#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 2.14 -0.04 2.12 3.01 0.43 -3.10 119.74 124.29 2kcq s LYS 2 Ca 0.00 -0.94 -0.26 0.00 -1.01 0.00 0.00 55.97 53.76 2kcq s LYS 2 Cb 0.00 -2.22 0.06 0.00 -1.01 0.00 0.00 37.83 34.65 2kcq s LYS 2 CO 0.00 0.55 0.57 -0.08 0.51 0.00 0.00 175.35 176.91 2kcq s THR 3 N -0.91 0.02 0.38 2.17 -1.32 -1.17 -1.18 115.64 113.62 2kcq s THR 3 Ca 0.14 -0.13 -0.21 0.00 -1.21 0.00 0.00 61.69 60.28 2kcq s THR 3 Cb -0.11 -0.89 -0.10 0.00 -1.51 0.00 0.00 72.50 69.89 2kcq s THR 3 CO 0.05 -0.07 0.89 0.42 -2.21 0.00 0.00 174.62 173.70 2kcq s THR 4 N -1.22 4.42 0.55 5.08 -4.23 -1.26 -3.66 115.64 115.34 2kcq s THR 4 Ca -0.12 1.43 0.23 0.00 -1.18 0.00 0.00 61.69 62.06 2kcq s THR 4 Cb -0.02 -3.69 0.31 0.00 1.34 0.00 0.00 72.50 70.45 2kcq s THR 4 CO 0.08 -0.18 2.20 1.55 -0.54 0.00 0.00 174.62 177.73 2kcq h PRO 5 N 2.28 0.00 -0.21 3.99 0.13 -1.98 -0.97 132.00 135.25 2kcq h PRO 5 Ca -0.48 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.69 2kcq h PRO 5 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2kcq h PRO 5 CO 0.63 0.01 -0.03 0.22 -0.23 0.00 0.00 178.00 178.59 2kcq h ASP 6 N 0.00 -0.15 -0.24 1.44 1.82 -1.99 0.54 116.42 117.84 2kcq h ASP 6 Ca -0.00 0.06 -0.06 0.00 -0.39 0.00 0.00 57.03 56.63 2kcq h ASP 6 Cb 0.01 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 2kcq h ASP 6 CO 0.00 -0.05 -0.10 0.40 -1.61 0.00 0.00 179.24 177.89 2kcq h ILE 7 N 0.03 1.30 -0.79 2.25 1.08 -1.61 -2.31 117.51 117.45 2kcq h ILE 7 Ca 0.10 -1.15 0.05 0.00 -0.39 0.00 0.00 64.86 63.47 2kcq h ILE 7 Cb 0.14 1.55 -0.06 0.00 -3.07 0.00 0.00 36.82 35.38 2kcq h ILE 7 CO -0.19 0.36 0.48 -0.07 -0.69 0.00 0.00 178.15 178.04 2kcq h LEU 8 N 0.21 0.76 -0.49 1.44 3.38 -1.02 0.10 115.31 119.69 2kcq h LEU 8 Ca 0.06 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 2kcq h LEU 8 Cb 0.58 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2kcq h LEU 8 CO 0.03 0.50 -0.35 -0.78 0.09 0.00 0.00 178.44 177.93 2kcq h ASP 9 N 0.90 0.91 -0.77 -0.43 3.58 -0.87 -2.35 116.42 117.39 2kcq h ASP 9 Ca 0.34 -0.39 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 2kcq h ASP 9 Cb 0.14 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.90 2kcq h ASP 9 CO -0.16 1.16 0.41 1.56 -2.88 0.00 0.00 179.24 179.33 2kcq h GLN 10 N 0.71 1.09 -0.04 0.28 4.20 -0.75 -1.82 115.11 118.77 2kcq h GLN 10 Ca 0.07 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2kcq h GLN 10 Cb 0.91 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 2kcq h GLN 10 CO 0.08 0.81 0.02 0.82 -0.67 0.00 0.00 178.83 179.89 2kcq h ILE 11 N 1.09 1.16 -0.59 2.54 2.04 -0.52 0.38 117.51 123.60 2kcq h ILE 11 Ca 0.27 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 2kcq h ILE 11 Cb 0.05 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2kcq h ILE 11 CO -0.04 0.13 0.16 0.08 0.00 0.00 0.00 178.15 178.48 2kcq h ARG 12 N -0.11 0.90 -0.39 2.37 0.11 -1.32 0.27 114.38 116.20 2kcq h ARG 12 Ca 0.01 -0.18 -0.15 0.00 0.10 0.00 0.00 59.98 59.76 2kcq h ARG 12 Cb 0.20 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 2kcq h ARG 12 CO -0.00 0.80 -0.34 0.28 0.10 0.00 0.00 179.97 180.80 2kcq h VAL 13 N 0.87 1.27 -0.64 0.08 2.07 -1.21 -2.91 116.25 115.79 2kcq h VAL 13 Ca 0.19 -1.51 0.05 0.00 0.82 0.00 0.00 66.70 66.25 2kcq h VAL 13 Cb 0.29 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2kcq h VAL 13 CO -0.00 0.51 0.42 -0.74 0.02 0.00 0.00 177.57 177.78 2kcq h HIS 14 N 0.74 0.68 -0.08 1.57 -0.00 0.46 0.16 115.15 118.69 2kcq h HIS 14 Ca 0.07 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 2kcq h HIS 14 Cb 0.93 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 28.11 2kcq h HIS 14 CO 0.06 0.38 0.04 0.78 -0.00 0.00 0.00 177.93 179.20 2kcq h GLY 15 N 0.69 0.11 2.00 5.26 0.00 -0.78 0.65 103.07 111.02 2kcq h GLY 15 Ca 0.27 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 2kcq h GLY 15 CO -0.08 0.05 -0.40 0.00 0.00 0.00 0.00 176.54 176.11 2kcq h ALA 16 N 0.97 1.00 -0.05 3.60 0.00 -1.28 -1.54 119.26 121.96 2kcq h ALA 16 Ca 0.03 -0.37 -0.24 0.00 0.00 0.00 0.00 54.91 54.33 2kcq h ALA 16 Cb 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2kcq h ALA 16 CO -0.00 0.50 -0.92 0.22 0.00 0.00 0.00 179.25 179.05 2kcq h ASP 17 N 0.00 0.83 0.58 0.00 3.58 -0.42 -3.31 116.42 117.68 2kcq h ASP 17 Ca -0.00 -0.62 -0.28 0.00 0.42 0.00 0.00 57.03 56.55 2kcq h ASP 17 Cb 0.91 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 2kcq h ASP 17 CO 0.05 1.41 -1.39 0.00 -2.88 0.00 0.00 179.24 176.44 2kcq h ALA 18 N 0.55 0.27 -2.32 -0.78 0.00 -0.82 -3.47 119.26 112.69 2kcq h ALA 18 Ca -0.09 -1.05 -0.50 0.00 0.00 0.00 0.00 54.91 53.27 2kcq h ALA 18 Cb 1.56 0.16 0.14 0.00 0.00 0.00 0.00 17.79 19.65 2kcq h ALA 18 CO 0.18 1.14 0.28 0.71 0.00 0.00 0.00 179.25 181.56 2kcq s TYR 19 N -2.64 2.43 -1.53 0.00 1.51 -0.59 -2.55 117.35 113.98 2kcq s TYR 19 Ca -0.06 1.42 0.13 0.00 -1.01 0.00 0.00 57.07 57.56 2kcq s TYR 19 Cb 0.07 -3.11 0.68 0.00 -0.11 0.00 0.00 41.96 39.50 2kcq s TYR 19 CO 0.85 -2.11 1.32 -2.30 -1.11 0.00 0.00 175.55 172.20 2kcq n PRO 20 N -3.72 0.23 -2.44 -1.71 -0.02 -1.26 -4.89 135.00 121.19 2kcq n PRO 20 Ca 0.08 0.14 -0.41 0.00 -2.02 0.00 0.00 63.50 61.29 2kcq n PRO 20 Cb 0.54 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.48 2kcq n PRO 20 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2kcq s GLU 21 N -2.47 4.54 -0.98 -0.52 2.02 -1.06 -4.94 118.70 115.29 2kcq s GLU 21 Ca 0.14 1.81 -0.23 0.00 0.02 0.00 0.00 54.97 56.70 2kcq s GLU 21 Cb 0.09 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 31.07 2kcq s GLU 21 CO 0.19 -0.00 1.70 -1.21 0.02 0.00 0.00 175.26 175.96 2kcq s GLU 22 N -0.39 3.10 -0.38 1.61 8.01 -1.26 -4.73 118.70 124.66 2kcq s GLU 22 Ca 0.51 -0.78 -0.29 0.00 0.01 0.00 0.00 54.97 54.42 2kcq s GLU 22 Cb -0.31 -5.23 0.00 0.00 -4.31 0.00 0.00 34.13 24.28 2kcq s GLU 22 CO 0.36 -2.80 1.48 0.20 0.01 0.00 0.00 175.26 174.52 2kcq s GLY 23 N 6.37 1.07 0.60 -1.39 0.00 -1.26 -4.91 107.32 107.80 2kcq s GLY 23 Ca 0.58 -0.04 0.09 0.00 0.00 0.00 0.00 44.72 45.35 2kcq s GLY 23 CO -0.04 2.85 0.83 0.00 0.00 0.00 0.00 173.10 176.74 2kcq n GLY 25 N -2.24 -0.56 3.25 0.00 0.00 -1.22 -2.16 105.19 102.26 2kcq n GLY 25 Ca 0.17 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.20 1.25 -0.09 1.61 0.40 -0.86 -2.85 117.98 114.24 2kcq s PHE 26 Ca 0.00 -1.04 0.02 0.00 -0.60 0.00 0.00 56.93 55.31 2kcq s PHE 26 Cb 0.00 -0.72 -0.02 0.00 0.51 0.00 0.00 43.02 42.80 2kcq s PHE 26 CO 0.00 -0.23 -0.15 -0.51 0.70 0.00 0.00 175.22 175.03 2kcq s LEU 27 N -3.19 2.64 0.03 -0.37 1.43 0.97 -1.67 118.68 118.52 2kcq s LEU 27 Ca 0.26 -0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.12 2kcq s LEU 27 Cb 0.06 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 2kcq s LEU 27 CO 0.05 0.24 -0.18 -0.76 0.23 0.00 0.00 176.35 175.93 2kcq s LEU 28 N -0.10 2.60 0.00 1.79 1.43 -0.02 -1.41 118.68 122.97 2kcq s LEU 28 Ca -0.02 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2kcq s LEU 28 Cb -0.14 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.57 2kcq s LEU 28 CO 0.04 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.49 2kcq n GLY 29 N 1.65 -0.68 3.41 -3.19 0.00 -1.08 -0.74 105.19 104.56 2kcq n GLY 29 Ca -0.16 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.69 2.46 -0.42 2.61 -4.23 0.06 -3.36 115.64 109.07 2kcq s THR 30 Ca 0.00 -1.41 -0.17 0.00 -1.18 0.00 0.00 61.69 58.92 2kcq s THR 30 Cb 0.00 -2.03 0.02 0.00 1.34 0.00 0.00 72.50 71.83 2kcq s THR 30 CO 0.00 0.27 0.45 -0.69 -0.54 0.00 0.00 174.62 174.11 2kcq s VAL 31 N -0.94 5.07 0.29 2.29 1.01 -1.26 -1.05 120.40 125.81 2kcq s VAL 31 Ca 0.14 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2kcq s VAL 31 Cb -0.10 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 2kcq s VAL 31 CO 0.05 -0.42 1.37 -0.89 0.00 0.00 0.00 175.10 175.20 2kcq s THR 32 N 2.19 2.69 0.56 3.92 2.01 -1.26 -4.89 115.64 120.85 2kcq s THR 32 Ca 0.13 0.63 0.36 0.00 0.31 0.00 0.00 61.69 63.12 2kcq s THR 32 Cb -0.17 -3.40 0.39 0.00 0.01 0.00 0.00 72.50 69.32 2kcq s THR 32 CO 0.14 0.13 2.26 -0.78 -0.69 0.00 0.00 174.62 175.68 2kcq h ASP 33 N 4.11 0.00 1.31 3.53 3.58 -2.02 0.16 116.42 127.10 2kcq h ASP 33 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2kcq h ASP 33 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2kcq h ASP 33 CO 0.71 0.02 0.00 0.44 -2.88 0.00 0.00 179.24 177.53 2kcq h ASP 34 N 0.00 0.00 0.00 2.28 3.32 -2.04 -3.46 116.42 116.52 2kcq h ASP 34 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kcq h ASP 34 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2kcq h ASP 34 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 2kcq n GLY 35 N 0.49 0.94 0.08 2.75 0.00 0.56 -5.01 105.19 105.00 2kcq n GLY 35 Ca 0.02 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 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 0.14 -3.16 1.61 3.58 -1.90 -3.45 116.42 113.24 2kcq h ASP 36 Ca 0.00 -0.98 0.00 0.00 0.42 0.00 0.00 57.03 56.47 2kcq h ASP 36 Cb 0.27 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2kcq h ASP 36 CO 0.00 1.11 -0.10 -3.20 -2.88 0.00 0.00 179.24 174.17 2kcq n ASN 37 N -4.47 -2.73 -4.15 2.28 2.85 -1.26 -1.22 115.26 106.56 2kcq n ASN 37 Ca -0.11 0.17 -0.34 0.00 -0.11 0.00 0.00 54.58 54.19 2kcq n ASN 37 Cb 0.58 -1.41 -0.14 0.00 1.24 0.00 0.00 39.78 40.05 2kcq n ASN 37 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2kcq s ARG 38 N -2.13 2.37 -0.18 1.20 3.52 -0.22 -0.43 118.95 123.08 2kcq s ARG 38 Ca 0.00 -1.30 -0.23 0.00 -0.13 0.00 0.00 55.73 54.07 2kcq s ARG 38 Cb 0.00 -3.12 -0.02 0.00 -1.56 0.00 0.00 34.95 30.25 2kcq s ARG 38 CO 0.00 -0.62 0.72 0.08 -0.81 0.00 0.00 175.30 174.67 2kcq s VAL 39 N 1.21 4.96 0.00 7.11 1.01 -0.33 -0.76 120.40 133.60 2kcq s VAL 39 Ca -0.06 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.32 2kcq s VAL 39 Cb -0.20 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2kcq s VAL 39 CO -0.02 0.08 0.10 0.00 0.00 0.00 0.00 175.10 175.26 2kcq n ALA 40 N 5.08 1.53 -3.06 5.51 0.00 -0.62 -4.04 120.51 124.91 2kcq n ALA 40 Ca 0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 2kcq n ALA 40 Cb 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.52 -0.36 0.15 0.00 0.00 0.08 -4.99 121.76 116.13 2kcq s ALA 41 Ca 0.00 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.23 2kcq s ALA 41 