#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xdn n LYS 6 N 0.00 0.60 0.01 -0.78 0.00 -1.26 -1.38 118.16 115.34 2xdn n LYS 6 Ca 0.00 0.02 -0.06 0.00 -0.00 0.00 0.00 58.31 58.27 2xdn n LYS 6 Cb 0.00 -1.50 0.13 0.00 -0.00 0.00 0.00 35.03 33.66 2xdn n LYS 6 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2xdn h GLU 7 N 0.00 0.51 -0.09 -1.58 5.08 -2.05 -2.97 114.58 113.48 2xdn h GLU 7 Ca 0.00 -0.25 0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2xdn h GLU 7 Cb 0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2xdn h GLU 7 CO 0.00 0.82 -0.07 1.49 -1.00 0.00 0.00 179.01 180.26 2xdn h GLU 8 N 0.42 -0.08 -0.70 2.33 4.22 -1.67 -0.58 114.58 118.52 2xdn h GLU 8 Ca 0.04 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.50 2xdn h GLU 8 Cb 0.88 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 2xdn h GLU 8 CO 0.08 -0.05 0.45 0.00 -2.18 0.00 0.00 179.01 177.30 2xdn h ALA 9 N 0.99 0.89 0.00 2.92 0.00 -1.68 -1.32 119.26 121.06 2xdn h ALA 9 Ca 0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2xdn h ALA 9 Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2xdn h ALA 9 CO -0.14 0.27 -0.52 -0.56 0.00 0.00 0.00 179.25 178.31 2xdn h GLN 10 N 0.91 0.00 0.16 0.00 3.07 -1.35 -1.13 115.11 116.77 2xdn h GLN 10 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.00 2xdn h GLN 10 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.50 2xdn h GLN 10 CO -0.08 0.52 -0.08 1.49 0.09 0.00 0.00 178.83 180.77 2xdn h GLU 11 N 0.00 -0.20 -0.70 0.06 4.81 -0.41 -1.38 114.58 116.75 2xdn h GLU 11 Ca -0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2xdn h GLU 11 Cb 0.95 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 2xdn h GLU 11 CO 0.07 0.01 0.45 1.15 -0.73 0.00 0.00 179.01 179.95 2xdn h THR 12 N -0.38 1.18 -0.37 0.32 2.02 -1.09 -0.08 112.91 114.51 2xdn h THR 12 Ca -0.02 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 66.68 2xdn h THR 12 Cb 0.30 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2xdn h THR 12 CO 0.04 0.18 -0.27 -0.09 0.37 0.00 0.00 175.52 175.74 2xdn h ARG 13 N 0.95 0.83 -0.79 6.66 2.43 -1.12 -0.34 114.38 122.99 2xdn h ARG 13 Ca 0.25 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 2xdn h ARG 13 Cb -0.09 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 2xdn h ARG 13 CO -0.05 1.04 0.45 0.00 -1.51 0.00 0.00 179.97 179.90 2xdn h ALA 14 N 0.77 1.29 -0.06 2.80 0.00 -0.69 -0.68 119.26 122.69 2xdn h ALA 14 Ca 0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2xdn h ALA 14 Cb 0.85 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2xdn h ALA 14 CO 0.07 0.58 -0.25 1.96 0.00 0.00 0.00 179.25 181.62 2xdn h GLN 15 N 1.10 0.09 0.06 0.00 4.20 -0.41 -1.89 115.11 118.27 2xdn h GLN 15 Ca 0.28 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.81 2xdn h GLN 15 Cb 0.00 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 27.79 2xdn h GLN 15 CO -0.05 0.34 -0.66 0.82 -0.67 0.00 0.00 178.83 178.62 2xdn h ILE 16 N 0.09 1.49 -0.85 2.54 2.04 -0.37 -3.10 117.51 119.35 2xdn h ILE 16 Ca 0.01 -2.29 0.06 0.00 1.00 0.00 0.00 64.86 63.64 2xdn h ILE 16 Cb 0.49 2.91 -0.06 0.00 -0.74 0.00 0.00 36.82 39.42 2xdn h ILE 16 CO 0.03 0.65 0.53 0.40 0.00 0.00 0.00 178.15 179.76 2xdn h ILE 17 N -0.28 1.06 -0.22 -0.67 2.04 -1.04 -0.58 117.51 117.82 2xdn h ILE 17 Ca -0.10 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.46 2xdn h ILE 17 Cb 1.43 -0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2xdn h ILE 17 CO 0.13 0.18 0.02 -0.33 0.00 0.00 0.00 178.15 178.14 2xdn h GLU 18 N 0.98 0.09 0.00 2.37 5.08 -1.42 -1.71 114.58 119.96 2xdn h GLU 18 Ca 0.36 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2xdn h GLU 18 Cb 0.14 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2xdn h GLU 18 CO -0.16 0.06 0.00 0.00 -1.00 0.00 0.00 179.01 177.91 2xdn h ALA 19 N 1.17 1.00 -0.11 3.43 0.00 -1.44 -1.36 119.26 121.95 2xdn h ALA 19 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2xdn h ALA 19 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2xdn h ALA 19 CO -0.16 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 178.93 2xdn h ALA 20 N 2.30 0.17 -0.72 0.00 0.00 -0.93 0.13 119.26 120.21 2xdn h ALA 20 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 2xdn h ALA 20 Cb 0.82 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2xdn h ALA 20 CO 0.00 0.07 0.23 1.49 0.00 0.00 0.00 179.25 181.05 2xdn h GLU 21 N -0.12 1.10 -0.63 0.00 4.81 -1.14 0.25 114.58 118.85 2xdn h GLU 21 Ca 0.01 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 58.93 2xdn h GLU 21 Cb 0.72 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 2xdn h GLU 21 CO 0.04 0.94 0.08 0.00 -0.73 0.00 0.00 179.01 179.34 2xdn h ARG 22 N 1.05 1.06 0.46 1.92 3.08 -1.19 -0.25 114.38 120.52 2xdn h ARG 22 Ca 0.23 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2xdn h ARG 22 Cb 0.29 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2xdn h ARG 22 CO -0.01 0.99 -0.22 0.00 -1.07 0.00 0.00 179.97 179.66 2xdn h ALA 23 N 1.02 -0.65 -0.51 0.04 0.00 -0.43 -2.54 119.26 116.19 2xdn h ALA 23 Ca 0.19 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.07 2xdn h ALA 23 Cb 0.46 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 2xdn h ALA 23 CO 0.02 -0.60 -0.04 0.74 0.00 0.00 0.00 179.25 179.36 2xdn h PHE 24 N -1.11 -0.11 -0.86 0.00 0.05 -0.60 0.60 116.94 114.92 2xdn h PHE 24 Ca -0.06 0.04 0.07 0.00 3.82 0.00 0.00 57.97 61.84 2xdn h PHE 24 Cb 0.48 0.13 -0.06 0.00 2.00 0.00 0.00 35.95 38.50 2xdn h PHE 24 CO 0.01 -0.16 0.56 -0.92 -0.18 0.00 0.00 178.31 177.62 2xdn h TYR 25 N 0.08 0.95 0.02 -0.55 3.20 -1.10 0.14 116.97 119.70 2xdn h TYR 25 Ca 0.26 0.02 -0.32 0.00 3.14 0.00 0.00 58.73 61.83 2xdn h TYR 25 Cb 0.40 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 2xdn h TYR 25 CO -0.36 0.48 -1.91 1.63 -1.64 0.00 0.00 178.16 176.37 2xdn n LYS 26 N -4.50 0.66 0.00 1.82 5.02 -0.66 -4.55 118.16 115.95 2xdn n LYS 26 Ca 0.13 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 2xdn n LYS 26 Cb 0.24 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 2xdn n LYS 26 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2xdn n ARG 27 N -3.06 1.63 0.00 1.97 1.74 0.11 -5.10 116.66 113.95 2xdn n ARG 27 Ca -0.23 -0.27 0.00 0.00 -0.77 0.00 0.00 57.85 56.57 2xdn n ARG 27 Cb 1.07 -0.75 0.00 0.00 -1.02 0.00 0.00 32.46 31.76 2xdn n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xdn n GLY 28 N 0.31 -1.20 0.22 -0.13 0.00 0.48 -4.70 105.19 100.17 2xdn n GLY 28 Ca 0.00 -1.57 -0.16 0.00 0.00 0.00 0.00 46.02 44.29 2xdn n GLY 28 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2xdn h VAL 29 N 0.00 1.30 -0.57 1.61 2.07 -1.51 -3.29 116.25 115.86 2xdn h VAL 29 Ca 0.00 -1.83 0.11 0.00 0.82 0.00 0.00 66.70 65.81 2xdn h VAL 29 Cb 0.00 1.90 -0.11 0.00 -1.52 0.00 0.00 31.29 31.56 2xdn h VAL 29 CO 0.00 0.58 -0.15 0.00 0.02 0.00 0.00 177.57 178.02 2xdn h ALA 30 N 0.58 0.36 -0.00 1.67 0.00 -1.86 -2.41 119.26 117.60 2xdn h ALA 30 Ca -0.02 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2xdn h ALA 30 Cb 1.24 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2xdn h ALA 30 CO 0.13 -0.44 -0.76 0.54 0.00 0.00 0.00 179.25 178.73 