#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 0.11 0.00 1.43 4.39 -2.03 -2.76 114.58 115.71 1uwo h GLU 2 Ca 0.00 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 1uwo h GLU 2 Cb 0.00 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1uwo h GLU 2 CO 0.00 0.51 -0.31 -0.07 -1.16 0.00 0.00 179.01 177.98 1uwo h LEU 3 N -0.30 0.00 0.75 1.33 3.38 -2.03 -2.48 115.31 115.95 1uwo h LEU 3 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1uwo h LEU 3 Cb 0.48 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.24 1uwo h LEU 3 CO 0.01 0.31 -0.36 -0.08 0.09 0.00 0.00 178.44 178.41 1uwo h GLU 4 N 0.00 -0.97 -0.60 1.13 4.22 -1.97 1.09 114.58 117.49 1uwo h GLU 4 Ca -0.00 0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.45 1uwo h GLU 4 Cb 1.19 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.64 1uwo h GLU 4 CO 0.04 -0.64 0.16 -0.22 -2.18 0.00 0.00 179.01 176.16 1uwo h LYS 5 N -1.07 0.96 0.00 1.92 3.64 -1.60 -1.16 116.57 119.25 1uwo h LYS 5 Ca -0.10 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1uwo h LYS 5 Cb 0.77 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1uwo h LYS 5 CO 0.17 0.87 0.00 0.00 -2.27 0.00 0.00 179.45 178.22 1uwo n ALA 6 N -2.41 1.73 -0.07 5.00 0.00 -0.93 -2.36 120.51 121.47 1uwo n ALA 6 Ca 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1uwo n ALA 6 Cb 0.23 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 1uwo n ALA 6 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1uwo h MET 7 N 0.00 0.00 -0.24 0.00 2.86 0.25 -2.15 114.93 115.66 1uwo h MET 7 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1uwo h MET 7 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1uwo h MET 7 CO 0.00 0.52 0.04 0.28 1.06 0.00 0.00 176.91 178.80 1uwo h VAL 8 N -1.00 1.13 0.14 -2.22 2.07 -1.45 -1.58 116.25 113.34 1uwo h VAL 8 Ca -0.04 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1uwo h VAL 8 Cb 0.60 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1uwo h VAL 8 CO -0.02 0.16 -0.07 0.00 0.02 0.00 0.00 177.57 177.66 1uwo h ALA 9 N 1.71 -0.39 -1.30 1.67 0.00 -1.58 -2.70 119.26 116.66 1uwo h ALA 9 Ca 0.08 -0.04 0.40 0.00 0.00 0.00 0.00 54.91 55.35 1uwo h ALA 9 Cb 0.17 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 1uwo h ALA 9 CO -0.00 -0.38 0.87 -0.07 0.00 0.00 0.00 179.25 179.67 1uwo h LEU 10 N -0.46 0.23 0.19 0.00 3.38 -1.38 0.36 115.31 117.62 1uwo h LEU 10 Ca -0.02 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1uwo h LEU 10 Cb 0.15 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1uwo h LEU 10 CO 0.03 -0.07 -0.09 0.40 0.09 0.00 0.00 178.44 178.80 1uwo h ILE 11 N 0.14 0.88 0.00 1.22 2.04 -1.29 -1.41 117.51 119.09 1uwo h ILE 11 Ca 0.74 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 66.25 1uwo h ILE 11 Cb 2.40 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 1uwo h ILE 11 CO -0.28 0.08 0.07 -0.78 0.00 0.00 0.00 178.15 177.24 1uwo h ASP 12 N -0.42 0.00 0.85 1.72 1.82 0.03 0.67 116.42 121.08 1uwo h ASP 12 Ca -0.03 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.38 1uwo h ASP 12 Cb 0.33 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.30 1uwo h ASP 12 CO 0.04 0.00 -1.22 0.58 -1.61 0.00 0.00 179.24 177.04 1uwo h VAL 13 N 0.00 1.40 -0.25 2.25 2.07 -0.51 -1.01 116.25 120.19 1uwo h VAL 13 Ca 0.00 -3.14 -0.13 0.00 0.82 0.00 0.00 66.70 64.25 1uwo h VAL 13 Cb 0.15 2.