#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 0.17 1.43 4.07 -1.26 -2.26 120.64 122.78 1uwo n GLU 2 Ca 0.00 0.12 0.13 0.00 -0.06 0.00 0.00 57.16 57.35 1uwo n GLU 2 Cb 0.00 -0.77 0.57 0.00 -0.06 0.00 0.00 31.44 31.19 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 0.23 4.31 4.07 -2.04 -1.59 115.31 120.29 1uwo h LEU 3 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1uwo h LEU 3 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1uwo h LEU 3 CO 0.00 0.00 -0.11 -0.08 -1.08 0.00 0.00 178.44 177.17 1uwo h GLU 4 N 0.00 -0.29 -0.34 1.13 4.22 -1.99 -1.10 114.58 116.20 1uwo h GLU 4 Ca 0.00 0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.42 1uwo h GLU 4 Cb 0.27 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1uwo h GLU 4 CO 0.00 -0.20 0.05 -0.22 -2.18 0.00 0.00 179.01 176.47 1uwo h LYS 5 N -0.78 0.51 0.21 1.92 3.11 -1.42 -2.39 116.57 117.73 1uwo h LYS 5 Ca -0.03 -0.09 -0.01 0.00 -2.81 0.00 0.00 60.65 57.71 1uwo h LYS 5 Cb 0.23 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1uwo h LYS 5 CO 0.05 0.49 -0.10 0.00 -2.81 0.00 0.00 179.45 177.08 1uwo h ALA 6 N 1.57 -0.76 -1.50 5.00 0.00 -1.37 -2.70 119.26 119.50 1uwo h ALA 6 Ca 0.11 -0.06 0.44 0.00 0.00 0.00 0.00 54.91 55.40 1uwo h ALA 6 Cb 0.24 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1uwo h ALA 6 CO 0.00 -0.73 1.05 0.00 0.00 0.00 0.00 179.25 179.57 1uwo h MET 7 N -0.38 0.05 0.51 0.00 -0.00 -1.20 0.25 114.93 114.15 1uwo h MET 7 Ca -0.03 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.64 1uwo h MET 7 Cb 0.22 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.81 1uwo h MET 7 CO 0.05 0.03 -0.24 0.28 -0.00 0.00 0.00 176.91 177.02 1uwo h VAL 8 N 0.05 0.48 0.65 -0.10 2.07 -1.25 -1.03 116.25 117.12 1uwo h VAL 8 Ca 0.76 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 68.06 1uwo h VAL 8 Cb 2.84 0.56 0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1uwo h VAL 8 CO -0.12 0.03 -0.31 0.00 0.02 0.00 0.00 177.57 177.19 1uwo h ALA 9 N -0.37 -0.88 -1.12 1.67 0.00 -0.24 -2.43 119.26 115.90 1uwo h ALA 9 Ca -0.07 -0.21 0.36 0.00 0.00 0.00 0.00 54.91 54.99 1uwo h ALA 9 Cb 0.57 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.57 1uwo h ALA 9 CO 0.11 -0.91 0.69 -0.07 0.00 0.00 0.00 179.25 179.07 1uwo h LEU 10 N -1.05 0.39 -0.30 0.00 3.38 -1.28 0.68 115.31 117.13 1uwo h LEU 10 Ca -0.09 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1uwo h LEU 10 Cb 0.71 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1uwo h LEU 10 CO 0.15 -0.14 0.07 0.40 0.09 0.00 0.00 178.44 179.00 1uwo h ILE 11 N 0.22 1.22 -0.06 1.22 2.04 -0.80 -1.50 117.51 119.84 1uwo h ILE 11 Ca 0.75 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.90 1uwo h ILE 11 Cb 2.03 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 39.23 1uwo h ILE 11 CO -0.50 0.24 0.10 -0.78 0.00 0.00 0.00 178.15 177.21 1uwo h ASP 12 N 0.32 0.00 0.30 1.72 3.58 0.81 -1.21 116.42 121.95 1uwo h ASP 12 Ca 0.09 