#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dof n VAL 3 N 0.00 0.61 -3.00 1.59 0.31 -1.26 -5.00 118.33 111.58 1dof n VAL 3 Ca 0.00 -0.29 -0.40 0.00 -0.01 0.00 0.00 64.34 63.64 1dof n VAL 3 Cb 0.00 -0.84 -0.05 0.00 -0.91 0.00 0.00 33.84 32.04 1dof n VAL 3 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1dof s SER 4 N -4.63 7.15 0.56 4.52 0.15 -1.26 -4.94 113.70 115.25 1dof s SER 4 Ca -0.10 1.38 0.36 0.00 0.70 0.00 0.00 55.95 58.29 1dof s SER 4 Cb 0.03 -2.45 1.77 0.00 -1.71 0.00 0.00 66.02 63.66 1dof s SER 4 CO 0.30 -0.02 2.10 1.55 1.20 0.00 0.00 173.24 178.36 1dof h PRO 5 N 5.96 0.00 0.00 5.44 0.13 -1.97 -1.85 132.00 139.72 1dof h PRO 5 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1dof h PRO 5 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1dof h PRO 5 CO 0.72 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.68 1dof n PHE 6 N -2.94 0.00 0.76 1.56 3.01 -1.26 -0.49 117.46 118.11 1dof n PHE 6 Ca -0.01 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.58 1dof n PHE 6 Cb 0.18 -0.39 0.50 0.00 -0.01 0.00 0.00 39.48 39.76 1dof n PHE 6 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1dof n ASP 7 N -1.39 0.31 0.00 4.37 9.92 -0.69 -4.71 116.55 124.37 1dof n ASP 7 Ca 0.08 0.54 0.00 0.00 -0.53 0.00 0.00 54.79 54.87 1dof n ASP 7 Cb 0.20 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 1dof n ASP 7 CO 0.00 0.00 0.00 -2.67 0.13 0.00 0.00 177.20 174.66 1dof n TRP 8 N -1.80 -0.71 -0.03 1.24 4.27 -1.11 -5.03 117.44 114.27 1dof n TRP 8 Ca 0.06 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.51 1dof n TRP 8 Cb 0.34 0.14 -0.12 0.00 -1.36 0.00 0.00 31.31 30.31 1dof n TRP 8 CO 0.00 0.00 0.00 -0.09 -2.29 0.00 0.00 177.69 175.31 1dof h ARG 9 N 0.00 0.17 -5.30 -2.67 2.43 -1.06 -3.45 114.38 104.50 1dof h ARG 9 Ca 0.00 -0.19 -0.64 0.00 -0.81 0.00 0.00 59.98 58.34 1dof h ARG 9 Cb 0.00 0.05 -0.22 0.00 -0.42 0.00 0.00 29.97 29.38 1dof h ARG 9 CO 0.00 0.93 -0.68 0.71 -1.51 0.00 0.00 179.97 179.43 1dof s TYR 10 N -3.08 3.00 0.00 2.20 4.12 -0.07 -5.00 117.35 118.52 1dof s TYR 10 Ca -0.16 -0.34 0.00 0.00 0.02 0.00 0.00 57.07 56.59 1dof s TYR 10 Cb 0.01 -1.95 0.00 0.00 -1.52 0.00 0.00 41.96 38.50 1dof s TYR 10 CO 0.74 -0.06 0.00 0.41 0.02 0.00 0.00 175.55 176.67 1dof n GLY 11 N 3.53 2.73 3.90 0.71 0.00 -1.25 -4.46 105.19 110.36 1dof n GLY 11 Ca -0.17 -1.64 -0.28 0.00 0.00 0.00 0.00 46.02 43.92 1dof n GLY 11 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dof s SER 12 N 0.00 5.84 0.37 1.61 1.04 -1.26 -4.91 113.70 116.39 1dof s SER 12 Ca 0.00 0.99 0.09 0.00 0.48 0.00 0.00 55.95 57.51 1dof s SER 12 Cb 0.00 -2.03 0.72 0.00 0.10 0.00 0.00 66.02 64.81 1dof s SER 12 CO 0.00 -0.98 1.88 1.05 0.98 0.00 0.00 173.24 176.17 1dof h GLU 13 N -0.22 0.24 -0.93 4.02 9.09 -1.97 -0.71 114.58 124.10 1dof h GLU 13 Ca -0.45 -0.06 0.10 0.00 0.05 0.00 0.00 59.36 58.99 1dof h GLU 13 Cb 1.23 -0.03 -0.07 0.00 -1.65 0.00 0.00 28.75 28.23 1dof h GLU 13 CO 0.62 0.42 0.60 1.49 0.05 0.00 0.00 179.01 182.19 1dof h GLU 14 N 0.22 0.93 0.10 1.06 4.81 -2.00 -1.28 114.58 118.42 1dof h GLU 14 Ca 0.04 -0.06 -0.33 0.00 -0.13 0.00 0.00 59.36 58.89 1dof h GLU 14 Cb 0.45 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1dof h GLU 14 CO 0.03 0.61 -1.75 0.82 -0.73 0.00 0.00 179.01 177.99 1dof h ILE 15 N 0.96 0.76 -0.94 2.32 1.08 -1.81 -3.38 117.51 116.50 1dof h ILE 15 Ca 0.43 -2.33 0.18 0.00 -0.39 0.00 0.00 64.86 62.75 1dof h ILE 15 Cb 0.38 2.50 -0.08 0.00 -3.07 0.00 0.00 36.82 36.54 1dof h ILE 15 CO -0.19 0.75 0.60 -0.09 -0.69 0.00 0.00 178.15 178.53 1dof h ARG 16 N -0.20 0.61 0.00 2.37 2.43 -0.98 -0.05 114.38 118.57 1dof h ARG 16 Ca -0.39 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1dof h ARG 16 Cb 1.86 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 1dof h ARG 16 CO 0.03 0.40 0.00 2.89 -1.51 0.00 0.00 179.97 181.78 1dof n ARG 17 N -4.60 0.03 0.09 0.20 1.85 -0.50 -1.30 116.66 112.43 1dof n ARG 17 Ca 0.20 0.19 0.13 0.00 -1.00 0.00 0.00 57.85 57.37 1dof n ARG 17 Cb 0.58 -1.55 0.35 0.00 -1.05 0.00 0.00 32.46 30.79 1dof n ARG 17 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1dof n LEU 18 N -1.61 0.79 -0.23 2.89 4.77 -0.03 -4.33 117.00 119.25 1dof n LEU 18 Ca 0.04 0.50 0.05 0.00 -0.03 0.00 0.00 56.01 56.57 1dof n LEU 18 Cb 0.24 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1dof n LEU 18 CO 0.19 -0.15 0.42 0.49 -1.33 0.00 0.00 177.39 177.00 1dof n PHE 19 N -2.22 0.00 -1.49 -1.77 3.01 -0.42 -4.51 117.46 110.06 1dof n PHE 19 Ca 0.05 -0.50 -0.29 0.00 1.01 0.00 0.00 57.45 57.72 1dof n PHE 19 Cb 0.43 -0.09 0.17 0.00 -0.01 0.00 0.00 39.48 39.98 1dof n PHE 19 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1dof s THR 20 N -1.40 1.91 0.17 4.37 -4.23 -1.13 -4.83 115.64 110.50 1dof s THR 20 Ca 0.15 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.53 1dof s THR 20 Cb 0.13 -2.73 0.08 0.00 1.34 0.00 0.00 72.50 71.32 1dof s THR 20 CO 0.01 0.00 1.76 -0.55 -0.54 0.00 0.00 174.62 175.30 1dof h ASN 21 N -1.79 0.77 -0.47 3.99 7.08 -1.96 -2.23 115.58 120.96 1dof h ASN 21 Ca -0.48 -0.13 0.07 0.00 -3.08 0.00 0.00 56.30 52.68 1dof h ASN 21 Cb 1.30 -0.20 -0.06 0.00 -2.08 0.00 0.00 38.32 37.29 1dof h ASN 21 CO 0.51 0.68 0.13 1.05 -2.08 0.00 0.00 177.43 177.72 1dof h GLU 22 N 0.80 0.27 -0.60 4.14 9.09 -1.94 -1.42 114.58 124.92 1dof h GLU 22 Ca 0.20 -0.02 -0.03 0.00 0.05 0.00 0.00 59.36 59.56 1dof h GLU 22 Cb 0.11 -0.06 -0.03 0.00 -1.65 0.00 0.00 28.75 27.12 1dof h GLU 22 CO -0.03 0.18 0.24 0.00 0.05 0.00 0.00 179.01 179.45 1dof h ALA 23 N 1.34 0.78 -0.11 1.06 0.00 -1.72 0.99 119.26 121.59 1dof h ALA 23 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1dof h ALA 23 Cb 0.27 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1dof h ALA 23 CO -0.27 0.39 0.00 0.82 0.00 0.00 0.00 179.25 180.20 1dof h ILE 24 N 0.83 1.25 -0.47 0.00 2.04 -1.20 -0.46 117.51 119.51 1dof h ILE 24 Ca 0.20 -0.80 0.08 0.00 1.00 0.00 0.00 64.86 65.34 1dof h ILE 24 Cb 0.20 1.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 1dof h ILE 24 CO -0.02 0.23 0.05 0.40 0.00 0.00 0.00 178.15 178.82 1dof h ILE 25 N -0.07 0.69 -0.96 -0.67 5.03 -1.11 -0.37 117.51 120.05 1dof h ILE 25 Ca 0.03 -0.06 -0.00 0.00 -0.12 0.00 0.00 64.86 64.71 1dof h ILE 25 Cb 0.35 0.50 -0.05 0.00 -3.03 0.00 0.00 36.82 34.60 1dof h ILE 25 CO 0.01 0.03 0.58 0.78 -0.68 0.00 0.00 178.15 178.87 1dof h ASN 26 N 0.18 1.15 -0.62 1.72 2.35 -0.52 -1.23 115.58 118.59 1dof h ASN 26 Ca 0.24 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1dof h ASN 26 Cb 0.33 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1dof h ASN 26 CO -0.34 0.87 0.06 0.00 -1.65 0.00 0.00 177.43 176.37 1dof h ALA 27 N 1.32 0.91 -0.79 -0.83 0.00 -0.21 -1.29 119.26 118.37 1dof h ALA 27 Ca 0.34 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1dof h ALA 27 Cb -0.07 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.42 1dof h ALA 27 CO -0.07 0.66 0.46 1.88 0.00 0.00 0.00 179.25 182.18 1dof h TYR 28 N 0.99 0.83 -0.23 0.00 0.99 -0.50 -2.26 116.97 116.80 1dof h TYR 28 Ca 0.19 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.88 1dof h TYR 28 Cb 0.48 -0.26 -0.01 0.00 1.00 0.00 0.00 36.73 37.94 1dof h TYR 28 CO 0.03 0.38 -0.15 -0.07 -0.00 0.00 0.00 178.16 178.35 1dof h LEU 29 N 0.80 0.37 -0.77 3.88 3.38 -0.61 -1.82 115.31 120.55 1dof h LEU 29 Ca 0.36 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.30 1dof h LEU 29 Cb 0.27 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1dof h LEU 29 CO -0.21 0.54 0.45 -0.33 0.09 0.00 0.00 178.44 178.99 1dof h GLU 30 N 0.36 0.81 -0.02 1.13 5.08 -0.67 0.11 114.58 121.38 1dof h GLU 30 Ca 0.07 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1dof h GLU 30 Cb 0.47 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1dof h GLU 30 CO 0.03 0.53 -0.02 0.28 -1.00 0.00 0.00 179.01 178.84 1dof h VAL 31 N 0.83 1.38 -0.52 3.13 2.07 -1.26 -1.61 116.25 120.26 1dof h VAL 31 Ca 0.34 -1.15 0.04 0.00 0.82 0.00 0.00 66.70 66.74 1dof h VAL 31 Cb 0.18 2.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 1dof h VAL 31 CO -0.18 0.30 0.29 -0.33 0.02 0.00 0.00 177.57 177.67 1dof h GLU 32 N -0.43 0.54 -0.45 1.57 4.39 -1.12 -0.39 114.58 118.69 1dof h GLU 32 Ca 0.00 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1dof h GLU 32 Cb 0.50 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1dof h GLU 32 CO 0.00 0.36 0.15 0.00 -1.16 0.00 0.00 179.01 178.36 1dof h ARG 33 N 0.56 0.69 -0.52 2.33 3.08 -0.80 0.51 114.38 120.24 1dof h ARG 33 Ca 0.22 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1dof h ARG 33 Cb 0.09 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1dof h ARG 33 CO -0.13 0.66 0.18 0.00 -1.07 0.00 0.00 179.97 179.60 1dof h ALA 34 N 1.00 1.33 0.26 0.04 0.00 -0.98 -1.07 119.26 119.84 1dof h ALA 34 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1dof h ALA 34 Cb 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1dof h ALA 34 CO -0.01 0.49 -0.12 1.25 0.00 0.00 0.00 179.25 180.86 1dof h LEU 35 N 0.75 -0.29 -1.04 0.00 6.46 -0.62 -0.52 115.31 120.04 1dof h LEU 35 Ca 0.18 -0.13 0.04 0.00 -0.12 0.00 0.00 57.88 57.85 1dof h LEU 35 Cb 0.20 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.15 1dof h LEU 35 CO -0.01 -0.04 0.64 0.58 -0.62 0.00 0.00 178.44 178.99 1dof h VAL 36 N -0.54 1.15 -0.35 1.05 2.07 -0.62 -1.93 116.25 117.08 1dof h VAL 36 Ca -0.04 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 1dof h VAL 36 Cb 0.40 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1dof h VAL 36 CO 0.06 0.22 -0.24 0.00 0.02 0.00 0.00 177.57 177.63 1dof h ALA 38 N 0.76 0.97 -0.73 0.00 0.00 -0.85 -0.97 119.26 118.45 1dof h ALA 38 Ca 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1dof h ALA 38 Cb 0.81 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1dof h ALA 38 CO 0.07 0.63 0.36 -0.07 0.00 0.00 0.00 179.25 180.23 1dof h LEU 39 N 0.87 0.95 -0.15 0.00 4.07 -1.11 -0.31 115.31 119.64 1dof h LEU 39 Ca 0.16 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1dof h LEU 39 Cb 0.49 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1dof h LEU 39 CO 0.02 0.81 0.05 -0.08 -1.08 0.00 0.00 178.44 178.17 1dof h GLU 40 N 1.03 0.23 -0.30 1.13 4.81 -0.96 0.70 114.58 121.21 1dof h GLU 40 Ca 0.25 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1dof h GLU 40 Cb 0.11 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1dof h GLU 40 CO -0.03 0.34 0.20 0.93 -0.73 0.00 0.00 179.01 179.72 1dof h GLU 41 N 0.07 0.33 -0.01 1.92 5.08 -0.81 -1.60 114.58 119.56 1dof h GLU 41 Ca 0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1dof h GLU 41 Cb 0.20 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1dof h GLU 41 CO -0.00 0.22 -0.03 1.28 -1.00 0.00 0.00 179.01 179.47 1dof n LEU 42 N -4.49 0.69 0.00 1.33 4.77 -0.16 -4.91 117.00 114.23 1dof n LEU 42 Ca 0.02 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1dof n LEU 42 Cb 0.13 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1dof n LEU 42 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1dof n GLY 43 N 1.14 0.76 0.07 -0.72 0.00 -0.60 -4.94 105.19 100.89 1dof n GLY 43 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 1dof n GLY 43 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1dof h VAL 44 N 0.00 1.43 -3.98 1.61 2.07 -1.12 -3.46 116.25 112.79 1dof h VAL 44 Ca 0.00 -1.92 -0.48 0.00 0.82 0.00 0.00 66.70 65.13 1dof h VAL 44 Cb 0.00 2.62 0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1dof h VAL 44 CO 0.00 0.46 0.26 0.00 0.02 0.00 0.00 177.57 178.31 1dof s ALA 45 N -2.65 3.18 0.17 1.67 0.00 -0.50 -4.93 121.76 118.71 1dof s ALA 45 Ca -0.16 0.05 -0.32 0.00 0.00 0.00 0.00 51.96 51.54 1dof s ALA 45 Cb -0.02 -2.95 -0.10 0.00 0.00 0.00 0.00 23.12 20.05 1dof s ALA 45 CO 0.58 -0.09 1.61 -2.00 0.00 0.00 0.00 175.76 175.86 1dof s GLU 46 N -3.85 4.19 0.14 0.00 2.12 -1.26 -4.46 118.70 115.59 1dof s GLU 46 Ca 0.56 2.42 -0.34 0.00 0.36 0.00 0.00 54.97 57.97 1dof s GLU 46 Cb -0.10 -3.17 -0.16 0.00 0.26 0.00 0.00 34.13 30.96 1dof s GLU 46 CO 0.29 -0.65 1.20 2.89 -0.54 0.00 0.00 175.26 178.45 1dof n ARG 47 N 4.10 1.12 0.00 4.30 1.85 -1.26 -0.51 116.66 126.26 1dof n ARG 47 Ca 0.14 0.40 0.00 0.00 -1.00 0.00 0.00 57.85 57.39 1dof n ARG 47 Cb 0.38 -1.93 0.00 0.00 -1.05 0.00 0.00 32.46 29.86 1dof n ARG 47 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1dof n GLY 48 N 2.14 0.77 0.15 2.89 0.00 -1.26 -4.94 105.19 104.94 1dof n GLY 48 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1dof n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dof h GLU 51 N -0.62 0.75 -0.50 0.00 -0.00 -1.97 0.57 114.58 112.82 1dof h GLU 51 Ca 0.04 -0.08 -0.06 0.00 -0.00 0.00 0.00 59.36 59.26 1dof h GLU 51 Cb 0.69 -0.15 -0.02 0.00 -0.00 0.00 0.00 28.75 29.26 1dof h GLU 51 CO -0.34 0.56 0.09 1.57 -0.00 0.00 0.00 179.01 180.89 1dof h LYS 52 N 0.76 0.82 -0.06 1.06 2.10 -0.85 0.13 116.57 120.52 1dof h LYS 52 Ca 0.19 -0.21 -0.22 0.00 -2.00 0.00 0.00 60.65 58.41 1dof h LYS 52 Cb 0.04 -0.10 0.01 0.00 -0.90 0.00 0.00 32.23 31.27 1dof h LYS 52 CO -0.03 0.81 -0.86 -0.39 -2.00 0.00 0.00 179.45 176.97 1dof h VAL 53 N 0.70 1.34 -0.58 0.07 -1.51 -0.15 -2.09 116.25 114.03 1dof h VAL 53 Ca 0.15 -2.19 -0.01 0.00 -1.23 0.00 0.00 66.70 63.42 1dof h VAL 53 Cb 0.38 2.21 -0.03 0.00 -2.13 0.00 0.00 31.29 31.71 1dof h VAL 53 CO 0.01 0.67 0.31 0.78 -1.23 0.00 0.00 177.57 178.11 1dof h ASN 54 N 0.36 0.73 0.13 4.19 2.35 -0.79 -2.80 115.58 119.77 1dof h ASN 54 Ca -0.07 -0.10 -0.14 0.00 -0.55 0.00 0.00 