#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 0.09 1.43 2.13 -1.26 -1.40 120.64 121.63 1uwo n GLU 2 Ca 0.00 0.46 -0.08 0.00 0.66 0.00 0.00 57.16 58.20 1uwo n GLU 2 Cb 0.00 -1.36 0.02 0.00 0.27 0.00 0.00 31.44 30.37 1uwo n GLU 2 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1uwo h LEU 3 N 0.00 0.23 0.98 4.31 -0.00 -2.05 -2.20 115.31 116.58 1uwo h LEU 3 Ca 0.00 -0.18 -0.05 0.00 -0.00 0.00 0.00 57.88 57.65 1uwo h LEU 3 Cb 0.00 -0.07 0.01 0.00 -0.00 0.00 0.00 40.66 40.60 1uwo h LEU 3 CO 0.00 0.96 -0.47 -0.08 -0.00 0.00 0.00 178.44 178.85 1uwo h GLU 4 N 0.11 -1.27 -0.04 1.13 4.22 -2.00 0.34 114.58 117.07 1uwo h GLU 4 Ca -0.03 0.09 -0.03 0.00 0.08 0.00 0.00 59.36 59.46 1uwo h GLU 4 Cb 1.43 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 1uwo h GLU 4 CO 0.12 -0.84 -0.13 -0.22 -2.18 0.00 0.00 179.01 175.76 1uwo h LYS 5 N -1.33 0.06 0.00 1.92 3.11 -1.33 -0.64 116.57 118.37 1uwo h LYS 5 Ca -0.13 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.69 1uwo h LYS 5 Cb 1.01 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.23 1uwo h LYS 5 CO 0.22 0.20 0.00 0.00 -2.81 0.00 0.00 179.45 177.06 1uwo h ALA 6 N 1.81 1.00 0.03 5.00 0.00 -1.04 -2.36 119.26 123.70 1uwo h ALA 6 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1uwo h ALA 6 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1uwo h ALA 6 CO 0.02 0.00 -0.28 1.98 0.00 0.00 0.00 179.25 180.97 1uwo h MET 7 N 0.00 0.06 0.00 0.00 1.85 0.13 -2.08 114.93 114.89 1uwo h MET 7 Ca 0.00 -0.10 -0.08 0.00 -0.61 0.00 0.00 59.70 58.91 1uwo h MET 7 Cb 0.70 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.75 1uwo h MET 7 CO 0.00 1.05 -0.40 0.28 -0.40 0.00 0.00 176.91 177.44 1uwo h VAL 8 N -0.87 1.25 0.00 -5.77 2.07 -1.52 -1.56 116.25 109.85 1uwo h VAL 8 Ca -0.06 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 1uwo h VAL 8 Cb 1.16 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1uwo h VAL 8 CO 0.01 0.39 -0.00 0.00 0.02 0.00 0.00 177.57 177.99 1uwo h ALA 9 N 1.60 -0.08 -0.79 1.67 0.00 -1.52 -2.19 119.26 117.96 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 0.72 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.38 1uwo h ALA 9 CO 0.05 -0.08 0.05 -0.07 0.00 0.00 0.00 179.25 179.21 1uwo h LEU 10 N -0.01 -0.29 -0.87 0.00 3.38 -1.48 0.48 115.31 116.53 1uwo h LEU 10 Ca -0.00 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1uwo h LEU 10 Cb 0.00 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1uwo h LEU 10 CO 0.00 -0.18 0.55 0.40 0.09 0.00 0.00 178.44 179.31 1uwo h ILE 11 N 0.12 1.23 0.00 1.22 2.04 -1.42 -0.17 117.51 120.53 1uwo h ILE 11 Ca 0.45 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1uwo h ILE 11 Cb 0.82 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1uwo h ILE 11 CO -0.67 0.23 -0.02 -0.78 0.00 0.00 0.00 178.15 176.91 1uwo h ASP 12 N 1.19 0.00 0.71 1.72 3.58 0.60 -1.65 116.42 122.57 1uwo h ASP 12 Ca 0.32 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.51 1uwo h ASP 12 Cb -0.10 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 