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 2kcq s ALA 41 CO 0.00 -0.12 0.24 -0.51 0.00 0.00 0.00 175.76 175.37 2kcq s LEU 42 N -0.41 4.19 -0.09 0.00 1.43 -1.26 -0.84 118.68 121.71 2kcq s LEU 42 Ca -0.05 0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 2kcq s LEU 42 Cb -0.03 -2.77 0.03 0.00 0.03 0.00 0.00 46.19 43.44 2kcq s LEU 42 CO 0.01 0.06 -0.01 -2.28 0.23 0.00 0.00 176.35 174.36 2kcq s HIS 43 N -1.74 0.83 0.13 0.29 5.65 -0.67 -4.85 115.29 114.93 2kcq s HIS 43 Ca 0.33 -0.30 -0.26 0.00 0.25 0.00 0.00 55.06 55.09 2kcq s HIS 43 Cb -0.11 -0.89 -0.07 0.00 -1.18 0.00 0.00 32.58 30.33 2kcq s HIS 43 CO 0.27 -0.38 0.79 -0.98 -0.65 0.00 0.00 174.74 173.79 2kcq s ARG 44 N 1.92 4.57 -0.29 2.88 1.70 -1.26 -2.02 118.95 126.45 2kcq s ARG 44 Ca 0.05 1.16 -0.29 0.00 -0.47 0.00 0.00 55.73 56.18 2kcq s ARG 44 Cb -0.13 -3.29 -0.06 0.00 -0.57 0.00 0.00 34.95 30.90 2kcq s ARG 44 CO -0.06 0.48 2.26 0.00 -1.08 0.00 0.00 175.30 176.90 2kcq n ALA 45 N 1.96 1.54 1.53 7.88 0.00 -0.92 -4.77 120.51 127.73 2kcq n ALA 45 Ca -0.04 -0.35 0.15 0.00 0.00 0.00 0.00 53.44 53.19 2kcq n ALA 45 Cb 0.49 -2.93 0.70 0.00 0.00 0.00 0.00 19.45 17.71 2kcq n ALA 45 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kcq n THR 46 N 7.75 0.00 -4.73 0.00 -1.04 -1.26 -5.00 114.28 109.99 2kcq n THR 46 Ca 0.33 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 2kcq n THR 46 Cb 0.44 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 2kcq n THR 46 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2kcq n ASN 47 N -0.95 -1.85 -4.49 8.00 3.02 -1.26 -4.52 115.26 113.20 2kcq n ASN 47 Ca 0.17 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.29 2kcq n ASN 47 Cb 0.24 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 2kcq n ASN 47 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2kcq s ARG 48 N 0.00 3.55 -0.19 3.52 3.00 -1.26 -4.70 118.95 122.88 2kcq s ARG 48 Ca 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 55.73 54.26 2kcq s ARG 48 Cb 0.00 -5.00 0.06 0.00 0.00 0.00 0.00 34.95 30.01 2kcq s ARG 48 CO 0.00 -1.94 0.06 0.50 0.00 0.00 0.00 175.30 173.93 2kcq s ARG 49 N 3.65 0.39 -0.29 3.54 3.52 -1.26 -5.11 118.95 123.38 2kcq s ARG 49 Ca 0.37 -0.29 -0.14 0.00 -0.13 0.00 0.00 55.73 55.54 2kcq s ARG 49 Cb -0.04 -1.97 0.11 0.00 -1.56 0.00 0.00 34.95 31.49 2kcq s ARG 49 CO -0.08 -0.67 0.72 0.45 -0.81 0.00 0.00 175.30 174.92 2kcq s SER 50 N 1.98 -0.97 0.17 -2.12 0.15 -1.26 -4.97 113.70 106.69 2kcq s SER 50 Ca 0.01 1.44 -0.11 0.00 0.70 0.00 0.00 55.95 57.98 2kcq s SER 50 Cb -0.17 1.75 0.06 0.00 -1.71 0.00 0.00 66.02 65.95 2kcq s SER 50 CO -0.09 -0.21 1.67 1.05 1.20 0.00 0.00 173.24 176.86 2kcq h GLU 51 N 7.34 0.93 -2.26 5.44 9.09 -2.03 -3.49 114.58 129.60 2kcq h GLU 51 Ca -0.24 -0.23 0.24 0.00 0.05 0.00 0.00 59.36 59.18 2kcq h GLU 51 Cb 1.17 -0.12 -0.11 0.00 -1.65 0.00 0.00 28.75 28.04 2kcq h GLU 51 CO 0.13 0.86 -0.72 0.94 0.05 0.00 0.00 179.01 180.28 2kcq n GLN 52 N -4.37 -2.13 -3.27 1.06 7.27 -1.26 -4.91 117.38 109.78 2kcq n GLN 52 Ca 0.03 1.67 -0.19 0.00 0.07 0.00 0.00 57.00 58.59 2kcq n GLN 52 Cb 0.24 -2.51 0.06 0.00 2.41 0.00 0.00 30.24 30.44 2kcq n GLN 52 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2kcq n ARG 53 N -3.62 -5.82 -0.58 3.69 5.12 -1.26 -4.88 116.66 109.32 2kcq n ARG 53 Ca -0.04 0.66 0.08 0.00 -1.93 0.00 0.00 57.85 56.62 2kcq n ARG 53 Cb 0.45 -5.16 0.31 0.00 -1.16 0.00 0.00 32.46 26.90 2kcq n ARG 53 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2kcq n THR 54 N -4.43 2.30 -2.73 0.55 5.66 -1.26 -4.98 114.28 109.39 2kcq n THR 54 Ca -0.01 -1.62 -0.07 0.00 -3.05 0.00 0.00 64.05 59.30 2kcq n THR 54 Cb 0.56 -0.17 0.01 0.00 -1.55 0.00 0.00 70.33 69.17 2kcq n THR 54 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2kcq n ARG 55 N 0.04 -2.14 -2.99 1.09 0.63 -1.26 -5.07 116.66 106.96 2kcq n ARG 55 Ca 0.23 1.96 0.02 0.00 -0.92 0.00 0.00 57.85 59.15 2kcq n ARG 55 Cb 0.95 -5.31 0.01 0.00 0.45 0.00 0.00 32.46 28.56 2kcq n ARG 55 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2kcq n ARG 56 N -0.36 0.03 -1.93 -0.14 1.85 -1.26 -5.15 116.66 109.70 2kcq n ARG 56 Ca 0.11 -0.29 -0.37 0.00 -1.00 0.00 0.00 57.85 56.30 2kcq n ARG 56 Cb 0.42 0.54 0.04 0.00 -1.05 0.00 0.00 32.46 32.42 2kcq n ARG 56 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2kcq s TYR 57 N -2.18 2.32 0.00 2.89 2.02 -1.26 -4.86 117.35 116.28 2kcq s TYR 57 Ca 0.16 1.49 0.00 0.00 -0.37 0.00 0.00 57.07 58.35 2kcq s TYR 57 Cb -0.00 -3.58 0.00 0.00 -0.40 0.00 0.00 41.96 37.98 2kcq s TYR 57 CO -0.01 -2.46 0.00 0.39 -1.57 0.00 0.00 175.55 171.90 2kcq n GLU 58 N -1.52 0.72 -0.19 -0.62 1.02 -1.26 -4.95 120.64 113.83 2kcq n GLU 58 Ca 0.13 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.21 2kcq n GLU 58 Cb 0.48 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.93 2kcq n GLU 58 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2kcq h LEU 59 N 0.00 0.66 -2.31 -4.62 5.85 -1.95 -3.44 115.31 109.50 2kcq h LEU 59 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2kcq h LEU 59 Cb 0.00 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2kcq h LEU 59 CO 0.00 0.50 -0.40 0.41 -0.34 0.00 0.00 178.44 