#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxo h GLN 3 N 0.00 0.93 -0.02 -2.82 -0.00 -2.01 -0.37 115.11 110.82 3dxo h GLN 3 Ca 0.00 -0.06 -0.13 0.00 -0.00 0.00 0.00 58.65 58.47 3dxo h GLN 3 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 27.48 27.25 3dxo h GLN 3 CO 0.00 0.61 -0.59 0.45 0.00 0.00 0.00 178.83 179.31 3dxo h HIS 4 N 0.95 0.07 -0.11 3.99 3.86 -1.93 -2.57 115.15 119.42 3dxo h HIS 4 Ca 0.43 -0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 59.43 3dxo h HIS 4 Cb 0.38 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 28.84 3dxo h HIS 4 CO -0.00 0.63 -0.64 1.25 0.86 0.00 0.00 177.93 180.03 3dxo h LEU 5 N 0.04 0.75 -0.66 2.43 5.85 -1.62 -2.15 115.31 119.95 3dxo h LEU 5 Ca -0.01 -0.65 0.02 0.00 0.84 0.00 0.00 57.88 58.09 3dxo h LEU 5 Cb 1.05 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 3dxo h LEU 5 CO 0.08 1.28 0.42 0.74 -0.34 0.00 0.00 178.44 180.62 3dxo h THR 6 N 0.28 1.12 -0.65 1.05 2.02 -1.08 0.13 112.91 115.77 3dxo h THR 6 Ca -0.05 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 3dxo h THR 6 Cb 1.28 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3dxo h THR 6 CO 0.13 0.15 0.17 0.40 0.37 0.00 0.00 175.52 176.74 3dxo h ILE 7 N 0.84 1.26 -0.34 3.11 2.04 -1.45 0.16 117.51 123.12 3dxo h ILE 7 Ca 0.26 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 3dxo h ILE 7 Cb -0.03 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3dxo h ILE 7 CO -0.09 0.35 0.14 0.00 0.00 0.00 0.00 178.15 178.55 3dxo h ALA 8 N 1.06 0.45 -0.38 1.87 0.00 -0.94 -1.28 119.26 120.05 3dxo h ALA 8 Ca 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3dxo h ALA 8 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3dxo h ALA 8 CO 0.00 0.05 0.13 1.96 0.00 0.00 0.00 179.25 181.39 3dxo h GLN 9 N 0.41 0.57 -0.74 0.00 4.20 -0.74 -1.10 115.11 117.72 3dxo h GLN 9 Ca 0.11 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3dxo h GLN 9 Cb 0.19 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3dxo h GLN 9 CO -0.01 0.57 0.40 1.15 -0.67 0.00 0.00 178.83 180.27 3dxo h THR 10 N 0.46 1.22 0.01 -0.54 2.02 -0.60 -0.58 112.91 114.90 3dxo h THR 10 Ca 0.12 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 3dxo h THR 10 Cb 0.22 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3dxo h THR 10 CO -0.01 0.25 -0.01 0.22 0.37 0.00 0.00 175.52 176.34 3dxo h TYR 11 N 1.02 -0.02 -0.17 3.16 5.03 -0.97 -2.86 116.97 122.16 3dxo h TYR 11 Ca 0.26 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.49 3dxo h TYR 11 Cb 0.04 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.31 3dxo h TYR 11 CO -0.00 0.15 -0.24 -0.07 -1.32 0.00 0.00 178.16 176.68 3dxo h LEU 12 N -0.18 0.30 -1.35 2.82 3.38 -1.08 -2.64 115.31 116.56 3dxo h LEU 12 Ca -0.00 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3dxo h LEU 12 Cb 0.18 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3dxo h LEU 12 CO 0.00 0.55 0.47 0.00 0.09 0.00 0.00 178.44 179.56 3dxo h ALA 13 N 1.48 1.62 -0.45 1.53 0.00 -0.99 0.25 119.26 122.69 3dxo h ALA 13 Ca 0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3dxo h ALA 13 Cb 0.59 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3dxo h ALA 13 CO 0.04 0.29 -0.20 0.00 0.00 0.00 0.00 179.25 179.38 3dxo h ALA 14 N 1.59 0.78 0.00 0.00 0.00 -1.24 -1.36 119.26 119.03 3dxo h ALA 14 Ca 0.29 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 3dxo h ALA 14 Cb 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3dxo h ALA 14 CO -0.09 0.66 -0.70 -1.49 0.00 0.00 0.00 179.25 177.63 3dxo h TRP 15 N 0.79 0.00 -0.00 0.00 4.06 -1.11 -3.26 115.95 116.43 3dxo h TRP 15 Ca 0.11 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.06 3dxo h TRP 15 Cb 0.75 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.91 3dxo h TRP 15 CO 0.05 0.70 -0.43 0.09 -3.56 0.00 0.00 178.44 175.28 3dxo n ASN 16 N -3.66 0.63 -4.68 -3.49 3.02 -0.04 -4.91 115.26 102.14 