#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 0.04 0.00 -1.46 9.09 -2.04 0.46 114.58 120.68 1uwo h GLU 2 Ca 0.00 -0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 1uwo h GLU 2 Cb 0.00 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.08 1uwo h GLU 2 CO 0.00 0.03 -0.28 -0.07 0.05 0.00 0.00 179.01 178.74 1uwo h LEU 3 N 0.04 0.00 0.55 3.06 4.07 -2.04 -2.51 115.31 118.47 1uwo h LEU 3 Ca 0.33 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.26 1uwo h LEU 3 Cb 0.52 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.27 1uwo h LEU 3 CO -0.63 0.28 -0.26 -0.33 -1.08 0.00 0.00 178.44 176.42 1uwo h GLU 4 N 0.00 -0.71 -0.74 1.13 5.08 -0.55 0.66 114.58 119.46 1uwo h GLU 4 Ca -0.00 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1uwo h GLU 4 Cb 1.04 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1uwo h GLU 4 CO 0.04 -0.47 0.34 -0.22 -1.00 0.00 0.00 179.01 177.69 1uwo h LYS 5 N -0.81 1.06 0.00 2.33 3.64 -1.38 -0.43 116.57 120.98 1uwo h LYS 5 Ca -0.07 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1uwo h LYS 5 Cb 0.56 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1uwo h LYS 5 CO 0.12 0.83 0.00 0.00 -2.27 0.00 0.00 179.45 178.13 1uwo h ALA 6 N 1.32 1.00 0.09 5.00 0.00 -1.39 -2.73 119.26 122.56 1uwo h ALA 6 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1uwo h ALA 6 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1uwo h ALA 6 CO -0.03 0.00 -0.53 1.98 0.00 0.00 0.00 179.25 180.67 1uwo h MET 7 N 0.00 0.19 -0.60 0.00 1.85 0.21 -1.89 114.93 114.68 1uwo h MET 7 Ca 0.00 -0.33 -0.05 0.00 -0.61 0.00 0.00 59.70 58.71 1uwo h MET 7 Cb 0.41 0.12 -0.03 0.00 0.43 0.00 0.00 31.60 32.54 1uwo h MET 7 CO 0.00 1.16 0.18 0.28 -0.40 0.00 0.00 176.91 178.13 1uwo h VAL 8 N -0.60 1.24 0.26 -5.77 2.07 -1.36 -1.86 116.25 110.24 1uwo h VAL 8 Ca -0.09 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1uwo h VAL 8 Cb 1.42 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1uwo h VAL 8 CO 0.10 0.32 -0.13 0.00 0.02 0.00 0.00 177.57 177.88 1uwo h ALA 9 N 1.06 -0.35 -0.76 1.67 0.00 -1.60 -2.44 119.26 116.84 1uwo h ALA 9 Ca 0.19 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.09 1uwo h ALA 9 Cb 0.30 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 1uwo h ALA 9 CO -0.00 -0.51 0.12 -0.07 0.00 0.00 0.00 179.25 178.79 1uwo h LEU 10 N -0.74 -0.13 -1.11 0.00 4.07 -1.30 0.47 115.31 116.57 1uwo h LEU 10 Ca -0.04 0.17 0.02 0.00 0.08 0.00 0.00 57.88 58.12 1uwo h LEU 10 Cb 0.49 0.26 -0.05 0.00 1.08 0.00 0.00 40.66 42.45 1uwo h LEU 10 CO 0.06 -0.11 0.60 0.40 -1.08 0.00 0.00 178.44 178.31 1uwo h ILE 11 N 0.19 1.19 0.00 1.22 2.04 -1.26 0.17 117.51 121.06 1uwo h ILE 11 Ca 0.43 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1uwo h ILE 11 Cb 0.77 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1uwo h ILE 11 CO -0.59 0.22 -0.10 0.44 0.00 0.00 0.00 178.15 178.11 1uwo h ASP 12 N 1.18 0.00 0.96 1.72 3.32 0.41 -1.98 116.42 122.04 1uwo h ASP 12 Ca 0.35 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.18 1uwo h ASP 12 Cb -0.05 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1uwo h ASP 12 CO -0.09 0.10 -1.06 0.58 -1.72 0.00 0.00 179.24 177.05 1uwo h VAL 13 N 0.00 1.61 -0.09 -1.35 2.07 -0.08 -0.38 116.25 118.03 1uwo h VAL 13 Ca -0.00 -3.33 -0.04 0.00 0.82 0.00 0.00 66.70 64.16 1uwo h VAL 13 Cb 0.31 2.