#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwo h GLU 2 N 0.00 0.00 0.00 -1.46 4.81 -2.05 -2.03 114.58 113.85 1uwo h GLU 2 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1uwo h GLU 2 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1uwo h GLU 2 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 179.01 178.17 1uwo n LEU 3 N -4.29 0.14 -0.09 1.64 7.94 -1.26 -2.25 117.00 118.83 1uwo n LEU 3 Ca -0.00 0.55 -0.16 0.00 -1.11 0.00 0.00 56.01 55.29 1uwo n LEU 3 Cb 0.01 -0.55 -0.08 0.00 0.53 0.00 0.00 43.42 43.32 1uwo n LEU 3 CO 0.00 -0.48 -0.41 -0.08 -1.11 0.00 0.00 177.39 175.31 1uwo h GLU 4 N 0.00 0.00 -0.16 1.96 4.81 -2.01 -3.29 114.58 115.89 1uwo h GLU 4 Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1uwo h GLU 4 Cb 0.12 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1uwo h GLU 4 CO 0.00 0.67 0.14 0.87 -0.73 0.00 0.00 179.01 179.96 1uwo h LYS 5 N -1.00 0.00 -0.10 1.92 1.57 -1.16 0.55 116.57 118.35 1uwo h LYS 5 Ca -0.22 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.44 1uwo h LYS 5 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1uwo h LYS 5 CO -0.13 0.00 -0.49 0.00 -0.57 0.00 0.00 179.45 178.26 1uwo h ALA 6 N 1.86 0.99 -0.19 3.86 0.00 -1.59 -1.01 119.26 123.19 1uwo h ALA 6 Ca 0.07 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1uwo h ALA 6 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1uwo h ALA 6 CO -0.00 0.65 -0.37 1.98 0.00 0.00 0.00 179.25 181.51 1uwo h MET 7 N 0.20 0.59 0.00 0.00 1.85 -0.96 -0.92 114.93 115.69 1uwo h MET 7 Ca 0.01 -0.38 -0.10 0.00 -0.61 0.00 0.00 59.70 58.62 1uwo h MET 7 Cb 0.94 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.00 1uwo h MET 7 CO 0.08 0.99 -0.48 0.28 -0.40 0.00 0.00 176.91 177.38 1uwo h VAL 8 N 0.26 1.19 0.01 -5.77 2.07 -1.41 -2.47 116.25 110.13 1uwo h VAL 8 Ca 0.01 -1.74 -0.00 0.00 0.82 0.00 0.00 66.70 65.79 1uwo h VAL 8 Cb 0.97 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1uwo h VAL 8 CO 0.08 0.47 -0.00 0.00 0.02 0.00 0.00 177.57 178.14 1uwo h ALA 9 N 1.52 -0.08 -0.84 1.67 0.00 -1.09 -2.40 119.26 118.03 1uwo h ALA 9 Ca -0.00 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.09 1uwo h ALA 9 Cb 0.94 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.58 1uwo h ALA 9 CO 0.06 -0.08 -0.09 -0.07 0.00 0.00 0.00 179.25 179.07 1uwo h LEU 10 N -0.12 -0.57 -0.58 0.00 3.38 -1.29 0.52 115.31 116.64 1uwo h LEU 10 Ca -0.00 0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.23 1uwo h LEU 10 Cb 0.01 0.45 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1uwo h LEU 10 CO 0.00 -0.26 0.36 -0.29 0.09 0.00 0.00 178.44 178.35 1uwo h ILE 11 N 0.04 1.09 0.00 1.22 -0.00 -1.58 -0.18 117.51 118.10 1uwo h ILE 11 Ca 0.45 -0.25 0.00 0.00 -0.00 0.00 0.00 64.86 65.06 1uwo h ILE 11 Cb 0.77 0.30 0.00 0.00 -0.00 0.00 0.00 36.82 37.90 1uwo h ILE 11 CO -0.81 0.13 0.00 -0.78 -0.00 0.00 0.00 178.15 176.69 1uwo h ASP 12 N 0.72 0.00 0.60 2.19 1.82 0.48 -2.49 116.42 119.74 1uwo h ASP 12 Ca 0.23 