2xdn n ARG 31 N -5.40 1.21 -2.47 0.00 1.74 -1.26 -4.90 116.66 105.58 2xdn n ARG 31 Ca 0.06 -0.16 -0.42 0.00 -0.77 0.00 0.00 57.85 56.57 2xdn n ARG 31 Cb 0.30 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 2xdn n ARG 31 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2xdn s THR 32 N -2.58 3.99 0.42 0.55 2.01 -0.91 -5.04 115.64 114.08 2xdn s THR 32 Ca 0.08 1.54 0.07 0.00 0.31 0.00 0.00 61.69 63.70 2xdn s THR 32 Cb 0.14 -3.99 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 2xdn s THR 32 CO 0.68 0.19 0.10 0.28 -0.69 0.00 0.00 174.62 175.18 2xdn s THR 33 N 0.48 2.11 0.45 -0.82 -1.32 -1.26 -4.93 115.64 110.34 2xdn s THR 33 Ca 0.54 -1.84 0.10 0.00 -1.21 0.00 0.00 61.69 59.28 2xdn s THR 33 Cb -0.29 -2.95 0.27 0.00 -1.51 0.00 0.00 72.50 68.02 2xdn s THR 33 CO 0.32 0.00 2.09 -0.07 -2.21 0.00 0.00 174.62 174.75 2xdn h LEU 34 N 1.56 0.31 -0.24 9.08 3.38 -1.97 -0.98 115.31 126.46 2xdn h LEU 34 Ca -0.43 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 2xdn h LEU 34 Cb 1.25 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2xdn h LEU 34 CO 0.75 0.23 -0.05 0.00 0.09 0.00 0.00 178.44 179.46 2xdn h ALA 35 N 1.82 0.33 -0.60 1.53 0.00 -1.97 0.43 119.26 120.80 2xdn h ALA 35 Ca 0.10 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.86 2xdn h ALA 35 Cb -0.04 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.59 2xdn h ALA 35 CO -0.02 0.11 0.16 -0.44 0.00 0.00 0.00 179.25 179.06 2xdn h ASP 36 N 0.19 0.06 -0.17 0.00 5.19 -1.80 -1.69 116.42 118.21 2xdn h ASP 36 Ca 0.06 0.10 -0.16 0.00 -0.62 0.00 0.00 57.03 56.41 2xdn h ASP 36 Cb 0.51 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 2xdn h ASP 36 CO 0.02 0.04 -0.48 0.40 -3.12 0.00 0.00 179.24 176.11 2xdn h ILE 37 N 0.30 1.29 0.93 0.35 2.04 -0.83 -2.35 117.51 119.24 2xdn h ILE 37 Ca 0.31 -1.67 -0.05 0.00 1.00 0.00 0.00 64.86 64.45 2xdn h ILE 37 Cb 0.45 1.59 0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2xdn h ILE 37 CO -0.38 0.54 -0.45 0.00 0.00 0.00 0.00 178.15 177.87 2xdn h ALA 38 N 0.88 -1.25 -0.70 1.87 0.00 0.24 0.11 119.26 120.41 2xdn h ALA 38 Ca 0.03 -0.27 0.16 0.00 0.00 0.00 0.00 54.91 54.83 2xdn h ALA 38 Cb 1.04 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 2xdn h ALA 38 CO 0.10 -1.18 0.48 1.05 0.00 0.00 0.00 179.25 179.70 2xdn h GLU 39 N -1.30 0.23 -0.18 0.00 9.09 -1.39 -0.52 114.58 120.51 2xdn h GLU 39 Ca -0.13 -0.01 -0.17 0.00 0.05 0.00 0.00 59.36 59.10 2xdn h GLU 39 Cb 0.96 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 28.00 2xdn h GLU 39 CO 0.21 0.15 -0.58 1.25 0.05 0.00 0.00 179.01 180.09 2xdn h LEU 40 N 0.24 0.65 -1.46 3.06 5.85 -1.02 -3.08 115.31 119.54 2xdn h LEU 40 Ca 0.34 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2xdn h LEU 40 Cb 1.00 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2xdn h LEU 40 CO -0.07 1.08 0.00 0.00 -0.34 0.00 0.00 178.44 179.11 2xdn n ALA 41 N -2.53 2.46 -3.66 1.25 0.00 -0.01 -4.96 120.51 113.06 2xdn n ALA 41 Ca -0.04 -0.69 -0.25 0.00 0.00 0.00 0.00 53.44 52.46 2xdn n ALA 41 Cb 0.62 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 19.14 2xdn n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xdn n GLY 42 N 1.18 -0.54 3.40 0.00 0.00 -0.38 -4.85 105.19 104.00 2xdn n GLY 42 Ca 0.15 0.25 -0.20 0.00 0.00 0.00 0.00 46.02 46.22 2xdn n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2xdn s VAL 43 N -3.31 1.11 0.66 1.61 -7.23 -0.85 -5.03 120.40 107.36 2xdn s VAL 43 Ca 0.61 -2.02 -0.10 0.00 -1.81 0.00 0.00 61.98 58.66 2xdn s VAL 43 Cb -0.28 -2.65 0.01 0.00 0.56 0.00 0.00 36.38 34.02 2xdn s VAL 43 CO 0.75 -0.10 1.03 0.42 -0.31 0.00 0.00 175.10 176.89 2xdn s THR 44 N -3.36 3.71 0.10 5.32 -4.23 -1.26 -4.00 115.64 111.91 2xdn s THR 44 Ca 0.34 0.40 -0.19 0.00 -1.18 0.00 0.00 61.69 61.06 2xdn s THR 44 Cb 0.08 -3.53 -0.07 0.00 1.34 0.00 0.00 72.50 70.31 2xdn s THR 44 CO 0.13 -0.65 1.61 -0.09 -0.54 0.00 0.00 174.62 175.08 2xdn h ARG 45 N -0.47 0.37 -0.48 3.99 9.65 -1.95 -1.98 114.38 123.51 2xdn h ARG 45 Ca -0.45 -0.08 0.09 0.00 -1.10 0.00 0.00 59.98 58.44 2xdn h ARG 45 Cb 1.25 -0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 29.70 2xdn h ARG 45 CO 0.63 0.45 0.05 0.78 2.80 0.00 0.00 179.97 184.67 2xdn h GLY 46 N 0.22 0.54 1.46 2.80 0.00 -1.97 -1.36 103.07 104.75 2xdn h GLY 46 Ca 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2xdn h GLY 46 CO -0.00 -0.10 0.24 0.00 0.00 0.00 0.00 176.54 176.68 2xdn h ALA 47 N 1.40 1.47 0.06 3.60 0.00 -1.86 -0.72 119.26 123.22 2xdn h ALA 47 Ca 0.24 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2xdn h ALA 47 Cb 0.34 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2xdn h ALA 47 CO -0.36 0.42 -0.53 0.97 0.00 0.00 0.00 179.25 179.75 2xdn h ILE 48 N 0.71 1.55 0.00 0.00 2.10 -0.80 -2.90 117.51 118.16 2xdn h ILE 48 Ca 0.18 -2.30 0.00 0.00 1.08 0.00 0.00 64.86 63.82 2xdn h ILE 48 Cb 0.08 3.02 0.00 0.00 -1.09 0.00 0.00 36.82 38.83 2xdn h ILE 48 CO -0.02 0.64 0.00 -1.22 -1.08 0.00 0.00 178.15 176.47 2xdn n TYR 49 N -4.29 0.05 0.11 2.19 4.02 -0.57 0.04 117.16 118.71 2xdn n TYR 49 Ca -0.12 0.03 -0.24 0.00 -0.01 0.00 0.00 57.90 57.56 2xdn n TYR 49 Cb 0.68 -0.54 -0.15 0.00 -0.02 0.00 0.00 39.34 39.30 2xdn n TYR 49 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 176.86 178.20 2xdn h TRP 50 N 0.00 0.85 0.04 -0.72 7.01 -0.93 -3.37 115.95 118.82 2xdn h TRP 50 Ca 0.00 -0.62 -0.27 0.00 2.11 0.00 0.00 58.89 60.11 2xdn h TRP 50 Cb 0.07 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 2xdn h TRP 50 CO 0.00 1.54 -1.46 0.45 -2.79 0.00 0.00 178.44 176.18 2xdn h HIS 51 N 0.03 0.14 -3.24 2.65 3.86 -1.22 -3.45 115.15 113.91 2xdn h HIS 51 Ca -0.26 -0.10 -0.46 0.00 -1.16 0.00 0.00 60.37 58.39 2xdn h HIS 51 Cb 2.05 -0.01 -0.38 0.00 1.06 0.00 0.00 27.41 30.14 2xdn h HIS 51 CO 0.14 1.14 -0.77 -0.06 0.86 0.00 0.00 177.93 179.23 2xdn s PHE 52 N -2.63 0.85 0.21 2.45 0.08 0.11 -5.01 117.98 114.04 2xdn s PHE 52 Ca -0.05 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.68 2xdn s PHE 52 Cb 0.08 -0.90 0.18 0.00 -0.57 0.00 0.00 43.02 41.81 2xdn s PHE 52 CO 0.83 -0.39 1.53 -0.97 -0.10 0.00 0.00 175.22 176.12 2xdn h ASN 53 N 8.29 0.42 -3.36 1.36 -1.24 -1.82 -3.32 115.58 115.91 2xdn h ASN 53 Ca -0.21 -0.24 -0.16 0.00 0.71 0.00 0.00 56.30 56.40 2xdn h ASN 53 Cb 1.13 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 40.02 2xdn h ASN 53 CO 0.29 0.92 0.01 -0.46 -1.29 0.00 0.00 177.43 176.90 2xdn n ASN 54 N -3.90 -1.53 0.15 1.15 2.04 -1.26 -4.99 115.26 106.92 2xdn n ASN 54 Ca -0.03 -2.58 0.01 0.00 -0.44 0.00 0.00 54.58 51.54 2xdn n ASN 54 Cb 0.62 2.70 0.22 0.00 -2.53 0.00 0.00 39.78 40.79 2xdn n ASN 54 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 2xdn h LYS 55 N 0.00 0.00 -0.43 -3.83 3.64 -1.97 -3.03 116.57 110.95 2xdn h LYS 55 Ca -0.26 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.01 2xdn h LYS 55 Cb 1.07 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 2xdn h LYS 55 CO 0.35 0.53 -0.17 0.00 -2.27 0.00 0.00 179.45 177.89 2xdn h ALA 56 N 1.47 0.88 -0.60 5.00 0.00 -1.97 -2.20 119.26 121.83 2xdn h ALA 56 Ca -0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2xdn h ALA 56 Cb 1.