#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 0.26 1.43 4.07 -1.26 -2.02 120.64 123.11 1uwo n GLU 2 Ca 0.00 0.03 0.13 0.00 -0.06 0.00 0.00 57.16 57.26 1uwo n GLU 2 Cb 0.00 -0.82 0.66 0.00 -0.06 0.00 0.00 31.44 31.22 1uwo n GLU 2 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1uwo h LEU 3 N 0.00 0.00 0.78 4.31 4.07 -2.05 -2.45 115.31 119.97 1uwo h LEU 3 Ca 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 1uwo h LEU 3 Cb 0.00 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.75 1uwo h LEU 3 CO 0.00 0.12 -0.37 -0.08 -1.08 0.00 0.00 178.44 177.03 1uwo h GLU 4 N 0.00 -1.01 0.00 1.13 4.22 -2.00 0.90 114.58 117.82 1uwo h GLU 4 Ca -0.00 0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.50 1uwo h GLU 4 Cb 0.50 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1uwo h GLU 4 CO 0.02 -0.67 -0.04 -0.22 -2.18 0.00 0.00 179.01 175.92 1uwo h LYS 5 N -1.20 0.00 0.00 1.92 3.64 -1.38 0.00 116.57 119.56 1uwo h LYS 5 Ca -0.11 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 1uwo h LYS 5 Cb 0.80 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1uwo h LYS 5 CO 0.18 0.04 -0.38 0.00 -2.27 0.00 0.00 179.45 177.01 1uwo h ALA 6 N 1.96 1.04 -0.02 5.00 0.00 -1.16 -2.64 119.26 123.45 1uwo h ALA 6 Ca -0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 54.91 54.31 1uwo h ALA 6 Cb 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1uwo h ALA 6 CO 0.00 0.48 -0.99 1.98 0.00 0.00 0.00 179.25 180.73 1uwo h MET 7 N 0.00 0.63 -0.61 0.00 1.85 0.12 -1.48 114.93 115.44 1uwo h MET 7 Ca -0.00 -0.65 -0.09 0.00 -0.61 0.00 0.00 59.70 58.34 1uwo h MET 7 Cb 0.87 0.18 -0.02 0.00 0.43 0.00 0.00 31.60 33.05 1uwo h MET 7 CO 0.05 1.26 0.02 0.28 -0.40 0.00 0.00 176.91 178.12 1uwo h VAL 8 N 0.36 1.26 0.26 -5.77 2.07 -1.33 -1.50 116.25 111.60 1uwo h VAL 8 Ca -0.11 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1uwo h VAL 8 Cb 1.63 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1uwo h VAL 8 CO 0.19 0.41 -0.12 0.00 0.02 0.00 0.00 177.57 178.06 1uwo h ALA 9 N 1.05 -0.45 -0.93 1.67 0.00 -1.49 -2.74 119.26 116.38 1uwo h ALA 9 Ca 0.18 -0.08 0.27 0.00 0.00 0.00 0.00 54.91 55.28 1uwo h ALA 9 Cb 0.52 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.29 1uwo h ALA 9 CO 0.03 -0.43 0.28 -0.07 0.00 0.00 0.00 179.25 179.06 1uwo h LEU 10 N -0.80 0.04 0.15 0.00 3.38 -1.34 0.23 115.31 116.97 1uwo h LEU 10 Ca -0.04 0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1uwo h LEU 10 Cb 0.27 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1uwo h LEU 10 CO 0.06 -0.21 -0.21 0.40 0.09 0.00 0.00 178.44 178.57 1uwo h ILE 11 N 0.18 0.53 -0.15 1.22 2.04 -1.31 0.11 117.51 120.13 1uwo h ILE 11 Ca 0.61 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.52 1uwo h ILE 11 Cb 1.32 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1uwo h ILE 11 CO -0.70 0.00 0.31 -0.78 0.00 0.00 0.00 178.15 176.98 1uwo h ASP 12 N -0.42 0.00 0.63 1.72 3.58 -0.24 0.23 116.42 121.92 