#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 1.82 -3.21 1.67 7.64 -1.26 -5.00 113.62 115.29 1dxx n SER 10 Ca 0.00 0.36 -0.13 0.00 1.01 0.00 0.00 58.87 60.12 1dxx n SER 10 Cb 0.00 -0.75 0.06 0.00 -1.01 0.00 0.00 64.21 62.51 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 -4.38 -2.52 -3.49 1.43 -0.00 -1.26 -4.97 117.16 101.96 1dxx n TYR 11 Ca -0.12 0.89 -0.42 0.00 -0.00 0.00 0.00 57.90 58.25 1dxx n TYR 11 Cb 0.45 -4.11 -0.08 0.00 -0.00 0.00 0.00 39.34 35.60 1dxx n TYR 11 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1dxx s GLU 12 N -4.18 2.71 -0.73 -3.48 0.41 -1.26 -5.04 118.70 107.12 1dxx s GLU 12 Ca 0.39 -1.58 -0.16 0.00 -0.41 0.00 0.00 54.97 53.21 1dxx s GLU 12 Cb -0.05 -3.99 0.16 0.00 -1.78 0.00 0.00 34.13 28.47 1dxx s GLU 12 CO 0.73 -1.11 0.76 1.03 -0.49 0.00 0.00 175.26 176.18 1dxx s ARG 13 N 1.48 3.35 0.51 1.61 1.81 -1.26 -4.92 118.95 121.53 1dxx s ARG 13 Ca 0.04 -1.93 0.22 0.00 -1.72 0.00 0.00 55.73 52.35 1dxx s ARG 13 Cb -0.26 -4.44 1.37 0.00 -0.45 0.00 0.00 34.95 31.17 1dxx s ARG 13 CO 0.02 -1.44 2.10 0.93 -0.68 0.00 0.00 175.30 176.23 1dxx h GLU 14 N 8.51 0.00 -0.24 3.54 5.08 -1.99 0.98 114.58 130.46 1dxx h GLU 14 Ca -0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 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 0.95 0.10 -0.46 0.38 -1.00 0.00 0.00 179.01 178.98 1dxx h ASP 15 N 0.00 0.82 -0.17 1.42 2.03 -2.00 -1.49 116.42 117.03 1dxx h ASP 15 Ca -0.00 -0.54 -0.11 0.00 -0.73 0.00 0.00 57.03 55.65 1dxx h ASP 15 Cb 0.21 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 1dxx h ASP 15 CO 0.01 1.21 -0.32 0.58 -1.03 0.00 0.00 179.24 179.69 1dxx h VAL 16 N 0.46 1.34 -0.57 4.15 2.07 -1.70 -3.15 116.25 118.85 1dxx h VAL 16 Ca 0.01 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1dxx h VAL 16 Cb 1.07 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 1dxx h VAL 16 CO 0.10 0.47 0.37 1.56 0.02 0.00 0.00 177.57 180.09 1dxx h GLN 17 N 0.17 0.76 -0.56 1.57 4.20 -0.79 -0.64 115.11 119.82 1dxx h GLN 17 Ca 0.01 -0.05 0.10 0.00 0.06 0.00 0.00 58.65 58.77 1dxx h GLN 17 Cb 0.91 -0.17 -0.08 0.00 0.30 0.00 0.00 27.48 28.44 1dxx h GLN 17 CO 0.07 0.51 0.14 -0.22 -0.67 0.00 0.00 178.83 178.66 1dxx h LYS 18 N 0.78 0.27 0.16 1.46 3.64 -1.24 0.72 116.57 122.36 1dxx h LYS 18 Ca 0.21 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1dxx h LYS 18 Cb -0.07 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1dxx h LYS 18 CO -0.04 0.18 -0.08 0.87 -2.27 0.00 0.00 179.45 178.11 1dxx h LYS 19 N 0.28 -0.20 -0.51 1.90 1.57 -1.26 -2.73 116.57 115.62 1dxx h LYS 19 Ca 0.29 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.96 1dxx h LYS 19 Cb 0.39 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1dxx h LYS 19 CO -0.35 0.23 -0.14 1.79 -0.57 0.00 0.00 179.45 180.41 1dxx h THR 20 N -0.82 1.27 -0.59 -0.16 1.35 -0.97 0.04 112.91 113.03 1dxx h THR 20 Ca -0.02 -1.30 -0.03 0.00 -0.55 0.00 0.00 66.41 64.51 1dxx h THR 20 Cb 0.53 1.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.97 1dxx h THR 20 CO 0.04 0.45 0.26 -0.26 -0.25 0.00 0.00 175.52 175.76 1dxx h PHE 21 N 0.86 0.85 -0.45 4.73 -1.00 -1.01 0.31 116.94 121.24 1dxx h PHE 21 Ca 0.13 -0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 1dxx h PHE 21 Cb 0.71 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 1dxx h PHE 21 CO 0.05 0.64 0.07 1.15 -1.61 0.00 0.00 178.31 178.61 1dxx h THR 22 N 0.84 1.25 -0.78 -1.55 2.02 -1.14 -0.39 112.91 113.16 1dxx h THR 22 Ca 0.20 -0.90 0.02 0.00 0.77 0.00 0.00 66.41 66.51 1dxx h THR 22 Cb 0.13 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1dxx h THR 22 CO -0.02 0.31 0.51 0.11 0.37 0.00 0.00 175.52 176.80 1dxx h LYS 23 N 0.60 0.99 0.48 6.66 1.57 0.19 0.25 116.57 127.31 1dxx h LYS 23 Ca 0.14 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1dxx h LYS 23 Cb 0.38 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1dxx h LYS 23 CO 0.01 0.65 -0.23 2.35 -0.57 0.00 0.00 179.45 181.66 1dxx h TRP 24 N 1.02 -0.59 -0.52 -1.35 7.01 -0.21 0.83 115.95 122.14 1dxx h TRP 24 Ca 0.30 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.34 1dxx h TRP 24 Cb -0.05 0.20 -0.05 0.00 -2.10 0.00 0.00 29.16 27.15 1dxx h TRP 24 CO -0.02 -0.35 0.23 0.28 -2.79 0.00 0.00 178.44 175.79 1dxx h VAL 25 N -0.67 0.90 -0.62 2.65 2.07 -0.75 -2.18 116.25 117.65 1dxx h VAL 25 Ca -0.07 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1dxx h VAL 25 Cb 0.51 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1dxx h VAL 25 CO 0.11 0.08 0.22 0.78 0.02 0.00 0.00 177.57 178.78 1dxx h ASN 26 N 0.45 0.85 -0.46 0.57 2.35 -0.24 -1.31 115.58 117.78 1dxx h ASN 26 Ca 0.24 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1dxx h ASN 26 Cb 0.19 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1dxx h ASN 26 CO -0.19 0.78 0.29 0.00 -1.65 0.00 0.00 177.43 176.66 1dxx h ALA 27 N 1.34 1.63 -0.09 -0.83 0.00 -0.24 0.26 119.26 121.33 1dxx h ALA 27 Ca 0.21 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 1dxx h ALA 27 Cb 0.22 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1dxx h ALA 27 CO -0.01 0.33 -0.90 1.96 0.00 0.00 0.00 179.25 180.63 1dxx h GLN 28 N 0.65 0.76 -0.96 0.00 1.08 -0.78 -1.57 115.11 114.29 1dxx h GLN 28 Ca 0.17 -0.70 0.01 0.00 -1.45 0.00 0.00 58.65 56.68 1dxx h GLN 28 Cb -0.04 0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.51 1dxx h GLN 28 CO -0.03 1.29 0.64 0.74 -0.95 0.00 0.00 178.83 180.52 1dxx h PHE 29 N 0.48 1.21 0.08 2.96 0.04 -0.63 -1.13 116.94 119.95 1dxx h PHE 29 Ca -0.09 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.73 1dxx h PHE 29 Cb 1.54 -0.41 -0.04 0.00 2.20 0.00 0.00 35.95 39.24 1dxx h PHE 29 CO 0.09 0.76 -0.24 0.77 -0.60 0.00 0.00 178.31 179.09 1dxx h SER 30 N 1.30 -0.70 -0.42 2.17 0.02 -0.34 0.44 113.55 116.03 1dxx h SER 30 Ca 0.35 0.09 0.12 0.00 -0.84 0.00 0.00 61.79 61.51 1dxx h SER 30 Cb -0.15 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1dxx h SER 30 CO -0.08 -0.33 0.37 0.11 -1.14 0.00 0.00 176.83 175.76 1dxx h LYS 31 N -0.42 0.00 -0.40 3.45 1.57 -0.22 0.10 116.57 120.65 1dxx h LYS 31 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1dxx h LYS 31 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1dxx h LYS 31 CO -0.17 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 179.90 1dxx n PHE 32 N -4.04 0.94 -3.42 -1.35 3.01 -0.54 -4.98 117.46 107.08 1dxx n PHE 32 Ca 0.07 -0.67 -0.15 0.00 1.01 0.00 0.00 57.45 57.71 1dxx n PHE 32 Cb 0.55 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 1dxx n PHE 32 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dxx n GLY 33 N 0.33 -1.15 3.16 1.37 0.00 0.35 -5.00 105.19 104.25 1dxx n GLY 33 Ca 0.19 0.66 -0.11 0.00 0.00 0.00 0.00 46.02 46.76 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 -3.80 0.82 0.66 1.61 1.02 0.13 -4.99 119.74 115.19 1dxx s LYS 34 Ca 0.06 -1.28 -0.18 0.00 0.02 0.00 0.00 55.97 54.59 1dxx s LYS 34 Cb -0.01 -0.24 -0.01 0.00 -0.52 0.00 0.00 37.83 37.05 1dxx s LYS 34 CO 0.83 -0.00 1.17 0.94 -0.92 0.00 0.00 175.35 177.37 1dxx n GLN 35 N 0.11 0.94 -2.35 1.68 7.27 -1.26 -4.29 117.38 119.48 1dxx n GLN 35 Ca -0.13 0.38 -0.28 0.00 0.07 0.00 0.00 57.00 57.04 1dxx n GLN 35 Cb 0.60 -2.41 0.02 0.00 2.41 0.00 0.00 30.24 30.86 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 -1.50 3.41 0.27 3.69 3.76 -1.26 -4.88 115.29 118.79 1dxx s HIS 36 Ca 0.80 0.83 0.08 0.00 -0.15 0.00 0.00 55.06 56.61 1dxx s HIS 36 Cb -0.38 -2.63 -0.04 0.00 1.11 0.00 0.00 32.58 30.65 1dxx s HIS 36 CO 0.43 -0.66 0.18 0.96 -0.85 0.00 0.00 174.74 174.80 1dxx s ILE 37 N -2.97 4.07 -0.07 0.60 -4.36 -1.26 -5.06 121.20 112.15 1dxx s ILE 37 Ca 0.52 -1.49 -0.01 0.00 -0.26 0.00 0.00 60.65 59.42 1dxx s ILE 37 Cb -0.11 -3.26 -0.04 0.00 1.25 0.00 0.00 42.46 40.31 1dxx s ILE 37 CO 0.47 -0.32 -0.07 -0.62 0.24 0.00 0.00 174.94 174.65 1dxx n GLU 38 N -1.17 0.16 -3.91 0.37 -0.58 -1.26 -4.97 120.64 109.29 1dxx n GLU 38 Ca -0.06 0.05 -0.35 0.00 -0.42 0.00 0.00 57.16 56.37 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 -4.96 4.50 0.54 1.62 2.47 -1.26 -4.96 114.94 112.89 1dxx s ASN 39 Ca -0.09 -0.77 0.31 0.00 0.42 0.00 0.00 52.86 52.72 1dxx s ASN 39 Cb 0.03 -1.72 1.52 0.00 -1.45 0.00 0.00 41.25 39.62 1dxx s ASN 39 CO 0.14 -0.13 2.07 0.25 -3.72 0.00 0.00 177.10 175.72 1dxx h LEU 40 N 8.08 0.00 -0.20 3.21 5.85 -1.93 0.88 115.31 131.20 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 1.