1uwo h ASP 12 CO -0.06 0.02 -1.34 0.58 -2.88 0.00 0.00 179.24 175.56 1uwo h VAL 13 N 0.00 1.32 -0.27 2.25 2.07 0.04 -0.73 116.25 120.93 1uwo h VAL 13 Ca -0.00 -3.06 -0.07 0.00 0.82 0.00 0.00 66.70 64.39 1uwo h VAL 13 Cb 0.17 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1uwo h VAL 13 CO 0.00 0.79 -0.10 0.15 0.02 0.00 0.00 177.57 178.43 1uwo h PHE 14 N 0.02 0.62 0.22 1.57 3.57 -0.69 -0.89 116.94 121.36 1uwo h PHE 14 Ca -0.15 -0.15 -0.31 0.00 3.53 0.00 0.00 57.97 60.90 1uwo h PHE 14 Cb 1.90 -0.15 0.03 0.00 2.79 0.00 0.00 35.95 40.53 1uwo h PHE 14 CO 0.02 0.78 -1.37 0.45 -2.23 0.00 0.00 178.31 175.95 1uwo h HIS 15 N 0.28 0.85 0.85 0.41 3.86 -1.60 -2.34 115.15 117.46 1uwo h HIS 15 Ca 0.06 -0.62 -0.04 0.00 -1.16 0.00 0.00 60.37 58.61 1uwo h HIS 15 Cb 0.60 -0.03 0.01 0.00 1.06 0.00 0.00 27.41 29.05 1uwo h HIS 15 CO 0.06 1.53 -0.41 0.37 0.86 0.00 0.00 177.93 180.34 1uwo h GLN 16 N 0.01 -1.10 -0.08 2.45 4.15 -1.16 0.41 115.11 119.79 1uwo h GLN 16 Ca -0.25 0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.27 1uwo h GLN 16 Cb 2.04 0.25 -0.02 0.00 0.21 0.00 0.00 27.48 29.95 1uwo h GLN 16 CO 0.23 -0.73 -0.06 1.88 -1.93 0.00 0.00 178.83 178.22 1uwo h TYR 17 N -1.14 -0.16 0.00 3.99 -1.99 -1.32 0.39 116.97 116.75 1uwo h TYR 17 Ca -0.12 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.62 1uwo h TYR 17 Cb 0.87 0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.68 1uwo h TYR 17 CO 0.04 -0.10 0.00 1.03 -0.00 0.00 0.00 178.16 179.12 1uwo h SER 18 N -0.08 0.00 0.06 3.88 0.87 -1.37 -1.26 113.55 115.65 1uwo h SER 18 Ca 0.05 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 1uwo h SER 18 Cb 0.16 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1uwo h SER 18 CO -0.13 0.00 -0.16 1.23 -0.53 0.00 0.00 176.83 177.24 1uwo h GLY 19 N 0.26 0.22 0.92 5.77 0.00 0.21 -2.74 103.07 107.71 1uwo h GLY 19 Ca 0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 1uwo h GLY 19 CO 0.00 0.13 -0.29 3.21 0.00 0.00 0.00 176.54 179.59 1uwo h ARG 20 N 0.20 0.62 -5.62 4.80 2.47 -1.23 -3.43 114.38 112.18 1uwo h ARG 20 Ca 0.04 -0.35 -0.62 0.00 -1.26 0.00 0.00 59.98 57.79 1uwo h ARG 20 Cb 0.41 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.67 1uwo h ARG 20 CO 0.03 0.95 -0.36 -2.00 0.56 0.00 0.00 179.97 179.15 1uwo s GLU 21 N -4.25 3.94 3.11 0.04 2.56 -1.04 -4.95 118.70 118.12 1uwo s GLU 21 Ca -0.13 0.06 0.00 0.00 0.00 0.00 0.00 54.97 54.91 1uwo s GLU 21 Cb 0.08 -3.31 0.00 0.00 2.00 0.00 0.00 34.13 32.89 1uwo s GLU 21 CO 0.82 0.50 0.00 0.41 -0.56 0.00 0.00 175.26 176.42 1uwo n GLY 22 N 2.66 1.56 0.00 -1.50 0.00 -1.26 -4.13 105.19 102.53 1uwo n GLY 22 Ca -0.15 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1uwo n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uwo n ASP 23 N -1.97 0.00 0.00 1.61 8.00 -1.26 -4.83 116.55 118.10 1uwo n ASP 23 Ca 0.00 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1uwo n ASP 23 Cb 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 1uwo n ASP 23 