#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 0.14 -1.46 4.07 -1.26 -1.98 120.64 120.16 1uwo n GLU 2 Ca 0.00 0.14 -0.01 0.00 -0.06 0.00 0.00 57.16 57.23 1uwo n GLU 2 Cb 0.00 -1.03 0.20 0.00 -0.06 0.00 0.00 31.44 30.55 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 0.02 0.45 4.31 4.07 -2.05 -2.67 115.31 119.44 1uwo h LEU 3 Ca 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1uwo h LEU 3 Cb 0.00 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1uwo h LEU 3 CO 0.00 0.59 -0.40 -0.33 -1.08 0.00 0.00 178.44 177.22 1uwo h GLU 4 N 0.01 -0.82 -0.87 1.13 5.08 -2.00 0.33 114.58 117.44 1uwo h GLU 4 Ca -0.01 0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1uwo h GLU 4 Cb 1.02 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1uwo h GLU 4 CO 0.08 -0.55 0.44 -0.22 -1.00 0.00 0.00 179.01 177.76 1uwo h LYS 5 N -0.85 1.23 0.00 2.33 3.64 -1.42 -0.46 116.57 121.04 1uwo h LYS 5 Ca -0.04 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1uwo h LYS 5 Cb 0.74 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1uwo h LYS 5 CO -0.03 0.93 0.00 0.00 -2.27 0.00 0.00 179.45 178.07 1uwo h ALA 6 N 1.24 1.00 0.12 5.00 0.00 -1.07 -2.39 119.26 123.16 1uwo h ALA 6 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.90 1uwo h ALA 6 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1uwo h ALA 6 CO -0.04 0.00 -1.56 1.98 0.00 0.00 0.00 179.25 179.63 1uwo h MET 7 N 0.00 0.26 -0.40 0.00 1.85 0.13 -2.03 114.93 114.74 1uwo h MET 7 Ca 0.00 -0.45 -0.10 0.00 -0.61 0.00 0.00 59.70 58.53 1uwo h MET 7 Cb 0.28 0.17 -0.01 0.00 0.43 0.00 0.00 31.60 32.46 1uwo h MET 7 CO 0.00 1.13 -0.16 0.28 -0.40 0.00 0.00 176.91 177.76 1uwo h VAL 8 N 0.07 1.28 0.13 -5.77 2.07 -0.94 -1.11 116.25 111.98 1uwo h VAL 8 Ca -0.25 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 1uwo h VAL 8 Cb 2.03 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1uwo h VAL 8 CO 0.16 0.43 -0.06 0.00 0.02 0.00 0.00 177.57 178.12 1uwo h ALA 9 N 0.82 -0.18 -0.66 1.67 0.00 -1.61 -2.59 119.26 116.71 1uwo h ALA 9 Ca 0.09 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.10 1uwo h ALA 9 Cb 0.70 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.45 1uwo h ALA 9 CO 0.05 -0.17 -0.06 -0.07 0.00 0.00 0.00 179.25 179.01 1uwo h LEU 10 N -1.05 -0.41 -0.28 0.00 3.38 -1.47 0.11 115.31 115.59 1uwo h LEU 10 Ca -0.02 0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1uwo h LEU 10 Cb 0.16 0.34 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1uwo h LEU 10 CO 0.03 -0.17 0.10 0.40 0.09 0.00 0.00 178.44 178.89 1uwo h ILE 11 N 0.07 0.93 0.00 1.22 1.08 -1.31 0.47 117.51 119.97 1uwo h ILE 11 Ca 0.34 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.73 1uwo h ILE 11 Cb 0.56 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 1uwo h ILE 11 CO -0.61 0.04 0.00 -0.78 -0.69 0.00 0.00 178.15 176.11 1uwo h ASP 12 N 0.23 0.00 0.99 1.72 3.58 -0.48 -1.25 116.42 121.21 1uwo h ASP 12 Ca 0.12 