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1uwo h VAL 13 CO 0.01 0.92 -0.08 0.15 0.02 0.00 0.00 177.57 178.59 1uwo h PHE 14 N 0.00 0.25 0.07 1.57 3.57 -0.77 -0.57 116.94 121.07 1uwo h PHE 14 Ca -0.04 -0.07 -0.24 0.00 3.53 0.00 0.00 57.97 61.15 1uwo h PHE 14 Cb 1.78 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.46 1uwo h PHE 14 CO 0.00 0.63 -1.10 1.25 -2.23 0.00 0.00 178.31 176.87 1uwo h HIS 15 N -0.20 0.35 0.31 0.41 2.76 -1.60 -2.23 115.15 114.95 1uwo h HIS 15 Ca 0.01 -0.24 -0.02 0.00 -2.20 0.00 0.00 60.37 57.93 1uwo h HIS 15 Cb 0.59 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.53 1uwo h HIS 15 CO 0.09 1.15 -0.15 0.37 -1.30 0.00 0.00 177.93 178.08 1uwo h GLN 16 N 0.07 -0.41 -0.37 5.26 4.15 -1.09 0.64 115.11 123.37 1uwo h GLN 16 Ca -0.08 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.42 1uwo h GLN 16 Cb 1.81 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 29.54 1uwo h GLN 16 CO 0.17 -0.27 0.07 1.88 -1.93 0.00 0.00 178.83 178.75 1uwo h TYR 17 N -0.66 0.11 0.00 3.99 -1.99 -1.25 0.13 116.97 117.29 1uwo h TYR 17 Ca -0.04 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1uwo h TYR 17 Cb 0.32 0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.06 1uwo h TYR 17 CO 0.06 0.01 0.00 1.03 -0.00 0.00 0.00 178.16 179.26 1uwo h SER 18 N 0.19 0.00 -0.37 3.88 0.87 -1.48 -2.13 113.55 114.51 1uwo h SER 18 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1uwo h SER 18 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1uwo h SER 18 CO -0.24 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.67 1uwo n GLY 19 N -0.03 1.82 0.10 5.77 0.00 0.22 -3.83 105.19 109.24 1uwo n GLY 19 Ca 0.01 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 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 2.37 0.17 -7.47 1.61 2.47 -0.91 -3.46 114.38 109.16 1uwo h ARG 20 Ca 0.00 -0.29 -0.46 0.00 -1.26 0.00 0.00 59.98 57.97 1uwo h ARG 20 Cb 1.05 0.11 0.13 0.00 -1.65 0.00 0.00 29.97 29.61 1uwo h ARG 20 CO 0.17 1.14 0.28 -2.00 0.56 0.00 0.00 179.97 180.13 1uwo s GLU 21 N -2.36 1.07 0.21 0.04 -6.30 -1.26 -4.91 118.70 105.19 1uwo s GLU 21 Ca -0.17 0.34 -0.17 0.00 -2.50 0.00 0.00 54.97 52.46 1uwo s GLU 21 Cb 0.00 -1.83 0.20 0.00 0.00 0.00 0.00 34.13 32.51 1uwo s GLU 21 CO 0.76 -2.26 1.59 0.78 0.02 0.00 0.00 175.26 176.15 1uwo h GLY 22 N -1.54 0.12 0.00 -1.50 0.00 -1.92 -3.40 103.07 94.83 1uwo h GLY 22 Ca -0.51 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1uwo h GLY 22 CO 0.61 -0.23 0.00 1.22 0.00 0.00 0.00 176.54 178.14 1uwo n ASP 23 N -5.46 -0.30 0.00 0.19 9.92 -1.26 -5.06 116.55 114.57 1uwo n ASP 23 Ca 0.07 -0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1uwo n ASP 23 Cb 0.37 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 1uwo n ASP 23 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1uwo n LYS 24 N -0.40 0.00 0.00 -1.24 2.85 -1.25 -4.55 118.16 113.57 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 1.58 -0.05 0.00 0.00 177.40 178.93 1uwo n HIS 25 N 0.00 0.00 -4.10 5.58 -0.00 -1.25 -4.84 115.22 110.61 1uwo n HIS 25 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 1uwo n HIS 25 Cb 0.00 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.79 