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1uwo h VAL 13 CO 0.00 0.80 -0.34 0.15 0.02 0.00 0.00 177.57 178.20 1uwo h PHE 14 N 0.00 0.82 0.11 1.57 3.57 0.13 -1.06 116.94 122.08 1uwo h PHE 14 Ca -0.10 -0.27 -0.27 0.00 3.53 0.00 0.00 57.97 60.87 1uwo h PHE 14 Cb 1.83 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 40.41 1uwo h PHE 14 CO 0.00 1.02 -1.22 0.45 -2.23 0.00 0.00 178.31 176.33 1uwo h HIS 15 N 0.39 0.41 0.51 0.41 3.86 -1.59 -2.35 115.15 116.79 1uwo h HIS 15 Ca 0.03 -0.30 -0.03 0.00 -1.16 0.00 0.00 60.37 58.92 1uwo h HIS 15 Cb 0.92 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.38 1uwo h HIS 15 CO 0.08 1.24 -0.25 0.37 0.86 0.00 0.00 177.93 180.23 1uwo h GLN 16 N 0.06 -0.66 -0.40 2.45 4.15 -1.18 0.66 115.11 120.18 1uwo h GLN 16 Ca -0.12 0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.39 1uwo h GLN 16 Cb 1.94 0.15 -0.04 0.00 0.21 0.00 0.00 27.48 29.74 1uwo h GLN 16 CO 0.19 -0.44 0.15 1.88 -1.93 0.00 0.00 178.83 178.68 1uwo h TYR 17 N -0.97 0.27 0.00 3.99 -1.99 -1.34 0.92 116.97 117.84 1uwo h TYR 17 Ca -0.07 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1uwo h TYR 17 Cb 0.53 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.20 1uwo h TYR 17 CO 0.03 0.11 0.00 0.66 -0.00 0.00 0.00 178.16 178.96 1uwo h SER 18 N 0.32 0.00 -0.37 3.88 4.64 -1.46 -2.18 113.55 118.37 1uwo h SER 18 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1uwo h SER 18 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1uwo h SER 18 CO -0.18 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.39 1uwo n GLY 19 N 0.01 1.70 0.13 -0.77 0.00 0.23 -2.59 105.19 103.89 1uwo n GLY 19 Ca 0.01 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 1uwo n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1uwo h ARG 20 N 2.36 0.19 -1.49 1.61 2.47 -1.07 -3.47 114.38 114.98 1uwo h ARG 20 Ca 0.00 -0.33 0.13 0.00 -1.26 0.00 0.00 59.98 58.51 1uwo h ARG 20 Cb 0.98 0.12 -0.22 0.00 -1.65 0.00 0.00 29.97 29.20 1uwo h ARG 20 CO 0.15 1.16 0.04 -1.21 0.56 0.00 0.00 179.97 180.67 1uwo s GLU 21 N -2.50 0.44 0.00 0.04 2.02 -1.26 -5.09 118.70 112.35 1uwo s GLU 21 Ca -0.24 1.09 0.00 0.00 0.02 0.00 0.00 54.97 55.85 1uwo s GLU 21 Cb 0.06 0.66 0.00 0.00 0.10 0.00 0.00 34.13 34.95 1uwo s GLU 21 CO 0.72 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 176.25 1uwo n GLY 22 N 5.22 0.51 0.15 -1.39 0.00 -1.26 -4.65 105.19 103.78 1uwo n GLY 22 Ca -0.10 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 1.09 -0.23 1.61 8.00 -1.26 -4.97 116.55 120.78 1uwo n ASP 23 Ca 0.00 -1.04 -0.03 0.00 0.71 