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1uwo n LYS 24 N -1.32 0.00 0.00 -1.24 2.85 -1.22 -3.81 118.16 113.42 1uwo n LYS 24 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1uwo n LYS 24 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1uwo n LYS 24 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1uwo n HIS 25 N 0.00 0.00 -4.05 5.58 8.25 -1.26 -4.59 115.22 119.15 1uwo n HIS 25 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1uwo n HIS 25 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1uwo n HIS 25 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1uwo s LYS 26 N -1.30 1.47 -0.13 -0.41 0.00 -1.25 -4.54 119.74 113.57 1uwo s LYS 26 Ca 0.00 -1.34 0.02 0.00 0.00 0.00 0.00 55.97 54.64 1uwo s LYS 26 Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 37.83 38.25 1uwo s LYS 26 CO 0.00 -0.59 -0.19 -0.51 0.00 0.00 0.00 175.35 174.06 1uwo s LEU 27 N -3.05 2.31 0.61 2.77 1.43 -1.22 -4.43 118.68 117.10 1uwo s LEU 27 Ca 0.26 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.68 1uwo s LEU 27 Cb 0.01 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 1uwo s LEU 27 CO 0.10 0.11 1.12 -0.75 0.23 0.00 0.00 176.35 177.16 1uwo s LYS 28 N 0.63 3.04 0.47 1.70 2.20 -1.26 -2.19 119.74 124.34 1uwo s LYS 28 Ca -0.10 1.48 0.42 0.00 -0.36 0.00 0.00 55.97 57.41 1uwo s LYS 28 Cb -0.16 -1.97 1.48 0.00 -1.51 0.00 0.00 37.83 35.67 1uwo s LYS 28 CO 0.03 -1.07 1.35 0.36 -0.36 0.00 0.00 175.35 175.65 1uwo n LYS 29 N -1.94 -0.00 -0.03 4.03 2.85 -1.25 0.15 118.16 121.96 1uwo n LYS 29 Ca 0.11 0.95 -0.13 0.00 -1.05 0.00 0.00 58.31 58.19 1uwo n LYS 29 Cb 0.52 -2.16 -0.11 0.00 -0.65 0.00 0.00 35.03 32.63 1uwo n LYS 29 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1uwo h SER 30 N 0.00 -0.03 -0.81 -5.58 0.02 -1.94 -2.82 113.55 102.39 1uwo h SER 30 Ca 0.81 -0.68 0.17 0.00 -0.84 0.00 0.00 61.79 61.25 1uwo h SER 30 Cb 3.20 0.01 -0.11 0.00 0.14 0.00 0.00 62.40 65.64 1uwo h SER 30 CO -0.04 0.70 0.33 -0.33 -1.14 0.00 0.00 176.83 176.34 1uwo h GLU 31 N -0.78 0.41 0.23 3.45 3.07 0.10 -1.55 114.58 119.52 1uwo h GLU 31 Ca -0.00 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1uwo h GLU 31 Cb 0.70 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1uwo h GLU 31 CO 0.01 0.27 -0.16 -0.07 -1.40 0.00 0.00 179.01 177.65 1uwo h LEU 32 N 0.42 -0.41 -1.86 1.33 3.38 -1.41 -1.58 115.31 115.17 1uwo h LEU 32 Ca 0.47 0.03 0.52 0.00 0.09 0.00 0.00 57.88 58.99 1uwo h LEU 32 Cb 0.79 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.58 1uwo h LEU 32 CO -0.46 -0.24 1.24 0.11 0.09 0.00 0.00 178.44 179.18 1uwo h LYS 33 N -0.37 0.01 0.11 1.13 1.57 -1.14 -0.54 116.57 117.34 1uwo h LYS 33 Ca -0.03 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1uwo h LYS 33 Cb 0.30 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1uwo h LYS 33 CO 0.02 0.01 -0.05 0.93 -0.57 0.00 0.00 179.45 179.79 1uwo h GLU 34 N 0.01 -0.14 -0.90 3.15 3.07 -0.32 -2.21 114.58 117.24 1uwo h GLU 34 Ca 0.88 0.01 0.25 0.00 -0.50 0.00 0.00 59.36 60.00 1uwo h GLU 34 Cb 3.36 