#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 2.86 0.32 2.12 3.01 0.53 -3.91 119.74 124.67 2kcq s LYS 2 Ca 0.00 -0.61 -0.17 0.00 -1.01 0.00 0.00 55.97 54.18 2kcq s LYS 2 Cb 0.00 -2.56 0.03 0.00 -1.01 0.00 0.00 37.83 34.29 2kcq s LYS 2 CO 0.00 0.54 0.71 -0.08 0.51 0.00 0.00 175.35 177.03 2kcq s THR 3 N -0.50 0.00 0.12 2.17 -1.32 -1.08 -1.53 115.64 113.50 2kcq s THR 3 Ca 0.07 -1.08 0.05 0.00 -1.21 0.00 0.00 61.69 59.52 2kcq s THR 3 Cb -0.12 -2.37 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 2kcq s THR 3 CO 0.02 0.00 0.05 0.42 -2.21 0.00 0.00 174.62 172.90 2kcq s THR 4 N -3.31 4.22 0.44 5.08 -4.23 -1.26 -4.35 115.64 112.24 2kcq s THR 4 Ca 0.15 -1.02 0.13 0.00 -1.18 0.00 0.00 61.69 59.77 2kcq s THR 4 Cb -0.05 -3.07 0.30 0.00 1.34 0.00 0.00 72.50 71.03 2kcq s THR 4 CO 0.10 0.03 2.03 1.55 -0.54 0.00 0.00 174.62 177.79 2kcq h PRO 5 N 3.05 0.37 -1.01 3.99 0.13 -1.98 -1.79 132.00 134.76 2kcq h PRO 5 Ca -0.47 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2kcq h PRO 5 Cb 1.18 -0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.17 2kcq h PRO 5 CO 0.62 0.25 0.67 0.38 -0.23 0.00 0.00 178.00 179.68 2kcq h ASP 6 N 0.39 1.14 -0.40 1.44 3.04 -1.99 -0.09 116.42 119.94 2kcq h ASP 6 Ca 0.20 -0.02 -0.12 0.00 -3.24 0.00 0.00 57.03 53.85 2kcq h ASP 6 Cb 0.31 -0.28 -0.01 0.00 -1.04 0.00 0.00 39.33 38.31 2kcq h ASP 6 CO -0.05 0.81 -0.21 0.40 -2.04 0.00 0.00 179.24 178.16 2kcq h ILE 7 N 1.34 1.28 -0.45 4.15 1.08 -1.71 -2.54 117.51 120.67 2kcq h ILE 7 Ca 0.38 -1.35 0.05 0.00 -0.39 0.00 0.00 64.86 63.55 2kcq h ILE 7 Cb -0.12 1.29 -0.05 0.00 -3.07 0.00 0.00 36.82 34.88 2kcq h ILE 7 CO -0.09 0.45 0.18 -0.07 -0.69 0.00 0.00 178.15 177.93 2kcq h LEU 8 N 0.66 0.22 -0.82 1.44 3.38 -1.02 -1.08 115.31 118.09 2kcq h LEU 8 Ca 0.09 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2kcq h LEU 8 Cb 0.77 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2kcq h LEU 8 CO 0.06 0.16 -0.11 -0.78 0.09 0.00 0.00 178.44 177.87 2kcq h ASP 9 N 0.37 0.76 -0.55 -0.43 3.58 -1.02 -1.76 116.42 117.37 2kcq h ASP 9 Ca 0.20 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2kcq h ASP 9 Cb 0.17 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 2kcq h ASP 9 CO -0.19 0.89 0.31 1.56 -2.88 0.00 0.00 179.24 178.93 2kcq h GLN 10 N 0.70 0.79 -0.01 0.28 4.20 -0.95 -0.92 115.11 119.20 2kcq h GLN 10 Ca 0.12 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2kcq h GLN 10 Cb 0.58 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 2kcq h GLN 10 CO 0.04 0.59 0.00 0.82 -0.67 0.00 0.00 178.83 179.61 2kcq h ILE 11 N 0.80 1.24 -0.60 2.54 2.04 -0.39 0.02 117.51 123.15 2kcq h ILE 11 Ca 0.20 -0.70 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 2kcq h ILE 11 Cb 0.04 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 2kcq h ILE 11 CO -0.03 0.18 0.11 0.08 0.00 0.00 0.00 178.15 178.49 2kcq h ARG 12 N -0.28 0.96 -0.18 2.37 0.11 -1.18 0.57 114.38 116.75 2kcq h ARG 12 Ca 0.00 -0.23 -0.06 0.00 0.10 0.00 0.00 59.98 59.80 2kcq h ARG 12 Cb 0.30 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.25 2kcq h ARG 12 CO 0.00 0.88 -0.12 0.28 0.10 0.00 0.00 179.97 181.10 2kcq h VAL 13 N 0.91 1.32 -0.19 0.08 2.07 -1.15 -2.52 116.25 116.77 2kcq h VAL 13 Ca 0.19 -1.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 2kcq h VAL 13 Cb 0.37 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2kcq h VAL 13 CO 0.01 0.37 -0.16 -0.74 0.02 0.00 0.00 177.57 177.06 2kcq h HIS 14 N 0.06 0.33 -0.26 1.57 -0.00 -0.76 0.30 115.15 116.39 2kcq h HIS 14 Ca 0.03 -0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 2kcq h HIS 14 Cb 0.63 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.94 2kcq h HIS 14 CO 0.07 0.47 0.09 0.78 -0.00 0.00 0.00 177.93 179.34 2kcq h GLY 15 N 0.86 0.43 2.00 5.26 0.00 -0.81 -1.27 103.07 109.54 2kcq h GLY 15 Ca 0.05 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 2kcq h GLY 15 CO 0.03 0.23 -0.42 0.00 0.00 0.00 0.00 176.54 176.39 2kcq h ALA 16 N 0.92 1.07 -0.12 3.60 0.00 -1.06 -2.65 119.26 121.01 2kcq h ALA 16 Ca 0.08 -0.38 -0.22 0.00 0.00 0.00 0.00 54.91 54.39 2kcq h ALA 16 Cb 0.22 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2kcq h ALA 16 CO -0.00 0.52 -0.81 0.22 0.00 0.00 0.00 179.25 179.18 2kcq h ASP 17 N 0.00 0.88 0.42 0.00 3.58 -0.73 -3.29 116.42 117.27 2kcq h ASP 17 Ca -0.00 -0.59 -0.25 0.00 0.42 0.00 0.00 57.03 56.60 2kcq h ASP 17 Cb 0.87 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.67 2kcq h ASP 17 CO 0.05 1.39 -1.07 0.00 -2.88 0.00 0.00 179.24 176.73 2kcq h ALA 18 N 0.59 0.25 -2.29 -0.78 0.00 -1.19 -3.47 119.26 112.37 2kcq h ALA 18 Ca -0.06 -0.77 -0.50 0.00 0.00 0.00 0.00 54.91 53.58 2kcq h ALA 18 Cb 1.44 0.00 0.17 0.00 0.00 0.00 0.00 17.79 19.39 2kcq h ALA 18 CO 0.16 0.85 0.24 0.71 0.00 0.00 0.00 179.25 181.21 2kcq s TYR 19 N -3.04 2.06 -1.10 0.00 1.51 -1.00 -2.76 117.35 113.02 2kcq s TYR 19 Ca -0.05 1.53 0.13 0.00 -1.01 0.00 0.00 57.07 57.66 2kcq s TYR 19 Cb 0.08 -3.18 0.58 0.00 -0.11 0.00 0.00 41.96 39.33 2kcq s TYR 19 CO 0.88 -2.50 1.40 -0.35 -1.11 0.00 0.00 175.55 173.87 2kcq n PRO 20 N -4.00 0.05 -1.84 -1.71 -0.04 -1.26 -4.90 135.00 121.29 2kcq n PRO 20 Ca 0.09 0.25 -0.32 0.00 -0.04 0.00 0.00 63.50 63.48 2kcq n PRO 20 Cb 0.53 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 -2.90 3.22 -0.07 0.54 2.02 -1.11 -4.98 118.70 115.42 2kcq s GLU 21 Ca 0.08 1.03 -0.17 0.00 0.02 0.00 0.00 54.97 55.92 2kcq s GLU 21 Cb 0.09 -2.03 -0.05 0.00 0.10 0.00 0.00 34.13 32.24 2kcq s GLU 21 CO 0.23 -0.87 0.45 -1.83 0.02 0.00 0.00 175.26 173.26 2kcq s GLU 22 N -4.62 4.21 -0.10 1.61 -1.05 -1.26 -4.71 118.70 112.78 2kcq s GLU 22 Ca 0.60 0.44 -0.06 0.00 -0.15 0.00 0.00 54.97 55.79 2kcq s GLU 22 Cb -0.14 -3.36 -0.02 0.00 -0.44 0.00 0.00 34.13 30.17 2kcq s GLU 22 CO 0.46 0.35 -0.12 0.41 0.95 0.00 0.00 175.26 177.31 2kcq n GLY 23 N 2.75 -0.81 1.28 -3.83 0.00 -1.26 -5.00 105.19 98.31 2kcq n GLY 23 Ca -0.10 -0.12 0.17 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.95 0.50 3.76 0.00 0.00 -1.00 -1.02 105.19 103.48 2kcq n GLY 25 Ca -0.01 -1.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.64 2.93 -0.20 1.61 0.08 -1.10 -1.07 117.98 117.59 2kcq s PHE 26 Ca 0.00 -0.17 -0.08 0.00 0.12 0.00 0.00 56.93 56.80 2kcq s PHE 26 Cb 0.00 -1.36 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 2kcq s PHE 26 CO 0.00 0.53 0.07 -0.51 -0.10 0.00 0.00 175.22 175.21 2kcq s LEU 27 N -3.79 3.75 0.01 -0.37 1.43 0.13 -1.81 118.68 118.02 2kcq s LEU 27 Ca 0.33 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 2kcq s LEU 27 Cb -0.07 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 2kcq s LEU 27 CO 0.23 0.12 0.00 -0.76 0.23 0.00 0.00 176.35 176.17 2kcq s LEU 28 N 0.69 3.50 0.00 1.79 1.43 0.30 -1.04 118.68 125.35 2kcq s LEU 28 Ca 0.04 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2kcq s LEU 28 Cb -0.13 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.05 2kcq s LEU 28 CO 0.02 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.48 2kcq n GLY 29 N 1.31 -0.70 3.38 -3.19 0.00 0.01 -0.68 105.19 105.32 2kcq n GLY 29 Ca -0.14 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.66 2.17 -0.07 2.61 -4.23 -0.31 -0.59 115.64 111.56 2kcq s THR 30 Ca 0.00 -1.86 -0.16 0.00 -1.18 0.00 0.00 61.69 58.49 2kcq s THR 30 Cb 0.00 -1.97 -0.05 0.00 1.34 0.00 0.00 72.50 71.82 2kcq s THR 30 CO 0.00 -0.06 0.43 -0.69 -0.54 0.00 0.00 174.62 173.76 2kcq s VAL 31 N -1.44 5.12 -0.04 2.29 1.01 -1.26 -0.01 120.40 126.07 2kcq s VAL 31 Ca 0.16 0.87 0.05 0.00 0.00 0.00 0.00 61.98 63.06 2kcq s VAL 31 Cb -0.09 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2kcq s VAL 31 CO 0.07 0.44 -0.18 0.28 0.00 0.00 0.00 175.10 175.72 2kcq s THR 32 N -0.12 2.77 0.00 3.92 -1.32 -0.43 -4.57 115.64 115.89 2kcq s THR 32 Ca 0.24 -0.84 0.00 0.00 -1.21 0.00 0.00 61.69 59.88 2kcq s THR 32 Cb -0.16 -2.06 0.00 0.00 -1.51 0.00 0.00 72.50 68.78 2kcq s THR 32 CO 0.11 0.58 0.00 -0.67 -2.21 0.00 0.00 174.62 172.44 2kcq n ASP 33 N 2.33 0.00 -0.10 8.08 2.03 -1.26 -1.21 116.55 126.42 2kcq n ASP 33 Ca -0.17 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.13 2kcq n ASP 33 Cb 0.52 -0.46 -0.01 0.00 -0.72 0.00 0.00 41.12 40.46 2kcq n ASP 33 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kcq n ASP 34 N 0.00 -3.65 0.00 1.67 2.03 -1.26 -4.84 116.55 110.50 2kcq n ASP 34 Ca 0.00 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2kcq n ASP 34 Cb 0.00 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 2kcq n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcq n GLY 35 N -2.18 0.00 3.98 0.27 0.00 -0.81 -5.10 105.19 101.35 2kcq n GLY 35 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2kcq n GLY 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kcq s ASP 36 N -4.32 5.34 0.01 1.61 -1.08 -0.35 -4.97 116.67 112.90 2kcq s ASP 36 Ca 0.00 -0.63 0.05 0.00 -0.52 0.00 0.00 52.55 51.44 2kcq s ASP 36 Cb 0.00 -0.38 -0.02 0.00 -1.46 0.00 0.00 42.92 41.06 2kcq s ASP 36 CO 0.00 -0.87 -0.15 0.54 0.52 0.00 0.00 175.17 175.21 2kcq s ASN 37 N -4.36 1.74 -0.33 -0.34 2.20 -1.26 -1.32 114.94 111.28 2kcq s ASN 37 Ca 0.53 -0.34 -0.00 0.00 -0.94 0.00 0.00 52.86 52.11 2kcq s ASN 37 Cb -0.07 -0.16 0.07 0.00 -2.00 0.00 0.00 41.25 39.09 2kcq s ASN 37 CO 0.32 0.13 0.04 -0.60 -2.94 0.00 0.00 177.10 174.06 2kcq s ARG 38 N -0.66 2.14 -0.19 3.55 3.52 0.99 -0.34 118.95 127.95 2kcq s ARG 38 Ca 0.04 -1.51 -0.25 0.00 -0.13 0.00 0.00 55.73 53.88 2kcq s ARG 38 Cb -0.07 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 30.07 2kcq s ARG 38 CO 0.00 -0.78 0.83 0.08 -0.81 0.00 0.00 175.30 174.63 2kcq s VAL 39 N 1.15 4.87 0.00 7.11 1.01 -0.58 -1.16 120.40 132.79 2kcq s VAL 39 Ca 0.00 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.60 2kcq s VAL 39 Cb -0.20 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.04 2kcq s VAL 39 CO -0.03 -0.00 0.28 0.00 0.00 0.00 0.00 175.10 175.34 2kcq n ALA 40 N 5.45 0.85 -3.36 5.51 0.00 -0.06 -4.23 120.51 124.68 2kcq n ALA 40 Ca 0.05 -0.28 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 2kcq n ALA 40 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.08 -1.21 0.21 0.00 0.00 0.14 -4.96 121.76 115.86 2kcq s ALA 41 Ca 0.00 0.74 0.07 0.00 0.00 0.00 0.00 51.96 52.78 2kcq s ALA 41 