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.36 1uwo h ASP 12 Cb 0.09 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 1uwo h ASP 12 CO -0.12 0.00 -1.02 0.58 -2.88 0.00 0.00 179.24 175.80 1uwo h VAL 13 N 0.00 1.62 -0.07 2.25 2.07 0.13 -0.09 116.25 122.16 1uwo h VAL 13 Ca 0.00 -3.32 -0.11 0.00 0.82 0.00 0.00 66.70 64.09 1uwo h VAL 13 Cb 0.15 2.80 0.01 0.00 -1.52 0.00 0.00 31.29 32.72 1uwo h VAL 13 CO 0.00 0.92 -0.40 0.15 0.02 0.00 0.00 177.57 178.26 1uwo h PHE 14 N 0.00 0.54 0.00 1.57 3.57 -0.53 -0.63 116.94 121.45 1uwo h PHE 14 Ca -0.03 -0.24 -0.18 0.00 3.53 0.00 0.00 57.97 61.05 1uwo h PHE 14 Cb 1.76 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.40 1uwo h PHE 14 CO 0.00 1.00 -0.88 1.25 -2.23 0.00 0.00 178.31 177.45 1uwo h HIS 15 N -0.08 0.00 0.17 0.41 2.76 -1.59 -2.28 115.15 114.53 1uwo h HIS 15 Ca -0.03 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1uwo h HIS 15 Cb 1.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.02 1uwo h HIS 15 CO 0.13 0.88 -0.08 0.37 -1.30 0.00 0.00 177.93 177.93 1uwo h GLN 16 N 0.00 -0.21 -0.36 5.26 4.15 -1.04 -0.66 115.11 122.24 1uwo h GLN 16 Ca -0.01 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.48 1uwo h GLN 16 Cb 1.62 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 29.31 1uwo h GLN 16 CO 0.11 -0.14 0.08 1.88 -1.93 0.00 0.00 178.83 178.83 1uwo h TYR 17 N -0.84 0.14 0.00 3.99 -1.99 -1.26 0.11 116.97 117.12 1uwo h TYR 17 Ca -0.02 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1uwo h TYR 17 Cb 0.17 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.89 1uwo h TYR 17 CO 0.01 0.03 -0.00 1.03 -0.00 0.00 0.00 178.16 179.23 1uwo h SER 18 N 0.21 0.00 -0.30 3.88 0.87 -1.54 -1.80 113.55 114.87 1uwo h SER 18 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1uwo h SER 18 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1uwo h SER 18 CO -0.22 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.69 1uwo n GLY 19 N -0.25 1.87 0.08 5.77 0.00 0.36 -3.38 105.19 109.64 1uwo n GLY 19 Ca -0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 1uwo n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1uwo h ARG 20 N 2.00 0.00 -6.31 1.61 2.47 -1.05 -3.47 114.38 109.63 1uwo h ARG 20 Ca 0.00 0.00 -0.69 0.00 -1.26 0.00 0.00 59.98 58.03 1uwo h ARG 20 Cb 1.05 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 29.15 1uwo h ARG 20 CO 0.19 0.25 -0.76 -2.00 0.56 0.00 0.00 179.97 178.21 1uwo s GLU 21 N -2.19 2.52 7.34 0.04 2.12 -1.26 -4.95 118.70 122.32 1uwo s GLU 21 Ca -0.16 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 54.48 1uwo s GLU 21 Cb 0.02 -2.41 0.00 0.00 0.26 0.00 0.00 34.13 32.01 1uwo s GLU 21 CO 0.29 0.63 0.00 0.41 -0.54 0.00 0.00 175.26 176.04 1uwo n GLY 22 N 2.23 2.10 0.00 -1.50 0.00 -1.26 -4.62 105.19 102.14 1uwo n GLY 22 Ca -0.17 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 8.53 0.00 0.00 1.61 8.00 -1.26 -5.06 116.55 128.37 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 2.29 -0.39 0.00 0.00 177.20 179.10 1uwo n LYS 24 N -0.93 0.00 0.00 -1.24 2.85 -1.22 -4.00 118.16 113.63 1uwo n LYS 24 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1uwo n LYS 24 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1uwo n LYS 24 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1uwo n HIS 25 N 0.00 -0.26 -4.16 5.58 8.25 -1.26 -4.93 115.22 118.43 1uwo n HIS 25 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1uwo n HIS 25 Cb 0.00 0.05 -0.09 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.13 1.29 -0.11 -0.41 -2.85 -1.26 -4.68 119.74 110.59 1uwo s LYS 26 Ca 0.00 -1.57 -0.00 0.00 -1.00 0.00 0.00 55.97 53.40 1uwo s LYS 26 Cb 0.00 0.31 -0.02 0.00 -2.06 0.00 0.00 37.83 36.06 1uwo s LYS 26 CO 0.00 -0.45 -0.10 -0.51 0.10 0.00 0.00 175.35 174.40 1uwo s LEU 27 N -3.14 2.96 0.68 2.77 1.43 -1.24 -4.68 118.68 117.46 1uwo s LEU 27 Ca 0.36 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 53.18 1uwo s LEU 27 Cb 0.05 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.63 1uwo s LEU 27 CO 0.12 0.25 1.05 -0.54 0.23 0.00 0.00 176.35 177.46 1uwo s LYS 28 N -0.13 2.79 0.59 1.70 1.02 -1.26 -1.65 119.74 122.79 1uwo s LYS 28 Ca 0.00 0.29 0.31 0.00 0.02 0.00 0.00 55.97 56.59 1uwo s LYS 28 Cb -0.13 -2.09 1.25 0.00 -0.52 0.00 0.00 37.83 36.34 1uwo s LYS 28 CO 0.03 -1.00 1.58 1.57 -0.92 0.00 0.00 175.35 176.61 1uwo h LYS 29 N -0.56 0.00 0.16 1.68 2.10 -1.99 0.53 116.57 118.49 1uwo h LYS 29 Ca -0.45 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 57.94 1uwo h LYS 29 Cb 1.26 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.61 1uwo h LYS 29 CO 0.63 0.00 -1.23 0.66 -2.00 0.00 0.00 179.45 177.51 1uwo h SER 30 N 0.00 0.53 -0.76 7.07 4.64 -1.99 -2.81 113.55 120.23 1uwo h SER 30 Ca 0.45 -0.91 0.06 0.00 -0.47 0.00 0.00 61.79 60.92 1uwo h SER 30 Cb 2.36 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 64.22 1uwo h SER 30 CO -0.00 1.57 0.45 -0.33 -0.87 0.00 0.00 176.83 177.64 1uwo h GLU 31 N -0.20 0.79 0.64 4.77 4.39 -0.28 -2.13 114.58 122.57 1uwo h GLU 31 Ca -0.24 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.38 1uwo h GLU 31 Cb 1.83 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 30.31 1uwo h GLU 31 CO 0.15 0.53 -0.31 -0.07 -1.16 0.00 0.00 179.01 178.15 1uwo h LEU 32 N 0.82 -0.73 -1.70 1.33 3.38 -1.44 -2.26 115.31 114.71 1uwo h LEU 32 Ca 0.34 0.03 0.47 0.00 0.09 0.00 0.00 57.88 58.81 1uwo h LEU 32 Cb 0.19 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 1uwo h LEU 32 CO -0.18 -0.47 1.33 0.50 0.09 0.00 0.00 178.44 179.70 1uwo h LYS 33 N -0.96 0.00 0.39 1.13 3.64 -1.25 0.34 116.57 119.85 1uwo h LYS 33 Ca -0.09 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1uwo h LYS 33 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1uwo h LYS 33 CO 0.14 0.00 -0.19 0.93 -2.27 0.00 0.00 179.45 178.07 1uwo h GLU 34 N 0.00 -0.50 -1.00 1.90 3.07 -0.80 0.42 114.58 117.67 1uwo h GLU 34 Ca 0.78 0.03 0.18 0.00 -0.50 0.00 0.00 59.36 