#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 0.00 0.27 -0.78 0.00 -1.26 -4.54 118.16 111.85 2xdn n LYS 6 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 58.31 58.43 2xdn n LYS 6 Cb 0.00 0.00 0.76 0.00 0.00 0.00 0.00 35.03 35.79 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 0.00 0.00 1.64 5.08 -2.05 -2.61 114.58 116.64 2xdn h GLU 7 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2xdn h GLU 7 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2xdn h GLU 7 CO 0.00 0.06 0.00 0.39 -1.00 0.00 0.00 179.01 178.46 2xdn n GLU 8 N -3.97 0.00 -0.32 2.33 -0.58 -1.26 -1.39 120.64 115.44 2xdn n GLU 8 Ca -0.03 0.49 0.21 0.00 -0.42 0.00 0.00 57.16 57.41 2xdn n GLU 8 Cb 0.15 -1.47 0.41 0.00 -0.57 0.00 0.00 31.44 29.96 2xdn n GLU 8 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2xdn h ALA 9 N -2.00 1.62 -0.23 0.62 0.00 -1.93 0.13 119.26 117.47 2xdn h ALA 9 Ca 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2xdn h ALA 9 Cb 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2xdn h ALA 9 CO 0.00 -0.67 0.01 -0.56 0.00 0.00 0.00 179.25 178.04 2xdn h GLN 10 N 0.10 0.39 0.00 0.00 -0.00 -1.37 -1.60 115.11 112.63 2xdn h GLN 10 Ca 0.69 -0.12 -0.10 0.00 -0.00 0.00 0.00 58.65 59.12 2xdn h GLN 10 Cb 1.58 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 29.01 2xdn h GLN 10 CO -0.77 0.56 -0.46 0.93 -0.00 0.00 0.00 178.83 179.10 2xdn h GLU 11 N 0.17 0.00 -0.15 0.06 5.08 0.20 -2.67 114.58 117.27 2xdn h GLU 11 Ca 0.07 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2xdn h GLU 11 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2xdn h GLU 11 CO 0.01 0.46 -0.16 1.79 -1.00 0.00 0.00 179.01 180.10 2xdn h THR 12 N 0.00 1.35 0.02 1.13 1.35 -0.75 -1.12 112.91 114.88 2xdn h THR 12 Ca -0.00 -1.33 0.03 0.00 -0.55 0.00 0.00 66.41 64.55 2xdn h THR 12 Cb 1.10 1.87 -0.05 0.00 -1.73 0.00 0.00 68.15 69.35 2xdn h THR 12 CO 0.06 0.39 -0.31 -0.09 -0.25 0.00 0.00 175.52 175.32 2xdn h ARG 13 N 0.01 -0.45 -0.33 4.72 2.43 -1.20 0.23 114.38 119.79 2xdn h ARG 13 Ca 0.02 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 2xdn h ARG 13 Cb 0.70 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2xdn h ARG 13 CO 0.04 -0.30 0.23 0.00 -1.51 0.00 0.00 179.97 178.43 2xdn h ALA 14 N 0.26 2.16 -0.19 2.80 0.00 -1.51 0.34 119.26 123.12 2xdn h ALA 14 Ca 0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2xdn h ALA 14 Cb 0.55 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2xdn h ALA 14 CO -0.25 -0.24 -0.46 -0.56 0.00 0.00 0.00 179.25 177.74 2xdn h GLN 15 N 0.12 0.48 0.24 0.00 -0.00 0.25 0.21 115.11 116.41 2xdn h GLN 15 Ca 0.15 -0.26 -0.01 0.00 -0.00 0.00 0.00 58.65 58.53 2xdn h GLN 15 Cb 0.45 0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.95 2xdn h GLN 15 CO -0.02 0.84 -0.12 0.82 -0.00 0.00 0.00 178.83 180.36 2xdn h ILE 16 N 0.38 0.70 -0.40 1.86 2.04 0.19 -2.95 117.51 119.33 2xdn h ILE 16 Ca 0.02 -0.89 0.08 0.00 1.00 0.00 0.00 64.86 65.07 2xdn h ILE 16 Cb 0.96 1.12 -0.09 0.00 -0.74 0.00 0.00 36.82 38.06 2xdn h ILE 16 CO 0.08 0.16 -0.36 0.40 0.00 0.00 0.00 178.15 178.43 2xdn h ILE 17 N -0.86 0.18 -0.05 -0.67 2.04 -0.43 0.36 117.51 118.07 2xdn h ILE 17 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.84 2xdn h ILE 17 Cb 0.51 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2xdn h ILE 17 CO 0.05 0.00 0.06 -0.08 0.00 0.00 0.00 178.15 178.19 2xdn h GLU 18 N -0.28 0.00 0.00 2.37 4.57 -1.06 -1.87 114.58 118.31 2xdn h GLU 18 Ca 0.16 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.21 2xdn h GLU 18 Cb 0.56 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 2xdn h GLU 18 CO -0.55 0.00 -1.31 0.00 -1.18 0.00 0.00 179.01 175.97 2xdn h ALA 19 N 1.93 0.63 -0.55 2.92 0.00 -0.51 -3.13 119.26 120.54 2xdn h ALA 19 Ca 0.02 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 2xdn h ALA 19 Cb 0.15 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2xdn h ALA 19 CO -0.00 0.73 0.11 0.00 0.00 0.00 0.00 179.25 180.09 2xdn h ALA 20 N 1.54 1.17 0.00 0.00 0.00 0.34 -1.39 119.26 120.92 2xdn h ALA 20 Ca -0.13 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 2xdn h ALA 20 Cb 1.47 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2xdn h ALA 20 CO 0.04 0.56 -0.85 1.49 0.00 0.00 0.00 179.25 180.49 2xdn h GLU 21 N 0.82 0.13 -0.11 0.00 4.81 -1.50 0.34 114.58 119.08 2xdn h GLU 21 Ca 0.18 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2xdn h GLU 21 Cb 0.33 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 2xdn h GLU 21 CO 0.00 0.90 -0.11 0.00 -0.73 0.00 0.00 179.01 179.07 2xdn h ARG 22 N 0.07 0.26 0.26 1.92 3.08 -1.47 -2.55 114.38 115.96 2xdn h ARG 22 Ca -0.03 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2xdn h ARG 22 Cb 1.47 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.53 2xdn h ARG 22 CO 0.12 0.68 -0.12 0.00 -1.07 0.00 0.00 179.97 179.58 2xdn h ALA 23 N 0.58 -0.34 -0.79 0.04 0.00 -1.13 -2.81 119.26 114.80 2xdn h ALA 23 Ca 0.02 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2xdn h ALA 23 Cb 0.63 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2xdn h ALA 23 CO 0.03 -0.59 0.52 0.74 0.00 0.00 0.00 179.25 179.95 2xdn h PHE 24 N -0.56 0.93 -0.01 0.00 0.05 -0.43 0.46 116.94 117.38 2xdn h PHE 24 Ca -0.04 0.02 -0.11 0.00 3.82 0.00 0.00 57.97 61.67 2xdn h PHE 24 Cb 0.41 -0.31 -0.01 0.00 2.00 0.00 0.00 35.95 38.03 2xdn h PHE 24 CO -0.00 0.54 -0.50 -0.92 -0.18 0.00 0.00 178.31 177.25 2xdn h TYR 25 N 0.96 0.03 0.02 -0.55 3.20 -1.44 -1.35 116.97 117.84 2xdn h TYR 25 Ca 0.32 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 62.00 2xdn h TYR 25 Cb 0.06 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 2xdn h TYR 25 CO -0.00 0.52 -0.96 0.87 -1.64 0.00 0.00 178.16 176.95 2xdn h LYS 26 N 0.02 0.04 0.00 1.82 1.79 -1.12 -3.41 116.57 115.71 2xdn h LYS 26 Ca -0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2xdn h LYS 26 Cb 0.90 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 2xdn h LYS 26 CO 0.07 1.04 -1.10 0.54 -1.08 0.00 0.00 179.45 178.91 2xdn n ARG 27 N -4.38 1.33 0.00 3.15 5.12 0.09 -5.09 116.66 116.87 2xdn n ARG 27 Ca -0.25 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.62 2xdn n ARG 27 Cb 0.67 -1.30 0.00 0.00 -1.16 0.00 0.00 32.46 30.67 2xdn n ARG 27 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2xdn n GLY 28 N 1.44 -1.12 0.18 -0.13 0.00 -0.51 -4.57 105.19 100.48 2xdn n GLY 28 Ca 0.01 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.20 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 1.29 -0.88 1.61 2.07 -0.86 -3.30 116.25 116.18 2xdn h VAL 29 Ca 0.00 -2.44 0.18 0.00 0.82 0.00 0.00 66.70 65.26 2xdn h VAL 29 Cb 0.00 2.64 -0.11 0.00 -1.52 0.00 0.00 31.29 32.30 2xdn h VAL 29 CO 0.00 0.74 0.44 0.00 0.02 0.00 0.00 177.57 178.78 2xdn h ALA 30 N 0.32 1.39 -0.07 1.67 0.00 -1.86 -2.83 119.26 117.89 2xdn h ALA 30 Ca -0.18 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2xdn h ALA 30 Cb 1.88 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2xdn h ALA 30 CO 0.23 -0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.84 2xdn n ARG 31 N -4.92 