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2kcq s ALA 41 CO 0.00 -0.31 0.07 -0.51 0.00 0.00 0.00 175.76 175.01 2kcq s LEU 42 N -1.29 3.49 -0.02 0.00 1.43 -1.26 -0.54 118.68 120.49 2kcq s LEU 42 Ca -0.12 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2kcq s LEU 42 Cb -0.03 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.12 2kcq s LEU 42 CO 0.06 0.04 0.06 -2.28 0.23 0.00 0.00 176.35 174.46 2kcq s HIS 43 N -1.95 -0.04 -0.08 0.29 5.65 -0.75 -4.85 115.29 113.56 2kcq s HIS 43 Ca 0.30 0.18 -0.01 0.00 0.25 0.00 0.00 55.06 55.77 2kcq s HIS 43 Cb -0.08 -0.07 -0.03 0.00 -1.18 0.00 0.00 32.58 31.21 2kcq s HIS 43 CO 0.21 -0.06 -0.00 -0.98 -0.65 0.00 0.00 174.74 173.26 2kcq s ARG 44 N 0.49 2.95 -0.75 2.88 1.70 -1.26 -2.70 118.95 122.27 2kcq s ARG 44 Ca -0.04 -0.43 -0.29 0.00 -0.47 0.00 0.00 55.73 54.50 2kcq s ARG 44 Cb -0.06 -2.77 -0.15 0.00 -0.57 0.00 0.00 34.95 31.41 2kcq s ARG 44 CO -0.02 0.70 2.56 0.00 -1.08 0.00 0.00 175.30 177.46 2kcq n ALA 45 N 2.09 0.53 -3.64 7.88 0.00 -0.19 -4.84 120.51 122.35 2kcq n ALA 45 Ca -0.18 -0.61 -0.09 0.00 0.00 0.00 0.00 53.44 52.56 2kcq n ALA 45 Cb 0.53 -2.74 -0.07 0.00 0.00 0.00 0.00 19.45 17.17 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 10.63 0.00 -0.21 0.00 2.01 -1.26 -5.02 115.64 121.80 2kcq s THR 46 Ca 1.17 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 63.11 2kcq s THR 46 Cb -0.72 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 2kcq s THR 46 CO 0.38 0.00 0.04 0.54 -0.69 0.00 0.00 174.62 174.89 2kcq s ASN 47 N 0.76 5.22 -0.94 3.53 4.22 -1.26 -4.65 114.94 121.81 2kcq s ASN 47 Ca -0.03 -0.10 -0.00 0.00 -2.14 0.00 0.00 52.86 50.59 2kcq s ASN 47 Cb -0.05 -1.91 0.32 0.00 1.28 0.00 0.00 41.25 40.89 2kcq s ASN 47 CO -0.09 0.08 1.52 -2.11 -2.04 0.00 0.00 177.10 174.46 2kcq n ARG 48 N 4.18 4.65 -2.66 3.55 1.85 -1.26 -4.98 116.66 121.98 2kcq n ARG 48 Ca -0.17 -4.68 -0.42 0.00 -1.00 0.00 0.00 57.85 51.59 2kcq n ARG 48 Cb 0.52 -2.43 -0.03 0.00 -1.05 0.00 0.00 32.46 29.47 2kcq n ARG 48 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2kcq s ARG 49 N -3.68 3.25 0.00 2.89 3.52 -1.26 -4.66 118.95 119.01 2kcq s ARG 49 Ca 0.39 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 2kcq s ARG 49 Cb 0.17 -4.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.14 2kcq s ARG 49 CO -0.06 -2.04 0.00 0.45 -0.81 0.00 0.00 175.30 172.84 2kcq n SER 50 N 8.66 3.20 -4.85 -2.12 2.88 -1.26 -5.05 113.62 115.07 2kcq n SER 50 Ca 0.07 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.23 2kcq n SER 50 Cb 0.48 0.14 -0.06 0.00 -0.75 0.00 0.00 64.21 64.03 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 -1.73 3.72 -1.10 -1.46 1.03 -1.26 -5.02 118.70 112.88 2kcq s GLU 51 Ca 0.00 0.15 -0.14 0.00 0.03 0.00 0.00 54.97 55.01 2kcq s GLU 51 Cb 0.00 -3.22 0.19 0.00 -0.80 0.00 0.00 34.13 30.30 2kcq s GLU 51 CO 0.00 0.71 1.26 -1.14 -1.33 0.00 0.00 175.26 174.75 2kcq s GLN 52 N -0.97 3.97 -0.16 -4.83 0.74 -1.26 -4.97 119.66 112.19 2kcq s GLN 52 Ca 0.19 -2.52 0.01 0.00 0.05 0.00 0.00 55.36 53.10 2kcq s GLN 52 Cb -0.14 -4.89 0.02 0.00 1.10 0.00 0.00 33.01 29.10 2kcq s GLN 52 CO 0.09 -1.63 -0.18 0.50 -0.55 0.00 0.00 175.29 173.52 2kcq s ARG 53 N 1.18 2.65 0.02 1.67 6.06 -1.26 -5.12 118.95 124.15 2kcq s ARG 53 Ca 0.36 -0.70 -0.05 0.00 -2.50 0.00 0.00 55.73 52.84 2kcq s ARG 53 Cb -0.05 -2.31 -0.05 0.00 0.06 0.00 0.00 34.95 32.61 2kcq s ARG 53 CO -0.04 -0.18 0.25 0.95 -2.50 0.00 0.00 175.30 173.78 2kcq s THR 54 N 1.27 5.33 0.00 4.11 -4.23 -1.26 -5.05 115.64 115.82 2kcq s THR 54 Ca 0.02 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 2kcq s THR 54 Cb -0.13 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.14 2kcq s THR 54 CO -0.10 0.30 0.00 0.54 -0.54 0.00 0.00 174.62 174.83 2kcq n ARG 55 N 0.89 0.00 0.00 3.99 1.74 -1.26 -5.10 116.66 116.92 2kcq n ARG 55 Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 2kcq n ARG 55 Cb 0.52 -0.03 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 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 -1.42 0.00 -0.03 5.56 1.74 -1.26 -4.96 116.66 116.29 2kcq n ARG 56 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 2kcq n ARG 56 Cb 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.50 2kcq n ARG 56 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2kcq n TYR 57 N -0.60 0.08 -2.11 -1.55 9.36 -1.26 -4.91 117.16 116.17 2kcq n TYR 57 Ca 0.00 -0.09 -0.29 0.00 3.32 0.00 0.00 57.90 60.84 2kcq n TYR 57 Cb 0.00 -0.01 -0.05 0.00 -0.63 0.00 0.00 39.34 38.66 2kcq n TYR 57 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 2kcq s GLU 58 N -0.88 2.68 -0.15 2.98 2.12 -1.26 -4.60 118.70 119.58 2kcq s GLU 58 Ca 0.14 -0.32 0.18 0.00 0.36 0.00 0.00 54.97 55.32 2kcq s GLU 58 Cb 0.09 -5.05 0.44 0.00 0.26 0.00 0.00 34.13 29.88 2kcq s GLU 58 CO 0.13 -3.20 1.18 -0.11 -0.54 0.00 0.00 175.26 172.72 2kcq n LEU 59 N 13.31 2.21 -4.05 2.70 -0.00 -1.26 -4.62 117.00 125.28 2kcq n LEU 59 Ca 0.38 -3.19 -0.07 0.00 -0.00 0.00 0.00 56.01 53.13 2kcq n LEU 59 Cb 0.48 -0.17 -0.10 0.00 -0.00 0.00 0.00 43.42 43.63 2kcq n LEU 59 CO 0.61 1.11 -0.32 0.28 -0.00 0.00 0.00 