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.21 1uwo h ASP 12 Cb 0.30 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.36 1uwo h ASP 12 CO 0.00 0.00 -1.60 0.58 -2.88 0.00 0.00 179.24 175.34 1uwo h VAL 13 N 0.00 1.11 0.17 2.25 2.07 -0.66 -2.31 116.25 118.88 1uwo h VAL 13 Ca 0.03 -2.66 -0.01 0.00 0.82 0.00 0.00 66.70 64.88 1uwo h VAL 13 Cb 0.23 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1uwo h VAL 13 CO -0.00 0.84 -0.10 0.15 0.02 0.00 0.00 177.57 178.48 1uwo h PHE 14 N 0.11 -0.26 0.33 1.57 3.57 -0.26 -0.66 116.94 121.33 1uwo h PHE 14 Ca -0.29 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.19 1uwo h PHE 14 Cb 2.09 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.93 1uwo h PHE 14 CO 0.10 -0.16 -0.16 1.25 -2.23 0.00 0.00 178.31 177.11 1uwo h HIS 15 N -0.26 -0.41 -0.02 0.41 2.76 -1.60 -1.58 115.15 114.44 1uwo h HIS 15 Ca -0.02 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1uwo h HIS 15 Cb 0.22 0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 1uwo h HIS 15 CO -0.08 -0.08 -0.03 0.37 -1.30 0.00 0.00 177.93 176.81 1uwo h GLN 16 N -0.82 -0.02 -0.75 5.26 4.15 -1.39 0.47 115.11 122.01 1uwo h GLN 16 Ca -0.05 0.00 0.22 0.00 0.77 0.00 0.00 58.65 59.59 1uwo h GLN 16 Cb 0.52 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 1uwo h GLN 16 CO 0.08 -0.01 0.66 1.88 -1.93 0.00 0.00 178.83 179.50 1uwo h TYR 17 N -0.02 0.00 -0.43 3.99 0.05 -1.21 0.17 116.97 119.51 1uwo h TYR 17 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 1uwo h TYR 17 Cb 0.03 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 1uwo h TYR 17 CO -0.59 0.00 0.20 0.66 -1.05 0.00 0.00 178.16 177.38 1uwo h SER 18 N 0.00 0.57 0.00 3.88 4.64 0.95 -1.13 113.55 122.46 1uwo h SER 18 Ca 0.36 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1uwo h SER 18 Cb 1.66 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 1uwo h SER 18 CO -0.00 0.55 0.22 1.23 -0.87 0.00 0.00 176.83 177.95 1uwo h GLY 19 N 0.56 0.00 1.01 -0.77 0.00 0.43 -0.03 103.07 104.28 1uwo h GLY 19 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.37 1uwo h GLY 19 CO -0.02 0.00 -0.17 3.21 0.00 0.00 0.00 176.54 179.56 1uwo h ARG 20 N 0.00 0.82 -7.26 4.80 2.47 -1.24 -3.44 114.38 110.54 1uwo h ARG 20 Ca 0.00 -0.35 -0.50 0.00 -1.26 0.00 0.00 59.98 57.87 1uwo h ARG 20 Cb 0.44 -0.03 0.06 0.00 -1.65 0.00 0.00 29.97 28.79 1uwo h ARG 20 CO 0.00 0.98 0.33 -2.00 0.56 0.00 0.00 179.97 179.84 1uwo s GLU 21 N -4.67 3.39 0.22 0.04 -6.30 -0.02 -4.95 118.70 106.41 1uwo s GLU 21 Ca -0.12 0.50 -0.14 0.00 -2.50 0.00 0.00 54.97 52.71 1uwo s GLU 21 Cb 0.10 -2.15 0.25 0.00 0.00 0.00 0.00 34.13 32.33 1uwo s GLU 21 CO 0.84 -0.58 1.60 0.78 0.02 0.00 0.00 175.26 177.92 1uwo h GLY 22 N -0.24 0.36 -2.18 -1.50 0.00 -1.85 -3.40 103.07 94.26 1uwo h GLY 22 Ca -0.45 0.29 -0.44 0.00 0.00 0.00 0.00 47.33 46.73 1uwo h GLY 22 CO 0.62 -0.26 -0.12 -0.35 0.00 0.00 0.00 176.54 176.43 1uwo s ASP 23 N -5.22 5.62 -0.61 0.19 -1.08 -1.26 -5.02 116.67 109.28 