#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 0.09 -1.46 0.00 -1.26 -1.09 120.64 116.91 1uwo n GLU 2 Ca 0.00 0.56 -0.11 0.00 0.00 0.00 0.00 57.16 57.61 1uwo n GLU 2 Cb 0.00 -1.47 -0.09 0.00 0.00 0.00 0.00 31.44 29.89 1uwo n GLU 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1uwo h LEU 3 N 0.00 0.28 0.79 -1.84 3.38 -2.04 -2.50 115.31 113.38 1uwo h LEU 3 Ca 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1uwo h LEU 3 Cb 0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1uwo h LEU 3 CO 0.00 1.15 -0.50 -0.08 0.09 0.00 0.00 178.44 179.10 1uwo h GLU 4 N 0.08 -1.17 0.31 1.13 4.81 -1.99 0.78 114.58 118.53 1uwo h GLU 4 Ca -0.07 0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1uwo h GLU 4 Cb 1.75 0.27 0.00 0.00 0.63 0.00 0.00 28.75 31.40 1uwo h GLU 4 CO 0.16 -0.78 -0.15 -0.22 -0.73 0.00 0.00 179.01 177.29 1uwo h LYS 5 N -1.21 -0.40 0.00 1.92 3.64 -1.23 -1.06 116.57 118.22 1uwo h LYS 5 Ca -0.11 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1uwo h LYS 5 Cb 0.98 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1uwo h LYS 5 CO 0.10 -0.23 0.00 0.00 -2.27 0.00 0.00 179.45 177.05 1uwo n ALA 6 N -2.30 1.10 -0.05 5.00 0.00 -0.94 -2.36 120.51 120.96 1uwo n ALA 6 Ca -0.10 0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 1uwo n ALA 6 Cb 0.20 -1.21 -0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.00 -0.39 0.00 1.85 0.19 -1.89 114.93 114.68 1uwo h MET 7 Ca 0.00 0.00 0.11 0.00 -0.61 0.00 0.00 59.70 59.20 1uwo h MET 7 Cb 0.04 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.05 1uwo h MET 7 CO 0.00 0.00 0.34 0.28 -0.40 0.00 0.00 176.91 177.13 1uwo h VAL 8 N -0.96 0.59 0.06 -5.77 2.07 -1.24 -1.73 116.25 109.28 1uwo h VAL 8 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1uwo h VAL 8 Cb 0.01 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1uwo h VAL 8 CO 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.56 1uwo h ALA 9 N 1.70 -0.13 -0.78 1.67 0.00 -1.55 -2.22 119.26 117.95 1uwo h ALA 9 Ca 0.19 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.21 1uwo h ALA 9 Cb 0.86 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.54 1uwo h ALA 9 CO -0.00 -0.13 -0.33 1.25 0.00 0.00 0.00 179.25 180.04 1uwo h LEU 10 N -0.59 -1.19 -0.44 0.00 5.85 -1.11 0.28 115.31 118.11 1uwo h LEU 10 Ca -0.01 0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1uwo h LEU 10 Cb 0.07 0.63 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1uwo h LEU 10 CO 0.01 -0.29 0.27 0.40 -0.34 0.00 0.00 178.44 178.49 1uwo h ILE 11 N -0.08 1.06 -0.15 4.05 5.03 -1.46 0.09 117.51 126.06 1uwo h ILE 11 Ca 0.30 -0.19 0.04 0.00 -0.12 0.00 0.00 64.86 64.90 1uwo h ILE 11 Cb 0.58 0.47 -0.01 0.00 -3.03 0.00 0.00 36.82 34.84 1uwo h ILE 11 CO -0.82 0.10 0.25 0.44 -0.68 0.00 0.00 178.15 177.43 1uwo h ASP 12 N 0.54 0.00 0.70 1.72 5.19 0.14 0.18 116.42 124.90 1uwo h ASP 12 Ca 0.17 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.38 1uwo h ASP 