#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxx n SER 10 N 0.00 1.76 -3.12 1.67 7.64 -1.26 -5.00 113.62 115.31 1dxx n SER 10 Ca 0.00 0.36 -0.14 0.00 1.01 0.00 0.00 58.87 60.10 1dxx n SER 10 Cb 0.00 -0.74 0.07 0.00 -1.01 0.00 0.00 64.21 62.52 1dxx n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dxx n TYR 11 N -4.33 -2.26 -3.44 1.43 0.18 -1.26 -4.98 117.16 102.51 1dxx n TYR 11 Ca -0.12 0.80 -0.43 0.00 1.88 0.00 0.00 57.90 60.02 1dxx n TYR 11 Cb 0.43 -4.05 -0.07 0.00 -0.38 0.00 0.00 39.34 35.27 1dxx n TYR 11 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1dxx s GLU 12 N -4.33 2.80 -0.74 -3.48 0.41 -1.26 -5.04 118.70 107.05 1dxx s GLU 12 Ca 0.40 -1.59 -0.17 0.00 -0.41 0.00 0.00 54.97 53.20 1dxx s GLU 12 Cb -0.05 -4.08 0.15 0.00 -1.78 0.00 0.00 34.13 28.38 1dxx s GLU 12 CO 0.68 -1.15 0.80 1.03 -0.49 0.00 0.00 175.26 176.12 1dxx s ARG 13 N 1.52 3.36 0.51 1.61 1.81 -1.26 -4.93 118.95 121.57 1dxx s ARG 13 Ca 0.04 -1.86 0.18 0.00 -1.72 0.00 0.00 55.73 52.37 1dxx s ARG 13 Cb -0.26 -4.47 1.27 0.00 -0.45 0.00 0.00 34.95 31.04 1dxx s ARG 13 CO 0.03 -1.48 2.11 0.93 -0.68 0.00 0.00 175.30 176.20 1dxx h GLU 14 N 8.58 0.00 -0.22 3.54 5.08 -1.99 0.80 114.58 130.37 1dxx h GLU 14 Ca -0.05 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 1dxx h GLU 14 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1dxx h GLU 14 CO 0.97 0.07 -0.41 0.38 -1.00 0.00 0.00 179.01 179.03 1dxx h ASP 15 N 0.00 0.75 -0.21 1.42 2.03 -2.00 -1.39 116.42 117.02 1dxx h ASP 15 Ca -0.00 -0.54 -0.10 0.00 -0.73 0.00 0.00 57.03 55.66 1dxx h ASP 15 Cb 0.14 -0.21 -0.00 0.00 -0.83 0.00 0.00 39.33 38.42 1dxx h ASP 15 CO 0.01 1.14 -0.25 0.58 -1.03 0.00 0.00 179.24 179.69 1dxx h VAL 16 N 0.38 1.33 -0.64 4.15 2.07 -1.69 -3.13 116.25 118.72 1dxx h VAL 16 Ca 0.01 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.11 1dxx h VAL 16 Cb 1.01 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 1dxx h VAL 16 CO 0.09 0.44 0.42 1.56 0.02 0.00 0.00 177.57 180.11 1dxx h GLN 17 N 0.23 0.79 -0.51 1.57 4.20 -0.80 -0.88 115.11 119.71 1dxx h GLN 17 Ca 0.03 -0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.78 1dxx h GLN 17 Cb 0.82 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.35 1dxx h GLN 17 CO 0.06 0.52 0.10 -0.22 -0.67 0.00 0.00 178.83 178.63 1dxx h LYS 18 N 0.82 0.23 0.23 1.46 3.64 -1.22 0.30 116.57 122.04 1dxx h LYS 18 Ca 0.24 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1dxx h LYS 18 Cb -0.02 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1dxx h LYS 18 CO -0.06 0.15 -0.11 0.87 -2.27 0.00 0.00 179.45 178.03 1dxx h LYS 19 N 0.24 -0.30 -0.43 1.90 1.57 -1.27 -2.71 116.57 115.58 1dxx h LYS 19 Ca 0.26 0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.95 1dxx h LYS 19 Cb 0.34 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1dxx h LYS 19 CO -0.33 0.08 -0.16 1.79 -0.57 0.00 0.00 179.45 180.26 1dxx h THR 20 N -0.83 1.28 -0.56 -0.16 1.35 -0.98 -0.07 112.91 112.94 1dxx h THR 20 Ca -0.03 -1.29 -0.02 0.00 -0.55 0.00 0.00 66.41 64.52 1dxx h THR 20 Cb 0.51 1.21 -0.03 0.00 -1.73 0.00 0.00 68.15 68.12 1dxx h THR 20 CO 0.05 0.44 0.27 -0.26 -0.25 0.00 0.00 175.52 175.76 1dxx h PHE 21 N 0.68 0.77 -0.42 4.73 -1.00 -1.09 0.23 116.94 120.84 1dxx h PHE 21 Ca 0.10 -0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.79 1dxx h PHE 21 Cb 0.71 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 1dxx h PHE 21 CO 0.05 0.57 0.01 1.15 -1.61 0.00 0.00 178.31 178.49 1dxx h THR 22 N 0.78 1.26 -0.72 -1.55 2.02 -1.12 -0.27 112.91 113.31 1dxx h THR 22 Ca 0.19 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.41 1dxx h THR 22 Cb 0.09 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 1dxx h THR 22 CO -0.03 0.34 0.45 0.11 0.37 0.00 0.00 175.52 176.77 1dxx h LYS 23 N 0.58 0.85 0.52 6.66 1.57 -0.04 0.19 116.57 126.89 1dxx h LYS 23 Ca 0.12 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1dxx h LYS 23 Cb 0.46 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.59 1dxx h LYS 23 CO 0.02 0.56 -0.25 2.35 -0.57 0.00 0.00 179.45 181.56 1dxx h TRP 24 N 0.87 -0.64 -0.51 -1.35 7.01 -0.36 0.41 115.95 121.38 1dxx h TRP 24 Ca 0.30 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.35 1dxx h TRP 24 Cb 0.04 0.21 -0.06 0.00 -2.10 0.00 0.00 29.16 27.26 1dxx h TRP 24 CO -0.04 -0.39 0.19 0.28 -2.79 0.00 0.00 178.44 175.69 1dxx h VAL 25 N -0.72 0.83 -0.64 2.65 2.07 -0.72 -2.25 116.25 117.48 1dxx h VAL 25 Ca -0.07 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1dxx h VAL 25 Cb 0.54 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1dxx h VAL 25 CO 0.12 0.07 0.27 0.78 0.02 0.00 0.00 177.57 178.82 1dxx h ASN 26 N 0.37 0.84 -0.52 0.57 2.35 -0.37 -1.28 115.58 117.54 1dxx h ASN 26 Ca 0.24 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1dxx h ASN 26 Cb 0.26 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1dxx h ASN 26 CO -0.24 0.74 0.31 0.00 -1.65 0.00 0.00 177.43 176.59 1dxx h ALA 27 N 1.38 1.54 -0.08 -0.83 0.00 -0.37 0.32 119.26 121.23 1dxx h ALA 27 Ca 0.22 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.82 1dxx h ALA 27 Cb 0.16 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1dxx h ALA 27 CO -0.02 0.40 -0.90 1.96 0.00 0.00 0.00 179.25 180.68 1dxx h GLN 28 N 0.74 0.72 -0.90 0.00 1.08 -0.81 -1.75 115.11 114.19 1dxx h GLN 28 Ca 0.19 -0.67 0.01 0.00 -1.45 0.00 0.00 58.65 56.74 1dxx h GLN 28 Cb -0.01 0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.54 1dxx h GLN 28 CO -0.04 1.27 0.60 0.74 -0.95 0.00 0.00 178.83 180.45 1dxx h PHE 29 N 0.45 1.13 0.02 2.96 0.04 -0.60 -1.34 116.94 119.60 1dxx h PHE 29 Ca -0.09 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.74 1dxx h PHE 29 Cb 1.54 -0.38 -0.04 0.00 2.20 0.00 0.00 35.95 39.27 1dxx h PHE 29 CO 0.09 0.70 -0.21 0.77 -0.60 0.00 0.00 178.31 179.06 1dxx h SER 30 N 1.21 -0.62 -0.39 2.17 0.02 -0.22 0.40 113.55 116.12 1dxx h SER 30 Ca 0.34 0.08 0.11 0.00 -0.84 0.00 0.00 61.79 61.48 1dxx h SER 30 Cb -0.12 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1dxx h SER 30 CO -0.08 -0.28 0.33 0.11 -1.14 0.00 0.00 176.83 175.77 1dxx h LYS 31 N -0.35 0.00 -0.46 3.45 1.57 -0.36 0.22 116.57 120.64 1dxx h LYS 31 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1dxx h LYS 31 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1dxx h LYS 31 CO -0.18 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 179.89 1dxx n PHE 32 N -4.06 0.90 -3.42 -1.35 3.72 -0.54 -4.98 117.46 107.72 1dxx n PHE 32 Ca 0.06 -0.61 -0.13 0.00 -0.05 0.00 0.00 57.45 56.73 1dxx n PHE 32 Cb 0.51 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 1dxx n PHE 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dxx n GLY 33 N 0.61 -1.23 3.19 1.37 0.00 0.19 -5.00 105.19 104.32 1dxx n GLY 33 Ca 0.19 0.58 -0.13 0.00 0.00 0.00 0.00 46.02 46.67 1dxx n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dxx s LYS 34 N -3.91 0.90 0.64 1.61 1.02 0.12 -4.99 119.74 115.13 1dxx s LYS 34 Ca 0.02 -1.31 -0.18 0.00 0.02 0.00 0.00 55.97 54.52 1dxx s LYS 34 Cb -0.00 -0.42 -0.02 0.00 -0.52 0.00 0.00 37.83 36.86 1dxx s LYS 34 CO 0.83 0.04 1.13 0.94 -0.92 0.00 0.00 175.35 177.37 1dxx n GLN 35 N 0.11 0.97 -2.25 1.68 7.27 -1.26 -4.31 117.38 119.59 1dxx n GLN 35 Ca -0.13 0.38 -0.29 0.00 0.07 0.00 0.00 57.00 57.04 1dxx n GLN 35 Cb 0.60 -2.36 0.02 0.00 2.41 0.00 0.00 30.24 30.91 1dxx n GLN 35 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 1dxx s HIS 36 N -1.47 3.47 0.28 3.69 3.76 -1.26 -4.88 115.29 118.89 1dxx s HIS 36 Ca 0.80 0.94 0.07 0.00 -0.15 0.00 0.00 55.06 56.72 1dxx s HIS 36 Cb -0.39 -2.65 -0.03 0.00 1.11 0.00 0.00 32.58 30.62 1dxx s HIS 36 CO 0.43 -0.67 0.22 0.96 -0.85 0.00 0.00 174.74 174.84 1dxx s ILE 37 N -3.02 4.11 -0.06 0.60 -4.36 -1.26 -5.06 121.20 112.15 1dxx s ILE 37 Ca 0.53 -1.41 -0.01 0.00 -0.26 0.00 0.00 60.65 59.51 1dxx s ILE 37 Cb -0.11 -3.31 -0.04 0.00 1.25 0.00 0.00 42.46 40.25 1dxx s ILE 37 CO 0.49 -0.29 -0.06 -0.62 0.24 0.00 0.00 174.94 174.69 1dxx n GLU 38 N -1.24 0.15 -3.92 0.37 -0.58 -1.26 -4.97 120.64 109.19 1dxx n GLU 38 Ca -0.06 0.04 -0.35 0.00 -0.42 0.00 0.00 57.16 56.38 1dxx n GLU 38 Cb 0.59 -1.01 -0.14 0.00 -0.57 0.00 0.00 31.44 30.31 1dxx n GLU 38 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1dxx s ASN 39 N -4.91 4.46 0.54 1.62 2.47 -1.26 -4.97 114.94 112.90 1dxx s ASN 39 Ca -0.09 -0.82 0.30 0.00 0.42 0.00 0.00 52.86 52.67 1dxx s ASN 39 Cb 0.03 -1.71 1.51 0.00 -1.45 0.00 0.00 41.25 39.63 1dxx s ASN 39 CO 0.14 -0.13 2.07 0.25 -3.72 0.00 0.00 177.10 175.71 1dxx h LEU 40 N 8.06 0.00 -0.28 3.21 5.85 -1.93 0.82 115.31 131.04 1dxx h LEU 40 Ca -0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1dxx h LEU 40 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1dxx h LEU 40 CO 0.58 0.10 -0.21 0.49 -0.34 0.00 0.00 178.44 179.06 1dxx n PHE 41 N -3.48 0.00 0.00 1.25 3.72 -1.26 -4.31 117.46 113.39 1dxx n PHE 41 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1dxx n PHE 41 Cb 0.24 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 1dxx n PHE 41 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1dxx n SER 42 N -0.96 1.61 0.00 4.37 3.41 -1.04 -4.75 113.62 116.26 1dxx n SER 42 Ca 0.12 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.79 1dxx n SER 42 Cb 0.31 0.25 0.29 0.00 -0.26 0.00 0.00 64.21 64.80 1dxx n SER 42 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1dxx n ASP 43 N -0.71 0.00 -0.34 4.04 8.00 0.25 -1.90 116.55 125.89 1dxx n ASP 43 Ca 0.00 0.33 0.08 0.00 0.71 0.00 0.00 54.79 55.91 1dxx n ASP 43 Cb 0.07 -0.41 -0.01 0.00 -0.02 0.00 0.00 41.12 40.76 1dxx n ASP 43 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1dxx n LEU 44 N -1.41 1.59 -0.03 0.64 4.77 -1.26 -4.69 117.00 116.61 1dxx n LEU 44 Ca 0.04 -0.73 0.03 0.00 -0.03 0.00 0.00 56.01 55.32 1dxx n LEU 44 Cb 0.13 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.61 1dxx n LEU 44 CO 0.11 0.31 1.17 1.56 -1.33 0.00 0.00 177.39 179.21 1dxx h GLN 45 N 1.68 0.61 -0.00 3.23 4.20 -1.59 -2.90 115.11 120.32 1dxx h GLN 45 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1dxx h GLN 45 Cb 0.56 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1dxx h GLN 45 CO 0.00 0.40 -0.37 -0.40 -0.67 0.00 0.00 178.83 177.80 1dxx n ASP 46 N -4.46 0.69 0.00 1.46 5.68 -1.26 -4.30 116.55 114.35 1dxx n ASP 46 Ca 0.04 -0.50 0.00 0.00 -0.50 0.00 0.00 54.79 53.83 1dxx n ASP 46 Cb 0.06 0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 1dxx n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dxx n GLY 47 N 1.42 1.71 0.07 6.12 0.00 -1.10 -4.08 105.19 109.34 1dxx n GLY 47 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 1dxx n GLY 47 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1dxx h ARG 48 N 2.95 0.10 -0.62 1.61 3.08 -1.91 -2.69 114.38 116.91 1dxx h ARG 48 Ca 0.00 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1dxx h ARG 48 Cb 0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1dxx h ARG 48 CO 0.00 0.30 0.09 0.00 -1.07 0.00 0.00 179.97 179.29 1dxx h ARG 49 N -0.12 1.01 -0.21 0.04 2.47 -1.91 -1.45 114.38 114.21 1dxx h ARG 49 Ca 0.02 -0.26 0.01 0.00 -1.26 0.00 0.00 59.98 58.49 1dxx h ARG 49 Cb 0.24 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 1dxx h ARG 49 CO 0.00 0.93 0.10 -0.07 0.56 0.00 0.00 179.97 181.49 1dxx h LEU 50 N 0.95 0.14 -0.33 3.04 3.38 -1.86 0.27 115.31 120.90 1dxx h LEU 50 Ca 0.19 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.24 1dxx h LEU 50 Cb 0.42 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1dxx h LEU 50 CO 0.01 0.11 -0.06 -0.07 0.09 0.00 0.00 178.44 178.52 1dxx h LEU 51 N 0.21 -0.26 -1.11 1.67 3.38 -1.09 -0.75 115.31 117.36 1dxx h LEU 51 Ca 0.09 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1dxx h LEU 51 Cb 0.03 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1dxx h LEU 51 CO -0.07 -0.09 0.60 0.44 0.09 0.00 0.00 178.44 179.42 1dxx h ASP 52 N 0.02 0.93 -0.37 -0.43 3.32 -0.61 0.50 116.42 119.79 1dxx h ASP 52 Ca 0.16 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 1dxx h ASP 52 Cb 0.24 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1dxx h ASP 52 CO -0.32 0.59 -0.09 0.25 -1.72 0.00 0.00 179.24 177.95 1dxx h LEU 53 N 1.05 0.78 -1.19 1.55 5.85 0.79 -2.85 115.31 121.30 1dxx h LEU 53 Ca 0.41 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1dxx h LEU 53 Cb 0.22 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1dxx h LEU 53 CO -0.16 0.90 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.59 1dxx h LEU 54 N 0.73 0.32 0.74 2.25 3.38 0.06 -1.70 115.31 121.08 1dxx h LEU 54 Ca 0.13 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1dxx h LEU 54 Cb 0.57 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1dxx h LEU 54 CO 0.03 0.53 -0.48 -0.33 0.09 0.00 0.00 178.44 178.29 1dxx h GLU 55 N 0.31 -1.11 -0.58 1.13 5.08 -0.72 0.48 114.58 119.17 1dxx h GLU 55 Ca 0.05 0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1dxx h GLU 55 Cb 0.51 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1dxx h GLU 55 CO 0.03 -0.74 0.38 0.78 -1.00 0.00 0.00 179.01 178.47 1dxx h GLY 56 N -1.15 0.73 0.52 -3.84 0.00 -1.41 0.12 103.07 98.04 1dxx h GLY 56 Ca -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1dxx h GLY 56 CO 0.08 0.20 -0.12 1.41 0.00 0.00 0.00 176.54 178.11 1dxx h LEU 57 N 0.61 -0.29 0.15 3.11 3.38 -0.82 -3.39 115.31 118.05 1dxx h LEU 57 Ca 0.24 -0.24 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 1dxx h LEU 57 Cb 0.19 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1dxx h LEU 57 CO -0.07 0.15 -1.43 0.71 0.09 0.00 0.00 178.44 177.90 1dxx h THR 58 N -0.83 1.29 0.00 0.22 1.35 0.28 -3.49 112.91 111.73 1dxx h THR 58 Ca -0.04 -2.87 0.00 0.00 -0.55 0.00 0.00 66.41 62.95 1dxx h THR 58 Cb 0.51 2.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1dxx h THR 58 CO 0.06 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 1dxx n GLY 59 N 1.63 3.40 3.71 5.82 0.00 0.00 -5.06 105.19 114.69 1dxx n GLY 59 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1dxx n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dxx s GLN 60 N -0.81 0.92 -0.19 1.61 -0.21 -1.26 -5.01 119.66 114.71 1dxx s GLN 60 Ca 0.00 0.65 -0.04 0.00 0.02 0.00 0.00 55.36 55.99 1dxx s GLN 60 Cb 0.00 -1.78 -0.02 0.00 1.00 0.00 0.00 33.01 32.20 1dxx s GLN 60 CO 0.00 -2.43 -0.02 -1.59 -2.12 0.00 0.00 175.29 169.13 1dxx s LYS 61 N -4.98 3.58 -0.49 2.91 0.00 -1.26 -4.59 119.74 114.91 1dxx s LYS 61 Ca 0.64 -0.54 0.01 0.00 0.00 0.00 0.00 55.97 56.08 1dxx s LYS 61 Cb -0.18 -3.02 0.13 0.00 0.00 0.00 0.00 37.83 34.76 1dxx s LYS 61 CO 0.57 0.03 0.26 -0.51 0.00 0.00 0.00 175.35 175.69 1dxx s LEU 62 N 0.93 4.82 0.27 2.77 1.43 -1.26 -5.07 118.68 122.57 1dxx s LEU 62 Ca 0.01 -2.63 -0.30 0.00 -1.03 0.00 0.00 54.13 50.18 1dxx s LEU 62 Cb -0.14 -1.73 -0.14 0.00 0.03 0.00 0.00 46.19 44.21 1dxx s LEU 62 CO 0.01 -0.35 1.27 -2.65 0.23 0.00 0.00 176.35 174.86 1dxx n PRO 63 N 3.69 1.81 -4.74 1.29 -0.02 -1.26 -4.92 135.00 130.85 1dxx n PRO 63 Ca 0.04 0.64 -0.33 0.00 -2.02 0.00 0.00 63.50 61.84 1dxx n PRO 63 Cb 0.37 -2.20 -0.12 0.00 -0.02 0.00 0.00 33.50 31.53 1dxx n PRO 63 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1dxx s LYS 64 N -1.01 2.51 0.51 -0.52 -2.85 -1.26 -5.04 119.74 112.07 1dxx s LYS 64 Ca 0.64 -0.71 -0.19 0.00 -1.00 0.00 0.00 55.97 54.71 1dxx s LYS 64 Cb -0.67 -2.42 -0.08 0.00 -2.06 0.00 0.00 37.83 32.61 1dxx s LYS 64 CO 0.55 0.62 1.03 -1.21 0.10 0.00 0.00 175.35 176.44 1dxx s GLU 65 N -0.95 3.75 0.00 1.78 2.02 -1.26 -5.03 118.70 119.01 1dxx s GLU 65 Ca 0.13 1.25 0.00 0.00 0.02 0.00 0.00 54.97 56.37 1dxx s GLU 65 Cb -0.11 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.03 1dxx s GLU 65 CO 0.02 -0.46 0.00 1.63 0.02 0.00 0.00 175.26 176.47 1dxx n LYS 66 N -1.25 0.00 -0.90 1.61 4.76 -1.26 -4.96 118.16 116.16 1dxx n LYS 66 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1dxx n LYS 66 Cb 0.53 -0.41 0.00 0.00 -1.84 0.00 0.00 35.03 33.31 1dxx n LYS 66 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dxx n GLY 67 N 0.00 0.00 0.00 0.72 0.00 -1.26 -4.88 105.19 99.77 1dxx n GLY 67 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1dxx n GLY 67 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dxx n SER 68 N -0.42 1.04 -4.85 1.61 3.41 -1.26 -4.90 113.62 108.26 1dxx n SER 68 Ca 0.00 -0.43 -0.35 0.00 -0.26 0.00 0.00 58.87 57.82 1dxx n SER 68 Cb 0.00 1.