1uwo s ASP 23 Ca -0.14 0.02 0.03 0.00 -0.52 0.00 0.00 52.55 51.94 1uwo s ASP 23 Cb 0.20 -1.13 0.15 0.00 -1.46 0.00 0.00 42.92 40.68 1uwo s ASP 23 CO 0.73 -0.84 0.38 -0.54 0.52 0.00 0.00 175.17 175.43 1uwo s LYS 24 N -4.56 2.29 0.00 4.34 1.02 -1.26 -4.43 119.74 117.14 1uwo s LYS 24 Ca 0.52 -2.84 0.00 0.00 0.02 0.00 0.00 55.97 53.67 1uwo s LYS 24 Cb -0.10 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1uwo s LYS 24 CO 0.37 -1.18 0.00 1.58 -0.92 0.00 0.00 175.35 175.20 1uwo n HIS 25 N 2.82 0.00 -4.20 3.18 -0.00 -1.26 -4.93 115.22 110.83 1uwo n HIS 25 Ca 0.10 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.16 1uwo n HIS 25 Cb 0.34 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.11 1uwo n HIS 25 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1uwo s LYS 26 N -0.78 1.21 0.42 1.57 1.02 -1.26 -4.67 119.74 117.25 1uwo s LYS 26 Ca 0.00 -1.63 0.08 0.00 0.02 0.00 0.00 55.97 54.43 1uwo s LYS 26 Cb 0.00 0.27 -0.02 0.00 -0.52 0.00 0.00 37.83 37.56 1uwo s LYS 26 CO 0.00 -0.39 0.37 -0.51 -0.92 0.00 0.00 175.35 173.90 1uwo s LEU 27 N -3.16 3.38 -0.54 3.17 1.43 -1.14 -4.77 118.68 117.04 1uwo s LEU 27 Ca 0.39 -0.76 0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1uwo s LEU 27 Cb 0.07 -2.03 0.22 0.00 0.03 0.00 0.00 46.19 44.48 1uwo s LEU 27 CO 0.12 -0.66 0.57 2.29 0.23 0.00 0.00 176.35 178.90 1uwo n LYS 28 N -1.54 1.50 0.00 1.70 2.85 -1.26 -1.83 118.16 119.57 1uwo n LYS 28 Ca 0.03 -3.98 0.00 0.00 -1.05 0.00 0.00 58.31 53.31 1uwo n LYS 28 Cb 0.62 -1.87 0.00 0.00 -0.65 0.00 0.00 35.03 33.13 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 1.54 0.00 -0.28 -1.58 4.81 -1.26 -3.84 118.16 117.55 1uwo n LYS 29 Ca 0.25 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.71 1uwo n LYS 29 Cb 0.44 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.58 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 -0.82 -0.95 3.14 0.02 -1.99 0.52 113.55 113.48 1uwo h SER 30 Ca 0.00 0.24 0.15 0.00 -0.84 0.00 0.00 61.79 61.35 1uwo h SER 30 Cb 0.00 0.52 -0.10 0.00 0.14 0.00 0.00 62.40 62.96 1uwo h SER 30 CO 0.00 -0.27 0.56 -0.33 -1.14 0.00 0.00 176.83 175.65 1uwo h GLU 31 N -0.01 0.77 0.37 3.45 4.39 -1.94 -2.55 114.58 119.05 1uwo h GLU 31 Ca 0.37 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.01 1uwo h GLU 31 Cb 0.59 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1uwo h GLU 31 CO -0.83 0.51 -0.20 -0.07 -1.16 0.00 0.00 179.01 177.26 1uwo h LEU 32 N 0.79 -0.50 -1.14 1.33 3.38 -0.27 -2.20 115.31 116.70 1uwo h LEU 32 Ca 0.51 0.02 0.42 0.00 0.09 0.00 0.00 57.88 58.93 1uwo h LEU 32 Cb 0.68 0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.42 1uwo h LEU 32 CO -0.34 -0.33 0.69 1.17 0.09 0.00 0.00 178.44 179.73 1uwo n LYS 33 N -3.53 -0.04 0.02 1.13 4.81 -0.95 0.11 118.16 119.71 1uwo n LYS 33 Ca -0.07 1.21 -0.13 0.00 -0.87 0.00 0.00 58.31 58.46 1uwo n LYS 33 Cb 0.22 -2.30 -0.09 0.00 0.02 0.00 0.00 35.03 32.88 1uwo n LYS 33 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1uwo