1.32 -3.07 0.00 1.74 -1.26 -4.92 116.66 105.54 2xdn n ARG 31 Ca 0.20 -1.51 -0.40 0.00 -0.77 0.00 0.00 57.85 55.37 2xdn n ARG 31 Cb 0.54 -1.30 -0.05 0.00 -1.02 0.00 0.00 32.46 30.62 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 -1.26 4.98 0.23 0.55 2.01 -1.07 -5.06 115.64 116.02 2xdn s THR 32 Ca 0.19 1.43 0.05 0.00 0.31 0.00 0.00 61.69 63.68 2xdn s THR 32 Cb 0.13 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2xdn s THR 32 CO 0.20 0.30 0.29 0.28 -0.69 0.00 0.00 174.62 174.99 2xdn s THR 33 N 0.51 4.96 0.09 -0.82 -1.32 -1.26 -4.97 115.64 112.82 2xdn s THR 33 Ca 0.36 -1.11 -0.21 0.00 -1.21 0.00 0.00 61.69 59.53 2xdn s THR 33 Cb -0.18 -3.67 -0.06 0.00 -1.51 0.00 0.00 72.50 67.07 2xdn s THR 33 CO 0.19 -0.31 1.35 -0.07 -2.21 0.00 0.00 174.62 173.57 2xdn h LEU 34 N 1.42 -1.24 -1.08 9.08 3.38 -1.97 -1.41 115.31 123.49 2xdn h LEU 34 Ca -0.50 0.17 0.37 0.00 0.09 0.00 0.00 57.88 58.01 2xdn h LEU 34 Cb 1.23 0.52 -0.15 0.00 0.09 0.00 0.00 40.66 42.34 2xdn h LEU 34 CO 0.62 -0.23 0.61 0.00 0.09 0.00 0.00 178.44 179.52 2xdn h ALA 35 N -0.39 2.16 -0.07 1.53 0.00 -1.95 0.60 119.26 121.15 2xdn h ALA 35 Ca 0.06 0.20 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 2xdn h ALA 35 Cb 0.35 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2xdn h ALA 35 CO -0.43 -0.83 -0.43 -0.44 0.00 0.00 0.00 179.25 177.12 2xdn h ASP 36 N 0.18 0.16 -0.09 0.00 3.32 -1.67 -2.38 116.42 115.93 2xdn h ASP 36 Ca 0.78 -0.07 -0.21 0.00 0.02 0.00 0.00 57.03 57.56 2xdn h ASP 36 Cb 2.01 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 41.53 2xdn h ASP 36 CO -0.62 0.57 -0.76 0.40 -1.72 0.00 0.00 179.24 177.11 2xdn h ILE 37 N 0.13 1.31 0.28 0.35 2.04 0.10 -2.49 117.51 119.23 2xdn h ILE 37 Ca 0.01 -2.01 -0.00 0.00 1.00 0.00 0.00 64.86 63.86 2xdn h ILE 37 Cb 0.81 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 2xdn h ILE 37 CO 0.06 0.62 -0.23 0.00 0.00 0.00 0.00 178.15 178.60 2xdn h ALA 38 N 0.48 -0.51 -0.75 1.87 0.00 -1.13 0.90 119.26 120.10 2xdn h ALA 38 Ca -0.07 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 54.89 2xdn h ALA 38 Cb 1.40 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.46 2xdn h ALA 38 CO 0.15 -0.81 0.50 1.05 0.00 0.00 0.00 179.25 180.14 2xdn h GLU 39 N -0.53 0.46 0.04 0.00 9.09 -1.52 -1.36 114.58 120.76 2xdn h GLU 39 Ca -0.02 -0.03 -0.22 0.00 0.05 0.00 0.00 59.36 59.14 2xdn h GLU 39 Cb 0.47 -0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 27.46 2xdn h GLU 39 CO -0.02 0.31 -1.01 1.37 0.05 0.00 0.00 179.01 179.70 2xdn h LEU 40 N 0.48 0.24 0.00 3.06 8.10 -0.81 -3.11 115.31 123.27 2xdn h LEU 40 Ca 0.37 -0.23 0.00 0.00 0.11 0.00 0.00 57.88 58.13 2xdn h LEU 40 Cb 0.75 -0.08 0.00 0.00 -0.44 0.00 0.00 40.66 40.90 2xdn h LEU 40 CO -0.12 1.11 0.00 0.00 -4.11 0.00 0.00 178.44 175.31 2xdn n ALA 41 N -2.46 2.26 -3.71 0.17 0.00 0.30 -4.87 120.51 112.21 2xdn n ALA 41 Ca -0.04 -0.12 -0.23 0.00 0.00 0.00 0.00 53.44 53.05 2xdn n ALA 41 Cb 0.90 -1.39 0.04 0.00 0.00 0.00 0.00 19.45 19.00 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 0.72 -0.37 3.09 0.00 0.00 -0.62 -4.89 105.19 103.11 2xdn n GLY 42 Ca 0.13 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 2xdn n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xdn s VAL 43 N -3.51 1.54 0.06 1.61 1.01 -0.66 -5.05 120.40 115.40 2xdn s VAL 43 Ca 0.21 -0.69 -0.37 0.00 0.00 0.00 0.00 61.98 61.13 2xdn s VAL 43 Cb -0.10 -1.39 -0.19 0.00 0.00 0.00 0.00 36.38 34.70 2xdn s VAL 43 CO 0.80 0.45 0.95 1.07 0.00 0.00 0.00 175.10 178.37 2xdn n THR 44 N 3.96 0.52 0.00 3.92 5.66 -1.26 -4.43 114.28 122.65 2xdn n THR 44 Ca -0.20 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 2xdn n THR 44 Cb 0.52 -0.06 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 2xdn n THR 44 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2xdn n ARG 45 N 1.42 0.00 -0.29 1.09 5.12 -1.26 -1.67 116.66 121.07 2xdn n ARG 45 Ca 0.19 0.72 0.34 0.00 -1.93 0.00 0.00 57.85 57.18 2xdn n ARG 45 Cb 0.13 -1.23 0.64 0.00 -1.16 0.00 0.00 32.46 30.84 2xdn n ARG 45 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2xdn h GLY 46 N 0.00 0.00 -0.14 -0.13 0.00 -2.02 -2.32 103.07 98.47 2xdn h GLY 46 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 2xdn h GLY 46 CO 0.00 0.00 0.01 0.00 0.00 0.00 0.00 176.54 176.55 2xdn h ALA 47 N 0.97 0.67 -0.11 3.60 0.00 -1.64 -2.02 119.26 120.74 2xdn h ALA 47 Ca 0.56 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.70 2xdn h ALA 47 Cb 2.68 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 20.81 2xdn h ALA 47 CO -0.01 -0.40 0.09 0.97 0.00 0.00 0.00 179.25 179.90 2xdn h ILE 48 N 0.12 0.84 0.00 0.00 2.10 -1.59 -0.20 117.51 118.79 2xdn h ILE 48 Ca 0.35 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.29 2xdn h ILE 48 Cb 0.58 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 37.25 2xdn h ILE 48 CO -0.56 0.00 -0.04 -1.22 -1.08 0.00 0.00 178.15 175.25 2xdn n TYR 49 N -4.35 0.69 -0.04 2.19 4.02 -0.76 -1.49 117.16 117.42 2xdn n TYR 49 Ca -0.00 0.20 -0.16 0.00 -0.01 0.00 0.00 57.90 57.92 2xdn n TYR 49 Cb 0.20 -0.82 -0.07 0.00 -0.02 0.00 0.00 39.34 38.63 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 0.99 0.00 -0.72 7.01 -1.07 -3.37 115.95 118.78 2xdn h TRP 50 Ca 0.00 -0.41 -0.15 0.00 2.11 0.00 0.00 58.89 60.44 2xdn h TRP 50 Cb 0.68 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 2xdn h TRP 50 CO 0.00 1.23 -1.08 0.45 -2.79 0.00 0.00 178.44 176.25 2xdn h HIS 51 N 0.46 0.00 -2.90 2.65 3.86 -1.45 -3.45 115.15 114.32 2xdn h HIS 51 Ca -0.03 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.98 2xdn h HIS 51 Cb 1.28 0.00 -0.31 0.00 1.06 0.00 0.00 27.41 29.44 2xdn h HIS 51 CO 0.09 0.57 -0.48 -0.06 0.86 0.00 0.00 177.93 178.90 2xdn s PHE 52 N -2.93 -0.41 0.03 2.45 0.08 -0.55 -5.04 117.98 111.60 2xdn s PHE 52 Ca -0.00 0.94 -0.19 0.00 0.12 0.00 0.00 56.93 57.79 2xdn s PHE 52 Cb 0.08 0.04 -0.11 0.00 -0.57 0.00 0.00 43.02 42.47 2xdn s PHE 52 CO 0.79 -0.31 1.24 -0.91 -0.10 0.00 0.00 175.22 175.93 2xdn h ASN 53 N 7.71 -0.59 -1.99 1.36 -0.26 -1.84 -3.37 115.58 116.59 2xdn h ASN 53 Ca -0.28 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.48 2xdn h ASN 53 Cb 1.14 0.15 0.00 0.00 -1.06 0.00 0.00 38.32 38.55 2xdn h ASN 53 CO 0.25 -0.41 0.00 -0.46 -1.06 0.00 0.00 177.43 175.75 2xdn n ASN 54 N -3.96 1.89 0.08 5.81 0.23 -1.26 -4.96 115.26 113.09 2xdn n ASN 54 Ca -0.09 -0.47 -0.15 0.00 -0.53 0.00 0.00 54.58 53.34 2xdn n ASN 54 Cb 0.28 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.84 2xdn n ASN 54 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2xdn h LYS 55 N 0.00 0.24 -0.90 -3.83 3.64 -1.98 -3.28 116.57 110.46 2xdn h LYS 55 Ca 0.00 -0.40 0.02 0.00 -1.27 0.00 0.00 60.65 59.00 2xdn h LYS 55 Cb 0.00 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 2xdn h LYS 55 CO 0.00 1.14 0.59 0.00 -2.27 0.00 0.00 179.45 178.91 2xdn h ALA 56 N 0.58 1.39 -0.17 5.00 0.00 -1.96 -0.47 119.26 123.63 2xdn h ALA 56 Ca -0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2xdn h ALA 56 Cb 1.98 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2xdn h ALA 