#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 0.70 0.11 1.43 5.08 -2.03 -2.75 114.58 117.12 1uwo h GLU 2 Ca 0.00 -0.60 -0.27 0.00 -1.00 0.00 0.00 59.36 57.49 1uwo h GLU 2 Cb 0.00 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1uwo h GLU 2 CO 0.00 1.21 -1.24 -0.07 -1.00 0.00 0.00 179.01 177.92 1uwo h LEU 3 N 0.46 0.37 0.84 1.33 -0.00 -2.04 -2.35 115.31 113.93 1uwo h LEU 3 Ca -0.06 -0.40 -0.04 0.00 -0.00 0.00 0.00 57.88 57.37 1uwo h LEU 3 Cb 1.44 -0.12 0.01 0.00 -0.00 0.00 0.00 40.66 41.99 1uwo h LEU 3 CO 0.16 1.32 -0.41 -0.08 -0.00 0.00 0.00 178.44 179.43 1uwo h GLU 4 N 0.06 -1.09 -0.71 1.13 4.81 -1.99 0.79 114.58 117.58 1uwo h GLU 4 Ca -0.13 0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1uwo h GLU 4 Cb 1.95 0.25 -0.03 0.00 0.63 0.00 0.00 28.75 31.55 1uwo h GLU 4 CO 0.19 -0.73 0.27 0.87 -0.73 0.00 0.00 179.01 178.89 1uwo h LYS 5 N -1.14 1.06 0.00 1.92 1.57 -1.62 -0.60 116.57 117.77 1uwo h LYS 5 Ca -0.12 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1uwo h LYS 5 Cb 0.87 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1uwo h LYS 5 CO 0.19 0.87 0.00 0.00 -0.57 0.00 0.00 179.45 179.94 1uwo n ALA 6 N -2.44 1.87 0.05 3.86 0.00 -0.88 -2.16 120.51 120.80 1uwo n ALA 6 Ca 0.06 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 1uwo n ALA 6 Cb 0.19 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 18.14 1uwo n ALA 6 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1uwo h MET 7 N 0.00 0.33 0.00 0.00 1.85 0.22 -1.77 114.93 115.56 1uwo h MET 7 Ca 0.00 -0.56 -0.10 0.00 -0.61 0.00 0.00 59.70 58.43 1uwo h MET 7 Cb 0.39 0.21 -0.01 0.00 0.43 0.00 0.00 31.60 32.62 1uwo h MET 7 CO 0.00 1.27 -0.46 0.28 -0.40 0.00 0.00 176.91 177.60 1uwo h VAL 8 N -0.19 0.92 0.00 -5.77 2.07 -1.37 -2.08 116.25 109.82 1uwo h VAL 8 Ca -0.26 -1.88 -0.07 0.00 0.82 0.00 0.00 66.70 65.31 1uwo h VAL 8 Cb 1.84 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 33.77 1uwo h VAL 8 CO 0.14 0.45 -0.38 0.00 0.02 0.00 0.00 177.57 177.79 1uwo h ALA 9 N 1.54 0.08 -0.27 1.67 0.00 -1.54 -2.51 119.26 118.23 1uwo h ALA 9 Ca -0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 1uwo h ALA 9 Cb 1.13 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1uwo h ALA 9 CO 0.06 0.21 0.04 -0.07 0.00 0.00 0.00 179.25 179.50 1uwo h LEU 10 N -1.00 0.36 -0.06 0.00 -0.00 -1.40 -1.04 115.31 112.18 1uwo h LEU 10 Ca -0.11 -0.05 -0.08 0.00 -0.00 0.00 0.00 57.88 57.65 1uwo h LEU 10 Cb 1.09 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 1uwo h LEU 10 CO -0.06 0.39 -0.28 -0.29 -0.00 0.00 0.00 178.44 178.20 1uwo h ILE 11 N 0.39 1.44 0.00 1.22 6.09 -1.48 -1.38 117.51 123.79 1uwo h ILE 11 Ca 0.09 -1.70 0.00 0.00 -1.37 0.00 0.00 64.86 61.88 1uwo h ILE 11 Cb 0.19 2.35 0.00 0.00 0.47 0.00 0.00 36.82 39.84 1uwo h ILE 11 CO -0.00 0.48 0.00 -0.78 -3.07 0.00 0.00 178.15 174.78 1uwo h ASP 12 N -0.21 0.00 0.23 2.19 3.58 -1.14 -2.53 116.42 118.53 1uwo h ASP 12 Ca -0.02 