#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 -0.13 0.00 1.43 4.39 -2.03 -2.76 114.58 115.49 1uwo h GLU 2 Ca 0.00 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 1uwo h GLU 2 Cb 0.00 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1uwo h GLU 2 CO 0.00 0.33 -0.59 -0.07 -1.16 0.00 0.00 179.01 177.52 1uwo h LEU 3 N -0.64 0.00 0.49 1.33 4.07 -2.03 -1.35 115.31 117.18 1uwo h LEU 3 Ca -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 1uwo h LEU 3 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1uwo h LEU 3 CO 0.02 0.59 -0.27 -0.08 -1.08 0.00 0.00 178.44 177.62 1uwo h GLU 4 N 0.00 -0.68 -0.53 1.13 4.81 -1.98 1.14 114.58 118.48 1uwo h GLU 4 Ca -0.01 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1uwo h GLU 4 Cb 1.07 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1uwo h GLU 4 CO 0.08 -0.45 0.22 0.87 -0.73 0.00 0.00 179.01 178.99 1uwo h LYS 5 N -0.71 0.78 0.00 1.92 1.57 -1.56 -0.71 116.57 117.87 1uwo h LYS 5 Ca -0.07 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1uwo h LYS 5 Cb 0.55 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1uwo h LYS 5 CO 0.09 0.68 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 1uwo n ALA 6 N -2.34 1.56 -0.08 3.86 0.00 -0.51 -2.01 120.51 121.00 1uwo n ALA 6 Ca 0.02 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 1uwo n ALA 6 Cb 0.15 -1.20 -0.09 0.00 0.00 0.00 0.00 19.45 18.31 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 0.00 0.00 2.86 0.29 -2.31 114.93 115.77 1uwo h MET 7 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1uwo h MET 7 Cb 0.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1uwo h MET 7 CO 0.00 0.73 -0.02 0.28 1.06 0.00 0.00 176.91 178.96 1uwo h VAL 8 N -1.00 0.05 0.00 -2.22 2.07 -1.37 -1.88 116.25 111.90 1uwo h VAL 8 Ca -0.09 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1uwo h VAL 8 Cb 0.86 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1uwo h VAL 8 CO -0.06 0.02 -0.18 0.00 0.02 0.00 0.00 177.57 177.37 1uwo h ALA 9 N 1.98 0.00 -0.93 1.67 0.00 -1.51 -2.55 119.26 117.92 1uwo h ALA 9 Ca -0.00 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.86 1uwo h ALA 9 Cb 0.46 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1uwo h ALA 9 CO 0.00 0.18 0.60 -0.07 0.00 0.00 0.00 179.25 179.95 1uwo h LEU 10 N -0.98 0.79 0.47 0.00 -0.00 -1.45 0.54 115.31 114.68 1uwo h LEU 10 Ca 0.00 0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1uwo h LEU 10 Cb 0.18 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 1uwo h LEU 10 CO 0.00 0.42 -0.22 0.40 -0.00 0.00 0.00 178.44 179.04 1uwo h ILE 11 N 0.85 0.30 0.00 1.22 2.04 -1.48 -0.40 117.51 120.05 1uwo h ILE 11 Ca 0.46 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1uwo h ILE 11 Cb 0.56 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1uwo h ILE 11 CO -0.22 0.06 0.17 -0.78 0.00 0.00 0.00 178.15 177.37 1uwo h ASP 12 N -1.03 0.00 0.59 1.72 3.58 -1.06 0.14 116.42 120.35 1uwo h ASP 12 Ca -0.06 