56 CO 0.18 0.54 -0.12 1.05 0.00 0.00 0.00 179.25 180.90 2xdn h GLU 57 N 1.17 0.27 -0.01 0.00 4.11 -1.97 -0.24 114.58 117.91 2xdn h GLU 57 Ca 0.34 -0.06 -0.21 0.00 0.07 0.00 0.00 59.36 59.50 2xdn h GLU 57 Cb -0.07 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2xdn h GLU 57 CO -0.09 0.40 -0.89 1.25 0.07 0.00 0.00 179.01 179.75 2xdn h LEU 58 N 0.25 0.44 -0.42 3.06 5.85 -1.31 -1.84 115.31 121.34 2xdn h LEU 58 Ca 0.05 -0.34 -0.17 0.00 0.84 0.00 0.00 57.88 58.26 2xdn h LEU 58 Cb 0.37 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2xdn h LEU 58 CO 0.02 1.13 -0.54 0.58 -0.34 0.00 0.00 178.44 179.30 2xdn h VAL 59 N 0.20 1.30 -0.34 1.05 2.07 -0.79 -2.94 116.25 116.79 2xdn h VAL 59 Ca -0.06 -1.75 -0.09 0.00 0.82 0.00 0.00 66.70 65.62 2xdn h VAL 59 Cb 1.51 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 2xdn h VAL 59 CO 0.15 0.56 -0.14 -0.61 0.02 0.00 0.00 177.57 177.54 2xdn h GLN 60 N 0.56 0.61 -0.60 1.57 5.75 -0.97 -1.48 115.11 120.54 2xdn h GLN 60 Ca 0.01 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.29 2xdn h GLN 60 Cb 1.11 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.58 2xdn h GLN 60 CO 0.11 0.73 0.27 0.00 -2.65 0.00 0.00 178.83 177.29 2xdn h ALA 61 N 1.30 0.77 -0.87 3.38 0.00 -1.28 0.11 119.26 122.66 2xdn h ALA 61 Ca 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2xdn h ALA 61 Cb 0.57 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2xdn h ALA 61 CO 0.04 0.35 0.53 -0.07 0.00 0.00 0.00 179.25 180.10 2xdn h LEU 62 N 0.82 1.04 -0.23 0.00 3.38 -1.24 -1.55 115.31 117.53 2xdn h LEU 62 Ca 0.20 -0.06 -0.22 0.00 0.09 0.00 0.00 57.88 57.90 2xdn h LEU 62 Cb 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2xdn h LEU 62 CO -0.02 0.79 -0.85 0.25 0.09 0.00 0.00 178.44 178.70 2xdn h LEU 63 N 1.20 0.64 -0.73 1.67 6.46 -0.78 -3.26 115.31 120.51 2xdn h LEU 63 Ca 0.31 -0.46 -0.10 0.00 -0.12 0.00 0.00 57.88 57.52 2xdn h LEU 63 Cb -0.06 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.66 2xdn h LEU 63 CO -0.06 1.24 -0.12 0.44 -0.62 0.00 0.00 178.44 179.31 2xdn h ASP 64 N 0.33 0.83 0.08 1.25 3.32 -0.33 -2.79 116.42 119.12 2xdn h ASP 64 Ca -0.06 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 2xdn h ASP 64 Cb 1.46 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 2xdn h ASP 64 CO 0.15 0.97 -0.02 0.77 -1.72 0.00 0.00 179.24 179.40 2xdn h SER 65 N 0.75 0.00 0.43 6.45 4.64 -1.33 -0.99 113.55 123.50 2xdn h SER 65 Ca 0.12 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 2xdn h SER 65 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 2xdn h SER 65 CO 0.04 0.02 -0.18 -0.07 -0.87 0.00 0.00 176.83 175.77 2xdn h LEU 66 N 0.00 0.00 0.08 5.97 3.38 -1.57 -2.99 115.31 120.19 2xdn h LEU 66 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2xdn h LEU 66 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2xdn h LEU 66 CO 0.00 0.18 -1.17 0.00 0.09 0.00 0.00 178.44 177.54 2xdn h ALA 67 N 1.82 0.17 -0.64 1.53 0.00 -1.32 -3.37 119.26 117.44 2xdn h ALA 67 Ca -0.00 -0.88 0.06 0.00 0.00 0.00 0.00 54.91 54.08 2xdn h ALA 67 Cb 0.44 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 2xdn h ALA 67 CO 0.02 1.04 -0.46 0.93 0.00 0.00 0.00 179.25 180.77 2xdn h GLU 68 N 0.06 -0.10 -1.03 0.00 5.08 -1.61 -1.23 114.58 115.75 2xdn h GLU 68 Ca -0.10 0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.53 2xdn h GLU 68 Cb 1.91 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 31.08 2xdn h GLU 68 CO 0.18 -0.07 0.66 1.15 -1.00 0.00 0.00 179.01 179.93 2xdn h THR 69 N -0.11 0.53 -0.12 1.13 2.02 -1.76 -2.68 112.91 111.93 2xdn h THR 69 Ca 0.10 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2xdn h THR 69 Cb 0.38 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2xdn h THR 69 CO -0.66 0.08 0.00 1.41 0.37 0.00 0.00 175.52 176.72 2xdn n HIS 70 N -4.66 0.13 -0.34 3.16 8.25 -0.50 -4.57 115.22 116.69 2xdn n HIS 70 Ca 0.25 -0.07 0.17 0.00 -0.26 0.00 0.00 57.72 57.81 2xdn n HIS 70 Cb 0.85 -0.00 0.37 0.00 1.12 0.00 0.00 29.99 32.33 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 4.42 0.61 -0.01 0.41 1.82 -1.10 -0.48 116.42 122.08 2xdn h ASP 71 Ca 0.00 0.14 -0.04 0.00 -0.39 0.00 0.00 57.03 56.74 2xdn h ASP 71 Cb 0.95 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.02 2xdn h ASP 71 CO 0.00 0.08 -0.17 -0.74 -1.61 0.00 0.00 179.24 176.80 2xdn h HIS 72 N 0.54 0.20 -0.46 0.28 2.76 -1.83 0.34 115.15 116.97 2xdn h HIS 72 Ca 0.63 -0.10 -0.06 0.00 -2.20 0.00 0.00 60.37 58.64 2xdn h HIS 72 Cb 1.21 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 30.12 2xdn h HIS 72 CO -0.03 0.85 0.04 -0.07 -1.30 0.00 0.00 177.93 177.41 2xdn h LEU 73 N -0.51 0.77 -0.12 0.26 3.38 -1.86 -1.42 115.31 115.79 2xdn h LEU 73 Ca -0.02 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.70 2xdn h LEU 73 Cb 0.88 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2xdn h LEU 73 CO 0.03 0.86 -0.09 0.00 0.09 0.00 0.00 178.44 179.34 2xdn h ALA 74 N 0.93 0.01 0.00 1.53 0.00 -1.07 0.15 119.26 120.82 2xdn h ALA 74 Ca 0.13 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2xdn h ALA 74 Cb 0.45 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2xdn h ALA 74 CO 0.02 -0.54 -0.27 0.07 0.00 0.00 0.00 179.25 178.53 2xdn h ARG 75 N -0.10 0.00 0.02 0.00 -0.00 -0.29 -2.35 114.38 111.66 2xdn h ARG 75 Ca 0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 59.98 59.83 2xdn h ARG 75 Cb 0.21 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.20 2xdn h ARG 75 CO -0.18 0.27 -0.91 0.00 -0.00 0.00 0.00 179.97 179.15 2xdn h ALA 76 N 1.73 0.08 -0.02 0.08 0.00 -0.89 -2.90 119.26 117.34 2xdn h ALA 76 Ca -0.00 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.25 2xdn h ALA 76 Cb 0.58 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2xdn h ALA 76 CO 0.04 0.56 0.03 0.66 0.00 0.00 0.00 179.25 180.53 2xdn h SER 77 N 0.18 0.00 0.10 0.00 4.64 -0.48 -2.79 113.55 115.20 2xdn h SER 77 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2xdn h SER 77 Cb 1.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 2xdn h SER 77 CO 0.18 0.00 -0.58 -0.62 -0.87 0.00 0.00 176.83 174.93 2xdn n GLU 78 N -3.95 0.64 -2.91 4.77 1.02 -0.90 -4.09 120.64 115.22 2xdn n GLU 78 Ca -0.02 -0.49 -0.41 0.00 -0.02 0.00 0.00 57.16 56.21 2xdn n GLU 78 Cb 0.11 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.70 6.97 0.30 1.62 0.15 -1.05 -4.81 113.70 114.17 2xdn s SER 79 Ca 0.16 1.18 0.01 0.00 0.70 0.00 0.00 55.95 58.00 2xdn s SER 79 Cb 0.18 -2.45 0.54 0.00 -1.71 0.00 0.00 66.02 62.58 2xdn s SER 79 CO 0.66 -0.35 1.89 -0.08 1.20 0.00 0.00 173.24 176.57 2xdn h GLU 80 N 7.24 0.99 0.00 5.44 4.22 -1.90 -1.31 114.58 129.26 2xdn h GLU 80 Ca -0.31 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.06 2xdn h GLU 80 Cb 1.14 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2xdn h GLU 80 CO 0.82 0.66 -0.03 -0.44 -2.18 0.00 0.00 179.01 177.83 2xdn h ASP 81 N 1.02 0.00 -2.58 1.04 3.32 -1.94 -3.43 116.42 113.85 2xdn h ASP 81 Ca 0.42 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.86 2xdn h ASP 81 Cb 0.27 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.94 