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.09 1uwo h ASP 12 Cb 0.93 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 1uwo h ASP 12 CO 0.06 0.00 -1.91 0.58 -2.88 0.00 0.00 179.24 175.09 1uwo h VAL 13 N 0.00 0.70 -0.52 2.25 2.07 -1.03 -2.02 116.25 117.70 1uwo h VAL 13 Ca 0.00 -2.45 -0.02 0.00 0.82 0.00 0.00 66.70 65.05 1uwo h VAL 13 Cb 0.25 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 1uwo h VAL 13 CO 0.00 0.79 0.23 0.15 0.02 0.00 0.00 177.57 178.76 1uwo h PHE 14 N 0.05 0.77 0.00 1.57 3.57 -0.84 -0.80 116.94 121.27 1uwo h PHE 14 Ca -0.38 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.02 1uwo h PHE 14 Cb 2.03 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.53 1uwo h PHE 14 CO 0.06 0.62 -0.29 0.45 -2.23 0.00 0.00 178.31 176.92 1uwo h HIS 15 N 0.70 0.01 0.21 0.41 3.86 -1.65 -2.27 115.15 116.41 1uwo h HIS 15 Ca 0.18 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1uwo h HIS 15 Cb 0.16 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 1uwo h HIS 15 CO 0.00 1.11 -0.52 0.37 0.86 0.00 0.00 177.93 179.75 1uwo h GLN 16 N -0.99 -0.78 -0.13 2.45 4.15 -1.40 0.62 115.11 119.03 1uwo h GLN 16 Ca -0.08 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1uwo h GLN 16 Cb 1.08 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 1uwo h GLN 16 CO -0.05 -0.52 0.08 1.88 -1.93 0.00 0.00 178.83 178.29 1uwo h TYR 17 N -0.81 0.16 0.00 3.99 -1.99 -1.31 -0.56 116.97 116.46 1uwo h TYR 17 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1uwo h TYR 17 Cb 0.78 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.46 1uwo h TYR 17 CO -0.41 0.13 0.00 -1.13 -0.00 0.00 0.00 178.16 176.76 1uwo n SER 18 N -4.98 0.20 -0.04 3.88 3.41 -0.85 -1.83 113.62 113.41 1uwo n SER 18 Ca -0.05 0.58 -0.11 0.00 -0.26 0.00 0.00 58.87 59.03 1uwo n SER 18 Cb 0.04 -0.61 0.03 0.00 -0.26 0.00 0.00 64.21 63.41 1uwo n SER 18 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1uwo h GLY 19 N 0.74 0.75 -0.59 5.00 0.00 0.19 -3.06 103.07 106.11 1uwo h GLY 19 Ca 0.00 -0.84 0.31 0.00 0.00 0.00 0.00 47.33 46.80 1uwo h GLY 19 CO 0.00 0.75 0.44 3.21 0.00 0.00 0.00 176.54 180.95 1uwo h ARG 20 N 0.54 0.23 -5.80 4.80 2.47 -1.40 -3.10 114.38 112.12 1uwo h ARG 20 Ca 0.02 -0.01 -0.54 0.00 -1.26 0.00 0.00 59.98 58.19 1uwo h ARG 20 Cb 1.06 -0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 29.25 1uwo h ARG 20 CO 0.10 0.15 1.65 -2.00 0.56 0.00 0.00 179.97 180.43 1uwo s GLU 21 N -5.74 3.40 1.24 0.04 2.12 -1.16 -4.80 118.70 113.80 1uwo s GLU 21 Ca -0.11 -1.46 0.00 0.00 0.36 0.00 0.00 54.97 53.76 1uwo s GLU 21 Cb 0.29 -5.39 0.00 0.00 0.26 0.00 0.00 34.13 29.30 1uwo s GLU 21 CO 0.78 -2.79 0.00 0.41 -0.54 0.00 0.00 175.26 173.12 1uwo n GLY 22 N 5.92 0.33 3.94 -1.50 0.00 -1.17 -4.45 105.19 108.26 1uwo n GLY 22 Ca 0.44 0.44 -0.24 0.00 0.00 0.00 0.00 46.02 46.66 1uwo n GLY 22 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1uwo s ASP 23 N -4.00 6.33 -0.26 1.61 1.47 -1.26 -4.89 116.67 115.68 1uwo