1uwo h ASP 12 Ca 0.02 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.19 1uwo h ASP 12 Cb 0.42 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1uwo h ASP 12 CO -0.09 0.00 -1.34 0.58 -2.88 0.00 0.00 179.24 175.51 1uwo h VAL 13 N 0.00 1.36 -0.21 2.25 2.07 -0.00 -0.62 116.25 121.10 1uwo h VAL 13 Ca 0.07 -3.01 -0.01 0.00 0.82 0.00 0.00 66.70 64.57 1uwo h VAL 13 Cb 0.69 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 1uwo h VAL 13 CO -0.00 0.85 0.08 0.15 0.02 0.00 0.00 177.57 178.67 1uwo h PHE 14 N 0.05 0.31 0.09 1.57 3.57 0.97 -0.62 116.94 122.89 1uwo h PHE 14 Ca -0.16 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.18 1uwo h PHE 14 Cb 1.95 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 40.61 1uwo h PHE 14 CO 0.04 0.35 -0.62 1.25 -2.23 0.00 0.00 178.31 177.11 1uwo h HIS 15 N 0.18 0.35 0.35 0.41 2.76 -1.60 -2.12 115.15 115.49 1uwo h HIS 15 Ca 0.07 -0.26 -0.01 0.00 -2.20 0.00 0.00 60.37 57.97 1uwo h HIS 15 Cb 0.17 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 1uwo h HIS 15 CO -0.01 1.24 -0.39 0.37 -1.30 0.00 0.00 177.93 177.83 1uwo h GLN 16 N -0.58 -0.72 -0.71 5.26 4.15 -1.14 0.19 115.11 121.56 1uwo h GLN 16 Ca -0.12 0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.36 1uwo h GLN 16 Cb 1.44 0.16 -0.04 0.00 0.21 0.00 0.00 27.48 29.26 1uwo h GLN 16 CO 0.09 -0.48 0.47 1.88 -1.93 0.00 0.00 178.83 178.85 1uwo h TYR 17 N -0.75 0.89 0.00 3.99 -1.99 -1.27 -0.40 116.97 117.44 1uwo h TYR 17 Ca -0.04 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 1uwo h TYR 17 Cb 0.66 -0.30 -0.00 0.00 2.00 0.00 0.00 36.73 39.09 1uwo h TYR 17 CO -0.24 0.56 -0.00 0.77 -0.00 0.00 0.00 178.16 179.25 1uwo h SER 18 N 0.96 0.00 -0.87 3.88 0.02 -1.02 -0.38 113.55 116.13 1uwo h SER 18 Ca 0.26 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.75 1uwo h SER 18 Cb -0.10 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.17 1uwo h SER 18 CO -0.06 0.00 0.51 0.61 -1.14 0.00 0.00 176.83 176.75 1uwo n GLY 19 N -1.13 4.62 0.10 -3.77 0.00 0.65 -2.43 105.19 103.23 1uwo n GLY 19 Ca -0.03 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.63 1uwo n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uwo n ARG 20 N -1.14 0.56 -3.55 1.61 5.12 -0.15 -4.76 116.66 114.34 1uwo n ARG 20 Ca 0.55 0.57 -0.28 0.00 -1.93 0.00 0.00 57.85 56.76 1uwo n ARG 20 Cb 1.53 -1.74 -0.11 0.00 -1.16 0.00 0.00 32.46 30.97 1uwo n ARG 20 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1uwo s GLU 21 N -2.35 1.16 0.97 5.56 2.02 -1.26 -5.09 118.70 119.71 1uwo s GLU 21 Ca -0.28 -2.13 0.00 0.00 0.02 0.00 0.00 54.97 52.58 1uwo s GLU 21 Cb 0.06 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.39 1uwo s GLU 21 CO 0.56 -1.29 0.00 0.41 0.02 0.00 0.00 175.26 174.96 1uwo n GLY 22 N 3.08 -2.06 7.00 -1.39 0.00 -1.26 -4.86 105.19 105.70 1uwo n GLY 22 Ca 0.20 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 0.60 -2.29 0.00 1.61 8.00 -1.26 -4.41 116.55 118.80 1uwo n ASP 23 