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.61 1uwo h ASP 12 Cb -0.00 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 39.96 1uwo h ASP 12 CO -0.09 0.00 -1.56 0.58 -1.61 0.00 0.00 179.24 176.56 1uwo h VAL 13 N 0.00 0.93 -0.11 2.25 2.07 0.74 -2.01 116.25 120.11 1uwo h VAL 13 Ca 0.00 -2.73 -0.07 0.00 0.82 0.00 0.00 66.70 64.72 1uwo h VAL 13 Cb 0.32 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1uwo h VAL 13 CO 0.00 0.53 -0.22 0.15 0.02 0.00 0.00 177.57 178.05 1uwo h PHE 14 N 0.00 0.44 0.06 1.57 3.57 -0.74 -0.55 116.94 121.29 1uwo h PHE 14 Ca -0.23 -0.16 -0.24 0.00 3.53 0.00 0.00 57.97 60.87 1uwo h PHE 14 Cb 1.93 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.59 1uwo h PHE 14 CO 0.00 0.83 -1.06 1.25 -2.23 0.00 0.00 178.31 177.10 1uwo h HIS 15 N -0.08 0.49 0.35 0.41 2.76 -1.64 -2.25 115.15 115.18 1uwo h HIS 15 Ca 0.01 -0.30 -0.02 0.00 -2.20 0.00 0.00 60.37 57.85 1uwo h HIS 15 Cb 0.80 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.73 1uwo h HIS 15 CO 0.10 1.17 -0.17 0.37 -1.30 0.00 0.00 177.93 178.11 1uwo h GLN 16 N 0.13 -0.45 -0.95 5.26 5.75 -1.39 0.36 115.11 123.82 1uwo h GLN 16 Ca -0.09 0.03 0.14 0.00 -0.15 0.00 0.00 58.65 58.58 1uwo h GLN 16 Cb 1.74 0.10 -0.08 0.00 1.07 0.00 0.00 27.48 30.31 1uwo h GLN 16 CO 0.17 -0.30 0.60 1.88 -2.65 0.00 0.00 178.83 178.54 1uwo h TYR 17 N -0.74 0.96 -0.05 3.99 -1.99 -1.24 0.20 116.97 118.11 1uwo h TYR 17 Ca -0.05 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.62 1uwo h TYR 17 Cb 0.36 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 1uwo h TYR 17 CO 0.05 0.34 -0.40 0.77 -0.00 0.00 0.00 178.16 178.92 1uwo h SER 18 N 0.80 0.10 0.00 3.88 0.02 -1.40 -2.35 113.55 114.60 1uwo h SER 18 Ca 0.49 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1uwo h SER 18 Cb 0.68 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1uwo h SER 18 CO -0.25 0.50 0.13 1.23 -1.14 0.00 0.00 176.83 177.30 1uwo h GLY 19 N 1.22 0.00 1.33 -3.77 0.00 0.17 -0.10 103.07 101.91 1uwo h GLY 19 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.15 1uwo h GLY 19 CO 0.06 0.00 -0.65 3.21 0.00 0.00 0.00 176.54 179.16 1uwo h ARG 20 N 0.00 0.69 -7.45 4.80 2.47 -1.42 -3.45 114.38 110.03 1uwo h ARG 20 Ca 0.00 -0.49 -0.49 0.00 -1.26 0.00 0.00 59.98 57.74 1uwo h ARG 20 Cb 0.27 0.08 0.09 0.00 -1.65 0.00 0.00 29.97 28.75 1uwo h ARG 20 CO 0.00 1.11 0.39 -1.83 0.56 0.00 0.00 179.97 180.20 1uwo s GLU 21 N -3.89 2.67 0.17 0.04 -1.05 -0.05 -4.95 118.70 111.64 1uwo s GLU 21 Ca -0.09 0.55 -0.19 0.00 -0.15 0.00 0.00 54.97 55.09 1uwo s GLU 21 Cb 0.10 -1.99 0.09 0.00 -0.44 0.00 0.00 34.13 31.88 1uwo s GLU 21 CO 0.87 -1.19 1.64 0.78 0.95 0.00 0.00 175.26 178.31 1uwo h GLY 22 N -0.77 0.06 -0.30 -3.83 0.00 -1.86 -3.41 103.07 92.96 1uwo h GLY 22 Ca -0.45 0.25 -0.15 0.00 0.00 0.00 0.00 47.33 46.98 1uwo h GLY 22 CO 0.62 -0.19 0.13 1.22 0.00 0.00 0.00 176.54 178.31 1uwo n ASP 23 N -5.37 -0.22 -2.95 0.19 8.00 -1.26 -5.04 116.55 109.89 1uwo n ASP 23 Ca 0.02 -1.08 -0.14 0.00 0.71 0.00 0.00 54.79 54.29 1uwo n ASP 23 Cb 0.28 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1uwo n ASP 23 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1uwo n LYS 24 N -2.09 1.04 -1.06 -1.24 3.00 -1.26 -4.40 118.16 112.16 1uwo n LYS 24 Ca 0.06 -3.18 -0.03 0.00 -0.00 0.00 0.00 58.31 55.16 1uwo n LYS 24 Cb 0.20 -1.43 -0.01 0.00 0.00 0.00 0.00 35.03 33.78 1uwo n LYS 24 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1uwo n HIS 25 N 0.13 -0.24 -3.71 5.64 -0.00 -1.26 -4.87 115.22 110.90 1uwo n HIS 25 Ca 0.17 -0.39 -0.01 0.00 0.46 0.00 0.00 57.72 57.94 1uwo n HIS 25 Cb 0.73 0.53 -0.01 0.00 -0.12 0.00 0.00 29.99 31.12 1uwo n HIS 25 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1uwo s LYS 26 N 0.01 0.90 -0.04 1.57 -2.85 -1.26 -4.64 119.74 113.44 1uwo s LYS 26 Ca 0.01 -0.50 0.01 0.00 -1.00 0.00 0.00 55.97 54.49 1uwo s LYS 26 Cb 0.05 0.30 0.02 0.00 -2.06 0.00 0.00 37.83 36.15 1uwo s LYS 26 CO -0.01 -0.41 -0.04 -0.51 0.10 0.00 0.00 175.35 174.47 1uwo s LEU 27 N -2.98 1.34 0.77 2.77 1.43 -1.22 -4.34 118.68 116.46 1uwo s LEU 27 Ca 0.13 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.00 1uwo s LEU 27 Cb 0.01 -0.43 0.05 0.00 0.03 0.00 0.00 46.19 45.85 1uwo s LEU 27 CO 0.00 -0.05 1.12 -1.59 0.23 0.00 0.00 176.35 176.06 1uwo s LYS 28 N 0.89 2.34 0.58 1.70 -2.85 -1.26 -1.61 119.74 119.53 1uwo s LYS 28 Ca -0.12 0.38 0.35 0.00 -1.00 0.00 0.00 55.97 55.59 1uwo s LYS 28 Cb -0.14 -1.97 1.31 0.00 -2.06 0.00 0.00 37.83 34.97 1uwo s LYS 28 CO 0.00 -1.38 1.52 0.87 0.10 0.00 0.00 175.35 176.46 1uwo h LYS 29 N -0.91 0.00 0.10 1.78 1.57 -1.99 0.64 116.57 117.76 1uwo h LYS 29 Ca -0.46 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1uwo h LYS 29 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1uwo h LYS 29 CO 0.63 0.00 -0.05 0.77 -0.57 0.00 0.00 179.45 180.24 1uwo h SER 30 N 0.00 -0.12 -0.91 0.86 0.02 -1.97 -2.81 113.55 108.62 1uwo h SER 30 Ca 0.60 -0.14 0.24 0.00 -0.84 0.00 0.00 61.79 61.65 1uwo h SER 30 Cb 2.87 0.03 -0.13 0.00 0.14 0.00 0.00 62.40 65.31 1uwo h SER 30 CO -0.01 0.43 0.37 -0.33 -1.14 0.00 0.00 176.83 176.15 1uwo h GLU 31 N -1.02 0.32 0.38 3.45 4.39 -1.22 -1.27 114.58 119.62 1uwo h GLU 31 Ca -0.01 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1uwo h GLU 31 Cb 0.25 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1uwo h GLU 31 CO 0.02 0.21 -0.20 -0.07 -1.16 0.00 0.00 179.01 177.81 1uwo h LEU 32 N 0.33 -0.50 -1.79 1.33 4.07 -1.44 -1.83 115.31 115.48 1uwo h LEU 32 Ca 0.58 0.02 0.50 0.00 0.08 0.00 0.00 57.88 59.07 1uwo h LEU 32 Cb 1.17 0.14 -0.09 0.00 1.08 0.00 0.00 40.66 42.95 1uwo h LEU 32 CO -0.58 -0.33 1.16 0.11 -1.08 0.00 0.00 178.44 177.73 1uwo h LYS 33 N -0.54 0.02 0.53 1.13 1.57 -1.02 0.85 116.57 119.11 1uwo h LYS 33 Ca -0.05 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1uwo h LYS 33 Cb 0.42 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.73 1uwo h LYS 33 CO 0.07 0.01 -0.25 0.93 -0.57 0.00 0.00 