59.85 1uwo h GLU 34 Cb 3.43 0.11 -0.10 0.00 -0.84 0.00 0.00 28.75 31.35 1uwo h GLU 34 CO -0.01 -0.24 0.62 -0.07 -1.40 0.00 0.00 179.01 177.90 1uwo h LEU 35 N -1.07 0.78 -0.60 1.33 3.38 -0.06 0.54 115.31 119.63 1uwo h LEU 35 Ca -0.05 0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1uwo h LEU 35 Cb 0.49 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1uwo h LEU 35 CO 0.09 0.31 -0.65 0.40 0.09 0.00 0.00 178.44 178.67 1uwo h ILE 36 N 0.78 1.39 -0.01 1.22 2.04 -1.33 -1.95 117.51 119.65 1uwo h ILE 36 Ca 0.56 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 64.12 1uwo h ILE 36 Cb 0.85 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 1uwo h ILE 36 CO -0.35 0.64 -0.14 0.59 0.00 0.00 0.00 178.15 178.90 1uwo n ASN 37 N -3.64 1.04 -0.12 1.72 5.03 0.88 -1.05 115.26 119.12 1uwo n ASN 37 Ca -0.01 -1.04 -0.22 0.00 0.87 0.00 0.00 54.58 54.19 1uwo n ASN 37 Cb 0.67 0.05 -0.10 0.00 -1.02 0.00 0.00 39.78 39.39 1uwo n ASN 37 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1uwo n ASN 38 N -0.45 1.93 -0.01 6.41 5.15 0.15 -4.62 115.26 123.83 1uwo n ASN 38 Ca 0.15 0.13 0.08 0.00 -0.60 0.00 0.00 54.58 54.33 1uwo n ASN 38 Cb 0.33 -0.58 -0.11 0.00 -0.53 0.00 0.00 39.78 38.89 1uwo n ASN 38 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1uwo n GLU 39 N -3.72 0.74 -3.43 1.20 0.00 -0.75 -4.68 120.64 110.00 1uwo n GLU 39 Ca -0.45 -0.12 -0.31 0.00 0.00 0.00 0.00 57.16 56.28 1uwo n GLU 39 Cb 0.88 -1.33 -0.07 0.00 0.00 0.00 0.00 31.44 30.92 1uwo n GLU 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1uwo n LEU 40 N -1.91 4.24 -0.02 4.31 4.32 -0.21 -4.72 117.00 123.01 1uwo n LEU 40 Ca -0.02 -5.34 0.01 0.00 -0.02 0.00 0.00 56.01 50.64 1uwo n LEU 40 Cb 0.37 -0.85 -0.01 0.00 -1.62 0.00 0.00 43.42 41.31 1uwo n LEU 40 CO 0.32 1.89 0.06 -0.24 -1.22 0.00 0.00 177.39 178.20 1uwo n SER 41 N 1.24 0.32 0.00 -1.43 2.88 -1.24 -4.11 113.62 111.29 1uwo n SER 41 Ca 0.27 -0.66 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 1uwo n SER 41 Cb 0.38 0.78 0.00 0.00 -0.75 0.00 0.00 64.21 64.62 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 -0.79 0.00 0.14 0.66 8.25 -1.26 -0.94 115.22 121.28 1uwo n HIS 42 Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 1uwo n HIS 42 Cb 0.03 0.00 0.24 0.00 1.12 0.00 0.00 29.99 31.38 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 0.00 0.10 0.00 4.41 -1.00 -1.97 -2.82 116.94 115.66 1uwo h PHE 43 Ca 0.00 -0.03 -0.17 0.00 2.81 0.00 0.00 57.97 60.57 1uwo h PHE 43 Cb 0.00 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1uwo h PHE 43 CO 0.00 0.56 -0.83 -0.07 -1.61 0.00 0.00 178.31 176.36 1uwo h LEU 44 N 0.07 0.00 -3.74 1.54 4.07 -1.75 -3.48 115.31 112.01 1uwo h LEU 44 Ca 0.00 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.48 1uwo h LEU 44 Cb 0.89 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.64 1uwo h LEU 44 CO 0.07 0.83 -1.13 -1.84 -1.08 0.00 0.00 178.44 175.29 1uwo n GLU 45 N -3.51 -1.60 -4.22 1.13 0.28 -0.11 