3dxo n ASN 16 Ca -0.01 -0.41 -0.42 0.00 -0.03 0.00 0.00 54.58 53.71 3dxo n ASN 16 Cb 0.69 0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 40.05 3dxo n ASN 16 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dxo s GLU 17 N -2.87 4.18 0.13 3.52 2.56 -0.52 -4.91 118.70 120.80 3dxo s GLU 17 Ca 0.15 2.35 -0.10 0.00 0.00 0.00 0.00 54.97 57.37 3dxo s GLU 17 Cb 0.18 -3.79 -0.07 0.00 2.00 0.00 0.00 34.13 32.45 3dxo s GLU 17 CO 0.65 -0.80 1.40 1.49 -0.56 0.00 0.00 175.26 177.43 3dxo h GLU 18 N 9.02 0.79 -5.76 4.30 4.22 -1.90 -3.44 114.58 121.80 3dxo h GLU 18 Ca -0.43 -0.54 -0.59 0.00 0.08 0.00 0.00 59.36 57.87 3dxo h GLU 18 Cb 1.20 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.44 3dxo h GLU 18 CO 0.94 1.17 0.41 0.34 -2.18 0.00 0.00 179.01 179.68 3dxo s ASP 19 N -6.99 6.81 0.31 1.04 -1.08 -1.26 -4.99 116.67 110.51 3dxo s ASP 19 Ca -0.10 1.00 0.02 0.00 -0.52 0.00 0.00 52.55 52.95 3dxo s ASP 19 Cb 0.10 -2.42 0.50 0.00 -1.46 0.00 0.00 42.92 39.64 3dxo s ASP 19 CO 0.89 -0.47 1.83 0.78 0.52 0.00 0.00 175.17 178.71 3dxo h ASN 20 N 7.66 0.59 0.13 -0.34 2.35 -2.00 -2.44 115.58 121.53 3dxo h ASN 20 Ca -0.25 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.38 3dxo h ASN 20 Cb 1.10 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.32 3dxo h ASN 20 CO 0.85 0.66 -0.06 -0.33 -1.65 0.00 0.00 177.43 176.90 3dxo h GLU 21 N 0.59 -0.17 -0.77 0.81 5.08 -1.98 -2.36 114.58 115.77 3dxo h GLU 21 Ca 0.12 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.62 3dxo h GLU 21 Cb 0.38 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 3dxo h GLU 21 CO 0.01 -0.02 0.51 0.00 -1.00 0.00 0.00 179.01 178.51 3dxo h ARG 22 N -0.29 0.53 -0.39 2.33 3.08 -1.93 -1.58 114.38 116.14 3dxo h ARG 22 Ca -0.02 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 3dxo h ARG 22 Cb 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3dxo h ARG 22 CO 0.03 0.35 -0.21 -0.09 -1.07 0.00 0.00 179.97 178.99 3dxo h ARG 23 N 0.55 0.76 -0.60 0.04 2.43 -1.16 0.89 114.38 117.28 3dxo h ARG 23 Ca 0.37 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3dxo h ARG 23 Cb 0.67 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 3dxo h ARG 23 CO -0.13 0.90 0.24 0.00 -1.51 0.00 0.00 179.97 179.47 3dxo h ARG 24 N 0.66 0.90 -0.60 0.20 3.08 -0.78 0.26 114.38 118.10 3dxo h ARG 24 Ca 0.10 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3dxo h ARG 24 Cb 0.71 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 3dxo h ARG 24 CO 0.05 0.76 0.36 1.25 -1.07 0.00 0.00 179.97 181.33 3dxo h HIS 25 N 0.83 0.79 0.01 3.04 2.76 -0.95 0.15 115.15 121.79 3dxo h HIS 25 Ca 0.20 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 3dxo h HIS 25 Cb 0.20 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.90 3dxo h HIS 25 CO 0.01 0.54 -0.01 -0.07 -1.30 0.00 0.00 177.93 177.10 3dxo h LEU 26 N 0.82 -0.02 -0.68 0.26 3.38 -0.43 -0.86 115.31 117.78 3dxo h LEU 26 Ca 0.22 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3dxo h LEU 26 Cb -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3dxo h LEU 26 CO -0.04 0.07 0.38 0.58 0.09 0.00 0.00 178.44 179.52 3dxo h VAL 27 N -0.10 1.21 -0.93 1.22 2.07 -0.83 0.13 116.25 119.01 3dxo h VAL 27 Ca -0.00 -0.50 0.15 0.00 0.82 0.00 0.00 66.70 67.17 3dxo h VAL 27 Cb 0.10 0.31 -0.10 0.00 -1.52 0.00 0.00 31.29 30.08 3dxo h VAL 27 CO 0.00 0.22 0.53 1.23 0.02 0.00 0.00 177.57 179.58 3dxo h GLY 28 N 0.93 1.56 0.12 2.17 0.00 -0.31 0.13 103.07 107.67 3dxo h GLY 28 Ca 0.24 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3dxo h GLY 28 CO -0.04 0.00 -0.02 1.46 0.00 0.00 0.00 176.54 177.95 3dxo h GLN 29 N 0.75 -0.05 0.01 4.80 1.08 -0.19 -3.40 115.11 118.11 3dxo h GLN 29 Ca 0.50 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.46 3dxo h GLN 29 Cb 0.68 0.01 0.02 0.00 -0.05 0.00 0.00 27.48 28.14 3dxo h GLN 29 CO -0.34 0.58 -0.96 0.00 -0.95 0.00 0.00 178.83 177.16 3dxo h ALA 