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.91 1dxx n SER 68 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1dxx s THR 69 N -1.40 4.91 0.18 6.66 2.01 -1.26 -4.98 115.64 121.77 1dxx s THR 69 Ca 0.00 0.76 -0.17 0.00 0.31 0.00 0.00 61.69 62.60 1dxx s THR 69 Cb 0.02 -3.72 0.15 0.00 0.01 0.00 0.00 72.50 68.95 1dxx s THR 69 CO 0.09 0.29 1.63 -0.09 -0.69 0.00 0.00 174.62 175.85 1dxx h ARG 70 N 3.70 -0.06 -0.66 4.92 2.43 -1.99 -1.48 114.38 121.24 1dxx h ARG 70 Ca -0.49 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 58.78 1dxx h ARG 70 Cb 1.20 0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 30.64 1dxx h ARG 70 CO 0.66 -0.04 -0.44 0.28 -1.51 0.00 0.00 179.97 178.92 1dxx h VAL 71 N -0.06 0.07 -0.83 0.20 2.07 -1.99 0.32 116.25 116.02 1dxx h VAL 71 Ca 0.24 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.77 1dxx h VAL 71 Cb 0.42 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1dxx h VAL 71 CO -0.54 0.00 0.55 0.45 0.02 0.00 0.00 177.57 178.05 1dxx h HIS 72 N -0.18 1.03 0.02 1.57 3.86 -1.77 -1.48 115.15 118.20 1dxx h HIS 72 Ca 0.20 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.46 1dxx h HIS 72 Cb 0.55 -0.35 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 1dxx h HIS 72 CO -0.75 0.64 -0.22 0.00 0.86 0.00 0.00 177.93 178.46 1dxx h ALA 73 N 1.49 -0.29 -0.24 2.45 0.00 0.52 -0.59 119.26 122.60 1dxx h ALA 73 Ca 0.31 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1dxx h ALA 73 Cb -0.09 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1dxx h ALA 73 CO -0.07 -0.72 0.00 -0.07 0.00 0.00 0.00 179.25 178.39 1dxx h LEU 74 N -0.35 0.32 -0.05 0.00 3.38 -0.67 -0.13 115.31 117.80 1dxx h LEU 74 Ca 0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1dxx h LEU 74 Cb 0.42 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1dxx h LEU 74 CO -0.19 0.38 -0.02 0.78 0.09 0.00 0.00 178.44 179.49 1dxx h ASN 75 N 0.35 0.10 -1.00 -0.43 2.35 -0.47 0.16 115.58 116.63 1dxx h ASN 75 Ca 0.08 -0.40 0.22 0.00 -0.55 0.00 0.00 56.30 55.65 1dxx h ASN 75 Cb 0.23 -0.03 -0.12 0.00 0.05 0.00 0.00 38.32 38.46 1dxx h ASN 75 CO 0.01 0.47 0.60 0.78 -1.65 0.00 0.00 177.43 177.64 1dxx h ASN 76 N -0.27 0.73 0.52 5.81 2.35 -0.85 -0.29 115.58 123.59 1dxx h ASN 76 Ca 0.01 0.12 -0.29 0.00 -0.55 0.00 0.00 56.30 55.59 1dxx h ASN 76 Cb 0.43 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1dxx h ASN 76 CO 0.01 0.19 -1.41 0.58 -1.65 0.00 0.00 177.43 175.15 1dxx h VAL 77 N 0.67 1.30 -0.71 2.81 2.07 -0.76 -2.88 116.25 118.76 1dxx h VAL 77 Ca 0.61 -2.91 0.01 0.00 0.82 0.00 0.00 66.70 65.24 1dxx h VAL 77 Cb 1.07 2.85 -0.04 0.00 -1.52 0.00 0.00 31.29 33.65 1dxx h VAL 77 CO -0.43 0.85 0.47 0.78 0.02 0.00 0.00 177.57 179.26 1dxx h ASN 78 N 0.07 0.79 -0.24 0.57 2.35 -0.03 0.43 115.58 119.52 1dxx h ASN 78 Ca -0.20 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.39 1dxx h ASN 78 Cb 2.00 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 40.17 1dxx h ASN 78 CO 0.18 0.56 -0.38 0.50 -1.65 0.00 0.00 177.43 176.65 1dxx h LYS 79 N 0.93 0.78 -0.10 0.81 1.63 -1.10 0.78 116.57 120.29 1dxx h LYS 79 Ca 0.27 -0.40 -0.14 0.00 -0.85 0.00 0.00 60.65 59.52 1dxx h LYS 79 Cb -0.06 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 1dxx h LYS 79 CO -0.06 1.03 -0.57 0.00 -3.45 0.00 0.00 179.45 176.40 1dxx h ALA 80 N 0.93 0.84 -0.37 5.00 0.00 -1.08 -0.51 119.26 124.06 1dxx h ALA 80 Ca 0.06 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1dxx h ALA 80 Cb 0.93 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1dxx h ALA 80 CO 0.09 0.70 -0.26 -0.07 0.00 0.00 0.00 179.25 179.71 1dxx h LEU 81 N 0.25 0.77 -0.49 0.00 3.38 0.31 0.31 115.31 119.83 1dxx h LEU 81 Ca 0.00 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1dxx h LEU 81 Cb 1.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1dxx h LEU 81 CO 0.09 0.99 0.13 0.03 0.09 0.00 0.00 178.44 179.77 1dxx h ARG 82 N 0.65 0.78 -0.41 1.13 3.08 -0.45 0.45 114.38 119.61 1dxx h ARG 82 Ca 0.08 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 59.97 1dxx h ARG 82 Cb 0.77 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1dxx h ARG 82 CO 0.06 0.75 0.23 0.28 -1.07 0.00 0.00 179.97 180.22 1dxx h VAL 83 N 0.67 1.02 -0.23 2.04 2.07 -0.82 0.18 116.25 121.18 1dxx h VAL 83 Ca 0.16 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1dxx h VAL 83 Cb 0.31 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1dxx h VAL 83 CO -0.00 0.08 0.11 -0.07 0.02 0.00 0.00 177.57 177.72 1dxx h LEU 84 N 0.46 0.30 -1.16 2.57 3.38 0.20 -1.74 115.31 119.32 1dxx h LEU 84 Ca 0.17 -0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.16 1dxx h LEU 84 Cb 0.03 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 1dxx h LEU 84 CO -0.09 0.34 0.60 -0.61 0.09 0.00 0.00 178.44 178.77 1dxx h GLN 85 N 0.25 0.78 0.00 1.13 4.15 0.62 0.48 115.11 122.52 1dxx h GLN 85 Ca 0.08 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 1dxx h GLN 85 Cb 0.11 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1dxx h GLN 85 CO -0.01 0.52 -0.31 -0.91 -1.93 0.00 0.00 178.83 176.19 1dxx h ASN 86 N 0.80 0.00 -0.18 -0.69 2.35 0.13 -1.22 115.58 116.77 1dxx h ASN 86 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 1dxx h ASN 86 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1dxx h ASN 86 CO -0.25 0.31 0.00 0.59 -1.65 0.00 0.00 177.43 176.43 1dxx n ASN 87 N -3.77 1.64 -0.96 5.81 3.02 0.08 -4.92 115.26 116.16 1dxx n ASN 87 Ca -0.01 -1.74 -0.09 0.00 -0.03 0.00 0.00 54.58 52.71 1dxx n ASN 87 Cb 0.40 -0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.45 1dxx n ASN 87 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1dxx n ASN 88 N 0.31 -3.18 -4.75 6.41 3.02 -0.46 -5.00 115.26 111.62 1dxx n ASN 88 Ca 0.15 0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.32 1dxx n ASN 88 Cb 0.32 -2.35 -0.05 0.00 -0.61 0.00 0.00 39.78 37.09 1dxx n ASN 88 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dxx s VAL 89 N -2.42 4.47 0.13 2.41 1.01 -0.91 -4.98 120.40 120.11 1dxx s VAL 89 Ca 0.00 1.87 -0.33 0.00 0.00 0.00 0.00 61.98 63.53 1dxx s VAL 89 Cb 0.00 -4.23 -0.12 0.00 0.00 0.00 0.00 36.38 32.03 1dxx s VAL 89 CO 0.00 0.40 1.73 -0.67 0.00 0.00 0.00 175.10 176.56 1dxx n ASP 90 N 2.36 3.68 -0.05 3.32 2.03 -1.26 -4.68 116.55 121.94 1dxx n ASP 90 Ca -0.01 1.03 0.01 0.00 0.52 0.00 0.00 54.79 56.34 1dxx n ASP 90 Cb 0.49 -1.50 0.01 0.00 -0.72 0.00 0.00 41.12 39.40 1dxx n ASP 90 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1dxx n LEU 91 N 4.63 0.91 -4.68 -2.67 4.77 -1.26 -4.86 117.00 113.84 1dxx n LEU 91 Ca 0.18 -1.04 -0.45 0.00 -0.03 0.00 0.00 56.01 54.67 1dxx n LEU 91 Cb 0.33 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1dxx n LEU 91 CO 0.65 0.26 1.08 0.52 -1.33 0.00 0.00 177.39 178.57 1dxx n VAL 92 N -0.28 0.74 -1.25 4.08 0.31 -1.26 -0.54 118.33 120.13 1dxx n VAL 92 Ca 0.01 -0.18 -0.08 0.00 -0.01 0.00 0.00 64.34 64.07 1dxx n VAL 92 Cb 0.43 -1.55 -0.04 0.00 -0.91 0.00 0.00 33.84 31.78 1dxx n VAL 92 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1dxx n ASN 93 N 2.45 -4.85 -4.20 4.52 3.02 -1.26 -5.00 115.26 109.95 1dxx n ASN 93 Ca 0.12 0.21 -0.38 0.00 -0.03 0.00 0.00 54.58 54.50 1dxx n ASN 93 Cb 0.31 -3.09 -0.11 0.00 -0.61 0.00 0.00 39.78 36.28 1dxx n ASN 93 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1dxx s ILE 94 N -2.04 3.73 0.47 2.41 1.01 0.30 -5.05 121.20 122.03 1dxx s ILE 94 Ca 0.00 -1.61 0.08 0.00 0.00 0.00 0.00 60.65 59.12 1dxx s ILE 94 Cb 0.00 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 39.15 1dxx s ILE 94 CO 0.00 -0.51 0.55 -0.83 0.00 0.00 0.00 174.94 174.16 1dxx s GLY 95 N 1.90 1.99 0.41 6.18 0.00 -1.26 -5.00 107.32 111.54 1dxx s GLY 95 Ca 0.03 -1.81 0.18 0.00 0.00 0.00 0.00 44.72 43.13 1dxx s GLY 95 CO -0.01 -1.64 1.87 1.48 0.00 0.00 0.00 173.10 174.80 1dxx h SER 96 N 0.65 0.00 -0.58 1.64 4.64 -1.94 -2.88 113.55 115.07 1dxx h SER 96 Ca -0.38 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.90 1dxx h SER 96 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 1dxx h SER 96 CO 0.49 0.30 0.18 0.71 -0.87 0.00 0.00 176.83 177.64 1dxx h THR 97 N 0.00 1.24 -0.90 2.95 1.35 -1.96 0.36 112.91 115.95 1dxx h THR 97 Ca -0.00 -0.82 0.08 0.00 -0.55 0.00 0.00 66.41 65.12 1dxx h THR 97 Cb 0.62 0.67 -0.06 0.00 -1.73 0.00 0.00 68.15 67.65 1dxx h THR 97 CO 0.04 0.31 0.58 0.44 -0.25 0.00 0.00 175.52 176.64 1dxx h ASP 98 N 0.82 0.85 0.16 5.36 3.32 -1.91 0.91 116.42 125.93 1dxx h ASP 98 Ca 0.19 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.99 1dxx h ASP 98 Cb 0.29 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.69 1dxx h ASP 98 CO -0.01 0.52 -1.26 0.40 -1.72 0.00 0.00 179.24 177.17 1dxx h ILE 99 N 0.95 1.22 -0.37 0.35 1.08 -1.12 -1.23 117.51 118.39 1dxx h ILE 99 Ca 0.40 -2.51 -0.12 0.00 -0.39 0.00 0.00 64.86 62.24 1dxx h ILE 99 Cb 0.31 2.94 -0.01 0.00 -3.07 0.00 0.00 36.82 