#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwo n GLU 2 N 0.00 0.00 0.24 -1.46 0.00 -1.26 -1.84 120.64 116.31 1uwo n GLU 2 Ca 0.00 0.42 0.11 0.00 0.00 0.00 0.00 57.16 57.68 1uwo n GLU 2 Cb 0.00 -1.32 0.56 0.00 0.00 0.00 0.00 31.44 30.68 1uwo n GLU 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1uwo h LEU 3 N 0.00 0.00 0.26 4.31 3.38 -2.05 -2.76 115.31 118.46 1uwo h LEU 3 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1uwo h LEU 3 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1uwo h LEU 3 CO 0.00 0.20 -0.14 -0.08 0.09 0.00 0.00 178.44 178.51 1uwo h GLU 4 N 0.00 -0.36 -0.07 1.13 4.22 -1.99 0.26 114.58 117.76 1uwo h GLU 4 Ca -0.00 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 1uwo h GLU 4 Cb 0.59 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1uwo h GLU 4 CO 0.03 -0.24 0.00 0.87 -2.18 0.00 0.00 179.01 177.49 1uwo h LYS 5 N -0.38 0.12 0.00 1.92 1.79 -1.27 -2.08 116.57 116.67 1uwo h LYS 5 Ca -0.03 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1uwo h LYS 5 Cb 0.30 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1uwo h LYS 5 CO 0.05 0.38 0.00 0.00 -1.08 0.00 0.00 179.45 178.79 1uwo h ALA 6 N 0.74 1.00 0.10 3.86 0.00 -1.38 -2.64 119.26 120.94 1uwo h ALA 6 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1uwo h ALA 6 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1uwo h ALA 6 CO 0.00 0.00 -0.05 1.98 0.00 0.00 0.00 179.25 181.18 1uwo h MET 7 N 0.00 -0.13 -1.02 0.00 1.85 0.21 -2.73 114.93 113.11 1uwo h MET 7 Ca 0.00 0.01 0.27 0.00 -0.61 0.00 0.00 59.70 59.37 1uwo h MET 7 Cb 0.04 0.03 -0.07 0.00 0.43 0.00 0.00 31.60 32.02 1uwo h MET 7 CO 0.00 -0.09 0.68 -0.24 -0.40 0.00 0.00 176.91 176.87 1uwo h VAL 8 N -0.89 0.54 0.25 -5.77 3.04 -1.28 -1.48 116.25 110.65 1uwo h VAL 8 Ca -0.01 -0.10 -0.01 0.00 -1.01 0.00 0.00 66.70 65.57 1uwo h VAL 8 Cb 0.10 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 29.62 1uwo h VAL 8 CO 0.02 0.05 -0.12 0.00 -1.01 0.00 0.00 177.57 176.51 1uwo h ALA 9 N 1.57 -0.77 -0.84 3.17 0.00 -1.55 -2.55 119.26 118.30 1uwo h ALA 9 Ca 0.54 -0.07 0.24 0.00 0.00 0.00 0.00 54.91 55.62 1uwo h ALA 9 Cb 1.60 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 1uwo h ALA 9 CO -0.19 -0.75 0.91 -0.07 0.00 0.00 0.00 179.25 179.16 1uwo h LEU 10 N -0.45 0.00 0.22 0.00 3.38 -1.09 0.24 115.31 117.60 1uwo h LEU 10 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1uwo h LEU 10 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1uwo h LEU 10 CO 0.06 0.00 -0.10 0.40 0.09 0.00 0.00 178.44 178.88 1uwo h ILE 11 N 0.00 0.83 0.00 1.22 1.08 -1.01 -0.90 117.51 118.74 1uwo h ILE 11 Ca 0.40 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1uwo h ILE 11 Cb 2.22 1.27 0.00 0.00 -3.07 0.00 0.00 36.82 37.24 1uwo h ILE 11 CO -0.00 0.17 0.00 -0.78 -0.69 0.00 0.00 178.15 176.84 1uwo h ASP 12 N -0.74 0.00 0.69 1.72 3.58 -0.15 -0.98 116.42 120.55 1uwo h ASP 12 Ca -0.03 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.18 1uwo h ASP 12 Cb 0.50 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.51 