h GLU 34 N 0.00 -0.03 0.00 1.64 4.81 -1.05 -2.03 114.58 117.92 1uwo h GLU 34 Ca 0.81 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 60.04 1uwo h GLU 34 Cb 2.42 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.81 1uwo h GLU 34 CO -0.55 0.27 -0.01 -0.07 -0.73 0.00 0.00 179.01 177.93 1uwo h LEU 35 N -0.32 0.00 0.07 1.64 3.38 0.14 -0.14 115.31 120.08 1uwo h LEU 35 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1uwo h LEU 35 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1uwo h LEU 35 CO 0.00 0.01 -0.03 0.40 0.09 0.00 0.00 178.44 178.91 1uwo h ILE 36 N 0.00 0.35 0.00 1.22 2.04 -0.77 0.17 117.51 120.52 1uwo h ILE 36 Ca -0.00 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1uwo h ILE 36 Cb 0.05 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1uwo h ILE 36 CO 0.00 0.11 0.00 0.59 0.00 0.00 0.00 178.15 178.85 1uwo n ASN 37 N -4.82 0.00 -0.03 1.72 3.02 -0.81 -2.11 115.26 112.23 1uwo n ASN 37 Ca -0.03 0.02 0.03 0.00 -0.03 0.00 0.00 54.58 54.56 1uwo n ASN 37 Cb 0.13 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 1uwo n ASN 37 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1uwo n ASN 38 N -1.26 0.44 -0.10 6.41 4.13 -0.08 -3.45 115.26 121.35 1uwo n ASN 38 Ca 0.08 -0.72 -0.24 0.00 1.68 0.00 0.00 54.58 55.38 1uwo n ASN 38 Cb 0.12 0.88 -0.12 0.00 -1.54 0.00 0.00 39.78 39.12 1uwo n ASN 38 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1uwo n GLU 39 N -0.95 0.62 0.01 3.52 0.00 0.59 -4.55 120.64 119.89 1uwo n GLU 39 Ca 0.01 0.37 -0.12 0.00 0.00 0.00 0.00 57.16 57.43 1uwo n GLU 39 Cb 0.10 -1.64 -0.09 0.00 0.00 0.00 0.00 31.44 29.82 1uwo n GLU 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1uwo h LEU 40 N -0.68 -0.10 0.00 4.31 -0.00 -1.71 -3.49 115.31 113.65 1uwo h LEU 40 Ca -0.50 -0.49 0.00 0.00 -0.00 0.00 0.00 57.88 56.89 1uwo h LEU 40 Cb 1.61 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 42.29 1uwo h LEU 40 CO -0.21 0.50 0.00 -1.20 -0.00 0.00 0.00 178.44 177.53 1uwo n SER 41 N -4.86 0.00 0.10 -0.43 7.64 -1.26 -4.99 113.62 109.83 1uwo n SER 41 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1uwo n SER 41 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1uwo n SER 41 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1uwo n HIS 42 N 0.00 -1.68 -2.00 1.43 8.25 -1.22 -4.71 115.22 115.29 1uwo n HIS 42 Ca 0.00 0.30 -0.06 0.00 -0.26 0.00 0.00 57.72 57.70 1uwo n HIS 42 Cb 0.00 0.47 -0.06 0.00 1.12 0.00 0.00 29.99 31.51 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 -3.31 0.00 -1.60 4.41 1.16 -1.26 -4.48 117.46 112.38 1uwo n PHE 43 Ca 0.00 -0.44 0.00 0.00 -1.87 0.00 0.00 57.45 55.14 1uwo n PHE 43 Cb 0.02 0.47 0.00 0.00 -1.61 0.00 0.00 39.48 38.36 1uwo n PHE 43 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1uwo n LEU 44 N 0.00 0.00 -0.20 5.98 4.32 -1.26 -1.45 117.00 124.39 1uwo n LEU 44 Ca -0.24 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.74 1uwo n LEU 44 Cb 0.67 