179.45 179.64 1uwo h GLU 34 N 0.02 -0.68 -0.95 3.15 5.08 -0.48 -1.52 114.58 119.20 1uwo h GLU 34 Ca 0.86 0.05 0.18 0.00 -1.00 0.00 0.00 59.36 59.44 1uwo h GLU 34 Cb 3.21 0.16 -0.17 0.00 0.50 0.00 0.00 28.75 32.45 1uwo h GLU 34 CO -0.16 -0.46 -0.29 -0.07 -1.00 0.00 0.00 179.01 177.04 1uwo h LEU 35 N -1.02 -1.05 -0.51 1.33 -0.00 -0.13 1.59 115.31 115.52 1uwo h LEU 35 Ca -0.07 0.29 -0.02 0.00 -0.00 0.00 0.00 57.88 58.08 1uwo h LEU 35 Cb 0.54 0.64 -0.02 0.00 -0.00 0.00 0.00 40.66 41.82 1uwo h LEU 35 CO 0.12 -0.31 0.26 0.40 -0.00 0.00 0.00 178.44 178.91 1uwo h ILE 36 N -0.01 1.19 -0.30 1.22 2.04 -1.50 -1.71 117.51 118.44 1uwo h ILE 36 Ca 0.42 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1uwo h ILE 36 Cb 0.66 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1uwo h ILE 36 CO -0.97 0.21 0.00 0.59 0.00 0.00 0.00 178.15 177.98 1uwo n ASN 37 N -4.62 1.62 -0.05 1.72 3.02 0.15 -0.90 115.26 116.21 1uwo n ASN 37 Ca 0.02 -2.00 -0.02 0.00 -0.03 0.00 0.00 54.58 52.56 1uwo n ASN 37 Cb 0.10 -0.20 -0.12 0.00 -0.61 0.00 0.00 39.78 38.95 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 0.39 1.41 0.00 6.41 2.85 0.50 -4.55 115.26 122.26 1uwo n ASN 38 Ca 0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1uwo n ASN 38 Cb 0.26 1.17 0.00 0.00 1.24 0.00 0.00 39.78 42.45 1uwo n ASN 38 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1uwo n GLU 39 N -2.36 0.48 -0.21 1.20 0.00 -0.86 -4.76 120.64 114.13 1uwo n GLU 39 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.03 1uwo n GLU 39 Cb 0.77 -0.63 0.12 0.00 0.00 0.00 0.00 31.44 31.70 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 -1.35 1.90 0.00 -1.84 4.32 -0.08 -4.00 117.00 115.96 1uwo n LEU 40 Ca 0.00 -0.96 0.05 0.00 -0.02 0.00 0.00 56.01 55.08 1uwo n LEU 40 Cb 0.13 -0.36 0.21 0.00 -1.62 0.00 0.00 43.42 41.77 1uwo n LEU 40 CO 0.00 0.34 0.63 -0.24 -1.22 0.00 0.00 177.39 176.91 1uwo n SER 41 N 0.20 0.00 0.00 -1.43 2.88 -0.94 -1.95 113.62 112.38 1uwo n SER 41 Ca 0.08 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1uwo n SER 41 Cb 0.38 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1uwo n SER 41 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1uwo n HIS 42 N -1.45 0.00 -0.01 0.66 -0.00 -1.26 -3.01 115.22 110.16 1uwo n HIS 42 Ca 0.03 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.00 1uwo n HIS 42 Cb 0.10 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.83 1uwo n HIS 42 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1uwo n PHE 43 N -0.88 1.13 -1.90 1.57 7.35 -0.92 -4.42 117.46 119.40 1uwo n PHE 43 Ca 0.00 0.25 -0.02 0.00 -0.76 0.00 0.00 57.45 56.92 1uwo n PHE 43 Cb 0.00 -1.15 0.13 0.00 0.35 0.00 0.00 39.48 38.81 1uwo n PHE 43 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 1uwo n LEU 44 N -3.44 2.92 -3.62 -2.13 -0.00 -0.82 -4.92 117.00 104.99 1uwo n LEU 44 Ca -0.33 -3.78 -0.23 0.00 -0.00 0.00 0.00 56.01 51.67 1uwo n LEU 44 Cb 1.04 -0.35 0.01 0.00 -0.00 0.00 0.00 43.42 44.12 1uwo n LEU 