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1dxx h LEU 40 CO 0.58 0.09 -0.23 0.49 -0.34 0.00 0.00 178.44 179.03 1dxx n PHE 41 N -3.43 0.00 0.00 1.25 3.72 -1.26 -4.31 117.46 113.42 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 0.25 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 -1.11 1.61 0.00 4.37 3.41 -1.05 -4.76 113.62 116.09 1dxx n SER 42 Ca 0.10 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.77 1dxx n SER 42 Cb 0.32 0.22 0.24 0.00 -0.26 0.00 0.00 64.21 64.73 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 -0.78 0.00 -0.45 4.04 8.00 0.28 -1.79 116.55 125.84 1dxx n ASP 43 Ca 0.00 0.39 0.09 0.00 0.71 0.00 0.00 54.79 55.98 1dxx n ASP 43 Cb 0.10 -0.43 0.01 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.43 1.86 -0.03 0.64 4.77 -1.26 -4.68 117.00 116.87 1dxx n LEU 44 Ca 0.03 -0.79 0.03 0.00 -0.03 0.00 0.00 56.01 55.26 1dxx n LEU 44 Cb 0.11 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.59 1dxx n LEU 44 CO 0.09 0.35 1.14 1.56 -1.33 0.00 0.00 177.39 179.20 1dxx h GLN 45 N 2.21 0.59 -0.00 3.23 4.20 -1.57 -2.93 115.11 120.85 1dxx h GLN 45 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1dxx h GLN 45 Cb 0.64 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1dxx h GLN 45 CO 0.00 0.42 -0.39 -0.40 -0.67 0.00 0.00 178.83 177.79 1dxx n ASP 46 N -4.44 0.67 0.00 1.46 5.68 -1.26 -4.30 116.55 114.35 1dxx n ASP 46 Ca 0.03 -0.47 0.00 0.00 -0.50 0.00 0.00 54.79 53.86 1dxx n ASP 46 Cb 0.08 0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 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 1.44 1.59 0.05 6.12 0.00 -1.11 -4.08 105.19 109.20 1dxx n GLY 47 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 3.02 0.02 -0.63 1.61 3.08 -1.91 -2.70 114.38 116.88 1dxx h ARG 48 Ca 0.00 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1dxx h ARG 48 Cb 0.00 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1dxx h ARG 48 CO 0.00 0.23 0.14 0.00 -1.07 0.00 0.00 179.97 179.27 1dxx h ARG 49 N -0.20 0.99 -0.20 0.04 2.47 -1.90 -1.31 114.38 114.27 1dxx h ARG 49 Ca 0.00 -0.23 0.01 0.00 -1.26 0.00 0.00 59.98 58.51 1dxx h ARG 49 Cb 0.22 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 1dxx h ARG 49 CO -0.00 0.89 0.09 -0.07 0.56 0.00 0.00 179.97 181.44 1dxx h LEU 50 N 0.94 0.12 -0.34 3.04 3.38 -1.85 0.29 115.31 120.89 1dxx h LEU 50 Ca 0.20 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.24 1dxx h LEU 50 Cb 0.35 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 1dxx h LEU 50 CO 0.00 0.10 -0.03 -0.07 0.09 0.00 0.00 178.44 178.54 1dxx h LEU 51 N 0.20 -0.19 -1.28 1.67 3.38 -1.08 -0.69 115.31 117.31 1dxx h LEU 51 Ca 0.08 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.20 1dxx h LEU 51 Cb 0.03 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1dxx h LEU 51 CO -0.07 -0.06 0.52 0.44 0.09 0.00 0.00 178.44 179.36 1dxx h ASP 52 N 0.06 0.77 -0.28 -0.43 3.32 -0.56 0.53 116.42 119.83 1dxx h ASP 52 Ca 0.17 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 1dxx h ASP 52 Cb 0.24 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1dxx h ASP 52 CO -0.30 0.50 -0.17 0.25 -1.72 0.00 0.00 179.24 177.80 1dxx h LEU 53 N 0.88 0.73 -1.22 1.55 5.85 0.92 -2.82 115.31 121.21 1dxx h LEU 53 Ca 0.34 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1dxx h LEU 53 Cb 0.20 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1dxx h LEU 53 CO -0.11 0.90 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.59 1dxx h LEU 54 N 0.65 0.24 0.82 2.25 3.38 0.22 -1.71 115.31 121.16 1dxx h LEU 54 Ca 0.10 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1dxx h LEU 54 Cb 0.65 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1dxx h LEU 54 CO 0.05 0.49 -0.44 -0.33 0.09 0.00 0.00 178.44 178.29 1dxx h GLU 55 N 0.23 -1.12 -0.37 1.13 5.08 -0.71 0.46 114.58 119.28 1dxx h GLU 55 Ca 0.04 0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1dxx h GLU 55 Cb 0.54 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1dxx h GLU 55 CO 0.04 -0.75 0.25 0.78 -1.00 0.00 0.00 179.01 178.33 1dxx h GLY 56 N -1.16 0.49 0.47 -3.84 0.00 -1.41 0.20 103.07 97.82 1dxx h GLY 56 Ca -0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1dxx h GLY 56 CO 0.15 0.17 -0.11 1.41 0.00 0.00 0.00 176.54 178.15 1dxx h LEU 57 N 0.46 -0.27 0.14 3.11 3.38 -0.83 -3.39 115.31 117.91 1dxx h LEU 57 Ca 0.14 -0.26 -0.30 0.00 0.09 0.00 0.00 57.88 57.55 1dxx h LEU 57 Cb 0.02 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1dxx h LEU 57 CO -0.03 0.21 -1.47 0.71 0.09 0.00 0.00 178.44 177.95 1dxx h THR 58 N -0.85 1.23 0.00 0.22 1.35 0.25 -3.49 112.91 111.62 1dxx h THR 58 Ca -0.03 -2.83 0.00 0.00 -0.55 0.00 0.00 66.41 62.99 1dxx h THR 58 Cb 0.51 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 1dxx h THR 58 CO 0.05 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.77 1dxx n GLY 59 N 1.65 3.29 3.70 5.82 0.00 0.03 -5.06 105.19 114.62 1dxx n GLY 59 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.69 0.84 -0.19 1.61 -0.21 -1.26 -5.01 119.66 114.75 1dxx s GLN 60 Ca 0.00 0.61 -0.04 0.00 0.02 0.00 0.00 55.36 55.95 1dxx s GLN 60 Cb 0.00 -1.78 -0.02 0.00 1.00 0.00 0.00 33.01 32.21 1dxx s GLN 60 CO 0.00 -2.48 -0.04 -1.59 -2.12 0.00 0.00 175.29 169.07 1dxx s LYS 61 N -4.99 3.52 -0.49 2.91 0.00 -1.26 -4.60 119.74 114.83 1dxx s LYS 61 Ca 0.64 -0.58 0.01 0.00 0.00 0.00 0.00 55.97 56.05 1dxx s LYS 61 Cb -0.18 -2.97 0.13 0.00 0.00 0.00 0.00 37.83 34.81 1dxx s LYS 61 CO 0.57 0.00 0.25 -0.51 0.00 0.00 0.00 175.35 175.67 1dxx s LEU 62 N 0.98 4.83 0.27 2.77 1.43 -1.26 -5.07 118.68 122.63 1dxx s LEU 62 Ca 0.00 -2.61 -0.30 0.00 -1.03 0.00 0.00 54.13 50.20 1dxx s LEU 62 Cb -0.15 -1.73 -0.13 0.00 0.03 0.00 0.00 46.19 44.21 1dxx s LEU 62 CO 0.01 -0.36 1.28 -2.65 0.23 0.00 0.00 176.35 174.86 1dxx n PRO 63 N 3.73 1.88 -4.77 1.29 -0.02 -1.26 -4.93 135.00 130.92 1dxx n PRO 63 Ca 0.04 0.66 -0.32 0.00 -2.02 0.00 0.00 63.50 61.86 1dxx n PRO 63 Cb 0.37 -2.23 -0.12 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.07 2.45 0.50 -0.52 -2.85 -1.26 -5.04 119.74 111.96 1dxx s LYS 64 Ca 0.63 -0.74 -0.19 0.00 -1.00 0.00 0.00 55.97 54.67 1dxx s LYS 64 Cb -0.65 -2.38 -0.08 0.00 -2.06 0.00 0.00 37.83 32.66 1dxx s LYS 64 CO 0.56 0.61 1.02 -1.21 0.10 0.00 0.00 175.35 176.42 1dxx s GLU 65 N -0.96 3.82 0.00 1.78 2.02 -1.26 -5.03 118.70 119.07 1dxx s GLU 65 Ca 0.13 1.22 0.00 0.00 0.02 0.00 0.00 54.97 56.34 1dxx s GLU 65 Cb -0.11 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.02 1dxx s GLU 65 CO 0.02 -0.40 0.00 1.63 0.02 0.00 0.00 175.26 176.54 1dxx n LYS 66 N -1.19 0.00 -0.92 1.61 4.76 -1.26 -4.96 118.16 116.19 1dxx n LYS 66 Ca 0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1dxx n LYS 66 Cb 0.53 -0.43 0.00 0.00 -1.84 0.00 0.00 35.03 33.29 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 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.36 0.95 -4.85 1.61 3.41 -1.26 -4.90 113.62 108.21 1dxx n SER 68 Ca 0.00 -0.47 -0.36 0.00 -0.26 0.00 0.00 58.87 57.78 1dxx n SER 68 Cb 0.00 1.