#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 3.20 0.33 2.12 3.01 -0.61 -0.38 119.74 127.40 2kcq s LYS 2 Ca 0.00 -0.73 -0.18 0.00 -1.01 0.00 0.00 55.97 54.05 2kcq s LYS 2 Cb 0.00 -2.93 0.03 0.00 -1.01 0.00 0.00 37.83 33.93 2kcq s LYS 2 CO 0.00 -0.24 0.73 -0.08 0.51 0.00 0.00 175.35 176.27 2kcq s THR 3 N 1.42 0.00 0.23 2.17 -1.32 -1.02 -2.71 115.64 114.40 2kcq s THR 3 Ca 0.05 -1.04 0.05 0.00 -1.21 0.00 0.00 61.69 59.54 2kcq s THR 3 Cb -0.14 -2.41 -0.03 0.00 -1.51 0.00 0.00 72.50 68.40 2kcq s THR 3 CO -0.05 0.00 0.30 0.42 -2.21 0.00 0.00 174.62 173.08 2kcq s THR 4 N -3.19 5.02 0.54 5.08 -4.23 -1.26 -4.34 115.64 113.25 2kcq s THR 4 Ca 0.14 -1.07 0.27 0.00 -1.18 0.00 0.00 61.69 59.85 2kcq s THR 4 Cb -0.05 -3.70 0.41 0.00 1.34 0.00 0.00 72.50 70.50 2kcq s THR 4 CO 0.09 -0.30 1.97 1.55 -0.54 0.00 0.00 174.62 177.40 2kcq h PRO 5 N 1.43 0.00 -0.27 3.99 0.13 -1.99 -1.34 132.00 133.95 2kcq h PRO 5 Ca -0.50 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.68 2kcq h PRO 5 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 2kcq h PRO 5 CO 0.62 0.00 -0.03 -0.44 -0.23 0.00 0.00 178.00 177.91 2kcq h ASP 6 N 0.00 -0.18 -0.48 1.44 5.19 -2.00 -0.78 116.42 119.62 2kcq h ASP 6 Ca 0.27 0.07 -0.09 0.00 -0.62 0.00 0.00 57.03 56.66 2kcq h ASP 6 Cb 1.14 0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.77 2kcq h ASP 6 CO -0.00 -0.06 -0.07 0.40 -3.12 0.00 0.00 179.24 176.39 2kcq h ILE 7 N 0.04 1.27 -0.50 0.35 1.08 -1.63 -1.79 117.51 116.33 2kcq h ILE 7 Ca 0.13 -1.18 0.06 0.00 -0.39 0.00 0.00 64.86 63.48 2kcq h ILE 7 Cb 0.19 1.06 -0.05 0.00 -3.07 0.00 0.00 36.82 34.94 2kcq h ILE 7 CO -0.25 0.41 0.20 -0.07 -0.69 0.00 0.00 178.15 177.75 2kcq h LEU 8 N 0.74 0.23 -0.37 1.44 3.38 -1.15 -0.31 115.31 119.27 2kcq h LEU 8 Ca 0.13 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 2kcq h LEU 8 Cb 0.61 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2kcq h LEU 8 CO 0.04 0.16 -0.29 -0.78 0.09 0.00 0.00 178.44 177.66 2kcq h ASP 9 N 0.39 0.89 -0.56 -0.43 3.58 -1.06 -2.77 116.42 116.46 2kcq h ASP 9 Ca 0.23 -0.44 0.04 0.00 0.42 0.00 0.00 57.03 57.28 2kcq h ASP 9 Cb 0.22 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 2kcq h ASP 9 CO -0.22 1.14 0.37 1.56 -2.88 0.00 0.00 179.24 179.21 2kcq h GLN 10 N 0.64 0.59 -0.52 0.28 4.20 -0.72 0.15 115.11 119.73 2kcq h GLN 10 Ca 0.07 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 2kcq h GLN 10 Cb 0.86 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 2kcq h GLN 10 CO 0.08 0.39 0.25 0.82 -0.67 0.00 0.00 178.83 179.69 2kcq h ILE 11 N 0.60 1.20 -0.46 2.54 1.08 -0.87 -1.90 117.51 119.70 2kcq h ILE 11 Ca 0.23 -0.56 -0.00 0.00 -0.39 0.00 0.00 64.86 64.14 2kcq h ILE 11 Cb 0.16 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 2kcq h ILE 11 CO -0.06 0.22 0.28 0.03 -0.69 0.00 0.00 178.15 177.93 2kcq h ARG 12 N 0.70 0.63 0.02 2.37 3.08 -0.79 -1.97 114.38 118.41 2kcq h ARG 12 Ca 0.18 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 2kcq h ARG 12 Cb 0.12 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2kcq h ARG 12 CO -0.02 0.46 -0.01 0.28 -1.07 0.00 0.00 179.97 179.61 2kcq h VAL 13 N 0.61 1.03 0.00 2.04 2.07 -0.56 -2.03 116.25 119.42 2kcq h VAL 13 Ca 0.17 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2kcq h VAL 13 Cb -0.00 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2kcq h VAL 13 CO -0.03 0.04 -0.28 1.12 0.02 0.00 0.00 177.57 178.44 2kcq h HIS 14 N -0.11 0.00 -0.06 1.57 2.07 -1.33 -0.74 115.15 116.55 2kcq h HIS 14 Ca -0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 2kcq h HIS 14 Cb 0.10 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.07 2kcq h HIS 14 CO -0.05 0.28 0.02 0.78 -3.07 0.00 0.00 177.93 175.89 2kcq h GLY 15 N 1.14 0.11 1.91 6.13 0.00 -0.87 -0.59 103.07 110.89 2kcq h GLY 15 Ca -0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 2kcq h GLY 15 CO 0.04 0.06 -0.46 0.00 0.00 0.00 0.00 176.54 176.18 2kcq h ALA 16 N 0.82 1.16 -0.54 3.60 0.00 -1.14 -0.58 119.26 122.59 2kcq h ALA 16 Ca 0.02 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 2kcq h ALA 16 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2kcq h ALA 16 CO -0.00 0.60 -0.04 0.22 0.00 0.00 0.00 179.25 180.02 2kcq h ASP 17 N 0.08 0.95 0.78 0.00 1.82 -0.95 -3.16 116.42 115.94 2kcq h ASP 17 Ca 0.00 -0.27 -0.21 0.00 -0.39 0.00 0.00 57.03 56.16 2kcq h ASP 17 Cb 0.84 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.56 2kcq h ASP 17 CO 0.06 1.03 -1.33 0.00 -1.61 0.00 0.00 179.24 177.39 2kcq h ALA 18 N 1.07 0.65 -2.79 -0.78 0.00 -0.95 -3.48 119.26 112.98 2kcq h ALA 18 Ca 0.15 -1.01 -0.57 0.00 0.00 0.00 0.00 54.91 53.48 2kcq h ALA 18 Cb 0.57 0.23 0.16 0.00 0.00 0.00 0.00 17.79 18.75 2kcq h ALA 18 CO 0.03 1.16 0.18 0.98 0.00 0.00 0.00 179.25 181.60 2kcq n TYR 19 N -3.06 1.03 1.62 0.00 9.36 -0.24 -1.75 117.16 124.13 2kcq n TYR 19 Ca -0.09 0.45 0.15 0.00 3.32 0.00 0.00 57.90 61.73 2kcq n TYR 19 Cb 0.91 -2.18 0.82 0.00 -0.63 0.00 0.00 39.34 38.27 2kcq n TYR 19 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2kcq n PRO 20 N -0.83 0.63 -2.34 2.98 -0.04 -1.26 -4.99 135.00 129.15 2kcq n PRO 20 Ca 0.13 -0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.22 2kcq n PRO 20 Cb 0.46 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 2kcq n PRO 20 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2kcq s GLU 21 N -2.38 3.70 -1.28 0.54 2.02 -0.71 -4.60 118.70 115.99 2kcq s GLU 21 Ca 0.35 1.63 -0.18 0.00 0.02 0.00 0.00 54.97 56.79 2kcq s GLU 21 Cb 0.21 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 32.20 2kcq s GLU 21 CO 0.43 -0.56 1.88 -0.85 0.02 0.00 0.00 175.26 176.17 2kcq n GLU 22 N -0.74 2.74 -2.03 1.61 0.00 -1.26 -4.75 120.64 116.20 2kcq n GLU 22 Ca 0.09 -2.92 -0.39 0.00 0.00 0.00 0.00 57.16 53.94 2kcq n GLU 22 Cb 0.50 -3.47 -0.03 0.00 0.00 0.00 0.00 31.44 28.44 2kcq n GLU 22 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2kcq s GLY 23 N 4.50 0.21 0.50 -1.84 0.00 -1.26 -4.70 107.32 104.73 2kcq s GLY 23 Ca 0.56 -0.62 0.06 0.00 0.00 0.00 0.00 44.72 44.72 2kcq s GLY 23 CO 0.06 3.43 0.34 0.00 0.00 0.00 0.00 173.10 176.92 2kcq n GLY 25 N -1.62 -0.58 3.40 0.00 0.00 -1.17 -1.99 105.19 103.24 2kcq n GLY 25 Ca -0.02 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 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 2.28 -0.25 1.61 0.08 -0.24 -2.27 117.98 115.99 2kcq s PHE 26 Ca 0.00 -0.37 -0.11 0.00 0.12 0.00 0.00 56.93 56.57 2kcq s PHE 26 Cb 0.00 -1.18 -0.05 0.00 -0.57 0.00 0.00 43.02 41.22 2kcq s PHE 26 CO 0.00 0.41 0.17 -0.51 -0.10 0.00 0.00 175.22 175.19 2kcq s LEU 27 N -2.35 4.08 -0.16 -0.37 1.43 0.67 -1.50 118.68 120.48 2kcq s LEU 27 Ca 0.17 0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.28 2kcq s LEU 27 Cb -0.09 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2kcq s LEU 27 CO 0.08 0.03 0.04 -0.76 0.23 0.00 0.00 176.35 175.96 2kcq s LEU 28 N 1.29 3.70 0.00 1.79 1.43 0.01 -2.43 118.68 124.48 2kcq s LEU 28 Ca 0.07 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2kcq s LEU 28 Cb -0.14 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.17 2kcq s LEU 28 CO 0.07 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.47 2kcq n GLY 29 N 3.24 1.34 3.04 -3.19 0.00 -0.70 -0.93 105.19 107.99 2kcq n GLY 29 Ca -0.17 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2kcq n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kcq s THR 30 N -1.91 0.47 -0.16 2.61 -4.23 -0.83 -0.70 115.64 110.88 2kcq s THR 30 Ca 0.00 -0.95 -0.11 0.00 -1.18 0.00 0.00 61.69 59.45 2kcq s THR 30 Cb 0.00 -0.53 -0.05 0.00 1.34 0.00 0.00 72.50 73.26 2kcq s THR 30 CO 0.00 -0.33 0.21 -0.69 -0.54 0.00 0.00 174.62 173.26 2kcq s VAL 31 N -1.23 5.36 1.09 2.29 1.01 -1.26 -1.82 120.40 125.85 2kcq s VAL 31 Ca -0.09 0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 2kcq s VAL 31 Cb -0.09 -3.53 0.24 0.00 0.00 0.00 0.00 36.38 33.00 2kcq s VAL 31 CO 0.00 0.45 1.17 0.42 0.00 0.00 0.00 175.10 177.15 2kcq s THR 32 N 0.14 1.78 0.36 3.92 -4.23 0.17 -4.89 115.64 112.89 2kcq s THR 32 Ca 0.13 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.81 2kcq s THR 32 Cb -0.12 -2.67 0.15 0.00 1.34 0.00 0.00 72.50 71.20 2kcq s THR 32 CO 0.02 0.00 1.88 0.44 -0.54 0.00 0.00 174.62 176.42 2kcq h ASP 33 N -2.15 0.00 0.78 3.99 3.32 -1.97 -2.65 116.42 117.73 2kcq h ASP 33 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2kcq h ASP 33 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2kcq h ASP 33 CO 0.40 0.30 -0.45 0.47 -1.72 0.00 0.00 179.24 178.23 2kcq n ASP 34 N -3.93 0.53 0.00 6.45 9.92 -1.26 -4.93 116.55 123.34 2kcq n ASP 34 Ca -0.02 0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 2kcq n ASP 34 Cb 0.37 0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 2kcq n ASP 34 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kcq n GLY 35 N 1.42 1.28 3.75 0.44 0.00 -1.00 -5.09 105.19 106.00 2kcq n GLY 35 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2kcq n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kcq s ASP 36 N -2.00 7.44 -0.41 1.61 1.01 -1.26 -4.77 116.67 118.29 2kcq s ASP 36 Ca 0.00 2.12 -0.13 0.00 0.71 0.00 0.00 52.55 55.25 2kcq s ASP 36 Cb 0.00 -2.62 0.04 0.00 1.01 0.00 0.00 42.92 41.35 2kcq s ASP 36 CO 0.00 -0.01 0.28 0.20 0.21 0.00 0.00 175.17 175.85 2kcq s ASN 37 N -0.98 5.93 -0.10 0.27 -0.87 -1.26 -0.66 114.94 117.27 2kcq s ASN 37 Ca 0.43 -1.07 -0.00 0.00 -1.57 0.00 0.00 52.86 50.64 2kcq s ASN 37 Cb -0.29 -2.09 -0.03 0.00 -0.02 0.00 0.00 41.25 38.82 2kcq s ASN 37 CO 0.37 -0.47 -0.06 0.00 -2.57 0.00 0.00 177.10 174.36 2kcq s ARG 38 N 1.60 3.05 -0.23 -0.60 1.70 -0.76 -1.57 118.95 122.14 2kcq s ARG 38 Ca 0.03 -0.55 -0.06 0.00 -0.47 0.00 0.00 55.73 54.68 2kcq s ARG 38 Cb -0.20 -2.68 -0.02 0.00 -0.57 0.00 0.00 34.95 31.47 2kcq s ARG 38 CO 0.07 0.52 0.03 0.08 -1.08 0.00 0.00 175.30 174.92 2kcq s VAL 39 N -0.41 4.05 -0.07 4.99 1.01 -1.10 -1.97 120.40 126.90 2kcq s VAL 39 Ca 0.06 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.84 2kcq s VAL 39 Cb -0.12 -2.87 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 2kcq s VAL 39 CO 0.02 0.38 0.02 0.00 0.00 0.00 0.00 175.10 175.52 2kcq n ALA 40 N 4.72 1.82 -2.56 5.51 0.00 -0.64 -4.69 120.51 124.68 2kcq n ALA 40 Ca -0.17 -0.47 -0.13 0.00 0.00 0.00 0.00 53.44 52.67 2kcq n ALA 40 Cb 0.51 0.11 -0.11 