12 Cb -0.01 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.46 1uwo h ASP 12 CO -0.07 0.00 -1.42 0.58 -3.12 0.00 0.00 179.24 175.21 1uwo h VAL 13 N 0.00 0.66 -0.54 -1.35 2.07 0.45 -2.44 116.25 115.10 1uwo h VAL 13 Ca 0.07 -2.26 -0.05 0.00 0.82 0.00 0.00 66.70 65.28 1uwo h VAL 13 Cb 0.56 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1uwo h VAL 13 CO -0.00 0.38 0.13 0.15 0.02 0.00 0.00 177.57 178.24 1uwo h PHE 14 N 0.00 0.92 0.13 1.57 3.57 0.51 -1.43 116.94 122.21 1uwo h PHE 14 Ca -0.18 -0.11 -0.22 0.00 3.53 0.00 0.00 57.97 60.99 1uwo h PHE 14 Cb 1.70 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 40.19 1uwo h PHE 14 CO 0.00 0.80 -1.04 0.45 -2.23 0.00 0.00 178.31 176.29 1uwo h HIS 15 N 0.77 0.50 0.26 0.41 3.86 -1.61 -2.37 115.15 116.96 1uwo h HIS 15 Ca 0.17 -0.36 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1uwo h HIS 15 Cb 0.35 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.76 1uwo h HIS 15 CO 0.02 1.40 -0.50 0.37 0.86 0.00 0.00 177.93 180.08 1uwo h GLN 16 N -0.36 -0.80 -0.38 2.45 4.15 -1.44 1.36 115.11 120.09 1uwo h GLN 16 Ca -0.21 0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 1uwo h GLN 16 Cb 1.68 0.18 -0.02 0.00 0.21 0.00 0.00 27.48 29.53 1uwo h GLN 16 CO 0.11 -0.53 0.20 1.88 -1.93 0.00 0.00 178.83 178.56 1uwo h TYR 17 N -0.83 0.53 0.00 3.99 -1.99 -1.41 -0.90 116.97 116.35 1uwo h TYR 17 Ca -0.02 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1uwo h TYR 17 Cb 0.79 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.35 1uwo h TYR 17 CO -0.37 0.42 0.00 0.43 -0.00 0.00 0.00 178.16 178.64 1uwo n SER 18 N -4.74 0.00 0.00 3.88 7.64 -0.89 -2.57 113.62 116.94 1uwo n SER 18 Ca -0.00 -0.27 0.11 0.00 1.01 0.00 0.00 58.87 59.71 1uwo n SER 18 Cb 0.09 -0.15 0.49 0.00 -1.01 0.00 0.00 64.21 63.62 1uwo n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uwo n GLY 19 N 0.26 -1.21 0.11 0.23 0.00 0.46 -2.97 105.19 102.07 1uwo n GLY 19 Ca 0.11 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.16 -7.19 1.61 3.08 -1.63 -3.46 114.38 106.95 1uwo h ARG 20 Ca 0.00 -0.27 -0.51 0.00 0.07 0.00 0.00 59.98 59.28 1uwo h ARG 20 Cb 0.35 0.10 0.10 0.00 0.08 0.00 0.00 29.97 30.59 1uwo h ARG 20 CO 0.00 0.92 0.38 -2.00 -1.07 0.00 0.00 179.97 178.20 1uwo s GLU 21 N -2.60 2.89 0.59 0.04 2.12 -1.16 -4.82 118.70 115.76 1uwo s GLU 21 Ca -0.11 1.41 0.34 0.00 0.36 0.00 0.00 54.97 56.97 1uwo s GLU 21 Cb 0.07 -1.96 1.29 0.00 0.26 0.00 0.00 34.13 33.79 1uwo s GLU 21 CO 0.82 -1.18 1.54 0.78 -0.54 0.00 0.00 175.26 176.68 1uwo h GLY 22 N 0.19 0.00 -5.31 -1.50 0.00 -1.90 -3.35 103.07 91.20 1uwo h GLY 22 Ca -0.47 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.19 1uwo h GLY 22 CO 0.55 0.00 -0.73 -0.35 0.00 0.00 0.00 176.54 176.00 1uwo s ASP 23 N -4.10 4.31 -1.23 0.19 2.15 -1.26 -5.03 116.67 111.70 1uwo s ASP 23 Ca -0.04 -0.17 -0.08 0.00 0.43 0.00 0.00 52.55 52.68 1uwo s ASP 23 Cb 0.18 -1.29 0.20 0.00 -0.30 0.00 0.00 42.92 41.71 