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1uwo n ASP 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -0.75 0.00 -0.44 -1.24 3.00 -1.02 -4.52 118.16 113.19 1uwo n LYS 24 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.39 1uwo n LYS 24 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 35.03 35.29 1uwo n LYS 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1uwo n HIS 25 N -0.93 1.00 -4.01 5.64 8.25 -1.26 -4.15 115.22 119.75 1uwo n HIS 25 Ca 0.00 -0.71 -0.09 0.00 -0.26 0.00 0.00 57.72 56.66 1uwo n HIS 25 Cb 0.00 -0.24 -0.05 0.00 1.12 0.00 0.00 29.99 30.82 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 -2.12 1.54 -0.06 -0.41 0.00 -1.25 -4.66 119.74 112.78 1uwo s LYS 26 Ca 0.40 -1.28 -0.00 0.00 0.00 0.00 0.00 55.97 55.09 1uwo s LYS 26 Cb 0.28 0.46 -0.03 0.00 0.00 0.00 0.00 37.83 38.54 1uwo s LYS 26 CO 0.14 -0.63 -0.02 -0.51 0.00 0.00 0.00 175.35 174.33 1uwo s LEU 27 N -3.03 3.41 -1.20 2.77 1.02 -1.14 -4.06 118.68 116.44 1uwo s LEU 27 Ca 0.23 0.04 -0.13 0.00 0.02 0.00 0.00 54.13 54.30 1uwo s LEU 27 Cb -0.00 -1.82 0.19 0.00 0.02 0.00 0.00 46.19 44.58 1uwo s LEU 27 CO 0.09 0.35 1.43 1.17 0.02 0.00 0.00 176.35 179.41 1uwo n LYS 28 N 1.98 3.43 0.00 1.70 4.81 -1.26 -2.03 118.16 126.78 1uwo n LYS 28 Ca -0.17 -3.92 0.00 0.00 -0.87 0.00 0.00 58.31 53.35 1uwo n LYS 28 Cb 0.53 -2.96 0.00 0.00 0.02 0.00 0.00 35.03 32.62 1uwo n LYS 28 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1uwo n LYS 29 N 5.06 0.00 -0.11 1.64 4.81 -1.26 -1.53 118.16 126.76 1uwo n LYS 29 Ca 0.35 0.00 0.27 0.00 -0.87 0.00 0.00 58.31 58.06 1uwo n LYS 29 Cb 0.42 0.00 0.70 0.00 0.02 0.00 0.00 35.03 36.16 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 0.00 -0.38 3.14 0.02 -1.98 0.32 113.55 114.67 1uwo h SER 30 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1uwo h SER 30 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1uwo h SER 30 CO 0.00 0.00 0.24 -0.33 -1.14 0.00 0.00 176.83 175.60 1uwo h GLU 31 N 0.00 0.50 0.16 3.45 3.07 -1.60 -2.11 114.58 118.05 1uwo h GLU 31 Ca 0.38 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.20 1uwo h GLU 31 Cb 1.80 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 29.60 1uwo h GLU 31 CO -0.00 0.35 -0.09 -0.07 -1.40 0.00 0.00 179.01 177.80 1uwo h LEU 32 N 0.51 -0.22 -1.35 1.33 3.38 -0.63 -1.54 115.31 116.79 1uwo h LEU 32 Ca 0.14 0.01 0.33 0.00 0.09 0.00 0.00 57.88 58.44 1uwo h LEU 32 Cb -0.04 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 40.66 1uwo h LEU 32 CO -0.03 -0.15 0.72 0.50 0.09 0.00 0.00 178.44 179.57 1uwo h LYS 33 N -0.24 0.28 0.26 1.13 3.64 -1.21 0.11 116.57 120.54 1uwo h LYS 33 Ca -0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1uwo h LYS 33 Cb 0.19 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1uwo h LYS 33 CO 0.03 0.18 -0.13 0.93 -2.27 0.00 0.00 179.45 178.19 1uwo h GLU 34 N 0.28 -0.34 -0.33 1.90 3.07 -0.62 0.10 114.58 118.65 1uwo h GLU 34 Ca 0.68 