177.39 179.08 2kcq s THR 60 N -2.29 0.21 -0.36 1.96 -1.32 -1.26 -5.01 115.64 107.57 2kcq s THR 60 Ca 0.37 -1.69 -0.10 0.00 -1.21 0.00 0.00 61.69 59.06 2kcq s THR 60 Cb 0.38 -1.46 0.01 0.00 -1.51 0.00 0.00 72.50 69.92 2kcq s THR 60 CO -0.09 -0.93 0.37 0.00 -2.21 0.00 0.00 174.62 171.76 2kcq n ALA 61 N 0.12 -3.16 -0.28 11.08 0.00 -1.26 -4.80 120.51 122.22 2kcq n ALA 61 Ca -0.14 0.88 -0.04 0.00 0.00 0.00 0.00 53.44 54.14 2kcq n ALA 61 Cb 0.61 -2.64 0.07 0.00 0.00 0.00 0.00 19.45 17.49 2kcq n ALA 61 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2kcq h ASP 62 N 2.15 0.85 -0.02 0.00 5.19 -1.99 -2.62 116.42 119.98 2kcq h ASP 62 Ca 0.00 -0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.31 2kcq h ASP 62 Cb 0.61 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 2kcq h ASP 62 CO 0.15 0.61 -0.24 -0.78 -3.12 0.00 0.00 179.24 175.86 2kcq h ASP 63 N 1.01 0.42 -0.40 6.45 3.58 -1.92 -2.31 116.42 123.25 2kcq h ASP 63 Ca 0.29 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2kcq h ASP 63 Cb -0.08 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 2kcq h ASP 63 CO -0.08 0.67 0.27 0.22 -2.88 0.00 0.00 179.24 177.44 2kcq h TYR 64 N 0.38 0.51 -0.88 0.28 3.20 -1.81 0.20 116.97 118.86 2kcq h TYR 64 Ca 0.06 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2kcq h TYR 64 Cb 0.63 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 2kcq h TYR 64 CO 0.02 0.33 0.51 0.00 -1.64 0.00 0.00 178.16 177.37 2kcq h ARG 65 N 0.55 1.20 -0.35 1.82 3.08 -1.31 0.81 114.38 120.18 2kcq h ARG 65 Ca 0.15 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 2kcq h ARG 65 Cb -0.06 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 2kcq h ARG 65 CO -0.03 0.85 -0.31 0.00 -1.07 0.00 0.00 179.97 179.41 2kcq h ALA 66 N 1.35 0.81 -0.41 0.04 0.00 -0.82 0.20 119.26 120.43 2kcq h ALA 66 Ca 0.31 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2kcq h ALA 66 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2kcq h ALA 66 CO -0.06 0.65 -0.07 0.00 0.00 0.00 0.00 179.25 179.77 2kcq h ALA 67 N 1.02 0.56 -0.41 0.00 0.00 -0.16 -2.16 119.26 118.11 2kcq h ALA 67 Ca 0.07 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 2kcq h ALA 67 Cb 0.83 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kcq h ALA 67 CO 0.07 0.40 -0.34 0.22 0.00 0.00 0.00 179.25 179.61 2kcq h ASP 68 N 0.58 1.00 0.37 0.00 3.58 -0.67 -0.45 116.42 120.84 2kcq h ASP 68 Ca 0.11 -0.45 -0.02 0.00 0.42 0.00 0.00 57.03 57.09 2kcq h ASP 68 Cb 0.58 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2kcq h ASP 68 CO 0.03 1.24 -0.18 0.00 -2.88 0.00 0.00 179.24 177.46 2kcq h ALA 69 N 0.79 -0.49 -0.17 -0.78 0.00 -0.57 0.51 119.26 118.55 2kcq h ALA 69 Ca 0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2kcq h ALA 69 Cb 0.93 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2kcq h ALA 69 CO 0.09 -0.77 -0.16 0.00 0.00 0.00 0.00 179.25 178.41 2kcq h ALA 70 N 0.12 1.41 0.20 0.00 0.00 -1.40 -1.00 119.26 118.59 2kcq h ALA 70 Ca -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2kcq h ALA 70 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kcq h ALA 70 CO 0.08 0.41 -0.10 0.00 0.00 0.00 0.00 179.25 179.65 2kcq h ALA 71 N 1.57 -0.27 -0.13 0.00 0.00 -0.71 -1.27 119.26 118.46 2kcq h ALA 71 Ca 0.05 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2kcq h ALA 71 Cb 0.45 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2kcq h ALA 71 CO 0.03 -0.58 -0.28 -0.56 0.00 0.00 0.00 179.25 177.86 2kcq h GLN 72 N -0.41 0.25 -1.01 0.00 3.07 -0.67 0.60 115.11 116.95 2kcq h GLN 72 Ca -0.03 -0.09 0.01 0.00 0.09 0.00 0.00 58.65 58.63 2kcq h GLN 72 Cb 0.31 -0.02 -0.05 0.00 0.08 0.00 0.00 27.48 27.81 2kcq h GLN 72 CO 0.04 0.52 0.67 0.93 0.09 0.00 0.00 178.83 181.08 2kcq h GLU 73 N 0.22 1.32 -0.01 0.06 5.08 -1.06 -1.91 114.58 118.29 2kcq h GLU 73 Ca 0.03 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2kcq h GLU 73 Cb 0.62 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2kcq h GLU 73 CO 0.04 0.88 -0.01 1.04 -1.00 0.00 0.00 179.01 179.96 2kcq n GLN 74 N -4.38 1.47 -2.13 2.33 6.02 -0.49 -4.91 117.38 115.29 2kcq n GLN 74 Ca 0.12 -0.72 -0.07 0.00 -0.01 0.00 0.00 57.00 56.32 2kcq n GLN 74 Cb 0.01 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.78 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 1.14 0.08 2.63 1.08 0.00 -0.15 -5.03 105.19 104.94 2kcq n GLY 75 Ca 0.20 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.07 0.00 -4.21 0.99 4.77 0.19 -4.96 117.00 112.72 2kcq n LEU 76 Ca -0.09 -2.39 -0.16 0.00 -0.03 0.00 0.00 56.01 53.34 2kcq n LEU 76 Cb 0.56 0.58 -0.08 0.00 -2.33 0.00 0.00 43.42 42.15 2kcq n LEU 76 CO 0.10 -0.36 -0.08 1.51 -1.33 0.00 0.00 177.39 177.23 2kcq s ASP 77 N -2.99 0.99 -0.43 -1.43 -4.77 0.25 -3.24 116.67 105.04 2kcq s ASP 77 Ca 0.09 -1.55 -0.28 0.00 -3.30 0.00 0.00 52.55 47.51 2kcq s ASP 77 Cb 0.00 0.53 0.03 0.00 -1.09 0.00 0.00 42.92 42.39 2kcq s ASP 77 CO 0.07 -1.05 1.07 -0.69 0.70 0.00 0.00 175.17 175.27 2kcq s VAL 78 N -3.61 4.35 -0.49 2.11 1.01 -1.26 -0.81 120.40 121.70 2kcq s VAL 78 Ca 0.37 1.25 0.15 0.00 0.00 0.00 0.00 61.98 63.75 2kcq s VAL 78 Cb 