0.03 -0.15 0.00 -0.84 0.00 0.00 28.75 31.15 1uwo h GLU 34 CO -0.11 -0.09 0.20 -0.07 -1.40 0.00 0.00 179.01 177.54 1uwo h LEU 35 N -0.18 -0.10 -0.46 1.33 -0.00 -0.73 0.44 115.31 115.62 1uwo h LEU 35 Ca -0.02 0.22 0.08 0.00 -0.00 0.00 0.00 57.88 58.17 1uwo h LEU 35 Cb 0.11 0.32 -0.07 0.00 -0.00 0.00 0.00 40.66 41.02 1uwo h LEU 35 CO 0.02 -0.22 0.05 0.40 -0.00 0.00 0.00 178.44 178.70 1uwo h ILE 36 N 0.14 0.70 0.08 1.22 5.03 -1.32 -0.83 117.51 122.55 1uwo h ILE 36 Ca 0.58 -0.06 -0.00 0.00 -0.12 0.00 0.00 64.86 65.25 1uwo h ILE 36 Cb 1.20 0.51 0.00 0.00 -3.03 0.00 0.00 36.82 35.50 1uwo h ILE 36 CO -0.72 0.03 -0.04 0.78 -0.68 0.00 0.00 178.15 177.52 1uwo h ASN 37 N 0.18 -0.10 0.00 1.72 -0.26 0.43 0.25 115.58 117.80 1uwo h ASN 37 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 1uwo h ASN 37 Cb 0.32 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1uwo h ASN 37 CO -0.33 0.03 0.00 0.59 -1.06 0.00 0.00 177.43 176.65 1uwo n ASN 38 N -2.84 0.00 0.06 5.81 5.03 -0.00 0.99 115.26 124.30 1uwo n ASN 38 Ca -0.01 0.98 -0.13 0.00 0.87 0.00 0.00 54.58 56.28 1uwo n ASN 38 Cb 0.04 -0.48 -0.09 0.00 -1.02 0.00 0.00 39.78 38.24 1uwo n ASN 38 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1uwo h GLU 39 N 0.00 -0.15 -2.72 3.52 4.81 -1.34 -3.29 114.58 115.41 1uwo h GLU 39 Ca 0.00 0.01 -0.80 0.00 -0.13 0.00 0.00 59.36 58.44 1uwo h GLU 39 Cb 0.00 0.03 -0.25 0.00 0.63 0.00 0.00 28.75 29.16 1uwo h GLU 39 CO 0.00 0.21 1.13 1.28 -0.73 0.00 0.00 179.01 180.90 1uwo n LEU 40 N -4.99 6.91 -0.78 1.64 4.32 0.88 -4.64 117.00 120.35 1uwo n LEU 40 Ca -0.09 -5.19 0.12 0.00 -0.02 0.00 0.00 56.01 50.83 1uwo n LEU 40 Cb 0.22 -1.26 0.30 0.00 -1.62 0.00 0.00 43.42 41.06 1uwo n LEU 40 CO 0.32 1.81 0.74 -1.54 -1.22 0.00 0.00 177.39 177.50 1uwo n SER 41 N 1.13 2.40 -0.00 -1.43 3.41 0.28 -3.01 113.62 116.39 1uwo n SER 41 Ca 0.37 -1.80 -0.00 0.00 -0.26 0.00 0.00 58.87 57.18 1uwo n SER 41 Cb 0.30 -0.06 -0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1uwo n SER 41 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1uwo h HIS 42 N 3.54 -0.01 -0.68 7.33 6.17 -1.82 -3.13 115.15 126.55 1uwo h HIS 42 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1uwo h HIS 42 Cb 0.76 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.69 1uwo h HIS 42 CO 0.06 -0.01 0.00 1.19 0.71 0.00 0.00 177.93 179.88 1uwo n PHE 43 N -2.46 1.21 -2.41 5.26 3.72 -1.26 -4.29 117.46 117.22 1uwo n PHE 43 Ca -0.00 -0.56 0.00 0.00 -0.05 0.00 0.00 57.45 56.84 1uwo n PHE 43 Cb 0.00 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 1uwo n PHE 43 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1uwo n LEU 44 N 1.35 0.38 0.00 4.37 4.32 -1.17 -4.79 117.00 121.47 1uwo n LEU 44 Ca 0.25 -2.18 0.00 0.00 -0.02 0.00 0.00 56.01 54.05 1uwo n LEU 44 Cb 0.75 0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.61 1uwo n LEU 44 CO 0.20 0.90 0.37 1.21 -1.22 0.00 0.00 177.39 178.85 1uwo n GLU 45 N 0.12 0.00 -0.81 3.23 4.07 -1.18 -3.11 120.64 122.96 1uwo n GLU 45 Ca -0.04 0.65 -0.04 0.00 -0.06 0.00 0.00 57.16 57.67 1uwo n GLU 45 Cb 0.97 -1.25 0.20 0.00 -0.06 0.00 0.00 31.44 31.30 1uwo n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1uwo n GLU 46 N -1.85 1.81 -2.42 5.31 0.00 -1.26 -4.31 120.64 117.91 1uwo n GLU 46 Ca 0.00 -3.21 -0.01 0.00 0.00 0.00 0.00 57.16 53.93 1uwo n GLU 46 Cb 0.00 -1.81 -0.01 0.00 0.00 0.00 0.00 31.44 29.62 1uwo n GLU 46 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1uwo n ILE 47 N -1.13-10.80 -0.31 6.31 5.41 -1.18 -4.54 119.36 113.11 1uwo n ILE 47 Ca 0.33 2.48 0.35 0.00 1.00 0.00 0.00 62.75 66.90 1uwo n ILE 47 Cb 1.02 -5.39 0.63 0.00 -0.71 0.00 0.00 39.64 35.18 1uwo n ILE 47 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1uwo h LYS 48 N 4.28 0.00 0.00 0.38 -0.00 -1.91 -3.36 116.57 115.97 1uwo h LYS 48 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.50 1uwo h LYS 48 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.56 1uwo h LYS 48 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 179.45 179.84 1uwo n GLU 49 N -3.61 0.00 -3.83 0.07 -0.58 -1.26 -4.95 120.64 106.48 1uwo n GLU 49 Ca 0.27 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.77 1uwo n GLU 49 Cb 1.49 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 32.37 1uwo n GLU 49 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1uwo n GLN 50 N 0.00 -4.33 0.00 3.49 1.13 -1.26 -4.92 117.38 111.49 1uwo n GLN 50 Ca 0.00 0.53 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 1uwo n GLN 50 Cb 0.00 -4.97 0.00 0.00 0.11 0.00 0.00 30.24 25.38 1uwo n GLN 50 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1uwo n GLU 51 N -4.36 0.00 0.09 -1.09 2.13 -1.26 -3.62 120.64 112.54 1uwo n GLU 51 Ca -0.26 0.31 0.07 0.00 0.66 0.00 0.00 57.16 57.93 1uwo n GLU 51 Cb 0.66 -0.81 -0.01 0.00 0.27 0.00 0.00 31.44 31.55 1uwo n GLU 51 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1uwo h VAL 52 N 0.00 0.25 0.00 6.31 2.07 -1.98 -3.13 116.25 119.77 1uwo h VAL 52 Ca 0.00 -1.45 -0.20 0.00 0.82 0.00 0.00 66.70 65.88 1uwo h VAL 52 Cb 0.00 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1uwo h VAL 52 CO 0.00 0.14 -0.94 0.58 0.02 0.00 0.00 177.57 177.37 1uwo h VAL 53 N 0.00 1.67 0.01 2.57 2.07 -1.97 -0.71 116.25 119.89 1uwo h VAL 53 Ca -0.06 -3.22 -0.02 0.00 0.82 0.00 0.00 66.70 64.22 1uwo h VAL 53 Cb 1.23 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1uwo h VAL 53 CO 0.02 0.92 -0.08 -0.78 0.02 0.00 0.00 177.57 177.67 1uwo h ASP 54 N 0.00 0.06 0.02 0.57 3.58 -1.66 -1.16 116.42 117.83 1uwo h ASP 54 Ca -0.01 -0.85 -0.00 0.00 0.42 0.00 0.00 57.03 56.59 1uwo h ASP 54 Cb 1.67 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.70 1uwo h ASP 54 CO 0.12 0.91 -0.01 0.50 -2.88 0.00 0.00 179.24 177.88 1uwo h LYS 55 N -0.77 -0.03 -0.14 0.28 3.64 -1.64 -3.08 116.57 114.82 1uwo h LYS 55 Ca -0.01 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1uwo h LYS 55 Cb 0.92 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1uwo h LYS 55 CO 0.02 0.40 0.02 -0.24 -2.27 0.00 0.00 179.45 177.39 1uwo h VAL 56 N -0.46 