44 CO 0.42 1.42 -0.16 -0.62 -0.00 0.00 0.00 177.39 178.45 1uwo n GLU 45 N -0.77 -1.60 0.00 1.47 1.02 -1.25 -4.50 120.64 115.01 1uwo n GLU 45 Ca 0.22 1.00 0.00 0.00 -0.02 0.00 0.00 57.16 58.36 1uwo n GLU 45 Cb 0.83 -2.85 0.00 0.00 -0.02 0.00 0.00 31.44 29.39 1uwo n GLU 45 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1uwo n GLU 46 N -2.08 0.00 0.05 3.49 -0.58 -1.16 -4.68 120.64 115.67 1uwo n GLU 46 Ca -0.23 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.51 1uwo n GLU 46 Cb 0.66 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.53 1uwo n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1uwo n ILE 47 N 0.00 0.95 0.00 -3.67 2.08 -1.26 -4.90 119.36 112.55 1uwo n ILE 47 Ca 0.00 0.31 0.00 0.00 0.56 0.00 0.00 62.75 63.62 1uwo n ILE 47 Cb 0.00 -1.47 0.00 0.00 -0.75 0.00 0.00 39.64 37.42 1uwo n ILE 47 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1uwo n LYS 48 N -3.41 0.00 -0.39 0.38 2.85 -1.26 -1.93 118.16 114.39 1uwo n LYS 48 Ca 0.00 0.00 0.34 0.00 -1.05 0.00 0.00 58.31 57.60 1uwo n LYS 48 Cb 0.07 0.00 0.66 0.00 -0.65 0.00 0.00 35.03 35.11 1uwo n LYS 48 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1uwo h GLU 49 N 0.00 0.14 -0.92 -1.58 4.39 -1.93 -3.44 114.58 111.23 1uwo h GLU 49 Ca 0.00 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 1uwo h GLU 49 Cb 0.00 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1uwo h GLU 49 CO 0.00 0.09 -0.10 0.94 -1.16 0.00 0.00 179.01 178.78 1uwo n GLN 50 N -4.43 -0.63 -0.03 2.33 7.27 -0.81 -4.95 117.38 116.13 1uwo n GLN 50 Ca 0.30 0.17 -0.13 0.00 0.07 0.00 0.00 57.00 57.41 1uwo n GLN 50 Cb 1.26 -3.67 -0.11 0.00 2.41 0.00 0.00 30.24 30.13 1uwo n GLN 50 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1uwo h GLU 51 N -0.14 0.04 0.00 3.69 4.39 -1.86 -1.27 114.58 119.43 1uwo h GLU 51 Ca -0.09 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1uwo h GLU 51 Cb 1.07 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1uwo h GLU 51 CO 0.10 0.67 -1.05 0.28 -1.16 0.00 0.00 179.01 177.85 1uwo n VAL 52 N -4.74 0.43 0.11 3.13 0.31 -1.26 -1.79 118.33 114.52 1uwo n VAL 52 Ca -0.09 -0.44 -0.21 0.00 -0.01 0.00 0.00 64.34 63.59 1uwo n VAL 52 Cb 0.34 -0.17 -0.15 0.00 -0.91 0.00 0.00 33.84 32.95 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 1.24 0.00 2.52 2.07 -1.95 0.84 116.25 120.97 1uwo h VAL 53 Ca 0.00 -2.77 -0.29 0.00 0.82 0.00 0.00 66.70 64.46 1uwo h VAL 53 Cb 0.91 2.91 -0.05 0.00 -1.52 0.00 0.00 31.29 33.53 1uwo h VAL 53 CO 0.00 0.84 -1.75 -0.67 0.02 0.00 0.00 177.57 176.01 1uwo n ASP 54 N -3.59 0.79 -0.01 0.57 2.03 -0.48 -2.60 116.55 113.25 1uwo n ASP 54 Ca -0.16 0.38 -0.16 0.00 0.52 0.00 0.00 54.79 55.37 1uwo n ASP 54 Cb 1.07 0.05 -0.14 0.00 -0.72 0.00 0.00 41.12 41.38 1uwo n ASP 54 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1uwo n LYS 55 N -3.00 0.70 0.03 -0.67 4.81 -0.74 -3.74 118.16 115.55 1uwo n LYS 55 Ca -0.18 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1uwo n LYS 55 Cb 1.04 -1.73 -0.08 0.00 0.02 0.00 0.00 35.03 34.28 1uwo n LYS 55 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1uwo n VAL 56 N -3.27 1.16 -0.03 3.15 3.14 0.27 -3.48 118.33 119.28 1uwo n VAL 56 Ca -0.26 -0.69 -0.13 0.00 -2.96 0.00 0.00 64.34 60.30 1uwo n VAL 56 Cb 1.05 -0.72 -0.10 0.00 -1.06 0.00 0.00 33.84 33.01 1uwo n VAL 56 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 1uwo h MET 57 N 0.00 0.03 -0.63 1.45 1.85 -1.30 1.29 114.93 117.63 1uwo h MET 57 Ca -0.17 -0.02 0.03 0.00 -0.61 0.00 0.00 59.70 58.93 1uwo h MET 57 Cb 1.58 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 33.58 1uwo h MET 57 CO 0.04 0.62 0.42 1.49 -0.40 0.00 0.00 176.91 179.08 1uwo h GLU 58 N -0.55 0.74 -0.00 0.39 4.22 -1.74 0.11 114.58 117.75 1uwo h GLU 58 Ca -0.00 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1uwo h GLU 58 Cb 0.62 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1uwo h GLU 58 CO 0.01 0.49 -0.51 -2.37 -2.18 0.00 0.00 179.01 174.45 1uwo n THR 59 N -4.46 0.00 -0.09 0.32 5.66 -1.17 -4.07 114.28 110.47 1uwo n THR 59 Ca 0.07 -0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.96 1uwo n THR 59 Cb 0.11 0.28 -0.04 0.00 -1.55 0.00 0.00 70.33 69.13 1uwo n THR 59 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1uwo h LEU 60 N 0.04 0.43 -8.29 1.09 3.38 0.38 -3.37 115.31 108.96 1uwo h LEU 60 Ca 0.00 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1uwo h LEU 60 Cb 0.50 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1uwo h LEU 60 CO 0.00 0.62 0.11 -1.81 0.09 0.00 0.00 178.44 177.45 1uwo s ASP 61 N -5.92 3.97 0.01 -0.43 1.01 -1.18 -4.68 116.67 109.44 1uwo s ASP 61 Ca -0.14 -0.17 0.17 0.00 0.71 0.00 0.00 52.55 53.13 1uwo s ASP 61 Cb 0.08 -2.56 0.73 0.00 1.01 0.00 0.00 42.92 42.18 1uwo s ASP 61 CO 0.75 -3.87 1.55 0.59 0.21 0.00 0.00 175.17 174.39 1uwo n ASN 62 N 18.30 0.04 -0.08 0.27 4.13 -1.26 -2.89 115.26 133.77 1uwo n ASN 62 Ca 0.46 0.51 -0.17 0.00 1.68 0.00 0.00 54.58 57.06 1uwo n ASN 62 Cb 0.44 -0.52 -0.13 0.00 -1.54 0.00 0.00 39.78 38.03 1uwo n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1uwo n ASP 63 N -1.54 1.56 -0.17 6.41 8.00 -1.26 -5.07 116.55 124.47 1uwo n ASP 63 Ca 0.04 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1uwo n ASP 63 Cb 0.20 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1uwo n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uwo n GLY 64 N 2.04 -0.39 0.00 0.44 0.00 -1.14 -5.05 105.19 101.09 1uwo n GLY 64 Ca -0.38 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 0.00 0.00 1.61 -0.08 -1.26 -4.98 116.55 111.84 1uwo n ASP 65 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1uwo n ASP 65 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 1.49 3.05 0.27 0.00 -1.26 -5.11 105.19 103.63 1uwo n GLY 66 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.05 1.94 0.67 1.61 2.02 -1.26 -4.39 118.70 119.24 1uwo s GLU 67 Ca 0.00 -0.49 -0.14 0.00 0.02 0.00 0.00 54.97 54.36 1uwo s GLU 67 Cb 0.00 -1.59 0.01 0.00 0.10 