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.93 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 -1.53 4.99 0.19 6.66 2.01 -1.26 -4.98 115.64 121.72 1dxx s THR 69 Ca 0.01 0.69 -0.16 0.00 0.31 0.00 0.00 61.69 62.54 1dxx s THR 69 Cb 0.03 -3.70 0.17 0.00 0.01 0.00 0.00 72.50 69.01 1dxx s THR 69 CO 0.15 0.35 1.64 -0.09 -0.69 0.00 0.00 174.62 175.99 1dxx h ARG 70 N 3.93 -0.03 -0.66 4.92 2.43 -1.99 -1.53 114.38 121.45 1dxx h ARG 70 Ca -0.50 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 58.77 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 0.65 -0.02 -0.45 0.28 -1.51 0.00 0.00 179.97 178.92 1dxx h VAL 71 N -0.03 0.06 -0.84 0.20 2.07 -1.99 0.34 116.25 116.06 1dxx h VAL 71 Ca 0.25 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.80 1dxx h VAL 71 Cb 0.41 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 1dxx h VAL 71 CO -0.55 0.00 0.56 0.45 0.02 0.00 0.00 177.57 178.04 1dxx h HIS 72 N -0.18 1.03 0.07 1.57 3.86 -1.77 -1.44 115.15 118.28 1dxx h HIS 72 Ca 0.19 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.45 1dxx h HIS 72 Cb 0.55 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 1dxx h HIS 72 CO -0.76 0.62 -0.22 0.00 0.86 0.00 0.00 177.93 178.43 1dxx h ALA 73 N 1.50 -0.33 -0.19 2.45 0.00 0.54 -0.65 119.26 122.58 1dxx h ALA 73 Ca 0.32 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1dxx h ALA 73 Cb -0.03 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1dxx h ALA 73 CO -0.09 -0.73 -0.04 -0.07 0.00 0.00 0.00 179.25 178.32 1dxx h LEU 74 N -0.38 0.27 -0.05 0.00 3.38 -0.73 -0.10 115.31 117.69 1dxx h LEU 74 Ca 0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1dxx h LEU 74 Cb 0.43 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1dxx h LEU 74 CO -0.15 0.35 -0.02 0.78 0.09 0.00 0.00 178.44 179.49 1dxx h ASN 75 N 0.28 0.11 -1.00 -0.43 2.35 -0.40 0.16 115.58 116.65 1dxx h ASN 75 Ca 0.06 -0.40 0.20 0.00 -0.55 0.00 0.00 56.30 55.61 1dxx h ASN 75 Cb 0.26 -0.03 -0.11 0.00 0.05 0.00 0.00 38.32 38.49 1dxx h ASN 75 CO 0.01 0.49 0.61 0.78 -1.65 0.00 0.00 177.43 177.67 1dxx h ASN 76 N -0.26 0.77 0.53 5.81 2.35 -0.85 -0.12 115.58 123.81 1dxx h ASN 76 Ca 0.01 0.10 -0.29 0.00 -0.55 0.00 0.00 56.30 55.57 1dxx h ASN 76 Cb 0.44 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1dxx h ASN 76 CO 0.01 0.25 -1.40 0.58 -1.65 0.00 0.00 177.43 175.22 1dxx h VAL 77 N 0.74 1.31 -0.60 2.81 2.07 -0.79 -2.88 116.25 118.90 1dxx h VAL 77 Ca 0.59 -2.91 0.01 0.00 0.82 0.00 0.00 66.70 65.20 1dxx h VAL 77 Cb 0.95 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 33.53 1dxx h VAL 77 CO -0.39 0.85 0.40 0.78 0.02 0.00 0.00 177.57 179.22 1dxx h ASN 78 N 0.07 0.68 -0.26 0.57 2.35 0.00 0.42 115.58 119.40 1dxx h ASN 78 Ca -0.19 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.39 1dxx h ASN 78 Cb 2.00 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 40.19 1dxx h ASN 78 CO 0.18 0.49 -0.39 0.50 -1.65 0.00 0.00 177.43 176.57 1dxx h LYS 79 N 0.80 0.81 -0.10 0.81 1.63 -1.07 0.62 116.57 120.07 1dxx h LYS 79 Ca 0.22 -0.42 -0.14 0.00 -0.85 0.00 0.00 60.65 59.46 1dxx h LYS 79 Cb -0.08 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1dxx h LYS 79 CO -0.05 1.05 -0.56 0.00 -3.45 0.00 0.00 179.45 176.44 1dxx h ALA 80 N 0.90 0.86 -0.30 5.00 0.00 -1.09 -0.33 119.26 124.30 1dxx h ALA 80 Ca 0.06 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 1dxx h ALA 80 Cb 0.95 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1dxx h ALA 80 CO 0.09 0.70 -0.35 -0.07 0.00 0.00 0.00 179.25 179.62 1dxx h LEU 81 N 0.23 0.70 -0.52 0.00 3.38 0.32 0.25 115.31 119.67 1dxx h LEU 81 Ca 0.00 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 1dxx h LEU 81 Cb 1.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1dxx h LEU 81 CO 0.09 0.98 0.10 0.03 0.09 0.00 0.00 178.44 179.74 1dxx h ARG 82 N 0.56 0.84 -0.40 1.13 3.08 -0.47 0.55 114.38 119.67 1dxx h ARG 82 Ca 0.06 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1dxx h ARG 82 Cb 0.86 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1dxx h ARG 82 CO 0.07 0.82 0.26 0.28 -1.07 0.00 0.00 179.97 180.33 1dxx h VAL 83 N 0.73 1.11 -0.29 2.04 2.07 -0.81 0.23 116.25 121.32 1dxx h VAL 83 Ca 0.16 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1dxx h VAL 83 Cb 0.37 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1dxx h VAL 83 CO 0.01 0.11 0.15 -0.07 0.02 0.00 0.00 177.57 177.79 1dxx h LEU 84 N 0.54 0.37 -1.25 2.57 3.38 0.05 -1.70 115.31 119.27 1dxx h LEU 84 Ca 0.15 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.13 1dxx h LEU 84 Cb -0.05 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 1dxx h LEU 84 CO -0.03 0.37 0.57 -0.61 0.09 0.00 0.00 178.44 178.82 1dxx h GLN 85 N 0.35 0.76 0.00 1.13 4.15 0.79 0.82 115.11 123.11 1dxx h GLN 85 Ca 0.10 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.42 1dxx h GLN 85 Cb 0.08 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1dxx h GLN 85 CO -0.02 0.50 -0.28 -0.91 -1.93 0.00 0.00 178.83 176.19 1dxx h ASN 86 N 0.78 0.00 -0.18 -0.69 2.35 0.28 -1.30 115.58 116.81 1dxx h ASN 86 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 1dxx h ASN 86 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1dxx h ASN 86 CO -0.19 0.28 0.00 0.59 -1.65 0.00 0.00 177.43 176.46 1dxx n ASN 87 N -3.66 1.69 -1.10 5.81 3.02 0.20 -4.92 115.26 116.30 1dxx n ASN 87 Ca -0.01 -1.73 -0.10 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 39.44 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 0.35 -3.45 -4.74 6.41 3.02 -0.49 -5.00 115.26 111.36 1dxx n ASN 88 Ca 0.16 0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.32 1dxx n ASN 88 Cb 0.33 -2.62 -0.05 0.00 -0.61 0.00 0.00 39.78 36.83 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 -2.49 4.48 0.15 2.41 1.01 -0.94 -4.98 120.40 120.04 1dxx s VAL 89 Ca 0.00 1.94 -0.32 0.00 0.00 0.00 0.00 61.98 63.60 1dxx s VAL 89 Cb 0.00 -4.26 -0.12 0.00 0.00 0.00 0.00 36.38 32.00 1dxx s VAL 89 CO 0.00 0.37 1.77 -0.67 0.00 0.00 0.00 175.10 176.57 1dxx n ASP 90 N 2.50 3.87 -0.01 3.32 2.03 -1.26 -4.68 116.55 122.32 1dxx n ASP 90 Ca -0.00 1.02 0.00 0.00 0.52 0.00 0.00 54.79 56.33 1dxx n ASP 90 Cb 0.49 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 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 4.82 0.97 -4.64 -2.67 4.77 -1.26 -4.86 117.00 114.12 1dxx n LEU 91 Ca 0.17 -0.99 -0.48 0.00 -0.03 0.00 0.00 56.01 54.68 1dxx n LEU 91 Cb 0.35 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1dxx n LEU 91 CO 0.65 0.25 1.04 0.52 -1.33 0.00 0.00 177.39 178.53 1dxx n VAL 92 N -0.25 0.22 -1.33 4.08 0.31 -1.26 -0.49 118.33 119.61 1dxx n VAL 92 Ca 0.00 -0.06 -0.11 0.00 -0.01 0.00 0.00 64.34 64.16 1dxx n VAL 92 Cb 0.39 -1.27 -0.05 0.00 -0.91 0.00 0.00 33.84 32.00 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 2.85 -4.88 -4.21 4.52 3.02 -1.26 -5.00 115.26 110.31 1dxx n ASN 93 Ca 0.16 0.28 -0.37 0.00 -0.03 0.00 0.00 54.58 54.62 1dxx n ASN 93 Cb 0.26 -3.37 -0.12 0.00 -0.61 0.00 0.00 39.78 35.94 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 -2.25 3.61 0.47 2.41 1.01 0.36 -5.05 121.20 121.77 1dxx s ILE 94 Ca 0.00 -1.55 0.08 0.00 0.00 0.00 0.00 60.65 59.19 1dxx s ILE 94 Cb 0.00 -3.23 0.03 0.00 0.01 0.00 0.00 42.46 39.27 1dxx s ILE 94 CO 0.00 -0.42 0.57 -0.83 0.00 0.00 0.00 174.94 174.26 1dxx s GLY 95 N 1.73 1.98 0.43 6.18 0.00 -1.26 -5.00 107.32 111.37 1dxx s GLY 95 Ca 0.02 -1.81 0.19 0.00 0.00 0.00 0.00 44.72 43.12 1dxx s GLY 95 CO -0.00 -1.64 1.90 1.48 0.00 0.00 0.00 173.10 174.84 1dxx h SER 96 N 0.62 0.00 -0.63 1.64 4.64 -1.94 -2.87 113.55 115.01 1dxx h SER 96 Ca -0.37 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.88 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 0.48 0.28 0.11 0.71 -0.87 0.00 0.00 176.83 177.54 1dxx h THR 97 N 0.00 1.26 -0.90 2.95 1.35 -1.96 0.37 112.91 115.98 1dxx h THR 97 Ca -0.00 -0.99 0.07 0.00 -0.55 0.00 0.00 66.41 64.93 1dxx h THR 97 Cb 0.58 0.69 -0.06 0.00 -1.73 0.00 0.00 68.15 67.63 1dxx h THR 97 CO 0.04 0.37 0.58 0.44 -0.25 0.00 0.00 175.52 176.70 1dxx h ASP 98 N 0.94 0.88 0.16 5.36 3.32 -1.91 0.99 116.42 126.17 1dxx h ASP 98 Ca 0.19 0.01 -0.29 0.00 0.02 0.00 0.00 57.03 56.96 1dxx h ASP 98 Cb 0.41 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.80 1dxx h ASP 98 CO 0.01 0.56 -1.39 0.40 -1.72 0.00 0.00 179.24 177.09 1dxx h ILE 99 N 0.99 1.14 -0.43 0.35 1.08 -1.10 -1.09 117.51 118.46 1dxx h ILE 99 Ca 0.39 -2.50 -0.12 