0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.64 1uwo h GLU 34 Cb 1.87 0.08 -0.08 0.00 -0.84 0.00 0.00 28.75 29.78 1uwo h GLU 34 CO -0.36 -0.06 -0.22 -0.07 -1.40 0.00 0.00 179.01 176.90 1uwo h LEU 35 N -0.61 -0.73 -1.71 1.33 3.38 -0.47 0.95 115.31 117.45 1uwo h LEU 35 Ca -0.04 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1uwo h LEU 35 Cb 0.44 0.37 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1uwo h LEU 35 CO 0.06 -0.25 -0.15 0.40 0.09 0.00 0.00 178.44 178.59 1uwo h ILE 36 N -0.18 0.57 -0.01 1.22 5.03 -1.33 0.49 117.51 123.29 1uwo h ILE 36 Ca 0.17 -0.69 0.00 0.00 -0.12 0.00 0.00 64.86 64.22 1uwo h ILE 36 Cb 0.44 1.45 0.00 0.00 -3.03 0.00 0.00 36.82 35.69 1uwo h ILE 36 CO -0.44 0.15 -0.20 0.59 -0.68 0.00 0.00 178.15 177.57 1uwo n ASN 37 N -3.58 1.24 -0.00 1.72 5.03 0.10 -1.64 115.26 118.13 1uwo n ASN 37 Ca -0.01 -1.09 0.03 0.00 0.87 0.00 0.00 54.58 54.37 1uwo n ASN 37 Cb 0.29 0.12 -0.04 0.00 -1.02 0.00 0.00 39.78 39.12 1uwo n ASN 37 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1uwo n ASN 38 N -0.37 1.72 0.00 6.41 4.13 0.29 -4.64 115.26 122.79 1uwo n ASN 38 Ca 0.14 -0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.03 1uwo n ASN 38 Cb 0.36 1.13 0.00 0.00 -1.54 0.00 0.00 39.78 39.73 1uwo n ASN 38 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1uwo n GLU 39 N -1.40 3.52 -3.66 3.52 0.28 0.05 -4.83 120.64 118.12 1uwo n GLU 39 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.73 1uwo n GLU 39 Cb 0.13 -0.72 -0.10 0.00 1.43 0.00 0.00 31.44 32.18 1uwo n GLU 39 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1uwo n LEU 40 N -1.19 3.37 -3.22 -1.84 4.77 -0.65 -4.92 117.00 113.32 1uwo n LEU 40 Ca 0.00 -5.32 -0.24 0.00 -0.03 0.00 0.00 56.01 50.42 1uwo n LEU 40 Cb 0.00 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.32 1uwo n LEU 40 CO 0.00 1.91 -0.21 -1.20 -1.33 0.00 0.00 177.39 176.56 1uwo n SER 41 N 1.41 1.04 0.01 -1.43 7.64 -1.26 -4.67 113.62 116.36 1uwo n SER 41 Ca 0.25 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 57.23 1uwo n SER 41 Cb 0.38 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1uwo n SER 41 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1uwo n HIS 42 N 1.08 -0.81 0.00 1.43 -0.00 -1.26 -5.05 115.22 110.60 1uwo n HIS 42 Ca 0.23 0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.46 1uwo n HIS 42 Cb 0.52 0.25 0.00 0.00 -0.12 0.00 0.00 29.99 30.64 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 -2.23 0.00 -2.04 1.57 -0.00 -1.26 -4.88 117.46 108.62 1uwo n PHE 43 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.02 1uwo n PHE 43 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.45 1uwo n PHE 43 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.76 176.28 1uwo s LEU 44 N -3.54 3.74 0.00 -2.13 0.05 -1.26 -4.78 118.68 110.77 1uwo s LEU 44 Ca 0.00 1.54 0.00 0.00 0.05 0.00 0.00 54.13 55.72 1uwo s LEU 44 Cb 0.00 -3.53 0.00 0.00 -2.05 0.00 0.00 46.19 40.61 1uwo s LEU 44 CO 0.00 -1.45 0.49 1.21 -0.55 0.00 0.00 176.35 176.05 1uwo n GLU 45 N 8.00 0.07 -0.38 1.48 2.13 -1.26 -4.60 120.64 126.08 1uwo n GLU 45 Ca 0.21 -0.59 0.30 0.00 0.66 0.00 0.00 57.16 57.74 1uwo n GLU 45 Cb 0.46 -0.85 0.57 0.00 0.27 0.00 0.00 31.44 31.88 1uwo n GLU 45 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1uwo h GLU 46 N 0.00 0.21 0.00 5.31 4.81 -1.92 -2.83 114.58 120.16 1uwo h GLU 46 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1uwo h GLU 46 Cb 0.28 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1uwo h GLU 46 CO 0.00 0.14 0.00 -0.89 -0.73 0.00 0.00 179.01 177.53 1uwo n ILE 47 N -4.78 0.00 -2.27 2.32 5.41 -1.26 -4.37 119.36 114.40 1uwo n ILE 47 Ca 0.33 0.71 -0.00 0.00 1.00 0.00 0.00 62.75 64.79 1uwo n ILE 47 Cb 1.18 -1.55 -0.00 0.00 -0.71 0.00 0.00 39.64 38.56 1uwo n ILE 47 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1uwo n LYS 48 N -0.35 -2.68 0.00 0.38 2.85 -1.07 -3.44 118.16 113.84 1uwo n LYS 48 Ca 0.00 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1uwo n LYS 48 Cb 0.00 -4.44 0.00 0.00 -0.65 0.00 0.00 35.03 29.94 1uwo n LYS 48 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1uwo n GLU 49 N -2.28 0.00 -0.64 -1.58 2.13 -1.26 -4.98 120.64 112.03 1uwo n GLU 49 Ca -0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 1uwo n GLU 49 Cb 0.43 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.11 1uwo n GLU 49 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1uwo n GLN 50 N 0.00 0.00 0.03 5.31 10.64 -1.22 -4.91 117.38 127.22 1uwo n GLN 50 Ca 0.00 -0.41 -0.01 0.00 -1.83 0.00 0.00 57.00 54.75 1uwo n GLN 50 Cb 0.00 0.34 -0.01 0.00 -0.86 0.00 0.00 30.24 29.72 1uwo n GLN 50 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1uwo h GLU 51 N 0.00 -0.07 0.00 2.61 4.57 -1.76 -1.73 114.58 118.20 1uwo h GLU 51 Ca -0.23 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.92 1uwo h GLU 51 Cb 0.90 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1uwo h GLU 51 CO -0.12 -0.05 -0.76 0.28 -1.18 0.00 0.00 179.01 177.19 1uwo h VAL 52 N -0.09 0.13 0.00 0.32 2.07 -1.88 -3.22 116.25 113.59 1uwo h VAL 52 Ca -0.01 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1uwo h VAL 52 Cb 0.06 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1uwo h VAL 52 CO 0.01 0.07 0.00 0.58 0.02 0.00 0.00 177.57 178.26 1uwo h VAL 53 N 0.00 0.00 0.08 2.57 2.07 -1.92 -1.42 116.25 117.64 1uwo h VAL 53 Ca -0.02 -0.79 -0.34 0.00 0.82 0.00 0.00 66.70 66.37 1uwo h VAL 53 Cb 1.10 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.63 1uwo h VAL 53 CO 0.01 0.00 -1.89 -0.67 0.02 0.00 0.00 177.57 175.04 1uwo n ASP 54 N -2.98 1.70 0.13 0.57 2.03 -0.65 -3.59 116.55 113.75 1uwo n ASP 54 Ca 0.03 0.29 -0.21 0.00 0.52 0.00 0.00 54.79 55.42 1uwo n ASP 54 Cb 0.45 -0.60 -0.15 0.00 -0.72 0.00 0.00 41.12 40.10 1uwo n ASP 54 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1uwo h LYS 55 N 0.05 0.45 -0.62 -0.67 3.64 -1.58 -3.31 116.57 114.53 1uwo h LYS 