1uwo n HIS 25 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1uwo s LYS 26 N -1.00 1.21 0.35 1.57 -2.85 -1.26 -4.90 119.74 112.87 1uwo s LYS 26 Ca 0.00 -1.42 -0.13 0.00 -1.00 0.00 0.00 55.97 53.43 1uwo s LYS 26 Cb 0.00 0.33 -0.08 0.00 -2.06 0.00 0.00 37.83 36.02 1uwo s LYS 26 CO 0.00 -0.43 0.74 -0.51 0.10 0.00 0.00 175.35 175.26 1uwo s LEU 27 N -3.07 3.97 -0.66 2.77 1.43 -1.24 -4.63 118.68 117.24 1uwo s LEU 27 Ca 0.28 1.20 0.06 0.00 -1.03 0.00 0.00 54.13 54.64 1uwo s LEU 27 Cb 0.05 -4.04 0.26 0.00 0.03 0.00 0.00 46.19 42.49 1uwo s LEU 27 CO 0.07 -0.29 0.79 2.29 0.23 0.00 0.00 176.35 179.45 1uwo n LYS 28 N -0.77 2.66 0.00 1.70 2.85 -1.25 -1.62 118.16 121.74 1uwo n LYS 28 Ca 0.03 -4.69 0.00 0.00 -1.05 0.00 0.00 58.31 52.60 1uwo n LYS 28 Cb 0.53 -2.27 0.00 0.00 -0.65 0.00 0.00 35.03 32.65 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 0.80 0.00 -0.32 -1.58 0.00 -0.73 -3.82 118.16 112.51 1uwo n LYS 29 Ca 0.30 0.00 0.31 0.00 0.00 0.00 0.00 58.31 58.92 1uwo n LYS 29 Cb 0.41 0.00 0.66 0.00 0.00 0.00 0.00 35.03 36.10 1uwo n LYS 29 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1uwo h SER 30 N 0.00 0.16 -0.51 3.14 0.02 -1.94 0.52 113.55 114.95 1uwo h SER 30 Ca 0.00 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1uwo h SER 30 Cb 0.00 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1uwo h SER 30 CO 0.00 0.02 0.13 -0.33 -1.14 0.00 0.00 176.83 175.51 1uwo h GLU 31 N 0.14 0.81 0.52 3.45 4.39 -1.92 -1.38 114.58 120.58 1uwo h GLU 31 Ca 0.58 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 60.07 1uwo h GLU 31 Cb 2.00 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 30.53 1uwo h GLU 31 CO -0.12 0.77 -0.44 -0.07 -1.16 0.00 0.00 179.01 178.00 1uwo h LEU 32 N 0.70 -1.17 -1.35 1.33 -0.00 -0.27 -1.85 115.31 112.71 1uwo h LEU 32 Ca 0.16 0.08 0.19 0.00 -0.00 0.00 0.00 57.88 58.31 1uwo h LEU 32 Cb 0.32 0.37 -0.08 0.00 -0.00 0.00 0.00 40.66 41.28 1uwo h LEU 32 CO 0.00 -0.61 0.60 0.50 -0.00 0.00 0.00 178.44 178.94 1uwo h LYS 33 N -0.93 0.53 -0.87 1.13 3.64 -1.42 0.17 116.57 118.82 1uwo h LYS 33 Ca -0.07 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1uwo h LYS 33 Cb 0.79 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 1uwo h LYS 33 CO -0.01 0.35 0.57 0.93 -2.27 0.00 0.00 179.45 179.03 1uwo h GLU 34 N 0.55 1.07 -0.04 1.90 3.07 -0.46 0.16 114.58 120.82 1uwo h GLU 34 Ca 0.50 -0.06 -0.24 0.00 -0.50 0.00 0.00 59.36 59.05 1uwo h GLU 34 Cb 1.03 -0.24 0.01 0.00 -0.84 0.00 0.00 28.75 28.71 1uwo h GLU 34 CO -0.23 0.71 -0.94 1.25 -1.40 0.00 0.00 179.01 178.40 1uwo h LEU 35 N 1.10 0.81 -0.27 1.33 5.85 -0.03 -1.75 115.31 122.35 1uwo h LEU 35 Ca 0.34 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1uwo h LEU 35 Cb -0.01 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1uwo h LEU 35 CO -0.10 1.41 0.00 -0.38 -0.34 0.00 0.00 178.44 179.03 1uwo n ILE 36 N -3.85 0.66 -0.09 4.05 5.41 -0.69 -1.29 119.36 123.56 1uwo n ILE 36 Ca -0.09 -0.05 -0.12 0.00 1.00 0.00 0.00 62.75 63.50 1uwo n ILE 36 Cb 0.83 -0.82 -0.05 0.00 -0.71 0.00 0.00 39.64 38.90 1uwo n ILE 36 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1uwo n ASN 37 N -2.16 1.87 0.02 4.38 5.03 0.51 -1.03 115.26 123.88 1uwo n ASN 37 Ca 0.04 0.48 0.10 0.00 0.87 0.00 0.00 54.58 56.08 1uwo n ASN 