36.99 1dxx h ILE 99 CO -0.16 0.74 -0.25 0.58 -0.69 0.00 0.00 178.15 178.36 1dxx h VAL 100 N -0.21 1.28 0.00 1.67 2.07 0.22 -2.74 116.25 118.55 1dxx h VAL 100 Ca -0.25 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1dxx h VAL 100 Cb 1.83 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1dxx h VAL 100 CO 0.14 0.47 0.00 0.47 0.02 0.00 0.00 177.57 178.67 1dxx n ASP 101 N -4.21 0.18 -3.11 0.57 8.00 0.31 -4.85 116.55 113.44 1dxx n ASP 101 Ca -0.02 -1.96 -0.02 0.00 0.71 0.00 0.00 54.79 53.49 1dxx n ASP 101 Cb 0.46 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1dxx n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dxx n GLY 102 N 0.39 -1.24 3.37 0.44 0.00 -1.03 -4.96 105.19 102.16 1dxx n GLY 102 Ca 0.00 0.51 -0.43 0.00 0.00 0.00 0.00 46.02 46.10 1dxx n GLY 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dxx s ASN 103 N -2.98 5.99 0.32 1.61 3.84 -0.47 -4.96 114.94 118.29 1dxx s ASN 103 Ca 0.01 -1.26 0.03 0.00 0.21 0.00 0.00 52.86 51.85 1dxx s ASN 103 Cb -0.00 -2.12 0.53 0.00 -0.55 0.00 0.00 41.25 39.11 1dxx s ASN 103 CO 0.76 -0.56 1.83 1.12 -2.79 0.00 0.00 177.10 177.46 1dxx h HIS 104 N 8.63 0.58 0.11 0.43 2.07 -1.93 -0.07 115.15 124.98 1dxx h HIS 104 Ca -0.27 -0.07 -0.01 0.00 -2.85 0.00 0.00 60.37 57.18 1dxx h HIS 104 Cb 1.11 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 30.92 1dxx h HIS 104 CO 0.61 0.60 -0.05 0.87 -3.07 0.00 0.00 177.93 176.88 1dxx h LYS 105 N 0.52 -0.14 0.00 5.12 6.56 -1.97 0.11 116.57 126.78 1dxx h LYS 105 Ca 0.11 0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.63 1dxx h LYS 105 Cb 0.40 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 1dxx h LYS 105 CO 0.02 0.07 -0.34 -0.07 -2.06 0.00 0.00 179.45 177.06 1dxx h LEU 106 N -0.34 0.00 -0.16 2.94 3.38 -1.90 -0.05 115.31 119.18 1dxx h LEU 106 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1dxx h LEU 106 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1dxx h LEU 106 CO 0.02 0.34 -0.29 0.74 0.09 0.00 0.00 178.44 179.35 1dxx h THR 107 N 0.00 1.35 -0.71 0.22 2.02 -0.75 0.87 112.91 115.92 1dxx h THR 107 Ca -0.00 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1dxx h THR 107 Cb 0.81 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 1dxx h THR 107 CO 0.04 0.46 0.45 -0.07 0.37 0.00 0.00 175.52 176.78 1dxx h LEU 108 N 0.11 0.82 -0.56 2.58 3.38 -0.31 -2.03 115.31 119.29 1dxx h LEU 108 Ca 0.01 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1dxx h LEU 108 Cb 0.88 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1dxx h LEU 108 CO 0.07 0.61 0.19 1.23 0.09 0.00 0.00 178.44 180.63 1dxx h GLY 109 N 0.98 0.93 0.89 0.83 0.00 -0.68 0.15 103.07 106.17 1dxx h GLY 109 Ca 0.26 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1dxx h GLY 109 CO -0.05 0.51 -0.12 -2.00 0.00 0.00 0.00 176.54 174.87 1dxx h LEU 110 N 0.79 -0.29 -0.82 3.11 5.85 -0.57 0.34 115.31 123.70 1dxx h LEU 110 Ca 0.18 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1dxx h LEU 110 Cb 0.26 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1dxx h LEU 110 CO -0.01 -0.11 0.54 0.40 -0.34 0.00 0.00 178.44 178.92 1dxx h ILE 111 N -0.46 1.19 -0.69 4.05 1.08 -1.23 -0.22 117.51 121.23 1dxx h ILE 111 Ca -0.04 -0.37 0.02 0.00 -0.39 0.00 0.00 64.86 64.08 1dxx h ILE 111 Cb 0.35 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.07 1dxx h ILE 111 CO 0.06 0.20 0.44 -0.25 -0.69 0.00 0.00 178.15 177.91 1dxx h TRP 112 N 1.09 0.84 -0.40 1.37 -0.00 -0.30 -0.37 115.95 118.17 1dxx h TRP 112 Ca 0.31 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 59.18 1dxx h TRP 112 Cb -0.09 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 28.77 1dxx h TRP 112 CO -0.02 0.51 0.07 -0.91 -0.00 0.00 0.00 178.44 178.09 1dxx h ASN 113 N 0.89 0.56 -0.44 2.65 2.35 0.13 0.67 115.58 122.40 1dxx h ASN 113 Ca 0.26 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.78 1dxx h ASN 113 Cb -0.05 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1dxx h ASN 113 CO -0.08 0.58 -0.26 0.40 -1.65 0.00 0.00 177.43 176.42 1dxx h ILE 114 N 0.58 1.27 -0.35 2.81 2.04 -0.60 -1.36 117.51 121.90 1dxx h ILE 114 Ca 0.13 -1.43 -0.03 0.00 1.00 0.00 0.00 64.86 64.53 1dxx h ILE 114 Cb 0.27 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1dxx h ILE 114 CO 0.00 0.49 0.10 0.40 0.00 0.00 0.00 178.15 179.14 1dxx h ILE 115 N 0.82 1.21 -0.28 -0.67 2.04 -0.47 -1.41 117.51 118.76 1dxx h ILE 115 Ca 0.10 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.26 1dxx h ILE 115 Cb 0.84 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1dxx h ILE 115 CO 0.07 0.24 0.15 0.25 0.00 0.00 0.00 178.15 178.86 1dxx h LEU 116 N 0.42 0.22 0.40 1.44 5.85 -0.78 0.05 115.31 122.92 1dxx h LEU 116 Ca 0.11 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1dxx h LEU 116 Cb 0.27 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1dxx h LEU 116 CO -0.00 0.17 -0.36 -0.74 -0.34 0.00 0.00 178.44 177.17 1dxx h HIS 117 N 0.31 -0.99 -0.02 1.25 2.76 -1.08 0.20 115.15 117.57 1dxx h HIS 117 Ca 0.11 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1dxx h HIS 117 Cb 0.02 0.38 0.00 0.00 1.55 0.00 0.00 27.41 29.36 1dxx h HIS 117 CO -0.09 -0.49 0.00 0.91 -1.30 0.00 0.00 177.93 176.96 1dxx n TRP 118 N -4.58 0.02 0.00 5.26 8.01 -0.55 -4.26 117.44 121.34 1dxx n TRP 118 Ca -0.09 -0.01 0.00 0.00 -1.31 0.00 0.00 57.50 56.09 1dxx n TRP 118 Cb 0.34 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.64 1dxx n TRP 118 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 1dxx n GLN 119 N -0.19 0.00 -0.26 -0.99 7.27 -0.05 -4.85 117.38 118.30 1dxx n GLN 119 Ca 0.20 0.00 0.15 0.00 0.07 0.00 0.00 57.00 57.42 1dxx n GLN 119 Cb 0.27 0.00 0.43 0.00 2.41 0.00 0.00 30.24 33.35 1dxx n GLN 119 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1dxx h VAL 120 N 0.00 0.75 -0.19 1.69 2.07 -1.39 0.61 116.25 119.80 1dxx h VAL 120 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1dxx h VAL 120 Cb 0.00 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1dxx h VAL 120 CO 0.00 0.10 0.00 0.29 0.02 0.00 0.00 177.57 177.98 1dxx n LYS 121 N -4.56 1.68 0.16 1.57 5.02 0.69 -3.29 118.16 119.43 1dxx n LYS 121 Ca 0.19 -0.78 0.09 0.00 -2.02 0.00 0.00 58.31 55.78 1dxx n LYS 121 Cb 0.58 -1.35 0.08 0.00 -0.02 0.00 0.00 35.03 34.32 1dxx n LYS 121 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1dxx h ASN 122 N 1.17 0.00 0.33 4.39 2.35 -0.01 -2.85 115.58 120.95 1dxx h ASN 122 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dxx h ASN 122 Cb 0.49 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 1dxx h ASN 122 CO 0.05 0.16 -0.51 0.58 -1.65 0.00 0.00 177.43 176.06 1dxx h VAL 123 N 0.00 0.02 -0.16 2.81 2.07 -1.70 0.34 116.25 119.64 1dxx h VAL 123 Ca -0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1dxx h VAL 123 Cb 1.14 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1dxx h VAL 123 CO 0.02 0.00 -0.06 -0.03 0.02 0.00 0.00 177.57 177.52 1dxx h MET 124 N -0.89 0.24 -0.20 1.57 1.85 -1.81 -2.32 114.93 113.38 1dxx h MET 124 Ca -0.03 -0.04 -0.16 0.00 -0.61 0.00 0.00 59.70 58.85 1dxx h MET 124 Cb 0.82 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.80 1dxx h MET 124 CO -0.16 0.32 -0.54 0.87 -0.40 0.00 0.00 176.91 177.00 1dxx h LYS 125 N 0.23 0.59 -0.07 0.39 1.57 -1.11 -2.68 116.57 115.48 1dxx h LYS 125 Ca 0.05 -0.37 -0.10 0.00 -1.87 0.00 0.00 60.65 58.36 1dxx h LYS 125 Cb 0.27 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1dxx h LYS 125 CO 0.01 0.98 -0.42 -0.91 -0.57 0.00 0.00 179.45 178.54 1dxx h ASN 126 N 0.46 0.17 0.47 0.86 4.21 0.09 -2.03 115.58 119.80 1dxx h ASN 126 Ca 0.01 -0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.43 1dxx h ASN 126 Cb 1.08 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.24 1dxx h ASN 126 CO 0.10 0.58 -0.22 0.40 -1.29 0.00 0.00 177.43 177.00 1dxx h ILE 127 N 0.14 0.46 -1.00 2.81 1.08 -1.40 -1.70 117.51 117.90 1dxx h ILE 127 Ca 0.01 -0.39 0.14 0.00 -0.39 0.00 0.00 64.86 64.22 1dxx h ILE 127 Cb 0.80 0.62 -0.09 0.00 -3.07 0.00 0.00 36.82 35.08 1dxx h ILE 127 CO 0.06 0.06 0.63 0.24 -0.69 0.00 0.00 178.15 178.45 1dxx h MET 128 N -0.89 0.91 0.00 2.37 2.86 -1.44 0.45 114.93 119.20 1dxx h MET 128 Ca -0.06 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1dxx h MET 128 Cb 0.58 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 1dxx h MET 128 CO 0.11 0.60 -0.07 0.00 1.06 0.00 0.00 176.91 178.60 1dxx h ALA 129 N 1.57 1.41 0.00 6.32 0.00 -1.29 -2.71 119.26 124.56 1dxx h ALA 129 Ca 0.52 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1dxx h ALA 129 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1dxx h ALA 129 CO -0.30 0.09 -0.01 0.78 0.00 0.00 0.00 179.25 179.81 1dxx h GLY 130 N 0.48 0.01 -0.88 0.00 0.00 0.81 -3.27 103.07 100.22 1dxx h GLY 130 Ca -0.00 -0.02 0.28 0.00 0.00 0.00 0.00 47.33 47.59 1dxx h GLY 130 CO 0.01 0.01 0.11 1.41 0.00 0.00 0.00 176.54 178.08 1dxx h LEU 131 N -0.83 -0.33 -2.54 3.11 3.38 -1.07 0.26 115.31 117.30 1dxx h LEU 131 Ca -0.00 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1dxx h LEU 131 Cb 0.85 0.43 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1dxx h LEU 131 CO 0.00 -0.33 0.00 1.56 0.09 0.00 0.00 178.44 179.76 1dxx h GLN 132 N 0.04 0.00 -0.04 1.13 1.08 -1.54 0.16 115.11 115.93 1dxx h GLN 132 Ca 0.61 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.81 1dxx h GLN 132 Cb 1.