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.54 1uwo n LEU 44 CO -0.12 0.00 0.78 1.05 -1.22 0.00 0.00 177.39 177.88 1uwo h GLU 45 N 0.00 0.04 0.00 3.23 4.11 -1.92 -3.43 114.58 116.62 1uwo h GLU 45 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1uwo h GLU 45 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1uwo h GLU 45 CO 0.00 0.03 0.00 -0.85 0.07 0.00 0.00 179.01 178.26 1uwo n GLU 46 N -5.36 0.00 -2.05 1.06 0.28 -0.53 -5.06 120.64 108.99 1uwo n GLU 46 Ca 0.07 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.65 1uwo n GLU 46 Cb 0.33 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.20 1uwo n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1uwo n ILE 47 N 0.00 3.73 -0.47 3.84 5.41 -0.87 -4.72 119.36 126.28 1uwo n ILE 47 Ca 0.00 -3.53 0.38 0.00 1.00 0.00 0.00 62.75 60.60 1uwo n ILE 47 Cb 0.00 -2.51 0.67 0.00 -0.71 0.00 0.00 39.64 37.09 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 6.30 0.08 0.00 0.38 2.10 -1.97 -3.40 116.57 120.06 1uwo h LYS 48 Ca 0.51 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 1uwo h LYS 48 Cb 0.69 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 1uwo h LYS 48 CO 1.73 0.05 0.00 -0.85 -2.00 0.00 0.00 179.45 178.39 1uwo n GLU 49 N -4.55 0.00 -1.01 0.07 0.28 -1.26 -4.98 120.64 109.19 1uwo n GLU 49 Ca 0.37 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.30 1uwo n GLU 49 Cb 1.48 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 34.28 1uwo n GLU 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1uwo n GLN 50 N 0.00 0.00 0.00 3.44 10.64 -1.26 -4.85 117.38 125.35 1uwo n GLN 50 Ca 0.00 -1.01 0.00 0.00 -1.83 0.00 0.00 57.00 54.16 1uwo n GLN 50 Cb 0.00 0.49 0.00 0.00 -0.86 0.00 0.00 30.24 29.87 1uwo n GLN 50 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1uwo n GLU 51 N 0.01 0.00 0.03 2.61 1.02 -1.26 -1.06 120.64 121.98 1uwo n GLU 51 Ca -0.27 0.46 0.12 0.00 -0.02 0.00 0.00 57.16 57.44 1uwo n GLU 51 Cb 0.71 -1.44 0.15 0.00 -0.02 0.00 0.00 31.44 30.84 1uwo n GLU 51 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1uwo n VAL 52 N -1.87 0.15 0.09 2.62 0.31 -1.26 -3.74 118.33 114.64 1uwo n VAL 52 Ca 0.00 -0.15 -0.05 0.00 -0.01 0.00 0.00 64.34 64.13 1uwo n VAL 52 Cb 0.00 0.15 -0.01 0.00 -0.91 0.00 0.00 33.84 33.08 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 1.60 0.01 2.52 2.07 -1.89 -1.45 116.25 119.10 1uwo h VAL 53 Ca 0.00 -2.89 -0.08 0.00 0.82 0.00 0.00 66.70 64.56 1uwo h VAL 53 Cb 0.64 2.56 0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1uwo h VAL 53 CO 0.00 0.83 -0.31 -0.78 0.02 0.00 0.00 177.57 177.33 1uwo h ASP 54 N 0.01 0.26 0.04 0.57 3.58 -1.19 -1.71 116.42 117.97 1uwo h ASP 54 Ca -0.01 -0.80 -0.00 0.00 0.42 0.00 0.00 57.03 56.64 1uwo h ASP 54 Cb 1.51 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.48 1uwo h ASP 54 CO 0.11 1.02 -0.02 0.50 -2.88 0.00 0.00 179.24 177.98 1uwo h LYS 55 N -0.48 -0.05 -0.35 0.28 3.64 -1.64 -3.11 116.57 114.86 1uwo h LYS 55 Ca -0.04 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1uwo h LYS 55 Cb 1.07 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1uwo h LYS 55 CO 0.06 0.26 0.16 -0.39 -2.27 0.00 0.00 179.45 177.27 1uwo h VAL 56 N -0.37 0.95 -0.91 2.00 -1.51 -1.38 -2.57 116.25 112.46 1uwo h VAL 56 Ca -0.01 -0.11 0.19 0.00 -1.23 0.00 0.00 66.70 65.54 1uwo h VAL 56 Cb 0.34 0.60 -0.17 0.00 -2.13 0.00 0.00 31.29 29.92 1uwo h VAL 56 CO 0.01 0.06 -0.20 0.80 -1.23 0.00 0.00 177.57 177.01 1uwo n MET 57 N -4.97 -0.08 -0.12 5.19 0.00 -0.64 0.14 117.12 116.63 1uwo n MET 57 Ca 0.01 1.41 -0.08 0.00 -0.00 0.00 0.00 57.70 59.04 1uwo n MET 57 Cb 0.10 -2.13 -0.00 0.00 0.00 0.00 0.00 33.22 31.19 1uwo n MET 57 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1uwo h GLU 58 N 0.00 0.52 0.00 2.12 4.81 -1.48 -0.26 114.58 120.29 1uwo h GLU 58 Ca 0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1uwo h GLU 58 Cb 0.73 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1uwo h GLU 58 CO -0.93 0.34 0.00 2.41 -0.73 0.00 0.00 179.01 180.11 1uwo n THR 59 N -4.81 0.60 0.06 0.32 -1.04 0.36 -2.59 114.28 107.17 1uwo n THR 59 Ca 0.00 0.15 -0.03 0.00 -2.04 0.00 0.00 64.05 62.13 1uwo n THR 59 Cb 0.02 -0.82 -0.08 0.00 -1.82 0.00 0.00 70.33 67.63 1uwo n THR 59 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1uwo h LEU 60 N 0.00 0.00 -8.20 -4.42 3.38 0.19 -3.46 115.31 102.80 1uwo h LEU 60 Ca 0.00 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.23 1uwo h LEU 60 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1uwo h LEU 60 CO 0.00 0.77 1.34 0.47 0.09 0.00 0.00 178.44 181.11 1uwo n ASP 61 N -3.14 1.23 0.14 -0.43 8.00 -0.99 -4.52 116.55 116.84 1uwo n ASP 61 Ca -0.06 0.60 -0.14 0.00 0.71 0.00 0.00 54.79 55.90 1uwo n ASP 61 Cb 0.89 -1.02 -0.08 0.00 -0.02 0.00 0.00 41.12 40.89 1uwo n ASP 61 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1uwo h ASN 62 N 10.08 -0.24 0.00 -2.24 -1.24 -1.88 -3.40 115.58 116.67 1uwo h ASN 62 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.85 1uwo h ASN 62 Cb 1.39 0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.50 1uwo h ASN 62 CO 1.06 -0.17 -0.15 0.47 -1.29 0.00 0.00 177.43 177.36 1uwo n ASP 63 N -5.21 0.00 -0.32 1.15 8.00 -1.26 -5.00 116.55 113.92 1uwo n ASP 63 Ca -0.09 -1.30 0.00 0.00 0.71 0.00 0.00 54.79 54.11 1uwo n ASP 63 Cb 0.14 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 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 -0.61 0.00 0.44 0.00 -1.26 -5.05 105.19 98.71 1uwo n GLY 64 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.02 0.00 0.00 1.61 -0.08 -1.26 -4.99 116.55 111.81 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 -0.57 0.72 3.61 0.27 0.00 -1.26 -5.08 105.19 102.89 1uwo n GLY 66 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.54 3.99 0.14 1.61 2.02 -1.26 -4.34 118.70 120.32 1uwo s GLU 67 Ca 0.00 -0.29 -0.31 0.00 0.02 0.00 0.00 54.97 54.39 1uwo s GLU 67 Cb 0.00 -3.62 -0.08 0.00 0.10 0.00 0.00 34.13 30.53 