0.00 -0.39 0.00 0.00 64.86 62.24 1dxx h ILE 99 Cb 0.24 2.88 -0.01 0.00 -3.07 0.00 0.00 36.82 36.86 1dxx h ILE 99 CO -0.15 0.76 -0.21 0.58 -0.69 0.00 0.00 178.15 178.45 1dxx h VAL 100 N -0.14 1.28 -0.05 1.67 2.07 0.26 -2.74 116.25 118.59 1dxx h VAL 100 Ca -0.28 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 65.89 1dxx h VAL 100 Cb 1.89 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1dxx h VAL 100 CO 0.14 0.46 0.00 0.47 0.02 0.00 0.00 177.57 178.66 1dxx n ASP 101 N -4.19 0.48 -3.09 0.57 8.00 0.34 -4.85 116.55 113.81 1dxx n ASP 101 Ca -0.01 -2.01 -0.02 0.00 0.71 0.00 0.00 54.79 53.46 1dxx n ASP 101 Cb 0.44 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 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 0.47 -1.24 3.38 0.44 0.00 -1.03 -4.96 105.19 102.23 1dxx n GLY 102 Ca 0.02 0.54 -0.43 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.96 6.02 0.31 1.61 3.84 -0.42 -4.96 114.94 118.39 1dxx s ASN 103 Ca 0.02 -1.27 0.04 0.00 0.21 0.00 0.00 52.86 51.86 1dxx s ASN 103 Cb -0.01 -2.13 0.53 0.00 -0.55 0.00 0.00 41.25 39.09 1dxx s ASN 103 CO 0.76 -0.58 1.81 1.12 -2.79 0.00 0.00 177.10 177.42 1dxx h HIS 104 N 8.65 0.52 0.07 0.43 2.07 -1.93 -0.04 115.15 124.91 1dxx h HIS 104 Ca -0.27 -0.08 -0.00 0.00 -2.85 0.00 0.00 60.37 57.17 1dxx h HIS 104 Cb 1.11 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 30.95 1dxx h HIS 104 CO 0.61 0.59 -0.03 -0.22 -3.07 0.00 0.00 177.93 175.81 1dxx h LYS 105 N 0.45 -0.09 0.00 5.12 3.64 -1.97 0.15 116.57 123.87 1dxx h LYS 105 Ca 0.08 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1dxx h LYS 105 Cb 0.49 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1dxx h LYS 105 CO 0.03 0.12 -0.35 -0.07 -2.27 0.00 0.00 179.45 176.92 1dxx h LEU 106 N -0.29 0.00 -0.17 5.20 3.38 -1.90 0.08 115.31 121.60 1dxx h LEU 106 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1dxx h LEU 106 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1dxx h LEU 106 CO 0.02 0.35 -0.30 0.74 0.09 0.00 0.00 178.44 179.33 1dxx h THR 107 N 0.00 1.35 -0.61 0.22 2.02 -0.74 0.13 112.91 115.28 1dxx h THR 107 Ca -0.00 -1.54 -0.01 0.00 0.77 0.00 0.00 66.41 65.63 1dxx h THR 107 Cb 0.80 1.92 -0.03 0.00 -1.74 0.00 0.00 68.15 69.11 1dxx h THR 107 CO 0.04 0.47 0.34 -0.07 0.37 0.00 0.00 175.52 176.67 1dxx h LEU 108 N 0.15 0.74 -0.51 2.58 3.38 -0.26 -1.99 115.31 119.40 1dxx h LEU 108 Ca 0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1dxx h LEU 108 Cb 0.89 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1dxx h LEU 108 CO 0.07 0.59 0.25 1.23 0.09 0.00 0.00 178.44 180.67 1dxx h GLY 109 N 0.90 0.79 0.92 0.83 0.00 -0.66 0.13 103.07 105.99 1dxx h GLY 109 Ca 0.22 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1dxx h GLY 109 CO -0.04 0.37 -0.13 -2.00 0.00 0.00 0.00 176.54 174.74 1dxx h LEU 110 N 0.69 -0.31 -0.86 3.11 5.85 -0.46 0.24 115.31 123.57 1dxx h LEU 110 Ca 0.18 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1dxx h LEU 110 Cb 0.11 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1dxx h LEU 110 CO -0.02 -0.15 0.57 0.40 -0.34 0.00 0.00 178.44 178.89 1dxx h ILE 111 N -0.45 1.22 -0.56 4.05 1.08 -1.23 -0.06 117.51 121.56 1dxx h ILE 111 Ca -0.04 -0.40 0.02 0.00 -0.39 0.00 0.00 64.86 64.05 1dxx h ILE 111 Cb 0.34 -0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.02 1dxx h ILE 111 CO 0.06 0.21 0.35 -0.25 -0.69 0.00 0.00 178.15 177.84 1dxx h TRP 112 N 1.16 0.66 -0.47 1.37 -0.00 -0.32 -0.60 115.95 117.75 1dxx h TRP 112 Ca 0.31 0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 59.18 1dxx h TRP 112 Cb -0.13 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 28.79 1dxx h TRP 112 CO -0.01 0.39 0.10 -0.91 -0.00 0.00 0.00 178.44 178.01 1dxx h ASN 113 N 0.70 0.66 -0.49 2.65 2.35 0.11 0.97 115.58 122.52 1dxx h ASN 113 Ca 0.22 -0.11 -0.13 0.00 -0.55 0.00 0.00 56.30 55.73 1dxx h ASN 113 Cb -0.01 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1dxx h ASN 113 CO -0.08 0.66 -0.18 0.40 -1.65 0.00 0.00 177.43 176.58 1dxx h ILE 114 N 0.68 1.27 -0.35 2.81 2.04 -0.61 -1.16 117.51 122.19 1dxx h ILE 114 Ca 0.15 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 1dxx h ILE 114 Cb 0.28 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1dxx h ILE 114 CO -0.00 0.47 0.14 0.40 0.00 0.00 0.00 178.15 179.16 1dxx h ILE 115 N 0.87 1.19 -0.24 -0.67 2.04 -0.51 -1.44 117.51 118.76 1dxx h ILE 115 Ca 0.12 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.42 1dxx h ILE 115 Cb 0.75 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1dxx h ILE 115 CO 0.06 0.21 0.10 0.25 0.00 0.00 0.00 178.15 178.76 1dxx h LEU 116 N 0.42 0.13 0.35 1.44 5.85 -0.72 0.24 115.31 123.02 1dxx h LEU 116 Ca 0.12 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1dxx h LEU 116 Cb 0.19 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1dxx h LEU 116 CO -0.01 0.11 -0.35 -0.74 -0.34 0.00 0.00 178.44 177.11 1dxx h HIS 117 N 0.22 -0.97 -0.02 1.25 2.76 -1.06 0.22 115.15 117.54 1dxx h HIS 117 Ca 0.10 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1dxx h HIS 117 Cb 0.05 0.38 0.00 0.00 1.55 0.00 0.00 27.41 29.39 1dxx h HIS 117 CO -0.11 -0.46 0.00 0.91 -1.30 0.00 0.00 177.93 176.97 1dxx n TRP 118 N -4.50 0.02 0.00 5.26 8.01 -0.56 -4.26 117.44 121.41 1dxx n TRP 118 Ca -0.08 -0.01 0.00 0.00 -1.31 0.00 0.00 57.50 56.10 1dxx n TRP 118 Cb 0.32 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.62 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 -0.27 -0.99 7.27 0.03 -4.84 117.38 118.38 1dxx n GLN 119 Ca 0.20 0.00 0.18 0.00 0.07 0.00 0.00 57.00 57.45 1dxx n GLN 119 Cb 0.27 0.00 0.47 0.00 2.41 0.00 0.00 30.24 33.39 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 0.69 -0.23 1.69 2.07 -1.42 0.69 116.25 119.74 1dxx h VAL 120 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1dxx h VAL 120 Cb 0.00 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1dxx h VAL 120 CO 0.00 0.09 0.00 0.29 0.02 0.00 0.00 177.57 177.97 1dxx n LYS 121 N -4.56 1.95 0.16 1.57 5.02 0.75 -3.27 118.16 119.79 1dxx n LYS 121 Ca 0.20 -1.00 0.08 0.00 -2.02 0.00 0.00 58.31 55.57 1dxx n LYS 121 Cb 0.67 -1.47 0.08 0.00 -0.02 0.00 0.00 35.03 34.29 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 1.45 0.00 0.30 4.39 2.35 0.14 -2.86 115.58 121.36 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 0.66 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 1dxx h ASN 122 CO 0.08 0.18 -0.45 0.58 -1.65 0.00 0.00 177.43 176.17 1dxx h VAL 123 N 0.00 0.11 -0.22 2.81 2.07 -1.70 0.36 116.25 119.68 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 1.15 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1dxx h VAL 123 CO 0.02 0.00 -0.03 -0.03 0.02 0.00 0.00 177.57 177.55 1dxx h MET 124 N -0.81 0.33 -0.19 1.57 1.85 -1.81 -2.39 114.93 113.49 1dxx h MET 124 Ca -0.02 -0.06 -0.16 0.00 -0.61 0.00 0.00 59.70 58.85 1dxx h MET 124 Cb 0.76 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.73 1dxx h MET 124 CO -0.15 0.38 -0.54 0.87 -0.40 0.00 0.00 176.91 177.07 1dxx h LYS 125 N 0.32 0.56 -0.06 0.39 1.57 -1.10 -2.70 116.57 115.55 1dxx h LYS 125 Ca 0.07 -0.35 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 1dxx h LYS 125 Cb 0.26 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1dxx h LYS 125 CO 0.01 0.96 -0.45 -0.91 -0.57 0.00 0.00 179.45 178.49 1dxx h ASN 126 N 0.43 0.13 0.47 0.86 4.21 0.11 -2.03 115.58 119.77 1dxx h ASN 126 Ca 0.01 -0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.44 1dxx h ASN 126 Cb 1.09 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 1dxx h ASN 126 CO 0.10 0.57 -0.23 0.40 -1.29 0.00 0.00 177.43 176.98 1dxx h ILE 127 N 0.11 0.44 -1.00 2.81 1.08 -1.41 -1.73 117.51 117.81 1dxx h ILE 127 Ca 0.01 -0.41 0.15 0.00 -0.39 0.00 0.00 64.86 64.21 1dxx h ILE 127 Cb 0.83 0.60 -0.09 0.00 -3.07 0.00 0.00 36.82 35.09 1dxx h ILE 127 CO 0.06 0.06 0.61 0.24 -0.69 0.00 0.00 178.15 178.44 1dxx h MET 128 N -0.91 0.86 0.00 2.37 2.86 -1.45 0.52 114.93 119.18 1dxx h MET 128 Ca -0.06 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1dxx h MET 128 Cb 0.58 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1dxx h MET 128 CO 0.11 0.57 -0.07 0.00 1.06 0.00 0.00 176.91 178.57 1dxx h ALA 129 N 1.59 1.36 0.01 6.32 0.00 -1.29 -2.71 119.26 124.54 1dxx h ALA 129 Ca 0.53 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1dxx h ALA 129 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1dxx h ALA 129 CO -0.32 0.09 -0.10 0.78 0.00 0.00 0.00 179.25 179.70 1dxx h GLY 130 N 0.52 0.06 -0.86 0.00 0.00 0.94 -3.27 103.07 100.46 1dxx h GLY 130 Ca -0.00 -0.12 0.28 0.00 0.00 0.00 0.00 47.33 47.49 1dxx h GLY 130 CO 0.01 0.10 0.11 1.41 0.00 0.00 0.00 176.54 178.17 1dxx h LEU 131 N -0.81 -0.32 -2.28 3.11 3.38 -1.06 0.24 115.31 117.56 1dxx h LEU 131 Ca -0.02 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1dxx h LEU 131 Cb 0.98 0.43 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1dxx h LEU 131 CO 0.02 -0.33 0.00 1.56 0.09 0.00 0.00 178.44 179.78 1dxx h GLN 132 N 0.04 0.00 -0.06 1.13 1.08 -1.53 0.12 115.11 115.89 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 1.