0.00 0.00 54.79 54.43 1uwo n ASP 23 Cb 0.00 0.30 -0.01 0.00 -0.02 0.00 0.00 41.12 41.39 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 -0.12 -0.30 -0.04 -1.24 4.81 -1.07 -4.82 118.16 115.38 1uwo n LYS 24 Ca 0.02 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1uwo n LYS 24 Cb 0.12 -4.09 0.00 0.00 0.02 0.00 0.00 35.03 31.08 1uwo n LYS 24 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1uwo n HIS 25 N -2.87 0.00 -3.66 5.64 -0.00 -1.26 -4.57 115.22 108.51 1uwo n HIS 25 Ca -0.03 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.12 1uwo n HIS 25 Cb 0.12 0.01 -0.01 0.00 -0.12 0.00 0.00 29.99 29.99 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 0.00 0.82 0.33 1.57 0.00 -1.26 -4.75 119.74 116.44 1uwo s LYS 26 Ca 0.00 -0.42 0.06 0.00 0.00 0.00 0.00 55.97 55.61 1uwo s LYS 26 Cb 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 37.83 38.12 1uwo s LYS 26 CO 0.00 -0.37 0.45 -0.51 0.00 0.00 0.00 175.35 174.92 1uwo s LEU 27 N -2.80 3.98 -0.56 2.77 1.02 -1.25 -4.39 118.68 117.45 1uwo s LEU 27 Ca 0.11 -0.18 0.06 0.00 0.02 0.00 0.00 54.13 54.14 1uwo s LEU 27 Cb 0.01 -2.74 0.21 0.00 0.02 0.00 0.00 46.19 43.69 1uwo s LEU 27 CO -0.02 -0.40 0.55 2.29 0.02 0.00 0.00 176.35 178.79 1uwo n LYS 28 N -1.61 1.47 0.00 1.70 2.85 -1.26 -2.36 118.16 118.95 1uwo n LYS 28 Ca -0.01 -4.01 0.00 0.00 -1.05 0.00 0.00 58.31 53.24 1uwo n LYS 28 Cb 0.58 -1.92 0.00 0.00 -0.65 0.00 0.00 35.03 33.04 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 1.68 0.00 -0.28 -1.58 4.81 -1.26 -3.70 118.16 117.83 1uwo n LYS 29 Ca 0.25 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.74 1uwo n LYS 29 Cb 0.43 0.00 0.15 0.00 0.02 0.00 0.00 35.03 35.63 1uwo n LYS 29 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1uwo h SER 30 N 0.00 -0.51 -0.96 3.14 0.87 -2.00 0.57 113.55 114.66 1uwo h SER 30 Ca 0.00 0.22 0.09 0.00 -1.23 0.00 0.00 61.79 60.87 1uwo h SER 30 Cb 0.00 0.42 -0.07 0.00 -0.44 0.00 0.00 62.40 62.30 1uwo h SER 30 CO 0.00 -0.23 0.61 -0.33 -0.53 0.00 0.00 176.83 176.34 1uwo h GLU 31 N 0.05 1.01 0.00 2.24 4.39 -1.93 -1.80 114.58 118.54 1uwo h GLU 31 Ca 0.42 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 60.06 1uwo h GLU 31 Cb 0.73 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1uwo h GLU 31 CO -0.75 0.67 -0.00 -0.07 -1.16 0.00 0.00 179.01 177.69 1uwo h LEU 32 N 1.04 -0.00 -1.66 1.33 3.38 -0.16 -2.18 115.31 117.05 1uwo h LEU 32 Ca 0.45 0.00 0.40 0.00 0.09 0.00 0.00 57.88 58.82 1uwo h LEU 32 Cb 0.31 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1uwo h LEU 32 CO -0.22 -0.00 1.18 0.50 0.09 0.00 0.00 178.44 179.99 1uwo h LYS 33 N -0.00 0.00 0.30 1.13 3.64 -1.26 0.36 116.57 120.74 1uwo h LYS 33 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1uwo h LYS 33 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1uwo h LYS 33 CO 0.00 0.00 -0.14 0.93 -2.27 0.00 0.00 179.45 177.97 1uwo h GLU 34 N 0.00 -0.38 -0.92 1.90 3.07 -0.72 -1.33 114.58 116.20 1uwo h GLU 