56.30 55.44 1dof h ASN 54 Cb 1.48 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.66 1dof h ASN 54 CO 0.16 0.63 -0.50 0.11 -1.65 0.00 0.00 177.43 176.17 1dof h LYS 55 N 0.78 0.42 -6.74 0.81 6.56 -0.78 -3.44 116.57 114.17 1dof h LYS 55 Ca 0.20 -0.24 -0.52 0.00 -1.06 0.00 0.00 60.65 59.03 1dof h LYS 55 Cb 0.06 0.02 0.05 0.00 -0.57 0.00 0.00 32.23 31.79 1dof h LYS 55 CO -0.03 0.83 0.67 0.00 -2.06 0.00 0.00 179.45 178.86 1dof s ALA 56 N -4.02 3.54 -0.14 3.86 0.00 -0.79 -5.02 121.76 119.19 1dof s ALA 56 Ca -0.06 1.19 -0.02 0.00 0.00 0.00 0.00 51.96 53.07 1dof s ALA 56 Cb 0.12 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1dof s ALA 56 CO 0.81 -0.60 -0.08 -1.54 0.00 0.00 0.00 175.76 174.36 1dof s SER 57 N 0.12 4.45 0.31 0.00 1.04 -1.26 -4.95 113.70 113.40 1dof s SER 57 Ca 0.55 -0.21 0.06 0.00 0.48 0.00 0.00 55.95 56.83 1dof s SER 57 Cb -0.38 -1.69 -0.06 0.00 0.10 0.00 0.00 66.02 63.99 1dof s SER 57 CO 0.43 0.17 -0.03 -0.69 0.98 0.00 0.00 173.24 174.11 1dof s VAL 58 N 0.31 1.63 0.04 5.02 1.01 -1.26 -5.03 120.40 122.12 1dof s VAL 58 Ca -0.07 -2.09 -0.05 0.00 0.00 0.00 0.00 61.98 59.78 1dof s VAL 58 Cb -0.15 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1dof s VAL 58 CO 0.04 -0.19 0.08 -0.94 0.00 0.00 0.00 175.10 174.10 1dof s SER 59 N -3.50 0.19 0.42 3.32 1.04 -1.26 -5.04 113.70 108.87 1dof s SER 59 Ca 0.32 -0.54 0.09 0.00 0.48 0.00 0.00 55.95 56.30 1dof s SER 59 Cb 0.06 0.22 0.89 0.00 0.10 0.00 0.00 66.02 67.28 1dof s SER 59 CO 0.14 -0.49 2.03 0.00 0.98 0.00 0.00 173.24 175.89 1dof h ALA 60 N 3.73 1.69 0.61 5.32 0.00 -1.90 0.22 119.26 128.93 1dof h ALA 60 Ca -0.32 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1dof h ALA 60 Cb 1.18 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1dof h ALA 60 CO 0.50 0.25 -0.29 0.38 0.00 0.00 0.00 179.25 180.09 1dof h ASP 61 N 0.39 -0.69 -0.05 0.00 3.04 -1.97 -3.20 116.42 113.93 1dof h ASP 61 Ca 0.10 -0.03 0.02 0.00 -3.24 0.00 0.00 57.03 53.88 1dof h ASP 61 Cb 0.07 0.18 -0.06 0.00 -1.04 0.00 0.00 39.33 38.48 1dof h ASP 61 CO -0.01 -0.36 -0.51 -0.33 -2.04 0.00 0.00 179.24 175.99 1dof h GLU 62 N -1.04 -0.58 -6.95 4.15 5.08 -1.86 -3.55 114.58 109.83 1dof h GLU 62 Ca -0.08 0.04 -0.46 0.00 -1.00 0.00 0.00 59.36 57.85 1dof h GLU 62 Cb 0.68 0.13 0.22 0.00 0.50 0.00 0.00 28.75 30.28 1dof h GLU 62 CO 0.14 -0.38 -0.40 0.28 -1.00 0.00 0.00 179.01 177.64 1dof n VAL 63 N -5.26 0.00 -0.18 3.13 0.31 0.74 -5.03 118.33 112.05 1dof n VAL 63 Ca -0.06 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1dof n VAL 63 Cb 0.37 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 1dof n VAL 63 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1dof n HIS 72 N -4.60 0.00 0.07 3.52 -0.00 -1.26 -4.88 115.22 108.06 1dof n HIS 72 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.62 1dof n HIS 72 Cb 0.56 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.47 1dof n HIS 72 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1dof h ASP 73 N 0.11 -0.14 -0.33 0.41 3.32 -2.05 -1.48 116.42 116.26 1dof h ASP 73 Ca 0.00 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 1dof h ASP 73 Cb 0.00 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1dof h ASP 73 CO 0.00 0.19 0.11 0.40 -1.72 0.00 0.00 179.24 178.22 1dof h ILE 74 N -0.48 1.20 -0.51 0.35 1.08 -1.98 -0.49 117.51 116.68 1dof h ILE 74 Ca -0.02 -0.63 0.04 0.00 -0.39 0.00 0.00 64.86 63.86 1dof h ILE 74 Cb 0.38 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 35.08 1dof h ILE 74 CO 0.03 0.22 0.26 0.25 -0.69 0.00 0.00 178.15 178.22 1dof h LEU 75 N 0.38 0.38 -0.25 1.44 5.85 -2.00 0.11 115.31 121.23 1dof h LEU 75 Ca 0.11 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1dof h LEU 75 Cb 0.23 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1dof h LEU 75 CO -0.01 0.27 0.08 0.28 -0.34 0.00 0.00 178.44 178.72 1dof h SER 76 N 0.51 0.09 -0.62 1.25 0.02 -1.05 -1.25 113.55 112.50 1dof h SER 76 Ca 0.22 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1dof h SER 76 Cb 0.12 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1dof h SER 76 CO -0.15 0.08 0.38 0.25 -1.14 0.00 0.00 176.83 176.26 1dof h LEU 77 N 0.19 0.63 -0.46 5.07 7.12 -0.42 -1.62 115.31 125.83 1dof h LEU 77 Ca 0.11 -0.00 -0.05 0.00 0.13 0.00 0.00 57.88 58.07 1dof h LEU 77 Cb 0.08 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.06 1dof h LEU 77 CO -0.12 0.44 0.09 0.58 -0.13 0.00 0.00 178.44 179.30 1dof h VAL 78 N 0.76 1.24 0.05 1.05 2.07 -0.44 -0.56 116.25 120.42 1dof h VAL 78 Ca 0.24 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.90 1dof h VAL 78 Cb 0.00 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1dof h VAL 78 CO -0.09 0.31 -0.12 -0.07 0.02 0.00 0.00 177.57 177.62 1dof h LEU 79 N 0.63 -0.34 -0.11 2.57 3.38 -0.95 -1.03 115.31 119.46 1dof h LEU 79 Ca 0.14 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1dof h LEU 79 Cb 0.36 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1dof h LEU 79 CO 0.01 -0.18 -0.01 -0.07 0.09 0.00 0.00 178.44 178.28 1dof h LEU 80 N -0.23 -0.07 -0.98 1.67 3.38 -1.17 -0.79 115.31 117.12 1dof h LEU 80 Ca 0.03 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1dof h LEU 80 Cb 0.26 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1dof h LEU 80 CO -0.08 -0.02 0.65 0.25 0.09 0.00 0.00 178.44 179.33 1dof h LEU 81 N 0.02 1.12 -0.05 1.67 5.85 -1.01 -0.64 115.31 122.27 1dof h LEU 81 Ca 0.05 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1dof h LEU 81 Cb 0.07 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 1dof h LEU 81 CO -0.10 0.81 0.02 -0.08 -0.34 0.00 0.00 178.44 178.75 1dof h GLU 82 N 1.32 0.08 -0.52 1.25 4.81 -0.76 -2.24 114.58 118.52 1dof h GLU 82 Ca 0.36 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.62 1dof h GLU 82 Cb -0.15 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 1dof h GLU 82 CO -0.08 0.19 0.26 1.96 -0.73 0.00 0.00 179.01 180.61 1dof h GLN 83 N -0.05 0.50 -0.02 1.92 4.20 -0.78 0.31 115.11 121.18 1dof h GLN 83 Ca 0.02 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 1dof h GLN 83 Cb 0.14 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1dof h GLN 83 CO -0.00 0.33 -0.68 0.87 -0.67 0.00 0.00 178.83 178.68 1dof h LYS 84 N 0.51 0.09 0.00 1.46 1.57 -1.12 -3.31 116.57 115.77 1dof h LYS 84 Ca 0.23 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1dof h LYS 84 Cb 0.14 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1dof h LYS 84 CO -0.16 0.73 -1.63 -1.13 -0.57 0.00 0.00 179.45 176.69 1dof n SER 85 N -3.77 0.37 -1.03 0.86 3.41 -0.85 -4.90 113.62 107.71 1dof n SER 85 Ca -0.02 0.15 -0.13 0.00 -0.26 0.00 0.00 58.87 58.61 1dof n SER 85 Cb 0.67 1.22 -0.06 0.00 -0.26 0.00 0.00 64.21 65.78 1dof n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dof n GLY 86 N 1.28 1.35 3.68 5.00 0.00 0.11 -4.78 105.19 111.82 1dof n GLY 86 Ca -0.05 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 1dof n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dof n ARG 88 N 3.86 2.22 -0.26 0.00 1.85 -1.26 -3.98 116.66 119.09 1dof n ARG 88 Ca -0.16 -1.79 0.08 0.00 -1.00 0.00 0.00 57.85 54.99 1dof n ARG 88 Cb 0.52 -1.47 0.22 0.00 -1.05 0.00 0.00 32.46 30.68 1dof n ARG 88 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1dof n TYR 89 N 1.14 0.67 -1.73 2.89 4.02 -1.26 -4.87 117.16 118.02 1dof n TYR 89 Ca 0.15 -0.34 -0.42 0.00 -0.01 0.00 0.00 57.90 57.29 1dof n TYR 89 Cb 0.55 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.84 1dof n TYR 89 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1dof s VAL 90 N -1.33 2.19 0.00 -0.72 1.01 -1.26 -1.96 120.40 118.34 1dof s VAL 90 Ca 0.33 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1dof s VAL 90 Cb 0.17 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1dof s VAL 90 CO 0.23 0.00 0.00 1.57 0.00 0.00 0.00 175.10 176.90 1dof n HIS 91 N 4.48 0.00 -1.62 5.22 -0.00 -1.26 -4.90 115.22 117.14 1dof n HIS 91 Ca 0.16 0.00 -0.50 0.00 -0.00 0.00 0.00 57.72 57.39 1dof n HIS 91 Cb 0.36 -1.17 -0.05 0.00 -0.00 0.00 0.00 29.99 29.12 1dof n HIS 91 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 1dof n TYR 92 N -2.40 2.08 -0.53 1.57 4.19 -0.83 -1.00 117.16 120.24 1dof n TYR 92 Ca 0.00 0.13 0.00 0.00 3.31 0.00 0.00 57.90 61.34 1dof n TYR 92 Cb 0.29 -2.61 0.00 0.00 0.49 0.00 0.00 39.34 37.51 1dof n TYR 92 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1dof n GLY 93 N 5.05 1.68 3.96 2.98 0.00 -1.26 -5.02 105.19 112.58 1dof n GLY 93 Ca 0.29 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 1dof n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dof s ALA 94 N -3.44 3.73 0.23 4.61 0.00 -0.17 -4.52 121.76 122.20 1dof s ALA 94 Ca 0.00 -1.13 0.10 0.00 0.00 0.00 0.00 51.96 50.93 1dof s ALA 94 Cb 0.00 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 1dof s ALA 94 CO 0.00 -0.65 -0.19 -0.08 0.00 0.00 0.00 175.76 174.84 1dof s THR 95 N -2.74 2.18 0.24 0.00 -1.32 -1.26 -4.74 115.64 108.00 1dof s THR 95 Ca 0.54 -2.21 -0.05 0.00 -1.21 0.00 0.00 61.69 58.75 1dof s THR 95 Cb -0.10 -2.13 0.22 0.00 -1.51 0.00 0.00 72.50 68.98 1dof s THR 95 CO 0.39 -0.38 1.70 0.28 -2.21 0.00 0.00 174.62 174.40 1dof h SER 96 N 2.67 0.08 0.61 8.08 0.02 -1.96 -0.95 113.55 122.11 1dof h SER 96 Ca -0.41 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1dof h SER 96 Cb 1.23 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1dof h SER 96 CO 0.57 0.00 0.00 0.78 -1.14 0.00 0.00 176.83 177.04 1dof h ASN 97 N 0.31 0.00 -0.75 3.07 4.21 -1.97 0.24 115.58 120.70 1dof h ASN 97 Ca 0.41 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.92 1dof h ASN 97 Cb 0.67 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.83 1dof h ASN 97 CO -0.47 0.00 0.50 0.44 -1.29 0.00 0.00 177.43 176.60 1dof h ASP 98 N 0.00 0.87 0.01 5.81 3.32 -1.37 0.24 116.42 125.30 1dof h ASP 98 Ca 0.00 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1dof h ASP 98 Cb 0.30 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1dof h ASP 98 CO 0.00 0.63 -0.18 0.40 -1.72 0.00 0.00 179.24 178.37 1dof h ILE 99 N 1.02 1.63 -0.17 0.35 1.08 -1.10 -3.03 117.51 117.30 1dof h ILE 99 Ca 0.27 -2.09 -0.00 0.00 -0.39 0.00 0.00 64.86 62.65 1dof h ILE 99 Cb -0.11 3.01 -0.01 0.00 -3.07 0.00 0.00 36.82 36.63 1dof h ILE 99 CO -0.06 0.56 0.09 0.40 -0.69 0.00 0.00 178.15 178.45 1dof h ILE 100 N -0.69 1.11 -0.03 -0.67 2.04 -0.99 -0.30 117.51 117.99 1dof h ILE 100 Ca -0.03 -0.31 -0.17 0.00 1.00 0.00 0.00 64.86 65.36 1dof h ILE 100 Cb 1.02 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1dof h ILE 100 CO 0.04 0.10 -0.74 0.44 0.00 0.00 0.00 178.15 177.99 1dof h ASP 101 N 0.16 0.23 -0.26 1.72 3.32 -0.67 -1.36 116.42 119.56 1dof h ASP 101 Ca 0.06 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 56.80 1dof h ASP 101 Cb 0.09 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1dof h ASP 101 CO -0.01 0.88 -0.44 0.74 -1.72 0.00 0.00 179.24 178.70 1dof h THR 102 N 0.12 1.30 -0.98 0.35 2.02 -1.50 -1.28 112.91 112.95 1dof h THR 102 Ca -0.02 -1.64 0.03 0.00 0.77 0.00 0.00 66.41 65.55 1dof h THR 102 Cb 1.30 1.70 -0.05 0.00 -1.74 0.00 0.00 68.15 69.36 1dof h THR 102 CO 0.11 0.52 0.65 0.00 0.37 0.00 0.00 175.52 177.17 1dof h ALA 103 N 0.66 1.29 -0.47 6.16 0.00 -0.90 -0.23 119.26 125.76 1dof h ALA 103 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dof h ALA 103 Cb 1.04 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1dof h ALA 103 CO 0.10 0.57 0.31 -1.49 0.00 0.00 0.00 179.25 178.74 1dof h TRP 104 N 1.27 0.59 -0.61 0.00 -0.00 -1.04 -0.25 115.95 115.92 1dof h TRP 104 Ca 0.38 0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 59.25 1dof h TRP 104 Cb -0.05 -0.20 -0.03 0.00 -0.00 0.00 0.00 29.16 28.88 1dof h TRP 104 CO -0.00 0.37 0.24 0.00 -0.00 0.00 0.00 178.44 179.05 1dof h ALA 105 N 1.17 0.80 0.38 1.49 0.00 -0.71 0.21 119.26 122.60 1dof h ALA 105 Ca 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1dof h ALA 105 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1dof h ALA 105 CO -0.04 0.42 -0.24 -0.07 0.00 0.00 0.00 179.25 179.32 1dof h LEU 106 N 0.86 -0.61 -0.48 0.00 3.38 -0.54 -1.01 115.31 116.91 1dof h LEU 106 Ca 0.20 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1dof h LEU 106 Cb 0.21 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1dof h LEU 106 CO -0.02 -0.38 0.02 -0.07 0.09 0.00 0.00 178.44 178.09 1dof h LEU 107 N -0.60 0.82 -0.36 1.67 3.38 -0.88 -2.24 115.31 117.10 1dof h LEU 107 Ca -0.04 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1dof h LEU 107 Cb 0.50 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1dof h LEU 107 CO 0.03 0.91 0.08 0.40 0.09 0.00 0.00 178.44 179.95 1dof h ILE 108 N 0.70 1.23 -0.10 1.22 2.04 -0.61 -0.26 117.51 121.72 1dof h ILE 108 Ca 0.14 -0.78 -0.10 0.00 1.00 0.00 0.00 64.86 65.12 1dof h ILE 108 Cb 0.48 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1dof h ILE 108 CO 0.02 0.27 -0.41 0.03 0.00 0.00 0.00 178.15 178.06 1dof h ARG 109 N 0.43 0.21 -0.47 2.37 3.08 -1.14 0.28 114.38 119.14 1dof h ARG 109 Ca 0.11 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1dof h ARG 109 Cb 0.32 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1dof h ARG 109 CO 0.00 0.59 0.13 0.00 -1.07 0.00 0.00 179.97 179.62 1dof h ARG 110 N 0.18 0.75 -0.50 0.04 3.08 -1.13 -0.82 114.38 115.98 1dof h ARG 110 Ca 0.02 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1dof h ARG 110 Cb 0.80 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1dof h ARG 110 CO 0.06 0.73 0.30 0.00 -1.07 0.00 0.00 179.97 