1uwo h ASP 12 CO 0.05 0.00 -1.44 0.58 -2.88 0.00 0.00 179.24 175.55 1uwo h VAL 13 N 0.00 0.94 -0.13 2.25 2.07 -1.14 -1.82 116.25 118.42 1uwo h VAL 13 Ca 0.00 -2.66 -0.06 0.00 0.82 0.00 0.00 66.70 64.80 1uwo h VAL 13 Cb 0.07 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1uwo h VAL 13 CO 0.00 0.53 -0.14 0.15 0.02 0.00 0.00 177.57 178.13 1uwo h PHE 14 N 0.00 0.39 0.11 1.57 3.57 0.22 -1.37 116.94 121.44 1uwo h PHE 14 Ca -0.19 -0.12 -0.27 0.00 3.53 0.00 0.00 57.97 60.91 1uwo h PHE 14 Cb 1.84 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.50 1uwo h PHE 14 CO 0.00 0.74 -1.25 1.25 -2.23 0.00 0.00 178.31 176.82 1uwo h HIS 15 N -0.07 0.44 0.59 0.41 2.76 -1.64 -2.04 115.15 115.61 1uwo h HIS 15 Ca 0.02 -0.32 -0.03 0.00 -2.20 0.00 0.00 60.37 57.84 1uwo h HIS 15 Cb 0.68 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 29.63 1uwo h HIS 15 CO 0.09 1.26 -0.28 0.37 -1.30 0.00 0.00 177.93 178.07 1uwo h GLN 16 N 0.07 -0.76 -0.23 5.26 4.15 -1.37 0.13 115.11 122.35 1uwo h GLN 16 Ca -0.13 0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 1uwo h GLN 16 Cb 1.96 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 29.81 1uwo h GLN 16 CO 0.19 -0.45 -0.15 1.88 -1.93 0.00 0.00 178.83 178.38 1uwo h TYR 17 N -1.05 0.42 -0.01 3.99 -1.99 -1.39 -1.38 116.97 115.57 1uwo h TYR 17 Ca -0.08 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.59 1uwo h TYR 17 Cb 0.66 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.28 1uwo h TYR 17 CO 0.00 0.53 0.00 -1.13 -0.00 0.00 0.00 178.16 177.56 1uwo n SER 18 N -4.21 0.34 0.25 3.88 3.41 -0.76 -3.50 113.62 113.03 1uwo n SER 18 Ca 0.00 -1.20 0.13 0.00 -0.26 0.00 0.00 58.87 57.55 1uwo n SER 18 Cb 0.32 -0.01 0.63 0.00 -0.26 0.00 0.00 64.21 64.89 1uwo n SER 18 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1uwo h GLY 19 N 5.05 0.00 2.00 5.00 0.00 0.44 -1.94 103.07 113.62 1uwo h GLY 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1uwo h GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.75 1uwo h ARG 20 N 0.00 0.00 -6.78 4.80 3.08 -1.74 -3.45 114.38 110.30 1uwo h ARG 20 Ca -0.00 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.61 1uwo h ARG 20 Cb 0.55 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.64 1uwo h ARG 20 CO 0.02 0.00 -0.06 -2.00 -1.07 0.00 0.00 179.97 176.85 1uwo s GLU 21 N -3.19 2.72 0.14 0.04 -6.30 -0.74 -5.01 118.70 106.36 1uwo s GLU 21 Ca 0.08 -0.71 -0.08 0.00 -2.50 0.00 0.00 54.97 51.77 1uwo s GLU 21 Cb 0.11 -2.52 -0.05 0.00 0.00 0.00 0.00 34.13 31.67 1uwo s GLU 21 CO 0.55 -0.56 1.39 0.78 0.02 0.00 0.00 175.26 177.44 1uwo h GLY 22 N 0.20 0.74 1.53 -1.50 0.00 -1.87 -3.06 103.07 99.11 1uwo h GLY 22 Ca -0.43 -0.99 -0.03 0.00 0.00 0.00 0.00 47.33 45.88 1uwo h GLY 22 CO 0.54 0.88 0.14 -0.55 0.00 0.00 0.00 176.54 177.54 1uwo h ASP 23 N 0.48 0.55 0.00 0.19 5.19 -1.88 -3.45 116.42 117.50 1uwo h ASP 23 Ca -0.03 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1uwo h ASP 23 Cb 1.29 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.66 1uwo h ASP 23 