0.00 0.00 34.13 32.65 1uwo s GLU 67 CO 0.00 0.03 1.11 0.00 0.02 0.00 0.00 175.26 176.42 1uwo s ASP 69 N -2.67 2.83 0.07 0.00 -4.77 -1.26 -3.38 116.67 107.50 1uwo s ASP 69 Ca 0.66 -1.43 -0.24 0.00 -3.30 0.00 0.00 52.55 48.25 1uwo s ASP 69 Cb -0.20 -0.04 -0.16 0.00 -1.09 0.00 0.00 42.92 41.43 1uwo s ASP 69 CO 0.43 -0.63 1.66 0.15 0.70 0.00 0.00 175.17 177.48 1uwo h PHE 70 N 1.96 -0.05 -1.00 2.11 3.04 -1.97 0.96 116.94 121.98 1uwo h PHE 70 Ca -0.41 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 61.58 1uwo h PHE 70 Cb 1.25 0.02 -0.06 0.00 2.56 0.00 0.00 35.95 39.72 1uwo h PHE 70 CO 0.77 0.04 0.65 -0.56 -2.02 0.00 0.00 178.31 177.19 1uwo h GLN 71 N -0.13 1.21 0.00 1.11 3.07 -2.00 0.17 115.11 118.54 1uwo h GLN 71 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1uwo h GLN 71 Cb 0.11 -0.27 0.00 0.00 0.08 0.00 0.00 27.48 27.40 1uwo h GLN 71 CO 0.01 0.80 -0.04 -1.91 0.09 0.00 0.00 178.83 177.79 1uwo n GLU 72 N -4.46 0.12 0.04 0.06 2.13 -0.99 -2.62 120.64 114.93 1uwo n GLU 72 Ca 0.14 0.10 -0.13 0.00 0.66 0.00 0.00 57.16 57.93 1uwo n GLU 72 Cb 0.11 -1.64 -0.09 0.00 0.27 0.00 0.00 31.44 30.09 1uwo n GLU 72 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1uwo h PHE 73 N 0.00 -0.13 -0.29 4.31 3.57 0.40 0.54 116.94 125.35 1uwo h PHE 73 Ca 0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1uwo h PHE 73 Cb 0.61 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1uwo h PHE 73 CO 0.00 0.32 -0.20 0.52 -2.23 0.00 0.00 178.31 176.72 1uwo h MET 74 N -0.63 0.64 0.00 1.11 2.86 -1.53 -2.26 114.93 115.12 1uwo h MET 74 Ca -0.01 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1uwo h MET 74 Cb 0.50 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1uwo h MET 74 CO 0.02 0.90 -0.01 0.00 1.06 0.00 0.00 176.91 178.88 1uwo h ALA 75 N 0.73 1.01 0.48 6.32 0.00 -1.53 -0.83 119.26 125.44 1uwo h ALA 75 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1uwo h ALA 75 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1uwo h ALA 75 CO 0.05 0.01 -0.23 0.35 0.00 0.00 0.00 179.25 179.44 1uwo h PHE 76 N 0.00 -0.60 0.00 0.00 3.57 0.69 -1.53 116.94 119.07 1uwo h PHE 76 Ca -0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1uwo h PHE 76 Cb 0.38 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1uwo h PHE 76 CO 0.00 -0.29 -0.20 0.28 -2.23 0.00 0.00 178.31 175.87 1uwo h VAL 77 N -1.05 0.73 0.00 1.41 2.07 -1.36 -1.59 116.25 116.46 1uwo h VAL 77 Ca -0.07 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 1uwo h VAL 77 Cb 0.58 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1uwo h VAL 77 CO 0.11 0.20 -0.31 0.00 0.02 0.00 0.00 177.57 177.59 1uwo h ALA 78 N 1.80 1.22 -0.03 1.67 0.00 -1.02 -1.80 119.26 121.10 1uwo h ALA 78 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1uwo h ALA 78 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1uwo h ALA 78 CO 0.03 0.39 0.00 -1.33 0.00 0.00 0.00 179.25 178.33 1uwo n MET 79 N -3.78 0.00 0.10 0.00 2.00 -0.59 -1.76 117.12 113.10 1uwo n