1uwo s ASP 23 CO 0.62 0.27 1.75 2.29 -0.17 0.00 0.00 175.17 179.93 1uwo n LYS 24 N 2.81 3.80 0.00 4.34 2.85 -1.23 -4.07 118.16 126.67 1uwo n LYS 24 Ca -0.18 -3.79 0.00 0.00 -1.05 0.00 0.00 58.31 53.29 1uwo n LYS 24 Cb 0.53 -2.83 0.00 0.00 -0.65 0.00 0.00 35.03 32.07 1uwo n LYS 24 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1uwo n HIS 25 N 3.38 0.00 -4.37 5.58 -0.00 -1.23 -4.81 115.22 113.77 1uwo n HIS 25 Ca 0.36 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 58.26 1uwo n HIS 25 Cb 0.36 0.00 -0.12 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 -0.73 1.56 0.54 1.57 3.01 -1.26 -4.67 119.74 119.76 1uwo s LYS 26 Ca 0.00 -1.34 -0.03 0.00 -1.01 0.00 0.00 55.97 53.60 1uwo s LYS 26 Cb 0.00 -1.96 0.01 0.00 -1.01 0.00 0.00 37.83 34.88 1uwo s LYS 26 CO 0.00 0.45 0.81 -0.51 0.51 0.00 0.00 175.35 176.61 1uwo s LEU 27 N -2.24 3.35 -0.61 3.17 1.02 -1.25 -4.59 118.68 117.53 1uwo s LEU 27 Ca 0.17 0.43 0.06 0.00 0.02 0.00 0.00 54.13 54.81 1uwo s LEU 27 Cb -0.10 -3.26 0.25 0.00 0.02 0.00 0.00 46.19 43.10 1uwo s LEU 27 CO 0.08 -0.99 0.72 2.29 0.02 0.00 0.00 176.35 178.47 1uwo n LYS 28 N -2.40 2.32 0.00 1.70 2.85 -1.24 -2.14 118.16 119.25 1uwo n LYS 28 Ca 0.04 -4.50 0.00 0.00 -1.05 0.00 0.00 58.31 52.80 1uwo n LYS 28 Cb 0.58 -2.13 0.00 0.00 -0.65 0.00 0.00 35.03 32.83 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 0.90 0.00 -0.32 -1.58 4.81 -1.21 -3.69 118.16 117.08 1uwo n LYS 29 Ca 0.29 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.90 1uwo n LYS 29 Cb 0.42 0.00 0.36 0.00 0.02 0.00 0.00 35.03 35.84 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 0.30 -0.80 3.14 0.87 -1.95 0.46 113.55 115.57 1uwo h SER 30 Ca 0.00 0.18 0.07 0.00 -1.23 0.00 0.00 61.79 60.81 1uwo h SER 30 Cb 0.00 0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.07 1uwo h SER 30 CO 0.00 -0.09 0.48 -0.33 -0.53 0.00 0.00 176.83 176.36 1uwo h GLU 31 N 0.32 0.84 0.45 2.24 4.39 -1.93 -2.20 114.58 118.70 1uwo h GLU 31 Ca 0.62 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.25 1uwo h GLU 31 Cb 1.29 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1uwo h GLU 31 CO -0.59 0.56 -0.22 -0.07 -1.16 0.00 0.00 179.01 177.53 1uwo h LEU 32 N 0.87 -0.51 -1.93 1.33 3.38 -0.40 -1.97 115.31 116.07 1uwo h LEU 32 Ca 0.36 0.02 0.54 0.00 0.09 0.00 0.00 57.88 58.88 1uwo h LEU 32 Cb 0.20 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 1uwo h LEU 32 CO -0.19 -0.37 1.37 0.50 0.09 0.00 0.00 178.44 179.84 1uwo h LYS 33 N -0.61 0.00 0.54 1.13 3.64 -1.27 0.36 116.57 120.37 1uwo h LYS 33 Ca -0.06 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1uwo h LYS 33 Cb 0.47 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1uwo h LYS 33 CO 0.10 0.00 -0.26 0.93 -2.27 0.00 0.00 179.45 177.95 1uwo h GLU 34 N 0.00 -0.70 -0.75 1.90 3.07 -0.72 -1.57 114.58 115.81 1uwo h GLU 34 Ca 0.88 0.05 0.22 0.00 -0.50 0.00 0.00 59.36 60.00 1uwo h GLU 34 Cb 3.60 