CO 0.14 0.53 0.00 0.29 -3.12 0.00 0.00 179.24 177.08 1uwo n LYS 24 N -4.35 -0.04 0.00 3.56 5.02 -1.13 -4.69 118.16 116.53 1uwo n LYS 24 Ca 0.03 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1uwo n LYS 24 Cb 0.17 -3.04 0.00 0.00 -0.02 0.00 0.00 35.03 32.14 1uwo n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1uwo n HIS 25 N -2.06 0.00 -4.03 2.13 8.25 -1.25 -4.26 115.22 114.00 1uwo n HIS 25 Ca 0.00 -0.03 -0.13 0.00 -0.26 0.00 0.00 57.72 57.29 1uwo n HIS 25 Cb 0.01 -0.00 -0.13 0.00 1.12 0.00 0.00 29.99 30.98 1uwo n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1uwo s LYS 26 N -0.07 0.29 0.51 -0.41 -0.14 -1.26 -4.67 119.74 113.99 1uwo s LYS 26 Ca 0.00 -0.28 -0.05 0.00 -1.36 0.00 0.00 55.97 54.28 1uwo s LYS 26 Cb 0.00 -0.19 -0.03 0.00 -1.68 0.00 0.00 37.83 35.94 1uwo s LYS 26 CO 0.00 0.04 0.82 -0.51 -0.76 0.00 0.00 175.35 174.94 1uwo s LEU 27 N -0.50 3.52 -0.58 3.17 1.02 -1.26 -4.60 118.68 119.46 1uwo s LEU 27 Ca -0.03 0.89 0.06 0.00 0.02 0.00 0.00 54.13 55.07 1uwo s LEU 27 Cb -0.04 -3.82 0.22 0.00 0.02 0.00 0.00 46.19 42.57 1uwo s LEU 27 CO -0.00 -0.70 0.59 2.29 0.02 0.00 0.00 176.35 178.55 1uwo n LYS 28 N -2.35 1.70 0.00 1.70 2.85 -1.26 -2.11 118.16 118.69 1uwo n LYS 28 Ca 0.02 -4.15 0.00 0.00 -1.05 0.00 0.00 58.31 53.13 1uwo n LYS 28 Cb 0.56 -1.98 0.00 0.00 -0.65 0.00 0.00 35.03 32.96 1uwo n LYS 28 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1uwo n LYS 29 N 1.48 0.00 -0.28 -1.58 4.81 -1.26 -3.86 118.16 117.47 1uwo n LYS 29 Ca 0.26 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.75 1uwo n LYS 29 Cb 0.43 0.00 0.16 0.00 0.02 0.00 0.00 35.03 35.64 1uwo n LYS 29 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1uwo h SER 30 N 0.00 -0.50 -1.00 3.14 0.02 -1.99 0.55 113.55 113.77 1uwo h SER 30 Ca 0.00 0.22 0.08 0.00 -0.84 0.00 0.00 61.79 61.25 1uwo h SER 30 Cb 0.00 0.42 -0.07 0.00 0.14 0.00 0.00 62.40 62.88 1uwo h SER 30 CO 0.00 -0.23 0.64 -0.33 -1.14 0.00 0.00 176.83 175.77 1uwo h GLU 31 N 0.06 1.09 0.41 3.45 3.07 -1.91 -2.11 114.58 118.63 1uwo h GLU 31 Ca 0.43 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.21 1uwo h GLU 31 Cb 0.76 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1uwo h GLU 31 CO -0.76 0.72 -0.20 -0.07 -1.40 0.00 0.00 179.01 177.31 1uwo h LEU 32 N 1.12 -0.46 -1.55 1.33 3.38 -0.23 -2.01 115.31 116.89 1uwo h LEU 32 Ca 0.45 0.02 0.36 0.00 0.09 0.00 0.00 57.88 58.79 1uwo h LEU 32 Cb 0.25 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1uwo h LEU 32 CO -0.19 -0.32 1.14 0.50 0.09 0.00 0.00 178.44 179.65 1uwo h LYS 33 N -0.57 0.00 0.39 1.13 3.64 -1.14 0.22 116.57 120.25 1uwo h LYS 33 Ca -0.06 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1uwo h LYS 33 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1uwo h LYS 33 CO 0.09 0.00 -0.19 0.93 -2.27 0.00 0.00 179.45 178.01 1uwo h GLU 34 N 0.00 -0.51 -1.40 1.90 3.07 -0.68 -1.75 114.58 115.21 1uwo h GLU 34 Ca 0.59 0.03 0.42 0.00 -0.50 0.00 0.00 59.36 59.90 1uwo h GLU 34 Cb 2.85 0.12 -0.09 0.00 -0.84 0.00 0.00 28.75 30.79 1uwo