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.11 1uwo h ASP 12 Cb 0.57 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.58 1uwo h ASP 12 CO 0.10 0.00 -1.58 0.58 -2.88 0.00 0.00 179.24 175.47 1uwo h VAL 13 N 0.00 0.99 -0.53 2.25 2.07 -0.60 -2.50 116.25 117.93 1uwo h VAL 13 Ca 0.00 -2.81 -0.08 0.00 0.82 0.00 0.00 66.70 64.62 1uwo h VAL 13 Cb 0.33 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 1uwo h VAL 13 CO 0.00 0.56 0.00 0.15 0.02 0.00 0.00 177.57 178.30 1uwo h PHE 14 N 0.00 1.02 0.11 1.57 3.57 0.10 -1.83 116.94 121.48 1uwo h PHE 14 Ca -0.23 -0.18 -0.21 0.00 3.53 0.00 0.00 57.97 60.88 1uwo h PHE 14 Cb 1.96 -0.27 0.02 0.00 2.79 0.00 0.00 35.95 40.46 1uwo h PHE 14 CO 0.00 0.94 -0.87 1.25 -2.23 0.00 0.00 178.31 177.40 1uwo h HIS 15 N 0.81 0.67 -0.00 0.41 2.76 -1.62 -2.58 115.15 115.60 1uwo h HIS 15 Ca 0.15 -0.44 0.03 0.00 -2.20 0.00 0.00 60.37 57.91 1uwo h HIS 15 Cb 0.53 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.39 1uwo h HIS 15 CO 0.04 1.31 -0.34 0.37 -1.30 0.00 0.00 177.93 178.01 1uwo h GLN 16 N -0.15 -0.47 -0.62 5.26 4.15 -1.41 -0.57 115.11 121.29 1uwo h GLN 16 Ca -0.14 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1uwo h GLN 16 Cb 1.63 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 29.40 1uwo h GLN 16 CO 0.17 -0.31 0.39 1.88 -1.93 0.00 0.00 178.83 179.02 1uwo h TYR 17 N -0.49 0.79 -0.07 3.99 -1.99 -1.44 -0.50 116.97 117.27 1uwo h TYR 17 Ca 0.06 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.82 1uwo h TYR 17 Cb 0.58 -0.26 -0.00 0.00 2.00 0.00 0.00 36.73 39.04 1uwo h TYR 17 CO -0.36 0.52 0.17 0.66 -0.00 0.00 0.00 178.16 179.15 1uwo h SER 18 N 0.83 0.00 0.05 3.88 4.64 -0.91 0.37 113.55 122.42 1uwo h SER 18 Ca 0.22 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.38 1uwo h SER 18 Cb -0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1uwo h SER 18 CO -0.05 0.00 -0.55 1.23 -0.87 0.00 0.00 176.83 176.59 1uwo h GLY 19 N 0.00 0.58 -0.60 -0.77 0.00 0.47 -3.06 103.07 99.68 1uwo h GLY 19 Ca 0.03 -0.67 0.21 0.00 0.00 0.00 0.00 47.33 46.90 1uwo h GLY 19 CO -0.00 0.61 0.02 3.21 0.00 0.00 0.00 176.54 180.37 1uwo h ARG 20 N 0.41 0.08 -7.19 4.80 2.47 -0.91 -3.40 114.38 110.63 1uwo h ARG 20 Ca 0.01 -0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.22 1uwo h ARG 20 Cb 1.09 -0.02 0.09 0.00 -1.65 0.00 0.00 29.97 29.49 1uwo h ARG 20 CO 0.10 0.05 0.38 -2.00 0.56 0.00 0.00 179.97 179.06 1uwo s GLU 21 N -6.07 2.91 0.59 0.04 -6.30 -1.19 -4.83 118.70 103.85 1uwo s GLU 21 Ca -0.13 1.38 0.31 0.00 -2.50 0.00 0.00 54.97 54.03 1uwo s GLU 21 Cb 0.25 -1.97 1.24 0.00 0.00 0.00 0.00 34.13 33.66 1uwo s GLU 21 CO 0.77 -1.16 1.55 0.78 0.02 0.00 0.00 175.26 177.21 1uwo h GLY 22 N 0.16 0.00 0.00 -1.50 0.00 -1.87 -3.38 103.07 96.48 1uwo h GLY 22 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1uwo h GLY 22 CO 0.55 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.43 1uwo n ASP 23 N -3.54 0.00 -2.68 0.19 -0.08 -1.26 -5.08 116.55 104.10 1uwo n ASP 23 Ca 0.22 