0.10 120.64 112.70 1uwo n GLU 45 Ca -0.00 0.84 -0.32 0.00 -0.16 0.00 0.00 57.16 57.51 1uwo n GLU 45 Cb 0.80 -2.21 -0.06 0.00 1.43 0.00 0.00 31.44 31.41 1uwo n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1uwo n GLU 46 N -2.31 -2.16 0.00 3.44 2.13 -1.26 -4.46 120.64 116.02 1uwo n GLU 46 Ca -0.30 0.26 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1uwo n GLU 46 Cb 0.70 -4.40 0.00 0.00 0.27 0.00 0.00 31.44 28.01 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 -4.40 0.00 0.00 6.31 2.08 0.11 -4.91 119.36 118.55 1uwo n ILE 47 Ca -0.16 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.15 1uwo n ILE 47 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.50 1uwo n ILE 47 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1uwo n LYS 48 N 2.94 0.00 -0.41 0.38 2.85 -1.26 -4.94 118.16 117.71 1uwo n LYS 48 Ca 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.30 1uwo n LYS 48 Cb 0.00 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.44 1uwo n LYS 48 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1uwo n GLU 49 N 0.00 0.56 -2.78 -1.58 0.28 -1.26 -5.00 120.64 110.85 1uwo n GLU 49 Ca 0.00 -1.78 -0.11 0.00 -0.16 0.00 0.00 57.16 55.11 1uwo n GLU 49 Cb 0.00 -0.90 0.05 0.00 1.43 0.00 0.00 31.44 32.02 1uwo n GLU 49 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1uwo n GLN 50 N -0.56 -1.75 0.00 3.44 3.00 -1.26 -4.98 117.38 115.27 1uwo n GLN 50 Ca 0.07 0.63 0.00 0.00 -0.01 0.00 0.00 57.00 57.69 1uwo n GLN 50 Cb 0.71 -4.66 0.00 0.00 0.00 0.00 0.00 30.24 26.29 1uwo n GLN 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1uwo n GLU 51 N -2.78 0.00 0.13 -1.09 -0.58 -1.26 -3.73 120.64 111.33 1uwo n GLU 51 Ca -0.06 0.25 0.09 0.00 -0.42 0.00 0.00 57.16 57.03 1uwo n GLU 51 Cb 0.59 -0.74 0.04 0.00 -0.57 0.00 0.00 31.44 30.76 1uwo n GLU 51 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1uwo h VAL 52 N 0.00 0.13 0.00 2.62 2.07 -1.98 -2.50 116.25 116.60 1uwo h VAL 52 Ca 0.00 -1.23 -0.15 0.00 0.82 0.00 0.00 66.70 66.15 1uwo h VAL 52 Cb 0.00 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1uwo h VAL 52 CO 0.00 0.08 -0.70 0.58 0.02 0.00 0.00 177.57 177.55 1uwo h VAL 53 N 0.00 1.34 0.06 2.57 2.07 -1.98 -1.34 116.25 118.97 1uwo h VAL 53 Ca -0.02 -2.52 -0.33 0.00 0.82 0.00 0.00 66.70 64.65 1uwo h VAL 53 Cb 1.10 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 33.26 1uwo h VAL 53 CO 0.01 0.68 -1.85 -0.67 0.02 0.00 0.00 177.57 175.77 1uwo n ASP 54 N -3.48 1.49 -0.01 0.57 2.03 -1.24 -3.46 116.55 112.45 1uwo n ASP 54 Ca 0.00 0.32 -0.18 0.00 0.52 0.00 0.00 54.79 55.45 1uwo n ASP 54 Cb 0.74 -0.46 -0.08 0.00 -0.72 0.00 0.00 41.12 40.60 1uwo n ASP 54 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1uwo h LYS 55 N 0.04 0.72 -0.05 -0.67 1.79 -1.50 -3.28 116.57 113.62 1uwo h LYS 55 Ca -0.35 -0.63 -0.00 0.00 -2.18 0.00 0.00 60.65 57.49 1uwo h LYS 55 Cb 2.03 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 32.82 1uwo h LYS 55 CO 0.09 