h GLU 34 CO -0.01 -0.34 0.97 -0.07 -1.40 0.00 0.00 179.01 178.16 1uwo h LEU 35 N -0.74 0.15 -0.00 1.33 4.07 -0.64 0.72 115.31 120.19 1uwo h LEU 35 Ca -0.05 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1uwo h LEU 35 Cb 0.40 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 1uwo h LEU 35 CO 0.09 -0.05 -0.00 0.40 -1.08 0.00 0.00 178.44 177.80 1uwo h ILE 36 N 0.09 1.40 -0.25 1.22 5.03 -1.30 -1.78 117.51 121.92 1uwo h ILE 36 Ca 0.75 -1.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.29 1uwo h ILE 36 Cb 2.63 2.21 0.00 0.00 -3.03 0.00 0.00 36.82 38.62 1uwo h ILE 36 CO -0.19 0.31 0.00 0.59 -0.68 0.00 0.00 178.15 178.19 1uwo n ASN 37 N -4.84 1.64 -0.07 1.72 3.02 0.13 -1.21 115.26 115.64 1uwo n ASN 37 Ca -0.08 -2.06 -0.10 0.00 -0.03 0.00 0.00 54.58 52.30 1uwo n ASN 37 Cb 0.26 -0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 39.12 1uwo n ASN 37 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1uwo n ASN 38 N 0.25 2.75 0.00 6.41 5.15 0.21 -4.69 115.26 125.35 1uwo n ASN 38 Ca 0.09 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1uwo n ASN 38 Cb 0.29 -0.24 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 1uwo n ASN 38 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1uwo n GLU 39 N -2.97 1.29 -1.11 1.20 -0.00 -0.68 -4.66 120.64 113.70 1uwo n GLU 39 Ca -0.25 0.00 -0.24 0.00 -0.00 0.00 0.00 57.16 56.67 1uwo n GLU 39 Cb 0.75 -0.96 0.13 0.00 -0.00 0.00 0.00 31.44 31.36 1uwo n GLU 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1uwo n LEU 40 N -1.51 6.62 -0.06 -1.84 4.77 -0.35 -4.28 117.00 120.35 1uwo n LEU 40 Ca 0.00 -3.55 0.13 0.00 -0.03 0.00 0.00 56.01 52.55 1uwo n LEU 40 Cb 0.12 -0.86 0.34 0.00 -2.33 0.00 0.00 43.42 40.68 1uwo n LEU 40 CO 0.00 1.12 0.58 -0.24 -1.33 0.00 0.00 177.39 177.51 1uwo n SER 41 N -0.80 0.56 -0.02 -1.43 2.88 -1.19 -2.42 113.62 111.19 1uwo n SER 41 Ca 0.52 -0.34 -0.01 0.00 -1.33 0.00 0.00 58.87 57.72 1uwo n SER 41 Cb 1.22 0.13 -0.00 0.00 -0.75 0.00 0.00 64.21 64.80 1uwo n SER 41 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1uwo h HIS 42 N 0.29 0.00 0.00 0.66 -0.00 -1.91 -3.22 115.15 110.97 1uwo h HIS 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1uwo h HIS 42 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 1uwo h HIS 42 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.93 179.12 1uwo n PHE 43 N -3.13 0.00 -0.29 5.26 3.72 -1.26 -3.74 117.46 118.02 1uwo n PHE 43 Ca -0.02 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.49 1uwo n PHE 43 Cb 0.07 0.00 0.27 0.00 -0.94 0.00 0.00 39.48 38.88 1uwo n PHE 43 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 176.76 178.08 1uwo h LEU 44 N 0.00 0.32 1.85 4.37 -0.00 -1.87 -3.43 115.31 116.54 1uwo h LEU 44 Ca 0.00 0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 57.99 1uwo h LEU 44 Cb 0.00 0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 40.78 1uwo h LEU 44 CO 0.00 0.04 -0.04 -1.84 -0.00 0.00 0.00 178.44 176.60 1uwo n GLU 45 N -5.03 -2.50 0.00 0.17 0.28 -1.02 -4.70 120.64 107.85 1uwo n GLU 45 