1uwo s GLU 67 CO 0.00 -0.10 1.36 0.00 0.02 0.00 0.00 175.26 176.53 1uwo s ASP 69 N 0.88 4.74 0.15 0.00 1.11 -1.26 -2.89 116.67 119.40 1uwo s ASP 69 Ca 0.62 -0.94 -0.19 0.00 0.18 0.00 0.00 52.55 52.23 1uwo s ASP 69 Cb -0.36 -0.45 0.05 0.00 1.07 0.00 0.00 42.92 43.22 1uwo s ASP 69 CO 0.32 -0.64 1.67 0.15 1.18 0.00 0.00 175.17 177.86 1uwo h PHE 70 N 1.19 -0.27 -0.62 4.23 3.04 -1.96 0.18 116.94 122.74 1uwo h PHE 70 Ca -0.42 0.03 0.11 0.00 3.98 0.00 0.00 57.97 61.68 1uwo h PHE 70 Cb 1.26 0.17 -0.09 0.00 2.56 0.00 0.00 35.95 39.85 1uwo h PHE 70 CO 0.60 -0.18 0.15 1.96 -2.02 0.00 0.00 178.31 178.82 1uwo h GLN 71 N -0.06 0.28 0.00 1.11 4.20 -1.98 0.27 115.11 118.94 1uwo h GLN 71 Ca 0.16 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1uwo h GLN 71 Cb 0.29 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1uwo h GLN 71 CO -0.35 0.18 0.00 1.05 -0.67 0.00 0.00 178.83 179.04 1uwo h GLU 72 N 0.29 0.00 0.34 1.46 -0.00 -1.56 -2.83 114.58 112.28 1uwo h GLU 72 Ca 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.67 1uwo h GLU 72 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.23 1uwo h GLU 72 CO -0.40 0.00 -0.16 0.35 -0.00 0.00 0.00 179.01 178.80 1uwo h PHE 73 N 0.00 -0.42 -0.15 2.06 3.57 0.25 0.62 116.94 122.87 1uwo h PHE 73 Ca 0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1uwo h PHE 73 Cb 0.67 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 1uwo h PHE 73 CO 0.00 -0.17 -0.14 1.98 -2.23 0.00 0.00 178.31 177.75 1uwo h MET 74 N -0.61 0.36 -0.48 1.11 4.05 -1.52 -2.79 114.93 115.05 1uwo h MET 74 Ca -0.05 -0.19 0.11 0.00 -0.28 0.00 0.00 59.70 59.29 1uwo h MET 74 Cb 0.44 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 1uwo h MET 74 CO 0.08 0.74 0.33 0.00 0.23 0.00 0.00 176.91 178.29 1uwo h ALA 75 N 0.62 2.22 0.39 0.39 0.00 -1.50 0.89 119.26 122.27 1uwo h ALA 75 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1uwo h ALA 75 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1uwo h ALA 75 CO 0.04 -0.34 -0.19 0.35 0.00 0.00 0.00 179.25 179.11 1uwo h PHE 76 N 0.17 -0.48 0.00 0.00 3.57 -0.62 -2.39 116.94 117.19 1uwo h PHE 76 Ca 0.22 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1uwo h PHE 76 Cb 0.66 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1uwo h PHE 76 CO -0.00 -0.30 0.16 0.28 -2.23 0.00 0.00 178.31 176.22 1uwo h VAL 77 N -0.64 0.00 -0.07 1.41 2.07 -1.22 -0.87 116.25 116.94 1uwo h VAL 77 Ca -0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1uwo h VAL 77 Cb 0.40 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1uwo h VAL 77 CO 0.09 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.69 1uwo h ALA 78 N 1.65 0.10 0.15 1.67 0.00 -0.34 -1.21 119.26 121.28 1uwo h ALA 78 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1uwo h ALA 78 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1uwo h ALA 78 CO 0.00 -0.25 -0.07 0.52 0.00 0.00 0.00 179.25 179.45 1uwo h MET 79 N -0.13 -0.19 -0.24 0.00 2.86 -0.79 -1.85 114.93 