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.17 0.83 0.09 0.00 0.00 -0.10 -5.04 121.76 115.37 2kcq s ALA 41 Ca -0.04 -1.04 0.08 0.00 0.00 0.00 0.00 51.96 50.96 2kcq s ALA 41 Cb 0.02 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2kcq s ALA 41 CO 0.29 -0.08 -0.18 -0.51 0.00 0.00 0.00 175.76 175.28 2kcq s LEU 42 N -2.21 2.66 -0.08 0.00 1.43 -1.26 -0.81 118.68 118.41 2kcq s LEU 42 Ca 0.00 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2kcq s LEU 42 Cb -0.04 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.68 2kcq s LEU 42 CO -0.01 0.20 -0.03 -2.28 0.23 0.00 0.00 176.35 174.46 2kcq s HIS 43 N -1.07 0.90 0.06 0.29 2.46 -0.56 -4.91 115.29 112.47 2kcq s HIS 43 Ca 0.17 -0.32 -0.18 0.00 0.47 0.00 0.00 55.06 55.19 2kcq s HIS 43 Cb -0.11 -0.89 -0.06 0.00 -0.13 0.00 0.00 32.58 31.39 2kcq s HIS 43 CO 0.08 -0.35 0.53 1.03 -2.47 0.00 0.00 174.74 173.57 2kcq s ARG 44 N 1.67 4.13 -0.59 2.88 0.52 -1.26 -1.08 118.95 125.22 2kcq s ARG 44 Ca 0.01 0.65 -0.26 0.00 -0.52 0.00 0.00 55.73 55.62 2kcq s ARG 44 Cb -0.13 -3.22 -0.10 0.00 0.52 0.00 0.00 34.95 32.02 2kcq s ARG 44 CO -0.05 0.64 2.44 0.00 0.02 0.00 0.00 175.30 178.35 2kcq n ALA 45 N 1.69 0.67 -3.08 2.13 0.00 -0.84 -4.89 120.51 116.20 2kcq n ALA 45 Ca -0.11 -0.97 -0.12 0.00 0.00 0.00 0.00 53.44 52.25 2kcq n ALA 45 Cb 0.51 -3.14 -0.11 0.00 0.00 0.00 0.00 19.45 16.71 2kcq n ALA 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2kcq s THR 46 N 12.26 0.05 -0.53 0.00 2.01 -1.26 -4.95 115.64 123.23 2kcq s THR 46 Ca 1.01 -0.43 -0.28 0.00 0.31 0.00 0.00 61.69 62.30 2kcq s THR 46 Cb -0.26 -0.36 0.02 0.00 0.01 0.00 0.00 72.50 71.91 2kcq s THR 46 CO 0.25 -0.24 1.38 0.54 -0.69 0.00 0.00 174.62 175.86 2kcq s ASN 47 N -0.82 6.23 -0.83 3.53 2.20 -1.26 -2.54 114.94 121.45 2kcq s ASN 47 Ca -0.09 0.40 -0.25 0.00 -0.94 0.00 0.00 52.86 51.97 2kcq s ASN 47 Cb -0.05 -2.55 -0.00 0.00 -2.00 0.00 0.00 41.25 36.65 2kcq s ASN 47 CO 0.01 -1.60 1.69 -0.60 -2.94 0.00 0.00 177.10 173.65 2kcq s ARG 48 N 5.27 2.93 -0.65 3.55 3.52 -1.26 -4.87 118.95 127.44 2kcq s ARG 48 Ca 0.53 -0.25 -0.21 0.00 -0.13 0.00 0.00 55.73 55.67 2kcq s ARG 48 Cb -0.11 -4.80 0.08 0.00 -1.56 0.00 0.00 34.95 28.56 2kcq s ARG 48 CO 0.27 -2.71 0.90 -0.98 -0.81 0.00 0.00 175.30 171.97 2kcq s ARG 49 N 6.30 3.11 0.00 5.12 1.70 -1.26 -4.93 118.95 129.00 2kcq s ARG 49 Ca 0.57 -1.00 0.00 0.00 -0.47 0.00 0.00 55.73 54.84 2kcq s ARG 49 Cb -0.07 -4.26 0.00 0.00 -0.57 0.00 0.00 34.95 30.05 2kcq s ARG 49 CO 0.05 -1.75 0.00 0.45 -1.08 0.00 0.00 175.30 172.98 2kcq n SER 50 N 7.31 0.08 -4.78 -2.89 2.88 -1.26 -5.08 113.62 109.88 2kcq n SER 50 Ca -0.04 -0.01 -0.36 0.00 -1.33 0.00 0.00 58.87 57.12 2kcq n SER 50 Cb 0.45 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.86 2kcq n SER 50 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2kcq s GLU 51 N 2.86 4.21 0.72 -1.46 1.03 -1.26 -5.06 118.70 119.74 2kcq s GLU 51 Ca 0.00 1.46 -0.00 0.00 0.03 0.00 0.00 54.97 56.46 2kcq s GLU 51 Cb 0.00 -2.54 0.13 0.00 -0.80 0.00 0.00 34.13 30.92 2kcq s GLU 51 CO 0.00 -0.09 0.99 -0.65 -1.33 0.00 0.00 175.26 174.18 2kcq s GLN 52 N -2.50 1.67 0.00 -4.83 -1.52 -1.26 -4.38 119.66 106.83 2kcq s GLN 52 Ca 0.57 -1.15 0.00 0.00 -1.95 0.00 0.00 55.36 52.83 2kcq s GLN 52 Cb -0.21 -2.34 0.00 0.00 -0.22 0.00 0.00 33.01 30.25 2kcq s GLN 52 CO 0.26 -1.45 0.00 0.54 -0.25 0.00 0.00 175.29 174.39 2kcq n ARG 53 N -2.83 -0.91 -0.08 2.91 1.74 -1.26 -4.84 116.66 111.39 2kcq n ARG 53 Ca 0.15 0.23 0.08 0.00 -0.77 0.00 0.00 57.85 57.54 2kcq n ARG 53 Cb 0.61 -4.04 0.32 0.00 -1.02 0.00 0.00 32.46 28.33 2kcq n ARG 53 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2kcq n THR 54 N -2.35 0.22 -4.64 0.55 5.66 -1.26 -5.03 114.28 107.43 2kcq n THR 54 Ca 0.00 -0.29 0.01 0.00 -3.05 0.00 0.00 64.05 60.72 2kcq n THR 54 Cb 0.23 0.19 -0.00 0.00 -1.55 0.00 0.00 70.33 69.20 2kcq n THR 54 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kcq n ARG 55 N 0.12 -0.12 -3.30 1.09 1.74 -1.26 -4.97 116.66 109.96 2kcq n ARG 55 Ca 0.13 0.08 -0.17 0.00 -0.77 0.00 0.00 57.85 57.12 2kcq n ARG 55 Cb 0.25 -0.14 0.07 0.00 -1.02 0.00 0.00 32.46 31.62 2kcq n ARG 55 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2kcq n ARG 56 N -1.73 -2.48 -0.10 5.56 5.12 -1.26 -5.02 116.66 116.74 2kcq n ARG 56 Ca 0.00 0.83 0.00 0.00 -1.93 0.00 0.00 57.85 56.75 2kcq n ARG 56 Cb 0.03 -5.69 0.00 0.00 -1.16 0.00 0.00 32.46 25.63 2kcq n ARG 56 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2kcq n TYR 57 N -3.38 -1.84 -1.13 -1.55 4.01 -1.26 -4.42 117.16 107.60 2kcq n TYR 57 Ca -0.09 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.61 2kcq n TYR 57 Cb 0.62 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.63 2kcq n TYR 57 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2kcq n GLU 58 N -0.48 -0.76 -2.07 -0.72 -0.58 -1.26 -4.99 120.64 109.78 2kcq n GLU 58 Ca 0.00 0.51 -0.39 0.00 -0.42 0.00 0.00 57.16 56.86 2kcq n GLU 58 Cb 0.00 -4.27 -0.00 0.00 -0.57 0.00 0.00 31.44 26.59 2kcq n GLU 58 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 2kcq s LEU 59 N -1.00 4.18 -0.27 -4.62 0.05 -1.26 -5.01 118.68 110.74 2kcq s LEU 59 Ca 0.00 