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2xdn h ALA 56 CO 0.07 0.63 0.18 0.93 0.00 0.00 0.00 179.25 181.06 2xdn h GLU 57 N 0.73 0.90 -0.36 0.00 5.08 -1.96 -0.24 114.58 118.75 2xdn h GLU 57 Ca 0.11 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2xdn h GLU 57 Cb 0.69 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2xdn h GLU 57 CO 0.05 0.78 0.13 1.25 -1.00 0.00 0.00 179.01 180.22 2xdn h LEU 58 N 0.88 0.51 -0.30 1.33 5.85 -1.43 -1.10 115.31 121.04 2xdn h LEU 58 Ca 0.20 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2xdn h LEU 58 Cb 0.26 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2xdn h LEU 58 CO -0.01 0.56 0.13 0.58 -0.34 0.00 0.00 178.44 179.36 2xdn h VAL 59 N 0.43 1.17 -0.49 1.05 2.07 -1.12 -2.42 116.25 116.94 2xdn h VAL 59 Ca 0.12 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.20 2xdn h VAL 59 Cb 0.22 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2xdn h VAL 59 CO -0.01 0.18 0.33 -0.61 0.02 0.00 0.00 177.57 177.48 2xdn h GLN 60 N 0.35 0.34 -0.19 1.57 5.75 -0.96 0.14 115.11 122.11 2xdn h GLN 60 Ca 0.10 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 2xdn h GLN 60 Cb 0.16 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 2xdn h GLN 60 CO -0.01 0.22 0.08 0.00 -2.65 0.00 0.00 178.83 176.48 2xdn h ALA 61 N 1.74 0.25 -0.39 3.38 0.00 -0.72 0.18 119.26 123.71 2xdn h ALA 61 Ca 0.22 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2xdn h ALA 61 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2xdn h ALA 61 CO -0.05 -0.17 0.12 -0.07 0.00 0.00 0.00 179.25 179.08 2xdn h LEU 62 N 0.16 0.57 -1.35 0.00 3.38 -1.00 -1.89 115.31 115.18 2xdn h LEU 62 Ca 0.06 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2xdn h LEU 62 Cb 0.15 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2xdn h LEU 62 CO -0.01 0.62 -0.10 -0.07 0.09 0.00 0.00 178.44 178.97 2xdn h LEU 63 N 0.48 0.29 -0.57 1.67 3.38 -0.91 -2.27 115.31 117.39 2xdn h LEU 63 Ca 0.13 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2xdn h LEU 63 Cb 0.25 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2xdn h LEU 63 CO -0.00 0.43 -0.02 0.44 0.09 0.00 0.00 178.44 179.38 2xdn h ASP 64 N 0.29 1.00 0.20 -0.43 3.32 -0.47 -3.24 116.42 117.09 2xdn h ASP 64 Ca 0.06 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.80 2xdn h ASP 64 Cb 0.37 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2xdn h ASP 64 CO 0.02 1.07 0.00 0.77 -1.72 0.00 0.00 179.24 179.38 2xdn h SER 65 N 0.90 0.00 0.25 6.45 4.64 -0.72 -2.38 113.55 122.68 2xdn h SER 65 Ca 0.16 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 2xdn h SER 65 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2xdn h SER 65 CO 0.03 0.00 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.48 2xdn h LEU 66 N 0.00 0.26 -0.56 5.97 3.38 -1.57 -3.26 115.31 119.53 2xdn h LEU 66 Ca 0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2xdn h LEU 66 Cb 0.10 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2xdn h LEU 66 CO 0.00 0.67 0.28 0.00 0.09 0.00 0.00 178.44 179.49 2xdn h ALA 67 N 1.34 0.72 -0.06 1.53 0.00 -1.62 -3.37 119.26 117.81 2xdn h ALA 67 Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2xdn h ALA 67 Cb 0.86 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2xdn h ALA 67 CO 0.07 0.27 -0.03 -0.85 0.00 0.00 0.00 179.25 178.70 2xdn n GLU 68 N -4.58 -0.02 -0.31 0.00 0.00 -1.23 -2.53 120.64 111.97 2xdn n GLU 68 Ca 0.03 0.92 0.18 0.00 0.00 0.00 0.00 57.16 58.29 2xdn n GLU 68 Cb 0.11 -1.38 0.43 0.00 0.00 0.00 0.00 31.44 30.60 2xdn n GLU 68 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 2xdn h THR 69 N 0.00 0.64 -0.16 3.84 2.02 -1.81 -2.13 112.91 115.30 2xdn h THR 69 Ca 0.01 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2xdn h THR 69 Cb 0.02 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 2xdn h THR 69 CO -0.05 0.10 0.00 1.41 0.37 0.00 0.00 175.52 177.35 2xdn n HIS 70 N -4.65 0.19 -0.10 3.16 8.25 -1.05 -4.58 115.22 116.44 2xdn n HIS 70 Ca 0.23 -0.10 -0.06 0.00 -0.26 0.00 0.00 57.72 57.54 2xdn n HIS 70 Cb 0.70 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.83 2xdn n HIS 70 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2xdn h ASP 71 N 3.60 -0.05 0.00 0.41 1.82 -1.28 0.01 116.42 120.93 2xdn h ASP 71 Ca 0.00 0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2xdn h ASP 71 Cb 0.78 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.89 2xdn h ASP 71 CO 0.00 0.01 -0.00 -0.74 -1.61 0.00 0.00 179.24 176.90 2xdn h HIS 72 N 0.15 -0.00 -0.63 0.28 2.76 -1.82 0.31 115.15 116.19 2xdn h HIS 72 Ca 0.17 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.36 2xdn h HIS 72 Cb 0.21 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 2xdn h HIS 72 CO -0.21 0.46 0.42 -0.07 -1.30 0.00 0.00 177.93 177.23 2xdn h LEU 73 N -0.47 0.67 -0.17 0.26 3.38 -1.87 -0.90 115.31 116.22 2xdn h LEU 73 Ca -0.00 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2xdn h LEU 73 Cb 0.47 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2xdn h LEU 73 CO 0.00 0.47 -0.51 0.00 0.09 0.00 0.00 178.44 178.49 2xdn h ALA 74 N 1.62 0.29 -0.81 1.53 0.00 -0.84 -2.70 119.26 118.35 2xdn h ALA 74 Ca 0.25 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2xdn h ALA 74 Cb 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2xdn h ALA 74 CO -0.06 0.47 0.38 0.07 0.00 0.00 0.00 179.25 180.10 2xdn h ARG 75 N 0.31 1.17 -0.27 0.00 -0.00 -0.15 -2.53 114.38 112.92 2xdn h ARG 75 Ca -0.02 -0.18 -0.07 0.00 -0.00 0.00 0.00 59.98 59.72 2xdn h ARG 75 Cb 1.13 -0.21 -0.02 0.00 -0.00 0.00 0.00 29.97 30.88 2xdn h ARG 75 CO 0.11 0.91 -0.12 0.00 -0.00 0.00 0.00 179.97 180.86 2xdn h ALA 76 N 1.25 1.30 0.00 0.08 0.00 -1.12 -2.11 119.26 118.66 2xdn h ALA 76 Ca 0.28 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2xdn h ALA 76 Cb 0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2xdn h ALA 76 CO -0.03 0.47 -0.35 0.66 0.00 0.00 0.00 179.25 179.99 2xdn h SER 77 N 0.41 0.00 0.84 0.00 4.64 -1.20 -2.83 113.55 115.42 2xdn h SER 77 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2xdn h SER 77 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2xdn h SER 77 CO 0.03 0.35 -0.25 -0.62 -0.87 0.00 0.00 176.83 175.47 2xdn n GLU 78 N -3.41 0.05 -2.35 4.77 1.02 -0.95 -3.92 120.64 115.86 2xdn n GLU 78 Ca 0.00 0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 2xdn n GLU 78 Cb 0.54 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 2xdn n GLU 78 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2xdn s SER 79 N -3.27 7.00 0.36 1.62 0.15 -0.84 -4.80 113.70 113.93 2xdn s SER 79 Ca 0.12 2.10 0.11 0.00 0.70 0.00 0.00 55.95 58.97 2xdn s SER 79 Cb 0.17 -2.58 0.70 0.00 -1.71 0.00 0.00 66.02 62.60 2xdn s SER 79 CO 0.62 -0.53 1.83 -0.08 1.20 0.00 0.00 173.24 176.28 2xdn h GLU 80 N 6.85 0.09 -0.01 5.44 4.81 -1.90 -2.74 114.58 127.12 2xdn h GLU 80 Ca -0.41 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2xdn h GLU 80 Cb 1.21 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2xdn h GLU 80 CO 0.83 0.41 -0.10 -0.25 -0.73 0.00 0.00 179.01 179.17 2xdn n ASP 81 N -4.13 0.86 -4.64 1.04 8.00 -1.26 -4.83 116.55 111.60 2xdn n ASP 81 Ca -0.02 -0.98 -0.43 0.00 