0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 31.64 1uwo h GLU 34 CO -0.01 -0.40 0.57 -0.07 -1.40 0.00 0.00 179.01 177.70 1uwo h LEU 35 N -1.07 0.00 -0.09 1.33 4.07 0.06 0.38 115.31 119.98 1uwo h LEU 35 Ca -0.07 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.64 1uwo h LEU 35 Cb 0.63 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.38 1uwo h LEU 35 CO 0.12 0.00 -0.89 0.40 -1.08 0.00 0.00 178.44 176.99 1uwo h ILE 36 N 0.00 1.27 -0.24 1.22 5.03 -1.16 -1.62 117.51 122.01 1uwo h ILE 36 Ca 0.35 -2.08 0.00 0.00 -0.12 0.00 0.00 64.86 63.01 1uwo h ILE 36 Cb 1.50 2.14 0.00 0.00 -3.03 0.00 0.00 36.82 37.43 1uwo h ILE 36 CO -0.00 0.65 0.00 0.59 -0.68 0.00 0.00 178.15 178.71 1uwo n ASN 37 N -3.90 1.84 -0.06 1.72 3.02 0.62 -1.35 115.26 117.14 1uwo n ASN 37 Ca -0.09 -1.81 -0.08 0.00 -0.03 0.00 0.00 54.58 52.57 1uwo n ASN 37 Cb 0.80 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.75 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 0.45 2.83 -0.03 6.41 2.85 0.10 -4.70 115.26 123.18 1uwo n ASN 38 Ca 0.15 -0.05 -0.01 0.00 -0.11 0.00 0.00 54.58 54.56 1uwo n ASN 38 Cb 0.34 0.02 -0.07 0.00 1.24 0.00 0.00 39.78 41.31 1uwo n ASN 38 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1uwo n GLU 39 N -2.77 1.65 -3.15 1.20 0.28 -0.62 -4.73 120.64 112.50 1uwo n GLU 39 Ca -0.22 -0.04 -0.36 0.00 -0.16 0.00 0.00 57.16 56.38 1uwo n GLU 39 Cb 0.77 -1.21 -0.03 0.00 1.43 0.00 0.00 31.44 32.40 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 -2.10 5.39 0.00 -1.84 4.77 -0.46 -4.64 117.00 118.12 1uwo n LEU 40 Ca -0.09 -5.33 0.00 0.00 -0.03 0.00 0.00 56.01 50.57 1uwo n LEU 40 Cb 0.55 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1uwo n LEU 40 CO 0.18 1.87 0.38 -1.20 -1.33 0.00 0.00 177.39 177.29 1uwo n SER 41 N 1.04 1.37 0.00 -1.43 7.64 -1.25 -2.71 113.62 118.28 1uwo n SER 41 Ca 0.28 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.58 1uwo n SER 41 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1uwo n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uwo n HIS 42 N -0.29 0.00 0.02 1.43 1.44 -1.26 -4.30 115.22 112.26 1uwo n HIS 42 Ca 0.00 -0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1uwo n HIS 42 Cb 0.24 -0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.35 1uwo n HIS 42 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1uwo n PHE 43 N -0.00 0.00 -1.10 -1.40 -0.00 -1.26 -4.74 117.46 108.96 1uwo n PHE 43 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.34 1uwo n PHE 43 Cb 0.14 -0.01 0.27 0.00 -0.00 0.00 0.00 39.48 39.87 1uwo n PHE 43 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 1uwo n LEU 44 N -3.27 6.32 -3.64 -2.13 -0.00 -1.26 -4.95 117.00 108.07 1uwo n LEU 44 Ca -0.01 -3.34 -0.24 0.00 -0.00 0.00 0.00 56.01 52.42 1uwo n LEU 44 Cb 0.26 -0.78 0.01 0.00 -0.00 0.00 0.00 43.42 42.91 1uwo n LEU 44 CO 0.00 0.88 -0.18 -0.62 -0.00 0.00 0.00 177.39 177.48 1uwo n GLU 45 N -0.44 -1.60 0.00 1.47 1.02 -1.26 -3.57 120.64 116.25 1uwo n GLU 45 Ca 0.47 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 58.59 1uwo n GLU 45 Cb 1.48 -2.