37 Cb 0.34 -0.85 0.44 0.00 -1.02 0.00 0.00 39.78 38.68 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 -4.50 0.15 0.00 6.41 2.85 -0.67 -3.27 115.26 116.23 1uwo n ASN 38 Ca -0.19 0.53 0.00 0.00 -0.11 0.00 0.00 54.58 54.81 1uwo n ASN 38 Cb 0.48 -0.56 0.00 0.00 1.24 0.00 0.00 39.78 40.94 1uwo n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1uwo n GLU 39 N -1.65 2.54 -3.19 1.20 -0.58 -0.41 -4.83 120.64 113.72 1uwo n GLU 39 Ca 0.05 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.50 1uwo n GLU 39 Cb 0.25 -0.97 -0.06 0.00 -0.57 0.00 0.00 31.44 30.09 1uwo n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1uwo n LEU 40 N -2.10 4.36 -1.15 -4.62 4.32 -0.20 -4.72 117.00 112.89 1uwo n LEU 40 Ca 0.00 -5.52 0.03 0.00 -0.02 0.00 0.00 56.01 50.50 1uwo n LEU 40 Cb 0.47 -0.69 0.02 0.00 -1.62 0.00 0.00 43.42 41.61 1uwo n LEU 40 CO 0.00 2.14 0.13 -1.20 -1.22 0.00 0.00 177.39 177.25 1uwo n SER 41 N 0.44 0.75 0.00 -1.43 7.64 -1.20 -4.14 113.62 115.68 1uwo n SER 41 Ca 0.31 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 58.10 1uwo n SER 41 Cb 0.39 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1uwo n SER 41 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1uwo n HIS 42 N 0.26 -1.45 0.00 1.43 -0.00 -1.26 -4.75 115.22 109.45 1uwo n HIS 42 Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 1uwo n HIS 42 Cb 0.99 0.29 0.00 0.00 -0.12 0.00 0.00 29.99 31.15 1uwo n HIS 42 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1uwo n PHE 43 N -2.11 0.00 0.00 1.57 7.35 -1.26 -4.84 117.46 118.17 1uwo n PHE 43 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1uwo n PHE 43 Cb 0.00 -0.41 0.00 0.00 0.35 0.00 0.00 39.48 39.42 1uwo n PHE 43 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 1uwo n LEU 44 N -1.72 0.00 -4.51 -2.13 -0.00 -1.26 -4.93 117.00 102.45 1uwo n LEU 44 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 1uwo n LEU 44 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 1uwo n LEU 44 CO 0.00 0.00 0.51 -1.61 -0.00 0.00 0.00 177.39 176.29 1uwo s GLU 45 N 0.00 3.29 0.90 1.47 0.41 -1.26 -4.88 118.70 118.63 1uwo s GLU 45 Ca 0.00 -0.39 -0.16 0.00 -0.41 0.00 0.00 54.97 54.01 1uwo s GLU 45 Cb 0.00 -4.01 -0.10 0.00 -1.78 0.00 0.00 34.13 28.24 1uwo s GLU 45 CO 0.00 -1.21 -0.34 0.39 -0.49 0.00 0.00 175.26 173.62 1uwo n GLU 46 N 6.67 -0.03 0.09 1.61 1.02 -1.26 -4.88 120.64 123.86 1uwo n GLU 46 Ca -0.01 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 1uwo n GLU 46 Cb 0.47 -1.26 -0.08 0.00 -0.02 0.00 0.00 31.44 30.55 1uwo n GLU 46 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1uwo h ILE 47 N -0.94 0.86 -3.52 -3.67 1.08 -1.85 -3.45 117.51 106.02 1uwo h ILE 47 Ca -0.44 -0.86 0.00 0.00 -0.39 0.00 0.00 64.86 63.18 1uwo h ILE 47 Cb 1.32 1.33 0.00 0.00 -3.07 0.00 0.00 36.82 36.40 1uwo h ILE 47 CO 0.30 0.18 0.00 2.29 -0.69 0.00 0.00 178.15 180.22 1uwo n LYS 48 N -5.01 -2.02 0.00 2.37 2.85 -1.26 -3.82 118.16 111.26 1uwo n LYS 48 Ca -0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 1uwo n LYS 48 Cb 0.26 -4.20 0.00 0.00 -0.65 0.00 0.00 35.03 30.44 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 -1.76 0.00 -3.95 -1.58 1.02 -1.26 -4.92 120.64 108.20 1uwo n GLU 49 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1uwo n GLU 