0.71 0.00 0.00 54.79 54.08 2xdn n ASP 81 Cb 0.39 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.47 2xdn n ASP 81 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2xdn s GLU 82 N -2.28 3.90 0.51 -1.24 2.56 -1.04 -4.89 118.70 116.22 2xdn s GLU 82 Ca 0.33 1.60 0.21 0.00 0.00 0.00 0.00 54.97 57.11 2xdn s GLU 82 Cb 0.20 -3.96 1.34 0.00 2.00 0.00 0.00 34.13 33.71 2xdn s GLU 82 CO 0.43 -1.15 2.10 0.28 -0.56 0.00 0.00 175.26 176.36 2xdn h VAL 83 N 5.98 0.85 -2.08 3.70 2.07 -1.89 -3.34 116.25 121.55 2xdn h VAL 83 Ca -0.31 -0.32 -0.55 0.00 0.82 0.00 0.00 66.70 66.33 2xdn h VAL 83 Cb 1.14 1.19 -0.40 0.00 -1.52 0.00 0.00 31.29 31.69 2xdn h VAL 83 CO 1.00 0.09 -0.97 -0.67 0.02 0.00 0.00 177.57 177.04 2xdn n ASP 84 N -4.13 1.64 0.28 0.57 2.03 -1.26 -4.98 116.55 110.69 2xdn n ASP 84 Ca -0.03 -3.06 -0.16 0.00 0.52 0.00 0.00 54.79 52.07 2xdn n ASP 84 Cb 0.17 -0.63 -0.08 0.00 -0.72 0.00 0.00 41.12 39.86 2xdn n ASP 84 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2xdn h PRO 85 N 3.65 -0.63 -0.56 -0.67 0.14 -1.89 0.49 132.00 132.53 2xdn h PRO 85 Ca 0.11 0.04 0.07 0.00 0.14 0.00 0.00 66.00 66.36 2xdn h PRO 85 Cb 0.81 0.14 -0.06 0.00 0.14 0.00 0.00 31.00 32.03 2xdn h PRO 85 CO 0.59 -0.41 0.25 1.25 0.14 0.00 0.00 178.00 179.82 2xdn h LEU 86 N -0.67 0.31 -1.61 1.56 5.85 -1.91 0.53 115.31 119.38 2xdn h LEU 86 Ca -0.07 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2xdn h LEU 86 Cb 0.51 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2xdn h LEU 86 CO 0.11 0.20 0.08 1.23 -0.34 0.00 0.00 178.44 179.72 2xdn h GLY 87 N 0.47 0.35 0.99 3.75 0.00 -1.93 0.27 103.07 106.96 2xdn h GLY 87 Ca 0.27 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.31 2xdn h GLY 87 CO -0.23 0.15 -0.34 0.00 0.00 0.00 0.00 176.54 176.13 2xdn h MET 89 N 0.47 0.98 -0.19 0.00 -1.53 0.86 0.24 114.93 115.76 2xdn h MET 89 Ca 0.04 -0.21 -0.04 0.00 -3.44 0.00 0.00 59.70 56.05 2xdn h MET 89 Cb 0.92 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 31.82 2xdn h MET 89 CO 0.08 0.86 -0.04 -0.09 0.14 0.00 0.00 176.91 177.87 2xdn h ARG 90 N 0.94 0.36 -0.52 0.39 2.43 -0.50 -1.23 114.38 116.26 2xdn h ARG 90 Ca 0.20 -0.13 0.07 0.00 -0.81 0.00 0.00 59.98 59.31 2xdn h ARG 90 Cb 0.31 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 2xdn h ARG 90 CO -0.00 0.61 0.35 0.87 -1.51 0.00 0.00 179.97 180.29 2xdn h LYS 91 N 0.09 0.42 0.36 0.20 1.57 -0.71 -2.14 116.57 116.36 2xdn h LYS 91 Ca 0.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2xdn h LYS 91 Cb 0.47 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2xdn h LYS 91 CO 0.02 0.28 -0.17 1.25 -0.57 0.00 0.00 179.45 180.25 2xdn h LEU 92 N 0.43 -0.41 -0.53 2.94 6.46 -0.47 -2.14 115.31 121.60 2xdn h LEU 92 Ca 0.23 -0.15 0.09 0.00 -0.12 0.00 0.00 57.88 57.94 2xdn h LEU 92 Cb 0.35 0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 40.31 2xdn h LEU 92 CO -0.06 0.01 0.10 -0.07 -0.62 0.00 0.00 178.44 177.80 2xdn h LEU 93 N -0.93 -0.01 -0.53 2.25 3.38 -1.08 0.49 115.31 118.88 2xdn h LEU 93 Ca -0.05 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.10 2xdn h LEU 93 Cb 0.53 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.32 2xdn h LEU 93 CO 0.08 0.02 -0.44 -0.07 0.09 0.00 0.00 178.44 178.12 2xdn h LEU 94 N 0.24 -1.48 -0.98 1.67 4.07 -1.47 0.63 115.31 117.98 2xdn h LEU 94 Ca 0.27 0.24 -0.05 0.00 0.08 0.00 0.00 57.88 58.42 2xdn h LEU 94 Cb 0.38 0.67 -0.03 0.00 1.08 0.00 0.00 40.66 42.75 2xdn h LEU 94 CO -0.36 -0.35 0.20 -0.61 -1.08 0.00 0.00 178.44 176.25 2xdn h GLN 95 N -0.26 0.94 -0.13 1.13 4.15 -0.02 0.33 115.11 121.24 2xdn h GLN 95 Ca 0.16 -0.18 0.03 0.00 0.77 0.00 0.00 58.65 59.44 2xdn h GLN 95 Cb 0.57 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 2xdn h GLN 95 CO -0.65 0.80 -0.06 0.28 -1.93 0.00 0.00 178.83 177.27 2xdn h VAL 96 N 0.91 0.80 -0.28 2.39 2.07 0.25 -0.52 116.25 121.86 2xdn h VAL 96 Ca 0.20 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.56 2xdn h VAL 96 Cb 0.25 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2xdn h VAL 96 CO -0.01 0.00 -0.48 -0.26 0.02 0.00 0.00 177.57 176.84 2xdn h PHE 97 N -0.05 0.92 0.09 1.57 0.04 -0.14 -0.05 116.94 119.32 2xdn h PHE 97 Ca 0.07 -0.30 0.01 0.00 2.80 0.00 0.00 57.97 60.55 2xdn h PHE 97 Cb 0.16 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 2xdn h PHE 97 CO -0.20 1.08 -0.12 -0.91 -0.60 0.00 0.00 178.31 177.57 2xdn h ASN 98 N 0.59 -0.33 -0.53 2.17 2.35 -0.30 -2.18 115.58 117.35 2xdn h ASN 98 Ca 0.03 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 2xdn h ASN 98 Cb 1.05 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.52 2xdn h ASN 98 CO 0.10 -0.18 0.15 -0.08 -1.65 0.00 0.00 177.43 175.77 2xdn h GLU 99 N -0.25 0.84 -0.50 0.81 4.81 -1.01 0.25 114.58 119.53 2xdn h GLU 99 Ca 0.01 -0.19 0.10 0.00 -0.13 0.00 0.00 59.36 59.15 2xdn h GLU 99 Cb 0.26 -0.12 -0.09 0.00 0.63 0.00 0.00 28.75 29.43 2xdn h GLU 99 CO -0.06 0.79 -0.11 1.25 -0.73 0.00 0.00 179.01 180.15 2xdn h LEU 100 N 0.74 -0.43 0.07 1.64 6.46 -0.92 0.25 115.31 123.12 2xdn h LEU 100 Ca 0.17 0.15 -0.17 0.00 -0.12 0.00 0.00 57.88 57.91 2xdn h LEU 100 Cb 0.31 0.30 0.02 0.00 -0.73 0.00 0.00 40.66 40.55 2xdn h LEU 100 CO -0.00 -0.15 -0.69 0.58 -0.62 0.00 0.00 178.44 177.55 2xdn h VAL 101 N 0.02 1.47 0.15 1.05 2.07 -1.18 -3.35 116.25 116.48 2xdn h VAL 101 Ca 0.24 -2.29 -0.01 0.00 0.82 0.00 0.00 66.70 65.46 2xdn h VAL 101 Cb 0.37 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2xdn h VAL 101 CO -0.50 0.66 -0.07 -0.07 0.02 0.00 0.00 177.57 177.60 2xdn h LEU 102 N -0.24 -0.17 -9.00 2.57 3.38 -0.43 -3.45 115.31 107.97 2xdn h LEU 102 Ca -0.11 -0.36 -0.57 0.00 0.09 0.00 0.00 57.88 56.93 2xdn h LEU 102 Cb 1.46 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.21 2xdn h LEU 102 CO 0.13 0.41 0.97 -0.62 0.09 0.00 0.00 178.44 179.42 2xdn s ASP 103 N -5.51 6.69 0.13 -0.43 2.15 0.86 -4.93 116.67 115.63 2xdn s ASP 103 Ca -0.12 1.33 -0.21 0.00 0.43 0.00 0.00 52.55 53.98 2xdn s ASP 103 Cb 0.00 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.06 2xdn s ASP 103 CO 0.45 -1.04 1.69 0.00 -0.17 0.00 0.00 175.17 176.10 2xdn h ALA 104 N 9.24 0.06 -0.10 3.66 0.00 -1.88 -1.57 119.26 128.67 2xdn h ALA 104 Ca -0.27 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2xdn h ALA 104 Cb 1.10 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 2xdn h ALA 104 CO 1.02 -0.53 -0.39 -0.09 0.00 0.00 0.00 179.25 179.27 2xdn h ARG 105 N -0.08 -0.46 -0.46 0.00 9.65 -1.94 0.19 114.38 121.28 2xdn h ARG 105 Ca 0.10 0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.99 2xdn h ARG 105 Cb 0.23 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 2xdn h ARG 105 CO -0.23 -0.31 0.19 1.15 2.80 0.00 0.00 179.97 183.57 2xdn h THR 106 N -0.48 1.17 0.15 0.20 2.02 -1.82 -0.40 112.91 113.75 2xdn h THR 106 Ca 0.08 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 2xdn h THR 106 Cb 0.61 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2xdn h THR 106 CO -0.37 0.21 -0.07 -0.09 0.37 0.00 0.00 175.52 175.57 2xdn h ARG 107 N 0.65 -0.20 -0.99 6.66 2.43 -0.75 -1.57 114.38 120.61 2xdn h ARG 107 Ca 0.16 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.50 