34 Ca 0.66 0.03 0.15 0.00 -0.50 0.00 0.00 59.36 59.70 1uwo h GLU 34 Cb 3.00 0.09 -0.08 0.00 -0.84 0.00 0.00 28.75 30.92 1uwo h GLU 34 CO -0.01 -0.07 0.59 -0.07 -1.40 0.00 0.00 179.01 178.05 1uwo h LEU 35 N -0.73 0.66 -0.52 1.33 3.38 0.21 0.41 115.31 120.06 1uwo h LEU 35 Ca -0.04 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1uwo h LEU 35 Cb 0.49 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1uwo h LEU 35 CO 0.07 0.32 -0.32 0.40 0.09 0.00 0.00 178.44 178.99 1uwo h ILE 36 N 0.69 1.28 -0.00 1.22 1.08 -1.32 -1.46 117.51 119.00 1uwo h ILE 36 Ca 0.47 -1.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.46 1uwo h ILE 36 Cb 0.78 1.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 1uwo h ILE 36 CO -0.23 0.49 -0.10 0.59 -0.69 0.00 0.00 178.15 178.22 1uwo n ASN 37 N -4.07 0.24 -0.01 1.72 5.03 0.03 -1.61 115.26 116.60 1uwo n ASN 37 Ca -0.01 -0.20 0.11 0.00 0.87 0.00 0.00 54.58 55.35 1uwo n ASN 37 Cb 0.50 -0.19 -0.15 0.00 -1.02 0.00 0.00 39.78 38.92 1uwo n ASN 37 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1uwo n ASN 38 N -1.22 0.20 -0.02 6.41 5.15 0.12 -3.98 115.26 121.92 1uwo n ASN 38 Ca 0.12 -0.16 -0.06 0.00 -0.60 0.00 0.00 54.58 53.87 1uwo n ASN 38 Cb 0.29 1.78 -0.02 0.00 -0.53 0.00 0.00 39.78 41.29 1uwo n ASN 38 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1uwo n GLU 39 N -2.14 0.24 0.15 1.20 2.13 -0.59 -4.77 120.64 116.86 1uwo n GLU 39 Ca -0.02 0.10 -0.14 0.00 0.66 0.00 0.00 57.16 57.76 1uwo n GLU 39 Cb 0.53 -0.92 -0.08 0.00 0.27 0.00 0.00 31.44 31.23 1uwo n GLU 39 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1uwo h LEU 40 N -0.45 -0.31 0.00 4.31 4.07 -1.50 -3.49 115.31 117.94 1uwo h LEU 40 Ca -0.08 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1uwo h LEU 40 Cb 0.65 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1uwo h LEU 40 CO -0.05 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 175.78 1uwo n SER 41 N -5.13 0.00 0.00 -0.43 3.41 -1.17 -4.89 113.62 105.41 1uwo n SER 41 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1uwo n SER 41 Cb 0.24 0.00 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 1.41 -0.16 0.00 0.00 175.04 176.29 1uwo n HIS 42 N 0.00 -0.03 -2.01 7.33 8.25 -1.26 -4.23 115.22 123.27 1uwo n HIS 42 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1uwo n HIS 42 Cb 0.00 0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 1uwo n HIS 42 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1uwo n PHE 43 N -1.68 0.00 0.00 4.41 1.16 -1.26 -4.63 117.46 115.45 1uwo n PHE 43 Ca 0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 57.45 55.50 1uwo n PHE 43 Cb 0.00 0.26 0.00 0.00 -1.61 0.00 0.00 39.48 38.13 1uwo n PHE 43 CO 0.00 0.00 0.00 1.47 -1.87 0.00 0.00 176.76 176.36 1uwo n LEU 44 N 0.01 0.00 0.00 5.98 -0.00 -1.26 -2.04 117.00 119.69 1uwo n LEU 44 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 1uwo n LEU 44 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1uwo n LEU 44 