1.23 0.02 -0.39 -1.08 0.00 0.00 179.45 179.32 1uwo h VAL 56 N 0.41 1.11 -1.07 0.50 -1.51 -1.41 -1.71 116.25 112.58 1uwo h VAL 56 Ca -0.07 -0.34 0.31 0.00 -1.23 0.00 0.00 66.70 65.38 1uwo h VAL 56 Cb 1.42 1.26 -0.04 0.00 -2.13 0.00 0.00 31.29 31.80 1uwo h VAL 56 CO 0.16 0.09 1.14 -0.03 -1.23 0.00 0.00 177.57 177.70 1uwo h MET 57 N -0.06 0.00 0.00 5.19 1.85 -1.62 0.57 114.93 120.86 1uwo h MET 57 Ca 0.02 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.11 1uwo h MET 57 Cb 0.13 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.16 1uwo h MET 57 CO -0.00 0.00 -0.00 1.49 -0.40 0.00 0.00 176.91 178.00 1uwo h GLU 58 N 0.00 -0.00 0.03 0.39 4.22 -1.42 -3.21 114.58 114.59 1uwo h GLU 58 Ca 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.95 1uwo h GLU 58 Cb 2.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.03 1uwo h GLU 58 CO -0.01 0.89 -0.02 0.00 -2.18 0.00 0.00 179.01 177.70 1uwo h THR 59 N -0.99 1.22 -0.97 0.32 1.03 -0.04 -3.32 112.91 110.16 1uwo h THR 59 Ca -0.00 -1.74 0.17 0.00 -0.01 0.00 0.00 66.41 64.83 1uwo h THR 59 Cb 0.89 2.22 -0.17 0.00 -1.07 0.00 0.00 68.15 70.03 1uwo h THR 59 CO 0.00 0.38 -0.33 -0.07 -0.01 0.00 0.00 175.52 175.49 1uwo h LEU 60 N -0.93 -1.23 -8.95 0.00 3.38 -0.37 -3.32 115.31 103.88 1uwo h LEU 60 Ca -0.00 0.30 -0.57 0.00 0.09 0.00 0.00 57.88 57.70 1uwo h LEU 60 Cb 0.66 0.69 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 1uwo h LEU 60 CO 0.01 -0.30 1.10 -0.62 0.09 0.00 0.00 178.44 178.72 1uwo s ASP 61 N -5.31 6.37 -0.27 -0.43 2.15 -1.21 -4.28 116.67 113.69 1uwo s ASP 61 Ca -0.14 1.32 0.11 0.00 0.43 0.00 0.00 52.55 54.27 1uwo s ASP 61 Cb 0.22 -2.53 0.55 0.00 -0.30 0.00 0.00 42.92 40.85 1uwo s ASP 61 CO 0.73 -1.31 1.51 0.59 -0.17 0.00 0.00 175.17 176.52 1uwo n ASN 62 N 8.58 3.27 0.00 -0.34 4.13 -1.25 -4.54 115.26 125.11 1uwo n ASN 62 Ca 0.18 -3.44 0.00 0.00 1.68 0.00 0.00 54.58 52.99 1uwo n ASN 62 Cb 0.46 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.07 1uwo n ASN 62 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1uwo n ASP 63 N -0.83 1.72 -0.64 6.41 2.03 -1.26 -5.10 116.55 118.87 1uwo n ASP 63 Ca 0.32 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.63 1uwo n ASP 63 Cb 1.06 0.06 0.00 0.00 -0.72 0.00 0.00 41.12 41.52 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 2.06 0.25 0.64 0.27 0.00 -1.26 -5.04 105.19 102.10 1uwo n GLY 64 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.34 -0.13 -3.60 1.61 9.92 -1.26 -5.01 116.55 117.73 1uwo n ASP 65 Ca 0.00 -0.32 -0.25 0.00 -0.53 0.00 0.00 54.79 53.69 1uwo n ASP 65 Cb 0.13 0.04 0.03 0.00 -0.64 0.00 0.00 41.12 40.68 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 -0.01 -1.10 3.19 0.44 0.00 -1.26 -4.98 105.19 101.46 1uwo n GLY 66 Ca -0.04 0.49 0.04 0.00 0.00 0.00 0.00 46.02 46.51 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 -5.27 0.49 0.96 1.61 -1.05 -1.26 -4.63 118.70 109.55 1uwo s GLU 67 Ca 0.30 0.89 -0.12 0.00 -0.15 0.00 0.00 54.97 