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1uwo n GLU 45 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1uwo n GLU 46 N -2.10 0.00 0.00 3.49 1.02 -1.10 -2.17 120.64 119.78 1uwo n GLU 46 Ca -0.24 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 1uwo n GLU 46 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.09 1uwo n GLU 46 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1uwo n ILE 47 N 0.00 0.00 0.00 -3.67 2.08 -1.23 -4.61 119.36 111.92 1uwo n ILE 47 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1uwo n ILE 47 Cb 0.00 -0.17 0.00 0.00 -0.75 0.00 0.00 39.64 38.72 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 -1.84 0.00 0.00 0.38 -0.00 -0.92 -4.23 118.16 111.55 1uwo n LYS 48 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1uwo n LYS 48 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.20 1uwo n LYS 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1uwo n GLU 49 N 0.00 0.00 -3.70 -1.58 1.02 -1.26 -4.95 120.64 110.18 1uwo n GLU 49 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1uwo n GLU 49 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1uwo n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uwo n GLN 50 N 0.00 -0.93 -0.05 3.49 0.00 -1.26 -4.81 117.38 113.81 1uwo n GLN 50 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 57.00 57.03 1uwo n GLN 50 Cb 0.00 -2.53 -0.01 0.00 0.00 0.00 0.00 30.24 27.69 1uwo n GLN 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1uwo n GLU 51 N -3.33 0.34 0.05 2.61 0.00 -1.26 -3.63 120.64 115.42 1uwo n GLU 51 Ca -0.17 0.46 0.12 0.00 0.00 0.00 0.00 57.16 57.57 1uwo n GLU 51 Cb 0.44 -1.46 0.19 0.00 0.00 0.00 0.00 31.44 30.61 1uwo n GLU 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1uwo n VAL 52 N -4.03 0.31 0.05 6.31 0.31 -1.26 -2.62 118.33 117.41 1uwo n VAL 52 Ca -0.05 -0.24 -0.05 0.00 -0.01 0.00 0.00 64.34 63.99 1uwo n VAL 52 Cb 0.20 -0.10 -0.09 0.00 -0.91 0.00 0.00 33.84 32.93 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 1.16 0.06 2.52 2.07 -1.91 -0.30 116.25 119.84 1uwo h VAL 53 Ca 0.00 -2.81 -0.29 0.00 0.82 0.00 0.00 66.70 64.42 1uwo h VAL 53 Cb 0.72 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 33.00 1uwo h VAL 53 CO 0.00 0.66 -1.58 -0.78 0.02 0.00 0.00 177.57 175.89 1uwo h ASP 54 N 0.00 0.18 0.00 0.57 3.58 -1.64 -2.64 116.42 116.47 1uwo h ASP 54 Ca -0.10 -0.31 -0.05 0.00 0.42 0.00 0.00 57.03 57.00 1uwo h ASP 54 Cb 1.73 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.71 1uwo h ASP 54 CO 0.09 1.26 -0.27 0.50 -2.88 0.00 0.00 179.24 177.95 1uwo h LYS 55 N 0.03 0.00 -0.79 0.28 3.64 -1.60 -3.32 116.57 114.82 1uwo h LYS 55 Ca -0.25 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1uwo h LYS 55 Cb 1.98 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.76 1uwo h LYS 55 CO 0.12 0.86 0.49 -0.24 -2.27 0.00 