2xdn h ARG 107 Cb 0.12 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 29.62 2xdn h ARG 107 CO -0.02 0.22 0.62 0.00 -1.51 0.00 0.00 179.97 179.28 2xdn h ARG 108 N -0.70 0.81 -0.13 0.20 3.08 -0.81 0.26 114.38 117.09 2xdn h ARG 108 Ca -0.02 -0.05 -0.23 0.00 0.07 0.00 0.00 59.98 59.75 2xdn h ARG 108 Cb 0.50 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.38 2xdn h ARG 108 CO 0.03 0.54 -0.82 0.82 -1.07 0.00 0.00 179.97 179.47 2xdn h ILE 109 N 0.84 1.28 -0.49 2.04 2.04 -1.06 -0.37 117.51 121.79 2xdn h ILE 109 Ca 0.53 -2.02 -0.09 0.00 1.00 0.00 0.00 64.86 64.28 2xdn h ILE 109 Cb 0.73 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 2xdn h ILE 109 CO -0.31 0.64 -0.05 0.78 0.00 0.00 0.00 178.15 179.21 2xdn h ASN 110 N 0.51 0.82 -0.09 1.72 4.21 -0.61 -0.80 115.58 121.34 2xdn h ASN 110 Ca -0.06 -0.23 -0.00 0.00 1.21 0.00 0.00 56.30 57.22 2xdn h ASN 110 Cb 1.45 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 38.42 2xdn h ASN 110 CO 0.17 0.91 0.04 -0.08 -1.29 0.00 0.00 177.43 177.18 2xdn h GLU 111 N 0.77 0.13 -0.33 0.81 4.57 -0.39 0.11 114.58 120.25 2xdn h GLU 111 Ca 0.14 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.36 2xdn h GLU 111 Cb 0.53 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.04 2xdn h GLU 111 CO 0.03 0.21 -0.02 0.82 -1.18 0.00 0.00 179.01 178.87 2xdn h ILE 112 N 0.02 0.73 -0.20 2.32 2.04 -1.00 -0.68 117.51 120.74 2xdn h ILE 112 Ca 0.03 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2xdn h ILE 112 Cb 0.12 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2xdn h ILE 112 CO -0.00 0.01 0.01 -0.07 0.00 0.00 0.00 178.15 178.10 2xdn h LEU 113 N 0.07 0.26 0.04 1.44 -0.00 -0.78 -0.34 115.31 116.00 2xdn h LEU 113 Ca 0.16 -0.03 -0.37 0.00 -0.00 0.00 0.00 57.88 57.64 2xdn h LEU 113 Cb 0.23 -0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 40.77 2xdn h LEU 113 CO -0.29 0.30 -2.25 1.41 -0.00 0.00 0.00 178.44 177.61 2xdn n HIS 114 N -4.39 0.51 -0.30 1.13 8.25 0.34 -4.60 115.22 116.16 2xdn n HIS 114 Ca -0.00 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2xdn n HIS 114 Cb 0.17 -1.07 0.00 0.00 1.12 0.00 0.00 29.99 30.21 2xdn n HIS 114 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2xdn n HIS 115 N -3.28 0.00 -1.36 4.41 8.25 -0.28 -4.77 115.22 118.20 2xdn n HIS 115 Ca -0.38 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 56.74 2xdn n HIS 115 Cb 1.03 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 32.11 2xdn n HIS 115 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2xdn n LYS 116 N -0.34 0.00 -3.80 -0.41 5.02 -0.23 -4.96 118.16 113.45 2xdn n LYS 116 Ca 0.00 -0.40 -0.30 0.00 -2.02 0.00 0.00 58.31 55.59 2xdn n LYS 116 Cb 0.32 -0.36 -0.15 0.00 -0.02 0.00 0.00 35.03 34.81 2xdn n LYS 116 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2xdn s GLU 118 N 1.46 4.59 -1.05 0.00 2.02 -1.26 -4.94 118.70 119.52 2xdn s GLU 118 Ca 0.10 1.72 -0.20 0.00 0.02 0.00 0.00 54.97 56.62 2xdn s GLU 118 Cb -0.18 -3.28 0.10 0.00 0.10 0.00 0.00 34.13 30.87 2xdn s GLU 118 CO -0.22 0.07 1.38 -0.06 0.02 0.00 0.00 175.26 176.45 2xdn s PHE 119 N -0.22 2.89 0.01 1.61 2.99 -1.26 -4.88 117.98 119.12 2xdn s PHE 119 Ca 0.50 -1.30 -0.01 0.00 0.00 0.00 0.00 56.93 56.11 2xdn s PHE 119 Cb -0.29 -4.52 -0.04 0.00 0.00 0.00 0.00 43.02 38.17 2xdn s PHE 119 CO 0.35 -1.70 0.17 0.95 -0.00 0.00 0.00 175.22 174.99 2xdn s THR 120 N 3.67 5.28 0.65 0.64 -4.23 -1.26 -4.97 115.64 115.42 2xdn s THR 120 Ca 0.42 -0.28 0.37 0.00 -1.18 0.00 0.00 61.69 61.02 2xdn s THR 120 Cb -0.01 -3.49 0.39 0.00 1.34 0.00 0.00 72.50 70.72 2xdn s THR 120 CO -0.06 0.27 2.21 0.44 -0.54 0.00 0.00 174.62 176.94 2xdn h ASP 121 N 3.64 0.00 -0.31 3.99 3.32 -1.96 0.12 116.42 125.22 2xdn h ASP 121 Ca -0.48 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.66 2xdn h ASP 121 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 2xdn h ASP 121 CO 0.70 0.00 0.23 -0.78 -1.72 0.00 0.00 179.24 177.66 2xdn h ASP 122 N 0.00 0.00 -1.05 6.45 3.58 -1.99 -3.30 116.42 120.11 2xdn h ASP 122 Ca 0.01 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.10 2xdn h ASP 122 Cb 0.24 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 40.99 2xdn h ASP 122 CO -0.00 0.00 -0.89 0.80 -2.88 0.00 0.00 179.24 176.27 2xdn n MET 123 N -4.40 1.03 0.24 0.28 1.56 0.40 -5.00 117.12 111.25 2xdn n MET 123 Ca 0.04 -2.77 0.15 0.00 -0.27 0.00 0.00 57.70 54.85 2xdn n MET 123 Cb 0.39 -1.27 0.64 0.00 2.15 0.00 0.00 33.22 35.13 2xdn n MET 123 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2xdn h GLU 125 N 0.00 0.00 0.68 0.00 9.09 -1.94 -2.40 114.58 120.01 2xdn h GLU 125 Ca 0.08 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.45 2xdn h GLU 125 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.25 2xdn h GLU 125 CO -0.00 0.05 -0.35 0.82 0.05 0.00 0.00 179.01 179.58 2xdn h ILE 126 N 0.00 0.00 -0.44 -1.06 2.04 -1.78 -1.23 117.51 115.04 2xdn h ILE 126 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 2xdn h ILE 126 Cb 0.84 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 2xdn h ILE 126 CO 0.01 0.00 0.10 -0.09 0.00 0.00 0.00 178.15 178.16 2xdn h ARG 127 N -0.94 0.23 -0.73 2.37 2.43 -1.77 -1.69 114.38 114.28 2xdn h ARG 127 Ca -0.09 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.07 2xdn h ARG 127 Cb 0.73 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 2xdn h ARG 127 CO 0.13 0.15 0.48 0.37 -1.51 0.00 0.00 179.97 179.60 2xdn h GLN 128 N 0.23 0.95 -0.06 0.20 4.15 -1.41 0.64 115.11 119.82 2xdn h GLN 128 Ca 0.21 -0.06 -0.17 0.00 0.77 0.00 0.00 58.65 59.41 2xdn h GLN 128 Cb 0.26 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 2xdn h GLN 128 CO -0.27 0.63 -0.68 1.96 -1.93 0.00 0.00 178.83 178.54 2xdn h GLN 129 N 0.98 0.29 -0.55 1.69 4.20 -1.10 -2.46 115.11 118.16 2xdn h GLN 129 Ca 0.27 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 2xdn h GLN 129 Cb -0.10 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2xdn h GLN 129 CO -0.06 0.86 0.24 -0.09 -0.67 0.00 0.00 178.83 179.11 2xdn h ARG 130 N 0.20 0.80 -0.97 1.46 9.65 -0.54 -1.38 114.38 123.60 2xdn h ARG 130 Ca -0.02 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 2xdn h ARG 130 Cb 1.23 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 29.63 2xdn h ARG 130 CO 0.11 0.68 0.62 1.96 2.80 0.00 0.00 179.97 186.14 2xdn h GLN 131 N 0.74 1.29 -0.36 0.20 4.20 -0.79 -1.74 115.11 118.65 2xdn h GLN 131 Ca 0.19 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2xdn h GLN 131 Cb 0.16 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2xdn h GLN 131 CO -0.02 0.88 0.18 1.03 -0.67 0.00 0.00 178.83 180.23 2xdn h SER 132 N 1.32 0.47 0.51 1.46 0.87 -1.14 -0.26 113.55 116.79 2xdn h SER 132 Ca 0.35 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.73 2xdn h SER 132 Cb -0.11 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 2xdn h SER 132 CO -0.07 0.45 -0.31 0.00 -0.53 0.00 0.00 176.83 176.37 2xdn h ALA 133 N 1.04 1.24 0.20 6.23 0.00 -0.92 -0.53 119.26 126.52 2xdn h ALA 133 Ca 0.13 -0.28 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 2xdn h ALA 133 Cb 0.10 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.86 2xdn h ALA 133 CO -0.02 