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 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 -2.98 1.76 -4.95 1.46 0.00 0.82 -4.91 117.38 108.58 1dxx n GLN 133 Ca -0.02 -1.11 -0.29 0.00 -0.00 0.00 0.00 57.00 55.58 1dxx n GLN 133 Cb 0.15 -1.46 -0.15 0.00 0.00 0.00 0.00 30.24 28.78 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 -1.93 1.98 0.54 1.69 -1.32 0.43 -5.13 115.64 111.90 1dxx s THR 134 Ca 0.36 -1.25 0.09 0.00 -1.21 0.00 0.00 61.69 59.68 1dxx s THR 134 Cb 0.20 -1.68 0.07 0.00 -1.51 0.00 0.00 72.50 69.58 1dxx s THR 134 CO 0.31 0.39 0.72 0.54 -2.21 0.00 0.00 174.62 174.37 1dxx s ASN 135 N -1.03 5.20 0.15 8.08 4.22 -1.26 -4.92 114.94 125.37 1dxx s ASN 135 Ca 0.10 -0.78 -0.11 0.00 -2.14 0.00 0.00 52.86 49.94 1dxx s ASN 135 Cb -0.10 0.09 -0.01 0.00 1.28 0.00 0.00 41.25 42.52 1dxx s ASN 135 CO 0.01 -1.20 1.53 0.28 -2.04 0.00 0.00 177.10 175.68 1dxx h SER 136 N 0.31 0.99 -0.11 3.54 0.02 -1.99 -2.43 113.55 113.88 1dxx h SER 136 Ca -0.32 -0.40 0.05 0.00 -0.84 0.00 0.00 61.79 60.27 1dxx h SER 136 Cb 1.29 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 63.49 1dxx h SER 136 CO 0.43 1.18 -0.29 -0.08 -1.14 0.00 0.00 176.83 176.92 1dxx h GLU 137 N 0.80 -0.36 -0.70 3.45 4.81 -1.98 0.34 114.58 120.94 1dxx h GLU 137 Ca 0.10 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1dxx h GLU 137 Cb 0.80 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 1dxx h GLU 137 CO 0.07 -0.24 0.24 0.87 -0.73 0.00 0.00 179.01 179.22 1dxx h LYS 138 N -0.38 1.06 -0.42 1.92 6.56 -1.97 0.23 116.57 123.57 1dxx h LYS 138 Ca 0.09 -0.20 -0.05 0.00 -1.06 0.00 0.00 60.65 59.42 1dxx h LYS 138 Cb 0.52 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.99 1dxx h LYS 138 CO -0.32 0.89 0.05 0.82 -2.06 0.00 0.00 179.45 178.83 1dxx h ILE 139 N 1.03 1.25 -0.01 1.86 2.04 -0.65 -1.74 117.51 121.29 1dxx h ILE 139 Ca 0.23 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.19 1dxx h ILE 139 Cb 0.25 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1dxx h ILE 139 CO -0.01 0.32 -0.10 0.25 0.00 0.00 0.00 178.15 178.60 1dxx h LEU 140 N 0.57 -0.29 -0.40 1.44 5.85 0.47 0.36 115.31 123.30 1dxx h LEU 140 Ca 0.13 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.97 1dxx h LEU 140 Cb 0.40 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 1dxx h LEU 140 CO 0.01 -0.14 -0.08 0.25 -0.34 0.00 0.00 178.44 178.14 1dxx h LEU 141 N -0.17 -0.33 -0.45 2.25 5.85 -0.44 0.14 115.31 122.17 1dxx h LEU 141 Ca 0.04 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1dxx h LEU 141 Cb 0.22 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1dxx h LEU 141 CO -0.11 -0.12 0.25 0.28 -0.34 0.00 0.00 178.44 178.40 1dxx h SER 142 N 0.02 0.38 -0.99 1.25 0.02 -0.69 -0.82 113.55 112.72 1dxx h SER 142 Ca 0.20 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1dxx h SER 142 Cb 0.30 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 1dxx h SER 142 CO -0.40 0.27 0.66 -0.25 -1.14 0.00 0.00 176.83 175.97 1dxx h TRP 143 N 0.50 1.23 0.07 3.45 7.01 0.32 0.63 115.95 129.17 1dxx h TRP 143 Ca 0.19 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.21 1dxx h TRP 143 Cb 0.06 -0.41 0.00 0.00 -2.10 0.00 0.00 29.16 26.70 1dxx h TRP 143 CO -0.08 0.74 -0.04 0.28 -2.79 0.00 0.00 178.44 176.55 1dxx h VAL 144 N 1.30 1.01 -0.31 2.65 2.07 0.63 0.99 116.25 124.59 1dxx h VAL 144 Ca 0.38 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.65 1dxx h VAL 144 Cb -0.08 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1dxx h VAL 144 CO -0.10 0.07 0.10 0.03 0.02 0.00 0.00 177.57 177.69 1dxx h ARG 145 N -0.23 0.23 -0.01 1.57 3.08 -1.20 0.27 114.38 118.09 1dxx h ARG 145 Ca -0.01 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1dxx h ARG 145 Cb 0.19 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1dxx h ARG 145 CO 0.02 0.15 0.00 1.96 -1.07 0.00 0.00 179.97 181.03 1dxx h GLN 146 N 0.24 0.02 -0.96 0.04 4.20 -0.69 -1.00 115.11 116.96 1dxx h GLN 146 Ca 0.14 -0.00 0.17 0.00 0.06 0.00 0.00 58.65 59.02 1dxx h GLN 146 Cb 0.11 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.80 1dxx h GLN 146 CO -0.14 0.25 0.61 0.77 -0.67 0.00 0.00 178.83 179.64 1dxx h SER 147 N -0.22 0.70 -0.69 1.46 0.02 -0.44 -2.59 113.55 111.79 1dxx h SER 147 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1dxx h SER 147 Cb 0.24 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1dxx h SER 147 CO 0.00 0.30 0.00 0.35 -1.14 0.00 0.00 176.83 176.34 1dxx n THR 148 N -4.64 1.54 -0.20 -2.27 -2.24 0.90 -4.61 114.28 102.77 1dxx n THR 148 Ca 0.21 -1.11 0.14 0.00 -2.27 0.00 0.00 64.05 61.01 1dxx n THR 148 Cb 0.55 0.25 0.46 0.00 -2.10 0.00 0.00 70.33 69.48 1dxx n THR 148 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1dxx h ARG 149 N 4.20 0.51 -0.62 -0.78 3.08 -0.77 -2.14 114.38 117.85 1dxx h ARG 149 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1dxx h ARG 149 Cb 1.30 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1dxx h ARG 149 CO 0.16 0.33 0.00 0.09 -1.07 0.00 0.00 179.97 179.48 1dxx n ASN 150 N -4.50 2.90 -4.04 7.04 3.02 -1.26 -4.69 115.26 113.72 1dxx n ASN 150 Ca 0.15 -2.28 -0.34 0.00 -0.03 0.00 0.00 54.58 52.08 1dxx n ASN 150 Cb 0.49 -0.46 -0.12 0.00 -0.61 0.00 0.00 39.78 39.08 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 3.41 0.35 3.10 1.51 -0.81 -4.99 117.35 118.19 1dxx s TYR 151 Ca 0.28 -2.86 0.38 0.00 -1.01 0.00 0.00 57.07 53.86 1dxx s TYR 151 Cb 0.18 -3.05 1.92 0.00 -0.11 0.00 0.00 41.96 40.91 1dxx s TYR 151 CO 0.12 -0.84 2.15 -1.00 -1.11 0.00 0.00 175.55 174.87 1dxx h PRO 152 N 7.10 0.00 0.00 -1.71 0.13 -1.83 -1.81 132.00 133.87 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 0.68 0.00 -0.14 1.04 -0.23 0.00 0.00 178.00 179.35 1dxx n GLN 153 N -2.96 0.08 -4.27 0.86 3.00 -1.26 -4.79 117.38 108.03 1dxx n GLN 153 Ca -0.01 0.05 -0.34 0.00 -0.01 0.00 0.00 57.00 56.68 1dxx n GLN 153 Cb 0.15 -1.58 -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 -0.68 -4.92 120.40 121.77 1dxx s VAL 154 Ca 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1dxx s VAL 154 Cb 0.17 -2.87 0.13 0.00 0.00 0.00 0.00 36.38 33.81 1dxx s VAL 154 CO 0.59 0.50 0.20 0.21 0.00 0.00 0.00 175.10 176.60 1dxx s ASN 155 N 0.19 3.01 -0.24 3.32 3.04 -1.26 -4.87 114.94 118.13 1dxx s ASN 155 Ca 0.00 -1.94 -0.26 0.00 0.04 0.00 0.00 52.86 50.71 1dxx s ASN 155 Cb -0.13 -0.34 -0.00 0.00 -1.54 0.00 0.00 41.25 39.24 1dxx s ASN 155 CO 0.02 -0.34 0.88 -0.69 -3.04 0.00 0.00 177.10 173.93 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 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.80 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 0.46 2.30 0.00 0.00 0.00 175.10 177.67 1dxx n ILE 157 N 5.29 0.18 -3.84 2.22 -5.35 -1.26 -4.81 119.36 111.79 1dxx n ILE 157 Ca 0.07 -0.40 -0.10 0.00 -0.27 0.00 0.00 