0.00 179.45 178.40 1uwo h VAL 56 N -1.00 1.22 -0.90 2.00 3.04 -1.22 -2.51 116.25 116.87 1uwo h VAL 56 Ca -0.07 -0.45 0.18 0.00 -1.01 0.00 0.00 66.70 65.35 1uwo h VAL 56 Cb 0.94 0.10 -0.17 0.00 -2.01 0.00 0.00 31.29 30.14 1uwo h VAL 56 CO -0.04 0.22 -0.23 -0.03 -1.01 0.00 0.00 177.57 176.48 1uwo h MET 57 N 1.08 -0.00 -0.65 4.17 1.85 -1.59 1.02 114.93 120.80 1uwo h MET 57 Ca 0.28 0.00 0.03 0.00 -0.61 0.00 0.00 59.70 59.41 1uwo h MET 57 Cb -0.06 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 31.92 1uwo h MET 57 CO -0.06 -0.00 0.40 0.93 -0.40 0.00 0.00 176.91 177.78 1uwo h GLU 58 N -0.00 0.75 0.00 0.39 5.08 -1.54 0.91 114.58 120.16 1uwo h GLU 58 Ca 0.43 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1uwo h GLU 58 Cb 0.66 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1uwo h GLU 58 CO -0.93 0.50 -0.04 1.15 -1.00 0.00 0.00 179.01 178.69 1uwo h THR 59 N 0.77 0.41 0.00 1.13 2.02 0.10 -1.39 112.91 115.95 1uwo h THR 59 Ca 0.27 -0.21 -0.19 0.00 0.77 0.00 0.00 66.41 67.04 1uwo h THR 59 Cb 0.05 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1uwo h THR 59 CO -0.12 0.04 -1.18 -0.07 0.37 0.00 0.00 175.52 174.56 1uwo h LEU 60 N 0.00 0.00 -9.09 2.58 3.38 0.13 -3.45 115.31 108.86 1uwo h LEU 60 Ca -0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1uwo h LEU 60 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1uwo h LEU 60 CO 0.01 0.74 1.31 -1.81 0.09 0.00 0.00 178.44 178.77 1uwo s ASP 61 N -6.20 6.01 0.29 -0.43 1.01 -0.26 -3.77 116.67 113.32 1uwo s ASP 61 Ca -0.01 1.98 0.03 0.00 0.71 0.00 0.00 52.55 55.26 1uwo s ASP 61 Cb 0.09 -2.52 0.70 0.00 1.01 0.00 0.00 42.92 42.19 1uwo s ASP 61 CO 0.80 -1.50 1.69 -1.13 0.21 0.00 0.00 175.17 175.24 1uwo h ASN 62 N 12.50 0.28 0.00 0.27 -0.73 -1.84 -3.35 115.58 122.71 1uwo h ASN 62 Ca -0.41 0.16 -0.06 0.00 1.87 0.00 0.00 56.30 57.86 1uwo h ASN 62 Cb 1.21 0.15 -0.06 0.00 0.27 0.00 0.00 38.32 39.89 1uwo h ASN 62 CO 0.97 -0.01 -0.13 0.47 -0.37 0.00 0.00 177.43 178.36 1uwo n ASP 63 N -5.07 -0.44 0.00 1.15 8.00 -1.26 -5.07 116.55 113.87 1uwo n ASP 63 Ca 0.21 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1uwo n ASP 63 Cb 0.64 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.87 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 -0.03 0.00 0.44 0.00 -1.26 -5.05 105.19 99.29 1uwo n GLY 64 Ca -0.12 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 0.00 0.00 1.61 9.92 -1.26 -4.99 116.55 121.83 1uwo n ASP 65 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1uwo n ASP 65 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 -0.25 2.65 3.55 0.44 0.00 -1.26 -4.92 105.19 105.40 1uwo n GLY 66 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.50 2.83 0.64 1.61 2.02 -1.19 -3.32 118.70 120.79 1uwo s GLU 67 Ca 0.00 0.10 -0.16 0.00 0.02 0.00 0.00 54.97 54.93 1uwo s GLU 67 Cb 0.00 -4.54 -0.01 0.00 0.10 0.00 0.00 34.13 29.68 1uwo s GLU 67 CO 0.00 -2.66 1.11 0.00 0.02 0.00 0.00 175.26 173.73 