0.39 -1.44 0.28 0.00 0.00 0.00 179.25 178.46 2xdn h VAL 134 N 0.00 1.18 -0.82 0.00 2.07 -1.03 0.60 116.25 118.26 2xdn h VAL 134 Ca -0.00 -2.57 -0.01 0.00 0.82 0.00 0.00 66.70 64.94 2xdn h VAL 134 Cb 0.65 2.95 -0.04 0.00 -1.52 0.00 0.00 31.29 33.32 2xdn h VAL 134 CO 0.04 0.79 0.48 -0.07 0.02 0.00 0.00 177.57 178.83 2xdn h LEU 135 N -0.02 0.99 -0.29 2.57 3.38 -1.03 0.17 115.31 121.08 2xdn h LEU 135 Ca -0.27 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.48 2xdn h LEU 135 Cb 2.00 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.50 2xdn h LEU 135 CO 0.20 0.78 -0.40 0.44 0.09 0.00 0.00 178.44 179.54 2xdn h ASP 136 N 1.13 0.85 0.18 -0.43 5.19 -1.13 -1.93 116.42 120.28 2xdn h ASP 136 Ca 0.29 -0.51 0.01 0.00 -0.62 0.00 0.00 57.03 56.21 2xdn h ASP 136 Cb -0.02 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.22 2xdn h ASP 136 CO -0.05 1.19 -0.27 0.00 -3.12 0.00 0.00 179.24 176.98 2xdn h HIS 138 N -0.52 0.43 -0.15 0.00 -0.00 -0.59 -1.83 115.15 112.49 2xdn h HIS 138 Ca 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2xdn h HIS 138 Cb 0.52 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.79 2xdn h HIS 138 CO -0.22 0.06 0.10 -0.22 -0.00 0.00 0.00 177.93 177.64 2xdn h LYS 139 N 0.27 0.20 0.23 5.26 3.64 -0.75 -2.03 116.57 123.40 2xdn h LYS 139 Ca 0.55 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.90 2xdn h LYS 139 Cb 1.62 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 2xdn h LYS 139 CO -0.19 0.16 -0.11 0.78 -2.27 0.00 0.00 179.45 177.82 2xdn h GLY 140 N 0.19 -0.32 -0.53 5.01 0.00 -1.30 -2.78 103.07 103.34 2xdn h GLY 140 Ca 0.06 0.12 0.14 0.00 0.00 0.00 0.00 47.33 47.65 2xdn h GLY 140 CO -0.01 -0.12 -0.23 -2.22 0.00 0.00 0.00 176.54 173.96 2xdn h ILE 141 N -0.80 0.21 -0.75 2.60 2.04 -1.48 0.95 117.51 120.28 2xdn h ILE 141 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2xdn h ILE 141 Cb 0.51 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 2xdn h ILE 141 CO 0.05 0.00 0.50 0.74 0.00 0.00 0.00 178.15 179.44 2xdn h THR 142 N -0.03 1.16 0.61 -0.27 2.02 -1.40 0.26 112.91 115.25 2xdn h THR 142 Ca 0.34 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 2xdn h THR 142 Cb 0.56 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2xdn h THR 142 CO -0.78 0.18 -0.29 -0.07 0.37 0.00 0.00 175.52 174.93 2xdn h LEU 143 N 0.97 -0.70 -1.58 2.58 3.38 0.13 0.36 115.31 120.45 2xdn h LEU 143 Ca 0.29 -0.02 0.30 0.00 0.09 0.00 0.00 57.88 58.54 2xdn h LEU 143 Cb -0.04 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 2xdn h LEU 143 CO -0.07 -0.41 0.74 0.00 0.09 0.00 0.00 178.44 178.79 2xdn h ALA 144 N -0.65 2.57 0.21 1.53 0.00 0.13 0.75 119.26 123.80 2xdn h ALA 144 Ca -0.08 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2xdn h ALA 144 Cb 0.67 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2xdn h ALA 144 CO 0.14 -0.96 -0.10 -0.07 0.00 0.00 0.00 179.25 178.25 2xdn h LEU 145 N 0.24 -0.24 -1.05 0.00 3.38 -0.26 -2.26 115.31 115.12 2xdn h LEU 145 Ca 0.60 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.80 2xdn h LEU 145 Cb 1.83 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 42.53 2xdn h LEU 145 CO -0.21 0.13 0.61 0.00 0.09 0.00 0.00 178.44 179.06 2xdn h ALA 146 N -1.27 1.80 0.13 1.53 0.00 -0.53 0.50 119.26 121.43 2xdn h ALA 146 Ca -0.03 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2xdn h ALA 146 Cb 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2xdn h ALA 146 CO 0.05 -0.24 -0.17 -0.91 0.00 0.00 0.00 179.25 177.99 2xdn h ASN 147 N 0.62 -0.47 -0.87 0.00 4.21 -0.96 -1.45 115.58 116.65 2xdn h ASN 147 Ca 0.62 0.04 0.23 0.00 1.21 0.00 0.00 56.30 58.40 2xdn h ASN 147 Cb 1.14 0.16 -0.14 0.00 -1.12 0.00 0.00 38.32 38.36 2xdn h ASN 147 CO -0.42 -0.21 0.19 0.00 -1.29 0.00 0.00 177.43 175.71 2xdn h ALA 148 N -1.41 1.22 -0.18 -0.83 0.00 -0.39 0.21 119.26 117.88 2xdn h ALA 148 Ca -0.02 0.24 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 2xdn h ALA 148 Cb 0.28 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2xdn h ALA 148 CO -0.04 -0.48 -0.37 -0.24 0.00 0.00 0.00 179.25 178.13 2xdn h VAL 149 N 0.17 1.29 0.00 0.00 3.04 -0.87 0.38 116.25 120.27 2xdn h VAL 149 Ca 0.54 -1.46 -0.05 0.00 -1.01 0.00 0.00 66.70 64.72 2xdn h VAL 149 Cb 1.09 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.93 2xdn h VAL 149 CO -0.68 0.45 -0.26 0.03 -1.01 0.00 0.00 177.57 176.10 2xdn h ARG 150 N 0.32 0.00 -0.92 4.17 3.08 0.13 -2.20 114.38 118.96 2xdn h ARG 150 Ca 0.03 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 2xdn h ARG 150 Cb 0.80 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.76 2xdn h ARG 150 CO 0.06 0.26 0.18 0.54 -1.07 0.00 0.00 179.97 179.95 2xdn n ARG 151 N -3.45 2.09 -4.29 0.04 1.74 -0.73 -4.87 116.66 107.19 2xdn n ARG 151 Ca -0.00 -1.42 -0.34 0.00 -0.77 0.00 0.00 57.85 55.32 2xdn n ARG 151 Cb 0.44 -1.67 -0.07 0.00 -1.02 0.00 0.00 32.46 30.14 2xdn n ARG 151 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xdn n GLY 152 N -0.04 -0.26 0.01 -0.13 0.00 -0.83 -4.85 105.19 99.09 2xdn n GLY 152 Ca 0.22 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.45 2xdn n GLY 152 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2xdn n GLN 153 N -4.39 0.77 -4.38 1.61 6.02 0.07 -5.01 117.38 112.06 2xdn n GLN 153 Ca -0.16 -0.11 -0.22 0.00 -0.01 0.00 0.00 57.00 56.51 2xdn n GLN 153 Cb 0.61 -1.30 -0.08 0.00 1.02 0.00 0.00 30.24 30.48 2xdn n GLN 153 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2xdn s LEU 154 N -3.76 1.82 0.34 1.08 1.43 -1.24 -4.91 118.68 113.45 2xdn s LEU 154 Ca -0.03 -1.70 -0.28 0.00 -1.03 0.00 0.00 54.13 51.08 2xdn s LEU 154 Cb 0.09 0.25 -0.10 0.00 0.03 0.00 0.00 46.19 46.46 2xdn s LEU 154 CO 0.59 -0.99 1.33 -2.84 0.23 0.00 0.00 176.35 174.67 2xdn s PRO 155 N -3.61 4.29 0.45 1.29 0.02 -1.26 -4.72 135.00 131.45 2xdn s PRO 155 Ca 0.33 2.27 0.13 0.00 0.02 0.00 0.00 61.00 63.74 2xdn s PRO 155 Cb 0.03 -3.03 1.00 0.00 0.02 0.00 0.00 34.50 32.51 2xdn s PRO 155 CO 0.21 -0.26 2.02 0.78 -0.33 0.00 0.00 177.00 179.41 2xdn h GLY 156 N 3.26 0.13 -3.67 0.52 0.00 -1.99 -2.23 103.07 99.09 2xdn h GLY 156 Ca -0.49 -0.06 -0.23 0.00 0.00 0.00 0.00 47.33 46.54 2xdn h GLY 156 CO 0.65 0.06 0.29 -2.21 0.00 0.00 0.00 176.54 175.33 2xdn n GLU 157 N -4.38 3.64 -2.18 4.80 4.07 -1.26 -4.97 120.64 120.35 2xdn n GLU 157 Ca -0.02 -3.10 -0.42 0.00 -0.06 0.00 0.00 57.16 53.57 2xdn n GLU 157 Cb 0.19 -2.21 -0.03 0.00 -0.06 0.00 0.00 31.44 29.33 2xdn n GLU 157 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2xdn s LEU 158 N -3.02 4.37 -0.71 4.31 2.96 -0.84 0.24 118.68 125.99 2xdn s LEU 158 Ca 0.55 2.31 -0.27 0.00 -0.22 0.00 0.00 54.13 56.51 2xdn s LEU 158 Cb 0.44 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.56 2xdn s LEU 158 CO 0.13 -0.64 1.46 -0.62 -1.32 0.00 0.00 176.35 175.36 2xdn s ASP 159 N 1.09 5.89 0.38 3.68 -1.08 -0.59 -4.76 116.67 121.28 2xdn s ASP 159 Ca 0.64 -0.25 0.14 0.00 -0.52 0.00 0.00 52.55 52.56 2xdn s ASP 159 Cb -0.36 -2.55 0.76 0.00 -1.46 0.00 0.00 42.92 39.30 2xdn s ASP 159 CO 0.30 -2.00 1.83 0.00 0.52 0.00 0.00 175.17 175.83 2xdn h ALA 160 N 11.49 1.36 0.48 3.66 0.00 -1.92 0.11 119.26 134.44 2xdn h ALA 160 Ca -0.26 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 2xdn h ALA 160 Cb 1.