30 N -0.23 0.10 -2.30 3.87 0.00 -0.70 -3.47 119.26 116.53 3dxo h ALA 30 Ca -0.01 -0.67 -0.49 0.00 0.00 0.00 0.00 54.91 53.74 3dxo h ALA 30 Cb 0.65 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3dxo h ALA 30 CO 0.01 0.60 0.11 -1.58 0.00 0.00 0.00 179.25 178.39 3dxo s TRP 31 N -3.25 3.40 0.58 0.00 0.51 0.45 -0.98 118.94 119.65 3dxo s TRP 31 Ca -0.11 1.18 -0.09 0.00 -2.12 0.00 0.00 56.10 54.97 3dxo s TRP 31 Cb 0.06 -2.52 -0.03 0.00 -0.81 0.00 0.00 33.47 30.16 3dxo s TRP 31 CO 0.90 0.02 0.94 0.00 -0.51 0.00 0.00 176.95 178.30 3dxo s ALA 32 N -2.12 3.20 0.11 0.98 0.00 0.18 -4.69 121.76 119.42 3dxo s ALA 32 Ca 0.54 -0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.06 3dxo s ALA 32 Cb -0.10 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 3dxo s ALA 32 CO 0.22 -0.60 1.52 0.93 0.00 0.00 0.00 175.76 177.83 3dxo h GLU 33 N -0.14 0.67 -4.74 0.00 5.08 -1.96 -3.27 114.58 110.22 3dxo h GLU 33 Ca -0.45 -0.25 -0.72 0.00 -1.00 0.00 0.00 59.36 56.95 3dxo h GLU 33 Cb 1.20 -0.04 -0.19 0.00 0.50 0.00 0.00 28.75 30.21 3dxo h GLU 33 CO 0.62 0.82 0.73 -0.80 -1.00 0.00 0.00 179.01 179.38 3dxo s ASN 34 N -6.25 6.71 0.07 1.42 -0.87 -1.26 -4.30 114.94 110.45 3dxo s ASN 34 Ca -0.13 -2.29 0.03 0.00 -1.57 0.00 0.00 52.86 48.90 3dxo s ASN 34 Cb 0.09 -2.36 -0.03 0.00 -0.02 0.00 0.00 41.25 38.93 3dxo s ASN 34 CO 0.80 -0.92 -0.09 0.28 -2.57 0.00 0.00 177.10 174.59 3dxo s THR 35 N 2.01 0.72 -0.04 1.60 -1.32 -1.23 -4.70 115.64 112.69 3dxo s THR 35 Ca 0.31 -1.37 -0.02 0.00 -1.21 0.00 0.00 61.69 59.39 3dxo s THR 35 Cb -0.06 -1.01 0.02 0.00 -1.51 0.00 0.00 72.50 69.94 3dxo s THR 35 CO -0.09 -0.48 0.09 -0.60 -2.21 0.00 0.00 174.62 171.33 3dxo s ARG 36 N -2.24 0.07 0.01 7.08 6.06 -0.96 -1.56 118.95 127.41 3dxo s ARG 36 Ca -0.02 0.17 0.05 0.00 -2.50 0.00 0.00 55.73 53.44 3dxo s ARG 36 Cb -0.06 -0.04 -0.02 0.00 0.06 0.00 0.00 34.95 34.90 3dxo s ARG 36 CO -0.00 -0.06 -0.17 -0.47 -2.50 0.00 0.00 175.30 172.10 3dxo s TYR 37 N 0.40 1.49 -0.22 5.12 6.14 -0.00 -1.05 117.35 129.23 3dxo s TYR 37 Ca -0.03 -0.31 -0.14 0.00 0.64 0.00 0.00 57.07 57.23 3dxo s TYR 37 Cb -0.04 -0.93 0.07 0.00 0.42 0.00 0.00 41.96 41.48 3dxo s TYR 37 CO -0.02 0.01 0.55 0.54 0.64 0.00 0.00 175.55 177.28 3dxo s VAL 38 N -0.58 -0.01 0.16 3.14 0.11 -0.86 -1.71 120.40 120.65 3dxo s VAL 38 Ca 0.06 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.17 3dxo s VAL 38 Cb -0.07 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 33.98 3dxo s VAL 38 CO 0.00 0.02 0.09 -0.90 -3.33 0.00 0.00 175.10 170.98 3dxo n ASP 39 N 3.94 0.31 0.20 3.54 5.68 -1.26 -0.71 116.55 128.24 3dxo n ASP 39 Ca -0.20 -1.93 0.14 0.00 -0.50 0.00 0.00 54.79 52.30 3dxo n ASP 39 Cb 0.57 0.59 0.60 0.00 -1.14 0.00 0.00 41.12 41.74 3dxo n ASP 39 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 3dxo h PRO 40 N 0.00 0.00 -0.00 0.11 0.11 -1.94 -3.45 132.00 126.83 3dxo h PRO 40 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3dxo h PRO 40 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3dxo h PRO 40 CO 0.18 0.00 -0.47 1.28 -0.21 0.00 0.00 178.00 178.77 3dxo n LEU 41 N -2.60 0.81 -3.57 2.35 4.77 -1.26 -5.17 117.00 112.33 3dxo n LEU 41 Ca 0.01 -0.58 -0.06 0.00 -0.03 0.00 0.00 56.01 55.35 3dxo n LEU 41 Cb 0.25 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3dxo n LEU 41 CO 0.22 0.18 0.89 0.00 -1.33 0.00 0.00 177.39 177.36 3dxo s GLN 43 N -1.96 0.47 0.02 3.23 -2.07 -1.26 -5.22 119.66 112.87 3dxo s GLN 43 Ca 0.06 -0.09 -0.27 0.00 -1.82 0.00 0.00 55.36 53.24 3dxo s GLN 43 Cb 0.09 0.22 0.09 0.00 -1.09 0.00 0.00 33.01 32.32 3dxo s GLN 43 CO 0.44 -0.19 0.79 0.20 -1.32 0.00 0.00 175.29 175.21 3dxo s GLY 44 N -1.89 -0.51 -0.05 2.60 0.00 -0.70 -4.98 107.32 101.80 3dxo s GLY 44 Ca 0.06 1.00 -0.05 0.00 0.00 0.00 0.00 44.72 45.73 3dxo s GLY 44 CO -0.05 0.43 0.13 -1.83 0.00 0.00 0.00 173.10 171.78 3dxo s GLU 45 N -2.87 0.18 0.00 2.90 -1.05 -1.26 -0.82 118.70 115.77 3dxo s GLU 45 Ca 0.01 0.14 0.00 0.00 -0.15 0.00 0.00 54.97 54.97 3dxo s GLU 45 Cb -0.01 0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 3dxo s GLU 45 CO -0.07 -0.02 0.00 0.41 0.95 0.00 0.00 175.26 176.53 3dxo n GLY 46 N 2.90 -0.54 0.19 -3.83 0.00 -0.60 -3.76 105.19 99.55 3dxo n GLY 46 Ca -0.13 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.25 3dxo n GLY 46 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3dxo h GLN 47 N 0.00 0.37 0.48 1.61 4.20 -1.75 -1.16 115.11 118.86 3dxo h GLN 47 Ca 0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3dxo h GLN 47 Cb 0.00 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3dxo h GLN 47 CO 0.00 0.25 -0.34 1.96 -0.67 0.00 0.00 178.83 180.02 3dxo h GLN 48 N 0.38 -0.77 -0.66 1.46 1.08 -1.96 -1.93 115.11 112.71 3dxo h GLN 48 Ca 0.22 0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.54 3dxo h GLN 48 Cb 0.19 0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 27.74 3dxo h GLN 48 CO -0.20 -0.51 0.35 0.78 -0.95 0.00 0.00 178.83 178.30 3dxo h GLY 49 N -0.80 0.98 0.99 3.46 0.00 -1.60 0.51 103.07 106.61 3dxo h GLY 49 Ca -0.05 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 3dxo h GLY 49 CO 0.02 0.12 -0.14 -2.22 0.00 0.00 0.00 176.54 174.32 3dxo h ILE 50 N 0.63 1.28 -0.84 2.60 2.04 -1.18 -2.78 117.51 119.26 3dxo h ILE 50 Ca 0.31 -1.25 0.04 0.00 1.00 0.00 0.00 64.86 64.96 3dxo h ILE 50 Cb 0.24 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 3dxo h ILE 50 CO -0.21 0.42 0.54 0.00 0.00 0.00 0.00 178.15 178.89 3dxo h ALA 51 N 0.82 1.12 0.00 1.87 0.00 -0.79 -0.86 119.26 121.42 3dxo h ALA 51 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dxo h ALA 51 Cb 0.67 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3dxo h ALA 51 CO 0.05 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3dxo n ALA 52 N -2.34 1.57 0.00 0.00 0.00 0.12 -1.97 120.51 117.88 3dxo n ALA 52 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3dxo n ALA 52 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3dxo n ALA 52 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3dxo n ILE 54 N 0.53 0.00 -0.24 0.00 5.41 -0.33 -0.61 119.36 124.12 3dxo n ILE 54 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 3dxo n ILE 54 Cb 0.10 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 39.09 3dxo n ILE 54 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3dxo h GLU 55 N 0.00 0.84 -0.46 0.38 4.81 -1.65 -0.83 114.58 117.67 3dxo h GLU 55 Ca 0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3dxo h GLU 55 Cb 0.00 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 3dxo h GLU 55 CO 0.00 0.56 0.19 0.00 -0.73 0.00 0.00 179.01 179.02 3dxo h ALA 56 N 1.27 0.59 -0.33 2.92 0.00 -1.14 -1.66 119.26 120.93 3dxo h ALA 56 Ca 0.26 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3dxo h ALA 56 Cb -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3dxo h ALA 56 CO -0.09 0.20 0.17 0.00 0.00 0.00 0.00 179.25 179.53 3dxo h ALA 57 N 1.03 0.40 -0.39 0.00 0.00 -1.73 -2.50 119.26 116.07 3dxo h ALA 57 Ca 0.15 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3dxo h ALA 57 Cb 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3dxo h ALA 57 CO -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 179.25 179.02 3dxo h ARG 58 N 0.34 0.62 -0.11 0.00 3.08 -1.02 -2.28 114.38 115.01 3dxo h ARG 58 Ca 0.13 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3dxo h ARG 58 Cb 0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3dxo h ARG 58 CO -0.09 0.65 -0.07 1.96 -1.07 0.00 0.00 179.97 181.35 3dxo h GLN 59 N 0.59 0.16 0.00 0.04 4.20 -0.87 -1.98 115.11 117.25 3dxo h GLN 59 Ca 0.12 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 3dxo h GLN 59 Cb 0.38 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3dxo h GLN 59 CO 0.01 0.24 -0.49 0.87 -0.67 0.00 0.00 178.83 178.79 3dxo h LYS 60 N 0.16 0.00 -2.22 1.46 1.57 -1.11 -3.36 116.57 113.07 3dxo h LYS 60 Ca 0.04 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.25 3dxo h LYS 60 Cb 0.23 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.12 3dxo h LYS 60 CO 0.01 0.49 -0.76 1.19 -0.57 0.00 0.00 179.45 179.82 3dxo n PHE 61 N -3.34 3.15 -2.00 -1.35 3.01 -0.78 -5.09 117.46 111.05 3dxo n PHE 61 Ca 0.01 -3.97 -0.41 0.00 1.01 0.00 0.00 57.45 54.09 3dxo n PHE 61 Cb 0.67 -0.48 -0.02 0.00 -0.01 0.00 0.00 39.48 39.64 3dxo n PHE 61 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3dxo s PRO 62 N -3.12 4.26 0.00 -1.08 0.04 -0.98 -2.03 135.00 132.09 3dxo s PRO 62 Ca 0.46 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.82 3dxo s PRO 62 Cb 0.28 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.72 3dxo s PRO 62 CO -0.12 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 176.91 3dxo n GLY 63 N 2.10 2.53 3.80 0.56 0.00 -1.26 -4.83 105.19 108.09 3dxo n GLY 63 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3dxo n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dxo s TYR 64 N -2.18 2.93 0.05 1.61 1.51 -0.86 -3.92 117.35 116.49 3dxo s TYR 64 Ca 0.00 1.49 0.01 0.00 -1.01 0.00 0.00 57.07 57.56 3dxo s TYR 64 Cb 0.00 -2.99 -0.03 0.00 -0.11 0.00 0.00 41.96 38.83 3dxo s TYR 64 CO 0.00 -1.31 -0.05 1.03 -1.11 0.00 0.00 175.55 174.11 3dxo s ARG 65 N -4.51 0.58 -0.23 -0.62 0.52 -0.46 -4.97 118.95 109.26 3dxo s ARG 65 Ca 0.62 -0.99 -0.04 0.00 -0.52 0.00 0.00 55.73 54.80 3dxo s ARG 65 Cb -0.16 -0.05 -0.01 0.00 0.52 0.00 0.00 34.95 35.25 3dxo s ARG 65 CO 0.46 -0.03 -0.03 -0.06 0.02 0.00 0.00 175.30 175.66 3dxo s PHE 66 N -2.60 2.99 -0.06 -0.53 0.40 -1.26 -0.11 117.98 116.81 3dxo s PHE 66 Ca -0.02 -0.96 0.05 0.00 -0.60 0.00 0.00 56.93 55.40 3dxo s PHE 66 Cb -0.02 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.38 3dxo s PHE 66 CO -0.04 -0.55 -0.21 0.08 0.70 0.00 0.00 175.22 175.20 3dxo s VAL 67 N 1.48 2.46 0.45 -0.44 1.01 -0.32 -4.92 120.40 120.12 3dxo s VAL 67 Ca 0.05 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 3dxo s VAL 67 Cb -0.15 -1.93 -0.08 0.00 0.00 0.00 0.00 36.38 34.22 3dxo s VAL 67 CO -0.03 0.57 1.38 -0.22 0.00 0.00 0.00 175.10 176.80 3dxo s LEU 68 N -0.26 4.11 -0.04 3.92 2.96 -1.26 0.00 118.68 128.11 3dxo s LEU 68 Ca 0.00 2.81 0.04 0.00 -0.22 0.00 0.00 54.13 56.76 3dxo s LEU 68 Cb -0.13 -3.97 -0.00 0.00 0.50 0.00 0.00 46.19 42.59 3dxo s LEU 68 CO 0.03 -1.12 -0.16 0.00 -1.32 0.00 0.00 176.35 173.79 3dxo s ALA 69 N -1.24 1.39 0.03 5.97 0.00 0.18 -4.74 121.76 123.34 3dxo s ALA 69 Ca 0.61 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3dxo s ALA 69 Cb -0.41 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.25 3dxo s ALA 69 CO 0.53 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.95 3dxo n GLY 70 N 3.14 -1.36 3.54 0.00 0.00 -1.26 -3.93 105.19 105.32 3dxo n GLY 70 Ca -0.18 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 3dxo n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dxo s THR 71 N -0.23 4.94 0.66 2.61 2.01 -1.26 -4.93 115.64 119.44 3dxo s THR 71 Ca 0.00 0.04 -0.17 0.00 0.31 0.00 0.00 61.69 61.87 3dxo s THR 71 Cb 0.00 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.16 3dxo s THR 71 CO 0.00 0.29 1.04 -2.65 -0.69 0.00 0.00 174.62 172.61 3dxo n PRO 72 N 4.98 0.78 -1.96 4.92 -0.02 -1.26 -4.94 135.00 137.50 3dxo n PRO 72 Ca -0.15 0.32 -0.02 0.00 -2.02 0.00 0.00 63.50 61.63 3dxo n PRO 72 Cb 0.52 -2.27 -0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3dxo n PRO 72 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3dxo n ASP 73 N -1.41 -0.10 0.00 2.55 5.75 -0.47 -4.78 116.55 118.09 3dxo n ASP 73 Ca 0.14 -1.19 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 3dxo n ASP 73 Cb 0.48 0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 3dxo n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dxo n GLY 74 N -0.06 -0.58 3.60 6.12 