179.99 1dof h ALA 111 N 0.99 0.64 -0.54 0.04 0.00 -0.54 -2.77 119.26 117.08 1dof h ALA 111 Ca 0.15 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1dof h ALA 111 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1dof h ALA 111 CO -0.00 0.12 0.13 -0.07 0.00 0.00 0.00 179.25 179.43 1dof h LEU 112 N 0.67 0.78 -0.44 0.00 3.38 -0.23 -0.02 115.31 119.44 1dof h LEU 112 Ca 0.18 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1dof h LEU 112 Cb -0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1dof h LEU 112 CO -0.03 0.77 0.18 0.00 0.09 0.00 0.00 178.44 179.44 1dof h ALA 113 N 1.33 0.53 -0.39 1.53 0.00 -0.89 0.11 119.26 121.48 1dof h ALA 113 Ca 0.18 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1dof h ALA 113 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1dof h ALA 113 CO -0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 179.25 178.90 1dof h ALA 114 N 1.27 1.02 -0.26 0.00 0.00 -1.12 -2.05 119.26 118.12 1dof h ALA 114 Ca 0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1dof h ALA 114 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1dof h ALA 114 CO -0.18 0.59 0.11 0.28 0.00 0.00 0.00 179.25 180.04 1dof h VAL 115 N 0.64 1.16 -0.95 0.00 2.07 -0.27 -1.22 116.25 117.68 1dof h VAL 115 Ca 0.11 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1dof h VAL 115 Cb 0.60 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 1dof h VAL 115 CO 0.04 0.17 0.59 0.11 0.02 0.00 0.00 177.57 178.50 1dof h LYS 116 N 0.27 1.28 -0.30 1.57 1.57 -0.68 0.12 116.57 120.39 1dof h LYS 116 Ca 0.09 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1dof h LYS 116 Cb 0.16 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1dof h LYS 116 CO -0.01 0.88 0.12 1.49 -0.57 0.00 0.00 179.45 181.36 1dof h GLU 117 N 1.30 0.45 -0.13 3.15 4.81 -0.96 -0.57 114.58 122.63 1dof h GLU 117 Ca 0.34 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.41 1dof h GLU 117 Cb -0.09 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1dof h GLU 117 CO -0.07 0.46 -0.28 0.87 -0.73 0.00 0.00 179.01 179.27 1dof h LYS 118 N 0.34 0.24 -0.27 1.92 1.57 -0.68 -0.78 116.57 118.91 1dof h LYS 118 Ca 0.10 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 1dof h LYS 118 Cb 0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1dof h LYS 118 CO -0.01 0.51 -0.40 0.00 -0.57 0.00 0.00 179.45 178.99 1dof h ALA 119 N 1.49 0.79 -0.47 3.86 0.00 -0.58 -1.78 119.26 122.57 1dof h ALA 119 Ca 0.03 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1dof h ALA 119 Cb 0.62 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1dof h ALA 119 CO 0.04 0.65 -0.18 0.00 0.00 0.00 0.00 179.25 179.76 1dof h ARG 120 N 0.53 0.94 -0.81 0.00 3.08 -0.42 0.77 114.38 118.48 1dof h ARG 120 Ca 0.05 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 1dof h ARG 120 Cb 0.92 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.89 1dof h ARG 120 CO 0.08 1.04 0.41 0.00 -1.07 0.00 0.00 179.97 180.43 1dof h ALA 121 N 0.96 1.04 -0.19 0.04 0.00 -0.99 0.23 119.26 120.36 1dof h ALA 121 Ca 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1dof h ALA 121 Cb 0.74 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1dof h ALA 121 CO 0.06 0.58 0.01 0.28 0.00 0.00 0.00 179.25 180.18 1dof h VAL 122 N 1.14 1.24 -0.68 0.00 2.07 -1.12 -1.80 116.25 117.10 1dof h VAL 122 Ca 0.28 -0.82 0.09 0.00 0.82 0.00 0.00 66.70 67.07 1dof h VAL 122 Cb 0.08 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 1dof h VAL 122 CO -0.04 0.25 0.33 1.23 0.02 0.00 0.00 177.57 179.35 1dof h GLY 123 N 0.10 1.01 1.08 2.17 0.00 -0.34 -0.42 103.07 106.66 1dof h GLY 123 Ca 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1dof h GLY 123 CO 0.01 0.05 0.51 -0.55 0.00 0.00 0.00 176.54 176.56 1dof h ASP 124 N 0.56 1.08 -0.38 0.19 3.32 -0.77 0.36 116.42 120.78 1dof h ASP 124 Ca 0.34 -0.08 -0.16 0.00 0.02 0.00 0.00 57.03 57.15 1dof h ASP 124 Cb 0.36 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1dof h ASP 124 CO -0.27 0.84 -0.38 -0.61 -1.72 0.00 0.00 179.24 177.10 1dof h GLN 125 N 1.22 0.94 -0.17 3.56 5.75 -0.69 -0.21 115.11 125.52 1dof h GLN 125 Ca 0.31 -0.49 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 1dof h GLN 125 Cb -0.02 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1dof h GLN 125 CO -0.06 1.15 0.08 -0.07 -2.65 0.00 0.00 178.83 177.28 1dof h LEU 126 N 0.77 0.22 -0.49 -2.39 3.38 -0.80 -1.11 115.31 114.88 1dof h LEU 126 Ca 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1dof h LEU 126 Cb 0.97 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1dof h LEU 126 CO 0.09 0.28 0.32 0.00 0.09 0.00 0.00 178.44 179.22 1dof h ALA 127 N 0.95 0.62 -0.80 1.53 0.00 -0.85 0.24 119.26 120.95 1dof h ALA 127 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1dof h ALA 127 Cb 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1dof h ALA 127 CO -0.01 0.08 0.34 1.03 0.00 0.00 0.00 179.25 180.69 1dof h SER 128 N 0.66 1.08 -0.24 0.00 0.87 -0.95 -1.36 113.55 113.62 1dof h SER 128 Ca 0.18 -0.16 -0.17 0.00 -1.23 0.00 0.00 61.79 60.41 1dof h SER 128 Cb -0.06 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.62 1dof h SER 128 CO -0.04 0.95 -0.50 0.24 -0.53 0.00 0.00 176.83 176.95 1dof h MET 129 N 1.15 0.82 -0.82 2.24 2.07 -0.81 -1.67 114.93 117.92 1dof h MET 129 Ca 0.27 -0.49 0.05 0.00 -2.07 0.00 0.00 59.70 57.46 1dof h MET 129 Cb 0.18 0.05 -0.06 0.00 -1.87 0.00 0.00 31.60 29.90 1dof h MET 129 CO -0.03 1.13 0.51 0.00 1.07 0.00 0.00 176.91 179.58 1dof h ALA 130 N 0.78 1.11 -0.20 6.32 0.00 -0.23 -0.21 119.26 126.83 1dof h ALA 130 Ca 0.03 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1dof h ALA 130 Cb 1.09 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1dof h ALA 130 CO 0.11 0.26 -0.29 0.00 0.00 0.00 0.00 179.25 179.33 1dof h ARG 131 N 0.94 0.55 -0.52 0.00 3.08 -1.21 -1.54 114.38 115.67 1dof h ARG 131 Ca 0.35 -0.32 0.07 0.00 0.07 0.00 0.00 59.98 60.15 1dof h ARG 131 Cb 0.13 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.15 1dof h ARG 131 CO -0.16 0.92 0.18 -0.22 -1.07 0.00 0.00 179.97 179.63 1dof h LYS 132 N 0.22 0.35 -0.56 0.04 3.64 -1.05 -2.82 116.57 116.38 1dof h LYS 132 Ca 0.02 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1dof h LYS 132 Cb 0.86 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.55 1dof h LYS 132 CO 0.07 0.23 0.10 0.66 -2.27 0.00 0.00 179.45 178.24 1dof n TYR 133 N -5.01 1.94 0.00 1.91 4.02 -0.11 -4.72 117.16 115.19 1dof n TYR 133 Ca 0.06 -0.99 0.18 0.00 -0.01 0.00 0.00 57.90 57.13 1dof n TYR 133 Cb 0.22 -0.54 0.65 0.00 -0.02 0.00 0.00 39.34 39.64 1dof n TYR 133 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1dof h LYS 134 N 2.86 0.08 -0.18 -0.72 2.10 -1.01 -0.77 116.57 118.93 1dof h LYS 134 Ca 0.12 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1dof h LYS 134 Cb 2.00 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.31 1dof h LYS 134 CO 0.53 0.05 0.00 0.25 -2.00 0.00 0.00 179.45 178.28 1dof n THR 135 N -4.41 0.98 -2.48 0.07 -2.24 -1.26 -4.60 114.28 100.34 1dof n THR 135 Ca 0.09 -0.99 -0.41 0.00 -2.27 0.00 0.00 64.05 60.47 1dof n THR 135 Cb 0.52 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1dof n THR 135 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1dof s LEU 136 N -0.99 3.23 0.32 3.22 0.20 -0.42 -4.97 118.68 119.27 1dof s LEU 136 Ca 0.12 -0.23 -0.28 0.00 0.69 0.00 0.00 54.13 54.43 1dof s LEU 136 Cb 0.06 -2.66 -0.09 0.00 -0.43 0.00 0.00 46.19 43.07 1dof s LEU 136 CO 0.08 -1.86 1.16 -1.61 -0.29 0.00 0.00 176.35 173.83 1dof s GLU 137 N 5.80 4.45 0.16 1.98 2.02 -1.26 -0.91 118.70 130.94 1dof s GLU 137 Ca 0.41 1.89 -0.08 0.00 0.02 0.00 0.00 54.97 57.21 1dof s GLU 137 Cb -0.09 -3.03 -0.01 0.00 0.10 0.00 0.00 34.13 31.10 1dof s GLU 137 CO 0.18 0.01 0.25 0.00 0.02 0.00 0.00 175.26 175.72 1dof s MET 138 N -1.74 1.14 0.30 1.61 0.23 -0.40 -4.66 119.30 115.78 1dof s MET 138 Ca 0.48 -1.24 -0.28 0.00 -1.03 0.00 0.00 55.69 53.63 1dof s MET 138 Cb -0.33 0.36 -0.09 0.00 -1.53 0.00 0.00 34.83 33.23 1dof s MET 138 CO 0.42 -0.41 0.97 0.54 -2.03 0.00 0.00 175.02 174.52 1dof s VAL 139 N -3.99 4.04 0.57 5.16 0.11 -1.26 -1.52 120.40 123.52 1dof s VAL 139 Ca 0.19 1.84 -0.13 0.00 -2.93 0.00 0.00 61.98 60.96 1dof s VAL 139 Cb 0.04 -4.09 -0.05 0.00 -1.53 0.00 0.00 36.38 30.75 1dof s VAL 139 CO 0.01 0.28 0.99 -0.83 -3.33 0.00 0.00 175.10 172.22 1dof s GLY 140 N -1.38 1.80 -0.06 6.54 0.00 -0.66 -4.72 107.32 108.84 1dof s GLY 140 Ca 0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 44.72 45.16 1dof s GLY 140 CO 0.29 0.24 -0.01 0.50 0.00 0.00 0.00 173.10 174.12 1dof s ARG 141 N -4.72 0.62 -0.06 2.90 0.52 -1.26 -0.35 118.95 116.60 1dof s ARG 141 Ca 0.56 0.05 0.02 0.00 -0.52 0.00 0.00 55.73 55.84 1dof s ARG 141 Cb -0.11 -0.86 0.01 0.00 0.52 0.00 0.00 34.95 34.52 1dof s ARG 141 CO 0.45 -0.22 -0.11 0.95 0.02 0.00 0.00 175.30 176.39 1dof s THR 142 N 1.54 1.04 0.00 0.02 -4.23 -0.32 -4.65 115.64 109.04 1dof s THR 142 Ca -0.02 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 1dof s THR 142 Cb -0.13 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.76 1dof s THR 142 CO -0.03 0.33 0.00 1.41 -0.54 0.00 0.00 174.62 175.79 1dof n HIS 143 N 3.81 0.00 -0.86 3.99 8.25 -1.26 -0.95 115.22 128.20 1dof n HIS 143 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1dof n HIS 143 Cb 0.52 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.77 1dof n HIS 143 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dof n GLY 144 N -1.32 0.90 3.94 -1.41 0.00 -1.26 -5.03 105.19 101.01 1dof n GLY 144 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1dof n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dof s GLN 145 N -0.14 3.17 0.21 1.61 -1.52 -0.13 -5.05 119.66 117.81 1dof s GLN 145 Ca 0.00 -0.95 -0.30 0.00 -1.95 0.00 0.00 55.36 52.16 1dof s GLN 145 Cb 0.00 -2.77 -0.08 0.00 -0.22 0.00 0.00 33.01 29.94 1dof s GLN 145 CO 0.00 0.26 1.20 -1.58 -0.25 0.00 0.00 175.29 174.92 1dof s TRP 146 N -2.11 3.41 0.00 0.91 0.51 -1.26 -1.18 118.94 119.23 1dof s TRP 146 Ca 0.38 1.44 0.00 0.00 -2.12 0.00 0.00 56.10 55.81 1dof s TRP 146 Cb -0.09 -3.44 -0.00 0.00 -0.81 0.00 0.00 33.47 29.14 1dof s TRP 146 CO 0.29 -1.20 0.00 0.00 -0.51 0.00 0.00 176.95 175.52 1dof n ALA 147 N 2.25 0.00 -1.40 0.98 0.00 0.53 -4.81 120.51 118.07 1dof n ALA 147 Ca 0.04 -0.01 -0.37 0.00 0.00 0.00 0.00 53.44 53.10 1dof n ALA 147 Cb 0.44 0.01 0.06 0.00 0.00 0.00 0.00 19.45 19.96 1dof n ALA 147 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1dof n GLU 148 N -0.00 0.49 -1.13 0.00 1.02 -1.26 -3.33 120.64 116.43 1dof n GLU 148 Ca -0.00 0.21 -0.35 0.00 -0.02 0.00 0.00 57.16 57.00 1dof n GLU 148 Cb 0.00 -1.92 0.09 0.00 -0.02 0.00 0.00 31.44 29.59 1dof n GLU 148 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1dof n PRO 149 N -0.79 0.15 -1.42 3.49 -0.02 -1.26 -1.66 135.00 133.49 1dof n PRO 149 Ca 0.12 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1dof n PRO 149 Cb 0.49 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1dof n PRO 149 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1dof n ILE 150 N -2.81 0.00 -4.32 4.25 -5.35 -0.57 -4.68 119.36 105.88 1dof n ILE 150 Ca 0.10 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.36 1dof n ILE 150 Cb 0.51 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 38.29 1dof n ILE 150 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1dof s THR 151 N -1.57 1.77 0.24 7.28 -4.23 -1.26 -1.27 115.64 116.59 1dof s THR 151 Ca 0.00 -1.81 -0.07 0.00 -1.18 0.00 0.00 61.69 58.64 1dof s THR 151 Cb 0.00 -1.75 0.22 0.00 1.34 0.00 0.00 72.50 72.31 1dof s THR 151 CO 0.00 -0.25 1.89 0.25 -0.54 0.00 0.00 174.62 175.97 1dof h LEU 152 N 3.49 1.00 -1.34 4.79 6.46 -1.11 -1.95 115.31 126.64 1dof h LEU 152 Ca -0.43 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.27 1dof h LEU 152 Cb 1.20 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.88 1dof h LEU 152 CO 0.48 0.70 -0.05 1.23 -0.62 0.00 0.00 178.44 180.17 1dof h GLY 153 N 1.17 0.41 1.15 3.75 0.00 -1.42 -1.71 103.07 106.42 1dof h GLY 153 Ca 0.35 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 1dof h GLY 153 CO -0.10 0.22 0.15 -2.75 0.00 0.00 0.00 176.54 174.06 1dof h PHE 154 N 0.36 1.10 -0.21 5.60 3.57 -1.62 -0.24 116.94 125.50 1dof h PHE 154 Ca 0.08 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 61.47 1dof h PHE 154 Cb 0.33 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1dof h PHE 154 CO 0.01 0.90 0.07 -0.22 -2.23 0.00 0.00 178.31 176.84 1dof h LYS 155 N 1.00 0.17 -0.21 1.11 3.64 -0.97 -2.02 116.57 119.29 1dof h LYS 155 Ca 0.21 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 1dof h LYS 155 Cb 0.36 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1dof h LYS 155 CO 0.00 0.11 -0.27 0.74 -2.27 0.00 0.00 179.45 177.76 1dof h PHE 156 N 0.17 0.44 -0.52 1.91 0.05 -0.96 -2.47 116.94 115.56 1dof h PHE 156 Ca 0.09 -0.09 -0.07 0.00 3.82 0.00 0.00 57.97 61.72 1dof h PHE 156 Cb 0.06 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 37.88 1dof h PHE 156 CO -0.12 0.64 0.06 0.00 -0.18 0.00 0.00 178.31 178.70 1dof h ALA 157 N 1.37 1.12 -0.69 2.45 0.00 -0.78 -1.24 119.26 121.48 1dof h ALA 157 Ca 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1dof h ALA 157 Cb 0.67 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1dof h ALA 157 CO 0.05 0.57 0.31 -0.91 0.00 0.00 0.00 179.25 179.27 1dof h ASN 158 N 0.80 0.93 -0.43 0.00 2.35 -0.93 -1.95 115.58 116.36 1dof h ASN 158 Ca 0.16 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1dof