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2xdn h ALA 160 CO 1.27 0.45 -0.23 0.93 0.00 0.00 0.00 179.25 181.66 2xdn h GLU 161 N 0.00 -0.62 -0.26 0.00 4.39 -1.92 -2.00 114.58 114.17 2xdn h GLU 161 Ca -0.00 0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.58 2xdn h GLU 161 Cb 0.65 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 2xdn h GLU 161 CO 0.05 -0.32 -0.47 0.00 -1.16 0.00 0.00 179.01 177.10 2xdn h ARG 162 N -0.87 0.69 -0.89 2.33 3.08 -1.90 -2.46 114.38 114.37 2xdn h ARG 162 Ca -0.07 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 2xdn h ARG 162 Cb 0.58 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 2xdn h ARG 162 CO 0.11 1.01 0.53 0.00 -1.07 0.00 0.00 179.97 180.55 2xdn h ALA 163 N 0.92 1.26 -0.40 0.04 0.00 -0.85 0.30 119.26 120.53 2xdn h ALA 163 Ca 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2xdn h ALA 163 Cb 1.02 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2xdn h ALA 163 CO 0.10 0.63 0.08 0.00 0.00 0.00 0.00 179.25 180.05 2xdn h ALA 164 N 1.36 0.53 -0.20 0.00 0.00 -1.02 0.36 119.26 120.29 2xdn h ALA 164 Ca 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2xdn h ALA 164 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2xdn h ALA 164 CO -0.06 0.22 0.08 0.28 0.00 0.00 0.00 179.25 179.78 2xdn h VAL 165 N 0.50 1.16 -0.27 0.00 2.07 -1.16 0.26 116.25 118.81 2xdn h VAL 165 Ca 0.12 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.22 2xdn h VAL 165 Cb 0.34 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2xdn h VAL 165 CO 0.00 0.15 -0.03 0.00 0.02 0.00 0.00 177.57 177.72 2xdn h ALA 166 N 0.93 0.21 -0.89 1.67 0.00 0.02 0.14 119.26 121.35 2xdn h ALA 166 Ca 0.07 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2xdn h ALA 166 Cb 0.16 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2xdn h ALA 166 CO -0.01 -0.44 0.50 1.98 0.00 0.00 0.00 179.25 181.28 2xdn h MET 167 N 0.04 1.23 -0.34 0.00 -1.53 -0.17 -2.29 114.93 111.86 2xdn h MET 167 Ca 0.13 -0.14 -0.05 0.00 -3.44 0.00 0.00 59.70 56.21 2xdn h MET 167 Cb 0.19 -0.24 -0.01 0.00 -0.55 0.00 0.00 31.60 30.98 2xdn h MET 167 CO -0.25 0.89 0.03 0.35 0.14 0.00 0.00 176.91 178.07 2xdn h PHE 168 N 1.23 0.63 -0.18 1.39 3.57 0.10 -1.52 116.94 122.16 2xdn h PHE 168 Ca 0.31 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.75 2xdn h PHE 168 Cb 0.01 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 2xdn h PHE 168 CO 0.01 0.68 -0.04 0.00 -2.23 0.00 0.00 178.31 176.72 2xdn h ALA 169 N 0.88 0.13 0.11 2.41 0.00 -0.69 0.27 119.26 122.36 2xdn h ALA 169 Ca 0.10 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2xdn h ALA 169 Cb 0.41 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2xdn h ALA 169 CO 0.01 -0.47 -0.13 -0.92 0.00 0.00 0.00 179.25 177.74 2xdn h TYR 170 N 0.01 -0.34 -0.03 0.00 3.20 -1.18 0.65 116.97 119.29 2xdn h TYR 170 Ca 0.09 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2xdn h TYR 170 Cb 0.13 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 2xdn h TYR 170 CO -0.20 -0.20 0.01 0.28 -1.64 0.00 0.00 178.16 176.41 2xdn h VAL 171 N -0.28 1.12 -0.28 1.81 2.07 -1.18 0.14 116.25 119.65 2xdn h VAL 171 Ca 0.01 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.23 2xdn h VAL 171 Cb 0.28 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 2xdn h VAL 171 CO -0.05 0.09 0.03 -0.78 0.02 0.00 0.00 177.57 176.88 2xdn h ASP 172 N -0.10 -0.05 -0.04 0.57 3.58 -0.26 0.26 116.42 120.38 2xdn h ASP 172 Ca 0.01 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 2xdn h ASP 172 Cb 0.14 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 2xdn h ASP 172 CO -0.00 0.01 0.02 1.23 -2.88 0.00 0.00 179.24 177.61 2xdn h GLY 173 N 0.12 0.06 0.41 -0.78 0.00 0.41 -1.61 103.07 101.67 2xdn h GLY 173 Ca 0.13 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.48 2xdn h GLY 173 CO -0.20 0.03 -0.15 -2.00 0.00 0.00 0.00 176.54 174.21 2xdn h LEU 174 N -0.08 -0.49 -0.57 3.11 5.85 -0.35 0.83 115.31 123.62 2xdn h LEU 174 Ca 0.01 0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.94 2xdn h LEU 174 Cb 0.14 0.24 -0.10 0.00 0.37 0.00 0.00 40.66 41.31 2xdn h LEU 174 CO -0.00 -0.20 -0.01 0.40 -0.34 0.00 0.00 178.44 178.29 2xdn h ILE 175 N -0.17 0.53 -0.04 4.05 2.04 -0.35 0.14 117.51 123.71 2xdn h ILE 175 Ca 0.11 -0.04 -0.09 0.00 1.00 0.00 0.00 64.86 65.84 2xdn h ILE 175 Cb 0.33 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2xdn h ILE 175 CO -0.27 0.02 -0.39 -0.09 0.00 0.00 0.00 178.15 177.41 2xdn h ARG 176 N 0.11 0.08 -0.09 2.37 2.43 -0.39 -0.47 114.38 118.41 2xdn h ARG 176 Ca 0.29 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.23 2xdn h ARG 176 Cb 0.46 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2xdn h ARG 176 CO -0.49 0.46 -0.76 -0.09 -1.51 0.00 0.00 179.97 177.58 2xdn h ARG 177 N 0.07 0.52 -0.48 0.20 9.65 -0.11 -1.50 114.38 122.73 2xdn h ARG 177 Ca 0.00 -0.44 -0.02 0.00 -1.10 0.00 0.00 59.98 58.43 2xdn h ARG 177 Cb 0.73 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.38 2xdn h ARG 177 CO 0.05 1.07 0.22 2.35 2.80 0.00 0.00 179.97 186.46 2xdn h TRP 178 N 0.35 0.70 -0.57 2.20 7.01 -0.09 0.37 115.95 125.92 2xdn h TRP 178 Ca -0.04 -0.04 -0.08 0.00 2.11 0.00 0.00 58.89 60.84 2xdn h TRP 178 Cb 1.36 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 28.18 2xdn h TRP 178 CO 0.06 0.56 0.03 -0.07 -2.79 0.00 0.00 178.44 176.23 2xdn h LEU 179 N 0.63 0.92 -0.01 0.65 3.38 -1.00 -2.15 115.31 117.74 2xdn h LEU 179 Ca 0.16 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2xdn h LEU 179 Cb 0.13 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2xdn h LEU 179 CO -0.02 0.96 -0.03 0.25 0.09 0.00 0.00 178.44 179.69 2xdn h LEU 180 N 0.89 0.04 -6.21 1.67 5.85 -1.14 -3.41 115.31 112.99 2xdn h LEU 180 Ca 0.17 -0.65 -0.58 0.00 0.84 0.00 0.00 57.88 57.66 2xdn h LEU 180 Cb 0.48 -0.01 -0.40 0.00 0.37 0.00 0.00 40.66 41.09 2xdn h LEU 180 CO 0.02 0.68 -0.84 0.18 -0.34 0.00 0.00 178.44 178.13 2xdn n LEU 181 N -4.75 1.77 -0.14 2.25 4.77 0.13 -5.00 117.00 116.04 2xdn n LEU 181 Ca -0.09 -5.00 -0.04 0.00 -0.03 0.00 0.00 56.01 50.85 2xdn n LEU 181 Cb 0.34 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.44 2xdn n LEU 181 CO 0.34 2.02 0.76 -0.65 -1.33 0.00 0.00 177.39 178.53 2xdn h PRO 182 N 4.36 -0.02 -6.11 3.23 0.11 -1.57 -3.36 132.00 128.64 2xdn h PRO 182 Ca 0.15 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.66 2xdn h PRO 182 Cb 0.79 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.80 2xdn h PRO 182 CO 0.62 -0.01 0.58 -0.51 -0.21 0.00 0.00 178.00 178.47 2xdn s ASP 183 N -5.21 6.58 0.00 -2.05 1.01 -1.26 -2.64 116.67 113.10 2xdn s ASP 183 Ca -0.14 0.34 0.00 0.00 0.71 0.00 0.00 52.55 53.46 2xdn s ASP 183 Cb 0.16 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.63 2xdn s ASP 183 CO 0.71 -0.95 0.00 -1.20 0.21 0.00 0.00 175.17 173.95 2xdn n SER 184 N 6.95 0.00 -2.92 0.27 7.64 -1.26 -5.00 113.62 119.31 2xdn n SER 184 Ca 0.06 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.80 2xdn n SER 184 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2xdn n SER 184 