0.03 -4.51 -0.18 0.00 0.00 0.00 0.00 36.38 31.72 2kcq s VAL 78 CO 0.21 -0.82 0.54 1.33 0.00 0.00 0.00 175.10 176.35 2kcq n VAL 79 N 6.48 0.00 -3.79 2.92 0.24 -0.21 -4.96 118.33 119.02 2kcq n VAL 79 Ca 0.10 -0.21 -0.05 0.00 -2.04 0.00 0.00 64.34 62.15 2kcq n VAL 79 Cb 0.48 0.75 0.02 0.00 -1.47 0.00 0.00 33.84 33.62 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 1.43 0.85 3.06 7.63 0.00 -0.98 -2.81 105.19 114.38 2kcq n GLY 80 Ca 0.01 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.15 0.22 -0.01 1.61 1.01 0.82 0.17 120.40 122.08 2kcq s VAL 81 Ca 0.18 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.60 2kcq s VAL 81 Cb -0.03 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.19 2kcq s VAL 81 CO 0.07 -0.84 0.00 -0.72 0.00 0.00 0.00 175.10 173.61 2kcq s TYR 82 N -3.17 0.08 -0.08 5.22 1.13 -0.23 -0.31 117.35 119.99 2kcq s TYR 82 Ca 0.01 0.03 -0.04 0.00 -1.41 0.00 0.00 57.07 55.65 2kcq s TYR 82 Cb 0.03 -0.14 0.04 0.00 -1.10 0.00 0.00 41.96 40.79 2kcq s TYR 82 CO -0.07 -0.04 0.19 -1.58 -2.51 0.00 0.00 175.55 171.54 2kcq s HIS 83 N 0.39 -0.23 0.15 -3.49 2.46 -0.71 -2.37 115.29 111.50 2kcq s HIS 83 Ca -0.03 0.59 0.05 0.00 0.47 0.00 0.00 55.06 56.13 2kcq s HIS 83 Cb -0.05 -0.01 -0.04 0.00 -0.13 0.00 0.00 32.58 32.35 2kcq s HIS 83 CO -0.01 -0.18 0.13 -1.54 -2.47 0.00 0.00 174.74 170.68 2kcq s SER 84 N 1.01 5.54 0.01 9.88 1.04 -1.26 -3.51 113.70 126.42 2kcq s SER 84 Ca -0.08 -0.11 0.05 0.00 0.48 0.00 0.00 55.95 56.30 2kcq s SER 84 Cb -0.09 -1.46 -0.03 0.00 0.10 0.00 0.00 66.02 64.54 2kcq s SER 84 CO -0.06 0.08 -0.15 -1.00 0.98 0.00 0.00 173.24 173.09 2kcq s HIS 85 N -1.71 2.65 -1.10 5.02 3.76 -0.88 -4.96 115.29 118.07 2kcq s HIS 85 Ca 0.31 -0.20 -0.22 0.00 -0.15 0.00 0.00 55.06 54.80 2kcq s HIS 85 Cb -0.10 -1.54 -0.03 0.00 1.11 0.00 0.00 32.58 32.02 2kcq s HIS 85 CO 0.23 0.24 1.84 -2.14 -0.85 0.00 0.00 174.74 174.07 2kcq s PRO 86 N -1.21 2.92 -0.30 8.40 0.02 -1.26 -2.42 135.00 141.15 2kcq s PRO 86 Ca 0.14 -1.06 -0.01 0.00 0.02 0.00 0.00 61.00 60.10 2kcq s PRO 86 Cb -0.11 -5.26 0.00 0.00 0.02 0.00 0.00 34.50 29.16 2kcq s PRO 86 CO 0.04 -3.28 0.01 -3.47 -0.33 0.00 0.00 177.00 169.98 2kcq n ASP 87 N 12.50 -7.75 -3.80 2.53 2.03 -0.97 -4.96 116.55 116.12 2kcq n ASP 87 Ca 0.43 1.44 -0.09 0.00 0.52 0.00 0.00 54.79 57.09 2kcq n ASP 87 Cb 0.47 -5.35 -0.04 0.00 -0.72 0.00 0.00 41.12 35.49 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 -1.60 -0.06 -2.00 -0.67 3.76 -1.26 -5.04 115.29 108.43 2kcq s HIS 88 Ca -0.01 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 54.60 2kcq s HIS 88 Cb 0.00 0.42 0.06 0.00 1.11 0.00 0.00 32.58 34.17 2kcq s HIS 88 CO 0.79 -0.99 0.32 -0.35 -0.85 0.00 0.00 174.74 173.65 2kcq n PRO 89 N -0.37 0.07 -0.33 8.40 -0.04 -1.26 -4.70 135.00 136.77 2kcq n PRO 89 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2kcq n PRO 89 Cb 0.62 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.73 0.00 -2.57 0.55 0.00 -1.26 -4.96 120.51 111.54 2kcq n ALA 90 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2kcq n ALA 90 Cb 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.21 3.76 0.30 0.00 1.70 -1.26 -4.71 118.95 118.53 2kcq s ARG 91 Ca 0.00 0.17 -0.30 0.00 -0.47 0.00 0.00 55.73 55.13 2kcq s ARG 91 Cb 0.00 -2.97 -0.11 0.00 -0.57 0.00 0.00 34.95 31.30 2kcq s ARG 91 CO 0.00 0.54 1.56 -2.14 -1.08 0.00 0.00 175.30 174.19 2kcq s PRO 92 N -2.00 4.14 0.87 3.89 0.02 -1.26 -5.03 135.00 135.63 2kcq s PRO 92 Ca 0.34 2.54 -0.09 0.00 0.02 0.00 0.00 61.00 63.82 2kcq s PRO 92 Cb -0.14 -3.03 0.18 0.00 0.02 0.00 0.00 34.50 31.54 2kcq s PRO 92 CO 0.19 -0.59 1.18 -1.12 -0.33 0.00 0.00 177.00 176.33 2kcq s SER 93 N 0.41 3.54 0.14 2.53 0.01 -1.26 -4.91 113.70 114.15 2kcq s SER 93 Ca 0.62 -0.15 -0.18 0.00 1.31 0.00 0.00 55.95 57.54 2kcq s SER 93 Cb -0.47 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 65.78 2kcq s SER 93 CO 0.49 -2.43 1.76 0.00 0.41 0.00 0.00 173.24 173.47 2kcq h ALA 94 N -1.17 0.32 -0.19 1.44 0.00 -2.00 -2.49 119.26 115.17 2kcq h ALA 94 Ca -0.39 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2kcq h ALA 94 Cb 1.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kcq h ALA 94 CO 0.35 -0.28 -0.19 1.15 0.00 0.00 0.00 179.25 180.28 2kcq h THR 95 N 0.26 1.23 -0.86 0.00 2.02 -1.98 -0.84 112.91 112.73 2kcq h THR 95 Ca 0.11 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.27 2kcq h THR 95 Cb 0.05 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 2kcq h THR 95 CO -0.09 0.33 0.57 0.44 0.37 0.00 0.00 175.52 177.13 2kcq h ASP 96 N 0.31 0.98 -0.33 4.18 3.32 -1.83 -1.61 116.42 121.44 2kcq h ASP 96 Ca 0.05 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 2kcq h ASP 96 Cb 0.52 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2kcq h ASP 96 CO 0.03 0.71 -0.35 0.25 -1.72 0.00 0.00 179.24 178.16 2kcq h LEU 97 N 1.16 0.92 -1.01 1.55 6.46 -0.97 -1.96 115.31 121.47 2kcq h LEU 97 Ca 0.32 -0.40 0.01 0.00 -0.12 0.00 0.00 57.88 57.69 2kcq h LEU 97 Cb -0.12 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 39.50 2kcq h LEU 97 CO -0.07 1.17 0.67 -0.33 -0.62 0.00 0.00 178.44 179.26 2kcq h