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 1dxx h GLN 132 CO -0.86 0.00 0.00 0.94 -0.95 0.00 0.00 178.83 177.96 1dxx n GLN 133 N -3.04 1.75 -5.00 1.46 0.00 0.90 -4.91 117.38 108.54 1dxx n GLN 133 Ca -0.02 -1.10 -0.29 0.00 -0.00 0.00 0.00 57.00 55.59 1dxx n GLN 133 Cb 0.13 -1.47 -0.15 0.00 0.00 0.00 0.00 30.24 28.75 1dxx n GLN 133 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1dxx s THR 134 N -1.96 1.93 0.52 1.69 -1.32 0.55 -5.13 115.64 111.93 1dxx s THR 134 Ca 0.36 -1.18 0.09 0.00 -1.21 0.00 0.00 61.69 59.75 1dxx s THR 134 Cb 0.20 -1.63 0.06 0.00 -1.51 0.00 0.00 72.50 69.62 1dxx s THR 134 CO 0.32 0.42 0.70 0.54 -2.21 0.00 0.00 174.62 174.39 1dxx s ASN 135 N -0.90 5.25 0.18 8.08 4.22 -1.26 -4.92 114.94 125.58 1dxx s ASN 135 Ca 0.10 -0.73 -0.09 0.00 -2.14 0.00 0.00 52.86 50.00 1dxx s ASN 135 Cb -0.09 -0.01 0.06 0.00 1.28 0.00 0.00 41.25 42.49 1dxx s ASN 135 CO 0.01 -1.14 1.59 0.28 -2.04 0.00 0.00 177.10 175.79 1dxx h SER 136 N 0.37 0.98 -0.03 3.54 0.02 -1.99 -2.42 113.55 114.01 1dxx h SER 136 Ca -0.33 -0.35 0.04 0.00 -0.84 0.00 0.00 61.79 60.30 1dxx h SER 136 Cb 1.29 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 1dxx h SER 136 CO 0.43 1.13 -0.34 -0.08 -1.14 0.00 0.00 176.83 176.84 1dxx h GLU 137 N 0.85 -0.45 -0.69 3.45 4.81 -1.98 0.35 114.58 120.92 1dxx h GLU 137 Ca 0.12 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1dxx h GLU 137 Cb 0.74 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 1dxx h GLU 137 CO 0.06 -0.30 0.26 0.87 -0.73 0.00 0.00 179.01 179.16 1dxx h LYS 138 N -0.47 1.02 -0.42 1.92 6.56 -1.97 0.21 116.57 123.42 1dxx h LYS 138 Ca 0.07 -0.18 -0.08 0.00 -1.06 0.00 0.00 60.65 59.40 1dxx h LYS 138 Cb 0.57 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 32.05 1dxx h LYS 138 CO -0.30 0.84 -0.04 0.82 -2.06 0.00 0.00 179.45 178.71 1dxx h ILE 139 N 1.00 1.27 -0.06 1.86 2.04 -0.64 -1.83 117.51 121.14 1dxx h ILE 139 Ca 0.23 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 65.01 1dxx h ILE 139 Cb 0.21 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1dxx h ILE 139 CO -0.02 0.37 -0.08 0.25 0.00 0.00 0.00 178.15 178.68 1dxx h LEU 140 N 0.60 -0.24 -0.41 1.44 5.85 0.44 0.17 115.31 123.16 1dxx h LEU 140 Ca 0.11 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1dxx h LEU 140 Cb 0.54 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.62 1dxx h LEU 140 CO 0.03 -0.11 -0.08 0.25 -0.34 0.00 0.00 178.44 178.19 1dxx h LEU 141 N -0.11 -0.33 -0.48 2.25 5.85 -0.49 0.13 115.31 122.12 1dxx h LEU 141 Ca 0.05 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1dxx h LEU 141 Cb 0.18 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1dxx h LEU 141 CO -0.12 -0.12 0.30 0.28 -0.34 0.00 0.00 178.44 178.43 1dxx h SER 142 N 0.02 0.49 -0.88 1.25 0.02 -0.75 -0.97 113.55 112.73 1dxx h SER 142 Ca 0.20 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1dxx h SER 142 Cb 0.30 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 1dxx h SER 142 CO -0.40 0.35 0.57 -0.25 -1.14 0.00 0.00 176.83 175.95 1dxx h TRP 143 N 0.60 1.13 0.02 3.45 7.01 0.24 0.89 115.95 129.28 1dxx h TRP 143 Ca 0.19 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.20 1dxx h TRP 143 Cb -0.02 -0.38 0.00 0.00 -2.10 0.00 0.00 29.16 26.67 1dxx h TRP 143 CO -0.06 0.73 -0.01 0.28 -2.79 0.00 0.00 178.44 176.59 1dxx h VAL 144 N 1.21 1.09 -0.33 2.65 2.07 0.49 0.87 116.25 124.30 1dxx h VAL 144 Ca 0.32 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1dxx h VAL 144 Cb -0.11 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1dxx h VAL 144 CO -0.07 0.09 0.18 0.03 0.02 0.00 0.00 177.57 177.82 1dxx h ARG 145 N -0.17 0.35 -0.03 1.57 3.08 -1.16 0.23 114.38 118.26 1dxx h ARG 145 Ca -0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1dxx h ARG 145 Cb 0.16 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1dxx h ARG 145 CO 0.00 0.23 0.00 1.96 -1.07 0.00 0.00 179.97 181.10 1dxx h GLN 146 N 0.37 0.05 -0.96 0.04 4.20 -0.64 -0.94 115.11 117.23 1dxx h GLN 146 Ca 0.14 -0.01 0.18 0.00 0.06 0.00 0.00 58.65 59.01 1dxx h GLN 146 Cb 0.03 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.72 1dxx h GLN 146 CO -0.08 0.30 0.61 0.77 -0.67 0.00 0.00 178.83 179.75 1dxx h SER 147 N -0.21 0.68 -0.71 1.46 0.02 -0.44 -2.66 113.55 111.69 1dxx h SER 147 Ca 0.01 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1dxx h SER 147 Cb 0.27 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1dxx h SER 147 CO 0.00 0.28 0.00 0.35 -1.14 0.00 0.00 176.83 176.32 1dxx n THR 148 N -4.64 1.41 -0.17 -2.27 -2.24 0.78 -4.61 114.28 102.55 1dxx n THR 148 Ca 0.21 -1.10 0.14 0.00 -2.27 0.00 0.00 64.05 61.04 1dxx n THR 148 Cb 0.57 0.32 0.49 0.00 -2.10 0.00 0.00 70.33 69.60 1dxx n THR 148 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1dxx h ARG 149 N 4.28 0.44 -0.61 -0.78 0.11 -0.81 -2.14 114.38 114.88 1dxx h ARG 149 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1dxx h ARG 149 Cb 1.23 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1dxx h ARG 149 CO 0.12 0.29 0.00 0.09 0.10 0.00 0.00 179.97 180.57 1dxx n ASN 150 N -4.49 2.97 -4.04 0.08 3.02 -1.26 -4.69 115.26 106.85 1dxx n ASN 150 Ca 0.14 -2.28 -0.33 0.00 -0.03 0.00 0.00 54.58 52.08 1dxx n ASN 150 Cb 0.50 -0.45 -0.12 0.00 -0.61 0.00 0.00 39.78 39.09 1dxx n ASN 150 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1dxx s TYR 151 N -1.74 3.42 0.51 3.10 1.51 -0.80 -4.99 117.35 118.35 1dxx s TYR 151 Ca 0.29 -2.87 0.42 0.00 -1.01 0.00 0.00 57.07 53.89 1dxx s TYR 151 Cb 0.19 -3.03 2.14 0.00 -0.11 0.00 0.00 41.96 41.15 1dxx s TYR 151 CO 0.13 -0.85 2.27 -1.00 -1.11 0.00 0.00 175.55 174.99 1dxx h PRO 152 N 7.10 0.00 0.00 -1.71 0.13 -1.83 -1.92 132.00 133.76 1dxx h PRO 152 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1dxx h PRO 152 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1dxx h PRO 152 CO 0.67 0.00 -0.13 1.04 -0.23 0.00 0.00 178.00 179.35 1dxx n GLN 153 N -3.08 0.07 -4.29 0.86 3.00 -1.26 -4.79 117.38 107.89 1dxx n GLN 153 Ca -0.02 0.05 -0.34 0.00 -0.01 0.00 0.00 57.00 56.68 1dxx n GLN 153 Cb 0.14 -1.57 -0.11 0.00 0.00 0.00 0.00 30.24 28.70 1dxx n GLN 153 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1dxx s VAL 154 N -3.03 4.24 -0.34 5.09 1.01 -0.72 -4.92 120.40 121.72 1dxx s VAL 154 Ca 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 1dxx s VAL 154 Cb 0.17 -2.86 0.13 0.00 0.00 0.00 0.00 36.38 33.83 1dxx s VAL 154 CO 0.59 0.51 0.22 0.21 0.00 0.00 0.00 175.10 176.62 1dxx s ASN 155 N 0.09 2.84 -0.24 3.32 3.04 -1.26 -4.87 114.94 117.86 1dxx s ASN 155 Ca 0.02 -1.91 -0.26 0.00 0.04 0.00 0.00 52.86 50.75 1dxx s ASN 155 Cb -0.13 -0.26 -0.00 0.00 -1.54 0.00 0.00 41.25 39.32 1dxx s ASN 155 CO 0.02 -0.33 0.89 -0.69 -3.04 0.00 0.00 177.10 173.95 1dxx s VAL 156 N 1.34 4.79 0.00 -5.21 1.01 -1.26 -4.87 120.40 116.20 1dxx s VAL 156 Ca 0.16 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.83 1dxx s VAL 156 Cb -0.21 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1dxx s VAL 156 CO -0.08 -0.11 0.47 2.30 0.00 0.00 0.00 175.10 177.68 1dxx n ILE 157 N 5.29 0.20 -3.85 2.22 -5.35 -1.26 -4.81 119.36 111.80 1dxx n ILE 157 Ca 0.07 -0.41 -0.10 0.00 -0.27 0.00 0.00 62.75 62.04 1dxx n ILE 157 Cb 0.47 1.16 0.02 0.00 -1.74 0.00 0.00 39.64 39.55 1dxx n ILE 157 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1dxx n ASN 158 N -0.10 -2.09 -1.21 7.28 0.23 -1.26 -5.01 115.26 113.09 1dxx n ASN 158 Ca 0.00 -2.66 0.01 0.00 -0.53 0.00 0.00 54.58 