62.75 62.05 1dxx n ILE 157 Cb 0.47 1.18 0.01 0.00 -1.74 0.00 0.00 39.64 39.56 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 -0.09 -1.97 -1.28 7.28 0.23 -1.26 -5.01 115.26 113.16 1dxx n ASN 158 Ca 0.00 -2.61 -0.00 0.00 -0.53 0.00 0.00 54.58 51.44 1dxx n ASN 158 Cb 0.17 3.35 0.25 0.00 -2.08 0.00 0.00 39.78 41.46 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 -0.53 1.42 0.00 -2.53 3.72 -1.26 -4.48 117.46 113.81 1dxx n PHE 159 Ca -0.06 -1.22 0.00 0.00 -0.05 0.00 0.00 57.45 56.12 1dxx n PHE 159 Cb 0.57 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 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 -0.66 0.00 0.33 4.37 -2.24 -1.26 -4.17 114.28 110.65 1dxx n THR 160 Ca 0.31 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.27 1dxx n THR 160 Cb 1.08 0.00 0.95 0.00 -2.10 0.00 0.00 70.33 70.27 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 0.02 0.00 4.28 1.35 -1.89 -1.27 112.91 115.41 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 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 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 -3.00 0.00 -0.12 5.36 7.64 -1.26 -2.82 113.62 119.43 1dxx n SER 162 Ca -0.02 -0.01 0.02 0.00 1.01 0.00 0.00 58.87 59.87 1dxx n SER 162 Cb 0.28 -0.19 0.01 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.19 0.00 0.01 1.43 7.02 -0.48 -4.66 117.44 119.58 1dxx n TRP 163 Ca 0.06 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.43 1dxx n TRP 163 Cb 0.06 0.00 -0.05 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 0.58 -0.18 0.00 -0.99 0.02 -1.67 -1.99 113.55 109.32 1dxx h SER 164 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1dxx h SER 164 Cb 0.15 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1dxx h SER 164 CO 0.00 -0.08 0.00 -0.90 -1.14 0.00 0.00 176.83 174.71 1dxx n ASP 165 N -5.18 0.00 0.00 3.07 5.68 -1.26 -4.39 116.55 114.47 1dxx n ASP 165 Ca -0.05 -0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 1dxx n ASP 165 Cb 0.11 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 -0.90 2.36 0.07 6.12 0.00 -0.75 -4.63 105.19 107.46 1dxx n GLY 166 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 57.63 1dxx h LEU 167 Cb 0.00 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1dxx h LEU 167 CO 0.00 0.41 0.30 0.00 0.09 0.00 0.00 178.44 179.24 1dxx h ALA 168 N 0.44 0.86 -0.40 1.53 0.00 -1.89 1.29 119.26 121.10 1dxx h ALA 168 Ca -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1dxx h ALA 168 Cb 0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1dxx h ALA 168 CO 0.01 -0.10 0.23 1.25 0.00 0.00 0.00 179.25 180.64 1dxx h LEU 169 N 0.53 0.50 -0.11 0.00 5.85 -1.88 0.43 115.31 120.62 1dxx h LEU 169 Ca 0.31 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1dxx h LEU 169 Cb 0.33 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1dxx h LEU 169 CO -0.26 0.44 -0.06 0.78 -0.34 0.00 0.00 178.44 179.00 1dxx h ASN 170 N 0.52 0.24 -0.60 1.25 2.35 -1.06 -2.63 115.58 115.65 1dxx h ASN 170 Ca 0.14 -0.42 0.12 0.00 -0.55 0.00 0.00 56.30 55.59 1dxx h ASN 170 Cb 0.04 -0.07 -0.09 0.00 0.05 0.00 0.00 38.32 38.26 1dxx h ASN 170 CO -0.02 0.61 0.08 0.00 -1.65 0.00 0.00 177.43 176.45 1dxx h ALA 171 N 0.64 0.67 -0.75 -0.83 0.00 0.17 0.01 119.26 119.17 1dxx h ALA 171 Ca 0.02 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1dxx h ALA 171 Cb 0.52 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1dxx h ALA 171 CO 0.02 -0.34 0.49 1.25 0.00 0.00 0.00 179.25 180.66 1dxx h LEU 172 N 0.20 0.82 -0.53 0.00 5.85 -0.81 0.30 115.31 121.14 1dxx h LEU 172 Ca 0.31 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.88 1dxx h LEU 172 Cb 0.49 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1dxx h LEU 172 CO -0.44 0.58 -0.32 0.40 -0.34 0.00 0.00 178.44 178.32 1dxx h ILE 173 N 0.97 1.28 -0.51 4.05 2.04 -0.84 -3.22 117.51 121.28 1dxx h ILE 173 Ca 0.29 -1.48 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 1dxx h ILE 173 Cb -0.04 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1dxx h ILE 173 CO -0.09 0.49 0.26 -0.74 0.00 0.00 0.00 178.15 178.07 1dxx h HIS 174 N 0.71 0.72 -0.82 1.37 2.76 -0.20 0.30 115.15 120.00 1dxx h HIS 174 Ca 0.07 -0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.30 1dxx h HIS 174 Cb 0.88 -0.23 -0.06 0.00 1.55 0.00 0.00 27.41 29.56 1dxx h HIS 174 CO 0.05 0.55 0.53 0.66 -1.30 0.00 0.00 177.93 178.43 1dxx h SER 175 N 0.68 0.74 0.34 3.26 4.64 -0.49 -1.85 113.55 120.87 1dxx h SER 175 Ca 0.18 0.01 -0.32 0.00 -0.47 0.00 0.00 61.79 61.19 1dxx h SER 175 Cb 0.09 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 1dxx h SER 175 CO -0.02 0.45 -1.77 0.45 -0.87 0.00 0.00 176.83 175.07 1dxx h HIS 176 N 0.82 0.31 -2.52 4.77 3.86 -1.34 -3.42 115.15 117.63 1dxx h HIS 176 Ca 0.37 -0.22 -0.60 0.00 -1.16 0.00 0.00 60.37 58.76 1dxx h HIS 176 Cb 0.35 -0.01 -0.41 0.00 1.06 0.00 0.00 27.41 28.40 1dxx h HIS 176 CO -0.00 1.41 -0.74 0.54 0.86 0.00 0.00 177.93 180.00 1dxx n ARG 177 N -3.32 1.54 0.31 2.45 5.12 0.98 -4.89 116.66 118.85 1dxx n ARG 177 Ca -0.22 -4.09 0.20 0.00 -1.93 0.00 0.00 57.85 51.80 1dxx n ARG 177 Cb 1.05 -1.99 0.96 0.00 -1.16 0.00 0.00 32.46 31.31 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 4.86 0.00 0.00 5.56 0.13 -1.58 -1.73 132.00 139.24 1dxx h PRO 178 Ca 0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1dxx h PRO 178 Cb 0.78 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 -0.11 0.38 -0.23 0.00 0.00 178.00 178.68 1dxx h ASP 179 N 0.00 0.00 1.78 1.44 3.04 -1.90 -3.29 116.42 117.49 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 0.26 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.54 1dxx h ASP 179 CO 0.00 0.11 -0.21 -0.07 -2.04 0.00 0.00 179.24 177.04 1dxx h LEU 180 N 0.00 0.00 0.00 0.15 3.38 -1.70 -3.48 115.31 113.66 1dxx h LEU 180 Ca -0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 1dxx h LEU 180 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1dxx h LEU 180 CO 0.01 0.21 0.46 2.22 0.09 0.00 0.00 178.44 181.44 1dxx n PHE 181 N -3.15 -0.59 -3.76 1.13 -1.74 -1.24 -5.14 117.46 102.96 1dxx n PHE 181 Ca 0.03 -0.56 -0.36 0.00 -0.56 0.00 0.00 57.45 56.00 1dxx n PHE 181 Cb 0.61 0.26 -0.13 0.00 1.52 0.00 0.00 39.48 41.75 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 -2.59 5.07 0.17 5.98 2.15 -1.26 -4.92 116.67 121.26 1dxx s ASP 182 Ca 0.16 -0.28 -0.21 0.00 0.43 0.00 0.00 52.55 52.65 1dxx s ASP 182 Cb -0.01 -1.90 0.09 0.00 -0.30 0.00 0.00 42.92 40.79 1dxx s ASP 182 CO 0.01 -0.05 1.61 -0.25 -0.17 0.00 0.00 175.17 176.32 1dxx h TRP 183 N 8.23 -0.71 -0.47 -5.34 -0.00 -2.00 -0.77 115.95 114.89 1dxx h TRP 183 Ca -0.38 0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.57 1dxx h TRP 183 Cb 1.17 0.37 -0.02 0.00 -0.00 0.00 0.00 29.16 30.68 1dxx h TRP 183 CO 0.66 -0.34 0.31 -0.91 -0.00 0.00 0.00 178.44 178.16 1dxx h ASN 184 N -0.19 0.54 0.63 2.65 2.35 -1.99 -1.01 115.58 118.56 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 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1dxx h ASN 184 CO -0.52 0.39 0.00 -1.54 -1.65 0.00 0.00 177.43 174.11 1dxx n SER 185 N -4.46 0.00 0.02 5.81 3.41 -0.30 -1.09 113.62 117.00 1dxx n SER 185 Ca 0.04 0.50 -0.21 0.00 -0.26 0.00 0.00 58.87 58.94 1dxx n SER 185 Cb 0.05 -0.50 -0.14 0.00 -0.26 0.00 0.00 64.21 63.36 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 0.71 -0.21 -3.33 2.07 -1.18 -3.31 116.25 111.00 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 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1dxx h VAL 186 CO 0.00 0.87 0.04 0.58 0.02 0.00 0.00 177.57 179.08 1dxx h VAL 187 N 0.08 1.11 -0.02 2.57 2.07 -0.33 -1.91 116.25 119.81 1dxx h VAL 187 Ca -0.40 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1dxx h VAL 187 Cb 2.05 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1dxx h VAL 187 CO 0.11 0.14 -0.01 -1.54 0.02 0.00 0.00 177.57 176.29 1dxx n SER 188 N -4.40 1.71 -4.53 0.57 3.41 -0.25 -4.58 113.62 105.54 1dxx n SER 188 