GLU 98 N 0.73 1.32 0.00 1.25 5.08 -0.39 -2.02 114.58 120.54 2kcq h GLU 98 Ca 0.07 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kcq h GLU 98 Cb 0.92 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2kcq h GLU 98 CO 0.08 0.87 -0.61 -0.85 -1.00 0.00 0.00 179.01 177.51 2kcq n GLU 99 N -4.39 0.03 -2.63 2.33 0.28 -0.68 -4.64 120.64 110.94 2kcq n GLU 99 Ca 0.12 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.71 2kcq n GLU 99 Cb 0.01 -1.51 -0.03 0.00 1.43 0.00 0.00 31.44 31.34 2kcq n GLU 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kcq s ALA 100 N -3.02 2.84 -0.18 -1.84 0.00 -0.74 -4.74 121.76 114.08 2kcq s ALA 100 Ca 0.10 -2.24 0.14 0.00 0.00 0.00 0.00 51.96 49.95 2kcq s ALA 100 Cb 0.17 -4.40 0.38 0.00 0.00 0.00 0.00 23.12 19.27 2kcq s ALA 100 CO 0.73 -3.45 1.20 2.41 0.00 0.00 0.00 175.76 176.65 2kcq n THR 101 N 6.56 2.11 -3.73 0.00 -1.04 -1.26 -4.90 114.28 112.01 2kcq n THR 101 Ca 0.27 -2.94 -0.35 0.00 -2.04 0.00 0.00 64.05 58.99 2kcq n THR 101 Cb 0.50 -0.24 -0.09 0.00 -1.82 0.00 0.00 70.33 68.68 2kcq n THR 101 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2kcq s PHE 102 N -3.12 3.52 0.37 -1.42 0.08 -1.26 -5.08 117.98 111.06 2kcq s PHE 102 Ca 0.36 -2.89 -0.26 0.00 0.12 0.00 0.00 56.93 54.26 2kcq s PHE 102 Cb 0.34 -3.14 -0.09 0.00 -0.57 0.00 0.00 43.02 39.56 2kcq s PHE 102 CO -0.04 -0.78 1.15 -1.25 -0.10 0.00 0.00 175.22 174.20 2kcq s PRO 103 N -0.54 4.24 0.00 0.24 0.04 -1.26 -3.35 135.00 134.37 2kcq s PRO 103 Ca 0.20 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2kcq s PRO 103 Cb -0.16 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.57 2kcq s PRO 103 CO -0.06 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.23 2kcq n GLY 104 N 0.73 3.44 3.85 0.56 0.00 -1.26 -5.04 105.19 107.46 2kcq n GLY 104 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.87 3.64 -0.17 1.61 0.08 -1.21 -4.90 117.98 114.15 2kcq s PHE 105 Ca 0.00 0.99 -0.17 0.00 0.12 0.00 0.00 56.93 57.86 2kcq s PHE 105 Cb 0.00 -2.30 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 2kcq s PHE 105 CO 0.00 0.51 0.46 0.99 -0.10 0.00 0.00 175.22 177.08 2kcq s THR 106 N -1.35 5.17 -0.35 0.64 2.01 -1.12 -4.11 115.64 116.52 2kcq s THR 106 Ca 0.33 0.86 -0.16 0.00 0.31 0.00 0.00 61.69 63.04 2kcq s THR 106 Cb -0.15 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 2kcq s THR 106 CO 0.18 0.25 0.39 -0.31 -0.69 0.00 0.00 174.62 174.44 2kcq s TYR 107 N 1.17 3.20 -0.32 4.92 2.02 0.46 -0.12 117.35 128.68 2kcq s TYR 107 Ca 0.23 -0.03 -0.14 0.00 -0.37 0.00 0.00 57.07 56.76 2kcq s TYR 107 Cb -0.15 -2.72 -0.02 0.00 -0.40 0.00 0.00 41.96 38.67 2kcq s TYR 107 CO 0.09 -0.47 0.32 0.08 -1.57 0.00 0.00 175.55 174.00 2kcq s VAL 108 N 2.08 5.21 -0.18 0.71 1.01 0.57 -0.04 120.40 129.75 2kcq s VAL 108 Ca 0.13 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 2kcq s VAL 108 Cb -0.16 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2kcq s VAL 108 CO 0.12 0.00 -0.04 -0.63 0.00 0.00 0.00 175.10 174.55 2kcq s ILE 109 N 1.95 3.61 -0.03 2.22 1.01 0.88 -1.74 121.20 129.10 2kcq s ILE 109 Ca 0.11 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.38 2kcq s ILE 109 Cb -0.16 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 2kcq s ILE 109 CO 0.11 0.46 -0.21 0.54 0.00 0.00 0.00 174.94 175.84 2kcq s VAL 110 N 0.90 2.50 -0.48 2.92 0.11 -1.23 -1.30 120.40 123.82 2kcq s VAL 110 Ca -0.01 -0.94 -0.18 0.00 -2.93 0.00 0.00 61.98 57.93 2kcq s VAL 110 Cb -0.15 -1.92 0.05 0.00 -1.53 0.00 0.00 36.38 32.83 2kcq s VAL 110 CO 0.01 0.58 0.54 -0.55 -3.33 0.00 0.00 175.10 172.36 2kcq s SER 111 N -0.66 6.21 -0.28 3.54 0.15 -0.43 -2.07 113.70 120.17 2kcq s SER 111 Ca 0.10 -0.90 -0.06 0.00 0.70 0.00 0.00 55.95 55.79 2kcq s SER 111 Cb -0.10 -2.26 -0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2kcq s SER 111 CO -0.00 -0.77 0.06 -0.69 1.20 0.00 0.00 173.24 173.04 2kcq s VAL 112 N 2.36 3.95 -0.93 4.45 1.01 -1.01 -0.29 120.40 129.93 2kcq s VAL 112 Ca 0.13 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 2kcq s VAL 112 Cb -0.19 -2.97 0.18 0.00 0.00 0.00 0.00 36.38 33.40 2kcq s VAL 112 CO 0.12 0.18 1.02 -0.60 0.00 0.00 0.00 175.10 175.82 2kcq s ARG 113 N 1.52 3.69 -0.32 2.72 3.52 0.15 -2.30 118.95 127.93 2kcq s ARG 113 Ca 0.04 -2.20 0.00 0.00 -0.13 0.00 0.00 55.73 53.44 2kcq s ARG 113 Cb -0.16 -4.73 0.00 0.00 -1.56 0.00 0.00 34.95 28.50 2kcq s ARG 113 CO 0.02 -1.56 0.00 -3.47 -0.81 0.00 0.00 175.30 169.48 2kcq n ASP 114 N 5.25 -5.26 0.00 -2.12 2.03 -1.26 -1.56 116.55 113.63 2kcq n ASP 114 Ca 0.21 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.60 2kcq n ASP 114 Cb 0.47 -3.02 0.00 0.00 -0.72 0.00 0.00 41.12 37.85 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 -0.10 1.22 3.40 0.27 0.00 -1.26 -4.48 105.19 104.23 2kcq n GLY 115 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.24 3.55 -0.31 4.61 0.00 -0.60 -4.26 121.76 124.51 2kcq s ALA 116 Ca 0.00 -2.05 -0.29 0.00 0.00 0.00 0.00 51.96 49.62 2kcq s ALA 116 Cb 0.00 -3.05 -0.00 0.00 0.00 0.00 0.00 23.12 20.06 2kcq s ALA 116 CO 0.00 -1.70 1.39 -2.14 0.00 0.00 0.00 175.76 173.31 2kcq s PRO 117 