Ca 0.20 0.08 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 1uwo n GLU 45 Cb 0.58 -4.49 0.00 0.00 1.43 0.00 0.00 31.44 28.96 1uwo n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1uwo n GLU 46 N -2.23 0.00 0.28 3.44 4.07 -1.26 -4.97 120.64 119.96 1uwo n GLU 46 Ca -0.02 0.00 0.19 0.00 -0.06 0.00 0.00 57.16 57.27 1uwo n GLU 46 Cb 0.42 0.00 1.00 0.00 -0.06 0.00 0.00 31.44 32.80 1uwo n GLU 46 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1uwo h ILE 47 N 0.00 0.00 -0.55 6.31 2.04 -1.94 -3.45 117.51 119.92 1uwo h ILE 47 Ca 0.00 -0.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.72 1uwo h ILE 47 Cb 0.00 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1uwo h ILE 47 CO 0.00 0.00 -0.12 0.29 0.00 0.00 0.00 178.15 178.32 1uwo n LYS 48 N -2.84 -0.39 0.00 2.37 5.02 -1.26 -1.37 118.16 119.70 1uwo n LYS 48 Ca -0.02 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1uwo n LYS 48 Cb 0.08 -4.17 0.00 0.00 -0.02 0.00 0.00 35.03 30.92 1uwo n LYS 48 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1uwo n GLU 49 N -2.00 0.00 -2.66 1.97 2.13 -1.26 -4.21 120.64 114.62 1uwo n GLU 49 Ca -0.06 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.73 1uwo n GLU 49 Cb 0.41 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.15 1uwo n GLU 49 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1uwo n GLN 50 N 0.00 0.10 0.00 5.31 3.00 -1.22 -4.93 117.38 119.64 1uwo n GLN 50 Ca 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 57.00 56.36 1uwo n GLN 50 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 30.24 30.20 1uwo n GLN 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1uwo n GLU 51 N -0.06 0.00 0.06 -1.09 4.07 -0.47 -3.88 120.64 119.26 1uwo n GLU 51 Ca -0.19 0.24 0.12 0.00 -0.06 0.00 0.00 57.16 57.27 1uwo n GLU 51 Cb 0.69 -0.74 0.07 0.00 -0.06 0.00 0.00 31.44 31.40 1uwo n GLU 51 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1uwo n VAL 52 N -2.23 0.35 0.13 6.31 0.31 -1.26 -3.30 118.33 118.64 1uwo n VAL 52 Ca 0.00 -0.33 0.03 0.00 -0.01 0.00 0.00 64.34 64.02 1uwo n VAL 52 Cb 0.00 -0.06 0.02 0.00 -0.91 0.00 0.00 33.84 32.89 1uwo n VAL 52 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1uwo h VAL 53 N 0.00 0.81 0.06 2.52 2.07 -1.84 -1.42 116.25 118.45 1uwo h VAL 53 Ca 0.00 -2.17 -0.29 0.00 0.82 0.00 0.00 66.70 65.07 1uwo h VAL 53 Cb 0.81 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.93 1uwo h VAL 53 CO 0.00 0.46 -1.52 -0.78 0.02 0.00 0.00 177.57 175.75 1uwo h ASP 54 N 0.00 0.19 0.17 0.57 3.58 -1.67 -3.14 116.42 116.12 1uwo h ASP 54 Ca -0.02 -0.29 -0.26 0.00 0.42 0.00 0.00 57.03 56.88 1uwo h ASP 54 Cb 1.39 -0.06 0.03 0.00 1.72 0.00 0.00 39.33 42.41 1uwo h ASP 54 CO 0.06 1.25 -1.14 0.50 -2.88 0.00 0.00 179.24 177.03 1uwo h LYS 55 N 0.03 0.46 -0.13 0.28 3.64 -1.60 -3.33 116.57 115.93 1uwo h LYS 55 Ca -0.22 -0.73 0.01 0.00 -1.27 0.00 0.00 60.65 58.44 1uwo h LYS 55 Cb 1.97 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 34.04 1uwo h LYS 55 CO 0.12 1.34 0.04 -0.39 -2.27 0.00 0.00 179.45 178.29 