2xdn h ASP 81 CO -0.17 0.03 0.13 1.21 -1.72 0.00 0.00 179.24 178.72 2xdn n GLU 82 N -3.85 1.36 0.04 3.56 4.07 -0.49 -4.92 120.64 120.41 2xdn n GLU 82 Ca -0.03 0.48 -0.22 0.00 -0.06 0.00 0.00 57.16 57.33 2xdn n GLU 82 Cb 0.12 -1.88 -0.14 0.00 -0.06 0.00 0.00 31.44 29.48 2xdn n GLU 82 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2xdn h VAL 83 N 1.91 0.83 -2.20 6.31 2.07 -1.87 -3.41 116.25 119.89 2xdn h VAL 83 Ca -0.40 -2.44 -0.56 0.00 0.82 0.00 0.00 66.70 64.11 2xdn h VAL 83 Cb 1.34 2.66 -0.42 0.00 -1.52 0.00 0.00 31.29 33.36 2xdn h VAL 83 CO 0.60 0.86 -0.77 -0.67 0.02 0.00 0.00 177.57 177.61 2xdn n ASP 84 N -3.59 3.69 -0.36 0.57 2.03 -1.26 -4.95 116.55 112.67 2xdn n ASP 84 Ca -0.27 -3.54 -0.03 0.00 0.52 0.00 0.00 54.79 51.47 2xdn n ASP 84 Cb 1.05 -0.57 0.10 0.00 -0.72 0.00 0.00 41.12 40.98 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 2.98 1.30 -0.15 -0.67 0.13 -1.87 0.42 132.00 134.14 2xdn h PRO 85 Ca 0.13 -0.11 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 2xdn h PRO 85 Cb 0.61 -0.28 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 2xdn h PRO 85 CO 0.75 0.90 -0.24 1.25 -0.23 0.00 0.00 178.00 180.42 2xdn h LEU 86 N 1.32 0.25 -0.78 1.56 5.85 -1.89 -1.05 115.31 120.59 2xdn h LEU 86 Ca 0.35 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2xdn h LEU 86 Cb -0.08 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2xdn h LEU 86 CO -0.07 0.51 0.47 1.23 -0.34 0.00 0.00 178.44 180.24 2xdn h GLY 87 N 0.96 1.13 0.94 3.75 0.00 -0.76 -0.95 103.07 108.13 2xdn h GLY 87 Ca 0.04 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 2xdn h GLY 87 CO 0.04 0.45 -0.30 0.00 0.00 0.00 0.00 176.54 176.74 2xdn h MET 89 N 0.37 -0.01 -0.41 0.00 -1.53 -1.12 0.21 114.93 112.43 2xdn h MET 89 Ca 0.03 0.00 0.09 0.00 -3.44 0.00 0.00 59.70 56.38 2xdn h MET 89 Cb 0.87 0.00 -0.09 0.00 -0.55 0.00 0.00 31.60 31.84 2xdn h MET 89 CO 0.07 -0.01 -0.18 -0.09 0.14 0.00 0.00 176.91 176.85 2xdn h ARG 90 N -0.01 -0.09 0.00 0.39 2.43 -1.16 -0.45 114.38 115.49 2xdn h ARG 90 Ca 0.15 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 2xdn h ARG 90 Cb 0.24 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2xdn h ARG 90 CO -0.33 -0.06 -0.34 0.87 -1.51 0.00 0.00 179.97 178.60 2xdn h LYS 91 N -0.09 0.00 0.35 0.20 1.57 -0.94 -1.81 116.57 115.85 2xdn h LYS 91 Ca 0.20 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2xdn h LYS 91 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2xdn h LYS 91 CO -0.47 0.34 -0.17 1.25 -0.57 0.00 0.00 179.45 179.82 2xdn h LEU 92 N 0.00 -0.40 -0.37 2.94 6.46 0.54 -1.87 115.31 122.61 2xdn h LEU 92 Ca -0.00 -0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 2xdn h LEU 92 Cb 0.77 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 2xdn h LEU 92 CO 0.04 -0.15 0.22 -0.07 -0.62 0.00 0.00 178.44 177.86 2xdn h LEU 93 N -0.63 0.37 -0.63 2.25 3.38 -0.84 0.20 115.31 119.41 2xdn h LEU 93 Ca -0.05 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.04 2xdn h LEU 93 Cb 0.46 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.01 2xdn h LEU 93 CO 0.08 0.26 -0.28 -0.07 0.09 0.00 0.00 178.44 178.52 2xdn h LEU 94 N 0.45 -0.98 -0.37 1.67 4.07 -1.35 0.09 115.31 118.90 2xdn h LEU 94 Ca 0.14 0.22 -0.03 0.00 0.08 0.00 0.00 57.88 58.29 2xdn h LEU 94 Cb -0.01 0.52 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 2xdn h LEU 94 CO -0.06 -0.28 0.10 -0.61 -1.08 0.00 0.00 178.44 176.51 2xdn h GLN 95 N -0.11 0.58 -0.70 1.13 4.15 -0.38 0.41 115.11 120.20 2xdn h GLN 95 Ca 0.27 -0.14 0.07 0.00 0.77 0.00 0.00 58.65 59.62 2xdn h GLN 95 Cb 0.54 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.09 2xdn h GLN 95 CO -0.69 0.61 0.39 0.28 -1.93 0.00 0.00 178.83 177.49 2xdn h VAL 96 N 0.44 0.95 -0.41 2.39 2.07 -0.01 0.18 116.25 121.87 2xdn h VAL 96 Ca 0.12 -0.24 -0.15 0.00 0.82 0.00 0.00 66.70 67.25 2xdn h VAL 96 Cb 0.29 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2xdn h VAL 96 CO -0.00 0.13 -0.32 -0.26 0.02 0.00 0.00 177.57 177.14 2xdn h PHE 97 N 0.70 1.10 -0.47 1.57 0.04 -0.71 -1.66 116.94 117.51 2xdn h PHE 97 Ca 0.32 -0.31 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 2xdn h PHE 97 Cb 0.23 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 2xdn h PHE 97 CO -0.08 1.13 0.09 -0.91 -0.60 0.00 0.00 178.31 177.95 2xdn h ASN 98 N 0.76 0.74 -0.15 2.17 2.35 -0.21 -1.98 115.58 119.26 2xdn h ASN 98 Ca 0.08 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 2xdn h ASN 98 Cb 0.91 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 2xdn h ASN 98 CO 0.08 0.80 0.04 -0.08 -1.65 0.00 0.00 177.43 176.62 2xdn h GLU 99 N 0.64 0.24 -0.76 0.81 4.81 -0.66 0.18 114.58 119.85 2xdn h GLU 99 Ca 0.15 -0.06 0.15 0.00 -0.13 0.00 0.00 59.36 59.47 2xdn h GLU 99 Cb 0.36 -0.03 -0.14 0.00 0.63 0.00 0.00 28.75 29.57 2xdn h GLU 99 CO 0.01 0.39 -0.23 1.25 -0.73 0.00 0.00 179.01 179.70 2xdn h LEU 100 N 0.05 -0.83 0.03 1.64 6.46 -1.14 0.94 115.31 122.47 2xdn h LEU 100 Ca 0.05 0.24 -0.25 0.00 -0.12 0.00 0.00 57.88 57.79 2xdn h LEU 100 Cb 0.26 0.51 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 2xdn h LEU 100 CO 0.00 -0.27 -1.28 0.58 -0.62 0.00 0.00 178.44 176.86 2xdn h VAL 101 N -0.03 1.40 0.13 1.05 2.07 -1.23 -3.36 116.25 116.29 2xdn h VAL 101 Ca 0.35 -3.12 -0.35 0.00 0.82 0.00 0.00 66.70 64.40 2xdn h VAL 101 Cb 0.57 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 2xdn h VAL 101 CO -0.79 0.83 -1.86 -0.07 0.02 0.00 0.00 177.57 175.70 2xdn h LEU 102 N 0.02 0.43 -8.62 2.57 3.38 -0.26 -3.46 115.31 109.36 2xdn h LEU 102 Ca -0.12 -0.82 -0.65 0.00 0.09 0.00 0.00 57.88 56.37 2xdn h LEU 102 Cb 1.89 -0.14 -0.15 0.00 0.09 0.00 0.00 40.66 42.34 2xdn h LEU 102 CO 0.13 1.72 0.08 -0.62 0.09 0.00 0.00 178.44 179.84 2xdn s ASP 103 N -7.01 6.32 0.18 -0.43 2.15 0.32 -4.93 116.67 113.27 2xdn s ASP 103 Ca -0.18 -0.29 -0.16 0.00 0.43 0.00 0.00 52.55 52.36 2xdn s ASP 103 Cb 0.06 -2.31 0.14 0.00 -0.30 0.00 0.00 42.92 40.52 2xdn s ASP 103 CO 0.81 -0.71 1.65 0.00 -0.17 0.00 0.00 175.17 176.75 2xdn h ALA 104 N 8.78 0.32 0.30 3.66 0.00 -1.87 -0.82 119.26 129.62 2xdn h ALA 104 Ca -0.26 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2xdn h ALA 104 Cb 1.10 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2xdn h ALA 104 CO 0.87 -0.44 -0.38 -0.09 0.00 0.00 0.00 179.25 179.20 2xdn h ARG 105 N 0.00 -0.68 -0.77 0.00 9.65 -1.94 -0.07 114.38 120.57 2xdn h ARG 105 Ca 0.23 0.05 0.18 0.00 -1.10 0.00 0.00 59.98 59.33 2xdn h ARG 105 Cb 0.35 0.15 -0.12 0.00 -1.39 0.00 0.00 29.97 28.97 2xdn h ARG 105 CO -0.49 -0.45 0.17 1.15 2.80 0.00 0.00 179.97 183.14 2xdn h THR 106 N -0.71 0.45 -0.06 0.20 2.02 -1.83 -0.94 112.91 112.05 2xdn h THR 106 Ca -0.04 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2xdn h THR 106 Cb 0.63 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2xdn h THR 106 CO -0.09 0.04 0.01 -0.09 0.37 0.00 0.00 175.52 175.76 2xdn h ARG 107 N 0.24 0.09 -0.52 6.66 2.43 -0.90 -1.93 114.38 120.44 2xdn h ARG 107 Ca 0.44 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.70 2xdn h ARG 107 Cb 0.79 