N 1.67 3.82 -0.02 0.00 0.02 -1.26 0.30 135.00 139.53 2kcq s PRO 117 Ca 0.04 1.26 -0.01 0.00 0.02 0.00 0.00 61.00 62.31 2kcq s PRO 117 Cb -0.23 -3.94 -0.00 0.00 0.02 0.00 0.00 34.50 30.34 2kcq s PRO 117 CO 0.07 -1.25 -0.03 1.49 -0.33 0.00 0.00 177.00 176.96 2kcq h GLU 118 N 9.87 0.00 -5.30 5.54 4.81 -1.04 -3.48 114.58 124.99 2kcq h GLU 118 Ca -0.28 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.31 2kcq h GLU 118 Cb 1.11 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.25 2kcq h GLU 118 CO 1.04 0.00 -0.70 0.00 -0.73 0.00 0.00 179.01 178.62 2kcq s ALA 119 N -2.95 2.86 -0.25 2.92 0.00 -1.25 -4.98 121.76 118.13 2kcq s ALA 119 Ca -0.02 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 51.01 2kcq s ALA 119 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 2kcq s ALA 119 CO 0.04 0.21 0.09 -0.51 0.00 0.00 0.00 175.76 175.58 2kcq s LEU 120 N 0.38 3.57 -0.03 0.00 1.43 -1.26 -1.31 118.68 121.46 2kcq s LEU 120 Ca -0.06 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2kcq s LEU 120 Cb -0.15 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.12 2kcq s LEU 120 CO 0.04 -0.01 -0.09 0.42 0.23 0.00 0.00 176.35 176.94 2kcq s THR 121 N 1.49 0.78 -0.03 5.49 -4.23 -0.42 -5.02 115.64 113.68 2kcq s THR 121 Ca 0.06 -0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.24 2kcq s THR 121 Cb -0.15 -0.70 -0.03 0.00 1.34 0.00 0.00 72.50 72.96 2kcq s THR 121 CO 0.05 0.25 -0.05 0.00 -0.54 0.00 0.00 174.62 174.32 2kcq s ALA 122 N 0.26 3.07 -0.01 3.99 0.00 -1.25 -0.08 121.76 127.73 2kcq s ALA 122 Ca -0.04 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.00 2kcq s ALA 122 Cb -0.09 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.80 2kcq s ALA 122 CO 0.01 0.60 -0.06 -1.58 0.00 0.00 0.00 175.76 174.72 2kcq s TRP 123 N -0.92 0.64 -0.20 0.00 0.52 0.94 -0.96 118.94 118.96 2kcq s TRP 123 Ca 0.15 -0.13 -0.07 0.00 0.02 0.00 0.00 56.10 56.07 2kcq s TRP 123 Cb -0.11 -0.46 -0.04 0.00 -1.15 0.00 0.00 33.47 31.72 2kcq s TRP 123 CO 0.05 -0.05 0.06 0.00 0.02 0.00 0.00 176.95 177.03 2kcq s ALA 124 N 0.08 3.31 -0.26 0.98 0.00 0.14 -0.40 121.76 125.61 2kcq s ALA 124 Ca -0.01 -0.87 -0.25 0.00 0.00 0.00 0.00 51.96 50.83 2kcq s ALA 124 Cb -0.05 -1.95 -0.00 0.00 0.00 0.00 0.00 23.12 21.11 2kcq s ALA 124 CO -0.00 -0.03 0.85 -1.17 0.00 0.00 0.00 175.76 175.41 2kcq s LEU 125 N 0.76 4.07 0.44 0.00 2.96 -1.26 -0.32 118.68 125.34 2kcq s LEU 125 Ca 0.03 1.00 -0.25 0.00 -0.22 0.00 0.00 54.13 54.69 2kcq s LEU 125 Cb -0.13 -3.21 -0.08 0.00 0.50 0.00 0.00 46.19 43.27 2kcq s LEU 125 CO 0.02 -0.56 1.31 0.00 -1.32 0.00 0.00 176.35 175.80 2kcq s ALA 126 N 2.92 3.15 0.60 5.97 0.00 -1.19 -4.32 121.76 128.90 2kcq s ALA 126 Ca 0.36 1.24 0.31 0.00 0.00 0.00 0.00 51.96 53.86 2kcq s ALA 126 Cb -0.15 -3.50 1.80 0.00 0.00 0.00 0.00 23.12 21.27 2kcq s ALA 126 CO 0.08 -0.94 2.18 -1.35 0.00 0.00 0.00 175.76 175.73 2kcq h PRO 127 N 2.34 0.00 0.00 0.00 0.11 -1.95 0.37 132.00 132.87 2kcq h PRO 127 Ca -0.50 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2kcq h PRO 127 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2kcq h PRO 127 CO 0.61 0.00 -0.13 0.22 -0.21 0.00 0.00 178.00 178.49 2kcq h ASP 128 N 0.00 0.00 -5.23 -2.05 3.58 -1.95 -3.47 116.42 107.30 2kcq h ASP 128 Ca 0.04 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 57.10 2kcq h ASP 128 Cb 0.26 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.26 2kcq h ASP 128 CO -0.00 0.13 -0.57 -1.14 -2.88 0.00 0.00 179.24 174.77 2kcq n ARG 129 N -3.36 -3.83 0.01 0.28 0.63 0.13 -4.84 116.66 105.68 2kcq n ARG 129 Ca -0.00 0.58 0.11 0.00 -0.92 0.00 0.00 57.85 57.62 2kcq n ARG 129 Cb 0.33 -5.34 -0.04 0.00 0.45 0.00 0.00 32.46 27.86 2kcq n ARG 129 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2kcq n SER 130 N -2.36 0.71 -3.64 6.15 7.64 -1.26 -5.03 113.62 115.84 2kcq n SER 130 Ca -0.04 -0.58 -0.01 0.00 1.01 0.00 0.00 58.87 59.26 2kcq n SER 130 Cb 0.56 0.97 -0.00 0.00 -1.01 0.00 0.00 64.21 64.73 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 -3.11 0.80 0.19 1.43 -1.05 -1.26 -5.13 118.70 110.57 2kcq s GLU 131 Ca 0.05 -0.47 0.06 0.00 -0.15 0.00 0.00 54.97 54.46 2kcq s GLU 131 Cb 0.16 0.25 -0.04 0.00 -0.44 0.00 0.00 34.13 34.06 2kcq s GLU 131 CO 0.83 -0.37 0.14 -0.06 0.95 0.00 0.00 175.26 176.75 2kcq s PHE 132 N -2.57 3.10 -0.01 4.83 0.40 -1.26 -3.14 117.98 119.33 2kcq s PHE 132 Ca 0.17 -0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.51 2kcq s PHE 132 Cb 0.01 -1.46 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 2kcq s PHE 132 CO 0.00 0.52 -0.23 -1.01 0.70 0.00 0.00 175.22 175.21 2kcq s HIS 133 N -1.87 2.02 0.30 0.36 3.76 0.56 -4.93 115.29 115.49 2kcq s HIS 133 Ca 0.31 -0.38 -0.29 0.00 -0.15 0.00 0.00 55.06 54.55 2kcq s HIS 133 Cb -0.09 -1.29 -0.11 0.00 1.11 0.00 0.00 32.58 32.20 2kcq s HIS 133 CO 0.23 -0.02 1.50 0.50 -0.85 0.00 0.00 174.74 176.10 2kcq s ARG 134 N -0.59 4.19 0.12 1.40 6.06 -1.26 -0.68 118.95 128.18 2kcq s ARG 134 Ca 0.09 2.46 0.04 0.00 -2.50 0.00 0.00 55.73 55.82 2kcq s ARG 134 Cb -0.09 -3.04 -0.04 0.00 0.06 0.00 0.00 34.95 31.84 2kcq s ARG 134 CO -0.01 -0.50 -0.11 -2.00 -2.50 0.00 0.00 175.30 170.18 2kcq s GLU 135 N -0.93 0.96 0.25 5.12 2.56 -0.14 -4.81 118.70 121.73 2kcq s GLU 135 Ca 0.58 -1.29 0.07 0.00 0.00 0.00 0.00 54.97 54.34 2kcq s GLU 135 Cb -0.45 -0.64 -0.05 0.00 2.00 0.00 0.00 34.13 34.98 2kcq s GLU 135 CO 0.50 0.10 -0.08 -0.51 -0.56 0.00 0.00 175.26 174.71 2kcq s ASP 136 N -2.72 2.65 -0.36 -1.70 1.01 -1.26 -3.88 116.67 110.41 2kcq s ASP 136 Ca 0.10 -1.14 -0.26 0.00 0.71 0.00 0.00 52.55 51.97 2kcq s ASP 136 Cb -0.01 -0.15 0.01 0.00 1.01 0.00 0.00 42.92 43.78 2kcq s ASP 136 CO 0.01 -0.30 0.92 -0.63 0.21 0.00 0.00 175.17 175.38 2kcq s ILE 137 N -3.02 4.60 -0.06 0.77 -1.09 -1.26 -4.76 121.20 116.37 2kcq s ILE 137 Ca 0.27 1.23 0.05 0.00 -2.23 0.00 0.00 60.65 59.97 2kcq s ILE 137 Cb 0.02 -4.32 -0.01 0.00 -1.58 0.00 0.00 42.46 36.58 2kcq s ILE 137 CO 0.10 -0.51 -0.23 0.68 -1.23 0.00 0.00 174.94 173.75 2kcq s VAL 138 N 3.44 1.94 -0.53 2.92 -7.23 -1.25 -5.03 120.40 114.66 2kcq s VAL 138 Ca 0.38 -0.99 -0.20 0.00 -1.81 0.00 0.00 61.98 59.36 2kcq s VAL 138 Cb -0.12 -1.65 0.06 0.00 0.56 0.00 0.00 36.38 35.23 2kcq s VAL 138 CO 0.18 0.54 0.68 -0.13 -0.31 0.00 0.00 175.10 176.06 2kcq s ARG 139 N -0.03 3.14 0.64 4.82 0.52 -1.26 -2.65 118.95 124.13 2kcq s ARG 139 Ca -0.07 -0.85 -0.15 0.00 -0.52 0.00 0.00 55.73 54.14 2kcq s ARG 139 Cb -0.14 -4.11 -0.01 0.00 0.52 0.00 0.00 34.95 31.20 2kcq s ARG 139 CO 0.04 -1.31 1.09 -1.25 0.02 0.00 0.00 175.30 173.90 2kcq s PRO 140 N 2.84 2.98 -0.42 3.54 0.04 -1.26 -5.01 135.00 137.71 2kcq s PRO 140 Ca 0.17 1.33 -0.20 0.00 0.04 0.00 0.00 61.00 62.34 2kcq s PRO 140 Cb -0.19 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.39 2kcq s PRO 140 CO 0.12 -1.10 0.58 -0.51 0.04 0.00 0.00 177.00 176.13 2kcq s ASP 141 N -2.65 6.30 0.24 6.66 1.01 -1.26 -5.04 116.67 121.94 2kcq s ASP 141 Ca 0.66 -0.33 -0.31 0.00 0.71 0.00 0.00 52.55 53.28 2kcq s ASP 141 Cb -0.19 -2.29 -0.11 0.00 1.01 0.00 0.00 42.92 41.34 2kcq s ASP 141 CO 0.40 -0.68 1.55 -2.16 0.21 0.00 0.00 175.17 174.49 2kcq s PRO 142 N 2.60 4.19 -1.48 8.23 0.04 -1.26 -3.23 135.00 144.09 2kcq s PRO 142 Ca 0.20 2.44 -0.12 0.00 0.04 0.00 0.00 61.00 63.56 2kcq s PRO 142 Cb -0.15 -3.08 0.06 0.00 0.04 0.00 0.00 34.50 31.37 2kcq s PRO 142 CO 0.17 -0.57 1.04 0.39 0.04 0.00 0.00 177.00 178.07 2kcq n GLU 143 N 2.78 -6.26 -2.85 4.56 4.71 -1.26 -4.95 120.64 117.38 2kcq n GLU 143 Ca 0.10 0.67 -0.43 0.00 -0.01 0.00 0.00 57.16 57.49 2kcq n GLU 143 Cb 0.38 -5.60 -0.04 0.00 -1.01 0.00 0.00 31.44 25.17 2kcq n GLU 143 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kcq s ALA 144 N -3.32 3.12 0.28 0.62 0.00 -1.20 -5.03 121.76 116.24 2kcq s ALA 144 Ca 0.62 -1.60 -0.29 0.00 0.00 0.00 0.00 51.96 50.69 2kcq s ALA 144 Cb -0.30 -3.81 -0.10 0.00 0.00 0.00 0.00 23.12 18.91 2kcq s ALA 144 CO 0.80 -2.63 1.26 -2.14 0.00 0.00 0.00 175.76 173.05 2kcq s PRO 145 N 4.05 4.44 -0.18 0.00 0.02 -1.26 -4.95 135.00 137.11 2kcq s PRO 145 Ca 0.25 2.06 -0.11 0.00 0.02 0.00 0.00 61.00 63.23 2kcq s PRO 145 Cb -0.15 -3.14 -0.08 0.00 0.02 0.00 0.00 34.50 31.16 2kcq s PRO 145 CO 0.14 -0.11 -0.26 1.28 -0.33 0.00 0.00 177.00 177.72 2kcq n LEU 146 N 1.48 1.52 -3.95 -5.54 4.77 -1.26 -4.83 117.00 109.18 2kcq n LEU 146 Ca 0.02 0.26 -0.30 0.00 -0.03 0.00 0.00 56.01 55.95 2kcq n LEU 146 Cb 0.43 -0.61 -0.11 0.00 -2.33 0.00 0.00 43.42 40.80 2kcq n LEU 146 CO 0.57 0.20 0.03 -0.70 -1.33 0.00 0.00 177.39 176.16 2kcq s GLU 147 N -2.46 2.60 0.00 3.23 2.12 -1.26 -4.78 118.70 118.15 2kcq s GLU 147 Ca -0.27 -3.26 0.22 0.00 0.36 0.00 0.00 54.97 52.03 2kcq s GLU 147 Cb 0.09 -3.53 -0.07 0.00 0.26 0.00 0.00 34.13 30.88 2kcq s GLU 147 CO 0.35 -1.26 1.01 1.58 -0.54 0.00 0.00 175.26 176.39 2kcq n HIS 148 N 2.17 0.01 -5.25 5.30 -0.00 -1.26 -4.88 115.22 111.31 2kcq n HIS 148 Ca 0.19 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 58.05 2kcq n HIS 148 Cb 0.35 -0.07 -0.17 0.00 -0.12 0.00 0.00 29.99 29.98 2kcq n HIS 148 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kcq s HIS 149 N -3.01 2.43 -0.20 1.57 5.65 -1.26 -4.86 115.29 115.60 2kcq s HIS 149 Ca 0.08 -0.76 -0.07 0.00 0.25 0.00 0.00 55.06 54.57 2kcq s HIS 149 Cb 0.16 -1.60 0.01 0.00 -1.18 0.00 0.00 32.58 29.98 2kcq s HIS 149 CO 0.83 -0.24 0.26 1.58 -0.65 0.00 0.00 174.74 176.52 2kcq n HIS 150 N 3.02 -1.72 -3.06 3.88 -0.00 -1.26 -5.06 115.22 111.02 2kcq n HIS 150 Ca -0.18 0.70 -0.18 0.00 -0.00 0.00 0.00 57.72 58.07 2kcq n HIS 150 Cb 0.52 -2.75 0.01 0.00 -0.00 0.00 0.00 29.99 27.77 2kcq n HIS 150 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kcq s HIS 151 N -1.67 2.88 0.20 1.57 0.09 -1.26 -5.05 115.29 112.06 2kcq s HIS 151 Ca 0.11 -0.32 0.04 0.00 -0.00 0.00 0.00 55.06 54.89 2kcq s HIS 151 Cb -0.03 -2.34 -0.03 0.00 -0.00 0.00 0.00 32.58 30.18 2kcq s HIS 151 CO 0.37 -0.38 0.32 -1.01 -0.00 0.00 0.00 174.74 174.04 2kcq s HIS 152 N -2.36 3.45 0.00 1.40 3.76 -1.26 -5.22 115.29 115.06 2kcq s HIS 152 Ca 0.53 0.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.47 2kcq s HIS 152 Cb -0.10 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 31.99 2kcq s HIS 152 CO 0.33 0.47 0.37 0.72 -0.85 0.00 0.00 174.74 175.79