MET 79 Ca -0.01 0.39 0.17 0.00 0.00 0.00 0.00 57.70 58.25 1uwo n MET 79 Cb 0.40 -0.89 0.48 0.00 0.00 0.00 0.00 33.22 33.21 1uwo n MET 79 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 1uwo h VAL 80 N 0.00 0.09 0.00 2.03 -1.51 -1.57 2.85 116.25 118.14 1uwo h VAL 80 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.37 1uwo h VAL 80 Cb 0.00 0.28 -0.01 0.00 -2.13 0.00 0.00 31.29 29.43 1uwo h VAL 80 CO 0.00 0.00 -0.58 0.00 -1.23 0.00 0.00 177.57 175.76 1uwo h THR 81 N 0.00 1.03 0.00 7.19 1.03 -1.43 -3.31 112.91 117.42 1uwo h THR 81 Ca 0.21 -1.97 -0.22 0.00 -0.01 0.00 0.00 66.41 64.41 1uwo h THR 81 Cb 1.83 2.14 -0.03 0.00 -1.07 0.00 0.00 68.15 71.02 1uwo h THR 81 CO -0.00 0.35 -1.27 1.07 -0.01 0.00 0.00 175.52 175.65 1uwo n THR 82 N -4.56 1.52 -0.28 0.00 5.66 0.09 -2.87 114.28 113.85 1uwo n THR 82 Ca -0.18 -0.02 0.23 0.00 -3.05 0.00 0.00 64.05 61.03 1uwo n THR 82 Cb 0.49 -2.07 0.42 0.00 -1.55 0.00 0.00 70.33 67.61 1uwo n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1uwo n ALA 83 N -3.52 0.74 0.08 1.79 0.00 0.93 0.16 120.51 120.69 1uwo n ALA 83 Ca -0.31 0.88 -0.19 0.00 0.00 0.00 0.00 53.44 53.82 1uwo n ALA 83 Cb 0.65 -0.81 -0.15 0.00 0.00 0.00 0.00 19.45 19.15 1uwo n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uwo h HIS 85 N 0.09 0.00 0.15 0.00 2.76 0.18 -1.33 115.15 117.00 1uwo h HIS 85 Ca -0.25 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.58 1uwo h HIS 85 Cb 2.05 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 31.01 1uwo h HIS 85 CO 0.08 0.00 -1.72 0.93 -1.30 0.00 0.00 177.93 175.92 1uwo h GLU 86 N 0.00 0.32 0.09 5.26 4.39 -0.99 -2.82 114.58 120.83 1uwo h GLU 86 Ca 0.00 -0.55 0.01 0.00 0.34 0.00 0.00 59.36 59.15 1uwo h GLU 86 Cb 0.01 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1uwo h GLU 86 CO 0.00 1.22 -0.12 0.35 -1.16 0.00 0.00 179.01 179.30 1uwo h PHE 87 N 0.09 -0.31 0.06 4.33 3.04 -1.30 -3.30 116.94 119.55 1uwo h PHE 87 Ca -0.32 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.63 1uwo h PHE 87 Cb 2.07 0.12 0.00 0.00 2.56 0.00 0.00 35.95 40.70 1uwo h PHE 87 CO 0.08 -0.18 -0.03 0.35 -2.02 0.00 0.00 178.31 176.51 1uwo h PHE 88 N -0.25 -0.08 -3.60 0.41 3.57 -1.68 -3.43 116.94 111.88 1uwo h PHE 88 Ca 0.01 -0.00 -0.52 0.00 3.53 0.00 0.00 57.97 61.00 1uwo h PHE 88 Cb 0.25 0.03 0.02 0.00 2.79 0.00 0.00 35.95 39.04 1uwo h PHE 88 CO -0.14 -0.05 0.52 -2.00 -2.23 0.00 0.00 178.31 174.42 1uwo s GLU 89 N -2.31 4.54 0.01 1.11 -6.30 -1.06 -5.03 118.70 109.66 1uwo s GLU 89 Ca -0.01 1.84 0.04 0.00 -2.50 0.00 0.00 54.97 54.33 1uwo s GLU 89 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 34.13 30.89 1uwo s GLU 89 CO 0.04 0.02 -0.11 -3.38 0.02 0.00 0.00 175.26 171.84 1uwo s HIS 90 N -0.41 0.97 -1.40 5.30 -3.43 -1.26 -4.35 115.29 110.71 1uwo s HIS 90 Ca 0.50 -0.26 0.11 0.00 -0.80 0.00 0.00 55.06 54.61 1uwo s HIS 90 Cb -0.32 -0.60 0.09 0.00 -1.43 0.00 0.00 32.58 30.31 1uwo s HIS 90 CO 0.38 -0.00 0.86 -1.91 -2.00 0.00 0.00 174.74 172.06