CO -0.02 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.75 1uwo n GLU 45 N 0.00 0.00 -2.55 1.47 -0.58 -1.26 -4.89 120.64 112.83 1uwo n GLU 45 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1uwo n GLU 45 Cb 0.00 -0.08 0.04 0.00 -0.57 0.00 0.00 31.44 30.83 1uwo n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1uwo n GLU 46 N -0.87 2.36 0.05 3.49 4.07 -1.12 -4.89 120.64 123.73 1uwo n GLU 46 Ca 0.00 -3.74 -0.11 0.00 -0.06 0.00 0.00 57.16 53.24 1uwo n GLU 46 Cb 0.00 -1.82 -0.06 0.00 -0.06 0.00 0.00 31.44 29.50 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 4.15 0.83 -1.12 6.31 2.04 -1.75 -1.10 117.51 126.87 1uwo h ILE 47 Ca 0.05 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.23 1uwo h ILE 47 Cb 1.33 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 1uwo h ILE 47 CO 0.42 0.00 1.21 0.07 0.00 0.00 0.00 178.15 179.85 1uwo h LYS 48 N -0.11 0.00 -1.35 2.37 2.10 -1.84 1.08 116.57 118.82 1uwo h LYS 48 Ca 0.03 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.13 1uwo h LYS 48 Cb 0.15 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 31.25 1uwo h LYS 48 CO -0.07 0.00 0.70 -1.91 -2.00 0.00 0.00 179.45 176.17 1uwo n GLU 49 N -3.35 2.37 -4.10 0.07 4.07 -0.42 -4.84 120.64 114.44 1uwo n GLU 49 Ca 0.25 -2.64 -0.29 0.00 -0.06 0.00 0.00 57.16 54.42 1uwo n GLU 49 Cb 1.54 -2.04 -0.04 0.00 -0.06 0.00 0.00 31.44 30.84 1uwo n GLU 49 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1uwo n GLN 50 N -0.30 -2.66 0.00 5.31 6.02 0.37 -4.89 117.38 121.22 1uwo n GLN 50 Ca 0.50 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.81 1uwo n GLN 50 Cb 0.58 -4.41 0.00 0.00 1.02 0.00 0.00 30.24 27.44 1uwo n GLN 50 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1uwo n GLU 51 N -4.43 0.00 0.04 -1.09 4.07 -1.02 -3.91 120.64 114.30 1uwo n GLU 51 Ca -0.24 0.24 0.11 0.00 -0.06 0.00 0.00 57.16 57.21 1uwo n GLU 51 Cb 0.65 -0.72 0.05 0.00 -0.06 0.00 0.00 31.44 31.36 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 -2.20 0.27 0.15 6.31 0.31 -1.26 -3.44 118.33 118.46 1uwo n VAL 52 Ca 0.00 -0.30 0.05 0.00 -0.01 0.00 0.00 64.34 64.08 1uwo n VAL 52 Cb 0.00 0.04 0.05 0.00 -0.91 0.00 0.00 33.84 33.02 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 0.56 0.00 2.52 2.07 -1.82 -1.45 116.25 118.14 1uwo h VAL 53 Ca 0.00 -1.82 -0.26 0.00 0.82 0.00 0.00 66.70 65.43 1uwo h VAL 53 Cb 0.78 2.22 -0.04 0.00 -1.52 0.00 0.00 31.29 32.73 1uwo h VAL 53 CO 0.00 0.32 -1.44 -0.78 0.02 0.00 0.00 177.57 175.69 1uwo h ASP 54 N 0.00 0.02 0.09 0.57 1.82 -1.68 -3.08 116.42 114.16 1uwo h ASP 54 Ca -0.02 -0.02 -0.17 0.00 -0.39 0.00 0.00 57.03 56.42 1uwo h ASP 54 Cb 1.29 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.30 1uwo h ASP 54 CO 0.04 1.02 -0.83 0.50 -1.61 0.00 0.00 179.24 178.36 1uwo h LYS 55 N 0.00 0.18 -0.66 0.28 3.64 -1.60 -3.34 116.57 115.08 1uwo h LYS 55 Ca -0.18 -0.31 0.03 0.00 -1.27 0.00 0.00 60.65 58.92 1uwo h LYS 55 Cb 1.92 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.82 