0.94 -0.97 2.00 3.04 -1.26 -2.06 116.25 117.48 1uwo h VAL 56 Ca -0.00 -0.03 0.30 0.00 -1.01 0.00 0.00 66.70 65.96 1uwo h VAL 56 Cb 0.44 0.85 -0.17 0.00 -2.01 0.00 0.00 31.29 30.40 1uwo h VAL 56 CO 0.00 0.02 0.21 -0.03 -1.01 0.00 0.00 177.57 176.76 1uwo h MET 57 N 0.08 0.06 -0.30 4.17 1.85 -1.20 0.79 114.93 120.38 1uwo h MET 57 Ca 0.06 -0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.19 1uwo h MET 57 Cb 0.06 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.04 1uwo h MET 57 CO -0.08 0.04 0.09 0.93 -0.40 0.00 0.00 176.91 177.48 1uwo h GLU 58 N 0.06 0.20 0.00 0.39 5.08 -1.28 0.04 114.58 119.07 1uwo h GLU 58 Ca 0.65 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 59.00 1uwo h GLU 58 Cb 1.47 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1uwo h GLU 58 CO -0.82 0.14 0.00 -2.37 -1.00 0.00 0.00 179.01 174.96 1uwo n THR 59 N -5.05 0.37 1.48 1.13 5.66 0.24 -2.63 114.28 115.48 1uwo n THR 59 Ca -0.00 0.09 0.11 0.00 -3.05 0.00 0.00 64.05 61.21 1uwo n THR 59 Cb 0.12 -0.69 0.48 0.00 -1.55 0.00 0.00 70.33 68.70 1uwo n THR 59 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1uwo n LEU 60 N -1.49 1.20 -4.60 1.09 4.77 0.84 -4.79 117.00 114.03 1uwo n LEU 60 Ca 0.06 -0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 55.14 1uwo n LEU 60 Cb 0.27 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1uwo n LEU 60 CO 0.22 0.24 0.68 1.51 -1.33 0.00 0.00 177.39 178.70 1uwo s ASP 61 N -1.70 6.63 0.64 -1.43 -4.77 -1.08 -3.61 116.67 111.36 1uwo s ASP 61 Ca 0.34 0.51 0.28 0.00 -3.30 0.00 0.00 52.55 50.38 1uwo s ASP 61 Cb 0.18 -2.44 1.51 0.00 -1.09 0.00 0.00 42.92 41.08 1uwo s ASP 61 CO 0.28 -0.79 1.87 -1.13 0.70 0.00 0.00 175.17 176.10 1uwo h ASN 62 N 8.44 0.00 0.00 2.11 -1.24 -1.75 -3.33 115.58 119.81 1uwo h ASN 62 Ca -0.24 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.77 1uwo h ASN 62 Cb 1.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.14 1uwo h ASN 62 CO 0.95 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 177.56 1uwo n ASP 63 N -3.15 0.00 -1.64 1.15 8.00 -1.26 -5.04 116.55 114.60 1uwo n ASP 63 Ca 0.02 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.51 1uwo n ASP 63 Cb 0.50 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.60 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 0.00 -3.01 0.00 0.44 0.00 -1.25 -4.99 105.19 96.38 1uwo n GLY 64 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1uwo n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uwo n ASP 65 N 0.09 0.00 0.00 1.61 8.00 -1.26 -4.98 116.55 120.01 1uwo n ASP 65 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1uwo n ASP 65 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1uwo n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uwo n GLY 66 N 0.00 2.58 3.58 0.44 0.00 -1.26 -4.95 105.19 105.58 1uwo n GLY 66 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.38 3.18 0.70 1.61 0.41 -1.26 -3.89 118.70 119.07 1uwo s GLU 67 Ca 0.00 1.08 -0.13 0.00 -0.41 0.00 0.00 54.97 55.51 1uwo s GLU 67 Cb 0.00 -4.22 