s ASP 23 Ca 0.00 0.34 -0.20 0.00 1.18 0.00 0.00 52.55 53.87 1uwo s ASP 23 Cb 0.00 -1.98 -0.02 0.00 -0.34 0.00 0.00 42.92 40.58 1uwo s ASP 23 CO 0.00 -0.15 0.63 -1.59 0.68 0.00 0.00 175.17 174.74 1uwo s LYS 24 N -3.89 4.10 0.00 2.11 0.00 -1.24 -4.12 119.74 116.70 1uwo s LYS 24 Ca 0.38 0.54 0.00 0.00 0.00 0.00 0.00 55.97 56.89 1uwo s LYS 24 Cb -0.10 -3.65 0.00 0.00 0.00 0.00 0.00 37.83 34.08 1uwo s LYS 24 CO 0.32 -0.42 0.00 1.58 0.00 0.00 0.00 175.35 176.83 1uwo n HIS 25 N 5.72 -1.17 -4.28 1.78 -0.00 -1.22 -4.81 115.22 111.24 1uwo n HIS 25 Ca -0.01 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.03 1uwo n HIS 25 Cb 0.49 0.23 -0.10 0.00 -0.12 0.00 0.00 29.99 30.49 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 -1.90 1.34 0.07 1.57 1.02 -1.25 -4.70 119.74 115.89 1uwo s LYS 26 Ca 0.00 -1.72 0.01 0.00 0.02 0.00 0.00 55.97 54.29 1uwo s LYS 26 Cb 0.00 -0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.20 1uwo s LYS 26 CO 0.00 -0.33 0.16 -0.51 -0.92 0.00 0.00 175.35 173.74 1uwo s LEU 27 N -3.26 4.11 -0.74 3.17 1.43 -1.17 -4.36 118.68 117.87 1uwo s LEU 27 Ca 0.38 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.66 1uwo s LEU 27 Cb 0.07 -2.74 0.26 0.00 0.03 0.00 0.00 46.19 43.81 1uwo s LEU 27 CO 0.13 0.16 0.91 2.29 0.23 0.00 0.00 176.35 180.08 1uwo n LYS 28 N 0.30 2.97 0.00 1.70 2.85 -1.22 -1.74 118.16 123.03 1uwo n LYS 28 Ca -0.07 -4.65 0.00 0.00 -1.05 0.00 0.00 58.31 52.54 1uwo n LYS 28 Cb 0.51 -2.32 0.00 0.00 -0.65 0.00 0.00 35.03 32.58 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 0.95 0.00 -0.22 -1.58 4.81 -1.26 -3.71 118.16 117.14 1uwo n LYS 29 Ca 0.29 0.00 0.31 0.00 -0.87 0.00 0.00 58.31 58.04 1uwo n LYS 29 Cb 0.39 0.00 0.73 0.00 0.02 0.00 0.00 35.03 36.17 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 0.00 -0.47 3.14 0.87 -1.98 0.42 113.55 115.53 1uwo h SER 30 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1uwo h SER 30 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1uwo h SER 30 CO 0.00 0.00 -0.06 -0.33 -0.53 0.00 0.00 176.83 175.91 1uwo h GLU 31 N 0.00 0.86 0.87 2.24 3.07 -1.92 -2.67 114.58 117.03 1uwo h GLU 31 Ca 0.48 -0.30 -0.04 0.00 -0.50 0.00 0.00 59.36 58.99 1uwo h GLU 31 Cb 2.01 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 29.87 1uwo h GLU 31 CO -0.01 0.94 -0.43 -0.07 -1.40 0.00 0.00 179.01 178.04 1uwo h LEU 32 N 0.71 -1.03 -0.99 1.33 3.38 -0.49 -2.49 115.31 115.73 1uwo h LEU 32 Ca 0.13 0.04 0.30 0.00 0.09 0.00 0.00 57.88 58.44 1uwo h LEU 32 Cb 0.58 0.27 -0.18 0.00 0.09 0.00 0.00 40.66 41.42 1uwo h LEU 32 CO 0.03 -0.72 0.14 0.50 0.09 0.00 0.00 178.44 178.49 1uwo h LYS 33 N -1.19 0.02 0.28 1.13 1.63 -1.47 0.20 116.57 117.17 1uwo h LYS 33 Ca -0.12 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1uwo h LYS 33 Cb 0.91 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.51 1uwo h LYS 33 CO 0.19 0.01 -0.46 1.49 -3.45 0.00 0.00 179.45 177.23 1uwo h GLU 34 N 0.02 -0.75 -0.29 1.90 4.22 -1.09 