0.00 -1.26 -0.71 105.19 112.30 3dxo n GLY 74 Ca 0.00 -1.24 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 3dxo n GLY 74 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3dxo s HIS 75 N -2.96 -0.30 0.00 1.61 -3.43 -0.52 -5.02 115.29 104.67 3dxo s HIS 75 Ca 0.00 0.52 0.00 0.00 -0.80 0.00 0.00 55.06 54.78 3dxo s HIS 75 Cb 0.00 0.46 0.00 0.00 -1.43 0.00 0.00 32.58 31.61 3dxo s HIS 75 CO 0.00 -0.26 0.00 0.41 -2.00 0.00 0.00 174.74 172.89 3dxo n GLY 76 N 0.78 2.87 0.71 -1.38 0.00 -1.26 -0.27 105.19 106.65 3dxo n GLY 76 Ca -0.08 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.83 3dxo n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dxo n ASN 77 N 2.10 2.03 -4.76 1.61 6.94 -1.26 -4.87 115.26 117.04 3dxo n ASN 77 Ca 0.00 -2.11 -0.36 0.00 -0.02 0.00 0.00 54.58 52.10 3dxo n ASN 77 Cb 0.00 -0.31 -0.08 0.00 -2.36 0.00 0.00 39.78 37.03 3dxo n ASN 77 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 3dxo s PHE 78 N -1.63 3.43 -0.04 -2.53 0.08 0.63 -1.65 117.98 116.27 3dxo s PHE 78 Ca 0.21 0.34 0.05 0.00 0.12 0.00 0.00 56.93 57.65 3dxo s PHE 78 Cb 0.13 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 3dxo s PHE 78 CO 0.12 0.45 -0.18 0.99 -0.10 0.00 0.00 175.22 176.51 3dxo s THR 79 N -0.28 1.46 -0.03 0.64 2.01 -0.65 -1.44 115.64 117.34 3dxo s THR 79 Ca 0.10 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.43 3dxo s THR 79 Cb -0.12 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 3dxo s THR 79 CO 0.01 0.42 -0.24 -0.60 -0.69 0.00 0.00 174.62 173.52 3dxo s ARG 80 N -0.07 2.12 0.17 4.92 3.52 0.11 -0.68 118.95 129.05 3dxo s ARG 80 Ca -0.02 -0.85 -0.19 0.00 -0.13 0.00 0.00 55.73 54.54 3dxo s ARG 80 Cb -0.11 -1.94 0.04 0.00 -1.56 0.00 0.00 34.95 31.39 3dxo s ARG 80 CO 0.02 0.45 0.54 -0.59 -0.81 0.00 0.00 175.30 174.90 3dxo s PHE 81 N -0.38 -0.30 0.23 5.12 -0.12 -0.97 -1.36 117.98 120.20 3dxo s PHE 81 Ca 0.04 0.00 0.10 0.00 -0.05 0.00 0.00 56.93 57.02 3dxo s PHE 81 Cb -0.11 0.45 -0.05 0.00 -0.63 0.00 0.00 43.02 42.68 3dxo s PHE 81 CO 0.01 -0.87 -0.17 -1.12 -0.05 0.00 0.00 175.22 173.02 3dxo s SER 82 N -2.81 3.02 0.11 1.98 0.01 -1.25 -0.81 113.70 113.94 3dxo s SER 82 Ca 0.05 -1.01 -0.08 0.00 1.31 0.00 0.00 55.95 56.22 3dxo s SER 82 Cb -0.01 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 3dxo s SER 82 CO -0.08 -0.07 0.21 -1.66 0.41 0.00 0.00 173.24 172.06 3dxo s TRP 83 N -2.67 0.25 -0.01 2.43 1.48 -0.82 -0.65 118.94 118.95 3dxo s TRP 83 Ca 0.25 -0.66 0.07 0.00 -1.06 0.00 0.00 56.10 54.70 3dxo s TRP 83 Cb -0.03 -0.07 -0.03 0.00 -1.16 0.00 0.00 33.47 32.18 3dxo s TRP 83 CO 0.10 -0.59 -0.21 1.03 -4.06 0.00 0.00 176.95 173.22 3dxo s ARG 84 N -3.90 2.18 -0.28 3.25 1.81 0.10 -1.56 118.95 120.56 3dxo s ARG 84 Ca 0.09 -0.89 -0.20 0.00 -1.72 0.00 0.00 55.73 53.01 3dxo s ARG 84 Cb 0.05 -2.16 -0.02 0.00 -0.45 0.00 0.00 34.95 32.37 3dxo s ARG 84 CO -0.07 0.57 0.61 -1.17 -0.68 0.00 0.00 175.30 174.55 3dxo s LEU 85 N -0.88 4.09 -0.17 2.53 2.96 0.13 -1.17 118.68 126.17 3dxo s LEU 85 Ca 0.12 0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 54.53 3dxo s LEU 85 Cb -0.10 -2.80 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 3dxo s LEU 85 CO 0.01 -0.40 0.02 -0.63 -1.32 0.00 0.00 176.35 174.03 3dxo s ILE 86 N 2.50 4.40 0.69 6.68 -1.09 0.84 -1.47 121.20 133.75 3dxo s ILE 86 Ca 0.25 -0.17 -0.14 0.00 -2.23 0.00 0.00 60.65 58.36 3dxo s ILE 86 Cb -0.15 -2.96 0.01 0.00 -1.58 0.00 0.00 42.46 37.78 3dxo s ILE 86 CO 0.10 0.47 1.10 -0.55 -1.23 0.00 0.00 174.94 174.83 3dxo s SER 87 N 0.39 5.00 0.43 3.58 0.15 0.93 -1.35 113.70 122.82 3dxo s SER 87 Ca 0.00 1.93 0.19 0.00 0.70 0.00 0.00 55.95 58.77 3dxo s SER 87 Cb -0.13 -2.54 1.13 0.00 -1.71 0.00 0.00 66.02 62.77 3dxo s SER 87 CO 0.01 -1.70 1.84 -0.65 1.20 0.00 0.00 173.24 173.94 3dxo h PRO 88 N -0.28 0.35 -0.08 5.44 0.11 -1.89 0.32 132.00 135.98 3dxo h PRO 88 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3dxo