55.89 1uwo s GLU 67 Cb -0.11 0.50 0.17 0.00 -0.44 0.00 0.00 34.13 34.25 1uwo s GLU 67 CO 0.85 -0.50 1.09 0.00 0.95 0.00 0.00 175.26 177.66 1uwo s ASP 69 N -3.42 2.67 0.04 0.00 1.11 -1.26 -3.68 116.67 112.13 1uwo s ASP 69 Ca 0.65 -1.45 -0.28 0.00 0.18 0.00 0.00 52.55 51.64 1uwo s ASP 69 Cb -0.18 0.05 -0.16 0.00 1.07 0.00 0.00 42.92 43.70 1uwo s ASP 69 CO 0.57 -0.68 1.36 0.15 1.18 0.00 0.00 175.17 177.76 1uwo h PHE 70 N 1.98 -0.94 -0.84 4.23 3.04 -1.96 -0.36 116.94 122.08 1uwo h PHE 70 Ca -0.40 -0.02 0.24 0.00 3.98 0.00 0.00 57.97 61.77 1uwo h PHE 70 Cb 1.25 0.31 -0.03 0.00 2.56 0.00 0.00 35.95 40.04 1uwo h PHE 70 CO 0.83 -0.59 0.78 -0.56 -2.02 0.00 0.00 178.31 176.76 1uwo h GLN 71 N -1.06 0.00 -0.05 1.11 3.07 -1.97 0.58 115.11 116.79 1uwo h GLN 71 Ca -0.10 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.46 1uwo h GLN 71 Cb 0.78 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.35 1uwo h GLN 71 CO 0.17 0.00 -0.67 1.49 0.09 0.00 0.00 178.83 179.91 1uwo h GLU 72 N 0.00 0.54 -0.52 0.06 4.22 -1.63 -2.80 114.58 114.45 1uwo h GLU 72 Ca 0.40 -0.52 0.08 0.00 0.08 0.00 0.00 59.36 59.41 1uwo h GLU 72 Cb 1.96 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 31.27 1uwo h GLU 72 CO -0.00 1.15 0.15 0.35 -2.18 0.00 0.00 179.01 178.47 1uwo h PHE 73 N 0.13 0.25 0.38 0.92 3.57 0.19 0.75 116.94 123.12 1uwo h PHE 73 Ca -0.07 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1uwo h PHE 73 Cb 1.34 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.05 1uwo h PHE 73 CO 0.12 0.04 -0.18 1.98 -2.23 0.00 0.00 178.31 178.04 1uwo h MET 74 N 0.30 -0.50 0.00 1.11 4.05 -1.56 -1.83 114.93 116.51 1uwo h MET 74 Ca 0.26 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 1uwo h MET 74 Cb 0.33 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 1uwo h MET 74 CO -0.30 -0.23 0.00 0.00 0.23 0.00 0.00 176.91 176.61 1uwo n ALA 75 N -2.43 1.30 0.07 0.39 0.00 -0.97 -2.09 120.51 116.78 1uwo n ALA 75 Ca -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 1uwo n ALA 75 Cb 0.26 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 1uwo n ALA 75 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1uwo h PHE 76 N 0.00 -0.21 -0.07 0.00 3.57 0.14 -2.41 116.94 117.95 1uwo h PHE 76 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1uwo h PHE 76 Cb 0.12 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 1uwo h PHE 76 CO 0.00 -0.13 0.10 0.28 -2.23 0.00 0.00 178.31 176.33 1uwo h VAL 77 N -0.66 0.35 -0.54 1.41 2.07 -1.36 0.29 116.25 117.80 1uwo h VAL 77 Ca -0.02 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 1uwo h VAL 77 Cb 0.18 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1uwo h VAL 77 CO 0.04 0.00 -0.05 0.00 0.02 0.00 0.00 177.57 177.58 1uwo h ALA 78 N 1.85 0.74 -0.28 1.67 0.00 -1.40 -1.49 119.26 120.35 1uwo h ALA 78 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1uwo h ALA 78 Cb 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1uwo h ALA 78 CO -0.00 