114.59 1uwo h MET 79 Ca 0.02 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.74 1uwo h MET 79 Cb 0.30 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1uwo h MET 79 CO 0.00 -0.13 0.65 0.28 1.06 0.00 0.00 176.91 178.78 1uwo h VAL 80 N -0.64 0.08 0.00 -2.22 2.07 -1.59 2.16 116.25 116.12 1uwo h VAL 80 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1uwo h VAL 80 Cb 0.15 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1uwo h VAL 80 CO 0.03 0.00 -0.01 0.74 0.02 0.00 0.00 177.57 178.35 1uwo h THR 81 N 0.00 0.00 0.01 2.57 2.02 -1.19 -3.32 112.91 113.01 1uwo h THR 81 Ca 0.11 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1uwo h THR 81 Cb 1.42 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1uwo h THR 81 CO -0.00 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.83 1uwo h THR 82 N -0.42 1.78 -1.43 3.16 1.03 -0.44 -3.27 112.91 113.31 1uwo h THR 82 Ca 0.00 -2.36 0.46 0.00 -0.01 0.00 0.00 66.41 64.50 1uwo h THR 82 Cb 0.01 3.38 -0.10 0.00 -1.07 0.00 0.00 68.15 70.37 1uwo h THR 82 CO 0.00 0.61 0.97 0.00 -0.01 0.00 0.00 175.52 177.10 1uwo n ALA 83 N -2.62 1.40 -0.02 0.00 0.00 0.72 0.12 120.51 120.11 1uwo n ALA 83 Ca -0.10 0.70 -0.13 0.00 0.00 0.00 0.00 53.44 53.91 1uwo n ALA 83 Cb 0.50 -0.97 -0.11 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.74 -0.92 -0.86 0.00 6.17 0.88 -1.37 115.15 118.32 1uwo h HIS 85 Ca -0.00 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.11 1uwo h HIS 85 Cb 0.67 0.40 -0.04 0.00 2.52 0.00 0.00 27.41 30.96 1uwo h HIS 85 CO 0.16 -0.43 0.56 0.93 0.71 0.00 0.00 177.93 179.86 1uwo h GLU 86 N -0.52 1.13 -1.36 5.26 4.39 -1.38 -1.61 114.58 120.49 1uwo h GLU 86 Ca 0.04 -0.07 0.40 0.00 0.34 0.00 0.00 59.36 60.08 1uwo h GLU 86 Cb 0.58 -0.25 -0.09 0.00 -0.10 0.00 0.00 28.75 28.89 1uwo h GLU 86 CO -0.23 0.76 0.93 0.35 -1.16 0.00 0.00 179.01 179.65 1uwo h PHE 87 N 1.17 0.31 0.04 4.33 3.04 -0.03 0.72 116.94 126.52 1uwo h PHE 87 Ca 0.31 0.01 -0.26 0.00 3.98 0.00 0.00 57.97 62.01 1uwo h PHE 87 Cb -0.13 -0.08 0.02 0.00 2.56 0.00 0.00 35.95 38.32 1uwo h PHE 87 CO 0.00 -0.06 -1.05 0.35 -2.02 0.00 0.00 178.31 175.53 1uwo h PHE 88 N 0.11 0.97 -3.22 0.41 3.57 -1.16 -3.45 116.94 114.17 1uwo h PHE 88 Ca 0.73 -0.56 -0.52 0.00 3.53 0.00 0.00 57.97 61.15 1uwo h PHE 88 Cb 2.52 -0.10 0.22 0.00 2.79 0.00 0.00 35.95 41.38 1uwo h PHE 88 CO -0.00 1.40 -0.67 -1.91 -2.23 0.00 0.00 178.31 174.90 1uwo n GLU 89 N -3.89 -0.50 -4.45 1.11 4.07 0.25 -5.02 120.64 112.21 1uwo n GLU 89 Ca -0.12 -0.11 -0.23 0.00 -0.06 0.00 0.00 57.16 56.64 1uwo n GLU 89 Cb 0.89 -1.82 -0.09 0.00 -0.06 0.00 0.00 31.44 30.36 1uwo n GLU 89 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1uwo s HIS 90 N -2.37 1.76 0.00 4.31 3.76 -1.26 -5.02 115.29 116.48 1uwo s HIS 90 Ca 0.56 -1.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.20 1uwo s HIS 90 Cb -0.20 -1.08 0.00 0.00 1.11 0.00 0.00 32.58 32.41 1uwo s HIS 90 CO 0.67 -0.33 0.00 -1.91 -0.85 0.00 0.00 174.74 172.32