178.61 2kcq n THR 60 N -4.67-10.81 -2.67 1.05 -1.04 -1.26 -3.78 114.28 91.10 2kcq n THR 60 Ca 0.03 0.67 -0.04 0.00 -2.04 0.00 0.00 64.05 62.67 2kcq n THR 60 Cb 0.04 -7.19 -0.03 0.00 -1.82 0.00 0.00 70.33 61.32 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 -0.59 -3.50 -0.59 2.41 0.00 -1.26 -4.44 120.51 112.54 2kcq n ALA 61 Ca 0.09 1.82 0.00 0.00 0.00 0.00 0.00 53.44 55.36 2kcq n ALA 61 Cb 0.46 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.31 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 1.51 -2.05 -3.58 0.00 2.03 -1.26 -4.01 116.55 109.18 2kcq n ASP 62 Ca -0.30 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.61 2kcq n ASP 62 Cb 0.47 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.86 2kcq n ASP 62 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kcq n ASP 63 N -1.70 6.99 -0.08 1.67 2.03 -1.26 -4.56 116.55 119.63 2kcq n ASP 63 Ca 0.00 -3.02 -0.15 0.00 0.52 0.00 0.00 54.79 52.14 2kcq n ASP 63 Cb 0.00 -1.45 -0.04 0.00 -0.72 0.00 0.00 41.12 38.91 2kcq n ASP 63 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2kcq h TYR 64 N 5.10 1.07 -0.26 -0.67 3.20 -1.70 -3.29 116.97 120.42 2kcq h TYR 64 Ca 0.63 -0.38 0.03 0.00 3.14 0.00 0.00 58.73 62.16 2kcq h TYR 64 Cb 0.42 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 2kcq h TYR 64 CO 1.54 1.20 0.06 0.00 -1.64 0.00 0.00 178.16 179.32 2kcq h ARG 65 N 0.64 0.16 0.00 1.82 3.08 -1.80 0.31 114.38 118.58 2kcq h ARG 65 Ca 0.02 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 2kcq h ARG 65 Cb 1.12 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 2kcq h ARG 65 CO 0.11 0.11 -0.39 0.00 -1.07 0.00 0.00 179.97 178.73 2kcq h ALA 66 N 1.19 1.10 -0.22 0.04 0.00 -1.93 0.24 119.26 119.67 2kcq h ALA 66 Ca 0.12 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2kcq h ALA 66 Cb 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kcq h ALA 66 CO -0.15 0.49 -0.22 0.00 0.00 0.00 0.00 179.25 179.37 2kcq h ALA 67 N 1.61 0.33 -0.18 0.00 0.00 -1.34 -2.47 119.26 117.21 2kcq h ALA 67 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2kcq h ALA 67 Cb 0.82 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2kcq h ALA 67 CO 0.05 0.28 0.04 0.22 0.00 0.00 0.00 179.25 179.84 2kcq h ASP 68 N 0.23 0.27 0.25 0.00 1.82 -0.07 -1.29 116.42 117.64 2kcq h ASP 68 Ca 0.04 -0.24 -0.00 0.00 -0.39 0.00 0.00 57.03 56.44 2kcq h ASP 68 Cb 0.77 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 2kcq h ASP 68 CO 0.05 0.44 -0.18 0.00 -1.61 0.00 0.00 179.24 177.94 2kcq h ALA 69 N 0.84 -0.42 -0.18 -0.78 0.00 -1.01 0.12 119.26 117.83 2kcq h ALA 69 Ca 0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2kcq h ALA 69 Cb 0.27 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2kcq h ALA 69 CO 0.00 -0.75 -0.17 0.00 0.00 0.00 0.00 179.25 178.33 2kcq h ALA 70 N 0.28 1.38 -0.07 0.00 0.00 -1.47 0.10 119.26 119.47 2kcq h ALA 70 Ca -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2kcq h ALA 70 Cb 0.38 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kcq h ALA 70 CO -0.00 0.43 0.02 0.00 0.00 0.00 0.00 179.25 179.70 2kcq h ALA 71 N 1.55 0.10 -0.90 0.00 0.00 -0.79 -1.69 119.26 117.52 2kcq h ALA 71 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2kcq h ALA 71 Cb 0.47 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2kcq h ALA 71 CO 0.03 -0.30 0.53 1.96 0.00 0.00 0.00 179.25 181.48 2kcq h GLN 72 N -0.07 1.24 -0.66 0.00 1.08 -0.25 0.45 115.11 116.90 2kcq h GLN 72 Ca 0.02 -0.12 0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2kcq h GLN 72 Cb 0.21 -0.26 -0.05 0.00 -0.05 0.00 0.00 27.48 27.33 2kcq h GLN 72 CO -0.00 0.87 0.39 0.93 -0.95 0.00 0.00 178.83 180.07 2kcq h GLU 73 N 1.25 0.71 -0.01 1.46 5.08 -0.83 -2.48 114.58 119.76 2kcq h GLU 73 Ca 0.32 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2kcq h GLU 73 Cb -0.03 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2kcq h GLU 73 CO -0.06 0.47 -0.20 1.04 -1.00 0.00 0.00 179.01 179.27 2kcq n GLN 74 N -4.75 0.92 -2.23 2.33 6.02 -0.65 -4.92 117.38 114.10 2kcq n GLN 74 Ca 0.08 -0.50 -0.06 0.00 -0.01 0.00 0.00 57.00 56.50 2kcq n GLN 74 Cb 0.14 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.91 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 1.31 0.20 1.87 1.08 0.00 0.16 -5.04 105.19 104.77 2kcq n GLY 75 Ca 0.14 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.00 0.00 -4.24 0.99 4.77 0.14 -5.00 117.00 112.66 2kcq n LEU 76 Ca -0.06 -1.69 -0.16 0.00 -0.03 0.00 0.00 56.01 54.07 2kcq n LEU 76 Cb 0.55 0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 41.92 2kcq n LEU 76 CO 0.10 -0.25 -0.15 1.51 -1.33 0.00 0.00 177.39 177.27 2kcq s ASP 77 N -2.42 1.00 -0.73 -1.43 -4.77 -1.21 -3.78 116.67 103.33 2kcq s ASP 77 Ca 0.06 -1.59 -0.27 0.00 -3.30 0.00 0.00 52.55 47.45 2kcq s ASP 77 Cb 0.00 0.49 0.02 0.00 -1.09 0.00 0.00 42.92 42.34 2kcq s ASP 77 CO 0.04 -0.98 1.34 -0.69 0.70 0.00 0.00 175.17 175.58 2kcq s VAL 78 N -3.74 3.68 -2.06 2.11 1.01 -1.26 -2.62 120.40 117.52 2kcq s VAL 78 Ca 0.40 0.39 0.25 0.00 0.00 0.00 0.00 61.98 63.01 2kcq s VAL 78 Cb 0.04 -4.81 0.18 0.00 0.00 0.00 0.00 36.38 31.79 2kcq s VAL 78 CO 0.21 -1.76 1.36 1.33 0.00 