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.45 1uwo n ASP 23 Cb 1.33 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.88 1uwo n ASP 23 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1uwo n LYS 24 N 0.00 0.25 0.00 -0.67 4.81 -1.16 -4.31 118.16 117.08 1uwo n LYS 24 Ca 0.00 -0.88 0.00 0.00 -0.87 0.00 0.00 58.31 56.56 1uwo n LYS 24 Cb 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 35.03 34.68 1uwo n LYS 24 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1uwo n HIS 25 N 1.07 0.00 -4.29 5.64 8.25 -1.24 -4.75 115.22 119.90 1uwo n HIS 25 Ca -0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.29 1uwo n HIS 25 Cb 0.72 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.73 1uwo n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1uwo s LYS 26 N -0.80 1.17 0.46 -0.41 1.02 -1.26 -4.81 119.74 115.11 1uwo s LYS 26 Ca 0.00 -1.49 0.03 0.00 0.02 0.00 0.00 55.97 54.52 1uwo s LYS 26 Cb 0.00 -0.85 0.01 0.00 -0.52 0.00 0.00 37.83 36.47 1uwo s LYS 26 CO 0.00 0.13 0.66 -0.51 -0.92 0.00 0.00 175.35 174.71 1uwo s LEU 27 N -3.18 3.58 -0.49 3.17 1.02 -1.26 -4.53 118.68 116.99 1uwo s LEU 27 Ca 0.19 0.02 0.04 0.00 0.02 0.00 0.00 54.13 54.40 1uwo s LEU 27 Cb 0.01 -2.93 0.17 0.00 0.02 0.00 0.00 46.19 43.45 1uwo s LEU 27 CO 0.03 -0.81 0.39 2.29 0.02 0.00 0.00 176.35 178.27 1uwo n LYS 28 N -2.07 0.65 0.00 1.70 2.85 -1.25 -2.34 118.16 117.71 1uwo n LYS 28 Ca 0.04 -3.54 0.00 0.00 -1.05 0.00 0.00 58.31 53.76 1uwo n LYS 28 Cb 0.59 -1.84 0.00 0.00 -0.65 0.00 0.00 35.03 33.12 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 2.58 0.00 -0.27 -1.58 4.81 -1.26 -3.73 118.16 118.71 1uwo n LYS 29 Ca 0.27 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.74 1uwo n LYS 29 Cb 0.44 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.60 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 -0.67 -0.28 3.14 0.02 -1.99 0.59 113.55 114.36 1uwo h SER 30 Ca 0.00 0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1uwo h SER 30 Cb 0.00 0.46 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1uwo h SER 30 CO 0.00 -0.25 0.06 -0.33 -1.14 0.00 0.00 176.83 175.17 1uwo h GLU 31 N 0.01 0.54 0.00 3.45 4.39 -1.93 -2.63 114.58 118.41 1uwo h GLU 31 Ca 0.38 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1uwo h GLU 31 Cb 0.60 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1uwo h GLU 31 CO -0.78 0.52 0.00 1.28 -1.16 0.00 0.00 179.01 178.87 1uwo n LEU 32 N -4.32 0.00 -0.35 1.33 4.32 0.20 -1.76 117.00 116.42 1uwo n LEU 32 Ca 0.02 0.96 0.29 0.00 -0.02 0.00 0.00 56.01 57.26 1uwo n LEU 32 Cb 0.20 -0.49 0.55 0.00 -1.62 0.00 0.00 43.42 42.06 1uwo n LEU 32 CO 0.38 -0.49 1.12 0.50 -1.22 0.00 0.00 177.39 177.68 1uwo h LYS 33 N 0.00 0.15 0.57 3.23 3.64 -1.37 0.20 116.57 122.98 1uwo h LYS 33 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1uwo h LYS 33 Cb 0.00 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1uwo h LYS 33 CO 0.00 0.10 -0.33 0.93 -2.27 0.00 0.00 179.45 177.87 1uwo h GLU 