0.02 0.00 -1.78 0.00 0.00 34.13 28.15 1uwo s GLU 67 CO 0.00 -2.05 1.10 0.00 -0.49 0.00 0.00 175.26 173.82 1uwo s ASP 69 N -2.93 4.12 0.10 0.00 2.15 -1.26 -3.36 116.67 115.49 1uwo s ASP 69 Ca 0.64 -1.30 -0.23 0.00 0.43 0.00 0.00 52.55 52.10 1uwo s ASP 69 Cb -0.19 -0.29 -0.11 0.00 -0.30 0.00 0.00 42.92 42.02 1uwo s ASP 69 CO 0.47 -0.55 1.72 0.15 -0.17 0.00 0.00 175.17 176.80 1uwo h PHE 70 N 1.57 -0.07 -0.99 -5.34 3.04 -1.97 0.46 116.94 113.63 1uwo h PHE 70 Ca -0.43 0.00 0.07 0.00 3.98 0.00 0.00 57.97 61.60 1uwo h PHE 70 Cb 1.25 0.04 -0.07 0.00 2.56 0.00 0.00 35.95 39.73 1uwo h PHE 70 CO 0.80 -0.05 0.63 1.96 -2.02 0.00 0.00 178.31 179.63 1uwo h GLN 71 N -0.04 1.09 0.00 1.11 7.50 -1.99 0.17 115.11 122.96 1uwo h GLN 71 Ca 0.03 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1uwo h GLN 71 Cb 0.07 -0.25 0.00 0.00 0.05 0.00 0.00 27.48 27.36 1uwo h GLN 71 CO -0.06 0.72 0.00 0.93 -1.50 0.00 0.00 178.83 178.93 1uwo h GLU 72 N 1.13 0.00 -0.01 1.46 5.08 -1.73 -2.82 114.58 117.68 1uwo h GLU 72 Ca 0.44 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1uwo h GLU 72 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1uwo h GLU 72 CO -0.19 0.00 -0.03 0.35 -1.00 0.00 0.00 179.01 178.15 1uwo h PHE 73 N 0.00 0.05 0.31 4.33 3.57 0.29 0.26 116.94 125.75 1uwo h PHE 73 Ca 0.00 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1uwo h PHE 73 Cb 0.71 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.45 1uwo h PHE 73 CO 0.00 0.61 -0.15 0.52 -2.23 0.00 0.00 178.31 177.06 1uwo h MET 74 N -0.52 -0.40 0.00 1.11 2.86 -1.46 -2.55 114.93 113.97 1uwo h MET 74 Ca 0.00 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1uwo h MET 74 Cb 0.60 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 1uwo h MET 74 CO 0.01 -0.09 -0.02 0.00 1.06 0.00 0.00 176.91 177.86 1uwo h ALA 75 N -0.15 1.60 0.17 6.32 0.00 -1.59 -0.17 119.26 125.43 1uwo h ALA 75 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1uwo h ALA 75 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1uwo h ALA 75 CO 0.07 0.02 -0.09 0.35 0.00 0.00 0.00 179.25 179.61 1uwo h PHE 76 N 0.00 -0.23 0.00 0.00 3.57 -0.07 0.04 116.94 120.25 1uwo h PHE 76 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1uwo h PHE 76 Cb 0.05 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 1uwo h PHE 76 CO 0.00 -0.14 -0.01 0.28 -2.23 0.00 0.00 178.31 176.22 1uwo h VAL 77 N -0.23 0.06 -0.04 1.41 2.07 -1.34 -0.62 116.25 117.56 1uwo h VAL 77 Ca -0.02 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 1uwo h VAL 77 Cb 0.18 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1uwo h VAL 77 CO 0.03 0.01 -0.45 0.00 0.02 0.00 0.00 177.57 177.18 1uwo h ALA 78 N 1.99 1.19 0.00 1.67 0.00 -0.48 -1.46 119.26 122.17 1uwo h ALA 78 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1uwo h ALA 78 Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1uwo h ALA 78 CO 0.00 0.58 -0.07 0.52 0.00 0.00 0.00 179.25 180.29 1uwo h MET 79 N 0.07 0.00 -0.31 0.00 2.86 0.60 -1.17 114.93 116.98 1uwo h MET 79 Ca 0.00 