h PRO 88 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3dxo h PRO 88 CO 0.54 0.23 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 3dxo n ASP 89 N -4.50 0.70 0.00 -2.05 5.68 -1.26 -4.92 116.55 110.20 3dxo n ASP 89 Ca 0.21 -1.63 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 3dxo n ASP 89 Cb 0.77 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.70 3dxo n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dxo n GLY 90 N 0.89 0.77 3.79 6.12 0.00 0.11 -5.06 105.19 111.81 3dxo n GLY 90 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3dxo n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dxo s ASP 91 N -2.09 7.27 -0.43 1.61 1.01 -1.25 -4.75 116.67 118.03 3dxo s ASP 91 Ca 0.00 1.65 -0.26 0.00 0.71 0.00 0.00 52.55 54.66 3dxo s ASP 91 Cb 0.00 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.45 3dxo s ASP 91 CO 0.00 0.04 0.93 -0.62 0.21 0.00 0.00 175.17 175.74 3dxo s ASP 92 N -1.50 6.55 -0.00 0.27 -1.08 -1.26 -0.05 116.67 119.60 3dxo s ASP 92 Ca 0.44 0.27 0.14 0.00 -0.52 0.00 0.00 52.55 52.88 3dxo s ASP 92 Cb -0.19 -2.46 -0.17 0.00 -1.46 0.00 0.00 42.92 38.64 3dxo s ASP 92 CO 0.24 -1.00 0.55 1.33 0.52 0.00 0.00 175.17 176.81 3dxo n VAL 93 N 6.31 0.00 -1.26 1.11 0.24 -0.54 -4.99 118.33 119.19 3dxo n VAL 93 Ca 0.07 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 3dxo n VAL 93 Cb 0.48 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 3dxo n VAL 93 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dxo n ALA 94 N -1.45 0.00 -3.77 2.33 0.00 -1.24 -4.99 120.51 111.39 3dxo n ALA 94 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.42 3dxo n ALA 94 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.69 3dxo n ALA 94 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dxo s GLY 95 N 0.00 -0.19 0.34 0.00 0.00 -0.91 0.18 107.32 106.73 3dxo s GLY 95 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.80 3dxo s GLY 95 CO 0.00 0.08 0.37 -0.32 0.00 0.00 0.00 173.10 173.23 3dxo s GLY 96 N -2.96 2.00 -0.01 0.20 0.00 -0.60 0.71 107.32 106.65 3dxo s GLY 96 Ca 0.13 -1.85 -0.02 0.00 0.00 0.00 0.00 44.72 42.98 3dxo s GLY 96 CO 0.03 -1.27 0.04 -1.59 0.00 0.00 0.00 173.10 170.31 3dxo s THR 97 N -3.24 0.01 0.08 0.90 2.01 -0.68 -1.94 115.64 112.78 3dxo s THR 97 Ca 0.36 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.32 3dxo s THR 97 Cb 0.01 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.39 3dxo s THR 97 CO 0.25 -0.05 -0.13 -1.81 -0.69 0.00 0.00 174.62 172.19 3dxo s ASP 98 N -0.13 1.64 -0.15 3.53 1.01 0.01 -0.73 116.67 121.85 3dxo s ASP 98 Ca -0.02 -0.68 0.02 0.00 0.71 0.00 0.00 52.55 52.58 3dxo s ASP 98 Cb -0.01 -0.04 0.01 0.00 1.01 0.00 0.00 42.92 43.89 3dxo s ASP 98 CO 0.00 -0.13 -0.20 -0.69 0.21 0.00 0.00 175.17 174.36 3dxo s VAL 99 N -1.64 1.99 -0.03 -1.27 1.01 -0.58 -2.29 120.40 117.58 3dxo s VAL 99 Ca 0.01 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.12 3dxo s VAL 99 Cb -0.08 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 3dxo s VAL 99 CO 0.02 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 174.75 3dxo s VAL 100 N 1.01 2.45 -0.06 2.92 1.01 0.15 -1.62 120.40 126.26 3dxo s VAL 100 Ca -0.03 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.06 3dxo s VAL 100 Cb -0.15 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 3dxo s VAL 100 CO -0.06 0.58 -0.24 -0.44 0.00 0.00 0.00 175.10 174.95 3dxo s SER 101 N -0.62 3.17 -0.05 3.32 0.01 0.35 -1.64 113.70 118.24 3dxo s SER 101 Ca 0.09 -0.48 -0.04 0.00 1.31 0.00 0.00 55.95 56.84 3dxo s SER 101 Cb -0.11 -0.86 -0.04 0.00 0.21 0.00 0.00 66.02 65.23 3dxo s SER 101 CO -0.00 0.25 0.14 -0.76 0.41 0.00 0.00 173.24 173.27 3dxo s LEU 102 N -0.19 4.22 0.81 2.44 1.02 -0.66 -1.12 118.68 125.20 3dxo s LEU 102 Ca -0.03 0.33 -0.10 0.00 0.02 0.00 0.00 54.13 54.36 3dxo s LEU 102 Cb -0.14 -2.31 0.12 0.00 0.02 0.00 0.00 46.19 43.88 