55 Ca -0.37 -0.74 0.00 0.00 -1.27 0.00 0.00 60.65 58.27 1uwo h LYS 55 Cb 2.03 0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 34.09 1uwo h LYS 55 CO 0.09 1.35 0.39 -0.39 -2.27 0.00 0.00 179.45 178.62 1uwo h VAL 56 N 0.13 1.17 -1.80 2.00 -1.51 -1.43 -1.73 116.25 113.09 1uwo h VAL 56 Ca -0.20 -0.34 0.52 0.00 -1.23 0.00 0.00 66.70 65.44 1uwo h VAL 56 Cb 2.07 0.29 -0.07 0.00 -2.13 0.00 0.00 31.29 31.45 1uwo h VAL 56 CO 0.25 0.17 1.38 0.80 -1.23 0.00 0.00 177.57 178.94 1uwo n MET 57 N -4.63 0.00 0.01 5.19 1.56 -1.24 0.21 117.12 118.23 1uwo n MET 57 Ca 0.04 1.07 -0.22 0.00 -0.27 0.00 0.00 57.70 58.32 1uwo n MET 57 Cb 0.04 -2.50 -0.14 0.00 2.15 0.00 0.00 33.22 32.77 1uwo n MET 57 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 1uwo h GLU 58 N 0.00 0.27 0.26 2.12 4.39 -1.51 -3.28 114.58 116.83 1uwo h GLU 58 Ca 0.85 -0.45 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 1uwo h GLU 58 Cb 3.61 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 32.43 1uwo h GLU 58 CO -0.01 1.22 -0.12 1.15 -1.16 0.00 0.00 179.01 180.08 1uwo h THR 59 N -0.18 0.00 -0.88 1.13 2.02 0.26 -3.32 112.91 111.93 1uwo h THR 59 Ca -0.34 -0.25 0.08 0.00 0.77 0.00 0.00 66.41 66.66 1uwo h THR 59 Cb 1.86 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 68.17 1uwo h THR 59 CO 0.07 0.00 -0.52 0.18 0.37 0.00 0.00 175.52 175.62 1uwo n LEU 60 N -3.64 -0.93 -4.61 2.58 4.77 0.15 -3.80 117.00 111.51 1uwo n LEU 60 Ca -0.04 1.61 -0.43 0.00 -0.03 0.00 0.00 56.01 57.11 1uwo n LEU 60 Cb 0.14 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1uwo n LEU 60 CO 0.10 -1.30 1.39 -1.81 -1.33 0.00 0.00 177.39 174.45 1uwo s ASP 61 N -5.35 6.22 -0.09 -1.43 1.11 -1.24 -4.31 116.67 111.58 1uwo s ASP 61 Ca -0.11 1.34 0.13 0.00 0.18 0.00 0.00 52.55 54.09 1uwo s ASP 61 Cb 0.10 -2.53 0.19 0.00 1.07 0.00 0.00 42.92 41.75 1uwo s ASP 61 CO 0.55 -1.44 1.10 0.59 1.18 0.00 0.00 175.17 177.15 1uwo n ASN 62 N 9.10 2.23 -0.04 0.27 3.02 -1.25 -4.72 115.26 123.88 1uwo n ASN 62 Ca 0.20 -2.73 -0.08 0.00 -0.03 0.00 0.00 54.58 51.94 1uwo n ASN 62 Cb 0.46 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 1uwo n ASN 62 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1uwo n ASP 63 N -1.13 1.17 0.00 6.41 -0.08 -1.26 -5.11 116.55 116.55 1uwo n ASP 63 Ca 0.11 0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 1uwo n ASP 63 Cb 0.51 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.76 1uwo n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uwo n GLY 64 N 2.63 0.07 0.00 0.27 0.00 -1.26 -5.06 105.19 101.85 1uwo n GLY 64 Ca -0.15 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -5.00 116.55 111.82 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 -0.34 1.61 2.92 0.27 0.00 -1.26 -5.10 105.19 103.29 1uwo n GLY 66 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.15 1.64 0.16 1.61 -1.05 -1.26 -4.61 118.70 115.03 1uwo s GLU 67 Ca 0.00 -0.39 -0.31 0.00 -0.15 0.00 0.00 54.97 54.12 1uwo s