0.00 0.00 175.10 176.24 2kcq n VAL 79 N 6.47 0.00 -3.83 2.92 0.24 -0.50 -4.92 118.33 118.72 2kcq n VAL 79 Ca 0.05 -0.23 -0.01 0.00 -2.04 0.00 0.00 64.34 62.11 2kcq n VAL 79 Cb 0.49 0.86 0.01 0.00 -1.47 0.00 0.00 33.84 33.73 2kcq n VAL 79 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kcq s GLY 80 N -2.40 -0.11 0.06 7.63 0.00 -1.06 -1.92 107.32 109.53 2kcq s GLY 80 Ca 0.24 0.03 0.01 0.00 0.00 0.00 0.00 44.72 45.00 2kcq s GLY 80 CO 0.50 2.11 -0.05 0.14 0.00 0.00 0.00 173.10 175.80 2kcq s VAL 81 N -2.41 0.44 0.01 1.40 1.01 0.46 -0.02 120.40 121.28 2kcq s VAL 81 Ca 0.20 -1.56 0.03 0.00 0.00 0.00 0.00 61.98 60.65 2kcq s VAL 81 Cb -0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 2kcq s VAL 81 CO 0.02 -0.74 -0.08 -0.72 0.00 0.00 0.00 175.10 173.57 2kcq s TYR 82 N -2.88 0.74 -0.03 5.22 -0.85 -1.13 -0.88 117.35 117.54 2kcq s TYR 82 Ca 0.01 -0.20 0.06 0.00 -0.52 0.00 0.00 57.07 56.43 2kcq s TYR 82 Cb 0.00 -0.47 -0.02 0.00 0.38 0.00 0.00 41.96 41.86 2kcq s TYR 82 CO -0.04 -0.02 -0.22 -1.01 -1.52 0.00 0.00 175.55 172.74 2kcq s HIS 83 N -0.41 2.45 -0.20 -3.49 3.76 0.19 -3.45 115.29 114.13 2kcq s HIS 83 Ca 0.01 -0.39 -0.06 0.00 -0.15 0.00 0.00 55.06 54.46 2kcq s HIS 83 Cb -0.04 -1.55 -0.03 0.00 1.11 0.00 0.00 32.58 32.06 2kcq s HIS 83 CO -0.00 0.00 0.04 -1.12 -0.85 0.00 0.00 174.74 172.81 2kcq s SER 84 N -0.58 5.20 0.01 1.40 0.01 -1.26 -1.42 113.70 117.06 2kcq s SER 84 Ca 0.09 -0.09 0.06 0.00 1.31 0.00 0.00 55.95 57.32 2kcq s SER 84 Cb -0.11 -1.90 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 2kcq s SER 84 CO -0.00 0.09 -0.19 -1.00 0.41 0.00 0.00 173.24 172.54 2kcq s HIS 85 N 0.87 1.72 -0.12 2.43 3.76 -0.24 -4.88 115.29 118.83 2kcq s HIS 85 Ca 0.02 -0.34 -0.18 0.00 -0.15 0.00 0.00 55.06 54.41 2kcq s HIS 85 Cb -0.14 -1.07 -0.04 0.00 1.11 0.00 0.00 32.58 32.44 2kcq s HIS 85 CO 0.02 0.02 0.48 -1.25 -0.85 0.00 0.00 174.74 173.16 2kcq s PRO 86 N -0.75 4.33 -0.64 8.40 0.05 -1.26 -1.34 135.00 143.80 2kcq s PRO 86 Ca 0.07 0.45 -0.09 0.00 0.05 0.00 0.00 61.00 61.48 2kcq s PRO 86 Cb -0.08 -3.45 0.01 0.00 0.05 0.00 0.00 34.50 31.04 2kcq s PRO 86 CO 0.00 0.13 0.65 -3.47 0.05 0.00 0.00 177.00 174.37 2kcq n ASP 87 N 3.75 -6.99 -3.71 6.66 2.03 -1.24 -4.96 116.55 112.09 2kcq n ASP 87 Ca -0.07 -0.09 -0.10 0.00 0.52 0.00 0.00 54.79 55.05 2kcq n ASP 87 Cb 0.52 -4.18 -0.04 0.00 -0.72 0.00 0.00 41.12 36.70 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 -2.70 -0.12 -2.00 -0.67 3.76 -1.26 -5.02 115.29 107.27 2kcq s HIS 88 Ca 0.12 -0.21 0.05 0.00 -0.15 0.00 0.00 55.06 54.87 2kcq s HIS 88 Cb -0.02 0.33 0.32 0.00 1.11 0.00 0.00 32.58 34.32 2kcq s HIS 88 CO 0.80 -0.84 0.81 -2.30 -0.85 0.00 0.00 174.74 172.36 2kcq n PRO 89 N -0.30 0.54 -2.38 8.40 -0.02 -1.26 -4.85 135.00 135.12 2kcq n PRO 89 Ca -0.12 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.32 2kcq n PRO 89 Cb 0.63 -1.16 0.01 0.00 -0.02 0.00 0.00 33.50 32.96 2kcq n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kcq n ALA 90 N -0.66 -2.87 -3.54 3.55 0.00 -1.26 -5.05 120.51 110.69 2kcq n ALA 90 Ca 0.04 0.63 -0.09 0.00 0.00 0.00 0.00 53.44 54.02 2kcq n ALA 90 Cb 0.02 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.26 2kcq n ALA 90 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kcq s ARG 91 N -2.19 1.17 0.54 0.00 1.70 -1.26 -4.82 118.95 114.09 2kcq s ARG 91 Ca 0.13 -0.50 -0.20 0.00 -0.47 0.00 0.00 55.73 54.70 2kcq s ARG 91 Cb -0.04 0.50 -0.05 0.00 -0.57 0.00 0.00 34.95 34.78 2kcq s ARG 91 CO 0.49 -0.52 1.17 -2.14 -1.08 0.00 0.00 175.30 173.22 2kcq s PRO 92 N -3.49 3.32 0.40 3.89 0.02 -1.26 -5.05 135.00 132.82 2kcq s PRO 92 Ca 0.05 1.74 0.01 0.00 0.02 0.00 0.00 61.00 62.82 2kcq s PRO 92 Cb -0.02 -2.08 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 2kcq s PRO 92 CO -0.07 -0.91 0.60 -1.12 -0.33 0.00 0.00 177.00 175.17 2kcq s SER 93 N -1.59 6.02 0.16 2.53 0.01 -1.26 -4.92 113.70 114.65 2kcq s SER 93 Ca 0.72 0.29 -0.16 0.00 1.31 0.00 0.00 55.95 58.11 2kcq s SER 93 Cb -0.28 -1.68 0.09 0.00 0.21 0.00 0.00 66.02 64.36 2kcq s SER 93 CO 0.31 -0.52 1.73 0.00 0.41 0.00 0.00 173.24 175.17 2kcq h ALA 94 N 0.59 0.41 0.04 1.44 0.00 -1.99 0.18 119.26 119.93 2kcq h ALA 94 Ca -0.47 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.27 2kcq h ALA 94 Cb 1.24 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2kcq h ALA 94 CO 0.58 -0.31 -1.13 1.15 0.00 0.00 0.00 179.25 179.54 2kcq h THR 95 N 0.22 1.58 -0.50 0.00 2.02 -1.98 -1.61 112.91 112.64 2kcq h THR 95 Ca 0.18 -3.27 0.00 0.00 0.77 0.00 0.00 66.41 64.09 2kcq h THR 95 Cb 0.20 2.84 -0.02 0.00 -1.74 0.00 0.00 68.15 69.42 2kcq h THR 95 CO -0.23 0.92 0.31 -0.78 0.37 0.00 0.00 175.52 176.12 2kcq h ASP 96 N 0.02 0.59 -0.20 4.18 3.58 -1.85 0.13 116.42 122.87 2kcq h ASP 96 Ca -0.07 -0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.28 2kcq h ASP 96 Cb 1.85 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.74 2kcq h ASP 96 CO 0.15 0.44 -0.17 0.25 -2.88 0.00 0.00 179.24 177.03 2kcq h LEU 97 N 0.69 0.49 -1.00 2.28 6.46 -0.52 -3.22 115.31 120.49 2kcq h LEU 97 Ca 0.18 -0.46 0.05 0.00 -0.12 0.00 0.00 57.88 57.53 2kcq h LEU 97 Cb -0.05 