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.23 2xdn h ARG 107 CO -0.56 0.29 -0.16 0.00 -1.51 0.00 0.00 179.97 178.03 2xdn h ARG 108 N -0.13 -0.03 -0.40 0.20 3.08 -0.55 0.27 114.38 116.81 2xdn h ARG 108 Ca 0.02 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 2xdn h ARG 108 Cb 0.24 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2xdn h ARG 108 CO 0.00 -0.02 -0.02 0.82 -1.07 0.00 0.00 179.97 179.68 2xdn h ILE 109 N -0.03 1.23 -0.11 2.04 2.04 -1.11 0.12 117.51 121.68 2xdn h ILE 109 Ca 0.25 -0.93 -0.19 0.00 1.00 0.00 0.00 64.86 64.98 2xdn h ILE 109 Cb 0.42 0.94 0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2xdn h ILE 109 CO -0.56 0.32 -0.68 0.78 0.00 0.00 0.00 178.15 178.02 2xdn h ASN 110 N 0.62 0.79 -0.55 1.72 4.21 -0.79 -1.31 115.58 120.26 2xdn h ASN 110 Ca 0.12 -0.65 0.04 0.00 1.21 0.00 0.00 56.30 57.02 2xdn h ASN 110 Cb 0.42 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.34 2xdn h ASN 110 CO 0.02 1.32 0.30 -0.08 -1.29 0.00 0.00 177.43 177.70 2xdn h GLU 111 N 0.32 0.57 0.55 0.81 4.57 -0.79 0.41 114.58 121.03 2xdn h GLU 111 Ca -0.05 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2xdn h GLU 111 Cb 1.32 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 2xdn h GLU 111 CO 0.14 0.38 -0.49 0.82 -1.18 0.00 0.00 179.01 178.68 2xdn h ILE 112 N 0.59 0.00 -0.59 2.32 2.04 -0.62 0.29 117.51 121.55 2xdn h ILE 112 Ca 0.23 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 2xdn h ILE 112 Cb 0.10 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 2xdn h ILE 112 CO -0.14 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 178.27 2xdn h LEU 113 N -1.02 0.73 0.08 1.44 3.38 -1.05 0.28 115.31 119.14 2xdn h LEU 113 Ca -0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2xdn h LEU 113 Cb 0.87 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2xdn h LEU 113 CO -0.03 0.61 -0.04 0.45 0.09 0.00 0.00 178.44 179.52 2xdn h HIS 114 N 0.79 -0.10 -0.11 1.13 3.86 -0.22 -3.42 115.15 117.09 2xdn h HIS 114 Ca 0.21 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2xdn h HIS 114 Cb 0.04 0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2xdn h HIS 114 CO -0.01 0.40 0.00 0.72 0.86 0.00 0.00 177.93 179.90 2xdn n HIS 115 N -4.88 0.23 -2.03 2.45 8.25 0.10 -4.76 115.22 114.57 2xdn n HIS 115 Ca -0.08 -0.68 -0.00 0.00 -0.26 0.00 0.00 57.72 56.70 2xdn n HIS 115 Cb 0.27 -0.11 -0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.51 0.00 -3.42 -0.41 5.02 0.96 -4.94 118.16 114.85 2xdn n LYS 116 Ca 0.09 -0.68 -0.18 0.00 -2.02 0.00 0.00 58.31 55.53 2xdn n LYS 116 Cb 0.47 -0.23 -0.10 0.00 -0.02 0.00 0.00 35.03 35.16 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 2.35 4.62 -0.28 0.00 2.02 -1.26 -4.97 118.70 121.17 2xdn s GLU 118 Ca 0.09 1.82 -0.28 0.00 0.02 0.00 0.00 54.97 56.62 2xdn s GLU 118 Cb -0.14 -3.20 0.01 0.00 0.10 0.00 0.00 34.13 30.90 2xdn s GLU 118 CO -0.31 0.16 1.01 -0.06 0.02 0.00 0.00 175.26 176.09 2xdn s PHE 119 N -1.01 3.23 0.05 1.61 2.99 -1.26 -4.89 117.98 118.70 2xdn s PHE 119 Ca 0.46 1.24 0.08 0.00 0.00 0.00 0.00 56.93 58.70 2xdn s PHE 119 Cb -0.32 -3.45 -0.03 0.00 0.00 0.00 0.00 43.02 39.22 2xdn s PHE 119 CO 0.41 -0.62 -0.22 0.95 -0.00 0.00 0.00 175.22 175.73 2xdn s THR 120 N 3.36 2.50 0.50 0.64 -4.23 -1.26 -4.94 115.64 112.21 2xdn s THR 120 Ca 0.43 -1.31 0.34 0.00 -1.18 0.00 0.00 61.69 59.97 2xdn s THR 120 Cb -0.14 -2.03 0.37 0.00 1.34 0.00 0.00 72.50 72.05 2xdn s THR 120 CO 0.11 0.33 2.20 0.44 -0.54 0.00 0.00 174.62 177.17 2xdn h ASP 121 N 4.59 0.00 0.74 3.99 5.19 -1.96 -1.97 116.42 126.99 2xdn h ASP 121 Ca -0.47 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.90 2xdn h ASP 121 Cb 1.15 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.67 2xdn h ASP 121 CO 0.45 0.04 -0.35 -0.78 -3.12 0.00 0.00 179.24 175.48 2xdn h ASP 122 N 0.00 -0.84 -2.79 6.45 3.58 -2.01 -3.34 116.42 117.47 2xdn h ASP 122 Ca -0.00 0.03 -0.75 0.00 0.42 0.00 0.00 57.03 56.73 2xdn h ASP 122 Cb 0.17 0.22 -0.32 0.00 1.72 0.00 0.00 39.33 41.12 2xdn h ASP 122 CO 0.01 -0.58 0.39 0.80 -2.88 0.00 0.00 179.24 176.97 2xdn n MET 123 N -4.77 3.87 -0.18 0.28 1.56 -0.78 -4.87 117.12 112.23 2xdn n MET 123 Ca -0.12 -4.58 0.26 0.00 -0.27 0.00 0.00 57.70 52.99 2xdn n MET 123 Cb 0.39 -2.45 0.68 0.00 2.15 0.00 0.00 33.22 33.99 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 0.08 0.00 0.74 0.00 5.08 -1.89 -2.69 114.58 115.89 2xdn h GLU 125 Ca 0.43 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.75 2xdn h GLU 125 Cb 1.55 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.81 2xdn h GLU 125 CO -0.04 0.05 -0.35 0.82 -1.00 0.00 0.00 179.01 178.49 2xdn h ILE 126 N 0.00 0.06 -0.04 3.13 2.04 -1.59 0.17 117.51 121.28 2xdn h ILE 126 Ca -0.00 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.64 2xdn h ILE 126 Cb 0.12 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.23 2xdn h ILE 126 CO 0.01 0.01 -0.22 -0.09 0.00 0.00 0.00 178.15 177.86 2xdn h ARG 127 N -1.23 -0.32 -0.76 2.37 2.43 -1.73 -1.09 114.38 114.05 2xdn h ARG 127 Ca -0.10 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.24 2xdn h ARG 127 Cb 0.77 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.29 2xdn h ARG 127 CO 0.17 -0.21 0.28 1.96 -1.51 0.00 0.00 179.97 180.66 2xdn h GLN 128 N -0.33 0.39 -0.51 0.20 4.20 -1.53 0.24 115.11 117.78 2xdn h GLN 128 Ca 0.07 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.79 2xdn h GLN 128 Cb 0.43 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 2xdn h GLN 128 CO -0.23 0.26 0.29 0.37 -0.67 0.00 0.00 178.83 178.85 2xdn h GLN 129 N 0.40 0.55 -0.23 1.46 5.75 0.23 -1.14 115.11 122.13 2xdn h GLN 129 Ca 0.43 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.87 2xdn h GLN 129 Cb 0.68 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 2xdn h GLN 129 CO -0.44 0.37 0.03 -0.09 -2.65 0.00 0.00 178.83 176.05 2xdn h ARG 130 N 0.57 0.38 -0.36 1.69 9.65 -0.01 -1.61 114.38 124.69 2xdn h ARG 130 Ca 0.22 -0.11 0.08 0.00 -1.10 0.00 0.00 59.98 59.07 2xdn h ARG 130 Cb 0.07 -0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.52 2xdn h ARG 130 CO -0.12 0.53 -0.24 1.96 2.80 0.00 0.00 179.97 184.90 2xdn h GLN 131 N 0.18 -0.18 -0.73 0.20 4.20 -0.72 0.19 115.11 118.25 2xdn h GLN 131 Ca 0.07 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.81 2xdn h GLN 131 Cb 0.33 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 2xdn h GLN 131 CO 0.01 -0.12 0.48 0.77 -0.67 0.00 0.00 178.83 179.29 2xdn h SER 132 N -0.19 0.81 -0.06 1.46 0.02 -1.09 -0.73 113.55 113.77 2xdn h SER 132 Ca 0.18 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2xdn h SER 132 Cb 0.47 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 2xdn h SER 132 CO -0.47 0.57 0.02 0.00 -1.14 0.00 0.00 176.83 175.81 2xdn h ALA 133 N 1.29 0.07 -0.31 3.77 0.00 -0.77 0.13 119.26 123.45 2xdn h ALA 133 Ca 0.28 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2xdn h ALA 133 Cb -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2xdn h ALA 133 CO -0.08 -0.33 -0.12 0.28 0.00 0.00 0.00 179.25 179.00 2xdn h VAL 134 N -0.08 1.23 -0.53 0.00 2.07 -0.56 -0.57 116.25 117.81 