51.40 1dxx n ASN 158 Cb 0.18 3.55 0.25 0.00 -2.08 0.00 0.00 39.78 41.68 1dxx n ASN 158 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1dxx n PHE 159 N -0.54 1.32 0.00 -2.53 3.72 -1.26 -4.49 117.46 113.67 1dxx n PHE 159 Ca -0.07 -1.17 0.00 0.00 -0.05 0.00 0.00 57.45 56.16 1dxx n PHE 159 Cb 0.59 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 1dxx n PHE 159 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1dxx n THR 160 N -0.63 0.00 0.32 4.37 -2.24 -1.26 -4.18 114.28 110.65 1dxx n THR 160 Ca 0.29 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.24 1dxx n THR 160 Cb 1.05 0.00 0.91 0.00 -2.10 0.00 0.00 70.33 70.19 1dxx n THR 160 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1dxx h THR 161 N 0.00 0.00 0.00 4.28 1.35 -1.89 -0.91 112.91 115.74 1dxx h THR 161 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1dxx h THR 161 Cb 0.00 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 1dxx h THR 161 CO 0.00 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.07 1dxx n SER 162 N -2.87 0.00 -0.15 5.36 7.64 -1.26 -2.81 113.62 119.53 1dxx n SER 162 Ca -0.02 -0.25 0.03 0.00 1.01 0.00 0.00 58.87 59.63 1dxx n SER 162 Cb 0.26 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1dxx n SER 162 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1dxx n TRP 163 N -1.10 0.00 0.02 1.43 7.02 -0.35 -4.65 117.44 119.82 1dxx n TRP 163 Ca 0.09 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.47 1dxx n TRP 163 Cb 0.07 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 28.91 1dxx n TRP 163 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 1dxx h SER 164 N 0.74 -0.28 0.00 -0.99 0.02 -1.66 -2.02 113.55 109.35 1dxx h SER 164 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1dxx h SER 164 Cb 0.20 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1dxx h SER 164 CO 0.00 -0.13 0.00 -0.90 -1.14 0.00 0.00 176.83 174.66 1dxx n ASP 165 N -5.22 0.00 0.00 3.07 5.68 -1.26 -4.41 116.55 114.40 1dxx n ASP 165 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1dxx n ASP 165 Cb 0.15 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1dxx n ASP 165 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dxx n GLY 166 N -0.97 2.42 0.07 6.12 0.00 -0.76 -4.63 105.19 107.43 1dxx n GLY 166 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1dxx n GLY 166 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dxx h LEU 167 N 0.00 -0.04 -0.65 0.99 3.38 -1.88 -2.95 115.31 114.16 1dxx h LEU 167 Ca 0.00 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.65 1dxx h LEU 167 Cb 0.00 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 1dxx h LEU 167 CO 0.00 0.38 0.33 0.00 0.09 0.00 0.00 178.44 179.24 1dxx h ALA 168 N 0.46 0.87 -0.40 1.53 0.00 -1.88 1.30 119.26 121.13 1dxx h ALA 168 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1dxx h ALA 168 Cb 0.44 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1dxx h ALA 168 CO 0.01 -0.04 0.26 1.25 0.00 0.00 0.00 179.25 180.73 1dxx h LEU 169 N 0.59 0.46 -0.11 0.00 5.85 -1.88 0.18 115.31 120.40 1dxx h LEU 169 Ca 0.30 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.97 1dxx h LEU 169 Cb 0.26 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1dxx h LEU 169 CO -0.22 0.34 -0.07 0.78 -0.34 0.00 0.00 178.44 178.93 1dxx h ASN 170 N 0.54 0.26 -0.63 1.25 2.35 -1.07 -2.69 115.58 115.58 1dxx h ASN 170 Ca 0.15 -0.43 0.12 0.00 -0.55 0.00 0.00 56.30 55.58 1dxx h ASN 170 Cb -0.06 -0.07 -0.09 0.00 0.05 0.00 0.00 38.32 38.16 1dxx h ASN 170 CO -0.03 0.63 0.16 0.00 -1.65 0.00 0.00 177.43 176.54 1dxx h ALA 171 N 0.63 0.77 -0.76 -0.83 0.00 0.18 -0.11 119.26 119.14 1dxx h ALA 171 Ca 0.02 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1dxx h ALA 171 Cb 0.54 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1dxx h ALA 171 CO 0.02 -0.29 0.50 1.25 0.00 0.00 0.00 179.25 180.74 1dxx h LEU 172 N 0.30 0.87 -0.44 0.00 5.85 -0.86 0.31 115.31 121.34 1dxx h LEU 172 Ca 0.33 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.88 1dxx h LEU 172 Cb 0.49 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1dxx h LEU 172 CO -0.40 0.63 -0.30 0.40 -0.34 0.00 0.00 178.44 178.43 1dxx h ILE 173 N 1.03 1.27 -0.52 4.05 2.04 -0.89 -3.22 117.51 121.27 1dxx h ILE 173 Ca 0.28 -1.47 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 1dxx h ILE 173 Cb -0.12 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1dxx h ILE 173 CO -0.06 0.50 0.31 -0.74 0.00 0.00 0.00 178.15 178.16 1dxx h HIS 174 N 0.82 0.69 -0.79 1.37 2.76 -0.23 0.30 115.15 120.05 1dxx h HIS 174 Ca 0.09 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.34 1dxx h HIS 174 Cb 0.89 -0.23 -0.05 0.00 1.55 0.00 0.00 27.41 29.57 1dxx h HIS 174 CO 0.06 0.48 0.52 0.66 -1.30 0.00 0.00 177.93 178.34 1dxx h SER 175 N 0.70 0.70 0.35 3.26 4.64 -0.46 -1.75 113.55 121.00 1dxx h SER 175 Ca 0.19 0.01 -0.32 0.00 -0.47 0.00 0.00 61.79 61.20 1dxx h SER 175 Cb -0.01 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 1dxx h SER 175 CO -0.03 0.43 -1.75 0.45 -0.87 0.00 0.00 176.83 175.06 1dxx h HIS 176 N 0.79 0.33 -2.48 4.77 3.86 -1.33 -3.42 115.15 117.67 1dxx h HIS 176 Ca 0.36 -0.24 -0.60 0.00 -1.16 0.00 0.00 60.37 58.72 1dxx h HIS 176 Cb 0.36 -0.01 -0.41 0.00 1.06 0.00 0.00 27.41 28.41 1dxx h HIS 176 CO -0.00 1.42 -0.74 0.54 0.86 0.00 0.00 177.93 180.00 1dxx n ARG 177 N -3.35 1.58 0.26 2.45 5.12 0.96 -4.89 116.66 118.79 1dxx n ARG 177 Ca -0.22 -4.10 0.18 0.00 -1.93 0.00 0.00 57.85 51.78 1dxx n ARG 177 Cb 1.05 -1.98 0.84 0.00 -1.16 0.00 0.00 32.46 31.21 1dxx n ARG 177 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1dxx h PRO 178 N 4.79 0.00 0.00 5.56 0.13 -1.56 -1.77 132.00 139.15 1dxx h PRO 178 Ca 0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.28 1dxx h PRO 178 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1dxx h PRO 178 CO 0.65 0.00 -0.13 0.38 -0.23 0.00 0.00 178.00 178.67 1dxx h ASP 179 N 0.00 0.00 1.76 1.44 3.04 -1.90 -3.29 116.42 117.46 1dxx h ASP 179 Ca 0.00 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.75 1dxx h ASP 179 Cb 0.24 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.52 1dxx h ASP 179 CO 0.00 0.13 -0.21 -0.07 -2.04 0.00 0.00 179.24 177.05 1dxx h LEU 180 N 0.00 0.00 0.00 0.15 3.38 -1.71 -3.48 115.31 113.65 1dxx h LEU 180 Ca -0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 1dxx h LEU 180 Cb 0.55 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1dxx h LEU 180 CO 0.02 0.21 0.54 2.22 0.09 0.00 0.00 178.44 181.52 1dxx n PHE 181 N -3.16 -0.54 -3.75 1.13 -1.74 -1.24 -5.14 117.46 103.02 1dxx n PHE 181 Ca 0.03 -0.59 -0.37 0.00 -0.56 0.00 0.00 57.45 55.97 1dxx n PHE 181 Cb 0.61 0.27 -0.12 0.00 1.52 0.00 0.00 39.48 41.76 1dxx n PHE 181 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1dxx s ASP 182 N -2.80 5.15 0.17 5.98 2.15 -1.26 -4.92 116.67 121.14 1dxx s ASP 182 Ca 0.19 -0.26 -0.21 0.00 0.43 0.00 0.00 52.55 52.70 1dxx s ASP 182 Cb -0.01 -1.92 0.09 0.00 -0.30 0.00 0.00 42.92 40.77 1dxx s ASP 182 CO 0.01 -0.06 1.62 -0.25 -0.17 0.00 0.00 175.17 176.32 1dxx h TRP 183 N 8.24 -0.69 -0.53 -5.34 -0.00 -2.00 -0.68 115.95 114.96 1dxx h TRP 183 Ca -0.38 0.05 0.01 0.00 -0.00 0.00 0.00 58.89 58.58 1dxx h TRP 183 Cb 1.17 0.36 -0.03 0.00 -0.00 0.00 0.00 29.16 30.67 1dxx h TRP 183 CO 0.66 -0.33 0.35 -0.91 -0.00 0.00 0.00 178.44 178.21 1dxx h ASN 184 N -0.19 0.59 0.63 2.65 2.35 -1.99 -1.07 115.58 118.56 1dxx h ASN 184 Ca 0.19 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1dxx h ASN 184 Cb 0.49 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1dxx h ASN 184 CO -0.52 0.43 0.00 -1.54 -1.65 0.00 0.00 177.43 174.15 1dxx n SER 185 N -4.46 0.01 0.03 5.81 3.41 -0.27 -1.12 113.62 117.03 1dxx n SER 185 Ca 0.05 0.50 -0.22 0.00 -0.26 0.00 0.00 58.87 58.94 1dxx n SER 185 Cb 0.07 -0.50 -0.14 0.00 -0.26 0.00 0.00 64.21 63.37 1dxx n SER 185 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1dxx h VAL 186 N 0.00 0.73 -0.17 -3.33 2.07 -1.19 -3.31 116.25 111.06 1dxx h VAL 186 Ca 0.00 -2.40 -0.02 0.00 0.82 0.00 0.00 66.70 65.10 1dxx h VAL 186 Cb 0.31 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1dxx h VAL 186 CO 0.00 0.89 0.03 0.58 0.02 0.00 0.00 177.57 179.09 1dxx h VAL 187 N 0.08 1.09 -0.02 2.57 2.07 -0.34 -1.91 116.25 119.79 1dxx h VAL 187 Ca -0.40 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1dxx h VAL 187 Cb 2.06 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1dxx