2.61 0.01 0.00 0.05 0.00 0.00 54.13 56.80 2kcq s LEU 59 Cb 0.00 -3.96 0.08 0.00 -2.05 0.00 0.00 46.19 40.26 2kcq s LEU 59 CO 0.00 -0.88 -0.01 -0.89 -0.55 0.00 0.00 176.35 174.02 2kcq s THR 60 N -1.29 1.63 0.77 5.48 2.01 -1.26 -5.08 115.64 117.90 2kcq s THR 60 Ca 0.58 -1.54 -0.12 0.00 0.31 0.00 0.00 61.69 60.93 2kcq s THR 60 Cb -0.37 -2.01 0.06 0.00 0.01 0.00 0.00 72.50 70.19 2kcq s THR 60 CO 0.47 -0.31 1.14 0.00 -0.69 0.00 0.00 174.62 175.23 2kcq s ALA 61 N 1.30 2.70 0.00 7.40 0.00 -1.26 -2.61 121.76 129.29 2kcq s ALA 61 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2kcq s ALA 61 Cb -0.19 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2kcq s ALA 61 CO -0.10 -1.49 0.00 -0.25 0.00 0.00 0.00 175.76 173.92 2kcq n ASP 62 N -3.22 0.00 -2.03 0.00 8.00 -1.05 -4.85 116.55 113.40 2kcq n ASP 62 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 2kcq n ASP 62 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 2kcq n ASP 62 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2kcq n ASP 63 N 1.40 0.00 -0.24 -2.24 2.03 -1.26 -4.28 116.55 111.96 2kcq n ASP 63 Ca 0.00 -0.78 -0.05 0.00 0.52 0.00 0.00 54.79 54.48 2kcq n ASP 63 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 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 -0.56 0.85 -0.89 -0.67 3.20 -1.89 -3.02 116.97 113.98 2kcq h TYR 64 Ca 0.00 0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.04 2kcq h TYR 64 Cb 0.00 -0.28 -0.07 0.00 1.54 0.00 0.00 36.73 37.91 2kcq h TYR 64 CO 0.00 0.52 0.57 0.00 -1.64 0.00 0.00 178.16 177.62 2kcq h ARG 65 N 0.91 0.66 -0.14 1.82 3.08 -1.94 0.50 114.38 119.27 2kcq h ARG 65 Ca 0.26 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 60.07 2kcq h ARG 65 Cb -0.08 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 29.83 2kcq h ARG 65 CO -0.07 0.44 -0.67 0.00 -1.07 0.00 0.00 179.97 178.61 2kcq h ALA 66 N 1.60 0.26 -0.22 0.04 0.00 -1.37 -2.51 119.26 117.07 2kcq h ALA 66 Ca 0.45 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2kcq h ALA 66 Cb 0.73 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2kcq h ALA 66 CO -0.21 0.56 -0.34 0.00 0.00 0.00 0.00 179.25 179.26 2kcq h ALA 67 N 0.52 1.00 -0.40 0.00 0.00 -1.22 -1.90 119.26 117.26 2kcq h ALA 67 Ca -0.04 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.49 2kcq h ALA 67 Cb 1.30 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2kcq h ALA 67 CO 0.14 0.60 0.22 0.22 0.00 0.00 0.00 179.25 180.43 2kcq h ASP 68 N 0.40 0.33 -0.02 0.00 3.58 -0.01 -0.18 116.42 120.52 2kcq h ASP 68 Ca 0.05 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2kcq h ASP 68 Cb 0.79 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 2kcq h ASP 68 CO 0.06 0.24 -0.01 0.00 -2.88 0.00 0.00 179.24 176.65 2kcq h ALA 69 N 1.20 0.03 -0.27 -0.78 0.00 -1.28 -2.79 119.26 115.36 2kcq h ALA 69 Ca 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2kcq h ALA 69 Cb 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2kcq h ALA 69 CO -0.10 -0.24 0.10 0.00 0.00 0.00 0.00 179.25 179.01 2kcq h ALA 70 N 0.57 1.68 0.17 0.00 0.00 -1.28 -0.39 119.26 120.00 2kcq h ALA 70 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2kcq h ALA 70 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2kcq h ALA 70 CO 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 179.25 179.43 2kcq h ALA 71 N 1.74 -0.23 -0.45 0.00 0.00 -0.98 -1.71 119.26 117.64 2kcq h ALA 71 Ca 0.10 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2kcq h ALA 71 Cb 0.09 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kcq h ALA 71 CO -0.01 -0.56 0.01 1.96 0.00 0.00 0.00 179.25 180.65 2kcq h GLN 72 N -0.36 0.72 -0.65 0.00 4.20 -1.14 0.27 115.11 118.16 2kcq h GLN 72 Ca -0.02 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2kcq h GLN 72 Cb 0.28 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 2kcq h GLN 72 CO 0.04 0.72 0.41 0.93 -0.67 0.00 0.00 178.83 180.26 2kcq h GLU 73 N 0.68 0.86 -0.01 1.46 5.08 -0.97 -1.25 114.58 120.44 2kcq h GLU 73 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2kcq h GLU 73 Cb 0.40 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2kcq h GLU 73 CO 0.01 0.58 -0.11 1.04 -1.00 0.00 0.00 179.01 179.54 2kcq n GLN 74 N -4.42 0.96 -1.56 2.33 6.02 -0.65 -4.91 117.38 115.14 2kcq n GLN 74 Ca 0.07 -0.42 0.00 0.00 -0.01 0.00 0.00 57.00 56.64 2kcq n GLN 74 Cb 0.05 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.82 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 1.24 0.44 2.95 1.08 0.00 -0.47 -5.05 105.19 105.39 2kcq n GLY 75 Ca 0.16 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.19 0.99 4.77 0.86 -4.95 117.00 114.47 2kcq n LEU 76 Ca 0.00 -2.70 -0.16 0.00 -0.03 0.00 0.00 56.01 53.12 2kcq n LEU 76 Cb 0.31 0.73 -0.07 0.00 -2.33 0.00 0.00 43.42 42.06 2kcq n LEU 76 CO 0.00 -0.41 -0.04 1.51 -1.33 0.00 0.00 177.39 177.12 2kcq s ASP 77 N -3.23 1.07 -0.67 -1.43 -4.77 0.12 -2.88 116.67 104.88 2kcq s ASP 77 Ca 0.13 -1.57 -0.26 0.00 -3.30 0.00 0.00 52.55 47.55 2kcq s ASP 77 Cb 0.01 0.56 0.04 0.00 -1.09 0.00 0.00 42.92 42.43 2kcq s ASP 77 CO 0.09 -1.10 1.17 -0.69 0.70 0.00 0.00 175.17 175.34 2kcq s VAL 78 N -3.48 3.96 -0.37 2.11 1.01 -1.26 -1.72 120.40 120.64 2kcq s VAL 78 Ca 0.36 0.37 0.22 0.00 0.00 0.00 0.00 61.98 62.94 2kcq s VAL 78 Cb 0.02 -4.80 -0.15 0.00 0.00 0.00 0.00 36.38 31.45 2kcq s VAL 78 CO 0.22 -1.60 0.87 1.33 0.00 0.00 0.00 175.10 175.92 2kcq n VAL 79 N 6.34 0.23 -3.80 2.92 0.24 -1.02 -4.96 118.33 118.29 2kcq n VAL 79 Ca 0.03 -0.38 -0.04 0.00 -2.04 0.00 0.00 64.34 61.90 2kcq n VAL 79 Cb 0.48 0.05 -0.01 0.00 -1.47 0.00 0.00 33.84 32.89 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 -4.04 -0.10 0.09 7.63 0.00 -1.18 -2.01 107.32 107.71 2kcq s GLY 80 Ca -0.00 -0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.64 2kcq s GLY 80 CO 0.83 0.32 -0.07 0.14 0.00 0.00 0.00 173.10 174.32 2kcq s VAL 81 N -3.14 0.74 0.02 1.40 1.01 0.24 -0.24 120.40 120.43 2kcq s VAL 81 Ca 0.14 -1.77 0.01 0.00 0.00 0.00 0.00 61.98 60.36 2kcq s VAL 81 Cb -0.03 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2kcq s VAL 81 CO 0.04 -0.74 -0.05 -0.72 0.00 0.00 0.00 175.10 173.63 2kcq s TYR 82 N -3.09 0.42 0.08 5.22 -0.85 -0.96 -0.51 117.35 117.67 2kcq s TYR 82 Ca 0.08 -0.31 0.09 0.00 -0.52 0.00 0.00 57.07 56.41 2kcq s TYR 82 Cb 0.02 -0.27 -0.03 0.00 0.38 0.00 0.00 41.96 42.06 2kcq s TYR 82 CO -0.03 -0.07 -0.23 -1.01 -1.52 0.00 0.00 175.55 172.69 2kcq s HIS 83 N -0.81 2.04 -0.05 -3.49 3.76 -0.34 -3.04 115.29 113.35 2kcq s HIS 83 Ca -0.06 -0.39 -0.00 0.00 -0.15 0.00 0.00 55.06 54.45 2kcq s HIS 83 Cb -0.06 -1.17 -0.03 0.00 1.11 0.00 0.00 32.58 32.43 2kcq s HIS 83 CO -0.00 0.18 0.00 0.45 -0.85 0.00 0.00 174.74 174.52 2kcq s SER 84 N -1.57 5.17 -0.08 1.40 0.15 -1.26 -2.86 113.70 114.65 2kcq s SER 84 Ca 0.10 0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.81 2kcq s SER 84 Cb -0.10 -1.41 -0.03 0.00 -1.71 0.00 0.00 66.02 62.77 2kcq s SER 84 CO 0.03 0.34 0.00 -1.00 1.20 0.00 0.00 173.24 173.82 2kcq s HIS 85 N -0.96 3.15 -2.22 3.44 3.76 -1.25 -4.70 115.29 116.51 2kcq s HIS 85 Ca 0.16 0.18 0.24 0.00 -0.15 0.00 0.00 55.06 55.49 2kcq s HIS 85 Cb -0.11 -1.78 0.16 0.00 1.11 0.00 0.00 32.58 31.96 2kcq s HIS 85 CO 0.05 0.47 1.20 -0.35 -0.85 0.00 0.00 174.74 175.27 2kcq n PRO 86 N 2.07 1.42 -3.72 8.40 -0.04 -1.26 -4.55 135.00 137.33 2kcq n PRO 86 Ca -0.18 -1.13 -0.12 0.00 -0.04 0.00 0.00 63.50 62.02 2kcq n PRO 86 Cb 0.54 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 2kcq n PRO 86 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2kcq s ASP 87 N -2.36 -0.48 0.45 3.54 2.15 -1.26 -4.96 116.67 113.75 2kcq s ASP 87 Ca 0.22 0.88 0.00 0.00 0.43 0.00 0.00 52.55 54.08 2kcq s ASP 87 Cb 0.19 0.84 0.00 0.00 -0.30 0.00 0.00 42.92 43.65 2kcq s ASP 87 CO 0.50 -0.17 0.00 1.41 -0.17 0.00 0.00 175.17 176.75 2kcq n HIS 88 N 3.37 -2.79 -0.35 -5.34 8.25 -1.26 -4.98 115.22 112.12 2kcq n HIS 88 Ca -0.17 1.54 -0.06 0.00 -0.26 0.00 0.00 57.72 58.77 2kcq n HIS 88 Cb 0.56 -2.54 0.06 0.00 1.12 0.00 0.00 29.99 29.19 2kcq n HIS 88 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2kcq n PRO 89 N -3.69 -2.00 -2.71 -0.41 -0.02 -1.26 -4.86 135.00 120.05 2kcq n PRO 89 Ca -0.07 -0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 60.63 2kcq n PRO 89 Cb 0.49 -0.38 -0.00 0.00 -0.02 0.00 0.00 33.50 33.59 2kcq n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kcq s ALA 90 N -2.55 3.51 0.00 3.55 0.00 -1.26 -4.89 121.76 120.12 2kcq s ALA 90 Ca 0.15 -3.02 -0.07 0.00 0.00 0.00 0.00 51.96 49.02 2kcq s ALA 90 Cb -0.02 -4.45 0.00 0.00 0.00 0.00 0.00 23.12 18.65 2kcq s ALA 90 CO 0.12 -3.14 0.12 1.03 0.00 0.00 0.00 175.76 173.89 2kcq s ARG 91 N 3.36 0.45 0.11 0.00 1.81 -1.26 -4.82 118.95 118.60 2kcq s ARG 91 Ca 0.49 -0.38 -0.31 0.00 -1.72 0.00 0.00 55.73 53.81 2kcq s ARG 91 Cb 0.01 0.19 -0.10 0.00 -0.45 0.00 0.00 34.95 34.60 2kcq s ARG 91 CO 0.04 -0.10 1.75 -1.25 -0.68 0.00 0.00 175.30 175.06 2kcq s PRO 92 N -1.31 4.16 0.62 3.54 0.04 -1.26 -5.01 135.00 135.78 2kcq s PRO 92 Ca -0.14 2.50 0.07 0.00 0.04 0.00 0.00 61.00 63.46 2kcq s PRO 92 Cb -0.07 -3.56 0.10 0.00 0.04 0.00 0.00 34.50 31.01 2kcq s PRO 92 CO 0.01 -0.79 0.86 0.45 0.04 0.00 0.00 177.00 177.57 2kcq s SER 93 N 2.50 4.84 0.02 6.66 0.15 -1.26 -4.90 113.70 121.71 2kcq s SER 93 Ca 0.78 -0.72 -0.24 0.00 0.70 0.00 0.00 55.95 56.46 2kcq s SER 93 Cb -0.44 0.25 -0.17 0.00 -1.71 0.00 0.00 66.02 63.94 2kcq s SER 93 CO 0.35 -1.53 1.43 0.00 1.20 0.00 0.00 173.24 174.69 2kcq h ALA 94 N -0.05 0.04 0.03 5.45 0.00 -1.99 0.66 119.26 123.40 2kcq h ALA 94 Ca -0.31 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 2kcq h ALA 94 Cb 1.