2xdn h VAL 134 Ca 0.02 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.46 2xdn h VAL 134 Cb 0.18 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2xdn h VAL 134 CO -0.00 0.34 0.12 -0.07 0.02 0.00 0.00 177.57 177.97 2xdn h LEU 135 N 0.48 0.82 0.38 2.57 3.38 -1.00 -1.03 115.31 120.92 2xdn h LEU 135 Ca 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2xdn h LEU 135 Cb 0.50 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2xdn h LEU 135 CO 0.03 0.85 -0.18 0.44 0.09 0.00 0.00 178.44 179.67 2xdn h ASP 136 N 0.76 -0.43 -1.26 -0.43 3.32 -0.57 -1.89 116.42 115.92 2xdn h ASP 136 Ca 0.17 -0.08 0.36 0.00 0.02 0.00 0.00 57.03 57.50 2xdn h ASP 136 Cb 0.36 0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 2xdn h ASP 136 CO 0.00 -0.18 0.89 0.00 -1.72 0.00 0.00 179.24 178.24 2xdn h HIS 138 N 0.07 0.96 -0.12 0.00 -0.00 -0.67 -2.30 115.15 113.09 2xdn h HIS 138 Ca 0.63 -0.64 0.02 0.00 -0.00 0.00 0.00 60.37 60.38 2xdn h HIS 138 Cb 2.34 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 29.68 2xdn h HIS 138 CO -0.00 1.48 0.02 -0.22 -0.00 0.00 0.00 177.93 179.21 2xdn h LYS 139 N 0.22 0.07 -0.11 5.26 1.63 -0.53 -1.11 116.57 122.00 2xdn h LYS 139 Ca -0.21 -0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.63 2xdn h LYS 139 Cb 2.00 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 33.56 2xdn h LYS 139 CO 0.25 0.05 -0.21 0.78 -3.45 0.00 0.00 179.45 176.86 2xdn h GLY 140 N 0.07 -0.21 1.72 5.01 0.00 -1.38 -1.28 103.07 107.01 2xdn h GLY 140 Ca 0.05 0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 2xdn h GLY 140 CO -0.07 -0.19 -0.04 -2.22 0.00 0.00 0.00 176.54 174.02 2xdn h ILE 141 N -0.28 1.17 -0.08 2.60 2.04 -1.21 -2.47 117.51 119.28 2xdn h ILE 141 Ca 0.09 -0.68 -0.17 0.00 1.00 0.00 0.00 64.86 65.10 2xdn h ILE 141 Cb 0.41 1.04 0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2xdn h ILE 141 CO -0.27 0.22 -0.61 0.74 0.00 0.00 0.00 178.15 178.24 2xdn h THR 142 N 0.34 1.36 0.13 -0.27 2.02 -0.80 -2.62 112.91 113.06 2xdn h THR 142 Ca 0.07 -1.93 0.01 0.00 0.77 0.00 0.00 66.41 65.34 2xdn h THR 142 Cb 0.30 2.26 -0.05 0.00 -1.74 0.00 0.00 68.15 68.92 2xdn h THR 142 CO 0.01 0.58 -0.49 0.25 0.37 0.00 0.00 175.52 176.25 2xdn h LEU 143 N 0.16 -1.46 -1.00 2.58 6.46 -0.91 0.09 115.31 121.23 2xdn h LEU 143 Ca -0.05 0.16 0.12 0.00 -0.12 0.00 0.00 57.88 57.98 2xdn h LEU 143 Cb 1.26 0.54 -0.08 0.00 -0.73 0.00 0.00 40.66 41.65 2xdn h LEU 143 CO 0.12 -0.54 0.63 0.00 -0.62 0.00 0.00 178.44 178.03 2xdn h ALA 144 N -0.40 1.50 -0.45 1.25 0.00 -1.47 0.45 119.26 120.13 2xdn h ALA 144 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2xdn h ALA 144 Cb 0.74 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2xdn h ALA 144 CO -0.27 0.24 0.24 -0.07 0.00 0.00 0.00 179.25 179.39 2xdn h LEU 145 N 1.01 0.57 -1.21 0.00 3.38 -1.27 0.18 115.31 117.96 2xdn h LEU 145 Ca 0.49 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.43 2xdn h LEU 145 Cb 0.46 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 2xdn h LEU 145 CO -0.26 0.50 0.56 0.00 0.09 0.00 0.00 178.44 179.34 2xdn h ALA 146 N 1.08 1.58 -0.40 1.53 0.00 0.18 -1.16 119.26 122.07 2xdn h ALA 146 Ca 0.16 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2xdn h ALA 146 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2xdn h ALA 146 CO -0.02 0.29 -0.30 -0.91 0.00 0.00 0.00 179.25 178.30 2xdn h ASN 147 N 0.94 0.96 0.83 0.00 2.35 -0.35 -2.48 115.58 117.84 2xdn h ASN 147 Ca 0.38 -0.44 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2xdn h ASN 147 Cb 0.25 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 2xdn h ASN 147 CO -0.14 1.20 -0.08 0.00 -1.65 0.00 0.00 177.43 176.76 2xdn h ALA 148 N 0.80 1.04 0.18 -0.83 0.00 -0.06 -1.61 119.26 118.77 2xdn h ALA 148 Ca 0.08 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 2xdn h ALA 148 Cb 0.88 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.68 2xdn h ALA 148 CO 0.08 0.10 -1.44 0.28 0.00 0.00 0.00 179.25 178.27 2xdn h VAL 149 N 0.00 1.13 -0.27 0.00 2.07 -1.19 0.79 116.25 118.78 2xdn h VAL 149 Ca -0.00 -2.52 -0.03 0.00 0.82 0.00 0.00 66.70 64.96 2xdn h VAL 149 Cb 0.52 2.89 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 2xdn h VAL 149 CO 0.01 0.78 0.03 -0.09 0.02 0.00 0.00 177.57 178.32 2xdn h ARG 150 N -0.08 0.40 -0.17 1.57 2.43 -1.22 -1.27 114.38 116.04 2xdn h ARG 150 Ca -0.28 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2xdn h ARG 150 Cb 1.94 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.43 2xdn h ARG 150 CO 0.16 0.41 0.00 0.54 -1.51 0.00 0.00 179.97 179.57 2xdn n ARG 151 N -4.34 1.67 -1.11 0.20 5.12 -0.63 -4.91 116.66 112.65 2xdn n ARG 151 Ca 0.01 -1.01 -0.04 0.00 -1.93 0.00 0.00 57.85 54.88 2xdn n ARG 151 Cb 0.20 -1.37 -0.02 0.00 -1.16 0.00 0.00 32.46 30.11 2xdn n ARG 151 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2xdn n GLY 152 N 1.09 0.68 0.08 -0.13 0.00 -0.48 -4.92 105.19 101.50 2xdn n GLY 152 Ca 0.15 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.60 2xdn n GLY 152 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2xdn h GLN 153 N 0.25 0.00 -6.10 1.61 4.20 0.27 -3.47 115.11 111.86 2xdn h GLN 153 Ca -0.08 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.05 2xdn h GLN 153 Cb 0.36 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.03 2xdn h GLN 153 CO 0.12 0.58 -0.63 -0.51 -0.67 0.00 0.00 178.83 177.72 2xdn s LEU 154 N -6.22 3.03 0.32 1.46 1.43 0.35 -4.94 118.68 114.11 2xdn s LEU 154 Ca -0.02 -0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 51.93 2xdn s LEU 154 Cb 0.09 -1.47 -0.13 0.00 0.03 0.00 0.00 46.19 44.70 2xdn s LEU 154 CO 0.82 -0.14 1.20 -2.65 0.23 0.00 0.00 176.35 175.80 2xdn n PRO 155 N -0.92 1.87 0.19 1.29 -0.02 -1.26 -4.57 135.00 131.58 2xdn n PRO 155 Ca -0.05 0.66 0.06 0.00 -2.02 0.00 0.00 63.50 62.14 2xdn n PRO 155 Cb 0.61 -2.17 0.52 0.00 -0.02 0.00 0.00 33.50 32.44 2xdn n PRO 155 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2xdn h GLY 156 N 2.37 0.11 -3.41 -1.23 0.00 -1.96 -2.67 103.07 96.28 2xdn h GLY 156 Ca -0.44 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 2xdn h GLY 156 CO 0.62 0.05 0.05 -2.21 0.00 0.00 0.00 176.54 175.05 2xdn n GLU 157 N -4.41 4.46 -1.99 4.80 4.07 -1.26 -4.98 120.64 121.32 2xdn n GLU 157 Ca -0.02 -2.92 -0.40 0.00 -0.06 0.00 0.00 57.16 53.77 2xdn n GLU 157 Cb 0.17 -2.21 0.00 0.00 -0.06 0.00 0.00 31.44 29.34 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 -2.60 4.19 -0.57 4.31 2.96 -1.01 -1.67 118.68 124.29 2xdn s LEU 158 Ca 0.51 2.72 -0.23 0.00 -0.22 0.00 0.00 54.13 56.91 2xdn s LEU 158 Cb 0.39 -3.91 0.05 0.00 0.50 0.00 0.00 46.19 43.22 2xdn s LEU 158 CO 0.14 -0.93 0.90 -0.62 -1.32 0.00 0.00 176.35 174.53 2xdn s ASP 159 N -0.68 6.27 0.20 3.68 -1.08 -0.61 -4.79 116.67 119.67 2xdn s ASP 159 Ca 0.58 -0.62 -0.09 0.00 -0.52 0.00 0.00 52.55 51.90 2xdn s ASP 159 Cb -0.39 -2.41 0.13 0.00 -1.46 0.00 0.00 42.92 38.79 2xdn s ASP 159 CO 0.51 -1.24 1.75 0.00 0.52 0.00 0.00 175.17 176.71 2xdn h ALA 160 N 9.34 0.97 0.05 3.66 0.00 -1.92 -1.35 119.26 130.00 2xdn h ALA 160 Ca -0.27 -0.21 -0.28 0.00 0.00 