h VAL 187 CO 0.12 0.12 -0.03 -1.54 0.02 0.00 0.00 177.57 176.25 1dxx n SER 188 N -4.43 1.75 -4.53 0.57 3.41 -0.27 -4.58 113.62 105.53 1dxx n SER 188 Ca -0.00 -1.54 -0.42 0.00 -0.26 0.00 0.00 58.87 56.65 1dxx n SER 188 Cb 0.14 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1dxx n SER 188 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1dxx s GLN 189 N -2.05 3.62 0.52 4.33 2.00 -0.72 -4.88 119.66 122.48 1dxx s GLN 189 Ca 0.35 -1.34 0.41 0.00 -2.00 0.00 0.00 55.36 52.77 1dxx s GLN 189 Cb 0.21 -5.26 1.59 0.00 0.80 0.00 0.00 33.01 30.35 1dxx s GLN 189 CO 0.35 -2.10 1.65 -0.56 -0.50 0.00 0.00 175.29 174.13 1dxx h GLN 190 N 9.41 0.04 -6.31 1.67 3.07 -1.84 -3.41 115.11 117.74 1dxx h GLN 190 Ca 0.20 -0.00 -0.57 0.00 0.09 0.00 0.00 58.65 58.37 1dxx h GLN 190 Cb 1.00 -0.01 -0.05 0.00 0.08 0.00 0.00 27.48 28.50 1dxx h GLN 190 CO 1.35 0.02 0.93 0.45 0.09 0.00 0.00 178.83 181.68 1dxx s SER 191 N -4.39 6.77 0.11 0.06 0.15 -1.26 -4.89 113.70 110.25 1dxx s SER 191 Ca -0.06 1.24 -0.16 0.00 0.70 0.00 0.00 55.95 57.67 1dxx s SER 191 Cb 0.27 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.99 1dxx s SER 191 CO 0.85 -0.99 1.55 0.00 1.20 0.00 0.00 173.24 175.85 1dxx h ALA 192 N 8.86 0.46 -0.99 5.45 0.00 -1.82 0.34 119.26 131.56 1dxx h ALA 192 Ca -0.25 -0.25 0.17 0.00 0.00 0.00 0.00 54.91 54.58 1dxx h ALA 192 Cb 1.09 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.66 1dxx h ALA 192 CO 1.02 0.22 0.60 1.15 0.00 0.00 0.00 179.25 182.24 1dxx h THR 193 N 0.41 0.77 0.02 0.00 2.02 -1.90 0.41 112.91 114.63 1dxx h THR 193 Ca 0.10 -0.28 -0.21 0.00 0.77 0.00 0.00 66.41 66.78 1dxx h THR 193 Cb 0.46 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1dxx h THR 193 CO 0.02 0.15 -0.95 1.56 0.37 0.00 0.00 175.52 176.67 1dxx h GLN 194 N 0.81 0.24 -0.53 6.66 4.20 -1.80 -2.70 115.11 121.99 1dxx h GLN 194 Ca 0.54 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 1dxx h GLN 194 Cb 0.76 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.60 1dxx h GLN 194 CO -0.35 1.02 0.24 0.00 -0.67 0.00 0.00 178.83 179.07 1dxx h ARG 195 N 0.12 0.74 0.00 1.46 3.08 0.12 -1.94 114.38 117.96 1dxx h ARG 195 Ca -0.06 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1dxx h ARG 195 Cb 1.60 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.51 1dxx h ARG 195 CO 0.15 0.59 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.57 1dxx h LEU 196 N 0.74 -0.00 -1.09 3.04 3.38 -1.12 -0.26 115.31 120.00 1dxx h LEU 196 Ca 0.18 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1dxx h LEU 196 Cb 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1dxx h LEU 196 CO -0.02 0.38 0.32 -0.33 0.09 0.00 0.00 178.44 178.87 1dxx h GLU 197 N -0.39 0.95 0.27 1.13 5.08 -1.47 0.34 114.58 120.50 1dxx h GLU 197 Ca -0.00 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1dxx h GLU 197 Cb 0.39 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1dxx h GLU 197 CO 0.00 0.74 -0.24 1.25 -1.00 0.00 0.00 179.01 179.76 1dxx h HIS 198 N 0.95 -0.64 -0.51 4.33 2.76 -1.16 0.10 115.15 120.98 1dxx h HIS 198 Ca 0.23 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1dxx h HIS 198 Cb 0.11 0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 1dxx h HIS 198 CO 0.01 -0.36 0.31 0.00 -1.30 0.00 0.00 177.93 176.59 1dxx h ALA 199 N 0.11 0.65 -0.96 5.26 0.00 -0.55 0.03 119.26 123.79 1dxx h ALA 199 Ca -0.01 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1dxx h ALA 199 Cb 0.48 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1dxx h ALA 199 CO -0.03 0.12 0.63 0.74 0.00 0.00 0.00 179.25 180.71 1dxx h PHE 200 N 0.68 1.16 -0.16 0.00 0.04 0.08 0.56 116.94 119.30 1dxx h PHE 200 Ca 0.18 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.93 1dxx h PHE 200 Cb -0.03 -0.39 -0.00 0.00 2.20 0.00 0.00 35.95 37.73 1dxx h PHE 200 CO -0.03 0.65 -0.13 -0.91 -0.60 0.00 0.00 178.31 177.29 1dxx h ASN 201 N 1.18 0.39 -0.46 2.17 2.35 -0.09 0.51 115.58 121.62 1dxx h ASN 201 Ca 0.39 -0.46 0.05 0.00 -0.55 0.00 0.00 56.30 55.74 1dxx h ASN 201 Cb 0.07 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.28 1dxx h ASN 201 CO -0.13 0.76 0.18 0.40 -1.65 0.00 0.00 177.43 176.99 1dxx h ILE 202 N 0.02 0.88 -0.39 2.81 5.03 -0.62 0.58 117.51 125.81 1dxx h ILE 202 Ca 0.03 -0.13 -0.06 0.00 -0.12 0.00 0.00 64.86 64.59 1dxx h ILE 202 Cb 0.64 0.48 -0.02 0.00 -3.03 0.00 0.00 36.82 34.89 1dxx h ILE 202 CO 0.03 0.07 0.01 0.00 -0.68 0.00 0.00 178.15 177.58 1dxx h ALA 203 N 1.29 1.28 -0.02 1.87 0.00 0.45 0.48 119.26 124.61 1dxx h ALA 203 Ca 0.21 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1dxx h ALA 203 Cb 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1dxx h ALA 203 CO -0.20 0.49 -0.24 -0.09 0.00 0.00 0.00 179.25 179.21 1dxx h ARG 204 N 0.59 0.20 0.16 0.00 9.65 0.13 0.63 114.38 125.74 1dxx h ARG 204 Ca 0.12 -0.19 -0.36 0.00 -1.10 0.00 0.00 59.98 58.46 1dxx h ARG 204 Cb 0.36 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1dxx h ARG 204 CO 0.01 0.88 -1.85 1.88 2.80 0.00 0.00 179.97 183.69 1dxx h TYR 205 N -0.41 0.61 0.02 2.20 0.05 0.15 -2.22 116.97 117.36 1dxx h TYR 205 Ca -0.02 -0.45 -0.26 0.00 0.05 0.00 0.00 58.73 58.05 1dxx h TYR 205 Cb 0.95 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.63 1dxx h TYR 205 CO 0.16 1.71 -1.38 1.96 -1.05 0.00 0.00 178.16 179.56 1dxx h GLN 206 N 0.09 0.05 0.00 4.88 1.08 -0.14 -3.39 115.11 117.68 1dxx h GLN 206 Ca -0.38 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 1dxx h GLN 206 Cb 2.07 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.53 1dxx h GLN 206 CO 0.14 0.83 -0.74 1.28 -0.95 0.00 0.00 178.83 179.38 1dxx n LEU 207 N -3.25 0.64 0.00 1.46 4.77 -0.99 -4.98 117.00 114.65 1dxx n LEU 207 Ca -0.10 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1dxx n LEU 207 Cb 1.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 1dxx n LEU 207 CO 0.47 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1dxx n GLY 208 N 1.36 0.74 3.66 -0.72 0.00 -0.72 -4.97 105.19 104.54 1dxx n GLY 208 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1dxx n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dxx s ILE 209 N -2.57 4.79 0.19 -0.61 -1.09 0.21 -4.91 121.20 117.22 1dxx s ILE 209 Ca 0.00 1.75 -0.31 0.00 -2.23 0.00 0.00 60.65 59.86 1dxx s ILE 209 Cb 0.00 -4.19 -0.10 0.00 -1.58 0.00 0.00 42.46 36.59 1dxx s ILE 209 CO 0.00 -0.08 1.56 -0.70 -1.23 0.00 0.00 174.94 174.49 1dxx s GLU 210 N 2.77 4.21 -1.16 2.79 2.56 -1.26 -3.14 118.70 125.47 1dxx s GLU 210 Ca 0.39 2.39 -0.21 0.00 0.00 0.00 0.00 54.97 57.53 1dxx s GLU 210 Cb -0.16 -3.13 -0.02 0.00 2.00 0.00 0.00 34.13 32.83 1dxx s GLU 210 CO 0.08 -0.59 1.82 0.15 -0.56 0.00 0.00 175.26 176.17 1dxx s LYS 211 N 0.76 3.09 0.31 4.30 1.02 -1.26 -4.75 119.74 123.21 1dxx s LYS 211 Ca 0.68 -1.31 0.08 0.00 0.02 0.00 0.00 55.97 55.45 1dxx s LYS 211 Cb -0.44 -5.32 0.52 0.00 -0.52 0.00 0.00 37.83 32.07 1dxx s LYS 211 CO 0.35 -3.17 1.73 -0.07 -0.92 0.00 0.00 175.35 173.27 1dxx h LEU 212 N 15.60 0.18 -9.66 3.17 3.38 -1.98 -3.45 115.31 122.55 1dxx h LEU 212 Ca 0.27 -0.07 -0.64 0.00 0.09 0.00 0.00 57.88 57.53 1dxx h LEU 212 Cb 0.93 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 1dxx h LEU 212 CO 1.32 0.57 -0.57 -0.76 0.09 0.00 0.00 178.44 179.08 1dxx s LEU 213 N -8.23 3.95 0.11 1.67 1.43 -1.26 -5.13 118.68 111.22 1dxx s LEU 213 Ca -0.04 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1dxx s LEU 213 Cb 0.14 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1dxx s LEU 213 CO 0.76 0.21 0.09 -1.81 0.23 0.00 0.00 176.35 175.83 1dxx s ASP 214 N -2.16 5.48 0.37 2.29 1.01 -1.26 -5.00 116.67 117.40 1dxx s ASP 214 Ca 0.28 -0.07 0.10 0.00 0.71 0.00 0.00 52.55 53.57 1dxx s ASP 214 Cb -0.12 -1.44 0.87 0.00 1.01 0.00 0.00 42.92 43.24 1dxx s ASP 214 CO 0.20 0.13 1.87 -0.65 0.21 0.00 0.00 175.17 176.93 1dxx h PRO 215 N 2.99 0.62 0.00 8.23 0.11 -1.94 0.15 132.00 142.15 1dxx h PRO 215 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1dxx h PRO 215 Cb 1.