0.45 114.58 119.04 1uwo h GLU 34 Ca 0.65 0.05 0.08 0.00 0.08 0.00 0.00 59.36 60.23 1uwo h GLU 34 Cb 1.44 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 1uwo h GLU 34 CO -0.88 -0.50 0.32 -0.07 -2.18 0.00 0.00 179.01 175.70 1uwo h LEU 35 N -0.78 0.00 -0.39 1.64 -0.00 -0.39 -0.92 115.31 114.48 1uwo h LEU 35 Ca -0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.82 1uwo h LEU 35 Cb 0.72 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.36 1uwo h LEU 35 CO -0.15 0.00 0.12 0.40 -0.00 0.00 0.00 178.44 178.81 1uwo h ILE 36 N 0.00 1.22 0.00 1.22 1.08 0.49 -2.73 117.51 118.78 1uwo h ILE 36 Ca 0.14 -0.71 -0.04 0.00 -0.39 0.00 0.00 64.86 63.85 1uwo h ILE 36 Cb 0.78 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 1uwo h ILE 36 CO -0.00 0.25 -0.26 0.78 -0.69 0.00 0.00 178.15 178.23 1uwo h ASN 37 N 0.49 0.00 -0.97 1.72 -0.26 -0.80 0.35 115.58 116.11 1uwo h ASN 37 Ca 0.13 -0.64 0.17 0.00 -0.56 0.00 0.00 56.30 55.40 1uwo h ASN 37 Cb 0.26 0.00 -0.17 0.00 -1.06 0.00 0.00 38.32 37.35 1uwo h ASN 37 CO -0.00 0.97 -0.32 0.78 -1.06 0.00 0.00 177.43 177.79 1uwo h ASN 38 N -1.00 -1.19 0.26 5.81 4.21 -1.33 0.72 115.58 123.07 1uwo h ASN 38 Ca -0.06 0.30 -0.21 0.00 1.21 0.00 0.00 56.30 57.54 1uwo h ASN 38 Cb 0.81 0.68 -0.04 0.00 -1.12 0.00 0.00 38.32 38.66 1uwo h ASN 38 CO -0.04 -0.30 -1.94 -1.84 -1.29 0.00 0.00 177.43 172.02 1uwo n GLU 39 N -5.54 0.66 -3.21 0.81 0.28 -1.03 -4.62 120.64 107.99 1uwo n GLU 39 Ca 0.12 0.03 -0.23 0.00 -0.16 0.00 0.00 57.16 56.92 1uwo n GLU 39 Cb 0.44 -1.63 -0.06 0.00 1.43 0.00 0.00 31.44 31.62 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 -2.69 1.15 -0.01 -1.84 4.77 0.12 -4.86 117.00 113.64 1uwo n LEU 40 Ca -0.17 -4.94 0.10 0.00 -0.03 0.00 0.00 56.01 50.97 1uwo n LEU 40 Cb 0.90 0.37 -0.16 0.00 -2.33 0.00 0.00 43.42 42.21 1uwo n LEU 40 CO 0.44 2.13 -0.65 -0.24 -1.33 0.00 0.00 177.39 177.73 1uwo n SER 41 N 1.00 0.33 -0.05 -1.43 2.88 0.24 -3.69 113.62 112.90 1uwo n SER 41 Ca 0.24 -0.13 -0.07 0.00 -1.33 0.00 0.00 58.87 57.57 1uwo n SER 41 Cb 0.53 1.82 -0.04 0.00 -0.75 0.00 0.00 64.21 65.77 1uwo n SER 41 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1uwo n HIS 42 N -2.12 0.00 0.24 0.66 8.25 -1.26 -3.09 115.22 117.89 1uwo n HIS 42 Ca -0.03 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.57 1uwo n HIS 42 Cb 0.51 -0.37 0.79 0.00 1.12 0.00 0.00 29.99 32.04 1uwo n HIS 42 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1uwo h PHE 43 N -0.05 0.00 0.00 4.41 0.04 -1.90 0.24 116.94 119.67 1uwo h PHE 43 Ca -0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.55 1uwo h PHE 43 Cb 1.