1uwo s ASP 69 N -2.47 4.47 0.07 0.00 1.01 -1.25 -3.75 116.67 114.76 1uwo s ASP 69 Ca 0.68 -1.11 -0.24 0.00 0.71 0.00 0.00 52.55 52.60 1uwo s ASP 69 Cb -0.21 -0.34 -0.16 0.00 1.01 0.00 0.00 42.92 43.22 1uwo s ASP 69 CO 0.39 -0.63 1.67 0.15 0.21 0.00 0.00 175.17 176.97 1uwo h PHE 70 N 1.32 -0.02 -1.00 4.23 3.04 -1.97 0.41 116.94 122.96 1uwo h PHE 70 Ca -0.42 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 61.64 1uwo h PHE 70 Cb 1.26 0.01 -0.08 0.00 2.56 0.00 0.00 35.95 39.69 1uwo h PHE 70 CO 0.71 0.06 0.63 1.96 -2.02 0.00 0.00 178.31 179.65 1uwo h GLN 71 N -0.09 0.98 0.00 1.11 7.50 -2.00 0.20 115.11 122.82 1uwo h GLN 71 Ca -0.00 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.09 1uwo h GLN 71 Cb 0.08 -0.22 0.00 0.00 0.05 0.00 0.00 27.48 27.39 1uwo h GLN 71 CO 0.00 0.65 0.00 0.93 -1.50 0.00 0.00 178.83 178.91 1uwo h GLU 72 N 1.01 0.00 0.25 1.46 5.08 -1.76 -2.75 114.58 117.87 1uwo h GLU 72 Ca 0.49 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.84 1uwo h GLU 72 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1uwo h GLU 72 CO -0.26 0.00 -0.12 0.35 -1.00 0.00 0.00 179.01 177.98 1uwo h PHE 73 N 0.00 -0.31 -0.41 4.33 3.57 0.30 0.27 116.94 124.69 1uwo h PHE 73 Ca 0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1uwo h PHE 73 Cb 0.88 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1uwo h PHE 73 CO 0.00 0.06 0.11 1.98 -2.23 0.00 0.00 178.31 178.23 1uwo h MET 74 N -0.82 0.65 0.00 1.11 4.05 -1.51 -1.60 114.93 116.81 1uwo h MET 74 Ca -0.03 -0.15 -0.02 0.00 -0.28 0.00 0.00 59.70 59.21 1uwo h MET 74 Cb 0.51 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1uwo h MET 74 CO 0.06 0.66 -0.10 0.00 0.23 0.00 0.00 176.91 177.75 1uwo h ALA 75 N 0.96 1.34 0.35 0.39 0.00 -1.52 -0.26 119.26 120.52 1uwo h ALA 75 Ca 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1uwo h ALA 75 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1uwo h ALA 75 CO -0.00 0.13 -0.17 0.35 0.00 0.00 0.00 179.25 179.56 1uwo h PHE 76 N 0.00 -0.43 0.00 0.00 3.57 0.54 -1.46 116.94 119.16 1uwo h PHE 76 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1uwo h PHE 76 Cb 0.28 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1uwo h PHE 76 CO 0.00 -0.27 -0.01 0.28 -2.23 0.00 0.00 178.31 176.08 1uwo h VAL 77 N -0.55 0.22 -0.54 1.41 2.07 -1.39 -1.37 116.25 116.09 1uwo h VAL 77 Ca -0.05 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 1uwo h VAL 77 Cb 0.36 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1uwo h VAL 77 CO 0.08 0.01 -0.02 0.00 0.02 0.00 0.00 177.57 177.66 1uwo h ALA 78 N 1.99 0.74 0.04 1.67 0.00 -0.76 -1.08 119.26 121.85 1uwo h ALA 78 Ca -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1uwo h ALA 78 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1uwo h ALA 78 CO 0.00 0.58 -0.02 0.52 0.00 0.00 0.00 179.25 180.33 1uwo h MET 79 N 0.85 -0.05 -0.31 0.00 2.86 -0.18 -1.72 114.93 116.38 1uwo h MET 79 Ca 0.15 