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 39.68 2kcq h LEU 97 CO -0.04 0.85 0.65 -0.33 -0.62 0.00 0.00 178.44 178.95 2kcq h GLU 98 N 0.14 1.18 0.00 1.25 5.08 -0.25 -1.37 114.58 120.61 2kcq h GLU 98 Ca 0.04 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2kcq h GLU 98 Cb 0.70 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2kcq h GLU 98 CO 0.04 0.78 0.00 0.39 -1.00 0.00 0.00 179.01 179.23 2kcq n GLU 99 N -4.48 0.17 -2.48 2.33 -0.58 -0.07 -4.26 120.64 111.28 2kcq n GLU 99 Ca 0.14 0.33 -0.39 0.00 -0.42 0.00 0.00 57.16 56.83 2kcq n GLU 99 Cb 0.14 -1.79 -0.03 0.00 -0.57 0.00 0.00 31.44 29.19 2kcq n GLU 99 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kcq s ALA 100 N -3.21 2.69 -0.68 0.62 0.00 -0.52 -4.62 121.76 116.03 2kcq s ALA 100 Ca 0.06 -2.33 0.07 0.00 0.00 0.00 0.00 51.96 49.76 2kcq s ALA 100 Cb 0.10 -4.57 0.17 0.00 0.00 0.00 0.00 23.12 18.82 2kcq s ALA 100 CO 0.43 -3.77 1.06 2.41 0.00 0.00 0.00 175.76 175.89 2kcq n THR 101 N 6.93 0.75 -3.82 0.00 -1.04 -1.26 -4.86 114.28 110.99 2kcq n THR 101 Ca 0.39 -0.88 -0.29 0.00 -2.04 0.00 0.00 64.05 61.23 2kcq n THR 101 Cb 0.49 0.66 -0.13 0.00 -1.82 0.00 0.00 70.33 69.53 2kcq n THR 101 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2kcq s PHE 102 N -0.90 2.75 0.82 -1.42 -0.71 -1.26 -5.07 117.98 112.18 2kcq s PHE 102 Ca 0.14 -2.92 -0.11 0.00 -1.04 0.00 0.00 56.93 53.00 2kcq s PHE 102 Cb 0.07 -2.35 0.09 0.00 -1.21 0.00 0.00 43.02 39.62 2kcq s PHE 102 CO 0.10 -0.71 1.10 -2.14 -1.34 0.00 0.00 175.22 172.24 2kcq s PRO 103 N -0.38 1.86 0.00 1.99 0.02 -1.26 -4.22 135.00 133.01 2kcq s PRO 103 Ca 0.21 1.22 0.00 0.00 0.02 0.00 0.00 61.00 62.44 2kcq s PRO 103 Cb -0.17 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.50 2kcq s PRO 103 CO -0.06 -1.94 0.00 0.41 -0.33 0.00 0.00 177.00 175.08 2kcq n GLY 104 N -0.87 1.46 3.70 0.52 0.00 -1.26 -5.09 105.19 103.65 2kcq n GLY 104 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2kcq n GLY 104 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kcq s PHE 105 N -2.10 3.11 -0.12 1.61 0.40 -1.26 -4.82 117.98 114.79 2kcq s PHE 105 Ca 0.00 0.11 -0.19 0.00 -0.60 0.00 0.00 56.93 56.25 2kcq s PHE 105 Cb 0.00 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 2kcq s PHE 105 CO 0.00 0.48 0.50 0.99 0.70 0.00 0.00 175.22 177.88 2kcq s THR 106 N -1.09 5.17 -0.29 0.64 2.01 -0.81 -4.56 115.64 116.71 2kcq s THR 106 Ca 0.20 0.99 -0.09 0.00 0.31 0.00 0.00 61.69 63.10 2kcq s THR 106 Cb -0.12 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 2kcq s THR 106 CO 0.10 0.30 0.13 -0.31 -0.69 0.00 0.00 174.62 174.16 2kcq s TYR 107 N 0.75 3.16 -0.20 4.92 2.02 -0.85 -0.41 117.35 126.74 2kcq s TYR 107 Ca 0.27 -0.45 -0.06 0.00 -0.37 0.00 0.00 57.07 56.45 2kcq s TYR 107 Cb -0.15 -2.32 -0.03 0.00 -0.40 0.00 0.00 41.96 39.05 2kcq s TYR 107 CO 0.11 -0.40 0.04 0.08 -1.57 0.00 0.00 175.55 173.81 2kcq s VAL 108 N 1.63 4.37 -0.15 0.71 1.01 -0.06 0.00 120.40 127.92 2kcq s VAL 108 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2kcq s VAL 108 Cb -0.16 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 2kcq s VAL 108 CO 0.06 0.42 -0.15 -0.63 0.00 0.00 0.00 175.10 174.80 2kcq s ILE 109 N 0.85 2.69 -0.07 2.22 1.01 0.13 -0.64 121.20 127.39 2kcq s ILE 109 Ca 0.02 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.92 2kcq s ILE 109 Cb -0.14 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 2kcq s ILE 109 CO 0.02 0.52 -0.09 0.54 0.00 0.00 0.00 174.94 175.92 2kcq s VAL 110 N 0.75 3.47 -0.41 2.92 0.11 -0.51 -0.98 120.40 125.76 2kcq s VAL 110 Ca -0.06 -0.56 -0.14 0.00 -2.93 0.00 0.00 61.98 58.28 2kcq s VAL 110 Cb -0.15 -2.41 0.03 0.00 -1.53 0.00 0.00 36.38 32.31 2kcq s VAL 110 CO 0.01 0.59 0.29 -0.55 -3.33 0.00 0.00 175.10 172.11 2kcq s SER 111 N -0.68 6.06 -0.21 3.54 0.15 -0.90 -1.08 113.70 120.57 2kcq s SER 111 Ca 0.10 -0.95 0.01 0.00 0.70 0.00 0.00 55.95 55.82 2kcq s SER 111 Cb -0.11 -2.14 0.03 0.00 -1.71 0.00 0.00 66.02 62.09 2kcq s SER 111 CO 0.01 -0.46 -0.16 -0.69 1.20 0.00 0.00 173.24 173.15 2kcq s VAL 112 N 1.66 2.21 -1.01 4.45 1.01 -0.45 0.16 120.40 128.43 2kcq s VAL 112 Ca 0.04 -1.13 -0.06 0.00 0.00 0.00 0.00 61.98 60.83 2kcq s VAL 112 Cb -0.19 -2.05 0.25 0.00 0.00 0.00 0.00 36.38 34.38 2kcq s VAL 112 CO 0.09 0.35 0.96 -0.13 0.00 0.00 0.00 175.10 176.37 2kcq s ARG 113 N 1.25 3.80 -0.45 2.72 0.52 0.12 -3.73 118.95 123.17 2kcq s ARG 113 Ca 0.01 -3.20 -0.26 0.00 -0.52 0.00 0.00 55.73 51.76 2kcq s ARG 113 Cb -0.15 -4.31 0.04 0.00 0.52 0.00 0.00 34.95 31.04 2kcq s ARG 113 CO -0.10 -1.25 0.63 -3.47 0.02 0.00 0.00 175.30 171.14 2kcq n ASP 114 N 2.63 -6.79 0.00 0.23 2.03 -1.26 -2.91 116.55 110.48 2kcq n ASP 114 Ca 0.22 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.72 2kcq n ASP 114 Cb 0.39 -3.63 0.00 0.00 -0.72 0.00 0.00 41.12 37.15 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 -0.29 2.97 3.35 0.27 0.00 -1.26 -4.95 105.19 105.27 2kcq n GLY 115 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.90 3.54 -0.40 4.61 0.00 -1.15 -4.65 121.76 121.81 2kcq s ALA 116 Ca 0.00 -2.22 -0.29 0.00 0.00 0.00 0.00 51.96 49.45 2kcq s ALA 116 Cb 0.00 -3.05 0.01 0.00 0.00 0.00 0.00 23.12 