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2kcq h ALA 94 CO 0.40 -0.29 -0.99 1.15 0.00 0.00 0.00 179.25 179.52 2kcq h THR 95 N -0.26 1.54 -0.90 0.00 2.02 -1.98 -1.98 112.91 111.35 2kcq h THR 95 Ca 0.01 -2.90 0.02 0.00 0.77 0.00 0.00 66.41 64.31 2kcq h THR 95 Cb 0.34 2.67 -0.05 0.00 -1.74 0.00 0.00 68.15 69.37 2kcq h THR 95 CO 0.00 0.84 0.60 -0.78 0.37 0.00 0.00 175.52 176.55 2kcq h ASP 96 N 0.08 1.01 -0.20 4.18 3.58 -1.94 0.49 116.42 123.62 2kcq h ASP 96 Ca -0.06 -0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.30 2kcq h ASP 96 Cb 1.68 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 42.48 2kcq h ASP 96 CO 0.15 0.72 -0.15 0.25 -2.88 0.00 0.00 179.24 177.33 2kcq h LEU 97 N 1.19 0.48 -1.85 2.28 7.12 -0.77 -3.25 115.31 120.51 2kcq h LEU 97 Ca 0.34 -0.45 -0.03 0.00 0.13 0.00 0.00 57.88 57.87 2kcq h LEU 97 Cb -0.07 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 39.92 2kcq h LEU 97 CO -0.09 0.83 -0.14 -0.33 -0.13 0.00 0.00 178.44 178.58 2kcq h GLU 98 N 0.14 0.00 -0.01 1.25 5.08 -0.54 0.35 114.58 120.85 2kcq h GLU 98 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2kcq h GLU 98 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2kcq h GLU 98 CO 0.04 0.14 0.00 0.39 -1.00 0.00 0.00 179.01 178.58 2kcq n GLU 99 N -3.80 1.04 -3.58 2.33 1.02 0.08 -4.20 120.64 113.52 2kcq n GLU 99 Ca -0.02 -0.05 -0.28 0.00 -0.02 0.00 0.00 57.16 56.79 2kcq n GLU 99 Cb 0.24 -1.28 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 2kcq n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kcq s ALA 100 N -1.99 2.19 -1.32 0.62 0.00 0.11 -4.87 121.76 116.50 2kcq s ALA 100 Ca 0.27 -2.86 0.11 0.00 0.00 0.00 0.00 51.96 49.48 2kcq s ALA 100 Cb 0.12 -1.80 0.16 0.00 0.00 0.00 0.00 23.12 21.60 2kcq s ALA 100 CO 0.21 -2.03 0.98 -2.37 0.00 0.00 0.00 175.76 172.55 2kcq n THR 101 N 2.71 0.28 -3.60 0.00 5.66 -1.26 -4.83 114.28 113.24 2kcq n THR 101 Ca 0.24 -0.64 -0.39 0.00 -3.05 0.00 0.00 64.05 60.21 2kcq n THR 101 Cb 0.42 1.04 -0.07 0.00 -1.55 0.00 0.00 70.33 70.16 2kcq n THR 101 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2kcq s PHE 102 N -0.98 3.55 0.42 1.09 -0.71 -1.26 -4.94 117.98 115.15 2kcq s PHE 102 Ca 0.17 -2.56 -0.25 0.00 -1.04 0.00 0.00 56.93 53.24 2kcq s PHE 102 Cb 0.10 -3.37 -0.08 0.00 -1.21 0.00 0.00 43.02 38.46 2kcq s PHE 102 CO 0.15 -0.87 1.25 -1.25 -1.34 0.00 0.00 175.22 173.16 2kcq s PRO 103 N -0.16 3.91 0.00 1.99 0.04 -1.26 -4.47 135.00 135.05 2kcq s PRO 103 Ca 0.18 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2kcq s PRO 103 Cb -0.16 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.72 2kcq s PRO 103 CO -0.06 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.90 2kcq n GLY 104 N 0.64 3.10 3.92 0.56 0.00 -1.26 -5.05 105.19 107.10 2kcq n GLY 104 Ca 0.05 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 3.41 -0.22 1.61 0.08 -1.26 -4.99 117.98 116.61 2kcq s PHE 105 Ca 0.00 0.60 -0.18 0.00 0.12 0.00 0.00 56.93 57.47 2kcq s PHE 105 Cb 0.00 -2.38 -0.03 0.00 -0.57 0.00 0.00 43.02 40.04 2kcq s PHE 105 CO 0.00 -0.40 0.50 0.99 -0.10 0.00 0.00 175.22 176.22 2kcq s THR 106 N -2.73 5.11 -0.34 0.64 2.01 -0.85 -4.08 115.64 115.40 2kcq s THR 106 Ca 0.48 0.90 -0.11 0.00 0.31 0.00 0.00 61.69 63.27 2kcq s THR 106 Cb -0.10 -3.82 -0.00 0.00 0.01 0.00 0.00 72.50 68.58 2kcq s THR 106 CO 0.43 0.16 0.20 -0.31 -0.69 0.00 0.00 174.62 174.41 2kcq s TYR 107 N 1.81 3.21 -0.22 4.92 2.02 0.96 -0.59 117.35 129.46 2kcq s TYR 107 Ca 0.22 -0.50 -0.12 0.00 -0.37 0.00 0.00 57.07 56.31 2kcq s TYR 107 Cb -0.15 -2.43 -0.05 0.00 -0.40 0.00 0.00 41.96 38.93 2kcq s TYR 107 CO 0.09 -0.46 0.21 0.08 -1.57 0.00 0.00 175.55 173.90 2kcq s VAL 108 N 1.65 5.34 -0.18 0.71 1.01 0.34 0.11 120.40 129.37 2kcq s VAL 108 Ca 0.05 0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 2kcq s VAL 108 Cb -0.18 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 2kcq s VAL 108 CO 0.08 0.35 -0.04 -0.63 0.00 0.00 0.00 175.10 174.86 2kcq s ILE 109 N 0.94 3.71 -0.15 2.22 1.01 0.14 -1.20 121.20 127.87 2kcq s ILE 109 Ca 0.10 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 2kcq s ILE 109 Cb -0.13 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 2kcq s ILE 109 CO 0.04 0.47 0.06 0.54 0.00 0.00 0.00 174.94 176.05 2kcq s VAL 110 N 0.73 4.83 -0.49 2.92 0.11 -1.14 -0.91 120.40 126.45 2kcq s VAL 110 Ca -0.02 -0.03 -0.21 0.00 -2.93 0.00 0.00 61.98 58.79 2kcq s VAL 110 Cb -0.15 -3.14 0.04 0.00 -1.53 0.00 0.00 36.38 31.61 2kcq s VAL 110 CO 0.02 0.52 0.72 -0.55 -3.33 0.00 0.00 175.10 172.47 2kcq s SER 111 N -0.13 6.29 -0.13 3.54 0.15 -0.03 -3.88 113.70 119.50 2kcq s SER 111 Ca 0.07 -0.56 0.01 0.00 0.70 0.00 0.00 55.95 56.17 2kcq s SER 111 Cb -0.12 -2.34 0.02 0.00 -1.71 0.00 0.00 66.02 61.87 2kcq s SER 111 CO 0.01 -0.94 -0.15 -0.69 1.20 0.00 0.00 173.24 172.67 2kcq s VAL 112 N 3.04 1.56 -0.45 4.45 1.01 -1.26 0.33 120.40 129.08 2kcq s VAL 112 Ca 0.22 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.57 2kcq s VAL 112 Cb -0.16 -1.44 0.12 0.00 0.00 0.00 0.00 36.38 34.90 2kcq s VAL 112 CO 0.16 0.45 0.20 -0.13 0.00 0.00 0.00 175.10 175.79 2kcq s ARG 113 N 1.28 1.89 -0.62 2.72 0.52 0.13 -4.81 118.95 120.05 2kcq s ARG 113 Ca 0.00 -2.21 -0.14 0.00 -0.52 0.00 0.00 55.73 52.86 2kcq s ARG 113 Cb -0.14 -3.38 0.02 0.00 0.52 0.00 0.00 34.95 31.97 2kcq s ARG 113 CO -0.07 -1.05 0.64 -3.47 0.02 0.00 0.00 175.30 171.37 2kcq n ASP 114 N 3.82 -6.41 0.00 0.23 2.03 -1.26 -2.37 116.55 112.58 2kcq n ASP 114 Ca 0.04 -0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.14 2kcq n ASP 114 Cb 0.38 -3.35 0.00 0.00 -0.72 0.00 0.00 41.12 37.43 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 -0.98 2.98 3.50 0.27 0.00 -1.26 -4.96 105.19 104.74 2kcq n GLY 115 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.03 3.44 -0.42 4.61 0.00 -1.00 -4.80 