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.47 1uwo h PHE 43 CO 0.00 0.00 -1.14 1.28 -0.60 0.00 0.00 178.31 177.86 1uwo n LEU 44 N -4.10 0.58 -2.51 1.54 4.77 -1.26 -4.95 117.00 111.07 1uwo n LEU 44 Ca -0.01 0.03 -0.04 0.00 -0.03 0.00 0.00 56.01 55.96 1uwo n LEU 44 Cb 0.19 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1uwo n LEU 44 CO 0.30 0.00 0.12 1.21 -1.33 0.00 0.00 177.39 177.70 1uwo n GLU 45 N -2.11 -1.08 -1.75 3.23 2.13 0.07 -2.66 120.64 118.47 1uwo n GLU 45 Ca 0.01 0.84 -0.16 0.00 0.66 0.00 0.00 57.16 58.51 1uwo n GLU 45 Cb 0.47 -4.15 -0.05 0.00 0.27 0.00 0.00 31.44 27.98 1uwo n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1uwo n GLU 46 N -1.98 -1.16 -0.02 5.31 4.07 -1.18 -1.36 120.64 124.32 1uwo n GLU 46 Ca -0.02 0.96 0.00 0.00 -0.06 0.00 0.00 57.16 58.04 1uwo n GLU 46 Cb 0.53 -5.20 0.00 0.00 -0.06 0.00 0.00 31.44 26.71 1uwo n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1uwo n ILE 47 N -3.04 0.00 0.00 6.31 5.41 -1.19 -4.15 119.36 122.69 1uwo n ILE 47 Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1uwo n ILE 47 Cb 0.56 -0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.49 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 -2.00 0.00 0.00 0.38 2.85 -0.47 -3.73 118.16 115.19 1uwo n LYS 48 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1uwo n LYS 48 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1uwo n LYS 48 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1uwo n GLU 49 N 0.00 0.00 -3.21 -1.58 1.02 -1.26 -4.93 120.64 110.68 1uwo n GLU 49 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1uwo n GLU 49 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.46 1uwo n GLU 49 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1uwo n GLN 50 N 0.00 -5.15 0.00 3.49 7.27 -1.24 -4.88 117.38 116.87 1uwo n GLN 50 Ca 0.00 0.82 -0.18 0.00 0.07 0.00 0.00 57.00 57.70 1uwo n GLN 50 Cb 0.00 -5.69 -0.14 0.00 2.41 0.00 0.00 30.24 26.82 1uwo n GLN 50 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1uwo n GLU 51 N -4.17 0.73 -0.07 3.69 4.07 -1.26 -3.49 120.64 120.15 1uwo n GLU 51 Ca -0.07 0.27 -0.06 0.00 -0.06 0.00 0.00 57.16 57.24 1uwo n GLU 51 Cb 0.59 -1.73 -0.15 0.00 -0.06 0.00 0.00 31.44 30.09 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 -3.37 1.23 0.01 6.31 0.31 -1.26 -2.72 118.33 118.84 1uwo n VAL 52 Ca -0.28 -0.79 -0.13 0.00 -0.01 0.00 0.00 64.34 63.13 1uwo n VAL 52 Cb 1.05 -0.49 -0.01 0.00 -0.91 0.00 0.00 33.84 33.47 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 1.33 0.00 2.52 2.07 -1.89 0.02 116.25 120.29 1uwo h VAL 53 Ca -0.42 -2.02 -0.07 0.00 0.82 0.00 0.00 66.70 65.01 1uwo h VAL 53 Cb 2.01 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.77 1uwo h VAL 53 CO 0.03 0.63 -1.19 -0.67 0.02 0.00 0.00 177.57 176.39 1uwo n ASP 54 N -3.90 0.84 0.10 0.57 -0.08 -1.23 -3.88 116.55 108.98 1uwo n ASP 54 Ca -0.05 0.34 0.02 0.00 -1.51 0.00 0.00 54.79 53.59 1uwo n ASP 54 Cb 0.71 0.36 -0.01 0.00 2.34 0.00 0.00 41.12 44.52 1uwo n ASP 54 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1uwo h LYS 55 N 0.00 0.00 -0.20 -0.67 3.64 -1.51 -3.34 116.57 114.50 1uwo h LYS 55 Ca -0.07 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1uwo h LYS 55 Cb 1.24 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1uwo h LYS 55 CO 