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.88 1uwo h MET 79 Cb 0.56 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1uwo h MET 79 CO 0.03 -0.03 0.69 0.28 1.06 0.00 0.00 176.91 178.94 1uwo h VAL 80 N -0.39 0.09 0.00 -2.22 2.07 -1.56 1.79 116.25 116.04 1uwo h VAL 80 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1uwo h VAL 80 Cb 0.04 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1uwo h VAL 80 CO 0.01 0.00 -0.01 0.74 0.02 0.00 0.00 177.57 178.33 1uwo h THR 81 N 0.00 0.00 0.00 2.57 2.02 -1.21 -3.32 112.91 112.97 1uwo h THR 81 Ca 0.15 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1uwo h THR 81 Cb 1.53 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1uwo h THR 81 CO -0.00 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 175.82 1uwo h THR 82 N -0.20 1.61 -0.83 3.16 1.03 -0.54 -3.05 112.91 114.10 1uwo h THR 82 Ca 0.00 -1.90 0.33 0.00 -0.01 0.00 0.00 66.41 64.83 1uwo h THR 82 Cb 0.01 2.88 -0.15 0.00 -1.07 0.00 0.00 68.15 69.81 1uwo h THR 82 CO 0.00 0.50 0.39 0.00 -0.01 0.00 0.00 175.52 176.40 1uwo n ALA 83 N -2.51 0.79 0.05 0.00 0.00 0.60 0.16 120.51 119.60 1uwo n ALA 83 Ca -0.10 0.85 -0.20 0.00 0.00 0.00 0.00 53.44 53.99 1uwo n ALA 83 Cb 0.42 -0.82 -0.12 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 -4.03 0.16 0.10 0.00 -0.00 0.43 -1.95 115.22 109.93 1uwo n HIS 85 Ca -0.12 0.07 -0.22 0.00 -0.00 0.00 0.00 57.72 57.45 1uwo n HIS 85 Cb 0.83 -0.62 -0.15 0.00 -0.00 0.00 0.00 29.99 30.05 1uwo n HIS 85 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1uwo h GLU 86 N 0.00 0.41 -0.19 1.57 4.57 -0.71 -3.20 114.58 117.04 1uwo h GLU 86 Ca 0.00 -0.71 0.05 0.00 -1.18 0.00 0.00 59.36 57.52 1uwo h GLU 86 Cb 0.12 0.26 -0.05 0.00 -0.16 0.00 0.00 28.75 28.92 1uwo h GLU 86 CO 0.00 1.32 -0.14 0.35 -1.18 0.00 0.00 179.01 179.37 1uwo h PHE 87 N 0.11 -0.34 0.00 0.92 3.04 -1.42 0.16 116.94 119.41 1uwo h PHE 87 Ca -0.29 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.67 1uwo h PHE 87 Cb 2.11 0.18 -0.00 0.00 2.56 0.00 0.00 35.95 40.79 1uwo h PHE 87 CO 0.10 -0.20 -0.05 0.35 -2.02 0.00 0.00 178.31 176.49 1uwo h PHE 88 N -0.14 0.00 -0.02 0.41 3.57 -1.69 -2.60 116.94 116.48 1uwo h PHE 88 Ca 0.11 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1uwo h PHE 88 Cb 0.30 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 1uwo h PHE 88 CO -0.28 0.05 -0.01 0.93 -2.23 0.00 0.00 178.31 176.77 1uwo h GLU 89 N 0.00 0.04 0.00 1.11 5.08 -0.71 -3.45 114.58 116.64 1uwo h GLU 89 Ca -0.00 -0.02 -0.51 0.00 -1.00 0.00 0.00 59.36 57.83 1uwo h GLU 89 Cb 0.16 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.42 1uwo h GLU 89 CO 0.01 0.47 -0.13 0.72 -1.00 0.00 0.00 179.01 179.08 1uwo n HIS 90 N -4.85 -1.80 1.21 4.33 8.25 -0.72 -5.11 115.22 116.52 1uwo n HIS 90 Ca -0.08 -2.18 0.13 0.00 -0.26 0.00 0.00 57.72 55.33 1uwo n HIS 90 Cb 0.24 -0.52 0.27 0.00 1.12 0.00 0.00 29.99 31.10 1uwo n HIS 90 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07