h ASN 158 Cb 0.40 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1dof h ASN 158 CO 0.01 0.83 0.18 1.88 -1.65 0.00 0.00 177.43 178.68 1dof h TYR 159 N 0.98 0.69 -0.30 1.19 -1.99 -1.06 -1.51 116.97 114.97 1dof h TYR 159 Ca 0.23 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.93 1dof h TYR 159 Cb 0.16 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 1dof h TYR 159 CO 0.01 0.54 0.18 -0.92 -0.00 0.00 0.00 178.16 177.98 1dof h TYR 160 N 0.68 0.38 -0.47 4.88 3.20 -1.00 0.13 116.97 124.78 1dof h TYR 160 Ca 0.16 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1dof h TYR 160 Cb 0.15 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1dof h TYR 160 CO 0.01 0.27 0.26 -0.92 -1.64 0.00 0.00 178.16 176.14 1dof h TYR 161 N 0.38 0.64 -0.70 -3.82 -0.00 -0.89 -0.63 116.97 111.95 1dof h TYR 161 Ca 0.11 -0.01 0.03 0.00 -0.00 0.00 0.00 58.73 58.86 1dof h TYR 161 Cb -0.00 -0.20 -0.05 0.00 -0.00 0.00 0.00 36.73 36.48 1dof h TYR 161 CO -0.05 0.48 0.43 0.93 -0.00 0.00 0.00 178.16 179.95 1dof h GLU 162 N 0.62 0.81 -0.32 1.82 5.08 -1.02 -1.80 114.58 119.77 1dof h GLU 162 Ca 0.16 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1dof h GLU 162 Cb 0.05 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1dof h GLU 162 CO -0.03 0.54 -0.06 1.25 -1.00 0.00 0.00 179.01 179.71 1dof h LEU 163 N 0.84 0.49 -0.45 1.33 5.85 -0.39 -2.50 115.31 120.48 1dof h LEU 163 Ca 0.29 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1dof h LEU 163 Cb 0.04 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1dof h LEU 163 CO -0.12 0.60 0.10 0.22 -0.34 0.00 0.00 178.44 178.91 1dof h TYR 164 N 0.48 0.76 -0.24 1.25 3.20 -0.65 0.10 116.97 121.87 1dof h TYR 164 Ca 0.10 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1dof h TYR 164 Cb 0.41 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1dof h TYR 164 CO 0.01 0.70 0.03 0.82 -1.64 0.00 0.00 178.16 178.08 1dof h ILE 165 N 0.59 0.87 -0.71 1.81 2.04 -0.92 -0.23 117.51 120.96 1dof h ILE 165 Ca 0.14 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1dof h ILE 165 Cb 0.33 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1dof h ILE 165 CO 0.00 0.02 0.45 0.00 0.00 0.00 0.00 178.15 178.62 1dof h ALA 166 N 1.19 1.45 -0.67 1.87 0.00 -1.12 -1.50 119.26 120.47 1dof h ALA 166 Ca 0.11 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1dof h ALA 166 Cb 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1dof h ALA 166 CO -0.16 0.49 0.12 0.00 0.00 0.00 0.00 179.25 179.69 1dof h ARG 168 N 1.04 1.11 -0.76 0.00 2.47 -0.46 -0.23 114.38 117.54 1dof h ARG 168 Ca 0.21 -0.17 -0.06 0.00 -1.26 0.00 0.00 59.98 58.70 1dof h ARG 168 Cb 0.44 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.53 1dof h ARG 168 CO 0.01 0.87 0.26 0.37 0.56 0.00 0.00 179.97 182.04 1dof h GLN 169 N 1.09 1.16 -0.18 0.04 5.75 -0.89 -2.07 115.11 120.02 1dof h GLN 169 Ca 0.26 -0.24 -0.11 0.00 -0.15 0.00 0.00 58.65 58.42 1dof h GLN 169 Cb 0.14 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1dof h GLN 169 CO -0.03 0.97 -0.34 1.25 -2.65 0.00 0.00 178.83 178.03 1dof h LEU 170 N 1.12 0.39 -0.62 -2.39 5.85 -0.67 -2.24 115.31 116.75 1dof h LEU 170 Ca 0.25 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 1dof h LEU 170 Cb 0.28 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1dof h LEU 170 CO -0.01 0.71 -0.13 0.00 -0.34 0.00 0.00 178.44 178.67 1dof h ALA 171 N 1.31 0.82 -0.75 1.25 0.00 -0.61 -0.41 119.26 120.88 1dof h ALA 171 Ca 0.04 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1dof h ALA 171 Cb 0.76 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1dof h ALA 171 CO 0.06 0.66 0.24 1.25 0.00 0.00 0.00 179.25 181.45 1dof h LEU 172 N 0.84 1.09 -0.14 0.00 5.85 -1.21 -1.58 115.31 120.16 1dof h LEU 172 Ca 0.13 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1dof h LEU 172 Cb 0.68 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1dof h LEU 172 CO 0.05 1.01 0.09 0.00 -0.34 0.00 0.00 178.44 179.24 1dof h ALA 173 N 1.12 0.17 -0.84 1.25 0.00 -1.01 -2.70 119.26 117.26 1dof h ALA 173 Ca 0.24 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1dof h ALA 173 Cb 0.30 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1dof h ALA 173 CO -0.01 -0.33 0.56 1.49 0.00 0.00 0.00 179.25 180.96 1dof h GLU 174 N 0.17 1.10 -0.99 0.00 4.81 -0.76 -1.38 114.58 117.53 1dof h GLU 174 Ca 0.05 -0.07 0.20 0.00 -0.13 0.00 0.00 59.36 59.41 1dof h GLU 174 Cb -0.00 -0.25 -0.10 0.00 0.63 0.00 0.00 28.75 29.03 1dof h GLU 174 CO -0.01 0.73 0.62 1.49 -0.73 0.00 0.00 179.01 181.10 1dof h GLU 175 N 1.13 0.63 -0.34 1.92 4.81 -0.98 -2.27 114.58 119.49 1dof h GLU 175 Ca 0.31 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1dof h GLU 175 Cb -0.12 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.12 1dof h GLU 175 CO -0.07 0.42 0.00 1.19 -0.73 0.00 0.00 179.01 179.81 1dof n PHE 176 N -4.69 0.43 -2.84 0.92 3.01 -0.56 -4.75 117.46 108.98 1dof n PHE 176 Ca 0.23 -0.22 -0.43 0.00 1.01 0.00 0.00 57.45 58.04 1dof n PHE 176 Cb 0.63 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.06 1dof n PHE 176 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1dof s ILE 177 N -1.57 4.34 0.09 4.37 -1.09 -0.85 -4.78 121.20 121.70 1dof s ILE 177 Ca 0.37 -0.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.80 1dof s ILE 177 Cb 0.22 -4.62 -0.04 0.00 -1.58 0.00 0.00 42.46 36.45 1dof s ILE 177 CO 0.31 -1.30 -0.08 -0.13 -1.23 0.00 0.00 174.94 172.51 1dof s ARG 178 N 4.06 0.80 0.62 2.79 0.52 -1.26 -4.90 118.95 121.59 1dof s ARG 178 Ca 0.26 -1.20 -0.18 0.00 -0.52 0.00 0.00 55.73 54.10 1dof s ARG 178 Cb -0.14 -0.35 -0.03 0.00 0.52 0.00 0.00 34.95 34.95 1dof s ARG 178 CO 0.15 0.03 1.09 0.00 0.02 0.00 0.00 175.30 176.59 1dof n ALA 179 N 0.37 0.56 -3.89 2.13 0.00 -0.51 -4.67 120.51 114.50 1dof n ALA 179 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.99 1dof n ALA 179 Cb 0.59 -2.20 -0.15 0.00 0.00 0.00 0.00 19.45 17.69 1dof n ALA 179 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1dof s LYS 180 N -3.01 1.31 -0.38 0.00 2.36 -1.26 -1.14 119.74 117.62 1dof s LYS 180 Ca 0.79 -1.10 0.03 0.00 -2.55 0.00 0.00 55.97 53.14 1dof s LYS 180 Cb -0.40 -2.51 0.11 0.00 -1.05 0.00 0.00 37.83 33.98 1dof s LYS 180 CO 0.44 -0.74 0.13 0.42 1.55 0.00 0.00 175.35 177.15 1dof s ILE 181 N 1.41 1.88 0.00 5.43 -1.09 -1.26 -4.37 121.20 123.20 1dof s ILE 181 Ca 0.01 -2.36 0.00 0.00 -2.23 0.00 0.00 60.65 56.07 1dof s ILE 181 Cb -0.18 -2.37 0.00 0.00 -1.58 0.00 0.00 42.46 38.33 1dof s ILE 181 CO -0.11 -0.70 0.00 0.61 -1.23 0.00 0.00 174.94 173.51 1dof n GLY 182 N 4.05 1.00 0.41 6.18 0.00 -1.26 -4.79 105.19 110.78 1dof n GLY 182 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 1dof n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dof n GLY 183 N 0.00 -2.22 0.24 -0.02 0.00 -1.26 -1.04 105.19 100.89 1dof n GLY 183 Ca 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 46.02 44.50 1dof n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dof n ALA 184 N -1.10 -0.18 -1.09 4.61 0.00 -1.26 -1.99 120.51 119.50 1dof n ALA 184 Ca 0.00 0.58 0.05 0.00 0.00 0.00 0.00 53.44 54.07 1dof n ALA 184 Cb 0.07 -0.21 0.07 0.00 0.00 0.00 0.00 19.45 19.38 1dof n ALA 184 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1dof n VAL 185 N -4.85 1.12 -0.42 0.00 0.24 -1.26 -4.16 118.33 108.99 1dof n VAL 185 Ca 0.05 -1.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.04 1dof n VAL 185 Cb 0.22 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1dof n VAL 185 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dof n GLY 186 N -0.81 1.08 0.02 7.63 0.00 -0.84 -3.59 105.19 108.69 1dof n GLY 186 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1dof n GLY 186 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dof n THR 187 N -2.00 0.00 -1.71 2.61 -2.24 -1.18 -4.61 114.28 105.15 1dof n THR 187 Ca 0.00 -0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 1dof n THR 187 Cb 0.00 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.03 1dof n THR 187 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1dof n MET 188 N -1.39 -1.35 -0.35 -0.78 0.00 -0.21 -4.88 117.12 108.16 1dof n MET 188 Ca 0.08 1.12 -0.03 0.00 0.00 0.00 0.00 57.70 58.86 1dof n MET 188 Cb 0.33 -5.47 0.10 0.00 0.00 0.00 0.00 33.22 28.18 1dof n MET 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1dof h ALA 189 N 0.18 1.21 -0.98 3.04 0.00 -1.90 -1.07 119.26 119.74 1dof h ALA 189 Ca -0.40 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 54.58 1dof h ALA 189 Cb 1.25 -0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.57 1dof h ALA 189 CO 0.56 0.67 0.61 0.66 0.00 0.00 0.00 179.25 181.75 1dof h SER 190 N 1.29 0.73 0.56 0.00 4.64 -1.90 -1.54 113.55 117.34 1dof h SER 190 Ca 0.33 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1dof h SER 190 Cb -0.03 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1dof h SER 190 CO -0.06 0.29 -1.09 0.79 -0.87 0.00 0.00 176.83 175.89 1dof n TRP 191 N -4.69 0.43 -0.75 4.77 8.01 -0.80 -4.90 117.44 119.51 1dof n TRP 191 Ca 0.22 0.13 0.00 0.00 -1.31 0.00 0.00 57.50 56.53 1dof n TRP 191 Cb 0.57 -0.59 0.00 0.00 -2.01 0.00 0.00 31.31 29.28 1dof n TRP 191 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1dof n GLY 192 N 1.31 3.09 0.32 6.99 0.00 -0.47 -2.73 105.19 113.69 1dof n GLY 192 Ca 0.01 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.99 1dof n GLY 192 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1dof h GLU 193 N 0.00 0.62 0.00 1.61 4.11 -1.91 -2.83 114.58 116.18 1dof h GLU 193 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1dof h GLU 193 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1dof h GLU 193 CO 0.00 0.41 0.00 1.28 0.07 0.00 0.00 179.01 180.77 1dof n LEU 194 N -4.86 0.00 0.10 3.06 4.77 -1.11 -3.83 117.00 115.13 1dof n LEU 194 Ca 0.18 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.03 1dof n LEU 194 Cb 0.46 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 1dof n LEU 194 CO 0.21 0.00 0.65 1.23 -1.33 0.00 0.00 177.39 178.15 1dof h GLY 195 N 5.49 -0.59 1.10 -0.72 0.00 -1.58 1.19 103.07 107.96 1dof h GLY 195 Ca 0.00 0.39 0.05 0.00 0.00 0.00 0.00 47.33 47.77 1dof h GLY 195 CO 0.00 -0.24 0.47 1.41 0.00 0.00 0.00 176.54 178.18 1dof h LEU 196 N -0.53 0.69 0.03 3.11 4.07 -1.81 0.56 115.31 121.43 1dof h LEU 196 Ca 0.04 -0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.76 1dof h LEU 196 Cb 0.57 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 1dof h LEU 196 CO -0.21 0.46 -1.16 -0.33 -1.08 0.00 0.00 178.44 176.11 1dof h GLU 197 N 0.79 0.07 -0.09 1.13 4.39 -1.56 -2.37 114.58 116.94 1dof h GLU 197 Ca 0.30 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 1dof h GLU 197 Cb 0.18 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1dof h GLU 197 CO -0.09 0.99 0.04 0.28 -1.16 0.00 0.00 179.01 179.07 1dof h VAL 198 N 0.02 1.10 0.47 3.13 2.07 0.29 -0.31 116.25 123.02 1dof h VAL 198 Ca -0.08 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1dof h VAL 198 Cb 1.85 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1dof h VAL 198 CO 0.14 0.09 -0.23 -0.09 0.02 0.00 0.00 177.57 177.50 1dof h ARG 199 N 0.03 -0.61 -0.49 1.57 2.43 -0.96 -0.87 114.38 115.48 1dof h ARG 199 Ca 0.03 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.32 1dof h ARG 199 Cb 0.10 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.72 1dof h ARG 199 CO -0.00 -0.40 0.12 -0.09 -1.51 0.00 0.00 179.97 178.08 1dof h ARG 200 N -0.63 0.26 -0.33 0.20 2.43 -1.41 -1.08 114.38 113.80 1dof h ARG 200 Ca -0.06 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.94 1dof h ARG 200 Cb 0.48 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1dof h ARG 200 CO 0.11 0.17 -0.39 0.00 -1.51 0.00 0.00 179.97 178.35 1dof h ARG 201 N 0.26 0.79 -0.43 0.20 3.08 -0.88 -1.19 114.38 116.22 1dof h ARG 201 Ca 0.25 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1dof h ARG 201 Cb 0.31 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1dof h ARG 201 CO -0.30 1.04 0.19 0.28 -1.07 0.00 0.00 179.97 180.11 1dof h VAL 202 N 0.65 1.19 -0.55 2.04 2.07 -0.94 -1.09 116.25 119.62 1dof h VAL 202 Ca 0.05 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 1dof h VAL 202 Cb 0.95 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1dof h VAL 202 CO 0.09 0.21 0.07 0.00 0.02 0.00 0.00 177.57 177.96 1dof h ALA 203 N 1.04 0.73 -0.46 1.67 0.00 -1.00 -2.13 119.26 119.10 1dof h ALA 203 Ca 0.14 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1dof h ALA 203 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1dof h ALA 203 CO -0.02 0.48 0.06 1.05 0.00 0.00 0.00 179.25 180.82 1dof h GLU 204 N 0.80 0.77 -0.48 0.00 4.11 -1.19 0.15 114.58 118.74 1dof h GLU 204 Ca 0.16 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1dof h GLU 204 Cb 0.43 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1dof h GLU 204 CO 0.01 0.80 0.30 0.07 0.07 0.00 0.00 179.01 180.27 1dof h ARG 205 N 0.63 0.64 -0.00 1.06 -0.00 -1.02 -0.84 114.38 114.85 1dof h ARG 205 Ca 0.14 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 60.07 1dof h ARG 205 Cb 0.41 -0.14 0.00 0.00 -0.00 0.00 0.00 29.97 30.24 1dof h ARG 205 CO 0.01 0.44 -0.24 1.28 -0.00 0.00 0.00 179.97 181.46 1dof n LEU 206 N -4.45 0.51 -0.91 0.08 4.77 -0.82 -4.95 117.00 111.25 1dof n LEU 206 Ca 0.04 0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.98 1dof n LEU 206 Cb 0.06 -0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1dof n LEU 206 CO 0.36 0.11 -0.09 