0.02 0.40 0.11 -0.39 -2.27 0.00 0.00 179.45 177.32 1uwo h VAL 56 N 0.00 1.02 -0.68 2.00 -1.51 -1.10 -0.81 116.25 115.18 1uwo h VAL 56 Ca -0.06 -0.08 0.20 0.00 -1.23 0.00 0.00 66.70 65.53 1uwo h VAL 56 Cb 1.44 0.77 -0.03 0.00 -2.13 0.00 0.00 31.29 31.34 1uwo h VAL 56 CO 0.05 0.04 0.88 -0.03 -1.23 0.00 0.00 177.57 177.29 1uwo h MET 57 N 0.23 0.00 0.11 5.19 1.85 -1.73 0.58 114.93 121.17 1uwo h MET 57 Ca 0.08 0.00 -0.33 0.00 -0.61 0.00 0.00 59.70 58.84 1uwo h MET 57 Cb -0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.01 1uwo h MET 57 CO -0.04 0.00 -1.76 0.93 -0.40 0.00 0.00 176.91 175.65 1uwo h GLU 58 N 0.00 0.24 0.29 0.39 4.39 -1.38 -3.19 114.58 115.33 1uwo h GLU 58 Ca 0.32 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1uwo h GLU 58 Cb 2.08 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.89 1uwo h GLU 58 CO -0.00 1.20 -0.14 1.15 -1.16 0.00 0.00 179.01 180.05 1uwo h THR 59 N -0.15 0.00 -0.37 1.13 2.02 0.50 -3.26 112.91 112.79 1uwo h THR 59 Ca -0.38 -0.47 -0.24 0.00 0.77 0.00 0.00 66.41 66.08 1uwo h THR 59 Cb 1.89 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.20 1uwo h THR 59 CO 0.05 0.00 0.13 0.00 0.37 0.00 0.00 175.52 176.08 1uwo n LEU 60 N -4.37 5.92 -4.60 2.58 -0.00 0.90 -4.88 117.00 112.54 1uwo n LEU 60 Ca -0.05 -3.19 -0.43 0.00 -0.00 0.00 0.00 56.01 52.34 1uwo n LEU 60 Cb 0.16 -1.19 -0.02 0.00 -0.00 0.00 0.00 43.42 42.37 1uwo n LEU 60 CO 0.12 1.37 1.12 1.51 -0.00 0.00 0.00 177.39 181.50 1uwo s ASP 61 N 1.08 6.50 0.17 1.45 -4.77 -1.20 -4.77 116.67 115.13 1uwo s ASP 61 Ca 0.36 0.61 -0.20 0.00 -3.30 0.00 0.00 52.55 50.02 1uwo s ASP 61 Cb 0.22 -2.55 0.10 0.00 -1.09 0.00 0.00 42.92 39.60 1uwo s ASP 61 CO -0.05 -1.34 1.62 -1.13 0.70 0.00 0.00 175.17 174.98 1uwo h ASN 62 N 9.87 -0.78 0.00 2.11 -1.24 -1.86 -3.39 115.58 120.29 1uwo h ASN 62 Ca -0.25 0.17 -0.03 0.00 0.71 0.00 0.00 56.30 56.90 1uwo h ASN 62 Cb 1.08 0.40 -0.03 0.00 0.73 0.00 0.00 38.32 40.50 1uwo h ASN 62 CO 1.11 -0.25 -0.06 0.47 -1.29 0.00 0.00 177.43 177.41 1uwo n ASP 63 N -5.39 -0.22 -2.10 1.15 8.00 -1.26 -4.96 116.55 111.78 1uwo n ASP 63 Ca 0.02 -0.94 -0.01 0.00 0.71 0.00 0.00 54.79 54.57 1uwo n ASP 63 Cb 0.31 0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.46 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 -3.87 0.00 0.44 0.00 -1.26 -4.96 105.19 95.54 1uwo n GLY 64 Ca -0.06 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.60 0.00 0.00 1.61 9.92 -1.26 -4.95 116.55 122.47 1uwo n ASP 65 Ca -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 1uwo n ASP 65 Cb 0.16 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 1uwo n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1uwo n GLY 66 N 0.00 1.44 3.09 0.44 0.00 -1.26 -5.06 105.19 103.83 1uwo n GLY 66 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.14 2.48 0.13 1.61 -1.05 -1.24 -3.43 118.70 117.06 1uwo s GLU 67 Ca 0.00 -2.48 -0.31 0.00 -0.15 0.00 0.00 54.97 52.03 1uwo s GLU 67 Cb 0.00 -3.69 -0.08 0.00 -0.44 0.00 0.00 34.13 29.92 1uwo s GLU 67 CO 0.00 -1.16 1.36 0.00 0.95 0.00 0.00 175.26 176.41 1uwo s ASP 69 N 0.95 5.49 0.18 0.00 1.11 -1.26 -3.03 116.67 120.11 1uwo s ASP 69 Ca 0.63 -0.52 -0.14 0.00 0.18 0.00 0.00 52.55 52.69 1uwo s ASP 69 Cb -0.36 -0.58 0.17 0.00 1.07 0.00 0.00 42.92 43.22 1uwo s ASP 69 CO 0.32 -0.77 1.68 0.15 1.18 0.00 0.00 175.17 177.73 1uwo h PHE 70 N 0.70 -0.04 -0.93 4.23 3.04 -1.96 0.94 116.94 122.91 1uwo h PHE 70 Ca -0.40 0.04 0.14 0.00 3.98 0.00 0.00 57.97 61.73 1uwo h PHE 70 Cb 1.28 0.09 -0.09 0.00 2.56 0.00 0.00 35.95 39.79 1uwo h PHE 70 CO 0.43 -0.11 0.55 -0.56 -2.02 0.00 0.00 178.31 176.60 1uwo h GLN 71 N 0.11 0.79 0.00 1.11 3.07 -2.01 0.37 115.11 118.55 1uwo h GLN 71 Ca 0.24 -0.05 -0.05 0.00 0.09 0.00 0.00 58.65 58.89 1uwo h GLN 71 Cb 0.36 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 27.74 1uwo h GLN 71 CO -0.41 0.52 -0.23 1.05 0.09 0.00 0.00 178.83 179.86 1uwo h GLU 72 N 0.81 0.00 0.22 0.06 -0.00 -1.32 -2.87 114.58 111.49 1uwo h GLU 72 Ca 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.84 1uwo h GLU 72 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.36 1uwo h GLU 72 CO -0.32 0.23 -0.11 0.35 -0.00 0.00 0.00 179.01 179.16 1uwo h PHE 73 N 0.00 -0.28 -0.77 2.06 3.57 0.20 0.38 116.94 122.10 1uwo h PHE 73 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1uwo h PHE 73 Cb 0.90 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1uwo h PHE 73 CO 0.00 -0.02 0.49 0.00 -2.23 0.00 0.00 178.31 176.55 1uwo h MET 74 N -0.50 1.03 0.00 1.11 -0.00 -1.40 0.76 114.93 115.93 1uwo h MET 74 Ca -0.03 -0.08 0.00 0.00 -0.00 0.00 0.00 59.70 59.59 1uwo h MET 74 Cb 0.38 -0.23 0.00 0.00 -0.00 0.00 0.00 31.60 31.75 1uwo h MET 74 CO 0.05 0.70 0.00 0.00 -0.00 0.00 0.00 176.91 177.66 1uwo h ALA 75 N 1.48 1.00 0.07 -3.00 0.00 -1.25 -0.08 119.26 117.49 1uwo h ALA 75 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1uwo h ALA 75 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1uwo h ALA 75 CO -0.06 0.00 -0.03 0.35 0.00 0.00 0.00 179.25 179.51 1uwo h PHE 76 N 0.00 -0.09 -0.07 0.00 3.04 0.22 -2.56 116.94 117.48 1uwo h PHE 76 Ca 0.00 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 1uwo h PHE 76 Cb 0.61 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 1uwo h PHE 76 CO 0.00 -0.05 -0.29 0.28 -2.02 0.00 0.00 178.31 176.23 1uwo h VAL 77 N -0.19 1.24 -0.94 1.41 2.07 -1.55 -2.48 116.25 115.80 1uwo h VAL 77 Ca -0.01 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.42 1uwo h VAL 77 Cb 0.07 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1uwo h VAL 77 CO 0.02 0.33 0.62 0.00 0.02 0.00 0.00 177.57 178.56 1uwo h ALA 78 N 1.60 1.21 -0.35 1.67 0.00 -1.10 0.75 119.26 123.04 1uwo h ALA 78 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1uwo h ALA 78 Cb 0.57 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1uwo h ALA 78 CO 0.04 0.56 0.00 -1.33 0.00 0.00 0.00 179.25 178.53 1uwo n MET 79 N -4.44 0.00 -0.04 0.00 2.81 -0.97 -1.66 117.12 112.82 1uwo n MET 79 Ca 0.11 0.44 0.22 0.00 -1.81 0.00 0.00 57.70 56.67 1uwo n MET 79 Cb 0.03 -1.00 0.49 0.00 -0.71 0.00 0.00 33.22 32.03 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 0.09 0.02 2.03 -1.51 -1.54 2.66 116.25 118.00 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 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.36 1uwo h VAL 80 CO 0.00 0.00 -0.01 0.74 -1.23 0.00 0.00 177.57 177.07 1uwo h THR 81 N 0.00 0.00 0.01 7.19 2.02 -0.88 -3.25 112.91 118.00 1uwo h THR 81 Ca 0.33 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.39 1uwo h THR 81 Cb 2.23 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1uwo h THR 81 CO -0.00 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.81 1uwo h THR 82 N -0.12 1.76 -0.91 3.16 1.03 -0.27 -1.89 112.91 115.66 1uwo h THR 82 Ca -0.00 -2.35 0.38 0.00 -0.01 0.00 0.00 66.41 64.43 1uwo h THR 82 Cb 0.02 3.35 -0.16 0.00 -1.07 0.00 0.00 68.15 70.29 1uwo h THR 82 CO 0.00 0.61 0.49 0.00 -0.01 0.00 0.00 175.52 176.61 1uwo n ALA 83 N -2.64 0.93 -0.01 0.00 0.00 0.88 0.13 120.51 119.80 1uwo n ALA 83 Ca -0.11 0.93 -0.12 0.00 0.00 0.00 0.00 53.44 54.14 1uwo n ALA 83 Cb 0.50 -0.93 -0.14 0.00 0.00 0.00 0.00 19.45 18.89 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 -3.18 0.00 0.02 0.00 8.25 0.35 -2.36 115.22 118.30 1uwo n HIS 85 Ca -0.21 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.07 1uwo n HIS 85 Cb 1.05 -0.50 -0.11 0.00 1.12 0.00 0.00 29.99 31.55 1uwo n HIS 85 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1uwo h GLU 86 N 0.00 0.45 -1.48 -0.41 5.08 -0.86 -3.15 114.58 114.22 1uwo h GLU 86 Ca 0.00 -0.52 0.43 0.00 -1.00 0.00 0.00 59.36 58.28 1uwo h GLU 86 Cb 0.16 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 1uwo h GLU 86 CO 0.00 1.17 1.05 0.74 -1.00 0.00 0.00 179.01 180.96 1uwo h PHE 87 N -0.04 0.12 0.15 4.33 -1.00 -1.66 0.50 116.94 119.34 1uwo h PHE 87 Ca -0.10 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.48 1uwo h PHE 87 Cb 1.43 -0.03 0.02 0.00 3.61 0.00 0.00 35.95 40.99 1uwo h PHE 87 CO 0.14 -0.02 -0.90 0.35 -1.61 0.00 0.00 178.31 176.26 1uwo h PHE 88 N 0.04 0.62 -1.19 -0.55 3.04 -1.71 -3.47 116.94 113.71 1uwo h PHE 88 Ca 0.74 -0.45 -0.30 0.00 3.98 0.00 0.00 57.97 61.94 1uwo h PHE 88 Cb 2.80 -0.03 -0.08 0.00 2.56 0.00 0.00 35.95 41.20 1uwo h PHE 88 CO -0.00 1.34 -0.31 -1.91 -2.02 0.00 0.00 178.31 175.41 1uwo n GLU 89 N -4.07 -1.08 -3.43 1.11 2.13 0.18 -4.94 120.64 110.54 1uwo n GLU 89 Ca -0.14 0.91 -0.25 0.00 0.66 0.00 0.00 57.16 58.34 1uwo n GLU 89 Cb 0.86 -5.11 -0.11 0.00 0.27 0.00 0.00 31.44 27.36 1uwo n GLU 89 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1uwo s HIS 90 N -2.61 0.42 -2.00 4.31 2.46 -1.26 -5.13 115.29 111.47 1uwo s HIS 90 Ca 0.00 -1.41 0.28 0.00 0.47 0.00 0.00 55.06 54.40 1uwo s HIS 90 Cb 0.00 -0.75 1.69 0.00 -0.13 0.00 0.00 32.58 33.39 1uwo s HIS 90 CO 0.00 -0.87 2.03 0.39 -2.47 0.00 0.00 174.74 173.82