34 N 0.15 -0.82 -1.15 1.90 3.07 -1.25 -1.05 114.58 115.43 1uwo h GLU 34 Ca 0.79 0.06 0.33 0.00 -0.50 0.00 0.00 59.36 60.04 1uwo h GLU 34 Cb 2.06 0.19 -0.10 0.00 -0.84 0.00 0.00 28.75 30.06 1uwo h GLU 34 CO -0.64 -0.55 0.76 1.25 -1.40 0.00 0.00 179.01 178.43 1uwo h LEU 35 N -0.85 0.32 -0.27 1.33 7.12 0.23 0.58 115.31 123.77 1uwo h LEU 35 Ca -0.07 0.08 -0.20 0.00 0.13 0.00 0.00 57.88 57.83 1uwo h LEU 35 Cb 0.69 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.86 1uwo h LEU 35 CO 0.08 -0.00 -0.66 0.40 -0.13 0.00 0.00 178.44 178.13 1uwo h ILE 36 N 0.25 1.29 0.00 4.05 5.03 -0.95 -1.73 117.51 125.44 1uwo h ILE 36 Ca 0.66 -1.86 0.00 0.00 -0.12 0.00 0.00 64.86 63.53 1uwo h ILE 36 Cb 1.94 1.82 0.00 0.00 -3.03 0.00 0.00 36.82 37.54 1uwo h ILE 36 CO -0.28 0.60 0.00 0.59 -0.68 0.00 0.00 178.15 178.37 1uwo n ASN 37 N -3.96 0.00 -0.03 1.72 3.02 0.18 -1.51 115.26 114.68 1uwo n ASN 37 Ca -0.05 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 1uwo n ASN 37 Cb 0.68 -0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.66 1uwo n ASN 37 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1uwo n ASN 38 N -1.09 1.86 -0.13 6.41 2.85 -0.08 -4.32 115.26 120.77 1uwo n ASN 38 Ca 0.20 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.43 1uwo n ASN 38 Cb 0.14 1.22 -0.11 0.00 1.24 0.00 0.00 39.78 42.27 1uwo n ASN 38 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1uwo n GLU 39 N -2.22 0.62 -0.21 1.20 0.00 -0.67 -4.44 120.64 114.92 1uwo n GLU 39 Ca -0.12 0.22 -0.02 0.00 0.00 0.00 0.00 57.16 57.24 1uwo n GLU 39 Cb 0.64 -1.52 0.09 0.00 0.00 0.00 0.00 31.44 30.65 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 -0.49 0.42 -2.89 4.31 -0.00 -1.49 -3.47 115.31 111.69 1uwo h LEU 40 Ca -0.63 0.04 -0.05 0.00 -0.00 0.00 0.00 57.88 57.24 1uwo h LEU 40 Cb 1.76 -0.03 0.04 0.00 -0.00 0.00 0.00 40.66 42.42 1uwo h LEU 40 CO -0.25 0.27 -0.17 -0.24 -0.00 0.00 0.00 178.44 178.05 1uwo n SER 41 N -4.87 -2.92 0.00 -0.43 2.88 -1.26 -3.49 113.62 103.52 1uwo n SER 41 Ca 0.07 -0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1uwo n SER 41 Cb 0.19 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.22 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 -1.84 0.00 0.28 0.66 8.25 -1.26 -4.84 115.22 116.47 1uwo n HIS 42 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 1uwo n HIS 42 Cb 0.52 -0.25 0.81 0.00 1.12 0.00 0.00 29.99 32.19 1uwo n HIS 42 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1uwo h PHE 43 N 0.00 0.00 0.00 4.41 3.57 -1.92 -2.57 116.94 120.44 1uwo h PHE 43 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1uwo h PHE 43 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1uwo h PHE 43 CO 0.00 0.00 -0.85 1.28 -2.23 0.00 0.00 178.31 176.52 1uwo n LEU 44 N -4.11 0.16 -2.88 0.59 4.32 -1.26 -4.99 117.00 108.83 1uwo n LEU 44 Ca -0.03 -0.24 -0.10 0.00 -0.02 0.00 0.00 56.01 55.62 1uwo n LEU 44 Cb 0.09 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 41.93 1uwo n LEU 44 CO 