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 1uwo h MET 79 Cb 0.82 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1uwo h MET 79 CO 0.06 0.00 0.66 0.28 1.06 0.00 0.00 176.91 178.97 1uwo h VAL 80 N -0.25 0.11 0.00 -2.22 2.07 -1.59 2.83 116.25 117.19 1uwo h VAL 80 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1uwo h VAL 80 Cb 0.07 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1uwo h VAL 80 CO 0.00 0.00 -0.23 0.74 0.02 0.00 0.00 177.57 178.10 1uwo h THR 81 N 0.00 0.00 0.00 2.57 2.02 -1.37 -3.32 112.91 112.81 1uwo h THR 81 Ca 0.15 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 1uwo h THR 81 Cb 1.47 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1uwo h THR 81 CO -0.00 0.00 -0.02 0.74 0.37 0.00 0.00 175.52 176.60 1uwo h THR 82 N -0.89 0.84 -0.77 3.16 2.02 0.04 -3.20 112.91 114.11 1uwo h THR 82 Ca 0.00 -1.64 0.29 0.00 0.77 0.00 0.00 66.41 65.83 1uwo h THR 82 Cb 0.23 1.59 -0.14 0.00 -1.74 0.00 0.00 68.15 68.09 1uwo h THR 82 CO 0.00 0.28 0.29 0.00 0.37 0.00 0.00 175.52 176.46 1uwo n ALA 83 N -2.72 0.66 0.24 6.16 0.00 0.93 0.19 120.51 125.98 1uwo n ALA 83 Ca -0.05 0.79 -0.12 0.00 0.00 0.00 0.00 53.44 54.07 1uwo n ALA 83 Cb 0.23 -0.72 -0.06 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 h HIS 85 N -1.12 -0.98 -1.04 0.00 2.76 -0.24 0.56 115.15 115.09 1uwo h HIS 85 Ca -0.07 0.05 0.27 0.00 -2.20 0.00 0.00 60.37 58.42 1uwo h HIS 85 Cb 0.56 0.47 -0.09 0.00 1.55 0.00 0.00 27.41 29.90 1uwo h HIS 85 CO 0.01 -0.26 0.67 1.49 -1.30 0.00 0.00 177.93 178.54 1uwo h GLU 86 N -0.17 0.37 -0.30 5.26 4.22 -1.36 0.15 114.58 122.74 1uwo h GLU 86 Ca 0.05 -0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.50 1uwo h GLU 86 Cb 0.31 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1uwo h GLU 86 CO -0.38 0.24 0.13 0.74 -2.18 0.00 0.00 179.01 177.56 1uwo h PHE 87 N 0.38 0.23 -0.56 0.92 -1.00 0.90 -1.59 116.94 116.21 1uwo h PHE 87 Ca 0.59 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 61.37 1uwo h PHE 87 Cb 1.52 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 40.99 1uwo h PHE 87 CO -0.00 0.12 0.32 0.74 -1.61 0.00 0.00 178.31 177.87 1uwo h PHE 88 N 0.28 0.75 -0.42 -0.55 0.04 0.37 -3.48 116.94 113.92 1uwo h PHE 88 Ca 0.13 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1uwo h PHE 88 Cb 0.08 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.98 1uwo h PHE 88 CO -0.12 0.52 0.00 -1.91 -0.60 0.00 0.00 178.31 176.20 1uwo n GLU 89 N -4.40 0.00 -2.81 1.51 2.13 -0.60 -4.70 120.64 111.77 1uwo n GLU 89 Ca 0.05 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.77 1uwo n GLU 89 Cb 0.09 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.85 1uwo n GLU 89 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1uwo n HIS 90 N -0.28 -0.84 -0.36 4.31 -0.00 -1.26 -4.96 115.22 111.84 1uwo n HIS 90 Ca 0.00 -2.67 0.00 0.00 0.46 0.00 0.00 57.72 55.51 1uwo n HIS 90 Cb 0.00 0.54 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 1uwo n HIS 90 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89