0.61 -1.33 0.00 0.00 177.39 177.04 1dof n GLY 207 N 1.40 0.06 3.38 -0.72 0.00 -0.32 -5.03 105.19 103.95 1dof n GLY 207 Ca 0.10 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1dof n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dof s LEU 208 N -2.26 2.29 0.87 0.99 1.43 0.39 -5.01 118.68 117.38 1dof s LEU 208 Ca 0.01 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.33 1dof s LEU 208 Cb -0.00 -1.27 0.11 0.00 0.03 0.00 0.00 46.19 45.06 1dof s LEU 208 CO 0.01 0.21 1.10 -2.16 0.23 0.00 0.00 176.35 175.74 1dof s PRO 209 N -1.71 1.47 0.10 1.29 0.04 -1.26 -4.28 135.00 130.65 1dof s PRO 209 Ca 0.13 0.66 0.04 0.00 0.04 0.00 0.00 61.00 61.88 1dof s PRO 209 Cb -0.10 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 1dof s PRO 209 CO 0.05 -2.05 -0.12 -3.38 0.04 0.00 0.00 177.00 171.54 1dof s HIS 210 N -3.06 1.16 0.34 0.56 -3.43 -1.26 -1.43 115.29 108.17 1dof s HIS 210 Ca 0.63 -0.58 -0.29 0.00 -0.80 0.00 0.00 55.06 54.02 1dof s HIS 210 Cb -0.16 -0.63 -0.10 0.00 -1.43 0.00 0.00 32.58 30.25 1dof s HIS 210 CO 0.56 0.05 1.33 -1.01 -2.00 0.00 0.00 174.74 173.66 1dof s HIS 211 N -2.08 2.99 0.27 0.38 3.76 -0.29 -4.86 115.29 115.46 1dof s HIS 211 Ca 0.04 1.39 0.01 0.00 -0.15 0.00 0.00 55.06 56.35 1dof s HIS 211 Cb -0.05 -3.72 0.38 0.00 1.11 0.00 0.00 32.58 30.30 1dof s HIS 211 CO 0.01 -1.99 1.71 -0.24 -0.85 0.00 0.00 174.74 173.38 1dof h VAL 212 N 3.00 1.26 -2.27 -0.90 3.04 -2.00 -3.45 116.25 114.93 1dof h VAL 212 Ca -0.49 -1.26 -0.07 0.00 -1.01 0.00 0.00 66.70 63.86 1dof h VAL 212 Cb 1.23 1.31 -0.20 0.00 -2.01 0.00 0.00 31.29 31.62 1dof h VAL 212 CO 0.65 0.40 0.06 -0.51 -1.01 0.00 0.00 177.57 177.16 1dof s ILE 213 N -4.53 0.01 0.31 3.17 2.07 -1.26 -5.18 121.20 115.80 1dof s ILE 213 Ca -0.07 -0.11 -0.08 0.00 -1.41 0.00 0.00 60.65 58.99 1dof s ILE 213 Cb 0.14 -0.89 0.01 0.00 0.13 0.00 0.00 42.46 41.84 1dof s ILE 213 CO 0.80 -0.06 0.51 0.42 -1.91 0.00 0.00 174.94 174.70 1dof s THR 214 N -0.96 0.00 0.00 4.00 -4.23 -1.26 -4.86 115.64 108.33 1dof s THR 214 Ca -0.10 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1dof s THR 214 Cb -0.02 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.29 1dof s THR 214 CO 0.07 0.00 0.00 0.35 -0.54 0.00 0.00 174.62 174.50 1dof n THR 215 N -0.49 0.00 0.29 3.99 -2.24 -1.26 -4.31 114.28 110.25 1dof n THR 215 Ca -0.01 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.92 1dof n THR 215 Cb 0.62 0.00 0.86 0.00 -2.10 0.00 0.00 70.33 69.71 1dof n THR 215 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1dof h GLN 216 N 0.00 0.00 -5.67 -0.78 4.15 -1.48 -2.93 115.11 108.40 1dof h GLN 216 Ca 0.00 0.00 -0.48 0.00 0.77 0.00 0.00 58.65 58.94 1dof h GLN 216 Cb 0.00 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 27.55 1dof h GLN 216 CO 0.00 0.05 -0.74 0.14 -1.93 0.00 0.00 178.83 176.35 1dof s VAL 217 N -4.39 1.86 0.46 2.39 -7.23 -1.26 -4.57 120.40 107.67 1dof s VAL 217 Ca -0.04 -2.24 -0.24 0.00 -1.81 0.00 0.00 61.98 57.65 1dof s VAL 217 Cb 0.14 -2.10 -0.07 0.00 0.56 0.00 0.00 36.38 34.91 1dof s VAL 217 CO 0.55 -0.56 1.32 0.00 -0.31 0.00 0.00 175.10 176.10 1dof s ALA 218 N -2.90 3.08 0.12 1.32 0.00 -1.26 -4.81 121.76 117.32 1dof s ALA 218 Ca 0.24 1.25 -0.31 0.00 0.00 0.00 0.00 51.96 53.14 1dof s ALA 218 Cb -0.01 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 1dof s ALA 218 CO 0.08 -1.02 1.83 -1.25 0.00 0.00 0.00 175.76 175.41 1dof s PRO 219 N -2.55 4.14 0.00 0.00 0.04 -1.26 -4.86 135.00 130.50 1dof s PRO 219 Ca 0.63 2.60 0.08 0.00 0.04 0.00 0.00 61.00 64.35 1dof s PRO 219 Cb -0.38 -3.59 0.38 0.00 0.04 0.00 0.00 34.50 30.95 1dof s PRO 219 CO 0.47 -0.84 1.22 0.54 0.04 0.00 0.00 177.00 178.43 1dof n ARG 220 N 5.67 0.04 -0.37 4.56 3.00 -1.26 -1.86 116.66 126.45 1dof n ARG 220 Ca 0.18 0.30 -0.02 0.00 -0.01 0.00 0.00 57.85 58.30 1dof n ARG 220 Cb 0.38 -1.50 0.11 0.00 0.00 0.00 0.00 32.46 31.45 1dof n ARG 220 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1dof h GLU 221 N 0.00 1.31 -0.46 5.56 3.07 -1.89 -1.62 114.58 120.56 1dof h GLU 221 Ca 0.00 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1dof h GLU 221 Cb 0.12 -0.29 -0.02 0.00 -0.84 0.00 0.00 28.75 27.72 1dof h GLU 221 CO 0.00 0.88 0.26 0.66 -1.40 0.00 0.00 179.01 179.41 1dof h SER 222 N 1.34 0.57 0.45 1.42 4.64 -1.67 -1.89 113.55 118.41 1dof h SER 222 Ca 0.36 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.54 1dof h SER 222 Cb -0.13 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.81 1dof h SER 222 CO -0.07 0.49 -0.28 -0.26 -0.87 0.00 0.00 176.83 175.83 1dof h PHE 223 N 0.60 0.00 -0.37 4.77 -1.00 -1.57 -2.48 116.94 116.90 1dof h PHE 223 Ca 0.16 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.82 1dof h PHE 223 Cb 0.04 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 1dof h PHE 223 CO -0.02 0.28 -0.25 0.00 -1.61 0.00 0.00 178.31 176.70 1dof h ALA 224 N 1.72 0.53 -0.67 2.45 0.00 -0.95 0.81 119.26 123.15 1dof h ALA 224 Ca -0.00 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.53 1dof h ALA 224 Cb 0.58 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1dof h ALA 224 CO 0.04 0.54 0.43 0.28 0.00 0.00 0.00 179.25 180.53 1dof h VAL 225 N 0.63 1.12 0.10 0.00 2.07 -1.18 -0.97 116.25 118.02 1dof h VAL 225 Ca 0.07 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1dof h VAL 225 Cb 0.82 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1dof h VAL 225 CO 0.07 0.16 -0.18 0.25 0.02 0.00 0.00 177.57 177.89 1dof h LEU 226 N 0.86 -0.49 -0.62 2.57 6.46 -1.07 -1.03 115.31 121.98 1dof h LEU 226 Ca 0.26 0.06 0.05 0.00 -0.12 0.00 0.00 57.88 58.12 1dof h LEU 226 Cb -0.03 0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.04 1dof h LEU 226 CO -0.08 -0.26 0.35 0.00 -0.62 0.00 0.00 178.44 177.83 1dof h ALA 227 N 0.49 0.82 -0.75 1.25 0.00 -0.46 -1.34 119.26 119.26 1dof h ALA 227 Ca 0.03 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1dof h ALA 227 Cb 0.36 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1dof h ALA 227 CO -0.10 0.05 0.48 0.77 0.00 0.00 0.00 179.25 180.45 1dof h SER 228 N 0.68 0.79 -0.33 0.00 0.02 -0.77 -0.38 113.55 113.55 1dof h SER 228 Ca 0.27 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.10 1dof h SER 228 Cb 0.12 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1dof h SER 228 CO -0.15 0.55 -0.20 0.00 -1.14 0.00 0.00 176.83 175.89 1dof h ALA 229 N 1.31 0.87 -0.31 3.77 0.00 -0.50 -0.85 119.26 123.55 1dof h ALA 229 Ca 0.30 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1dof h ALA 229 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1dof h ALA 229 CO -0.11 0.63 0.01 -0.07 0.00 0.00 0.00 179.25 179.71 1dof h LEU 230 N 0.71 0.53 -0.84 0.00 4.07 -0.77 -1.31 115.31 117.71 1dof h LEU 230 Ca 0.10 -0.30 -0.09 0.00 0.08 0.00 0.00 57.88 57.67 1dof h LEU 230 Cb 0.72 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 1dof h LEU 230 CO 0.06 0.71 -0.13 0.00 -1.08 0.00 0.00 178.44 177.99 1dof h ALA 231 N 0.85 1.02 -0.16 1.53 0.00 -0.94 -2.21 119.26 119.36 1dof h ALA 231 Ca 0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1dof h ALA 231 Cb 0.43 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1dof h ALA 231 CO 0.01 0.59 -0.06 1.25 0.00 0.00 0.00 179.25 181.04 1dof h LEU 232 N 0.65 0.33 -0.63 0.00 5.85 -1.01 -1.07 115.31 119.43 1dof h LEU 232 Ca 0.11 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.43 1dof h LEU 232 Cb 0.60 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1dof h LEU 232 CO 0.04 0.65 0.41 -0.03 -0.34 0.00 0.00 178.44 179.17 1dof h MET 233 N -0.00 0.83 -0.70 1.25 4.05 -1.21 -1.76 114.93 117.38 1dof h MET 233 Ca 0.04 -0.05 0.05 0.00 -0.28 0.00 0.00 59.70 59.45 1dof h MET 233 Cb 0.53 -0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 31.10 1dof h MET 233 CO 0.02 0.55 0.46 0.00 0.23 0.00 0.00 176.91 178.17 1dof h ALA 234 N 1.23 1.65 -0.20 0.39 0.00 -1.29 -2.57 119.26 118.47 1dof h ALA 234 Ca 0.23 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1dof h ALA 234 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1dof h ALA 234 CO -0.05 0.26 -0.51 0.00 0.00 0.00 0.00 179.25 178.95 1dof h ALA 235 N 1.60 0.72 -0.57 0.00 0.00 -0.42 0.72 119.26 121.31 1dof h ALA 235 Ca 0.29 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1dof h ALA 235 Cb 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1dof h ALA 235 CO -0.09 0.68 0.36 0.28 0.00 0.00 0.00 179.25 180.48 1dof h VAL 236 N 0.45 1.09 -0.04 0.00 2.07 -0.94 -1.36 116.25 117.52 1dof h VAL 236 Ca 0.02 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 1dof h VAL 236 Cb 1.05 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1dof h VAL 236 CO 0.10 0.13 -0.47 -0.26 0.02 0.00 0.00 177.57 177.09 1dof h PHE 237 N 0.72 0.11 -0.17 1.57 -1.00 -1.27 -2.07 116.94 114.82 1dof h PHE 237 Ca 0.22 -0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.97 1dof h PHE 237 Cb -0.02 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 1dof h PHE 237 CO -0.05 0.55 0.10 1.49 -1.61 0.00 0.00 178.31 178.80 1dof h GLU 238 N 0.08 0.21 -0.71 1.51 4.81 -0.56 0.18 114.58 120.10 1dof h GLU 238 Ca 0.00 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1dof h GLU 238 Cb 0.87 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.17 1dof h GLU 238 CO 0.07 0.14 0.47 -0.09 -0.73 0.00 0.00 179.01 178.86 1dof h ARG 239 N 0.21 0.92 -0.56 1.92 2.43 -0.86 -0.74 114.38 117.71 1dof h ARG 239 Ca 0.07 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 1dof h ARG 239 Cb -0.01 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1dof h ARG 239 CO -0.03 0.61 0.05 1.25 -1.51 0.00 0.00 179.97 180.34 1dof h LEU 240 N 0.95 0.92 -0.28 3.80 5.85 -0.93 -1.44 115.31 124.17 1dof h LEU 240 Ca 0.26 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1dof h LEU 240 Cb -0.10 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 1dof h LEU 240 CO -0.06 0.97 0.10 0.00 -0.34 0.00 0.00 178.44 179.11 1dof h ALA 241 N 0.98 0.37 -0.73 1.25 0.00 -0.47 -0.22 119.26 120.45 1dof h ALA 241 Ca 0.16 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1dof h ALA 241 Cb 0.47 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1dof h ALA 241 CO 0.02 -0.02 0.44 0.28 0.00 0.00 0.00 179.25 179.97 1dof h VAL 242 N 0.30 1.04 -0.23 0.00 2.07 -1.01 0.29 116.25 118.71 1dof h VAL 242 Ca 0.09 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1dof h VAL 242 Cb 0.21 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1dof h VAL 242 CO -0.01 0.15 0.05 -0.08 0.02 0.00 0.00 177.57 177.70 1dof h GLU 243 N 0.83 0.38 -0.63 1.57 4.81 -0.93 -1.07 114.58 119.54 1dof h GLU 243 Ca 0.31 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1dof h GLU 243 Cb 0.11 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1dof h GLU 243 CO -0.15 0.50 0.09 0.82 -0.73 0.00 0.00 179.01 179.54 1dof h ILE 244 N 0.19 1.26 -0.87 2.32 2.04 -0.85 -0.36 117.51 121.23 1dof h ILE 244 Ca 0.07 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 64.92 1dof h ILE 244 Cb 0.30 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1dof h ILE 244 CO 0.00 0.38 0.57 0.03 0.00 0.00 0.00 178.15 179.14 1dof h ARG 245 N 0.97 1.15 -0.03 2.37 3.08 -0.60 0.09 114.38 121.41 1dof h ARG 245 Ca 0.19 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 1dof h ARG 245 Cb 0.44 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1dof h ARG 245 CO 0.01 0.76 -0.05 0.93 -1.07 0.00 0.00 179.97 180.56 1dof h GLU 246 N 1.18 0.08 0.00 0.04 4.39 -0.68 -3.20 114.58 116.40 1dof h GLU 246 Ca 0.32 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1dof h GLU 246 Cb -0.13 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1dof h GLU 246 CO -0.07 0.62 0.00 -0.07 -1.16 0.00 0.00 179.01 178.33 1dof h LEU 247 N -0.45 0.00 -0.29 1.33 3.38 -0.93 -1.05 115.31 117.30 1dof h LEU 247 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dof h LEU 247 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1dof h LEU 247 CO 0.01 0.00 0.00 0.28 0.09 0.00 0.00 178.44 178.82 1dof h SER 248 N 0.00 0.00 -3.28 -0.43 0.02 -0.64 -0.66 113.55 108.56 1dof h SER 248 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 1dof h SER 248 Cb 0.24 0.00 0.15 0.00 0.14 0.00 0.00 62.40 62.93 1dof h SER 248 CO 0.00 0.00 0.02 0.54 -1.14 0.00 0.00 176.83 176.25 1dof n ARG 249 N -2.58 0.95 0.05 3.45 1.74 -0.40 -4.55 116.66 115.33 1dof n ARG 249 Ca 0.04 0.36 0.12 0.00 -0.77 0.00 0.00 57.85 57.60 1dof n ARG 249 Cb 0.41 -2.03 0.59 0.00 -1.02 0.00 0.00 32.46 30.41 1dof n ARG 249 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1dof h PRO 250 N 0.76 0.18 0.00 5.56 0.13 -1.91 0.35 132.00 137.07 1dof h PRO 250 Ca -0.47 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1dof h PRO 250 Cb 1.36 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1dof h PRO 250 CO 0.52 0.12 -0.01 0.93 -0.23 0.00 0.00 178.00 179.33 1dof h GLU 251 N 0.19 0.00 0.00 0.86 3.07 -1.95 -3.38 114.58 113.38 1dof h GLU 251 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1dof h GLU 251 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1dof h GLU 251 CO -0.03 0.01 -0.64 -0.89 -1.40 0.00 0.00 179.01 176.07 1dof n ILE 252 N -3.10 1.31 -3.76 3.13 5.41 -0.35 -5.05 119.36 116.94 1dof n ILE 252 Ca 0.03 0.23 -0.27 0.00 1.00 0.00 0.00 62.75 63.74 1dof n ILE 252 Cb 0.44 -2.05 0.05 0.00 -0.71 0.00 0.00 39.64 37.37 1dof n ILE 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dof n GLY 253 N 2.09 -0.52 0.13 7.39 0.00 0.11 -4.82 105.19 109.57 1dof n GLY 253 Ca -0.09 0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1dof