1uwo h VAL 56 N -0.04 0.96 -1.19 2.00 -1.51 -1.40 -0.76 116.25 114.31 1uwo h VAL 56 Ca -0.19 -0.03 0.35 0.00 -1.23 0.00 0.00 66.70 65.59 1uwo h VAL 56 Cb 1.87 0.85 -0.05 0.00 -2.13 0.00 0.00 31.29 31.84 1uwo h VAL 56 CO 0.21 0.02 1.11 -0.03 -1.23 0.00 0.00 177.57 177.66 1uwo h MET 57 N 0.10 0.00 0.09 5.19 -1.53 -1.64 1.01 114.93 118.14 1uwo h MET 57 Ca 0.06 0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.18 1uwo h MET 57 Cb 0.04 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.10 1uwo h MET 57 CO -0.07 0.00 -0.60 1.49 0.14 0.00 0.00 176.91 177.87 1uwo h GLU 58 N 0.00 0.25 0.03 0.39 4.22 -1.27 -3.14 114.58 115.07 1uwo h GLU 58 Ca 0.57 -0.39 -0.00 0.00 0.08 0.00 0.00 59.36 59.62 1uwo h GLU 58 Cb 2.79 0.14 0.00 0.00 0.50 0.00 0.00 28.75 32.18 1uwo h GLU 58 CO -0.01 1.16 -0.02 1.15 -2.18 0.00 0.00 179.01 179.11 1uwo h THR 59 N -0.45 0.00 -0.90 0.32 2.02 0.94 -3.33 112.91 111.51 1uwo h THR 59 Ca -0.10 -0.62 0.30 0.00 0.77 0.00 0.00 66.41 66.76 1uwo h THR 59 Cb 1.43 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.68 1uwo h THR 59 CO 0.11 0.00 0.21 0.18 0.37 0.00 0.00 175.52 176.39 1uwo n LEU 60 N -3.84 0.07 -3.87 2.58 4.32 0.14 -1.28 117.00 115.12 1uwo n LEU 60 Ca -0.01 1.51 -0.43 0.00 -0.02 0.00 0.00 56.01 57.07 1uwo n LEU 60 Cb 0.02 -0.63 0.01 0.00 -1.62 0.00 0.00 43.42 41.20 1uwo n LEU 60 CO 0.01 -1.59 1.91 0.47 -1.22 0.00 0.00 177.39 176.97 1uwo n ASP 61 N -5.19 5.18 -0.04 -1.43 9.92 -1.19 -4.20 116.55 119.59 1uwo n ASP 61 Ca 0.26 -3.13 0.11 0.00 -0.53 0.00 0.00 54.79 51.50 1uwo n ASP 61 Cb 0.88 -1.46 0.05 0.00 -0.64 0.00 0.00 41.12 39.95 1uwo n ASP 61 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1uwo n ASN 62 N 3.67 0.88 0.08 -2.24 2.85 -0.40 -3.94 115.26 116.15 1uwo n ASN 62 Ca 0.39 -0.74 0.13 0.00 -0.11 0.00 0.00 54.58 54.25 1uwo n ASN 62 Cb 0.36 0.64 0.46 0.00 1.24 0.00 0.00 39.78 42.48 1uwo n ASN 62 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1uwo n ASP 63 N -1.36 0.58 -2.46 1.20 5.75 -1.26 -4.97 116.55 114.03 1uwo n ASP 63 Ca 0.05 0.56 -0.04 0.00 -0.01 0.00 0.00 54.79 55.36 1uwo n ASP 63 Cb 0.34 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 1uwo n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uwo n GLY 64 N 1.21 -2.23 0.00 6.12 0.00 -1.25 -4.93 105.19 104.11 1uwo n GLY 64 Ca 0.06 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1uwo n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uwo n ASP 65 N -0.01 0.00 0.00 1.61 -0.08 -1.26 -5.00 116.55 111.81 1uwo n ASP 65 Ca 0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 1uwo n ASP 65 Cb 0.21 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.67 1uwo n ASP 65 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uwo n GLY 66 N 0.00 1.34 3.13 0.27 0.00 -1.26 -5.12 105.19 103.55 1uwo n GLY 66 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1uwo n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uwo s GLU 67 N -0.17 0.25 0.66 1.61 2.02 -1.26 -4.58 118.70 117.23 1uwo s GLU 67 Ca 0.00 0.78 -0.15 0.00 0.02 0.00 0.00 