0.30 0.04 0.07 1.21 -1.22 0.00 0.00 177.39 177.79 1uwo n GLU 45 N -1.47 -1.67 -3.22 3.23 0.00 -0.97 -4.09 120.64 112.46 1uwo n GLU 45 Ca -0.00 0.81 -0.20 0.00 0.00 0.00 0.00 57.16 57.77 1uwo n GLU 45 Cb 0.15 -4.97 0.02 0.00 0.00 0.00 0.00 31.44 26.63 1uwo n GLU 45 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1uwo n GLU 46 N -2.65 -1.81 -1.42 5.31 2.13 -1.26 -4.73 120.64 116.21 1uwo n GLU 46 Ca -0.05 1.57 -0.44 0.00 0.66 0.00 0.00 57.16 58.91 1uwo n GLU 46 Cb 0.58 -2.90 -0.01 0.00 0.27 0.00 0.00 31.44 29.38 1uwo n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1uwo n ILE 47 N 0.23 1.60 0.00 6.31 -0.00 -1.26 -4.84 119.36 121.41 1uwo n ILE 47 Ca -0.02 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.23 1uwo n ILE 47 Cb 0.52 -0.34 0.00 0.00 -0.00 0.00 0.00 39.64 39.83 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 0.88 0.00 0.03 0.38 2.85 -1.26 -4.84 118.16 116.20 1uwo n LYS 48 Ca 0.13 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.44 1uwo n LYS 48 Cb 0.35 -0.03 0.22 0.00 -0.65 0.00 0.00 35.03 34.91 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 -2.37 0.03 -2.15 -1.58 1.02 -1.26 -4.84 120.64 109.48 1uwo n GLU 49 Ca 0.00 0.41 -0.04 0.00 -0.02 0.00 0.00 57.16 57.51 1uwo n GLU 49 Cb 0.00 -1.57 0.02 0.00 -0.02 0.00 0.00 31.44 29.86 1uwo n GLU 49 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1uwo n GLN 50 N -1.63 -1.12 0.00 3.49 6.02 -1.26 -4.99 117.38 117.88 1uwo n GLN 50 Ca 0.01 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1uwo n GLN 50 Cb 0.09 -2.96 0.00 0.00 1.02 0.00 0.00 30.24 28.39 1uwo n GLN 50 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1uwo n GLU 51 N -1.81 0.00 0.03 -1.09 0.28 -1.26 -3.95 120.64 112.84 1uwo n GLU 51 Ca -0.05 0.22 0.02 0.00 -0.16 0.00 0.00 57.16 57.19 1uwo n GLU 51 Cb 0.53 -0.71 -0.09 0.00 1.43 0.00 0.00 31.44 32.61 1uwo n GLU 51 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1uwo n VAL 52 N -2.22 1.01 0.33 3.84 0.31 -1.26 -3.45 118.33 116.89 1uwo n VAL 52 Ca 0.00 -0.67 0.13 0.00 -0.01 0.00 0.00 64.34 63.79 1uwo n VAL 52 Cb 0.00 -0.59 0.29 0.00 -0.91 0.00 0.00 33.84 32.64 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 0.00 0.12 2.52 2.07 -1.99 -1.53 116.25 117.45 1uwo h VAL 53 Ca -0.16 -0.80 -0.34 0.00 0.82 0.00 0.00 66.70 66.23 1uwo h VAL 53 Cb 1.51 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1uwo h VAL 53 CO 0.03 0.00 -1.79 -0.78 0.02 0.00 0.00 177.57 175.05 1uwo h ASP 54 N 0.00 0.41 0.24 0.57 3.58 -1.69 -3.08 116.42 116.45 1uwo h ASP 54 Ca 0.00 -0.73 -0.31 0.00 0.42 0.00 0.00 57.03 56.41 1uwo h ASP 54 Cb 0.86 -0.13 0.03 0.00 1.72 0.00 0.00 39.33 41.81 1uwo h ASP 54 CO 0.00 1.63 -1.33 0.11 -2.88 0.00 0.00 179.24 176.78 1uwo h LYS 55 N 0.07 0.55 -0.26 0.28 1.57 -1.59 -3.32 116.57 113.86 1uwo h LYS 55 Ca -0.34 -0.82 -0.03 0.00 -1.87 0.00 0.00 60.65 57.59 1uwo h LYS 55 Cb 2.04 0.29 -0.01 0.00 0.08 0.00 0.00 32.23 34.63 1uwo h LYS 55 CO 0.13 1.38 0.05 -0.39 -0.57 0.00 0.00 179.45 