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1dxx h PRO 215 CO 0.64 0.41 0.00 1.05 -0.21 0.00 0.00 178.00 179.89 1dxx h GLU 216 N 0.63 0.00 0.00 1.05 9.09 -1.95 0.14 114.58 123.55 1dxx h GLU 216 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1dxx h GLU 216 Cb 0.79 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.89 1dxx h GLU 216 CO -0.20 0.00 0.00 -0.44 0.05 0.00 0.00 179.01 178.42 1dxx h ASP 217 N 0.00 0.00 0.00 3.06 3.32 -1.35 -3.36 116.42 118.08 1dxx h ASP 217 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1dxx h ASP 217 Cb 0.35 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1dxx h ASP 217 CO 0.00 0.00 -1.56 0.52 -1.72 0.00 0.00 179.24 176.48 1dxx n VAL 218 N -3.01 1.23 -2.29 -1.35 0.31 -0.90 -3.68 118.33 108.65 1dxx n VAL 218 Ca 0.03 -0.08 -0.42 0.00 -0.01 0.00 0.00 64.34 63.86 1dxx n VAL 218 Cb 0.46 -1.92 -0.00 0.00 -0.91 0.00 0.00 33.84 31.46 1dxx n VAL 218 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1dxx n ASP 219 N -4.02 4.51 -3.56 4.52 2.03 0.43 -4.23 116.55 116.23 1dxx n ASP 219 Ca -0.28 -2.88 -0.09 0.00 0.52 0.00 0.00 54.79 52.06 1dxx n ASP 219 Cb 0.62 -1.71 -0.04 0.00 -0.72 0.00 0.00 41.12 39.26 1dxx n ASP 219 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1dxx s THR 220 N 4.26 0.00 0.31 5.18 -1.32 -1.26 -4.69 115.64 118.13 1dxx s THR 220 Ca 0.53 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.02 1dxx s THR 220 Cb 0.07 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.26 1dxx s THR 220 CO 0.04 0.00 1.90 0.74 -2.21 0.00 0.00 174.62 175.09 1dxx h THR 221 N 2.38 1.20 -2.85 5.08 2.02 -1.94 -3.36 112.91 115.45 1dxx h THR 221 Ca -0.18 -0.61 -0.61 0.00 0.77 0.00 0.00 66.41 65.78 1dxx h THR 221 Cb 1.18 0.53 -0.41 0.00 -1.74 0.00 0.00 68.15 67.71 1dxx h THR 221 CO 0.30 0.24 -0.63 -1.22 0.37 0.00 0.00 175.52 174.58 1dxx n TYR 222 N -4.34 2.76 -2.07 3.16 4.01 -1.26 -4.92 117.16 114.50 1dxx n TYR 222 Ca 0.05 -4.16 -0.34 0.00 -0.16 0.00 0.00 57.90 53.29 1dxx n TYR 222 Cb 0.16 -0.51 0.02 0.00 -0.31 0.00 0.00 39.34 38.69 1dxx n TYR 222 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1dxx s PRO 223 N -1.43 3.21 -0.27 -0.72 0.02 -1.26 -4.97 135.00 129.58 1dxx s PRO 223 Ca 0.28 1.40 -0.24 0.00 0.02 0.00 0.00 61.00 62.46 1dxx s PRO 223 Cb -0.00 -2.00 -0.00 0.00 0.02 0.00 0.00 34.50 32.51 1dxx s PRO 223 CO -0.15 -0.93 0.80 0.34 -0.33 0.00 0.00 177.00 176.73 1dxx s ASP 224 N -2.34 6.74 0.08 2.53 2.15 -1.24 -4.85 116.67 119.74 1dxx s ASP 224 Ca 0.68 0.86 -0.31 0.00 0.43 0.00 0.00 52.55 54.21 1dxx s ASP 224 Cb -0.20 -2.42 -0.17 0.00 -0.30 0.00 0.00 42.92 39.83 1dxx s ASP 224 CO 0.34 -0.54 1.64 0.50 -0.17 0.00 0.00 175.17 176.94 1dxx h LYS 225 N 7.87 -0.70 -0.57 4.34 3.64 -1.94 -2.58 116.57 126.63 1dxx h LYS 225 Ca -0.24 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1dxx h LYS 225 Cb 1.10 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 33.01 1dxx h LYS 225 CO 0.87 -0.47 0.23 0.87 -2.27 0.00 0.00 179.45 178.68 1dxx h LYS 226 N -0.73 0.42 -0.74 1.90 1.57 -1.94 0.06 116.57 117.11 1dxx h LYS 226 Ca -0.07 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1dxx h LYS 226 Cb 0.57 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1dxx h LYS 226 CO 0.10 0.28 0.22 0.77 -0.57 0.00 0.00 179.45 180.24 1dxx h SER 227 N 0.43 1.09 -0.11 0.86 0.02 -1.92 -0.82 113.55 113.09 1dxx h SER 227 Ca 0.27 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1dxx h SER 227 Cb 0.29 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1dxx h SER 227 CO -0.26 1.02 0.01 0.40 -1.14 0.00 0.00 176.83 176.86 1dxx h ILE 228 N 1.10 1.24 -0.55 3.27 2.04 -1.01 -0.20 117.51 123.40 1dxx h ILE 228 Ca 0.24 -0.76 0.11 0.00 1.00 0.00 0.00 64.86 65.44 1dxx h ILE 228 Cb 0.33 1.53 -0.11 0.00 -0.74 0.00 0.00 36.82 37.84 1dxx h ILE 228 CO -0.00 0.22 -0.18 0.25 0.00 0.00 0.00 178.15 178.44 1dxx h LEU 229 N -0.07 -0.64 -0.04 1.44 5.85 -0.71 0.37 115.31 121.51 1dxx h LEU 229 Ca 0.03 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1dxx h LEU 229 Cb 0.33 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1dxx h LEU 229 CO 0.00 -0.22 0.01 -0.03 -0.34 0.00 0.00 178.44 177.87 1dxx h MET 230 N -0.05 0.03 -0.35 1.25 4.05 -1.09 -0.81 114.93 117.96 1dxx h MET 230 Ca 0.26 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.68 1dxx h MET 230 Cb 0.45 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.22 1dxx h MET 230 CO -0.59 0.02 0.22 -0.92 0.23 0.00 0.00 176.91 175.87 1dxx h TYR 231 N 0.03 0.46 0.00 1.39 3.20 0.88 -2.24 116.97 120.69 1dxx h TYR 231 Ca 0.02 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1dxx h TYR 231 Cb 0.01 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1dxx h TYR 231 CO -0.09 0.33 -0.23 0.82 -1.64 0.00 0.00 178.16 177.35 1dxx h ILE 232 N 0.46 1.10 -0.51 1.81 1.08 -0.14 -2.29 117.51 119.02 1dxx h ILE 232 Ca 0.13 -0.79 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 1dxx h ILE 232 Cb -0.00 1.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 1dxx h ILE 232 CO -0.02 0.22 0.26 0.74 -0.69 0.00 0.00 178.15 178.66 1dxx h THR 233 N 0.00 1.19 -0.89 -0.27 2.02 -0.71 -1.02 112.91 113.22 1dxx h THR 233 Ca -0.00 -0.50 0.12 0.00 0.77 0.00 0.00 66.41 66.79 1dxx h THR 233 Cb 0.41 0.58 -0.08 0.00 -1.74 0.00 0.00 68.15 67.32 1dxx h THR 233 CO 0.03 0.20 0.52 0.28 0.37 0.00 0.00 175.52 176.92 1dxx h SER 234 N 0.68 0.72 -0.41 4.18 0.02 -0.84 -0.36 113.55 117.54 1dxx h SER 234 Ca 0.18 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1dxx h SER 234 Cb 0.09 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1dxx h SER 234 CO -0.03 0.37 0.04 -0.07 -1.14 0.00 0.00 176.83 176.00 1dxx h LEU 235 N 0.81 0.68 -1.00 5.07 3.38 -1.18 -3.10 115.31 119.97 1dxx h LEU 235 Ca 0.45 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1dxx h LEU 235 Cb 0.50 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1dxx h LEU 235 CO -0.29 0.79 0.66 0.15 0.09 0.00 0.00 178.44 179.84 1dxx h PHE 236 N 0.55 1.24 0.00 1.13 3.04 -0.87 0.27 116.94 122.30 1dxx h PHE 236 Ca 0.12 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1dxx h PHE 236 Cb 0.42 -0.42 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1dxx h PHE 236 CO 0.03 0.74 0.00 1.96 -2.02 0.00 0.00 178.31 179.02 1dxx h GLN 237 N 1.30 0.00 0.00 1.11 4.20 -0.99 -3.20 115.11 117.53 1dxx h GLN 237 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1dxx h GLN 237 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1dxx h GLN 237 CO -0.11 0.00 0.00 1.33 -0.67 0.00 0.00 178.83 179.38 1dxx n VAL 238 N -2.85 0.46 -4.18 -0.54 0.24 0.02 -5.05 118.33 106.44 1dxx n VAL 238 Ca -0.02 -0.59 -0.23 0.00 -2.04 0.00 0.00 64.34 61.46 1dxx n VAL 238 Cb 0.10 0.87 -0.07 0.00 -1.47 0.00 0.00 33.84 33.27 1dxx n VAL 238 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1dxx s LEU 239 N -0.46 3.25 0.56 1.34 1.43 -0.79 -5.10 118.68 118.90 1dxx s LEU 239 Ca 0.00 -0.72 -0.21 0.00 -1.03 0.00 0.00 54.13 52.17 1dxx s LEU 239 Cb 0.00 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1dxx s LEU 239 CO 0.00 -0.18 1.36 -2.84 0.23 0.00 0.00 176.35 174.92 1dxx s PRO 240 N -3.78 3.08 -0.51 1.29 0.02 -1.26 -4.88 135.00 128.96 1dxx s PRO 240 Ca 0.35 2.23 0.05 0.00 0.02 0.00 0.00 61.00 63.65 1dxx s PRO 240 Cb -0.04 -2.22 0.38 0.00 0.02 0.00 0.00 34.50 32.64 1dxx s PRO 240 CO 0.22 -1.24 1.03 1.04 -0.33 0.00 0.00 177.00 177.72 1dxx n GLN 241 N -1.11 3.34 -2.55 5.54 6.02 -1.26 -5.02 117.38 122.34 1dxx n GLN 241 Ca 0.11 -4.69 -0.43 0.00 -0.01 0.00 0.00 57.00 51.98 1dxx n GLN 241 Cb 0.45 -2.24 -0.02 0.00 1.02 0.00 0.00 30.24 29.45 1dxx n GLN 241 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1dxx s GLN 242 N -3.51 4.21 0.41 -1.09 -1.52 -1.26 -5.02 119.66 111.88 1dxx s GLN 242 Ca 0.48 1.45 0.05 0.00 -1.95 0.00 0.00 55.36 55.39 1dxx s GLN 242 Cb 0.34 -3.71 -0.06 0.00 -0.22 0.00 0.00 33.01 29.36 1dxx s GLN 242 CO -0.17 -0.72 0.03 0.14 -0.25 0.00 0.00 175.29 174.33 1dxx s VAL 243 N 3.44 1.47 -0.03 1.09 -7.23 -1.26 -4.71 120.40 113.16 1dxx s VAL 243 Ca 0.49 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 1dxx s VAL 243 Cb -0.18 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 1dxx s VAL 243 CO 0.11 0.00 -0.06 -0.55 -0.31 0.00 0.00 175.10 174.30 1dxx s SER 244 N -3.67 4.73 0.05 4.85 0.15 -1.26 -5.07 113.70 113.48 1dxx s SER 244 Ca 0.28 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.88 1dxx s SER 244 Cb 0.07 -1.17 -0.03 0.00 -1.71 0.00 0.00 66.02 63.18 1dxx s SER 244 CO 0.14 0.32 -0.05 -0.63 1.20 0.00 0.00 173.24 174.22 1dxx s ILE 245 N -0.92 0.39 0.00 6.45 1.01 -1.26 -5.01 121.20 121.86 1dxx s ILE 245 Ca 0.15 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.42 1dxx s ILE 245 Cb -0.11 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.41 1dxx s ILE 245 CO 0.05 -0.65 0.00 -0.62 0.00 0.00 0.00 174.94 173.72