n GLY 253 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dof n GLU 254 N -4.84 0.66 -3.62 1.61 1.02 -0.28 -4.55 120.64 110.65 1dof n GLU 254 Ca 0.03 0.33 -0.29 0.00 -0.02 0.00 0.00 57.16 57.20 1dof n GLU 254 Cb 0.54 -1.65 -0.15 0.00 -0.02 0.00 0.00 31.44 30.16 1dof n GLU 254 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1dof s VAL 255 N -2.49 0.34 -0.23 2.62 1.01 -1.16 -1.30 120.40 119.19 1dof s VAL 255 Ca -0.29 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.60 1dof s VAL 255 Cb 0.08 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1dof s VAL 255 CO 0.65 -0.72 -0.06 -0.69 0.00 0.00 0.00 175.10 174.29 1dof s VAL 256 N 1.86 3.18 0.56 2.92 1.01 -0.23 -2.45 120.40 127.25 1dof s VAL 256 Ca 0.10 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 1dof s VAL 256 Cb -0.17 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1dof s VAL 256 CO -0.31 0.37 1.04 -0.70 0.00 0.00 0.00 175.10 175.50 1dof s GLU 257 N 1.43 3.50 0.00 2.72 2.12 -1.26 -0.82 118.70 126.39 1dof s GLU 257 Ca 0.04 1.18 0.00 0.00 0.36 0.00 0.00 54.97 56.55 1dof s GLU 257 Cb -0.15 -2.06 0.00 0.00 0.26 0.00 0.00 34.13 32.18 1dof s GLU 257 CO -0.04 -0.66 0.00 0.41 -0.54 0.00 0.00 175.26 174.43 1dof n GLY 258 N -1.01 0.98 0.00 -1.50 0.00 -1.26 -4.71 105.19 97.69 1dof n GLY 258 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1dof n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dof n GLY 259 N 0.00 1.50 2.74 -0.02 0.00 -1.26 -5.01 105.19 103.15 1dof n GLY 259 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 1dof n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dof s ALA 269 N 0.00 -4.36 -0.17 4.61 0.00 -1.26 -4.37 121.76 116.21 1dof s ALA 269 Ca 0.00 0.94 -0.13 0.00 0.00 0.00 0.00 51.96 52.77 1dof s ALA 269 Cb 0.00 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 1dof s ALA 269 CO 0.00 -2.50 0.28 -0.80 0.00 0.00 0.00 175.76 172.74 1dof s ASN 270 N 1.55 6.40 -1.53 0.00 0.01 -1.26 -4.96 114.94 115.15 1dof s ASN 270 Ca 0.18 0.46 -0.12 0.00 -0.71 0.00 0.00 52.86 52.68 1dof s ASN 270 Cb 0.07 -2.17 -0.01 0.00 0.41 0.00 0.00 41.25 39.54 1dof s ASN 270 CO -0.13 0.10 2.55 -0.81 -1.51 0.00 0.00 177.10 177.30 1dof n PRO 271 N 3.64 3.28 0.17 -0.60 -0.04 -1.26 -4.71 135.00 135.48 1dof n PRO 271 Ca -0.12 -2.47 0.05 0.00 -0.04 0.00 0.00 63.50 60.92 1dof n PRO 271 Cb 0.52 -3.05 0.21 0.00 -0.04 0.00 0.00 33.50 31.13 1dof n PRO 271 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1dof h THR 272 N 3.53 0.77 -0.02 0.52 1.35 -1.95 -1.49 112.91 115.61 1dof h THR 272 Ca 0.70 -1.76 -0.17 0.00 -0.55 0.00 0.00 66.41 64.64 1dof h THR 272 Cb 0.48 2.14 0.01 0.00 -1.73 0.00 0.00 68.15 69.05 1dof h THR 272 CO 1.83 0.38 -0.66 0.00 -0.25 0.00 0.00 175.52 176.83 1dof h ALA 273 N 1.61 0.11 -0.94 6.62 0.00 -1.97 -1.06 119.26 123.63 1dof h ALA 273 Ca -0.00 -0.58 0.02 0.00 0.00 0.00 0.00 54.91 54.35 1dof h ALA 273 Cb 1.11 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1dof h ALA 273 CO 0.05 0.42 0.62 0.77 0.00 0.00 0.00 179.25 181.10 1dof h SER 274 N 0.03 1.05 -0.47 0.00 0.02 -1.86 -1.12 113.55 111.20 1dof h SER 274 Ca -0.08 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 1dof h SER 274 Cb 1.35 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1dof h SER 274 CO 0.13 0.74 0.17 -0.33 -1.14 0.00 0.00 176.83 176.40 1dof h GLU 275 N 1.23 0.77 -0.46 3.45 5.08 -1.17 -2.33 114.58 121.15 1dof h GLU 275 Ca 0.36 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1dof h GLU 275 Cb -0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1dof h GLU 275 CO -0.10 0.66 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.37 1dof h ARG 276 N 0.75 0.89 -0.28 2.33 2.43 -0.50 -1.65 114.38 118.35 1dof h ARG 276 Ca 0.18 -0.34 0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1dof h ARG 276 Cb 0.21 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 1dof h ARG 276 CO -0.01 0.99 -0.04 0.82 -1.51 0.00 0.00 179.97 180.22 1dof h ILE 277 N 0.73 0.75 -0.35 1.20 2.04 -0.93 -0.65 117.51 120.30 1dof h ILE 277 Ca 0.12 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 1dof h ILE 277 Cb 0.66 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1dof h ILE 277 CO 0.05 0.01 0.22 0.58 0.00 0.00 0.00 178.15 179.00 1dof h VAL 278 N 0.03 1.11 -0.66 1.67 2.07 -1.30 0.18 116.25 119.36 1dof h VAL 278 Ca 0.13 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.47 1dof h VAL 278 Cb 0.19 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1dof h VAL 278 CO -0.26 0.11 0.35 -1.28 0.02 0.00 0.00 177.57 176.51 1dof h SER 279 N 0.46 0.49 0.58 0.57 0.87 -0.86 -2.38 113.55 113.28 1dof h SER 279 Ca 0.13 0.04 -0.19 0.00 -1.23 0.00 0.00 61.79 60.53 1dof h SER 279 Cb -0.01 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1dof h SER 279 CO -0.02 0.31 -0.86 -0.07 -0.53 0.00 0.00 176.83 175.65 1dof h LEU 280 N 0.63 0.25 -1.58 2.23 3.38 -0.89 -2.96 115.31 116.37 1dof h LEU 280 Ca 0.30 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1dof h LEU 280 Cb 0.23 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1dof h LEU 280 CO -0.21 1.00 0.29 0.00 0.09 0.00 0.00 178.44 179.61 1dof h ALA 281 N 0.99 1.70 -0.67 1.53 0.00 -0.26 0.54 119.26 123.09 1dof h ALA 281 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1dof h ALA 281 Cb 1.49 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1dof h ALA 281 CO 0.13 0.28 0.40 0.00 0.00 0.00 0.00 179.25 180.06 1dof h ARG 282 N 0.58 0.92 -0.09 0.00 3.08 -1.29 -1.62 114.38 115.96 1dof h ARG 282 Ca 0.16 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1dof h ARG 282 Cb -0.06 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 1dof h ARG 282 CO -0.03 0.67 0.00 -0.92 -1.07 0.00 0.00 179.97 178.61 1dof h TYR 283 N 0.92 0.17 -0.57 3.04 3.20 -1.02 -2.12 116.97 120.59 1dof h TYR 283 Ca 0.24 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1dof h TYR 283 Cb -0.01 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1dof h TYR 283 CO -0.01 0.40 0.26 0.28 -1.64 0.00 0.00 178.16 177.44 1dof h VAL 284 N -0.11 1.21 0.00 1.81 2.07 -0.71 -2.35 116.25 118.17 1dof h VAL 284 Ca 0.03 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 1dof h VAL 284 Cb 0.33 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1dof h VAL 284 CO 0.00 0.25 -0.28 0.08 0.02 0.00 0.00 177.57 177.64 1dof h ARG 285 N 0.77 0.00 -0.29 1.57 0.11 -1.27 -2.51 114.38 112.77 1dof h ARG 285 Ca 0.19 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.21 1dof h ARG 285 Cb 0.15 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.22 1dof h ARG 285 CO -0.02 0.28 -0.11 0.00 0.10 0.00 0.00 179.97 180.22 1dof h ALA 286 N 1.72 1.28 0.00 0.08 0.00 -0.86 -2.65 119.26 118.84 1dof h ALA 286 Ca -0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1dof h ALA 286 Cb 0.63 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1dof h ALA 286 CO 0.04 0.48 -0.00 -0.07 0.00 0.00 0.00 179.25 179.69 1dof h LEU 287 N 0.45 0.00 -1.69 0.00 3.38 -1.10 -2.34 115.31 114.01 1dof h LEU 287 Ca 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1dof h LEU 287 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1dof h LEU 287 CO 0.03 0.00 -0.19 0.71 0.09 0.00 0.00 178.44 179.08 1dof h THR 288 N 0.00 0.96 -0.42 0.22 1.35 -1.52 -2.23 112.91 111.27 1dof h THR 288 Ca -0.00 -0.68 -0.09 0.00 -0.55 0.00 0.00 66.41 65.09 1dof h THR 288 Cb 0.27 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 1dof h THR 288 CO 0.00 0.18 -0.13 -0.74 -0.25 0.00 0.00 175.52 174.59 1dof h HIS 289 N 0.00 0.84 -0.35 4.73 2.76 -1.59 -0.57 115.15 120.97 1dof h HIS 289 Ca -0.00 -0.16 -0.05 0.00 -2.20 0.00 0.00 60.37 57.97 1dof h HIS 289 Cb 0.37 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1dof h HIS 289 CO 0.00 0.84 0.04 0.28 -1.30 0.00 0.00 177.93 177.79 1dof h VAL 290 N 0.69 1.24 -0.47 5.26 2.07 -1.56 -1.38 116.25 122.09 1dof h VAL 290 Ca 0.11 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 1dof h VAL 290 Cb 0.60 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1dof h VAL 290 CO 0.04 0.29 -0.11 0.00 0.02 0.00 0.00 177.57 177.81 1dof h ALA 291 N 0.89 0.92 -0.19 1.67 0.00 -1.24 -0.58 119.26 120.72 1dof h ALA 291 Ca 0.10 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1dof h ALA 291 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1dof h ALA 291 CO 0.01 0.63 -0.54 0.74 0.00 0.00 0.00 179.25 180.09 1dof h PHE 292 N 0.78 0.70 0.00 0.00 -1.00 -0.98 -2.73 116.94 113.70 1dof h PHE 292 Ca 0.13 -0.24 -0.06 0.00 2.81 0.00 0.00 57.97 60.61 1dof h PHE 292 Cb 0.62 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 1dof h PHE 292 CO 0.04 0.97 -0.27 0.93 -1.61 0.00 0.00 178.31 178.37 1dof h GLU 293 N 0.43 0.00 0.00 1.51 5.08 -0.68 -2.64 114.58 118.28 1dof h GLU 293 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1dof h GLU 293 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1dof h GLU 293 CO 0.10 0.27 0.00 0.09 -1.00 0.00 0.00 179.01 178.47 1dof n ASN 294 N -3.76 0.46 -0.16 1.42 3.02 -0.28 -3.29 115.26 112.67 1dof n ASN 294 Ca -0.01 0.61 -0.06 0.00 -0.03 0.00 0.00 54.58 55.08 1dof n ASN 294 Cb 0.37 -0.71 0.03 0.00 -0.61 0.00 0.00 39.78 38.86 1dof n ASN 294 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1dof h VAL 295 N 0.00 1.06 -0.18 2.41 2.07 -1.43 -3.32 116.25 116.87 1dof h VAL 295 Ca 0.00 -0.20 -0.69 0.00 0.82 0.00 0.00 66.70 66.64 1dof h VAL 295 Cb 0.35 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1dof h VAL 295 CO 0.00 0.11 3.57 0.00 0.02 0.00 0.00 177.57 181.27 1dof n ALA 296 N -2.26 7.23 -1.77 1.67 0.00 -1.21 -4.74 120.51 119.44 1dof n ALA 296 Ca 0.03 -3.65 -0.35 0.00 0.00 0.00 0.00 53.44 49.46 1dof n ALA 296 Cb 0.06 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.20 1dof n ALA 296 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1dof s LEU 297 N 0.08 3.74 0.12 0.00 1.43 -1.25 -4.99 118.68 117.81 1dof s LEU 297 Ca 0.65 2.15 -0.30 0.00 -1.03 0.00 0.00 54.13 55.60 1dof s LEU 297 Cb 0.17 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.75 1dof s LEU 297 CO -0.07 -1.20 1.13 0.26 0.23 0.00 0.00 176.35 176.70 1dof s TRP 298 N -1.81 3.53 0.00 0.29 0.51 -1.26 -4.83 118.94 115.38 1dof s TRP 298 Ca 0.72 1.49 0.00 0.00 -2.12 0.00 0.00 56.10 56.19 1dof s TRP 298 Cb -0.23 -3.32 0.00 0.00 -0.81 0.00 0.00 33.47 29.10 1dof s TRP 298 CO 0.27 -0.84 0.00 0.72 -0.51 0.00 0.00 176.95 176.59 1dof n HIS 299 N 3.11 0.00 1.96 -1.98 8.25 -1.26 -1.00 115.22 124.30 1dof n HIS 299 Ca 0.05 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.63 1dof n HIS 299 Cb 0.47 0.00 0.70 0.00 1.12 0.00 0.00 29.99 32.28 1dof n HIS 299 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1dof n GLU 300 N 14.00 0.98 0.00 -0.41 4.71 -1.26 -4.88 120.64 133.78 1dof n GLU 300 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1dof n GLU 300 Cb 0.00 -1.37 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 1dof n GLU 300 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1dof n ARG 301 N -0.87 0.00 -4.30 3.49 -4.01 -0.17 -2.10 116.66 108.70 1dof n ARG 301 Ca 0.18 0.00 -0.16 0.00 -1.04 0.00 0.00 57.85 56.83 1dof n ARG 301 Cb 0.08 0.00 -0.10 0.00 -3.04 0.00 0.00 32.46 29.40 1dof n ARG 301 CO 0.00 0.00 0.00 0.16 -3.04 0.00 0.00 177.63 174.75 1dof s ASP 302 N 0.00 1.62 -0.06 2.89 1.47 -1.24 -4.62 116.67 116.73 1dof s ASP 302 Ca 0.00 -1.19 0.11 0.00 1.18 0.00 0.00 52.55 52.64 1dof s ASP 302 Cb 0.00 0.05 0.42 0.00 -0.34 0.00 0.00 42.92 43.04 1dof s ASP 302 CO 0.00 -0.52 1.27 -0.11 0.68 0.00 0.00 175.17 176.48 1dof n LEU 303 N -0.35 2.91 0.00 2.11 7.94 -1.26 -4.18 117.00 124.17 1dof n LEU 303 Ca -0.06 -1.47 0.09 0.00 -1.11 0.00 0.00 56.01 53.46 1dof n LEU 303 Cb 0.63 -0.43 0.42 0.00 0.53 0.00 0.00 43.42 44.57 1dof n LEU 303 CO 0.35 0.52 0.78 0.35 -1.11 0.00 0.00 177.39 178.29 1dof n THR 304 N 0.56 0.63 0.05 1.96 -2.24 -1.26 -1.94 114.28 112.04 1dof n THR 304 Ca 0.15 0.16 -0.07 0.00 -2.27 0.00 0.00 64.05 62.02 1dof n THR 304 Cb 0.55 -0.85 -0.12 0.00 -2.10 0.00 0.00 70.33 67.81 1dof n THR 304 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1dof h ASN 305 N 0.00 0.00 0.49 3.42 -1.07 -1.91 -3.43 115.58 113.08 1dof h ASN 305 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 1dof h ASN 305 Cb 0.26 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.51 1dof h ASN 305 CO 0.00 1.00 -0.24 -1.28 0.07 0.00 0.00 177.43 176.98 1dof h SER 306 N 0.00 -0.56 -0.59 6.14 0.87 -1.71 -2.55 113.55 115.15 1dof h SER 306 Ca -0.03 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.61 1dof h SER 306 Cb 1.79 0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 63.84 1dof h SER 306 CO 0.13 -0.40 0.28 0.00 -0.53 0.00 0.00 176.83 176.31 1dof h ALA 307 N -1.69 0.77 0.00 6.23 0.00 -1.82 -2.45 119.26 120.29 1dof h ALA 307 Ca -0.07 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1dof h ALA 307 Cb 0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1dof h ALA 307 CO 0.11 -0.08 -0.43 -2.95 0.00 0.00 0.00 179.25 175.90 1dof h ASN 308 N 0.53 0.00 -0.00 0.00 7.08 -1.82 -2.76 115.58 118.60 1dof h ASN 308 Ca 0.27 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.36 1dof h ASN 308 Cb 0.23 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.46 1dof h ASN 308 CO -0.21 0.43 -0.41 -0.33 -2.08 0.00 0.00 177.43 174.83 1dof h GLU 309 N 0.00 0.52 -0.67 4.14 5.08 -1.33 0.41 114.58 122.73 1dof h GLU 309 Ca -0.00 -0.26 0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1dof h GLU 309 Cb 1.