Ca 0.00 -1.56 -0.42 0.00 -0.26 0.00 0.00 58.87 56.63 1dxx n SER 188 Cb 0.16 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 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 -2.01 3.62 0.51 4.33 2.00 -0.72 -4.88 119.66 122.52 1dxx s GLN 189 Ca 0.36 -1.36 0.39 0.00 -2.00 0.00 0.00 55.36 52.75 1dxx s GLN 189 Cb 0.21 -5.24 1.57 0.00 0.80 0.00 0.00 33.01 30.34 1dxx s GLN 189 CO 0.33 -2.09 1.67 -0.56 -0.50 0.00 0.00 175.29 174.14 1dxx h GLN 190 N 9.39 0.04 -6.34 1.67 3.07 -1.84 -3.41 115.11 117.69 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 28.51 1dxx h GLN 190 CO 1.34 0.03 0.97 0.45 0.09 0.00 0.00 178.83 181.71 1dxx s SER 191 N -4.49 6.67 0.11 0.06 0.15 -1.26 -4.89 113.70 110.06 1dxx s SER 191 Ca -0.06 1.23 -0.16 0.00 0.70 0.00 0.00 55.95 57.67 1dxx s SER 191 Cb 0.26 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 1dxx s SER 191 CO 0.85 -1.07 1.55 0.00 1.20 0.00 0.00 173.24 175.76 1dxx h ALA 192 N 9.29 0.48 -0.98 5.45 0.00 -1.82 0.48 119.26 132.16 1dxx h ALA 192 Ca -0.26 -0.26 0.16 0.00 0.00 0.00 0.00 54.91 54.55 1dxx h ALA 192 Cb 1.10 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.66 1dxx h ALA 192 CO 1.03 0.27 0.59 1.15 0.00 0.00 0.00 179.25 182.29 1dxx h THR 193 N 0.45 0.78 0.02 0.00 2.02 -1.90 0.57 112.91 114.86 1dxx h THR 193 Ca 0.10 -0.28 -0.21 0.00 0.77 0.00 0.00 66.41 66.79 1dxx h THR 193 Cb 0.48 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1dxx h THR 193 CO 0.02 0.15 -0.94 1.56 0.37 0.00 0.00 175.52 176.68 1dxx h GLN 194 N 0.82 0.19 -0.48 6.66 4.20 -1.79 -2.75 115.11 121.96 1dxx h GLN 194 Ca 0.54 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 1dxx h GLN 194 Cb 0.73 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 1dxx h GLN 194 CO -0.34 0.99 0.19 0.00 -0.67 0.00 0.00 178.83 179.00 1dxx h ARG 195 N 0.09 0.68 -0.01 1.46 3.08 0.13 -1.96 114.38 117.86 1dxx h ARG 195 Ca -0.05 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1dxx h ARG 195 Cb 1.59 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.52 1dxx h ARG 195 CO 0.14 0.57 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.54 1dxx h LEU 196 N 0.68 0.02 -1.13 3.04 3.38 -1.13 -0.34 115.31 119.83 1dxx h LEU 196 Ca 0.17 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1dxx h LEU 196 Cb 0.14 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1dxx h LEU 196 CO -0.02 0.41 0.16 -0.33 0.09 0.00 0.00 178.44 178.75 1dxx h GLU 197 N -0.37 0.77 0.45 1.13 5.08 -1.47 0.36 114.58 120.53 1dxx h GLU 197 Ca 0.00 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1dxx h GLU 197 Cb 0.41 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1dxx h GLU 197 CO 0.00 0.67 -0.27 1.25 -1.00 0.00 0.00 179.01 179.66 1dxx h HIS 198 N 0.75 -0.72 -0.61 4.33 2.76 -1.16 0.12 115.15 120.61 1dxx h HIS 198 Ca 0.17 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 1dxx h HIS 198 Cb 0.23 0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.42 1dxx h HIS 198 CO 0.01 -0.42 0.38 0.00 -1.30 0.00 0.00 177.93 176.60 1dxx h ALA 199 N -0.19 0.78 -0.99 5.26 0.00 -0.59 0.06 119.26 123.59 1dxx h ALA 199 Ca -0.05 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1dxx h ALA 199 Cb 0.56 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1dxx h ALA 199 CO 0.06 0.25 0.65 0.74 0.00 0.00 0.00 179.25 180.94 1dxx h PHE 200 N 0.83 1.21 -0.17 0.00 0.04 0.12 0.54 116.94 119.52 1dxx h PHE 200 Ca 0.22 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.97 1dxx h PHE 200 Cb -0.04 -0.41 -0.00 0.00 2.20 0.00 0.00 35.95 37.70 1dxx h PHE 200 CO -0.02 0.71 -0.09 -0.91 -0.60 0.00 0.00 178.31 177.40 1dxx h ASN 201 N 1.26 0.37 -0.39 2.17 2.35 -0.12 0.56 115.58 121.78 1dxx h ASN 201 Ca 0.39 -0.42 0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1dxx h ASN 201 Cb -0.01 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.21 1dxx h ASN 201 CO -0.12 0.70 0.10 0.40 -1.65 0.00 0.00 177.43 176.86 1dxx h ILE 202 N 0.03 0.84 -0.44 2.81 5.03 -0.62 0.58 117.51 125.73 1dxx h ILE 202 Ca 0.04 -0.08 -0.04 0.00 -0.12 0.00 0.00 64.86 64.65 1dxx h ILE 202 Cb 0.57 0.58 -0.02 0.00 -3.03 0.00 0.00 36.82 34.91 1dxx h ILE 202 CO 0.03 0.04 0.10 0.00 -0.68 0.00 0.00 178.15 177.64 1dxx h ALA 203 N 1.27 1.34 -0.02 1.87 0.00 0.45 0.46 119.26 124.64 1dxx h ALA 203 Ca 0.18 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1dxx h ALA 203 Cb 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1dxx h ALA 203 CO -0.22 0.47 -0.19 -0.09 0.00 0.00 0.00 179.25 179.22 1dxx h ARG 204 N 0.65 0.16 0.16 0.00 9.65 0.15 0.68 114.38 125.84 1dxx h ARG 204 Ca 0.15 -0.15 -0.36 0.00 -1.10 0.00 0.00 59.98 58.52 1dxx h ARG 204 Cb 0.26 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1dxx h ARG 204 CO -0.00 0.84 -1.84 1.88 2.80 0.00 0.00 179.97 183.65 1dxx h TYR 205 N -0.46 0.63 0.01 2.20 0.05 0.14 -2.23 116.97 117.32 1dxx h TYR 205 Ca -0.02 -0.46 -0.26 0.00 0.05 0.00 0.00 58.73 58.05 1dxx h TYR 205 Cb 0.89 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.57 1dxx h TYR 205 CO 0.16 1.71 -1.36 1.96 -1.05 0.00 0.00 178.16 179.58 1dxx h GLN 206 N 0.09 0.03 0.00 4.88 1.08 -0.20 -3.39 115.11 117.61 1dxx h GLN 206 Ca -0.37 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 1dxx h GLN 206 Cb 2.08 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 29.53 1dxx h GLN 206 CO 0.15 0.81 -0.74 1.28 -0.95 0.00 0.00 178.83 179.38 1dxx n LEU 207 N -3.24 0.68 0.00 1.46 4.77 -0.98 -4.98 117.00 114.71 1dxx n LEU 207 Ca -0.09 -0.48 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 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1dxx n GLY 208 N 1.36 0.74 3.65 -0.72 0.00 -0.73 -4.97 105.19 104.52 1dxx n GLY 208 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.48 4.82 0.19 -0.61 -1.09 0.23 -4.92 121.20 117.34 1dxx s ILE 209 Ca 0.00 1.67 -0.31 0.00 -2.23 0.00 0.00 60.65 59.78 1dxx s ILE 209 Cb 0.00 -4.16 -0.10 0.00 -1.58 0.00 0.00 42.46 36.62 1dxx s ILE 209 CO 0.00 -0.06 1.55 -0.70 -1.23 0.00 0.00 174.94 174.50 1dxx s GLU 210 N 2.69 4.22 -1.16 2.79 2.56 -1.26 -3.14 118.70 125.40 1dxx s GLU 210 Ca 0.38 2.37 -0.21 0.00 0.00 0.00 0.00 54.97 57.50 1dxx s GLU 210 Cb -0.16 -3.13 -0.01 0.00 2.00 0.00 0.00 34.13 32.83 1dxx s GLU 210 CO 0.09 -0.57 1.80 0.15 -0.56 0.00 0.00 175.26 176.17 1dxx s LYS 211 N 0.70 3.14 0.32 4.30 1.02 -1.26 -4.76 119.74 123.20 1dxx s LYS 211 Ca 0.67 -1.30 0.08 0.00 0.02 0.00 0.00 55.97 55.44 1dxx s LYS 211 Cb -0.44 -5.33 0.55 0.00 -0.52 0.00 0.00 37.83 32.09 1dxx s LYS 211 CO 0.35 -3.08 1.75 -0.07 -0.92 0.00 0.00 175.35 173.38 1dxx h LEU 212 N 15.39 0.21 -9.63 3.17 3.38 -1.98 -3.45 115.31 122.40 1dxx h LEU 212 Ca 0.27 -0.08 -0.64 0.00 0.09 0.00 0.00 57.88 57.52 1dxx h LEU 212 Cb 0.94 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.54 1dxx h LEU 212 CO 1.33 0.56 -0.58 -0.76 0.09 0.00 0.00 178.44 179.08 1dxx s LEU 213 N -8.33 3.90 0.12 1.67 1.43 -1.26 -5.13 118.68 111.07 1dxx s LEU 213 Ca -0.04 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1dxx s LEU 213 Cb 0.14 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 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 -2.13 5.44 0.36 2.29 1.01 -1.26 -5.00 116.67 117.38 1dxx s ASP 214 Ca 0.27 -0.09 0.10 0.00 0.71 0.00 0.00 52.55 53.54 1dxx s ASP 214 Cb -0.12 -1.42 0.85 0.00 1.01 0.00 0.00 42.92 43.24 1dxx s ASP 214 CO 0.19 0.13 1.86 -0.65 0.21 0.00 0.00 175.17 176.91 1dxx h PRO 215 N 2.92 0.64 0.00 8.23 0.11 -1.94 -0.27 132.00 141.69 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 0.42 0.00 1.05 -0.21 0.00 0.00 178.00 179.90 1dxx h GLU 216 N 0.66 0.00 0.00 1.05 9.09 -1.95 0.14 114.58 123.57 1dxx h GLU 216 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.87 1dxx h GLU 216 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.88 1dxx h GLU 216 CO -0.21 0.00 0.00 -0.44 0.05 0.00 0.00 179.01 178.41 1dxx h ASP 217 N 0.00 0.00 0.00 3.06 3.32 -1.43 -3.37 116.42 118.00 1dxx h ASP 217 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1dxx