180.04 1uwo h VAL 56 N 0.20 1.23 -0.95 0.50 -1.51 -1.44 -2.50 116.25 111.79 1uwo h VAL 56 Ca -0.21 -0.77 0.27 0.00 -1.23 0.00 0.00 66.70 64.77 1uwo h VAL 56 Cb 2.01 1.22 -0.04 0.00 -2.13 0.00 0.00 31.29 32.36 1uwo h VAL 56 CO 0.25 0.25 1.03 -0.03 -1.23 0.00 0.00 177.57 177.84 1uwo h MET 57 N 0.25 0.00 0.05 5.19 -1.53 -1.63 0.30 114.93 117.55 1uwo h MET 57 Ca 0.08 0.00 -0.21 0.00 -3.44 0.00 0.00 59.70 56.13 1uwo h MET 57 Cb 0.32 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.36 1uwo h MET 57 CO 0.00 0.00 -1.10 0.93 0.14 0.00 0.00 176.91 176.88 1uwo h GLU 58 N 0.00 0.11 0.00 0.39 4.39 -1.59 -2.99 114.58 114.88 1uwo h GLU 58 Ca 0.45 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1uwo h GLU 58 Cb 2.51 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 31.23 1uwo h GLU 58 CO -0.00 1.09 0.00 -2.37 -1.16 0.00 0.00 179.01 176.56 1uwo n THR 59 N -4.23 1.08 -0.01 1.13 5.66 0.79 -3.73 114.28 114.97 1uwo n THR 59 Ca -0.25 0.27 -0.01 0.00 -3.05 0.00 0.00 64.05 61.01 1uwo n THR 59 Cb 0.74 -1.04 -0.00 0.00 -1.55 0.00 0.00 70.33 68.48 1uwo n THR 59 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1uwo n LEU 60 N -1.49 0.27 -4.56 1.09 4.77 0.22 -4.69 117.00 112.60 1uwo n LEU 60 Ca 0.03 0.19 -0.20 0.00 -0.03 0.00 0.00 56.01 56.00 1uwo n LEU 60 Cb 0.15 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 40.63 1uwo n LEU 60 CO 0.12 -0.48 1.28 1.51 -1.33 0.00 0.00 177.39 178.49 1uwo s ASP 61 N -4.02 4.44 0.00 -1.43 -4.77 -1.13 -4.66 116.67 105.11 1uwo s ASP 61 Ca -0.03 -0.56 0.28 0.00 -3.30 0.00 0.00 52.55 48.94 1uwo s ASP 61 Cb 0.00 -2.56 1.07 0.00 -1.09 0.00 0.00 42.92 40.34 1uwo s ASP 61 CO 0.04 -3.47 1.80 -3.20 0.70 0.00 0.00 175.17 171.04 1uwo n ASN 62 N 16.52 0.17 -0.00 2.11 5.15 -1.26 -3.39 115.26 134.55 1uwo n ASN 62 Ca 0.43 0.18 0.06 0.00 -0.60 0.00 0.00 54.58 54.66 1uwo n ASN 62 Cb 0.45 -0.26 -0.13 0.00 -0.53 0.00 0.00 39.78 39.31 1uwo n ASN 62 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1uwo n ASP 63 N -1.44 0.25 -1.51 1.20 2.03 -1.26 -5.03 116.55 110.78 1uwo n ASP 63 Ca 0.08 0.10 -0.00 0.00 0.52 0.00 0.00 54.79 55.49 1uwo n ASP 63 Cb 0.33 1.35 0.00 0.00 -0.72 0.00 0.00 41.12 42.07 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 1.35 -0.20 0.00 0.27 0.00 -1.22 -5.00 105.19 100.39 1uwo n GLY 64 Ca -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.05 0.00 -3.58 1.61 2.03 -1.26 -5.00 116.55 109.30 1uwo n ASP 65 Ca -0.00 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.08 1uwo n ASP 65 Cb 0.50 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.92 1uwo n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uwo n GLY 66 N 0.00 -1.13 2.53 0.27 0.00 -1.26 -4.96 105.19 100.63 1uwo n GLY 66 Ca 0.00 0.50 -0.23 0.00 0.00 0.00 0.00 46.02 46.29 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 -5.07 0.77 0.70 1.61 2.02 -1.11 -3.82 118.70 113.81 1uwo s GLU 67 Ca 0.25 -1.53 -0.13 0.00 0.02 0.00 0.00 54.97 53.58 1uwo s GLU 67 Cb -0.09 -1.08 0.02 