0.00 0.00 54.91 54.15 2xdn h ALA 160 Cb 1.08 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.60 2xdn h ALA 160 CO 1.10 0.62 -1.12 0.93 0.00 0.00 0.00 179.25 180.78 2xdn h GLU 161 N 1.08 0.65 -0.44 0.00 5.08 -1.91 -2.25 114.58 116.80 2xdn h GLU 161 Ca 0.24 -0.76 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 2xdn h GLU 161 Cb 0.27 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2xdn h GLU 161 CO -0.01 1.33 0.22 0.00 -1.00 0.00 0.00 179.01 179.55 2xdn h ARG 162 N 0.34 0.63 0.00 2.33 3.08 -1.90 -1.56 114.38 117.29 2xdn h ARG 162 Ca -0.15 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 2xdn h ARG 162 Cb 1.78 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.71 2xdn h ARG 162 CO 0.22 0.53 -0.11 0.00 -1.07 0.00 0.00 179.97 179.53 2xdn h ALA 163 N 1.06 1.67 -0.04 0.04 0.00 -1.28 0.26 119.26 120.98 2xdn h ALA 163 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2xdn h ALA 163 Cb 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2xdn h ALA 163 CO -0.02 0.14 -0.06 0.00 0.00 0.00 0.00 179.25 179.31 2xdn h ALA 164 N 1.89 0.06 0.19 0.00 0.00 -1.05 -0.82 119.26 119.53 2xdn h ALA 164 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2xdn h ALA 164 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2xdn h ALA 164 CO 0.01 -0.12 -0.09 0.28 0.00 0.00 0.00 179.25 179.33 2xdn h VAL 165 N -0.40 0.82 -0.76 0.00 2.07 -0.95 0.21 116.25 117.25 2xdn h VAL 165 Ca 0.00 -0.07 0.17 0.00 0.82 0.00 0.00 66.70 67.63 2xdn h VAL 165 Cb 0.61 0.87 -0.13 0.00 -1.52 0.00 0.00 31.29 31.12 2xdn h VAL 165 CO 0.01 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.62 2xdn h ALA 166 N 0.51 0.79 -0.06 1.67 0.00 -0.54 0.24 119.26 121.87 2xdn h ALA 166 Ca -0.03 0.25 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2xdn h ALA 166 Cb 0.23 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2xdn h ALA 166 CO 0.04 -0.43 -0.22 1.98 0.00 0.00 0.00 179.25 180.63 2xdn h MET 167 N 0.10 0.25 -0.38 0.00 -1.53 -0.71 -2.17 114.93 110.49 2xdn h MET 167 Ca 0.42 -0.19 0.01 0.00 -3.44 0.00 0.00 59.70 56.49 2xdn h MET 167 Cb 0.73 0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.80 2xdn h MET 167 CO -0.68 0.82 0.24 0.35 0.14 0.00 0.00 176.91 177.79 2xdn h PHE 168 N -0.26 0.46 -0.55 1.39 3.57 -0.23 -0.99 116.94 120.33 2xdn h PHE 168 Ca -0.01 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.55 2xdn h PHE 168 Cb 0.85 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 2xdn h PHE 168 CO 0.13 0.29 0.27 0.00 -2.23 0.00 0.00 178.31 176.77 2xdn h ALA 169 N 1.15 0.71 -0.31 2.41 0.00 -0.51 0.80 119.26 123.51 2xdn h ALA 169 Ca 0.14 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 2xdn h ALA 169 Cb -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2xdn h ALA 169 CO -0.04 -0.08 -0.38 -0.92 0.00 0.00 0.00 179.25 177.84 2xdn h TYR 170 N 0.52 0.97 -0.13 0.00 3.20 -1.15 0.15 116.97 120.54 2xdn h TYR 170 Ca 0.25 -0.31 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 2xdn h TYR 170 Cb 0.17 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2xdn h TYR 170 CO -0.11 1.10 0.03 0.28 -1.64 0.00 0.00 178.16 177.83 2xdn h VAL 171 N 0.57 1.20 -0.19 1.81 2.07 -0.67 0.92 116.25 121.97 2xdn h VAL 171 Ca 0.04 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 2xdn h VAL 171 Cb 0.97 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2xdn h VAL 171 CO 0.09 0.18 0.10 -0.78 0.02 0.00 0.00 177.57 177.18 2xdn h ASP 172 N 0.01 0.23 -0.80 0.57 3.58 0.63 -0.68 116.42 119.96 2xdn h ASP 172 Ca 0.04 -0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.45 2xdn h ASP 172 Cb 0.25 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.19 2xdn h ASP 172 CO 0.00 0.26 0.50 1.23 -2.88 0.00 0.00 179.24 178.35 2xdn h GLY 173 N 0.19 1.19 0.99 -0.78 0.00 -0.66 -2.02 103.07 101.98 2xdn h GLY 173 Ca 0.07 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 2xdn h GLY 173 CO -0.01 0.27 0.04 -2.00 0.00 0.00 0.00 176.54 174.84 2xdn h LEU 174 N 0.93 0.79 -0.43 3.11 5.85 -0.42 -1.68 115.31 123.46 2xdn h LEU 174 Ca 0.34 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2xdn h LEU 174 Cb 0.11 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2xdn h LEU 174 CO -0.15 0.88 0.19 0.40 -0.34 0.00 0.00 178.44 179.42 2xdn h ILE 175 N 0.68 0.93 -0.52 4.05 2.04 -0.82 0.07 117.51 123.95 2xdn h ILE 175 Ca 0.14 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 2xdn h ILE 175 Cb 0.45 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2xdn h ILE 175 CO 0.02 0.07 0.22 -0.09 0.00 0.00 0.00 178.15 178.36 2xdn h ARG 176 N 0.39 0.77 -0.07 2.37 2.43 -1.22 0.31 114.38 119.36 2xdn h ARG 176 Ca 0.19 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2xdn h ARG 176 Cb 0.13 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 2xdn h ARG 176 CO -0.15 0.67 -0.24 -0.09 -1.51 0.00 0.00 179.97 178.65 2xdn h ARG 177 N 0.70 -0.33 -0.45 0.20 1.12 -1.01 -0.72 114.38 113.89 2xdn h ARG 177 Ca 0.18 0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 59.02 2xdn h ARG 177 Cb 0.18 0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.19 2xdn h ARG 177 CO -0.02 -0.22 0.09 2.35 -3.11 0.00 0.00 179.97 179.06 2xdn h TRP 178 N -0.34 0.71 0.00 2.20 7.01 -0.61 0.43 115.95 125.36 2xdn h TRP 178 Ca 0.08 -0.06 -0.07 0.00 2.11 0.00 0.00 58.89 60.95 2xdn h TRP 178 Cb 0.46 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 2xdn h TRP 178 CO -0.31 0.62 -0.36 -0.07 -2.79 0.00 0.00 178.44 175.53 2xdn h LEU 179 N 0.66 0.00 0.07 0.65 3.38 -0.51 -2.19 115.31 117.38 2xdn h LEU 179 Ca 0.15 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.80 2xdn h LEU 179 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2xdn h LEU 179 CO 0.00 0.36 -1.73 -0.11 0.09 0.00 0.00 178.44 177.04 2xdn n LEU 180 N -3.92 2.32 -3.55 1.67 7.94 -0.31 -4.69 117.00 116.46 2xdn n LEU 180 Ca -0.02 0.29 -0.27 0.00 -1.11 0.00 0.00 56.01 54.91 2xdn n LEU 180 Cb 0.42 -1.05 -0.10 0.00 0.53 0.00 0.00 43.42 43.22 2xdn n LEU 180 CO 0.37 0.62 -0.16 0.18 -1.11 0.00 0.00 177.39 177.29 2xdn n LEU 181 N -3.88 1.44 -0.33 -1.96 4.77 0.14 -4.98 117.00 112.20 2xdn n LEU 181 Ca -0.33 -4.86 -0.04 0.00 -0.03 0.00 0.00 56.01 50.75 2xdn n LEU 181 Cb 0.90 -0.07 0.09 0.00 -2.33 0.00 0.00 43.42 42.00 2xdn n LEU 181 CO 0.32 1.88 1.17 -0.65 -1.33 0.00 0.00 177.39 178.78 2xdn h PRO 182 N 5.11 1.24 -0.26 3.23 0.11 -1.57 -2.56 132.00 137.29 2xdn h PRO 182 Ca 0.19 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2xdn h PRO 182 Cb 0.81 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.68 2xdn h PRO 182 CO 0.57 0.91 0.00 -0.25 -0.21 0.00 0.00 178.00 179.02 2xdn n ASP 183 N -4.34 1.30 -0.01 -2.05 8.00 -1.26 -2.13 116.55 116.05 2xdn n ASP 183 Ca 0.09 -2.01 0.09 0.00 0.71 0.00 0.00 54.79 53.67 2xdn n ASP 183 Cb 0.09 -0.17 -0.14 0.00 -0.02 0.00 0.00 41.12 40.88 2xdn n ASP 183 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2xdn n SER 184 N 0.18 0.75 -3.92 -2.24 3.41 -0.97 -4.89 113.62 105.95 2xdn n SER 184 Ca 0.08 -0.12 -0.30 0.00 -0.26 0.00 0.00 58.87 58.27 2xdn n SER 184 Cb 0.21 1.74 -0.15 0.00 -0.26 0.00 0.00 64.21 65.75 2xdn n SER 