1uwo h LYS 55 CO 0.10 1.15 0.40 -0.39 -2.27 0.00 0.00 179.45 178.44 1uwo h VAL 56 N -0.57 1.07 -1.00 2.00 -1.51 -1.42 -0.84 116.25 113.98 1uwo h VAL 56 Ca -0.17 -0.27 0.29 0.00 -1.23 0.00 0.00 66.70 65.32 1uwo h VAL 56 Cb 1.49 0.22 -0.04 0.00 -2.13 0.00 0.00 31.29 30.83 1uwo h VAL 56 CO 0.05 0.14 0.81 -0.03 -1.23 0.00 0.00 177.57 177.32 1uwo h MET 57 N 0.78 0.00 0.11 5.19 4.05 -1.65 0.50 114.93 123.90 1uwo h MET 57 Ca 0.27 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.40 1uwo h MET 57 Cb 0.04 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 1uwo h MET 57 CO -0.12 0.00 -1.38 1.05 0.23 0.00 0.00 176.91 176.69 1uwo h GLU 58 N 0.00 0.22 0.04 0.39 -0.00 -1.29 -3.24 114.58 110.71 1uwo h GLU 58 Ca 0.47 -0.38 -0.00 0.00 -0.00 0.00 0.00 59.36 59.45 1uwo h GLU 58 Cb 2.09 0.14 0.00 0.00 -0.00 0.00 0.00 28.75 30.98 1uwo h GLU 58 CO -0.00 1.11 -0.02 1.15 -0.00 0.00 0.00 179.01 181.25 1uwo h THR 59 N 0.06 0.00 -1.79 -1.06 2.02 0.03 -3.28 112.91 108.89 1uwo h THR 59 Ca -0.18 -0.47 0.54 0.00 0.77 0.00 0.00 66.41 67.06 1uwo h THR 59 Cb 1.98 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.29 1uwo h THR 59 CO 0.17 0.00 1.26 0.18 0.37 0.00 0.00 175.52 177.50 1uwo n LEU 60 N -3.48 0.05 -4.40 2.58 4.32 0.26 -4.37 117.00 111.97 1uwo n LEU 60 Ca -0.01 1.07 -0.50 0.00 -0.02 0.00 0.00 56.01 56.56 1uwo n LEU 60 Cb 0.02 -0.53 -0.11 0.00 -1.62 0.00 0.00 43.42 41.18 1uwo n LEU 60 CO 0.02 -1.10 1.94 -0.67 -1.22 0.00 0.00 177.39 176.35 1uwo n ASP 61 N -4.08 1.02 -0.27 -1.43 -0.08 -1.22 -4.18 116.55 106.30 1uwo n ASP 61 Ca 0.43 0.36 0.05 0.00 -1.51 0.00 0.00 54.79 54.11 1uwo n ASP 61 Cb 1.86 -1.04 0.14 0.00 2.34 0.00 0.00 41.12 44.43 1uwo n ASP 61 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 1uwo h ASN 62 N 11.60 -0.52 0.00 1.67 -0.73 -1.76 -3.39 115.58 122.45 1uwo h ASN 62 Ca -0.13 0.22 -0.01 0.00 1.87 0.00 0.00 56.30 58.25 1uwo h ASN 62 Cb 1.35 0.42 -0.01 0.00 0.27 0.00 0.00 38.32 40.35 1uwo h ASN 62 CO 1.18 -0.23 -0.02 -0.67 -0.37 0.00 0.00 177.43 177.32 1uwo n ASP 63 N -5.43 -0.07 -0.52 1.15 2.03 -1.26 -5.05 116.55 107.39 1uwo n ASP 63 Ca 0.13 -0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1uwo n ASP 63 Cb 0.47 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1uwo n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uwo n GLY 64 N -0.02 -1.12 0.00 0.27 0.00 -1.26 -5.04 105.19 98.02 1uwo n GLY 64 Ca -0.02 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -5.01 116.55 111.81 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 -0.47 1.77 2.71 0.27 0.00 -1.26 -5.10 105.19 103.11 1uwo n GLY 66 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1uwo n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1uwo s GLU 67 N -0.60 0.21 0.74 1.61 -1.05 -1.26 -4.55 118.70 113.80 1uwo s GLU 67 Ca 0.00 0.22 -0.12 0.00 -0.15 0.00 0.00 54.97 54.93 1uwo s GLU 67 Cb 0.00 -0.82 0.04 0.00 -0.44 0.00 0.00 34.13 32.91 1uwo s GLU 67 CO 0.00 -0.35 1.10 0.00 0.95 0.00 0.00 175.26 176.96 1uwo s ASP 69 N -3.18 4.12 0.07 0.00 1.11 -1.26 -3.96 116.67 113.57 1uwo s ASP 69 Ca 0.63 -1.34 -0.32 0.00 0.18 0.00 0.00 52.55 51.70 1uwo s ASP 69 Cb -0.18 -0.20 -0.19 0.00 1.07 0.00 0.00 42.92 43.43 1uwo s ASP 69 CO 0.52 -0.59 1.62 0.15 1.18 0.00 0.00 175.17 178.05 1uwo h PHE 70 N 1.54 -0.78 -0.36 4.23 3.04 -1.97 0.35 116.94 122.99 1uwo h PHE 70 Ca -0.43 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 61.58 1uwo h PHE 70 Cb 1.26 0.26 -0.02 0.00 2.56 0.00 0.00 35.95 40.01 1uwo h PHE 70 CO 0.87 -0.48 0.25 1.96 -2.02 0.00 0.00 178.31 178.89 1uwo h GLN 71 N -0.85 0.14 0.00 1.11 7.50 -2.00 0.22 115.11 121.22 1uwo h GLN 71 Ca -0.09 -0.01 -0.08 0.00 0.50 0.00 0.00 58.65 58.98 1uwo h GLN 71 Cb 0.65 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.14 1uwo h GLN 71 CO 0.14 0.09 -0.37 0.93 -1.50 0.00 0.00 178.83 178.12 1uwo h GLU 72 N 0.14 0.00 0.60 1.46 4.39 -1.74 -2.81 114.58 116.62 1uwo h GLU 72 Ca 0.17 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 1uwo h GLU 72 Cb 0.48 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1uwo h GLU 72 CO -0.02 0.37 -0.29 0.35 -1.16 0.00 0.00 179.01 178.26 1uwo h PHE 73 N 0.00 -0.75 -0.84 4.33 3.57 0.30 0.16 116.94 123.71 1uwo h PHE 73 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1uwo h PHE 73 Cb 1.25 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 40.19 1uwo h PHE 73 CO 0.00 -0.41 0.54 1.98 -2.23 0.00 0.00 178.31 178.19 1uwo h MET 74 N -1.07 1.11 0.00 1.11 4.05 -1.58 0.00 114.93 118.54 1uwo h MET 74 Ca -0.08 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.24 1uwo h MET 74 Cb 0.67 -0.25 -0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1uwo h MET 74 CO 0.14 0.75 -0.10 0.00 0.23 0.00 0.00 176.91 177.92 1uwo h ALA 75 N 1.30 1.43 0.40 0.39 0.00 -1.42 -0.66 119.26 120.71 1uwo h ALA 75 Ca 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1uwo h ALA 75 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1uwo h ALA 75 CO -0.06 0.13 -0.19 0.35 0.00 0.00 0.00 179.25 179.47 1uwo h PHE 76 N 0.00 -0.50 -0.06 0.00 3.57 0.13 -2.09 116.94 117.99 1uwo h PHE 76 Ca -0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.50 1uwo h PHE 76 Cb 0.25 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1uwo h PHE 76 CO 0.00 -0.31 0.07 0.28 -2.23 0.00 0.00 178.31 176.12 1uwo h VAL 77 N -0.79 0.51 -0.17 1.41 2.07 -1.39 0.22 116.25 118.13 1uwo h VAL 77 Ca -0.05 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 1uwo h VAL 77 Cb 0.41 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1uwo h VAL 77 CO 0.09 0.00 -0.35 0.00 0.02 0.00 0.00 177.57 177.33 1uwo h ALA 78 N 1.92 1.10 0.00 1.67 0.00 -0.98 -1.48 119.26 121.49 1uwo h ALA 78 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1uwo h ALA 78 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1uwo h ALA 78 CO -0.00 0.57 -0.02 0.52 0.00 0.00 0.00 179.25 180.33 1uwo h MET 79 N 0.29 0.00 -0.11 0.00 2.86 -0.25 -1.51 