h ASP 217 Cb 0.38 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1dxx h ASP 217 CO 0.00 0.00 -1.44 0.52 -1.72 0.00 0.00 179.24 176.60 1dxx n VAL 218 N -2.88 1.22 -2.29 -1.35 0.31 -0.85 -3.68 118.33 108.82 1dxx n VAL 218 Ca 0.03 -0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.91 1dxx n VAL 218 Cb 0.42 -1.92 -0.01 0.00 -0.91 0.00 0.00 33.84 31.42 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 -4.00 4.44 -3.57 4.52 2.03 0.42 -4.23 116.55 116.16 1dxx n ASP 219 Ca -0.25 -2.87 -0.09 0.00 0.52 0.00 0.00 54.79 52.09 1dxx n ASP 219 Cb 0.58 -1.71 -0.04 0.00 -0.72 0.00 0.00 41.12 39.23 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 4.65 0.00 0.31 5.18 -1.32 -1.26 -4.69 115.64 118.52 1dxx s THR 220 Ca 0.54 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 61.01 1dxx s THR 220 Cb 0.06 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.32 1dxx s THR 220 CO 0.05 0.00 1.98 0.74 -2.21 0.00 0.00 174.62 175.18 1dxx h THR 221 N 2.42 1.19 -2.75 5.08 2.02 -1.94 -3.35 112.91 115.59 1dxx h THR 221 Ca -0.18 -0.36 -0.61 0.00 0.77 0.00 0.00 66.41 66.04 1dxx h THR 221 Cb 1.17 0.06 -0.42 0.00 -1.74 0.00 0.00 68.15 67.23 1dxx h THR 221 CO 0.30 0.19 -0.62 -1.22 0.37 0.00 0.00 175.52 174.54 1dxx n TYR 222 N -4.42 3.00 -1.91 3.16 4.01 -1.26 -4.92 117.16 114.82 1dxx n TYR 222 Ca 0.09 -4.18 -0.34 0.00 -0.16 0.00 0.00 57.90 53.31 1dxx n TYR 222 Cb 0.04 -0.54 0.03 0.00 -0.31 0.00 0.00 39.34 38.57 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 -1.66 2.96 -0.26 -0.72 0.02 -1.26 -4.97 135.00 129.10 1dxx s PRO 223 Ca 0.30 1.48 -0.24 0.00 0.02 0.00 0.00 61.00 62.56 1dxx s PRO 223 Cb 0.03 -1.96 -0.00 0.00 0.02 0.00 0.00 34.50 32.58 1dxx s PRO 223 CO -0.12 -1.14 0.81 0.34 -0.33 0.00 0.00 177.00 176.55 1dxx s ASP 224 N -2.29 6.77 0.08 2.53 2.15 -1.24 -4.85 116.67 119.82 1dxx s ASP 224 Ca 0.69 0.92 -0.31 0.00 0.43 0.00 0.00 52.55 54.28 1dxx s ASP 224 Cb -0.22 -2.42 -0.18 0.00 -0.30 0.00 0.00 42.92 39.80 1dxx s ASP 224 CO 0.37 -0.53 1.65 0.50 -0.17 0.00 0.00 175.17 176.98 1dxx h LYS 225 N 7.81 -0.72 -0.58 4.34 3.64 -1.94 -2.63 116.57 126.49 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 33.02 1dxx h LYS 225 CO 0.87 -0.48 0.25 0.87 -2.27 0.00 0.00 179.45 178.69 1dxx h LYS 226 N -0.74 0.44 -0.68 1.90 1.57 -1.94 0.06 116.57 117.19 1dxx h LYS 226 Ca -0.07 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1dxx h LYS 226 Cb 0.58 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1dxx h LYS 226 CO 0.11 0.29 0.15 0.77 -0.57 0.00 0.00 179.45 180.20 1dxx h SER 227 N 0.45 1.03 -0.11 0.86 0.02 -1.93 -0.95 113.55 112.93 1dxx h SER 227 Ca 0.28 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1dxx h SER 227 Cb 0.29 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1dxx h SER 227 CO -0.25 1.00 0.01 0.40 -1.14 0.00 0.00 176.83 176.84 1dxx h ILE 228 N 1.03 1.24 -0.50 3.27 2.04 -1.03 0.04 117.51 123.59 1dxx h ILE 228 Ca 0.21 -0.76 0.10 0.00 1.00 0.00 0.00 64.86 65.41 1dxx h ILE 228 Cb 0.38 1.54 -0.10 0.00 -0.74 0.00 0.00 36.82 37.90 1dxx h ILE 228 CO 0.00 0.22 -0.17 0.25 0.00 0.00 0.00 178.15 178.45 1dxx h LEU 229 N -0.07 -0.62 0.10 1.44 5.85 -0.69 0.37 115.31 121.69 1dxx h LEU 229 Ca 0.03 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1dxx h LEU 229 Cb 0.33 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1dxx h LEU 229 CO 0.00 -0.21 -0.08 -0.03 -0.34 0.00 0.00 178.44 177.78 1dxx h MET 230 N -0.06 -0.19 -0.39 1.25 4.05 -1.12 -0.76 114.93 117.70 1dxx h MET 230 Ca 0.24 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1dxx h MET 230 Cb 0.43 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 1dxx h MET 230 CO -0.55 -0.12 0.24 -0.92 0.23 0.00 0.00 176.91 175.79 1dxx h TYR 231 N -0.19 0.45 0.00 1.39 3.20 0.84 -2.13 116.97 120.53 1dxx h TYR 231 Ca 0.00 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1dxx h TYR 231 Cb 0.18 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1dxx h TYR 231 CO -0.10 0.27 -0.23 0.82 -1.64 0.00 0.00 178.16 177.28 1dxx h ILE 232 N 0.49 1.14 -0.56 1.81 1.08 -0.13 -2.37 117.51 118.98 1dxx h ILE 232 Ca 0.15 -0.80 -0.02 0.00 -0.39 0.00 0.00 64.86 63.79 1dxx h ILE 232 Cb -0.02 1.44 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 1dxx h ILE 232 CO -0.06 0.23 0.26 0.74 -0.69 0.00 0.00 178.15 178.63 1dxx h THR 233 N 0.00 1.21 -0.86 -0.27 2.02 -0.68 -0.84 112.91 113.49 1dxx h THR 233 Ca -0.00 -0.60 0.12 0.00 0.77 0.00 0.00 66.41 66.70 1dxx h THR 233 Cb 0.42 0.57 -0.08 0.00 -1.74 0.00 0.00 68.15 67.32 1dxx h THR 233 CO 0.03 0.24 0.48 0.28 0.37 0.00 0.00 175.52 176.92 1dxx h SER 234 N 0.75 0.65 -0.44 4.18 0.02 -0.86 -0.33 113.55 117.52 1dxx h SER 234 Ca 0.19 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 1dxx h SER 234 Cb 0.14 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1dxx h SER 234 CO -0.02 0.33 0.07 -0.07 -1.14 0.00 0.00 176.83 176.00 1dxx h LEU 235 N 0.75 0.71 -1.08 5.07 3.38 -1.18 -3.10 115.31 119.85 1dxx h LEU 235 Ca 0.44 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1dxx h LEU 235 Cb 0.51 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1dxx h LEU 235 CO -0.30 0.79 0.62 0.15 0.09 0.00 0.00 178.44 179.79 1dxx h PHE 236 N 0.60 1.17 0.00 1.13 3.04 -0.85 0.36 116.94 122.39 1dxx h PHE 236 Ca 0.13 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1dxx h PHE 236 Cb 0.38 -0.40 0.00 0.00 2.56 0.00 0.00 35.95 38.50 1dxx h PHE 236 CO 0.03 0.72 0.00 1.96 -2.02 0.00 0.00 178.31 178.99 1dxx h GLN 237 N 1.25 0.00 0.00 1.11 4.20 -0.99 -3.20 115.11 117.48 1dxx h GLN 237 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1dxx h GLN 237 Cb -0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1dxx h GLN 237 CO -0.09 0.00 0.00 1.33 -0.67 0.00 0.00 178.83 179.40 1dxx n VAL 238 N -2.66 0.38 -4.16 -0.54 0.24 0.05 -5.05 118.33 106.58 1dxx n VAL 238 Ca -0.01 -0.53 -0.23 0.00 -2.04 0.00 0.00 64.34 61.53 1dxx n VAL 238 Cb 0.10 0.95 -0.06 0.00 -1.47 0.00 0.00 33.84 33.36 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 -0.38 3.31 0.57 1.34 1.43 -0.76 -5.10 118.68 119.09 1dxx s LEU 239 Ca 0.00 -0.66 -0.21 0.00 -1.03 0.00 0.00 54.13 52.23 1dxx s LEU 239 Cb 0.00 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1dxx s LEU 239 CO 0.00 -0.16 1.32 -2.65 0.23 0.00 0.00 176.35 175.09 1dxx n PRO 240 N -1.07 1.54 -2.70 1.29 -0.02 -1.26 -4.88 135.00 127.90 1dxx n PRO 240 Ca -0.05 0.57 -0.27 0.00 -2.02 0.00 0.00 63.50 61.74 1dxx n PRO 240 Cb 0.60 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 1dxx n PRO 240 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1dxx n GLN 241 N -1.17 3.30 -2.51 -0.52 6.02 -1.26 -5.02 117.38 116.22 1dxx n GLN 241 Ca 0.12 -4.65 -0.43 0.00 -0.01 0.00 0.00 57.00 52.03 1dxx n GLN 241 Cb 0.45 -2.23 -0.02 0.00 1.02 0.00 0.00 30.24 29.46 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 -3.50 4.23 0.39 -1.09 -1.52 -1.26 -5.02 119.66 111.89 1dxx s GLN 242 Ca 0.48 1.53 0.05 0.00 -1.95 0.00 0.00 55.36 55.46 1dxx s GLN 242 Cb 0.35 -3.72 -0.06 0.00 -0.22 0.00 0.00 33.01 29.36 1dxx s GLN 242 CO -0.16 -0.69 0.04 0.14 -0.25 0.00 0.00 175.29 174.36 1dxx s VAL 243 N 3.42 1.43 -0.03 1.09 -7.23 -1.26 -4.71 120.40 113.11 1dxx s VAL 243 Ca 0.51 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1dxx s VAL 243 Cb -0.19 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 33.99 1dxx s VAL 243 CO 0.12 0.00 -0.05 -0.55 -0.31 0.00 0.00 175.10 174.30 1dxx s SER 244 N -3.64 4.73 0.05 4.85 0.15 -1.26 -5.07 113.70 113.51 1dxx s SER 244 Ca 0.30 -0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.89 1dxx s SER 244 Cb 0.08 -1.16 -0.03 0.00 -1.71 0.00 0.00 66.02 63.19 1dxx s SER 244 CO 0.15 0.32 -0.05 -0.63 1.20 0.00 0.00 173.24 174.22 1dxx s ILE 245 N -0.94 0.40 0.00 6.45 1.01 -1.26 -5.01 121.20 121.85 1dxx s ILE 245 Ca 0.16 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.43 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 0.00 174.94 173.73