20.08 2kcq s ALA 116 CO 0.00 -1.78 1.28 -2.14 0.00 0.00 0.00 175.76 173.12 2kcq s PRO 117 N 1.60 3.73 -0.02 0.00 0.02 -1.26 0.15 135.00 139.21 2kcq s PRO 117 Ca 0.04 0.90 -0.01 0.00 0.02 0.00 0.00 61.00 61.95 2kcq s PRO 117 Cb -0.25 -3.94 -0.00 0.00 0.02 0.00 0.00 34.50 30.33 2kcq s PRO 117 CO 0.05 -1.37 -0.01 1.49 -0.33 0.00 0.00 177.00 176.83 2kcq h GLU 118 N 9.77 0.00 -3.56 5.54 4.81 -0.68 -3.49 114.58 126.97 2kcq h GLU 118 Ca -0.25 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.90 2kcq h GLU 118 Cb 1.09 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.32 2kcq h GLU 118 CO 1.08 0.00 -0.27 0.00 -0.73 0.00 0.00 179.01 179.09 2kcq s ALA 119 N -2.92 -0.52 -0.20 2.92 0.00 -1.25 -5.01 121.76 114.79 2kcq s ALA 119 Ca -0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 2kcq s ALA 119 Cb 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 2kcq s ALA 119 CO 0.01 -0.51 -0.07 -0.51 0.00 0.00 0.00 175.76 174.69 2kcq s LEU 120 N -2.59 2.83 -0.09 0.00 1.43 -1.26 -2.12 118.68 116.88 2kcq s LEU 120 Ca 0.01 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 2kcq s LEU 120 Cb 0.02 -1.70 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 2kcq s LEU 120 CO -0.09 0.02 -0.24 0.42 0.23 0.00 0.00 176.35 176.69 2kcq s THR 121 N 1.20 2.06 -0.12 5.49 -4.23 -0.15 -5.00 115.64 114.89 2kcq s THR 121 Ca 0.02 -1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 59.48 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 -0.02 0.56 -0.05 0.00 -0.54 0.00 0.00 174.62 174.57 2kcq s ALA 122 N 0.20 2.98 -0.02 3.99 0.00 -1.26 0.23 121.76 127.87 2kcq s ALA 122 Ca -0.15 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.02 2kcq s ALA 122 Cb -0.17 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 2kcq s ALA 122 CO 0.08 0.34 -0.17 -1.58 0.00 0.00 0.00 175.76 174.43 2kcq s TRP 123 N -0.04 1.56 -0.19 0.00 0.52 0.10 -3.24 118.94 117.65 2kcq s TRP 123 Ca 0.01 -0.34 -0.07 0.00 0.02 0.00 0.00 56.10 55.72 2kcq s TRP 123 Cb -0.13 -1.02 -0.04 0.00 -1.15 0.00 0.00 33.47 31.13 2kcq s TRP 123 CO 0.03 -0.06 0.05 0.00 0.02 0.00 0.00 176.95 176.98 2kcq s ALA 124 N -0.28 3.28 0.12 0.98 0.00 0.29 -2.00 121.76 124.15 2kcq s ALA 124 Ca 0.04 -0.84 -0.26 0.00 0.00 0.00 0.00 51.96 50.90 2kcq s ALA 124 Cb -0.08 -1.89 -0.07 0.00 0.00 0.00 0.00 23.12 21.08 2kcq s ALA 124 CO 0.00 0.04 0.80 -1.17 0.00 0.00 0.00 175.76 175.42 2kcq s LEU 125 N 0.64 4.54 0.25 0.00 2.96 -1.26 -0.40 118.68 125.41 2kcq s LEU 125 Ca 0.02 1.61 -0.31 0.00 -0.22 0.00 0.00 54.13 55.23 2kcq s LEU 125 Cb -0.13 -3.31 -0.13 0.00 0.50 0.00 0.00 46.19 43.11 2kcq s LEU 125 CO 0.02 0.12 1.38 0.00 -1.32 0.00 0.00 176.35 176.55 2kcq n ALA 126 N 2.09 1.05 -0.25 5.97 0.00 -0.30 -4.87 120.51 124.20 2kcq n ALA 126 Ca -0.04 0.41 0.16 0.00 0.00 0.00 0.00 53.44 53.97 2kcq n ALA 126 Cb 0.49 -2.26 0.45 0.00 0.00 0.00 0.00 19.45 18.13 2kcq n ALA 126 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2kcq h PRO 127 N 3.96 0.52 -0.44 0.00 0.11 -1.95 0.27 132.00 134.46 2kcq h PRO 127 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kcq h PRO 127 Cb 1.28 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2kcq h PRO 127 CO 0.74 0.34 0.00 -0.25 -0.21 0.00 0.00 178.00 178.62 2kcq n ASP 128 N -4.55 2.78 -2.45 -2.05 9.92 -1.26 -4.86 116.55 114.09 2kcq n ASP 128 Ca 0.18 -1.95 -0.04 0.00 -0.53 0.00 0.00 54.79 52.46 2kcq n ASP 128 Cb 0.59 -0.29 -0.03 0.00 -0.64 0.00 0.00 41.12 40.75 2kcq n ASP 128 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2kcq n ARG 129 N 1.03 -3.66 0.00 -1.24 0.00 0.96 -5.03 116.66 108.71 2kcq n ARG 129 Ca 0.18 2.87 0.00 0.00 -0.00 0.00 0.00 57.85 60.90 2kcq n ARG 129 Cb 0.46 -4.54 0.00 0.00 0.00 0.00 0.00 32.46 28.38 2kcq n ARG 129 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2kcq n SER 130 N 1.21 0.00 -3.74 6.15 7.64 -1.26 -5.02 113.62 118.60 2kcq n SER 130 Ca -0.26 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.52 2kcq n SER 130 Cb 0.41 0.22 -0.04 0.00 -1.01 0.00 0.00 64.21 63.79 2kcq n SER 130 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2kcq s GLU 131 N -1.86 1.72 0.05 1.43 -1.05 -1.26 -5.02 118.70 112.71 2kcq s GLU 131 Ca 0.00 -1.30 0.03 0.00 -0.15 0.00 0.00 54.97 53.55 2kcq s GLU 131 Cb 0.00 0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 34.16 2kcq s GLU 131 CO 0.00 -0.74 0.02 -0.06 0.95 0.00 0.00 175.26 175.42 2kcq s PHE 132 N -3.66 3.06 0.05 4.83 0.40 -1.26 -1.15 117.98 120.24 2kcq s PHE 132 Ca 0.21 0.04 0.07 0.00 -0.60 0.00 0.00 56.93 56.65 2kcq s PHE 132 Cb -0.02 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 2kcq s PHE 132 CO 0.11 0.48 -0.20 -1.01 0.70 0.00 0.00 175.22 175.29 2kcq s HIS 133 N -1.24 1.79 0.02 0.36 3.76 0.46 -4.95 115.29 115.49 2kcq s HIS 133 Ca 0.24 -0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 54.61 2kcq s HIS 133 Cb -0.12 -1.06 -0.06 0.00 1.11 0.00 0.00 32.58 32.45 2kcq s HIS 133 CO 0.16 0.09 0.47 0.50 -0.85 0.00 0.00 174.74 175.11 2kcq s ARG 134 N -1.21 4.04 0.17 1.40 6.06 -1.26 -0.55 118.95 127.60 2kcq s ARG 134 Ca 0.07 0.52 0.03 0.00 -2.50 0.00 0.00 55.73 53.86 2kcq s ARG 134 Cb -0.09 -3.24 -0.05 0.00 0.06 0.00 0.00 34.95 31.64 2kcq