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2xdn n VAL 185 N 0.00 -0.26 -1.48 0.44 0.31 -1.08 -5.04 118.33 111.22 2xdn n VAL 185 Ca 0.00 -2.51 -0.12 0.00 -0.01 0.00 0.00 64.34 61.69 2xdn n VAL 185 Cb 0.00 0.17 -0.10 0.00 -0.91 0.00 0.00 33.84 33.00 2xdn n VAL 185 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2xdn n ASP 186 N 1.48 0.67 0.12 4.52 2.03 -1.26 -4.51 116.55 119.60 2xdn n ASP 186 Ca 0.14 -1.81 0.12 0.00 0.52 0.00 0.00 54.79 53.76 2xdn n ASP 186 Cb 0.60 -1.41 0.20 0.00 -0.72 0.00 0.00 41.12 39.78 2xdn n ASP 186 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2xdn h LEU 187 N 19.35 0.00 0.00 -2.67 5.85 -1.94 -0.85 115.31 135.04 2xdn h LEU 187 Ca 0.00 -0.06 -0.31 0.00 0.84 0.00 0.00 57.88 58.35 2xdn h LEU 187 Cb 1.01 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 2xdn h LEU 187 CO 1.07 0.03 -2.07 -0.11 -0.34 0.00 0.00 178.44 177.02 2xdn n LEU 188 N -2.52 0.35 -0.05 2.25 7.94 -1.26 -3.23 117.00 120.48 2xdn n LEU 188 Ca 0.03 0.17 -0.15 0.00 -1.11 0.00 0.00 56.01 54.95 2xdn n LEU 188 Cb 0.48 0.33 -0.07 0.00 0.53 0.00 0.00 43.42 44.69 2xdn n LEU 188 CO 0.35 0.41 0.47 1.23 -1.11 0.00 0.00 177.39 178.74 2xdn h GLY 189 N 3.82 0.58 -1.47 -3.96 0.00 -1.90 -3.35 103.07 96.78 2xdn h GLY 189 Ca -0.40 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.20 2xdn h GLY 189 CO 0.05 0.63 -0.00 1.22 0.00 0.00 0.00 176.54 178.44 2xdn n ASP 190 N -4.31 3.62 -0.31 0.19 8.00 -0.33 -4.77 116.55 118.63 2xdn n ASP 190 Ca -0.07 -3.09 0.20 0.00 0.71 0.00 0.00 54.79 52.54 2xdn n ASP 190 Cb 0.52 -0.54 0.37 0.00 -0.02 0.00 0.00 41.12 41.45 2xdn n ASP 190 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2xdn n VAL 191 N -0.66 -0.39 -0.01 2.53 0.31 -1.20 0.97 118.33 119.88 2xdn n VAL 191 Ca 0.22 1.99 -0.09 0.00 -0.01 0.00 0.00 64.34 66.45 2xdn n VAL 191 Cb 0.88 -3.02 -0.03 0.00 -0.91 0.00 0.00 33.84 30.77 2xdn n VAL 191 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2xdn h GLU 192 N 0.00 -0.20 -0.40 5.55 4.39 -1.89 -1.43 114.58 120.60 2xdn h GLU 192 Ca 0.65 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.35 2xdn h GLU 192 Cb 1.50 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 30.17 2xdn h GLU 192 CO -0.82 -0.13 0.19 0.87 -1.16 0.00 0.00 179.01 177.96 2xdn h LYS 193 N -0.21 0.57 -0.84 2.33 1.57 0.23 -0.04 116.57 120.19 2xdn h LYS 193 Ca 0.10 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2xdn h LYS 193 Cb 0.36 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 2xdn h LYS 193 CO -0.28 0.50 0.39 -1.49 -0.57 0.00 0.00 179.45 178.00 2xdn h TRP 194 N 0.50 1.21 0.10 -1.35 4.06 -0.98 0.81 115.95 120.32 2xdn h TRP 194 Ca 0.14 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 61.02 2xdn h TRP 194 Cb 0.11 -0.37 0.00 0.00 -1.00 0.00 0.00 29.16 27.90 2xdn h TRP 194 CO -0.01 0.88 -0.05 0.28 -3.56 0.00 0.00 178.44 175.98 2xdn h VAL 195 N 1.19 1.11 -0.45 1.49 2.07 -1.11 -2.77 116.25 117.79 2xdn h VAL 195 Ca 0.29 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.88 2xdn h VAL 195 Cb 0.14 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2xdn h VAL 195 CO -0.03 0.23 0.30 0.44 0.02 0.00 0.00 177.57 178.52 2xdn h ASP 196 N -0.59 0.44 -0.15 0.57 3.32 -0.80 0.14 116.42 119.34 2xdn h ASP 196 Ca -0.01 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.06 2xdn h ASP 196 Cb 0.48 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 2xdn h ASP 196 CO 0.02 0.31 -0.05 0.74 -1.72 0.00 0.00 179.24 178.54 2xdn h THR 197 N 0.51 0.81 0.17 0.35 2.02 0.77 0.33 112.91 117.88 2xdn h THR 197 Ca 0.18 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 2xdn h THR 197 Cb 0.08 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2xdn h THR 197 CO -0.04 0.00 -0.13 1.23 0.37 0.00 0.00 175.52 176.95 2xdn h GLY 198 N -0.03 -0.30 0.42 2.16 0.00 -1.04 -2.49 103.07 101.80 2xdn h GLY 198 Ca 0.08 0.14 0.11 0.00 0.00 0.00 0.00 47.33 47.66 2xdn h GLY 198 CO -0.17 -0.13 0.42 1.41 0.00 0.00 0.00 176.54 178.07 2xdn h LEU 199 N -0.31 0.56 -1.48 3.11 3.38 -0.61 -1.77 115.31 118.19 2xdn h LEU 199 Ca -0.01 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2xdn h LEU 199 Cb 0.27 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2xdn h LEU 199 CO -0.01 0.30 0.37 0.44 0.09 0.00 0.00 178.44 179.64 2xdn h ASP 200 N 0.68 0.59 -0.76 -0.43 3.32 -0.11 -0.13 116.42 119.58 2xdn h ASP 200 Ca 0.40 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.39 2xdn h ASP 200 Cb 0.45 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2xdn h ASP 200 CO -0.29 0.41 0.29 -0.03 -1.72 0.00 0.00 179.24 177.90 2xdn h MET 201 N 0.69 1.15 -0.08 3.56 1.85 -0.87 0.18 114.93 121.40 2xdn h MET 201 Ca 0.22 -0.22 -0.07 0.00 -0.61 0.00 0.00 59.70 59.02 2xdn h MET 201 Cb 0.04 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 31.89 2xdn h MET 201 CO -0.06 0.95 -0.24 -0.07 -0.40 0.00 0.00 176.91 177.09 2xdn h LEU 202 N 1.11 0.35 -0.55 3.39 3.38 -1.14 -1.75 115.31 120.10 2xdn h LEU 202 Ca 0.25 -0.60 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 2xdn h LEU 202 Cb 0.24 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2xdn h LEU 202 CO -0.02 0.89 -0.02 -0.09 0.09 0.00 0.00 178.44 179.29 2xdn h ARG 203 N -0.17 0.98 0.00 1.13 2.43 -1.02 -3.39 114.38 114.35 2xdn h ARG 203 Ca -0.01 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2xdn h ARG 203 Cb 0.85 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2xdn h ARG 203 CO 0.05 1.00 -1.06 1.28 -1.51 0.00 0.00 179.97 179.73 2xdn n LEU 204 N -4.24 0.60 -4.61 3.80 4.77 0.61 -4.57 117.00 113.36 2xdn n LEU 204 Ca 0.02 -0.37 -0.41 0.00 -0.03 0.00 0.00 56.01 55.22 2xdn n LEU 204 Cb 0.35 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.37 2xdn n LEU 204 CO 0.44 0.15 0.36 -0.55 -1.33 0.00 0.00 177.39 176.46 2xdn s SER 205 N -2.97 6.51 0.33 -1.43 0.15 -0.66 -4.94 113.70 110.68 2xdn s SER 205 Ca 0.03 0.53 0.10 0.00 0.70 0.00 0.00 55.95 57.31 2xdn s SER 205 Cb 0.12 -2.32 0.56 0.00 -1.71 0.00 0.00 66.02 62.67 2xdn s SER 205 CO 0.71 -0.41 1.74 -0.65 1.20 0.00 0.00 173.24 175.83 2xdn h PRO 206 N 8.07 0.08 -0.07 5.44 0.11 -1.93 -2.70 132.00 140.99 2xdn h PRO 206 Ca -0.27 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 2xdn h PRO 206 Cb 1.12 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2xdn h PRO 206 CO 0.78 0.50 0.03 0.00 -0.21 0.00 0.00 178.00 179.10 2xdn h ALA 207 N 1.49 1.92 0.00 -0.75 0.00 -1.96 0.53 119.26 120.50 2xdn h ALA 207 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2xdn h ALA 207 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2xdn h ALA 207 CO 0.06 0.07 0.00 -0.07 0.00 0.00 0.00 179.25 179.31 2xdn h LEU 208 N 0.10 0.00-10.30 0.00 3.38 -1.83 -3.46 115.31 103.20 2xdn h LEU 208 Ca 0.03 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.48 2xdn h LEU 208 Cb 0.02 0.00 0.14 0.00 0.09 0.00 0.00 40.66 40.90 2xdn h LEU 208 CO -0.00 0.00 0.31 -0.13 0.09 0.00 0.00 178.44 178.71 2xdn s ARG 209 N -3.22 2.17 0.00 1.13 1.81 0.18 -1.55 118.95 119.47 2xdn s ARG 209 Ca 0.08 1.23 0.00 0.00 -1.72 0.00 0.00 55.73 55.31 2xdn s ARG 209 Cb 0.10 -1.88 0.00 0.00 -0.45 0.00 0.00 34.95 32.72 2xdn s ARG 209 CO 0.56 -1.72 0.00 1.17 -0.68 0.00 0.00 175.30 174.64