121.76 122.55 2kcq s ALA 116 Ca 0.00 -1.41 -0.29 0.00 0.00 0.00 0.00 51.96 50.26 2kcq s ALA 116 Cb 0.00 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 20.11 2kcq s ALA 116 CO 0.00 -1.49 1.19 -2.14 0.00 0.00 0.00 175.76 173.32 2kcq s PRO 117 N 2.18 3.77 0.00 0.00 0.02 -1.26 0.18 135.00 139.89 2kcq s PRO 117 Ca 0.13 0.78 0.00 0.00 0.02 0.00 0.00 61.00 61.93 2kcq s PRO 117 Cb -0.17 -3.90 0.00 0.00 0.02 0.00 0.00 34.50 30.46 2kcq s PRO 117 CO 0.14 -1.31 0.00 -1.91 -0.33 0.00 0.00 177.00 173.59 2kcq n GLU 118 N 7.67 0.00 -3.93 5.54 2.13 0.15 -5.00 120.64 127.21 2kcq n GLU 118 Ca 0.13 0.03 -0.08 0.00 0.66 0.00 0.00 57.16 57.90 2kcq n GLU 118 Cb 0.48 -0.34 -0.08 0.00 0.27 0.00 0.00 31.44 31.77 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 -4.27 -0.02 -0.16 4.31 0.00 -1.21 -4.99 121.76 115.42 2kcq s ALA 119 Ca 0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 2kcq s ALA 119 Cb 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 2kcq s ALA 119 CO 0.00 -0.44 0.07 -0.51 0.00 0.00 0.00 175.76 174.87 2kcq s LEU 120 N -2.75 3.88 -0.10 0.00 1.02 -1.26 -0.85 118.68 118.61 2kcq s LEU 120 Ca 0.04 0.16 0.04 0.00 0.02 0.00 0.00 54.13 54.38 2kcq s LEU 120 Cb 0.05 -1.96 0.00 0.00 0.02 0.00 0.00 46.19 44.30 2kcq s LEU 120 CO -0.10 0.24 -0.22 0.42 0.02 0.00 0.00 176.35 176.72 2kcq s THR 121 N -0.05 1.92 -0.10 5.49 -4.23 -0.09 -5.01 115.64 113.57 2kcq s THR 121 Ca 0.07 -0.93 -0.01 0.00 -1.18 0.00 0.00 61.69 59.64 2kcq s THR 121 Cb -0.12 -1.67 -0.03 0.00 1.34 0.00 0.00 72.50 72.02 2kcq s THR 121 CO 0.01 0.53 -0.06 0.00 -0.54 0.00 0.00 174.62 174.56 2kcq s ALA 122 N 0.46 3.00 0.01 3.99 0.00 -1.26 0.25 121.76 128.20 2kcq s ALA 122 Ca -0.17 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 50.98 2kcq s ALA 122 Cb -0.17 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 2kcq s ALA 122 CO 0.07 0.46 -0.14 -1.58 0.00 0.00 0.00 175.76 174.56 2kcq s TRP 123 N -0.44 1.27 -0.20 0.00 0.52 0.12 0.26 118.94 120.47 2kcq s TRP 123 Ca 0.07 -0.28 -0.07 0.00 0.02 0.00 0.00 56.10 55.83 2kcq s TRP 123 Cb -0.12 -0.79 -0.04 0.00 -1.15 0.00 0.00 33.47 31.37 2kcq s TRP 123 CO 0.02 0.00 0.06 0.00 0.02 0.00 0.00 176.95 177.06 2kcq s ALA 124 N -0.52 3.34 -0.25 0.98 0.00 0.13 -0.03 121.76 125.41 2kcq s ALA 124 Ca 0.04 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 2kcq s ALA 124 Cb -0.06 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.12 2kcq s ALA 124 CO 0.00 0.03 1.04 -1.17 0.00 0.00 0.00 175.76 175.66 2kcq s LEU 125 N 0.66 4.05 0.63 0.00 2.96 -1.26 -0.74 118.68 124.98 2kcq s LEU 125 Ca 0.03 1.28 -0.19 0.00 -0.22 0.00 0.00 54.13 55.03 2kcq s LEU 125 Cb -0.13 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 2kcq s LEU 125 CO 0.02 -0.72 1.29 0.00 -1.32 0.00 0.00 176.35 175.62 2kcq s ALA 126 N 3.31 2.46 0.59 5.97 0.00 -1.08 -4.37 121.76 128.64 2kcq s ALA 126 Ca 0.44 1.21 0.29 0.00 0.00 0.00 0.00 51.96 53.90 2kcq s ALA 126 Cb -0.14 -3.54 1.62 0.00 0.00 0.00 0.00 23.12 21.05 2kcq s ALA 126 CO 0.09 -1.51 2.05 -1.35 0.00 0.00 0.00 175.76 175.04 2kcq h PRO 127 N 0.73 0.00 0.00 0.00 0.11 -1.94 0.33 132.00 131.22 2kcq h PRO 127 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2kcq h PRO 127 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2kcq h PRO 127 CO 0.54 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.08 2kcq n ASP 128 N -3.78 0.18 -2.45 -2.05 9.92 -1.26 -4.89 116.55 112.22 2kcq n ASP 128 Ca 0.03 0.53 -0.06 0.00 -0.53 0.00 0.00 54.79 54.76 2kcq n ASP 128 Cb 0.40 -0.57 -0.00 0.00 -0.64 0.00 0.00 41.12 40.30 2kcq n ASP 128 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2kcq n ARG 129 N -1.68 -2.61 -0.01 -1.24 1.85 0.11 -4.77 116.66 108.31 2kcq n ARG 129 Ca 0.05 0.29 0.10 0.00 -1.00 0.00 0.00 57.85 57.28 2kcq n ARG 129 Cb 0.26 -4.83 -0.16 0.00 -1.05 0.00 0.00 32.46 26.68 2kcq n ARG 129 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2kcq n SER 130 N -1.61 0.27 -3.68 2.89 2.88 -1.26 -4.91 113.62 108.19 2kcq n SER 130 Ca -0.07 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.39 2kcq n SER 130 Cb 0.55 1.92 -0.02 0.00 -0.75 0.00 0.00 64.21 65.91 2kcq n SER 130 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2kcq s GLU 131 N -3.41 1.84 0.17 -1.46 -1.05 -1.26 -5.11 118.70 108.42 2kcq s GLU 131 Ca -0.08 -1.15 0.06 0.00 -0.15 0.00 0.00 54.97 53.65 2kcq s GLU 131 Cb 0.13 0.58 -0.04 0.00 -0.44 0.00 0.00 34.13 34.37 2kcq s GLU 131 CO 0.86 -0.83 0.11 -0.06 0.95 0.00 0.00 175.26 176.28 2kcq s PHE 132 N -3.59 3.08 -0.02 4.83 0.08 -1.26 -2.65 117.98 118.44 2kcq s PHE 132 Ca 0.15 -0.05 0.06 0.00 0.12 0.00 0.00 56.93 57.21 2kcq s PHE 132 Cb -0.05 -1.48 -0.01 0.00 -0.57 0.00 0.00 43.02 40.91 2kcq s PHE 132 CO 0.09 0.52 -0.20 -1.01 -0.10 0.00 0.00 175.22 174.52 2kcq s HIS 133 N -1.77 1.82 0.16 0.36 3.76 0.08 -4.93 115.29 114.78 2kcq s HIS 133 Ca 0.30 -0.38 -0.31 0.00 -0.15 0.00 0.00 55.06 54.52 2kcq s HIS 133 Cb -0.10 -1.18 -0.10 0.00 1.11 0.00 0.00 32.58 32.31 2kcq s HIS 133 CO 0.22 -0.06 1.51 0.50 -0.85 0.00 0.00 174.74 176.06 2kcq s ARG 134 N -0.39 4.25 0.37 1.40 6.06 -1.26 0.22 118.95 129.60 2kcq s ARG 134 Ca 0.06 2.28 0.07 0.00 -2.50 0.00 