GLU 67 Cb 0.00 -1.81 -0.08 0.00 -0.44 0.00 0.00 34.13 31.80 1uwo s GLU 67 CO 0.00 -0.31 1.33 0.00 0.95 0.00 0.00 175.26 177.23 1uwo s ASP 69 N 0.66 5.27 0.21 0.00 1.47 -1.26 -2.90 116.67 120.12 1uwo s ASP 69 Ca 0.60 -0.62 -0.11 0.00 1.18 0.00 0.00 52.55 53.59 1uwo s ASP 69 Cb -0.36 -0.63 0.28 0.00 -0.34 0.00 0.00 42.92 41.86 1uwo s ASP 69 CO 0.35 -0.66 1.67 0.15 0.68 0.00 0.00 175.17 177.36 1uwo h PHE 70 N 0.92 0.00 -0.94 2.11 3.04 -1.96 0.23 116.94 120.35 1uwo h PHE 70 Ca -0.41 0.04 0.18 0.00 3.98 0.00 0.00 57.97 61.76 1uwo h PHE 70 Cb 1.27 0.09 -0.08 0.00 2.56 0.00 0.00 35.95 39.79 1uwo h PHE 70 CO 0.48 -0.13 0.60 -0.56 -2.02 0.00 0.00 178.31 176.68 1uwo h GLN 71 N 0.14 0.62 0.00 1.11 3.07 -1.95 0.24 115.11 118.35 1uwo h GLN 71 Ca 0.31 -0.04 -0.01 0.00 0.09 0.00 0.00 58.65 59.00 1uwo h GLN 71 Cb 0.49 -0.14 -0.00 0.00 0.08 0.00 0.00 27.48 27.91 1uwo h GLN 71 CO -0.49 0.41 -0.28 1.05 0.09 0.00 0.00 178.83 179.61 1uwo h GLU 72 N 0.64 0.00 0.39 0.06 -0.00 -0.84 -2.07 114.58 112.76 1uwo h GLU 72 Ca 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.84 1uwo h GLU 72 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.67 1uwo h GLU 72 CO -0.26 0.04 -0.19 0.35 -0.00 0.00 0.00 179.01 178.96 1uwo h PHE 73 N 0.00 -0.48 -0.11 2.06 3.57 0.16 0.33 116.94 122.47 1uwo h PHE 73 Ca -0.00 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 1uwo h PHE 73 Cb 1.04 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1uwo h PHE 73 CO 0.00 -0.30 -0.47 0.52 -2.23 0.00 0.00 178.31 175.83 1uwo h MET 74 N -0.71 0.27 -0.11 1.11 2.86 -1.61 -2.66 114.93 114.06 1uwo h MET 74 Ca -0.05 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 1uwo h MET 74 Cb 0.40 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1uwo h MET 74 CO 0.09 0.68 -0.20 0.00 1.06 0.00 0.00 176.91 178.54 1uwo h ALA 75 N 1.30 1.45 0.45 6.32 0.00 -1.42 0.10 119.26 127.45 1uwo h ALA 75 Ca 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1uwo h ALA 75 Cb 0.91 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1uwo h ALA 75 CO 0.07 0.39 -0.22 0.35 0.00 0.00 0.00 179.25 179.85 1uwo h PHE 76 N 0.18 -0.56 -0.19 0.00 3.57 -0.59 -2.62 116.94 116.73 1uwo h PHE 76 Ca 0.03 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1uwo h PHE 76 Cb 0.47 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1uwo h PHE 76 CO 0.01 -0.31 0.21 0.28 -2.23 0.00 0.00 178.31 176.27 1uwo h VAL 77 N -1.13 0.45 -0.06 1.41 2.07 -1.45 -0.94 116.25 116.60 1uwo h VAL 77 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1uwo h VAL 77 Cb 0.50 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1uwo h VAL 77 CO 0.10 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.70 1uwo h ALA 78 N 1.75 0.08 -0.23 1.67 0.00 -0.80 -1.49 119.26 120.24 1uwo h ALA 78 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1uwo h ALA 78 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1uwo h ALA 78 CO -0.00 -0.30 0.00 -1.33 0.00 0.00 0.00 