0.60 0.00 -1.33 0.00 0.00 0.00 179.25 178.52 1uwo n MET 79 N -4.22 0.00 -0.07 0.00 2.81 0.04 -1.55 117.12 114.13 1uwo n MET 79 Ca 0.02 0.45 0.23 0.00 -1.81 0.00 0.00 57.70 56.59 1uwo n MET 79 Cb 0.36 -1.01 0.50 0.00 -0.71 0.00 0.00 33.22 32.37 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 0.01 2.03 -1.51 -1.55 2.86 116.25 118.17 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 -0.00 0.74 -1.23 0.00 0.00 177.57 177.08 1uwo h THR 81 N 0.00 0.00 0.03 7.19 2.02 -1.32 -3.25 112.91 117.59 1uwo h THR 81 Ca 0.35 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1uwo h THR 81 Cb 2.27 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1uwo h THR 81 CO -0.00 0.00 -0.02 0.74 0.37 0.00 0.00 175.52 176.61 1uwo h THR 82 N -0.33 1.06 -0.84 3.16 2.02 -0.12 -3.10 112.91 114.76 1uwo h THR 82 Ca -0.00 -1.68 0.27 0.00 0.77 0.00 0.00 66.41 65.78 1uwo h THR 82 Cb 0.01 1.96 -0.16 0.00 -1.74 0.00 0.00 68.15 68.22 1uwo h THR 82 CO 0.00 0.34 0.17 0.00 0.37 0.00 0.00 175.52 176.40 1uwo n ALA 83 N -2.65 0.58 -0.04 6.16 0.00 0.94 0.12 120.51 125.63 1uwo n ALA 83 Ca -0.06 0.89 -0.13 0.00 0.00 0.00 0.00 53.44 54.14 1uwo n ALA 83 Cb 0.29 -0.73 -0.08 0.00 0.00 0.00 0.00 19.45 18.93 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 -4.67 0.33 -0.01 0.00 8.25 0.33 -1.51 115.22 117.94 1uwo n HIS 85 Ca -0.06 0.16 -0.11 0.00 -0.26 0.00 0.00 57.72 57.44 1uwo n HIS 85 Cb 0.30 -0.75 -0.14 0.00 1.12 0.00 0.00 29.99 30.52 1uwo n HIS 85 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1uwo n GLU 86 N -1.83 0.66 0.19 -0.41 2.13 0.33 -3.93 120.64 117.78 1uwo n GLU 86 Ca 0.01 0.30 0.05 0.00 0.66 0.00 0.00 57.16 58.17 1uwo n GLU 86 Cb 0.07 -1.78 0.37 0.00 0.27 0.00 0.00 31.44 30.37 1uwo n GLU 86 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1uwo h PHE 87 N 0.01 0.00 -0.17 4.31 3.04 -0.85 -3.27 116.94 120.00 1uwo h PHE 87 Ca -0.31 0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.66 1uwo h PHE 87 Cb 2.02 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 40.50 1uwo h PHE 87 CO 0.01 0.38 -0.17 0.35 -2.02 0.00 0.00 178.31 176.86 1uwo h PHE 88 N 0.00 -0.53 -0.29 0.41 3.04 -1.65 -3.45 116.94 114.46 1uwo h PHE 88 Ca -0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1uwo h PHE 88 Cb 0.77 0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.54 1uwo h PHE 88 CO 0.00 -0.14 0.00 0.39 -2.02 0.00 0.00 178.31 176.54 1uwo n GLU 89 N -3.56 0.00 -2.15 1.11 4.71 -1.24 -3.46 120.64 116.05 1uwo n GLU 89 Ca -0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.79 1uwo n GLU 89 Cb 0.10 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 30.55 1uwo n GLU 89 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1uwo n HIS 90 N -0.14 3.13 -0.22 -0.32 8.25 -1.26 -5.17 115.22 119.50 1uwo n HIS 90 Ca 0.00 -2.62 0.00 0.00 -0.26 0.00 0.00 57.72 54.84 1uwo n HIS 90 Cb 0.00 -0.83 0.00 0.00 1.12 0.00 0.00 29.99 30.28 1uwo n HIS 90 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07