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 1dof h GLU 309 CO 0.06 0.84 0.44 0.00 -1.00 0.00 0.00 179.01 179.35 1dof h ARG 310 N 0.43 0.61 0.00 2.33 3.08 -1.15 -2.62 114.38 117.05 1dof h ARG 310 Ca 0.04 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dof h ARG 310 Cb 0.90 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1dof h ARG 310 CO 0.08 0.40 -0.10 0.28 -1.07 0.00 0.00 179.97 179.56 1dof h VAL 311 N 0.63 0.06 -0.28 2.04 2.07 -1.36 -3.42 116.25 115.98 1dof h VAL 311 Ca 0.30 -1.05 -0.14 0.00 0.82 0.00 0.00 66.70 66.63 1dof h VAL 311 Cb 0.35 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1dof h VAL 311 CO -0.09 0.02 -0.38 4.11 0.02 0.00 0.00 177.57 181.25 1dof h TRP 312 N -1.00 0.77 0.68 1.57 5.08 -0.10 -2.60 115.95 120.35 1dof h TRP 312 Ca -0.00 -0.22 -0.03 0.00 1.08 0.00 0.00 58.89 59.72 1dof h TRP 312 Cb 0.13 -0.17 0.01 0.00 -3.00 0.00 0.00 29.16 26.13 1dof h TRP 312 CO -0.03 0.93 -0.33 0.82 -1.28 0.00 0.00 178.44 178.56 1dof h ILE 313 N 0.54 0.30 -0.60 0.12 2.04 -1.69 0.17 117.51 118.39 1dof h ILE 313 Ca 0.05 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.86 1dof h ILE 313 Cb 0.90 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 1dof h ILE 313 CO 0.08 0.01 0.32 -0.65 0.00 0.00 0.00 178.15 177.91 1dof h PRO 314 N -0.98 0.58 -0.35 2.37 0.11 -1.79 -2.13 132.00 129.80 1dof h PRO 314 Ca -0.09 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.85 1dof h PRO 314 Cb 0.72 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 1dof h PRO 314 CO 0.15 0.39 -0.32 0.93 -0.21 0.00 0.00 178.00 178.93 1dof h GLU 315 N 0.60 0.78 -0.51 1.05 5.08 -1.30 0.81 114.58 121.10 1dof h GLU 315 Ca 0.26 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1dof h GLU 315 Cb 0.16 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1dof h GLU 315 CO -0.17 0.99 0.08 0.00 -1.00 0.00 0.00 179.01 178.92 1dof h ALA 316 N 0.97 0.67 -0.31 3.43 0.00 -0.63 0.32 119.26 123.72 1dof h ALA 316 Ca 0.07 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1dof h ALA 316 Cb 0.86 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1dof h ALA 316 CO 0.08 0.40 -0.39 -0.07 0.00 0.00 0.00 179.25 179.27 1dof h LEU 317 N 0.72 0.79 -0.58 0.00 3.38 -1.18 -0.92 115.31 117.52 1dof h LEU 317 Ca 0.15 -0.35 -0.15 0.00 0.09 0.00 0.00 57.88 57.62 1dof h LEU 317 Cb 0.39 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1dof h LEU 317 CO 0.01 1.08 -0.56 -0.07 0.09 0.00 0.00 178.44 178.99 1dof h LEU 318 N 0.61 0.49 -0.24 1.67 3.38 -0.56 -1.59 115.31 119.07 1dof h LEU 318 Ca 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1dof h LEU 318 Cb 0.93 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1dof h LEU 318 CO 0.09 0.95 0.10 0.00 0.09 0.00 0.00 178.44 179.66 1dof h ALA 319 N 1.06 0.31 -0.56 1.53 0.00 -0.24 -0.27 119.26 121.10 1dof h ALA 319 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1dof h ALA 319 Cb 1.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1dof h ALA 319 CO 0.10 -0.10 0.08 1.25 0.00 0.00 0.00 179.25 180.58 1dof h LEU 320 N 0.24 0.90 -0.60 0.00 6.46 -1.10 -1.45 115.31 119.76 1dof h LEU 320 Ca 0.08 -0.27 0.06 0.00 -0.12 0.00 0.00 57.88 57.63 1dof h LEU 320 Cb 0.17 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 39.81 1dof h LEU 320 CO -0.01 0.94 0.31 -0.78 -0.62 0.00 0.00 178.44 178.28 1dof h ASP 321 N 0.82 0.44 -0.78 1.25 3.58 -1.07 0.15 116.42 120.81 1dof h ASP 321 Ca 0.17 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.69 1dof h ASP 321 Cb 0.43 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.39 1dof h ASP 321 CO 0.01 0.29 0.50 -0.08 -2.88 0.00 0.00 179.24 177.08 1dof h GLU 322 N 0.58 0.94 0.20 0.28 4.57 -0.82 0.36 114.58 120.68 1dof h GLU 322 Ca 0.27 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1dof h GLU 322 Cb 0.20 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1dof h GLU 322 CO -0.19 0.62 -0.15 0.82 -1.18 0.00 0.00 179.01 178.93 1dof h ILE 323 N 0.97 0.67 -0.71 2.32 2.04 -0.65 0.11 117.51 122.25 1dof h ILE 323 Ca 0.31 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.10 1dof h ILE 323 Cb 0.01 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1dof h ILE 323 CO -0.11 0.00 0.17 -0.07 0.00 0.00 0.00 178.15 178.13 1dof h LEU 324 N -0.36 1.09 -0.27 1.44 3.38 -0.18 0.37 115.31 120.78 1dof h LEU 324 Ca -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1dof h LEU 324 Cb 0.32 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1dof h LEU 324 CO -0.01 1.04 0.12 0.74 0.09 0.00 0.00 178.44 180.42 1dof h THR 325 N 1.08 1.16 -0.72 0.22 2.02 -0.81 -1.72 112.91 114.15 1dof h THR 325 Ca 0.22 -0.48 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 1dof h THR 325 Cb 0.38 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1dof h THR 325 CO 0.00 0.17 0.19 0.28 0.37 0.00 0.00 175.52 176.53 1dof h SER 326 N 0.29 1.08 -0.37 4.18 0.02 -0.51 -2.48 113.55 115.77 1dof h SER 326 Ca 0.09 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.73 1dof h SER 326 Cb 0.15 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1dof h SER 326 CO -0.01 1.03 -0.10 0.00 -1.14 0.00 0.00 176.83 176.61 1dof h ALA 327 N 1.10 0.51 -0.63 3.77 0.00 -0.08 -1.54 119.26 122.38 1dof h ALA 327 Ca 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1dof h ALA 327 Cb 0.36 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1dof h ALA 327 CO -0.00 0.37 0.34 1.25 0.00 0.00 0.00 179.25 181.21 1dof h LEU 328 N 0.51 0.80 -0.61 0.00 6.46 -1.25 -2.00 115.31 119.23 1dof h LEU 328 Ca 0.09 -0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 57.69 1dof h LEU 328 Cb 0.61 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1dof h LEU 328 CO 0.04 0.67 0.15 -0.09 -0.62 0.00 0.00 178.44 178.59 1dof h ARG 329 N 0.87 0.96 -0.03 1.25 2.43 -1.22 -1.49 114.38 117.14 1dof h ARG 329 Ca 0.22 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1dof h ARG 329 Cb 0.05 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1dof h ARG 329 CO -0.03 0.88 0.02 0.28 -1.51 0.00 0.00 179.97 179.60 1dof h VAL 330 N 0.88 1.07 -0.06 0.20 2.07 -1.18 -2.13 116.25 117.10 1dof h VAL 330 Ca 0.19 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1dof h VAL 330 Cb 0.34 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1dof h VAL 330 CO 0.00 0.06 0.03 -0.07 0.02 0.00 0.00 177.57 177.61 1dof h LEU 331 N -0.04 0.08 -2.27 2.57 3.38 -1.26 0.20 115.31 117.98 1dof h LEU 331 Ca 0.01 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1dof h LEU 331 Cb 0.08 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1dof h LEU 331 CO -0.00 0.18 0.09 0.11 0.09 0.00 0.00 178.44 178.90 1dof h LYS 332 N -0.02 0.00 -0.04 1.13 1.57 -1.20 -2.97 116.57 115.04 1dof h LYS 332 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1dof h LYS 332 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1dof h LYS 332 CO -0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 1dof n ASN 333 N -4.01 2.21 -4.75 0.86 3.02 -0.81 -5.03 115.26 106.75 1dof n ASN 333 Ca -0.01 -1.60 -0.37 0.00 -0.03 0.00 0.00 54.58 52.57 1dof n ASN 333 Cb 0.19 -0.02 0.04 0.00 -0.61 0.00 0.00 39.78 39.39 1dof n ASN 333 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1dof s VAL 334 N -1.15 2.46 -0.26 2.41 -7.23 0.03 -4.05 120.40 112.61 1dof s VAL 334 Ca 0.17 0.30 -0.09 0.00 -1.81 0.00 0.00 61.98 60.55 1dof s VAL 334 Cb 0.12 -3.13 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 1dof s VAL 334 CO 0.17 -0.05 0.12 -0.47 -0.31 0.00 0.00 175.10 174.57 1dof s TYR 335 N -1.50 3.15 -0.34 2.82 5.04 -0.00 -4.92 117.35 121.59 1dof s TYR 335 Ca 0.77 -0.18 -0.17 0.00 -2.44 0.00 0.00 57.07 55.05 1dof s TYR 335 Cb -0.33 -2.30 -0.01 0.00 0.35 0.00 0.00 41.96 39.67 1dof s TYR 335 CO 0.37 -0.27 0.45 0.42 -1.34 0.00 0.00 175.55 175.17 1dof s ILE 336 N 1.67 5.09 -0.70 3.14 -1.09 -1.26 -1.07 121.20 126.97 1dof s ILE 336 Ca 0.07 0.26 -0.15 0.00 -2.23 0.00 0.00 60.65 58.59 1dof s ILE 336 Cb -0.15 -3.89 0.17 0.00 -1.58 0.00 0.00 42.46 37.01 1dof s ILE 336 CO 0.07 -0.14 0.68 -0.62 -1.23 0.00 0.00 174.94 173.70 1dof s ASP 337 N 1.73 6.48 0.38 3.58 -1.08 -0.42 -4.88 116.67 122.47 1dof s ASP 337 Ca 0.16 -2.19 0.15 0.00 -0.52 0.00 0.00 52.55 50.15 1dof s ASP 337 Cb -0.16 -2.23 0.78 0.00 -1.46 0.00 0.00 42.92 39.85 1dof s ASP 337 CO 0.12 -0.76 1.83 -0.33 0.52 0.00 0.00 175.17 176.55 1dof h GLU 338 N 8.40 0.00 -0.13 4.34 5.08 -1.93 0.08 114.58 130.41 1dof h GLU 338 Ca -0.09 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1dof h GLU 338 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1dof h GLU 338 CO 0.92 0.36 -0.16 0.93 -1.00 0.00 0.00 179.01 180.05 1dof h GLU 339 N 0.00 0.34 -0.23 2.33 4.39 -1.97 -1.30 114.58 118.13 1dof h GLU 339 Ca -0.00 -0.19 -0.15 0.00 0.34 0.00 0.00 59.36 59.36 1dof h GLU 339 Cb 0.67 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1dof h GLU 339 CO 0.05 0.75 -0.48 0.00 -1.16 0.00 0.00 179.01 178.17 1dof h ARG 340 N -0.05 0.62 -0.61 2.33 3.08 -1.73 0.12 114.38 118.14 1dof h ARG 340 Ca 0.02 -0.35 0.04 0.00 0.07 0.00 0.00 59.98 59.75 1dof h ARG 340 Cb 0.70 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.73 1dof h ARG 340 CO 0.04 0.96 0.36 0.82 -1.07 0.00 0.00 179.97 181.08 1dof h ILE 341 N 0.49 1.03 -0.26 2.04 2.04 -0.97 -1.07 117.51 120.81 1dof h ILE 341 Ca 0.03 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 1dof h ILE 341 Cb 1.02 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1dof h ILE 341 CO 0.09 0.13 -0.09 0.74 0.00 0.00 0.00 178.15 179.02 1dof h THR 342 N 0.69 1.29 -0.10 -0.27 2.02 -0.94 -2.09 112.91 113.51 1dof h THR 342 Ca 0.25 -1.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.24 1dof h THR 342 Cb 0.07 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1dof h THR 342 CO -0.13 0.36 -0.14 1.05 0.37 0.00 0.00 175.52 177.03 1dof h GLU 343 N 0.25 0.16 -0.09 6.66 4.11 -0.48 -0.03 114.58 125.17 1dof h GLU 343 Ca 0.06 -0.03 -0.18 0.00 0.07 0.00 0.00 59.36 59.28 1dof h GLU 343 Cb 0.58 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1dof h GLU 343 CO 0.03 0.30 -0.64 -0.91 0.07 0.00 0.00 179.01 177.86 1dof h ASN 344 N 0.15 0.71 0.02 3.06 2.35 -1.15 -2.62 115.58 118.09 1dof h ASN 344 Ca 0.03 -0.67 -0.00 0.00 -0.55 0.00 0.00 56.30 55.11 1dof h ASN 344 Cb 0.35 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1dof h ASN 344 CO 0.02 1.27 -0.01 0.25 -1.65 0.00 0.00 177.43 177.32 1dof h LEU 345 N 0.21 -0.02 -0.88 1.61 5.85 -1.10 -0.42 115.31 120.56 1dof h LEU 345 Ca -0.06 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.60 1dof h LEU 345 Cb 1.30 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.26 1dof h LEU 345 CO 0.13 0.13 0.53 1.56 -0.34 0.00 0.00 178.44 180.46 1dof h GLN 346 N -0.17 0.90 -0.46 1.25 1.08 -1.11 0.66 115.11 117.25 1dof h GLN 346 Ca -0.00 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 1dof h GLN 346 Cb 0.16 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1dof h GLN 346 CO 0.00 0.60 0.16 -0.22 -0.95 0.00 0.00 178.83 178.43 1dof h LYS 347 N 0.93 0.71 0.00 1.46 3.11 -1.29 -3.01 116.57 118.47 1dof h LYS 347 Ca 0.40 -0.14 -0.12 0.00 -2.81 0.00 0.00 60.65 57.98 1dof h LYS 347 Cb 0.28 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.38 1dof h LYS 347 CO -0.21 0.66 -0.58 0.00 -2.81 0.00 0.00 179.45 176.51 1dof h ALA 348 N 1.01 0.95 -0.80 5.00 0.00 0.21 -3.40 119.26 122.23 1dof h ALA 348 Ca 0.15 -0.52 0.15 0.00 0.00 0.00 0.00 54.91 54.69 1dof h ALA 348 Cb 0.23 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 17.78 1dof h ALA 348 CO -0.01 0.72 -0.26 -0.07 0.00 0.00 0.00 179.25 179.63 1dof h LEU 349 N 0.00 -0.95 -1.88 0.00 3.38 0.41 0.22 115.31 116.49 1dof h LEU 349 Ca -0.01 0.25 0.19 0.00 0.09 0.00 0.00 57.88 58.41 1dof h LEU 349 Cb 1.08 0.56 -0.04 0.00 0.09 0.00 0.00 40.66 42.36 1dof h LEU 349 CO 0.07 -0.28 0.51 -0.65 0.09 0.00 0.00 178.44 178.18 1dof h PRO 350 N -0.03 0.10 0.00 1.13 0.11 -1.77 -2.85 132.00 128.69 1dof h PRO 350 Ca 0.36 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.42 1dof h PRO 350 Cb 0.59 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 1dof h PRO 350 CO -0.84 0.07 -1.28 0.66 -0.21 0.00 0.00 178.00 176.41 1dof n TYR 351 N -4.37 0.80 -0.46 0.65 4.02 0.76 -4.06 117.16 114.50 1dof n TYR 351 Ca 0.14 0.24 0.10 0.00 -0.01 0.00 0.00 57.90 58.38 1dof n TYR 351 Cb 0.72 -0.92 0.32 0.00 -0.02 0.00 0.00 39.34 39.44 1dof n TYR 351 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 1dof n ILE 352 N -2.66 1.35 -0.62 -0.72 -5.35 -1.07 -4.47 119.36 105.81 1dof n ILE 352 Ca -0.03 -1.10 0.07 0.00 -0.27 0.00 0.00 62.75 61.42 1dof n ILE 352 Cb 0.63 0.34 0.23 0.00 -1.74 0.00 0.00 39.64 39.10 1dof n ILE 352 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1dof n LEU 353 N 1.27 3.60 -0.30 7.28 4.77 -1.25 -4.14 117.00 128.24 1dof n LEU 353 Ca 0.23 -2.55 0.13 0.00 -0.03 0.00 0.00 56.01 53.80 1dof n LEU 353 Cb 0.71 -0.42 0.29 0.00 -2.33 0.00 0.00 43.42 41.67 1dof n LEU 353 CO 0.18 0.71 0.97 0.74 -1.33 0.00 0.00 177.39 178.66 1dof h THR 354 N 2.13 0.37 -0.70 -5.08 2.02 -1.88 -1.33 112.91 108.44 1dof h THR 354 Ca 0.00 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.12 1dof h THR 354 Cb 1.16 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1dof h THR 354 CO 0.14 0.05 0.46 -0.08 0.37 0.00 0.00 175.52 176.46 1dof h GLU 355 N 0.26 0.84 -0.52 6.66 4.81 -1.93 0.16 114.58 124.86 1dof h GLU 355 Ca 0.55 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.63 1dof h GLU 355 Cb 1.08 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1dof h GLU 355 CO -0.61 0.56 -0.06 0.74 -0.73 0.00 0.00 179.01 178.91 1dof h PHE 356 N 0.87 1.07 -0.34 0.92 -1.00 -1.62 0.25 116.94 117.08 1dof h PHE 356 Ca 0.28 -0.21 -0.09 0.00 2.81 0.00 0.00 57.97 60.76 1dof h PHE 356 Cb 0.03 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.31 1dof h PHE 356 CO -0.00 0.99 -0.14 0.45 -1.61 0.00 0.00 178.31 178.00 1dof h HIS 357 N 0.83 0.80 -0.38 -0.55 3.86 -1.28 -0.73 115.15 117.70 1dof h HIS 357 Ca 0.14 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1dof h HIS 357 Cb 0.60 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1dof h HIS 357 CO 0.04 0.89 0.24 1.98 0.86 0.00 0.00 177.93 181.94 1dof h MET 358 N 0.48 0.51 -0.68 2.45 1.85 -0.83 -2.14 114.93 116.58 1dof h MET 358 Ca 0.08 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 59.08 1dof h MET 358 Cb 0.66 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.55 1dof h MET 358 CO 0.04 0.36 0.23 -0.91 -0.40 0.00 0.00 176.91 176.24 1dof h ASN 359 N 0.51 0.95 -0.70 1.39 -0.26 -0.17 -1.30 115.58 116.00 1dof h ASN 359 Ca 0.14 -0.16 -0.06 0.00 -0.56 0.00 0.00 56.30 55.67 1dof h ASN 359 Cb -0.03 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 36.96 1dof h ASN 359 CO -0.03 0.87 0.22 -0.09 -1.06 0.00 0.00 177.43 177.34 1dof h ARG 360 N 0.99 1.08 -0.00 0.81 2.43 -0.76 -1.55 114.38 117.38 1dof h ARG 360 Ca 0.22 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1dof h ARG 360 Cb 0.25 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1dof h ARG 360 CO -0.01 0.93 -0.21 0.52 -1.51 0.00 0.00 179.97 179.70 1dof h MET 361 N 1.02 0.00 -0.12 0.20 2.86 -0.93 -2.19 114.93 115.77 1dof h MET 361 Ca 0.23 -0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.64 1dof h MET 361 Cb 0.30 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.97 1dof h MET 361 CO -0.01 0.21 -0.80 0.82 1.06 0.00 0.00 176.91 178.19 1dof h ILE 362 N 0.00 1.29 -0.86 -1.22 2.04 -1.03 0.09 117.51 117.82 1dof h ILE 362 Ca -0.00 -2.01 0.01 0.00 1.00 0.00 0.00 64.86 63.86 1dof h ILE 362 Cb 0.37 2.