.00 57.16 53.09 2kcq n GLU 147 Cb 0.82 -2.69 -0.01 0.00 1.43 0.00 0.00 31.44 30.99 2kcq n GLU 147 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 2kcq s HIS 148 N -0.28 2.79 -1.28 -1.84 -3.43 -1.26 -4.86 115.29 105.13 2kcq s HIS 148 Ca 0.57 1.15 -0.17 0.00 -0.80 0.00 0.00 55.06 55.81 2kcq s HIS 148 Cb 0.18 -3.91 0.01 0.00 -1.43 0.00 0.00 32.58 27.42 2kcq s HIS 148 CO -0.08 -2.74 2.00 1.58 -2.00 0.00 0.00 174.74 173.50 2kcq n HIS 149 N 1.08 3.56 -2.74 0.38 -0.00 -1.26 -4.30 115.22 111.94 2kcq n HIS 149 Ca 0.03 -2.60 -0.08 0.00 0.46 0.00 0.00 57.72 55.52 2kcq n HIS 149 Cb 0.40 -2.46 0.07 0.00 -0.12 0.00 0.00 29.99 27.88 2kcq n HIS 149 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kcq n HIS 150 N 7.88 -2.97 -2.25 1.57 -0.00 -1.26 -5.07 115.22 113.11 2kcq n HIS 150 Ca 0.50 -1.93 -0.42 0.00 -0.00 0.00 0.00 57.72 55.87 2kcq n HIS 150 Cb 0.42 1.59 -0.00 0.00 -0.00 0.00 0.00 29.99 32.00 2kcq n HIS 150 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kcq n HIS 151 N 0.89 4.14 -4.09 1.57 8.25 -1.26 -4.92 115.22 119.79 2kcq n HIS 151 Ca 0.07 -2.78 -0.35 0.00 -0.26 0.00 0.00 57.72 54.40 2kcq n HIS 151 Cb 0.67 -2.59 -0.11 0.00 1.12 0.00 0.00 29.99 29.09 2kcq n HIS 151 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kcq s HIS 152 N 4.30 3.16 0.00 4.41 2.46 -1.26 -5.26 115.29 123.09 2kcq s HIS 152 Ca 0.53 -0.11 0.00 0.00 0.47 0.00 0.00 55.06 55.95 2kcq s HIS 152 Cb 0.07 -2.06 0.00 0.00 -0.13 0.00 0.00 32.58 30.46 2kcq s HIS 152 CO 0.03 0.02 0.00 -2.39 -2.47 0.00 0.00 174.74 169.94