0.00 55.73 55.64 2kcq s ARG 134 Cb -0.09 -3.17 -0.01 0.00 0.06 0.00 0.00 34.95 31.75 2kcq s ARG 134 CO -0.00 -0.54 0.47 -2.00 -2.50 0.00 0.00 175.30 170.73 2kcq s GLU 135 N 0.92 2.91 -0.05 5.12 -6.30 0.14 -4.81 118.70 116.64 2kcq s GLU 135 Ca 0.67 -1.18 0.06 0.00 -2.50 0.00 0.00 54.97 52.02 2kcq s GLU 135 Cb -0.42 -2.71 -0.02 0.00 0.00 0.00 0.00 34.13 30.99 2kcq s GLU 135 CO 0.33 -0.07 -0.23 0.34 0.02 0.00 0.00 175.26 175.64 2kcq s ASP 136 N -4.20 3.26 -0.35 -1.70 2.15 -1.26 -4.57 116.67 109.99 2kcq s ASP 136 Ca 0.48 -0.44 -0.21 0.00 0.43 0.00 0.00 52.55 52.82 2kcq s ASP 136 Cb -0.09 -0.69 0.00 0.00 -0.30 0.00 0.00 42.92 41.85 2kcq s ASP 136 CO 0.31 0.29 0.65 -0.63 -0.17 0.00 0.00 175.17 175.62 2kcq s ILE 137 N -0.40 4.87 0.16 4.11 -1.09 -1.26 0.13 121.20 127.72 2kcq s ILE 137 Ca 0.04 0.63 0.08 0.00 -2.23 0.00 0.00 60.65 59.17 2kcq s ILE 137 Cb -0.12 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 2kcq s ILE 137 CO 0.01 -0.32 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.55 2kcq s VAL 138 N 2.75 1.69 0.19 2.92 1.01 0.48 -4.98 120.40 124.46 2kcq s VAL 138 Ca 0.25 -1.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.13 2kcq s VAL 138 Cb -0.14 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 34.36 2kcq s VAL 138 CO 0.15 -0.39 0.66 -0.13 0.00 0.00 0.00 175.10 175.39 2kcq s ARG 139 N -2.91 4.16 -0.57 2.72 0.52 -1.26 -2.44 118.95 119.17 2kcq s ARG 139 Ca 0.15 0.74 -0.27 0.00 -0.52 0.00 0.00 55.73 55.82 2kcq s ARG 139 Cb -0.05 -2.92 0.00 0.00 0.52 0.00 0.00 34.95 32.50 2kcq s ARG 139 CO 0.06 0.44 1.56 -2.14 0.02 0.00 0.00 175.30 175.24 2kcq s PRO 140 N -1.91 3.10 0.13 3.54 0.02 -1.26 -4.89 135.00 133.74 2kcq s PRO 140 Ca 0.40 0.52 -0.30 0.00 0.02 0.00 0.00 61.00 61.64 2kcq s PRO 140 Cb -0.16 -4.21 -0.07 0.00 0.02 0.00 0.00 34.50 30.08 2kcq s PRO 140 CO 0.20 -2.17 1.14 0.34 -0.33 0.00 0.00 177.00 176.17 2kcq s ASP 141 N 5.55 7.19 0.00 2.53 2.15 -1.26 -4.90 116.67 127.93 2kcq s ASP 141 Ca 0.57 2.06 0.00 0.00 0.43 0.00 0.00 52.55 55.62 2kcq s ASP 141 Cb -0.12 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 2kcq s ASP 141 CO 0.24 -0.32 0.62 -0.81 -0.17 0.00 0.00 175.17 174.72 2kcq n PRO 142 N 2.94 0.63 0.00 4.34 -0.04 -1.26 -1.30 135.00 140.31 2kcq n PRO 142 Ca 0.05 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.53 2kcq n PRO 142 Cb 0.46 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.66 3.60 -3.26 0.54 1.02 -1.26 -4.97 120.64 116.96 2kcq n GLU 143 Ca 0.00 -0.26 -0.38 0.00 -0.02 0.00 0.00 57.16 56.49 2kcq n GLU 143 Cb 0.31 -0.81 -0.06 0.00 -0.02 0.00 0.00 31.44 30.86 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 -0.98 3.46 -0.08 0.62 0.00 -0.42 -5.00 121.76 119.35 2kcq s ALA 144 Ca 0.03 -0.11 -0.40 0.00 0.00 0.00 0.00 51.96 51.47 2kcq s ALA 144 Cb 0.03 -2.70 -0.19 0.00 0.00 0.00 0.00 23.12 20.26 2kcq s ALA 144 CO 0.11 0.01 1.30 -0.35 0.00 0.00 0.00 175.76 176.83 2kcq n PRO 145 N 3.56 0.45 -2.75 0.00 -0.04 -1.26 -4.95 135.00 130.01 2kcq n PRO 145 Ca -0.06 0.16 -0.20 0.00 -0.04 0.00 0.00 63.50 63.36 2kcq n PRO 145 Cb 0.52 -1.72 0.09 0.00 -0.04 0.00 0.00 33.50 32.34 2kcq n PRO 145 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2kcq n LEU 146 N 2.57 0.00 -4.77 1.53 -0.00 -1.26 -5.05 117.00 110.03 2kcq n LEU 146 Ca 0.22 -2.27 -0.41 0.00 -0.00 0.00 0.00 56.01 53.55 2kcq n LEU 146 Cb 0.10 -0.51 -0.02 0.00 -0.00 0.00 0.00 43.42 42.99 2kcq n LEU 146 CO 0.68 -0.82 0.99 -0.70 -0.00 0.00 0.00 177.39 177.53 2kcq s GLU 147 N -4.76 4.35 -1.30 1.47 2.12 -1.26 -4.89 118.70 114.42 2kcq s GLU 147 Ca 0.61 2.21 -0.17 0.00 0.36 0.00 0.00 54.97 57.99 2kcq s GLU 147 Cb -0.04 -3.08 0.01 0.00 0.26 0.00 0.00 34.13 31.27 2kcq s GLU 147 CO 0.40 -0.21 2.07 1.58 -0.54 0.00 0.00 175.26 178.56 2kcq n HIS 148 N 1.04 3.46 -4.00 5.30 -0.00 -1.26 -4.86 115.22 114.91 2kcq n HIS 148 Ca 0.01 -2.69 -0.19 0.00 -0.00 0.00 0.00 57.72 54.85 2kcq n HIS 148 Cb 0.42 -2.44 -0.16 0.00 -0.00 0.00 0.00 29.99 27.80 2kcq n HIS 148 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kcq s HIS 149 N 4.09 0.55 -0.30 1.57 5.04 -1.26 -5.11 115.29 119.88 2kcq s HIS 149 Ca 0.51 -0.11 -0.02 0.00 -1.54 0.00 0.00 55.06 53.90 2kcq s HIS 149 Cb 0.11 -0.58 0.10 0.00 0.04 0.00 0.00 32.58 32.25 2kcq s HIS 149 CO -0.01 -0.19 0.11 -1.01 -2.34 0.00 0.00 174.74 171.30 2kcq s HIS 150 N 1.15 1.08 -0.22 3.88 3.76 -1.26 -5.08 115.29 118.59 2kcq s HIS 150 Ca -0.08 -1.32 -0.04 0.00 -0.15 0.00 0.00 55.06 53.46 2kcq s HIS 150 Cb -0.14 -1.33 0.08 0.00 1.11 0.00 0.00 32.58 32.30 2kcq s HIS 150 CO -0.01 -0.84 0.12 -1.58 -0.85 0.00 0.00 174.74 171.58 2kcq s HIS 151 N 1.84 0.17 -0.24 1.40 5.04 -1.26 -5.01 115.29 117.23 2kcq s HIS 151 Ca 0.09 -0.46 0.02 0.00 -1.54 0.00 0.00 55.06 53.17 2kcq s HIS 151 Cb -0.17 -0.73 0.29 0.00 0.04 0.00 0.00 32.58 32.01 2kcq s HIS 151 CO -0.29 -0.65 1.34 -2.39 -2.34 0.00 0.00 174.74 170.41 2kcq n HIS 152 N 5.27 1.24 -0.55 3.88 1.44 -1.26 -5.34 115.22 119.90 2kcq n HIS 152 Ca -0.06 -0.98 0.00 0.00 -2.01 0.00 0.00 57.72 54.67 2kcq n HIS 152 Cb 0.46 -0.51 0.00 0.00 0.12 0.00 0.00 29.99 30.06 2kcq n HIS 152 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11