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 1dof h ILE 362 CO 0.03 0.63 0.56 0.11 0.00 0.00 0.00 178.15 179.48 1dof h LYS 363 N 0.46 1.14 0.00 2.37 1.57 -0.89 -1.55 116.57 119.68 1dof h LYS 363 Ca -0.07 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1dof h LYS 363 Cb 1.43 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1dof h LYS 363 CO 0.16 0.76 0.00 0.39 -0.57 0.00 0.00 179.45 180.19 1dof n GLU 364 N -4.40 0.96 0.00 3.15 1.02 -0.86 -4.90 120.64 115.61 1dof n GLU 364 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1dof n GLU 364 Cb 0.03 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1dof n GLU 364 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dof n GLY 365 N 0.68 2.04 3.75 0.62 0.00 -0.58 -5.05 105.19 106.64 1dof n GLY 365 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1dof n GLY 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dof s ALA 366 N -2.19 2.54 0.67 4.61 0.00 0.01 -4.98 121.76 122.42 1dof s ALA 366 Ca 0.00 1.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.96 1dof s ALA 366 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1dof s ALA 366 CO 0.00 -1.31 1.06 -1.54 0.00 0.00 0.00 175.76 173.96 1dof s SER 367 N -1.43 5.54 0.13 0.00 1.04 -1.26 -4.26 113.70 113.45 1dof s SER 367 Ca 0.78 1.65 -0.19 0.00 0.48 0.00 0.00 55.95 58.66 1dof s SER 367 Cb -0.34 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.25 1dof s SER 367 CO 0.37 -1.33 1.73 -0.09 0.98 0.00 0.00 173.24 174.90 1dof h ARG 368 N -0.42 0.10 -0.53 4.02 2.43 -1.96 0.30 114.38 118.32 1dof h ARG 368 Ca -0.44 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 58.75 1dof h ARG 368 Cb 1.21 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 1dof h ARG 368 CO 0.57 0.06 0.35 0.00 -1.51 0.00 0.00 179.97 179.45 1dof h ALA 369 N 1.16 1.74 -0.07 2.80 0.00 -1.99 0.17 119.26 123.07 1dof h ALA 369 Ca 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1dof h ALA 369 Cb 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1dof h ALA 369 CO -0.14 0.20 -0.24 0.93 0.00 0.00 0.00 179.25 180.01 1dof h GLU 370 N 0.60 0.28 -0.29 0.00 5.08 -1.44 -3.03 114.58 115.78 1dof h GLU 370 Ca 0.21 -0.21 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1dof h GLU 370 Cb 0.10 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 1dof h GLU 370 CO -0.05 0.84 -0.18 0.00 -1.00 0.00 0.00 179.01 178.61 1dof h ALA 371 N 0.44 0.02 -0.03 3.43 0.00 -0.59 -2.32 119.26 120.20 1dof h ALA 371 Ca -0.01 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1dof h ALA 371 Cb 0.87 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1dof h ALA 371 CO 0.05 -0.58 -0.41 0.10 0.00 0.00 0.00 179.25 178.40 1dof h TYR 372 N -0.16 -1.22 -0.71 0.00 -0.00 -0.72 0.32 116.97 114.49 1dof h TYR 372 Ca 0.15 0.04 0.13 0.00 -0.00 0.00 0.00 58.73 59.06 1dof h TYR 372 Cb 0.39 0.54 -0.13 0.00 -0.00 0.00 0.00 36.73 37.52 1dof h TYR 372 CO -0.37 -0.43 -0.29 1.57 -0.00 0.00 0.00 178.16 178.64 1dof h LYS 373 N -0.50 -0.08 -0.00 0.10 5.09 -1.38 -1.74 116.57 118.07 1dof h LYS 373 Ca 0.01 0.01 -0.18 0.00 0.09 0.00 0.00 60.65 60.58 1dof h LYS 373 Cb 0.54 0.02 -0.02 0.00 0.10 0.00 0.00 32.23 32.87 1dof h LYS 373 CO -0.29 -0.05 -0.82 0.87 -2.09 0.00 0.00 179.45 177.06 1dof h LYS 374 N -0.08 0.10 -0.08 0.07 1.57 -0.92 -3.31 116.57 113.92 1dof h LYS 374 Ca 0.30 -0.10 -0.17 0.00 -1.87 0.00 0.00 60.65 58.81 1dof h LYS 374 Cb 0.56 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1dof h LYS 374 CO -0.76 0.86 -0.67 0.00 -0.57 0.00 0.00 179.45 178.31 1dof h ALA 375 N 1.10 0.70 -0.97 3.86 0.00 0.34 -3.31 119.26 120.98 1dof h ALA 375 Ca -0.02 -0.58 0.19 0.00 0.00 0.00 0.00 54.91 54.49 1dof h ALA 375 Cb 1.44 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 1dof h ALA 375 CO 0.12 0.75 0.56 1.57 0.00 0.00 0.00 179.25 182.25 1dof h LYS 376 N 0.24 0.67 -0.04 0.00 5.09 -1.43 -1.83 116.57 119.28 1dof h LYS 376 Ca -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.68 1dof h LYS 376 Cb 1.22 -0.15 0.00 0.00 0.10 0.00 0.00 32.23 33.40 1dof h LYS 376 CO 0.11 0.45 0.00 -0.85 -2.09 0.00 0.00 179.45 177.07 1dof n GLU 377 N -4.82 1.67 -2.94 0.07 -0.00 -1.25 -4.90 120.64 108.47 1dof n GLU 377 Ca 0.22 -0.97 -0.41 0.00 -0.00 0.00 0.00 57.16 56.00 1dof n GLU 377 Cb 0.57 -1.47 -0.04 0.00 -0.00 0.00 0.00 31.44 30.50 1dof n GLU 377 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1dof s VAL 378 N -1.97 4.92 -0.51 3.84 1.01 -0.69 -5.03 120.40 121.98 1dof s VAL 378 Ca 0.37 1.56 -0.08 0.00 0.00 0.00 0.00 61.98 63.84 1dof s VAL 378 Cb 0.20 -4.11 0.13 0.00 0.00 0.00 0.00 36.38 32.61 1dof s VAL 378 CO 0.32 0.08 0.37 -1.59 0.00 0.00 0.00 175.10 174.28 1dof s LYS 379 N 1.86 2.51 -0.24 2.72 -2.85 -1.26 -4.82 119.74 117.66 1dof s LYS 379 Ca 0.38 -1.93 -0.10 0.00 -1.00 0.00 0.00 55.97 53.32 1dof s LYS 379 Cb -0.17 -3.89 0.09 0.00 -2.06 0.00 0.00 37.83 31.80 1dof s LYS 379 CO 0.14 -1.18 0.54 0.00 0.10 0.00 0.00 175.35 174.94 1dof s ALA 380 N 1.05 -1.52 0.33 0.59 0.00 -1.26 -5.06 121.76 115.89 1dof s ALA 380 Ca 0.08 1.93 -0.29 0.00 0.00 0.00 0.00 51.96 53.69 1dof s ALA 380 Cb -0.24 -1.37 -0.10 0.00 0.00 0.00 0.00 23.12 21.41 1dof s ALA 380 CO -0.02 -0.60 1.32 -0.51 0.00 0.00 0.00 175.76 175.95 1dof s LEU 381 N 2.19 4.42 -0.11 0.00 1.02 -1.26 -4.89 118.68 120.05 1dof s LEU 381 Ca -0.06 2.71 -0.12 0.00 0.02 0.00 0.00 54.13 56.68 1dof s LEU 381 Cb -0.10 -3.65 0.03 0.00 0.02 0.00 0.00 46.19 42.50 1dof s LEU 381 CO -0.16 -0.56 0.33 0.28 0.02 0.00 0.00 176.35 176.25 1dof s THR 382 N -1.07 0.01 -0.22 5.49 -1.32 -1.26 -5.05 115.64 112.22 1dof s THR 382 Ca 0.50 -0.07 0.16 0.00 -1.21 0.00 0.00 61.69 61.07 1dof s THR 382 Cb -0.40 -0.49 0.62 0.00 -1.51 0.00 0.00 72.50 70.72 1dof s THR 382 CO 0.53 -0.04 1.52 0.49 -2.21 0.00 0.00 174.62 174.91 1dof n PHE 383 N 2.67 1.28 0.31 9.09 3.01 -1.26 -4.60 117.46 127.96 1dof n PHE 383 Ca -0.14 -0.83 0.19 0.00 1.01 0.00 0.00 57.45 57.68 1dof n PHE 383 Cb 0.57 -0.37 0.97 0.00 -0.01 0.00 0.00 39.48 40.64 1dof n PHE 383 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1dof h GLU 384 N 2.49 0.00 0.00 -1.08 4.11 -2.02 -1.73 114.58 116.35 1dof h GLU 384 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1dof h GLU 384 Cb 1.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.85 1dof h GLU 384 CO 0.30 0.02 -0.05 0.10 0.07 0.00 0.00 179.01 179.45 1dof h TYR 385 N 0.00 0.00 0.00 2.06 -0.00 -2.02 -1.78 116.97 115.23 1dof h TYR 385 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1dof h TYR 385 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.94 1dof h TYR 385 CO 0.00 0.05 0.00 1.04 -0.00 0.00 0.00 178.16 179.25 1dof n GLN 386 N -3.78 0.25 -0.01 0.10 6.02 -0.65 -0.90 117.38 118.42 1dof n GLN 386 Ca -0.03 0.09 0.13 0.00 -0.01 0.00 0.00 57.00 57.18 1dof n GLN 386 Cb 0.14 -1.50 0.73 0.00 1.02 0.00 0.00 30.24 30.63 1dof n GLN 386 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1dof n LYS 387 N -1.13 1.16 -1.29 -1.09 4.01 -0.67 -4.91 118.16 114.24 1dof n LYS 387 Ca 0.07 -0.24 -0.36 0.00 -0.51 0.00 0.00 58.31 57.27 1dof n LYS 387 Cb 0.06 -1.43 0.08 0.00 -0.51 0.00 0.00 35.03 33.23 1dof n LYS 387 CO 0.00 0.00 0.00 -2.67 -1.11 0.00 0.00 177.40 173.62 1dof n TRP 388 N -0.65 0.15 -0.90 2.13 2.14 -0.08 -4.91 117.44 115.31 1dof n TRP 388 Ca 0.20 0.38 -0.21 0.00 2.07 0.00 0.00 57.50 59.94 1dof n TRP 388 Cb 0.15 -2.02 0.06 0.00 -0.81 0.00 0.00 31.31 28.70 1dof n TRP 388 CO 0.00 0.00 0.00 -0.35 2.07 0.00 0.00 177.69 179.41 1dof n PRO 389 N -1.56 2.02 -0.07 -2.67 -0.04 -1.26 -4.61 135.00 126.80 1dof n PRO 389 Ca 0.12 -2.06 0.00 0.00 -0.04 0.00 0.00 63.50 61.52 1dof n PRO 389 Cb 0.50 -1.81 0.29 0.00 -0.04 0.00 0.00 33.50 32.44 1dof n PRO 389 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1dof h VAL 390 N 0.92 1.18 -0.53 0.52 -1.51 -1.96 -0.60 116.25 114.28 1dof h VAL 390 Ca 0.39 -0.58 -0.06 0.00 -1.23 0.00 0.00 66.70 65.22 1dof h VAL 390 Cb 1.16 0.62 -0.02 0.00 -2.13 0.00 0.00 31.29 30.91 1dof h VAL 390 CO 0.96 0.23 0.07 -0.33 -1.23 0.00 0.00 177.57 177.26 1dof h GLU 391 N 0.68 0.85 -0.17 5.19 5.08 -1.89 -0.96 114.58 123.36 1dof h GLU 391 Ca 0.16 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1dof h GLU 391 Cb 0.15 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1dof h GLU 391 CO -0.01 0.80 -0.33 -0.09 -1.00 0.00 0.00 179.01 178.38 1dof h ARG 392 N 0.80 0.52 -0.67 2.33 9.65 -1.82 -1.00 114.38 124.20 1dof h ARG 392 Ca 0.17 -0.34 0.12 0.00 -1.10 0.00 0.00 59.98 58.83 1dof h ARG 392 Cb 0.38 0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 28.91 1dof h ARG 392 CO 0.01 0.95 0.21 -0.07 2.80 0.00 0.00 179.97 183.86 1dof h LEU 393 N 0.17 0.13 -0.08 3.80 3.38 -0.99 -0.44 115.31 121.29 1dof h LEU 393 Ca 0.01 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1dof h LEU 393 Cb 0.93 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1dof h LEU 393 CO 0.07 0.06 0.05 0.40 0.09 0.00 0.00 178.44 179.11 1dof h ILE 394 N 0.35 1.04 -0.17 1.22 2.04 -1.07 -1.66 117.51 119.25 1dof h ILE 394 Ca 0.36 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 66.02 1dof h ILE 394 Cb 0.53 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1dof h ILE 394 CO -0.40 0.03 -0.36 -0.08 0.00 0.00 0.00 178.15 177.35 1dof h GLU 395 N 0.09 0.37 -0.46 2.37 4.57 -0.79 -1.58 114.58 119.14 1dof h GLU 395 Ca 0.03 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 1dof h GLU 395 Cb 0.01 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1dof h GLU 395 CO -0.01 0.68 0.11 -0.44 -1.18 0.00 0.00 179.01 178.18 1dof h ASP 396 N 0.31 0.70 -0.57 1.04 3.32 -0.92 -2.03 116.42 118.28 1dof h ASP 396 Ca 0.04 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1dof h ASP 396 Cb 0.78 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1dof h ASP 396 CO 0.06 0.75 0.26 0.00 -1.72 0.00 0.00 179.24 178.59 1dof h ALA 397 N 0.98 0.74 0.00 3.45 0.00 -1.05 -2.63 119.26 120.74 1dof h ALA 397 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1dof h ALA 397 Cb 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1dof h ALA 397 CO 0.00 0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.85 1dof n LEU 398 N -4.53 0.45 0.04 0.00 4.77 -0.62 -2.33 117.00 114.78 1dof n LEU 398 Ca 0.03 0.60 0.14 0.00 -0.03 0.00 0.00 56.01 56.75 1dof n LEU 398 Cb 0.13 -0.53 0.52 0.00 -2.33 0.00 0.00 43.42 41.22 1dof n LEU 398 CO 0.38 -0.41 0.90 -1.54 -1.33 0.00 0.00 177.39 175.39 1dof n SER 399 N -1.99 0.33 -4.76 -1.43 3.41 -0.78 -4.81 113.62 103.60 1dof n SER 399 Ca 0.03 0.49 -0.38 0.00 -0.26 0.00 0.00 58.87 58.76 1dof n SER 399 Cb 0.24 -0.57 0.02 0.00 -0.26 0.00 0.00 64.21 63.64 1dof n SER 399 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1dof s LEU 400 N -3.59 3.88 -0.03 1.04 1.43 -0.98 -5.01 118.68 115.41 1dof s LEU 400 Ca 0.12 2.56 -0.04 0.00 -1.03 0.00 0.00 54.13 55.74 1dof s LEU 400 Cb 0.16 -4.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.03 1dof s LEU 400 CO 0.56 -1.36 0.19 -1.59 0.23 0.00 0.00 176.35 174.38 1dof s LYS 401 N -2.90 3.47 0.10 1.70 0.00 -1.26 -5.09 119.74 115.77 1dof s LYS 401 Ca 0.70 -0.22 0.07 0.00 0.00 0.00 0.00 55.97 56.51 1dof s LYS 401 Cb -0.35 -3.11 -0.04 0.00 0.00 0.00 0.00 37.83 34.32 1dof s LYS 401 CO 0.41 0.69 -0.08 -0.51 0.00 0.00 0.00 175.35 175.86 1dof s LEU 402 N -1.70 3.12 0.00 2.77 1.43 -1.26 -5.00 118.68 118.04 1dof s LEU 402 Ca 0.25 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1dof s LEU 402 Cb -0.13 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1dof s LEU 402 CO 0.15 0.18 0.00 0.00 0.23 0.00 0.00 176.35 176.91