0.00 0.10 0.00 0.00 34.13 33.08 1uwo s GLU 67 CO 0.85 -1.30 1.10 0.00 0.02 0.00 0.00 175.26 175.93 1uwo s ASP 69 N -2.93 4.11 0.09 0.00 1.11 -1.26 -4.04 116.67 113.74 1uwo s ASP 69 Ca 0.64 -1.33 -0.25 0.00 0.18 0.00 0.00 52.55 51.79 1uwo s ASP 69 Cb -0.19 -0.22 -0.14 0.00 1.07 0.00 0.00 42.92 43.44 1uwo s ASP 69 CO 0.47 -0.58 1.71 0.15 1.18 0.00 0.00 175.17 178.11 1uwo h PHE 70 N 1.55 -0.19 -0.98 4.23 3.04 -1.97 0.68 116.94 123.30 1uwo h PHE 70 Ca -0.43 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.58 1uwo h PHE 70 Cb 1.26 0.07 -0.07 0.00 2.56 0.00 0.00 35.95 39.77 1uwo h PHE 70 CO 0.85 -0.12 0.63 -0.56 -2.02 0.00 0.00 178.31 177.09 1uwo h GLN 71 N -0.18 1.11 0.00 1.11 3.07 -2.01 0.17 115.11 118.38 1uwo h GLN 71 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.67 1uwo h GLN 71 Cb 0.16 -0.25 0.00 0.00 0.08 0.00 0.00 27.48 27.47 1uwo h GLN 71 CO -0.00 0.74 0.00 0.93 0.09 0.00 0.00 178.83 180.58 1uwo h GLU 72 N 1.14 0.00 0.29 0.06 5.08 -1.78 -2.68 114.58 116.69 1uwo h GLU 72 Ca 0.42 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1uwo h GLU 72 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1uwo h GLU 72 CO -0.17 0.00 -0.14 0.35 -1.00 0.00 0.00 179.01 178.05 1uwo h PHE 73 N 0.00 -0.36 -0.70 4.33 3.57 0.34 0.24 116.94 124.36 1uwo h PHE 73 Ca 0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1uwo h PHE 73 Cb 0.70 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 1uwo h PHE 73 CO 0.00 -0.22 0.43 1.98 -2.23 0.00 0.00 178.31 178.27 1uwo h MET 74 N -0.68 0.80 0.00 1.11 4.05 -1.57 0.78 114.93 119.41 1uwo h MET 74 Ca -0.04 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 1uwo h MET 74 Cb 0.29 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 30.91 1uwo h MET 74 CO 0.06 0.53 -0.13 0.00 0.23 0.00 0.00 176.91 177.60 1uwo h ALA 75 N 1.32 1.59 0.02 0.39 0.00 -1.54 0.11 119.26 121.15 1uwo h ALA 75 Ca 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1uwo h ALA 75 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1uwo h ALA 75 CO -0.13 0.16 -0.01 0.35 0.00 0.00 0.00 179.25 179.62 1uwo h PHE 76 N 0.00 -0.02 -0.08 0.00 3.57 0.20 -2.28 116.94 118.33 1uwo h PHE 76 Ca -0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1uwo h PHE 76 Cb 0.26 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1uwo h PHE 76 CO 0.00 -0.01 0.16 0.28 -2.23 0.00 0.00 178.31 176.51 1uwo h VAL 77 N -0.03 0.24 0.13 1.41 2.07 -1.45 -1.56 116.25 117.07 1uwo h VAL 77 Ca -0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1uwo h VAL 77 Cb 0.02 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1uwo h VAL 77 CO 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.43 1uwo h ALA 78 N 1.75 -0.30 0.21 1.67 0.00 -0.56 0.16 119.26 122.18 1uwo h ALA 78 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1uwo h ALA 78 Cb 0.37 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1uwo h ALA 78 CO -0.00 -0.69 -0.10 0.52 0.00 0.00 0.00 179.25 178.98 1uwo h MET 79 N -0.33 -0.27 -0.26 0.00 