114.93 116.21 1uwo h MET 79 Ca 0.03 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1uwo h MET 79 Cb 0.76 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 1uwo h MET 79 CO 0.06 0.00 0.57 0.28 1.06 0.00 0.00 176.91 178.88 1uwo h VAL 80 N -0.19 0.05 0.00 -2.22 2.07 -1.53 2.72 116.25 117.15 1uwo h VAL 80 Ca 0.00 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 1uwo h VAL 80 Cb 0.02 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1uwo h VAL 80 CO 0.00 0.00 -1.00 0.00 0.02 0.00 0.00 177.57 176.59 1uwo h THR 81 N 0.00 1.11 0.00 2.57 1.03 -1.35 -3.34 112.91 112.92 1uwo h THR 81 Ca 0.05 -2.22 -0.09 0.00 -0.01 0.00 0.00 66.41 64.14 1uwo h THR 81 Cb 1.19 2.49 -0.01 0.00 -1.07 0.00 0.00 68.15 70.75 1uwo h THR 81 CO -0.00 0.39 -0.83 0.41 -0.01 0.00 0.00 175.52 175.48 1uwo n THR 82 N -4.45 1.46 -0.38 0.00 -1.04 -0.11 -3.65 114.28 106.11 1uwo n THR 82 Ca -0.27 0.12 0.31 0.00 -2.04 0.00 0.00 64.05 62.17 1uwo n THR 82 Cb 0.65 -2.26 0.50 0.00 -1.82 0.00 0.00 70.33 67.40 1uwo n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uwo n ALA 83 N -3.60 1.06 -0.06 2.41 0.00 0.90 0.16 120.51 121.38 1uwo n ALA 83 Ca -0.17 0.56 -0.14 0.00 0.00 0.00 0.00 53.44 53.69 1uwo n ALA 83 Cb 0.43 -0.75 -0.13 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.95 -1.04 0.00 0.00 2.76 0.15 0.20 115.15 116.26 1uwo h HIS 85 Ca -0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1uwo h HIS 85 Cb 0.94 0.44 0.00 0.00 1.55 0.00 0.00 27.41 30.33 1uwo h HIS 85 CO 0.26 -0.49 0.00 1.05 -1.30 0.00 0.00 177.93 177.45 1uwo h GLU 86 N -0.64 0.00 0.00 5.26 4.11 -1.38 -0.23 114.58 121.71 1uwo h GLU 86 Ca 0.02 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.30 1uwo h GLU 86 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1uwo h GLU 86 CO -0.19 0.00 -0.79 0.35 0.07 0.00 0.00 179.01 178.44 1uwo h PHE 87 N 0.00 0.00 0.00 2.06 3.57 -0.35 -3.39 116.94 118.84 1uwo h PHE 87 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1uwo h PHE 87 Cb 0.05 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1uwo h PHE 87 CO 0.00 0.66 0.00 0.34 -2.23 0.00 0.00 178.31 177.08 1uwo n PHE 88 N -3.21 0.00 -4.02 0.41 7.35 0.01 -4.90 117.46 113.10 1uwo n PHE 88 Ca -0.01 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.45 1uwo n PHE 88 Cb 0.81 -0.50 -0.06 0.00 0.35 0.00 0.00 39.48 40.08 1uwo n PHE 88 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 1uwo s GLU 89 N -1.25 2.33 -0.56 -4.13 -1.05 -1.10 -4.71 118.70 108.24 1uwo s GLU 89 Ca 0.00 -1.67 -0.03 0.00 -0.15 0.00 0.00 54.97 53.12 1uwo s GLU 89 Cb 0.00 -2.12 0.00 0.00 -0.44 0.00 0.00 34.13 31.57 1uwo s GLU 89 CO 0.00 -0.04 0.48 0.72 0.95 0.00 0.00 175.26 177.37 1uwo n HIS 90 N -1.25 -1.14 -0.37 4.83 8.25 -1.26 -4.46 115.22 119.81 1uwo n HIS 90 Ca -0.01 0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 1uwo n HIS 90 Cb 0.63 -2.92 0.00 0.00 1.12 0.00 0.00 29.99 28.82 1uwo n HIS 90 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37