3dxo s LEU 102 CO 0.03 0.32 1.14 0.54 0.02 0.00 0.00 176.35 178.41 3dxo s ASN 103 N -1.53 4.17 0.00 2.29 2.20 0.11 -4.84 114.94 117.33 3dxo s ASN 103 Ca 0.21 0.36 0.04 0.00 -0.94 0.00 0.00 52.86 52.53 3dxo s ASN 103 Cb -0.12 -0.76 0.23 0.00 -2.00 0.00 0.00 41.25 38.60 3dxo s ASN 103 CO 0.12 -2.05 0.74 0.35 -2.94 0.00 0.00 177.10 173.32 3dxo n THR 104 N -3.25 0.11 -1.09 0.54 -2.24 -1.26 -1.43 114.28 105.66 3dxo n THR 104 Ca 0.11 0.03 0.08 0.00 -2.27 0.00 0.00 64.05 62.00 3dxo n THR 104 Cb 0.60 -0.97 0.21 0.00 -2.10 0.00 0.00 70.33 68.08 3dxo n THR 104 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dxo n GLU 105 N -1.03 2.20 -0.92 -0.78 1.02 -1.26 -4.98 120.64 114.89 3dxo n GLU 105 Ca 0.03 -2.81 0.00 0.00 -0.02 0.00 0.00 57.16 54.36 3dxo n GLU 105 Cb 0.02 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 3dxo n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dxo n GLY 106 N -0.91 0.54 3.80 0.62 0.00 -0.51 -5.02 105.19 103.70 3dxo n GLY 106 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 3dxo n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dxo s ARG 107 N -0.43 3.06 -0.09 1.61 0.52 -1.26 -4.82 118.95 117.54 3dxo s ARG 107 Ca 0.00 -0.55 -0.29 0.00 -0.52 0.00 0.00 55.73 54.36 3dxo s ARG 107 Cb 0.00 -2.84 -0.05 0.00 0.52 0.00 0.00 34.95 32.58 3dxo s ARG 107 CO 0.00 0.61 1.68 0.42 0.02 0.00 0.00 175.30 178.03 3dxo s ILE 108 N -1.33 3.56 -0.33 1.52 1.01 -0.15 -0.71 121.20 124.77 3dxo s ILE 108 Ca 0.27 0.67 0.09 0.00 0.00 0.00 0.00 60.65 61.69 3dxo s ILE 108 Cb -0.12 -3.48 -0.11 0.00 0.01 0.00 0.00 42.46 38.76 3dxo s ILE 108 CO 0.19 -0.11 0.35 -0.90 0.00 0.00 0.00 174.94 174.47 3dxo n ASP 109 N 7.62 1.02 -3.64 3.58 5.68 -0.28 0.47 116.55 131.00 3dxo n ASP 109 Ca 0.18 -0.54 -0.08 0.00 -0.50 0.00 0.00 54.79 53.85 3dxo n ASP 109 Cb 0.43 1.11 -0.07 0.00 -1.14 0.00 0.00 41.12 41.45 3dxo n ASP 109 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 3dxo s ASN 110 N -2.16 -0.88 -0.03 -1.12 2.47 -1.18 -2.28 114.94 109.76 3dxo s ASN 110 Ca 0.02 1.45 0.01 0.00 0.42 0.00 0.00 52.86 54.76 3dxo s ASN 110 Cb 0.07 1.38 0.01 0.00 -1.45 0.00 0.00 41.25 41.26 3dxo s ASN 110 CO 0.38 -0.23 -0.04 -0.69 -3.72 0.00 0.00 177.10 172.80 3dxo s VAL 111 N 1.40 0.44 -0.15 -5.21 1.01 -0.21 -0.50 120.40 117.18 3dxo s VAL 111 Ca -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3dxo s VAL 111 Cb -0.05 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.91 3dxo s VAL 111 CO -0.16 0.18 -0.11 -0.69 0.00 0.00 0.00 175.10 174.31 3dxo s VAL 112 N 0.58 1.42 0.20 2.92 1.01 -0.64 -2.02 120.40 123.88 3dxo s VAL 112 Ca -0.07 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.36 3dxo s VAL 112 Cb -0.10 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3dxo s VAL 112 CO -0.00 0.37 0.15 -0.83 0.00 0.00 0.00 175.10 174.79 3dxo s GLY 113 N 1.54 1.59 0.10 4.51 0.00 0.11 -1.53 107.32 113.63 3dxo s GLY 113 Ca 0.04 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.45 3dxo s GLY 113 CO -0.10 -1.34 -0.05 -1.36 0.00 0.00 0.00 173.10 170.25 3dxo s PHE 114 N -1.93 0.86 -0.02 1.90 0.40 0.09 -4.11 117.98 115.16 3dxo s PHE 114 Ca 0.32 -0.96 -0.01 0.00 -0.60 0.00 0.00 56.93 55.68 3dxo s PHE 114 Cb -0.09 -0.51 -0.04 0.00 0.51 0.00 0.00 43.02 42.89 3dxo s PHE 114 CO 0.24 -0.20 0.08 -0.51 0.70 0.00 0.00 175.22 175.52 3dxo s LEU 115 N -3.03 3.90 0.06 -0.37 1.43 -1.26 -1.69 118.68 117.71 3dxo s LEU 115 Ca 0.12 0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.46 3dxo s LEU 115 Cb 0.06 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 3dxo s LEU 115 CO -0.05 0.30 -0.17 -1.81 0.23 0.00 0.00 176.35 174.85 3dxo s ASP 116 N -1.57 2.08 0.00 2.29 1.01 0.22 -4.90 116.67 115.80 3dxo s ASP 116 Ca 0.21 -0.56 0.24 0.00 0.71 0.00 0.00 52.55 53.15 3dxo s ASP 116 Cb -0.12 -0.13 0.29 0.00 1.01 0.00 0.00 42.92 43.98 3dxo s ASP 116 CO 0.12 0.05 1.32 0.61 0.21 0.00 0.00 175.17 177.47