54.97 55.62 1uwo s GLU 67 Cb 0.00 0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.26 1uwo s GLU 67 CO 0.00 -0.23 1.11 0.00 0.02 0.00 0.00 175.26 176.16 1uwo s ASP 69 N -2.63 4.29 0.09 0.00 1.01 -1.26 -3.99 116.67 114.18 1uwo s ASP 69 Ca 0.67 -1.20 -0.23 0.00 0.71 0.00 0.00 52.55 52.50 1uwo s ASP 69 Cb -0.20 -0.32 -0.14 0.00 1.01 0.00 0.00 42.92 43.27 1uwo s ASP 69 CO 0.42 -0.59 1.71 0.15 0.21 0.00 0.00 175.17 177.07 1uwo h PHE 70 N 1.45 0.03 -0.75 4.23 3.04 -1.97 0.47 116.94 123.44 1uwo h PHE 70 Ca -0.43 0.00 0.10 0.00 3.98 0.00 0.00 57.97 61.62 1uwo h PHE 70 Cb 1.26 -0.01 -0.07 0.00 2.56 0.00 0.00 35.95 39.68 1uwo h PHE 70 CO 0.75 0.06 0.40 1.96 -2.02 0.00 0.00 178.31 179.46 1uwo h GLN 71 N -0.00 0.64 0.00 1.11 4.20 -2.00 0.22 115.11 119.29 1uwo h GLN 71 Ca 0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1uwo h GLN 71 Cb 0.04 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1uwo h GLN 71 CO -0.00 0.43 0.00 0.93 -0.67 0.00 0.00 178.83 179.51 1uwo h GLU 72 N 0.66 0.00 0.13 1.46 5.08 -1.76 -2.79 114.58 117.36 1uwo h GLU 72 Ca 0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1uwo h GLU 72 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1uwo h GLU 72 CO -0.27 0.00 -0.06 0.35 -1.00 0.00 0.00 179.01 178.03 1uwo h PHE 73 N 0.00 -0.17 -0.53 4.33 3.57 0.32 0.24 116.94 124.71 1uwo h PHE 73 Ca 0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1uwo h PHE 73 Cb 0.71 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1uwo h PHE 73 CO 0.00 0.29 0.09 1.98 -2.23 0.00 0.00 178.31 178.44 1uwo h MET 74 N -0.73 0.88 0.00 1.11 4.05 -1.46 -1.68 114.93 117.10 1uwo h MET 74 Ca -0.02 -0.23 -0.04 0.00 -0.28 0.00 0.00 59.70 59.13 1uwo h MET 74 Cb 0.53 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 1uwo h MET 74 CO 0.03 0.86 -0.17 0.00 0.23 0.00 0.00 176.91 177.85 1uwo h ALA 75 N 0.99 1.23 0.56 0.39 0.00 -1.53 -0.51 119.26 120.40 1uwo h ALA 75 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1uwo h ALA 75 Cb 0.40 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1uwo h ALA 75 CO 0.01 0.22 -0.27 0.35 0.00 0.00 0.00 179.25 179.56 1uwo h PHE 76 N 0.00 -0.70 0.00 0.00 3.57 0.44 -0.32 116.94 119.92 1uwo h PHE 76 Ca -0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1uwo h PHE 76 Cb 0.47 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 1uwo h PHE 76 CO 0.00 -0.44 -0.07 0.28 -2.23 0.00 0.00 178.31 175.85 1uwo h VAL 77 N -0.90 0.59 0.00 1.41 2.07 -1.42 -0.23 116.25 117.77 1uwo h VAL 77 Ca -0.08 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1uwo h VAL 77 Cb 0.58 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1uwo h VAL 77 CO 0.13 0.07 -0.40 0.00 0.02 0.00 0.00 177.57 177.38 1uwo h ALA 78 N 1.93 1.25 -0.26 1.67 0.00 -0.81 -1.71 119.26 121.32 1uwo h ALA 78 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1uwo h ALA 78 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1uwo h ALA 78 CO 0.01 0.50 0.00 -1.33 0.00 0.00 0.00 179.25 178.43 1uwo n MET 79 N -3.93 0.00 -0.08 0.00 2.81 -0.15 -1.45 117.12 