2.86 -0.73 -1.85 114.93 114.34 1uwo h MET 79 Ca 0.01 0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1uwo h MET 79 Cb 0.33 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1uwo h MET 79 CO -0.06 -0.18 0.66 0.28 1.06 0.00 0.00 176.91 178.67 1uwo h VAL 80 N -0.75 0.08 0.01 -2.22 2.07 -1.55 2.15 116.25 116.05 1uwo h VAL 80 Ca -0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1uwo h VAL 80 Cb 0.21 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1uwo h VAL 80 CO 0.05 0.00 -0.00 0.74 0.02 0.00 0.00 177.57 178.37 1uwo h THR 81 N 0.00 0.00 0.01 2.57 2.02 -0.61 -3.30 112.91 113.60 1uwo h THR 81 Ca 0.12 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1uwo h THR 81 Cb 1.45 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 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 -0.23 1.75 -1.35 3.16 1.03 -0.46 -3.05 112.91 113.76 1uwo h THR 82 Ca -0.00 -2.30 0.45 0.00 -0.01 0.00 0.00 66.41 64.54 1uwo h THR 82 Cb 0.01 3.31 -0.11 0.00 -1.07 0.00 0.00 68.15 70.29 1uwo h THR 82 CO 0.00 0.60 0.89 0.00 -0.01 0.00 0.00 175.52 177.01 1uwo n ALA 83 N -2.60 1.33 -0.00 0.00 0.00 0.72 0.11 120.51 120.06 1uwo n ALA 83 Ca -0.10 0.75 -0.19 0.00 0.00 0.00 0.00 53.44 53.89 1uwo n ALA 83 Cb 0.50 -0.97 -0.14 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.56 0.00 0.01 0.00 2.76 0.85 0.21 115.15 118.42 1uwo h HIS 85 Ca -0.17 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.00 1uwo h HIS 85 Cb 1.49 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.45 1uwo h HIS 85 CO 0.19 0.00 -0.01 1.49 -1.30 0.00 0.00 177.93 178.31 1uwo h GLU 86 N 0.00 -0.02 0.00 5.26 4.81 -1.44 -3.18 114.58 120.01 1uwo h GLU 86 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1uwo h GLU 86 Cb 1.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.28 1uwo h GLU 86 CO -0.00 0.76 0.00 0.35 -0.73 0.00 0.00 179.01 179.39 1uwo h PHE 87 N -0.84 0.00 -0.24 0.92 3.57 -0.73 -3.15 116.94 116.46 1uwo h PHE 87 Ca -0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1uwo h PHE 87 Cb 0.78 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.47 1uwo h PHE 87 CO 0.20 0.00 -0.38 0.35 -2.23 0.00 0.00 178.31 176.26 1uwo h PHE 88 N 0.00 -1.14 -2.88 0.41 3.57 -1.15 -3.41 116.94 112.34 1uwo h PHE 88 Ca 0.00 0.05 -0.45 0.00 3.53 0.00 0.00 57.97 61.10 1uwo h PHE 88 Cb 0.18 0.53 0.22 0.00 2.79 0.00 0.00 35.95 39.67 1uwo h PHE 88 CO 0.00 -0.34 -0.48 -0.85 -2.23 0.00 0.00 178.31 174.42 1uwo n GLU 89 N -4.50 -1.98 -1.41 1.11 0.28 -1.19 -4.73 120.64 108.22 1uwo n GLU 89 Ca -0.03 -0.55 0.19 0.00 -0.16 0.00 0.00 57.16 56.61 1uwo n GLU 89 Cb 0.23 -1.97 -0.05 0.00 1.43 0.00 0.00 31.44 31.09 1uwo n GLU 89 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1uwo n HIS 90 N -4.68 -3.57 -0.11 -1.84 8.25 -1.26 -5.07 115.22 106.94 1uwo n HIS 90 Ca 0.02 1.80 0.00 0.00 -0.26 0.00 0.00 57.72 59.28 1uwo n HIS 90 Cb 0.57 -3.24 0.00 0.00 1.12 0.00 0.00 29.99 28.44 1uwo n HIS 90 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07