s ARG 134 CO 0.02 0.64 -0.04 -2.00 -2.50 0.00 0.00 175.30 171.43 2kcq s GLU 135 N -0.99 1.13 0.25 5.12 2.12 -1.20 -4.95 118.70 120.18 2kcq s GLU 135 Ca 0.26 -1.53 -0.15 0.00 0.36 0.00 0.00 54.97 53.91 2kcq s GLU 135 Cb -0.18 -0.45 -0.08 0.00 0.26 0.00 0.00 34.13 33.68 2kcq s GLU 135 CO 0.15 -0.05 0.66 -0.51 -0.54 0.00 0.00 175.26 174.97 2kcq s ASP 136 N -3.19 6.82 -0.14 -1.70 1.01 -1.26 -4.58 116.67 113.62 2kcq s ASP 136 Ca 0.22 1.20 -0.26 0.00 0.71 0.00 0.00 52.55 54.42 2kcq s ASP 136 Cb 0.05 -2.34 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 2kcq s ASP 136 CO 0.03 -0.07 0.83 -0.63 0.21 0.00 0.00 175.17 175.55 2kcq s ILE 137 N -1.75 4.90 0.17 0.77 1.09 -1.26 -4.74 121.20 120.38 2kcq s ILE 137 Ca 0.47 1.65 0.07 0.00 -1.10 0.00 0.00 60.65 61.74 2kcq s ILE 137 Cb -0.13 -4.14 -0.04 0.00 -1.06 0.00 0.00 42.46 37.09 2kcq s ILE 137 CO 0.19 0.07 0.05 -0.69 -0.10 0.00 0.00 174.94 174.46 2kcq s VAL 138 N 1.86 3.97 0.47 2.92 1.01 -1.18 -5.08 120.40 124.38 2kcq s VAL 138 Ca 0.40 -1.32 -0.18 0.00 0.00 0.00 0.00 61.98 60.88 2kcq s VAL 138 Cb -0.17 -3.01 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 2kcq s VAL 138 CO 0.15 -0.11 0.95 -0.13 0.00 0.00 0.00 175.10 175.95 2kcq s ARG 139 N -3.01 4.04 0.48 2.72 0.52 -1.26 -3.06 118.95 119.37 2kcq s ARG 139 Ca 0.29 0.97 -0.23 0.00 -0.52 0.00 0.00 55.73 56.23 2kcq s ARG 139 Cb -0.09 -2.18 -0.08 0.00 0.52 0.00 0.00 34.95 33.12 2kcq s ARG 139 CO 0.20 -0.16 1.22 -0.35 0.02 0.00 0.00 175.30 176.24 2kcq n PRO 140 N -1.20 1.66 -1.44 3.54 -0.04 -1.24 -4.72 135.00 131.55 2kcq n PRO 140 Ca 0.06 0.60 -0.55 0.00 -0.04 0.00 0.00 63.50 63.57 2kcq n PRO 140 Cb 0.54 -2.37 -0.09 0.00 -0.04 0.00 0.00 33.50 31.54 2kcq n PRO 140 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kcq n ASP 141 N -0.23 1.73 -4.55 3.54 9.92 -1.26 -4.64 116.55 121.05 2kcq n ASP 141 Ca 0.09 0.63 -0.14 0.00 -0.53 0.00 0.00 54.79 54.84 2kcq n ASP 141 Cb 0.42 -1.12 -0.09 0.00 -0.64 0.00 0.00 41.12 39.69 2kcq n ASP 141 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2kcq n PRO 142 N 7.41 0.47 -2.73 -0.24 -0.02 -1.26 -3.10 135.00 135.53 2kcq n PRO 142 Ca 0.43 -0.84 -0.14 0.00 -2.02 0.00 0.00 63.50 60.93 2kcq n PRO 142 Cb 0.12 -3.46 -0.00 0.00 -0.02 0.00 0.00 33.50 30.14 2kcq n PRO 142 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kcq n GLU 143 N 8.43 -2.68 -3.17 -0.52 1.02 -1.26 -4.90 120.64 117.56 2kcq n GLU 143 Ca 0.48 0.49 -0.44 0.00 -0.02 0.00 0.00 57.16 57.67 2kcq n GLU 143 Cb 0.41 -5.11 -0.06 0.00 -0.02 0.00 0.00 31.44 26.65 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 -2.64 3.41 0.33 0.62 0.00 -1.18 -5.06 121.76 117.24 2kcq s ALA 144 Ca 0.12 -1.84 -0.01 0.00 0.00 0.00 0.00 51.96 50.24 2kcq s ALA 144 Cb -0.06 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2kcq s ALA 144 CO 0.15 -2.02 0.55 -1.25 0.00 0.00 0.00 175.76 173.19 2kcq s PRO 145 N 2.54 3.52 0.60 0.00 0.04 -1.26 -5.01 135.00 135.42 2kcq s PRO 145 Ca 0.14 -0.25 -0.07 0.00 0.04 0.00 0.00 61.00 60.85 2kcq s PRO 145 Cb -0.20 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.68 2kcq s PRO 145 CO 0.11 0.16 0.93 -0.51 0.04 0.00 0.00 177.00 177.73 2kcq s LEU 146 N -4.12 3.21 -0.41 -3.56 1.02 -1.26 -4.97 118.68 108.58 2kcq s LEU 146 Ca 0.41 0.86 -0.28 0.00 0.02 0.00 0.00 54.13 55.14 2kcq s LEU 146 Cb -0.10 -3.70 -0.02 0.00 0.02 0.00 0.00 46.19 42.39 2kcq s LEU 146 CO 0.35 -1.06 1.85 -0.70 0.02 0.00 0.00 176.35 176.81 2kcq s GLU 147 N -5.05 3.08 0.19 1.70 -6.30 -1.26 -4.86 118.70 106.20 2kcq s GLU 147 Ca 0.54 1.21 -0.12 0.00 -2.50 0.00 0.00 54.97 54.09 2kcq s GLU 147 Cb -0.11 -4.27 0.12 0.00 0.00 0.00 0.00 34.13 29.87 2kcq s GLU 147 CO 0.47 -2.17 1.84 0.45 0.02 0.00 0.00 175.26 175.87 2kcq h HIS 148 N 13.78 0.70 0.00 5.30 3.86 -2.06 -3.45 115.15 133.29 2kcq h HIS 148 Ca -0.31 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 2kcq h HIS 148 Cb 1.17 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.41 2kcq h HIS 148 CO 0.98 0.42 0.00 0.72 0.86 0.00 0.00 177.93 180.91 2kcq n HIS 149 N -4.71 0.00 -3.33 2.45 8.25 -1.26 -4.39 115.22 112.22 2kcq n HIS 149 Ca 0.05 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.34 2kcq n HIS 149 Cb 0.05 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.24 2kcq n HIS 149 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kcq n HIS 150 N 0.00 -2.09 -3.99 4.41 -0.00 -1.26 -5.01 115.22 107.28 2kcq n HIS 150 Ca 0.00 0.86 -0.36 0.00 0.46 0.00 0.00 57.72 58.68 2kcq n HIS 150 Cb 0.00 -4.76 -0.07 0.00 -0.12 0.00 0.00 29.99 25.04 2kcq n HIS 150 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kcq s HIS 151 N -3.32 3.50 -0.08 1.57 5.04 -1.26 -4.81 115.29 115.93 2kcq s HIS 151 Ca 0.10 0.45 -0.05 0.00 -1.54 0.00 0.00 55.06 54.02 2kcq s HIS 151 Cb -0.04 -1.91 0.02 0.00 0.04 0.00 0.00 32.58 30.68 2kcq s HIS 151 CO 0.66 0.67 0.11 1.58 -2.34 0.00 0.00 174.74 175.41 2kcq n HIS 152 N 2.06 -1.93 1.35 3.88 -0.00 -1.26 -5.24 115.22 114.07 2kcq n HIS 152 Ca -0.20 1.12 0.13 0.00 -0.00 0.00 0.00 57.72 58.78 2kcq n HIS 152 Cb 0.55 -2.55 0.40 0.00 -0.00 0.00 0.00 29.99 28.39 2kcq n HIS 152 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95