179.25 177.62 1uwo n MET 79 N -4.92 0.00 -0.23 0.00 2.81 -0.42 -2.00 117.12 112.36 1uwo n MET 79 Ca -0.07 0.46 0.30 0.00 -1.81 0.00 0.00 57.70 56.59 1uwo n MET 79 Cb 0.15 -1.16 0.52 0.00 -0.71 0.00 0.00 33.22 32.02 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 0.06 0.05 2.03 -1.51 -1.54 2.71 116.25 118.04 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 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.26 1uwo h VAL 80 CO 0.00 0.00 -0.02 0.74 -1.23 0.00 0.00 177.57 177.06 1uwo h THR 81 N 0.00 0.00 0.00 7.19 2.02 -1.23 -3.20 112.91 117.69 1uwo h THR 81 Ca 0.50 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.50 1uwo h THR 81 Cb 2.77 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 1uwo h THR 81 CO -0.01 0.00 -0.20 0.74 0.37 0.00 0.00 175.52 176.43 1uwo h THR 82 N -0.22 1.40 -0.85 3.16 2.02 -0.48 -3.03 112.91 114.92 1uwo h THR 82 Ca -0.01 -2.13 0.35 0.00 0.77 0.00 0.00 66.41 65.39 1uwo h THR 82 Cb 0.05 2.73 -0.15 0.00 -1.74 0.00 0.00 68.15 69.03 1uwo h THR 82 CO 0.01 0.48 0.42 0.00 0.37 0.00 0.00 175.52 176.80 1uwo n ALA 83 N -2.77 0.84 0.11 6.16 0.00 0.89 0.15 120.51 125.88 1uwo n ALA 83 Ca -0.12 0.87 -0.23 0.00 0.00 0.00 0.00 53.44 53.97 1uwo n ALA 83 Cb 0.44 -0.85 -0.15 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 -3.83 0.31 -0.01 0.00 8.25 0.40 -1.99 115.22 118.36 1uwo n HIS 85 Ca -0.15 0.14 -0.16 0.00 -0.26 0.00 0.00 57.72 57.29 1uwo n HIS 85 Cb 1.00 -0.73 -0.14 0.00 1.12 0.00 0.00 29.99 31.25 1uwo n HIS 85 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1uwo n GLU 86 N -1.80 0.71 -0.28 -0.41 4.71 0.30 -3.94 120.64 119.93 1uwo n GLU 86 Ca 0.01 0.28 0.33 0.00 -0.01 0.00 0.00 57.16 57.77 1uwo n GLU 86 Cb 0.10 -1.74 0.63 0.00 -1.01 0.00 0.00 31.44 29.42 1uwo n GLU 86 CO 0.00 0.00 0.00 0.74 0.09 0.00 0.00 177.13 177.96 1uwo h PHE 87 N 0.04 0.00 0.06 -0.32 -1.00 -1.32 0.47 116.94 114.87 1uwo h PHE 87 Ca -0.37 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.41 1uwo h PHE 87 Cb 2.03 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.59 1uwo h PHE 87 CO 0.05 0.00 -0.03 0.35 -1.61 0.00 0.00 178.31 177.07 1uwo h PHE 88 N 0.00 -0.07 -3.68 -0.55 3.04 -1.70 -3.47 116.94 110.51 1uwo h PHE 88 Ca 0.54 -0.00 -0.10 0.00 3.98 0.00 0.00 57.97 62.39 1uwo h PHE 88 Cb 2.65 0.02 -0.08 0.00 2.56 0.00 0.00 35.95 41.11 1uwo h PHE 88 CO 0.00 0.24 -0.09 -1.21 -2.02 0.00 0.00 178.31 175.24 1uwo s GLU 89 N -4.92 1.71 0.84 1.11 0.41 0.17 -5.17 118.70 112.85 1uwo s GLU 89 Ca -0.15 -1.39 -0.12 0.00 -0.41 0.00 0.00 54.97 52.91 1uwo s GLU 89 Cb 0.03 0.48 0.12 0.00 -1.78 0.00 0.00 34.13 32.98 1uwo s GLU 89 CO 0.65 -0.73 1.20 -1.01 -0.49 0.00 0.00 175.26 174.88 1uwo s HIS 90 N -3.60 2.44 0.00 1.61 3.76 -1.26 -4.64 115.29 113.60 1uwo s HIS 90 Ca 0.23 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 1uwo s HIS 90 Cb -0.01 -3.64 0.00 0.00 1.11 0.00 0.00 32.58 30.03 1uwo s HIS 90 CO 0.12 -2.02 0.00 -1.91 -0.85 0.00 0.00 174.74 170.08