184 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2xdn s VAL 185 N -3.22 1.56 -1.03 -3.33 1.01 -0.91 -5.01 120.40 109.48 2xdn s VAL 185 Ca -0.05 -1.49 -0.16 0.00 0.00 0.00 0.00 61.98 60.27 2xdn s VAL 185 Cb 0.12 -1.96 -0.09 0.00 0.00 0.00 0.00 36.38 34.46 2xdn s VAL 185 CO 0.77 -0.32 2.11 -0.67 0.00 0.00 0.00 175.10 176.99 2xdn n ASP 186 N 4.62 3.72 -0.23 3.32 2.03 -1.26 -4.68 116.55 124.07 2xdn n ASP 186 Ca -0.07 -2.65 0.03 0.00 0.52 0.00 0.00 54.79 52.63 2xdn n ASP 186 Cb 0.43 -1.27 0.15 0.00 -0.72 0.00 0.00 41.12 39.70 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 11.38 0.02 0.01 -2.67 5.85 -1.93 -0.78 115.31 127.19 2xdn h LEU 187 Ca 0.50 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 59.35 2xdn h LEU 187 Cb 0.54 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2xdn h LEU 187 CO 1.84 -0.00 -0.00 0.25 -0.34 0.00 0.00 178.44 180.18 2xdn h LEU 188 N 0.28 -0.01 -1.83 2.25 5.85 -1.90 -2.39 115.31 117.56 2xdn h LEU 188 Ca 0.37 -0.80 0.02 0.00 0.84 0.00 0.00 57.88 58.31 2xdn h LEU 188 Cb 0.58 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2xdn h LEU 188 CO -0.45 0.81 0.16 1.23 -0.34 0.00 0.00 178.44 179.85 2xdn h GLY 189 N -0.85 0.25 -0.91 3.75 0.00 -1.91 -3.00 103.07 100.39 2xdn h GLY 189 Ca -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 2xdn h GLY 189 CO 0.00 0.08 -0.09 1.22 0.00 0.00 0.00 176.54 177.75 2xdn n ASP 190 N -4.50 2.70 -0.27 0.19 8.00 -0.31 -4.83 116.55 117.53 2xdn n ASP 190 Ca 0.01 -3.30 0.04 0.00 0.71 0.00 0.00 54.79 52.25 2xdn n ASP 190 Cb 0.15 -0.51 0.12 0.00 -0.02 0.00 0.00 41.12 40.87 2xdn n ASP 190 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 2xdn h VAL 191 N 0.80 0.24 -0.24 2.53 -1.51 -1.28 -0.58 116.25 116.21 2xdn h VAL 191 Ca 0.03 -0.01 0.02 0.00 -1.23 0.00 0.00 66.70 65.51 2xdn h VAL 191 Cb 1.23 0.21 -0.02 0.00 -2.13 0.00 0.00 31.29 30.58 2xdn h VAL 191 CO 0.12 0.01 0.12 -0.33 -1.23 0.00 0.00 177.57 176.26 2xdn h GLU 192 N 0.03 0.25 -0.49 5.19 5.08 -1.87 0.62 114.58 123.38 2xdn h GLU 192 Ca 0.40 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.79 2xdn h GLU 192 Cb 0.66 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 2xdn h GLU 192 CO -0.77 0.16 0.24 0.87 -1.00 0.00 0.00 179.01 178.51 2xdn h LYS 193 N 0.25 0.46 -0.30 2.33 1.57 -1.55 0.33 116.57 119.66 2xdn h LYS 193 Ca 0.10 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2xdn h LYS 193 Cb 0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2xdn h LYS 193 CO -0.07 0.30 0.10 -1.49 -0.57 0.00 0.00 179.45 177.72 2xdn h TRP 194 N 0.47 0.48 -0.53 -1.35 4.06 0.29 0.49 115.95 119.86 2xdn h TRP 194 Ca 0.22 -0.05 -0.03 0.00 2.06 0.00 0.00 58.89 61.09 2xdn h TRP 194 Cb 0.13 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.13 2xdn h TRP 194 CO -0.11 0.50 0.23 0.28 -3.56 0.00 0.00 178.44 175.78 2xdn h VAL 195 N 0.33 1.21 -0.10 1.49 2.07 0.37 -3.14 116.25 118.48 2xdn h VAL 195 Ca 0.10 -0.64 -0.16 0.00 0.82 0.00 0.00 66.70 66.82 2xdn h VAL 195 Cb 0.24 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2xdn h VAL 195 CO -0.00 0.25 -0.64 0.44 0.02 0.00 0.00 177.57 177.63 2xdn h ASP 196 N 0.71 0.43 -0.96 0.57 3.32 -0.08 -1.91 116.42 118.49 2xdn h ASP 196 Ca 0.18 -0.26 0.15 0.00 0.02 0.00 0.00 57.03 57.12 2xdn h ASP 196 Cb 0.17 -0.12 -0.09 0.00 0.22 0.00 0.00 39.33 39.50 2xdn h ASP 196 CO -0.02 0.96 0.58 0.74 -1.72 0.00 0.00 179.24 179.77 2xdn h THR 197 N 0.27 0.80 0.06 0.35 2.02 0.02 0.31 112.91 116.74 2xdn h THR 197 Ca -0.01 -0.28 -0.12 0.00 0.77 0.00 0.00 66.41 66.77 2xdn h THR 197 Cb 1.18 -0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2xdn h THR 197 CO 0.11 0.15 -0.50 1.23 0.37 0.00 0.00 175.52 176.88 2xdn h GLY 198 N 0.82 0.25 1.86 2.16 0.00 -1.46 -2.63 103.07 104.07 2xdn h GLY 198 Ca 0.52 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2xdn h GLY 198 CO -0.33 0.50 -0.07 1.41 0.00 0.00 0.00 176.54 178.05 2xdn h LEU 199 N -0.50 0.17 -1.61 3.11 3.38 -1.19 0.26 115.31 118.92 2xdn h LEU 199 Ca -0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2xdn h LEU 199 Cb 1.34 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2xdn h LEU 199 CO 0.09 0.27 0.11 0.44 0.09 0.00 0.00 178.44 179.45 2xdn h ASP 200 N 0.18 0.32 -0.49 -0.43 3.32 -0.38 -1.90 116.42 117.04 2xdn h ASP 200 Ca 0.04 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 2xdn h ASP 200 Cb 0.24 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2xdn h ASP 200 CO 0.01 0.30 -0.03 -0.03 -1.72 0.00 0.00 179.24 177.77 2xdn h MET 201 N 0.37 0.89 -0.11 3.56 4.05 -0.57 -2.70 114.93 120.42 2xdn h MET 201 Ca 0.09 -0.30 -0.16 0.00 -0.28 0.00 0.00 59.70 59.06 2xdn h MET 201 Cb 0.07 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2xdn h MET 201 CO -0.01 0.93 -0.62 -0.07 0.23 0.00 0.00 176.91 177.37 2xdn h LEU 202 N 0.75 0.46 0.00 3.39 3.38 -0.94 -2.53 115.31 119.81 2xdn h LEU 202 Ca 0.14 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2xdn h LEU 202 Cb 0.55 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2xdn h LEU 202 CO 0.03 0.97 -1.14 -2.11 0.09 0.00 0.00 178.44 176.28 2xdn n ARG 203 N -3.89 0.10 0.00 1.13 1.85 -0.84 -4.42 116.66 110.59 2xdn n ARG 203 Ca -0.03 -0.03 0.04 0.00 -1.00 0.00 0.00 57.85 56.83 2xdn n ARG 203 Cb 0.64 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.51 2xdn n ARG 203 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2xdn n LEU 204 N -1.62 0.55 -4.62 2.89 4.77 -1.02 -4.58 117.00 113.37 2xdn n LEU 204 Ca 0.03 -0.56 -0.41 0.00 -0.03 0.00 0.00 56.01 55.03 2xdn n LEU 204 Cb 0.37 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 2xdn n LEU 204 CO 0.43 0.13 0.50 -0.55 -1.33 0.00 0.00 177.39 176.57 2xdn s SER 205 N -1.62 6.65 0.28 -1.43 0.15 -0.95 -4.93 113.70 111.84 2xdn s SER 205 Ca 0.04 0.74 -0.02 0.00 0.70 0.00 0.00 55.95 57.41 2xdn s SER 205 Cb 0.06 -2.38 0.39 0.00 -1.71 0.00 0.00 66.02 62.39 2xdn s SER 205 CO 0.30 -0.48 1.84 -0.65 1.20 0.00 0.00 173.24 175.45 2xdn h PRO 206 N 7.93 0.87 -0.94 5.44 0.11 -1.94 -2.83 132.00 140.65 2xdn h PRO 206 Ca -0.25 -0.16 0.01 0.00 0.11 0.00 0.00 66.00 65.71 2xdn h PRO 206 Cb 1.11 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.03 2xdn h PRO 206 CO 0.83 0.75 0.62 0.00 -0.21 0.00 0.00 178.00 179.99 2xdn h ALA 207 N 1.35 1.34 0.00 -0.75 0.00 -1.97 -2.36 119.26 116.87 2xdn h ALA 207 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2xdn h ALA 207 Cb 0.25 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2xdn h ALA 207 CO -0.01 0.60 0.00 1.28 0.00 0.00 0.00 179.25 181.12 2xdn n LEU 208 N -4.40 0.00 -4.96 0.00 4.77 -1.07 -4.76 117.00 106.59 2xdn n LEU 208 Ca 0.11 0.33 -0.22 0.00 -0.03 0.00 0.00 56.01 56.20 2xdn n LEU 208 Cb 0.03 -0.33 -0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2xdn n LEU 208 CO 0.36 -0.12 0.18 -0.13 -1.33 0.00 0.00 177.39 176.35 2xdn s ARG 209 N -2.67 3.21 0.00 3.23 0.52 -0.89 -1.57 118.95 120.78 2xdn s ARG 209 Ca 0.16 -0.59 0.26 0.00 -0.52 0.00 0.00 55.73 55.04 2xdn s ARG 209 Cb 0.13 -2.67 0.56 0.00 0.52 0.00 0.00 34.95 33.49 2xdn s ARG 209 CO 0.31 -0.03 1.47 1.63 0.02 0.00 0.00 175.30 178.69