114.33 1uwo n MET 79 Ca -0.02 0.35 0.24 0.00 -1.81 0.00 0.00 57.70 56.47 1uwo n MET 79 Cb 0.45 -0.84 0.55 0.00 -0.71 0.00 0.00 33.22 32.66 1uwo n MET 79 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 1uwo h VAL 80 N 0.00 0.12 0.00 2.03 -1.51 -1.55 3.10 116.25 118.44 1uwo h VAL 80 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1uwo h VAL 80 Cb 0.00 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 29.41 1uwo h VAL 80 CO 0.00 0.00 -0.06 0.74 -1.23 0.00 0.00 177.57 177.02 1uwo h THR 81 N 0.00 0.00 0.00 7.19 2.02 -1.42 -3.27 112.91 117.43 1uwo h THR 81 Ca 0.36 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 1uwo h THR 81 Cb 2.21 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1uwo h THR 81 CO -0.00 0.00 -0.00 0.74 0.37 0.00 0.00 175.52 176.63 1uwo h THR 82 N -0.63 0.97 -0.83 3.16 2.02 0.05 -3.06 112.91 114.60 1uwo h THR 82 Ca 0.00 -1.72 0.28 0.00 0.77 0.00 0.00 66.41 65.74 1uwo h THR 82 Cb 0.06 1.83 -0.15 0.00 -1.74 0.00 0.00 68.15 68.14 1uwo h THR 82 CO 0.00 0.33 0.20 0.00 0.37 0.00 0.00 175.52 176.42 1uwo n ALA 83 N -2.69 0.61 -0.05 6.16 0.00 1.02 0.16 120.51 125.72 1uwo n ALA 83 Ca -0.05 0.87 -0.14 0.00 0.00 0.00 0.00 53.44 54.11 1uwo n ALA 83 Cb 0.26 -0.73 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 1uwo n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uwo n HIS 85 N -4.43 0.58 -0.03 0.00 8.25 0.43 -2.13 115.22 117.89 1uwo n HIS 85 Ca -0.06 0.28 -0.15 0.00 -0.26 0.00 0.00 57.72 57.52 1uwo n HIS 85 Cb 0.45 -0.95 -0.13 0.00 1.12 0.00 0.00 29.99 30.48 1uwo n HIS 85 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1uwo h GLU 86 N 0.00 0.12 -0.06 -0.41 4.22 -0.50 -3.22 114.58 114.73 1uwo h GLU 86 Ca 0.00 -0.16 0.02 0.00 0.08 0.00 0.00 59.36 59.30 1uwo h GLU 86 Cb 0.08 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1uwo h GLU 86 CO 0.00 0.99 0.06 0.74 -2.18 0.00 0.00 179.01 178.62 1uwo h PHE 87 N -0.67 0.00 -0.98 0.92 -1.00 -1.40 -1.55 116.94 112.26 1uwo h PHE 87 Ca -0.04 0.00 0.19 0.00 2.81 0.00 0.00 57.97 60.93 1uwo h PHE 87 Cb 1.09 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.56 1uwo h PHE 87 CO 0.22 0.00 0.61 0.35 -1.61 0.00 0.00 178.31 177.88 1uwo h PHE 88 N 0.00 0.93 0.06 -0.55 3.04 -1.54 -2.96 116.94 115.91 1uwo h PHE 88 Ca 0.03 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 1uwo h PHE 88 Cb 0.15 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.38 1uwo h PHE 88 CO 0.00 0.23 -0.03 1.49 -2.02 0.00 0.00 178.31 177.99 1uwo h GLU 89 N 0.69 -0.07 -6.24 1.11 4.81 -1.43 -3.47 114.58 109.98 1uwo h GLU 89 Ca 0.54 0.01 -0.46 0.00 -0.13 0.00 0.00 59.36 59.32 1uwo h GLU 89 Cb 0.94 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1uwo h GLU 89 CO -0.31 -0.05 -0.80 1.58 -0.73 0.00 0.00 179.01 178.70 1uwo n HIS 90 N -2.46 -2.11 -0.43 0.92 -0.00 -1.12 -5.18 115.22 104.84 1uwo n HIS 90 Ca -0.01 0.87 0.00 0.00 -0.00 0.00 0.00 57.72 58.58 1uwo n HIS 90 Cb 0.03 -4.12 0.00 0.00 -0.00 0.00 0.00 29.99 25.90 1uwo n HIS 90 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43