49 Cb 0.26 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.62 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 0.00 -1.45 0.00 3.49 6.02 -1.25 -4.82 117.38 119.37 1uwo n GLN 50 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1uwo n GLN 50 Cb 0.00 -4.68 0.00 0.00 1.02 0.00 0.00 30.24 26.58 1uwo n GLN 50 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1uwo n GLU 51 N -3.62 0.00 0.00 -1.09 2.13 -1.26 -1.44 120.64 115.36 1uwo n GLU 51 Ca 0.08 0.47 0.14 0.00 0.66 0.00 0.00 57.16 58.52 1uwo n GLU 51 Cb 0.47 -1.26 0.60 0.00 0.27 0.00 0.00 31.44 31.51 1uwo n GLU 51 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1uwo n VAL 52 N -1.92 0.00 0.01 6.31 0.31 -1.26 -2.35 118.33 119.43 1uwo n VAL 52 Ca 0.00 -0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1uwo n VAL 52 Cb 0.00 -0.43 -0.14 0.00 -0.91 0.00 0.00 33.84 32.35 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 1.52 0.00 2.52 2.07 -1.93 -1.39 116.25 119.05 1uwo h VAL 53 Ca 0.00 -2.47 -0.13 0.00 0.82 0.00 0.00 66.70 64.92 1uwo h VAL 53 Cb 0.49 3.18 -0.02 0.00 -1.52 0.00 0.00 31.29 33.42 1uwo h VAL 53 CO 0.00 0.68 -0.63 -0.78 0.02 0.00 0.00 177.57 176.86 1uwo h ASP 54 N -0.53 0.00 0.12 0.57 1.82 -1.30 -1.92 116.42 115.18 1uwo h ASP 54 Ca -0.13 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.51 1uwo h ASP 54 Cb 1.49 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.50 1uwo h ASP 54 CO 0.10 0.63 -0.06 0.11 -1.61 0.00 0.00 179.24 178.41 1uwo h LYS 55 N 0.00 -0.15 -0.31 0.28 1.57 -1.55 -3.21 116.57 113.20 1uwo h LYS 55 Ca -0.01 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1uwo h LYS 55 Cb 1.24 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 1uwo h LYS 55 CO 0.08 0.20 0.09 -0.39 -0.57 0.00 0.00 179.45 178.86 1uwo h VAL 56 N -0.98 0.89 -0.93 0.50 -1.51 -1.33 -1.88 116.25 111.02 1uwo h VAL 56 Ca -0.02 -0.07 0.26 0.00 -1.23 0.00 0.00 66.70 65.64 1uwo h VAL 56 Cb 0.42 0.66 -0.16 0.00 -2.13 0.00 0.00 31.29 30.08 1uwo h VAL 56 CO 0.03 0.04 0.16 -0.03 -1.23 0.00 0.00 177.57 176.54 1uwo h MET 57 N 0.22 0.09 -0.27 5.19 1.85 -1.46 0.57 114.93 121.12 1uwo h MET 57 Ca 0.14 -0.01 0.05 0.00 -0.61 0.00 0.00 59.70 59.27 1uwo h MET 57 Cb 0.12 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.09 1uwo h MET 57 CO -0.16 0.06 -0.00 0.93 -0.40 0.00 0.00 176.91 177.34 1uwo h GLU 58 N 0.10 0.08 0.00 0.39 5.08 -1.34 0.38 114.58 119.27 1uwo h GLU 58 Ca 0.59 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1uwo h GLU 58 Cb 1.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1uwo h GLU 58 CO -0.78 0.05 0.00 -2.37 -1.00 0.00 0.00 179.01 174.91 1uwo n THR 59 N -5.16 0.22 -0.15 1.13 5.66 0.15 -2.73 114.28 113.40 1uwo n THR 59 Ca -0.01 0.06 0.10 0.00 -3.05 0.00 0.00 64.05 61.15 1uwo n THR 59 Cb 0.14 -0.62 0.30 0.00 -1.55 0.00 0.00 70.33 68.60 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 -1.45 3.72 -4.62 1.09 4.77 0.13 -4.89 117.00 115.75 1uwo n LEU 60 Ca 0.08 -1.87 -0.43 0.00 -0.03 0.00 0.00 56.01 53.76 1uwo n LEU 60 Cb 0.28 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1uwo n LEU 60 CO 0.23 0.82 1.07 1.51 -1.33 0.00 0.00 177.39 179.68 1uwo s ASP 61 N -0.95 6.71 0.09 -1.43 -4.77 -0.88 -3.98 116.67 111.46 1uwo s ASP 61 Ca 0.44 0.96 -0.24 0.00 -3.30 0.00 0.00 52.55 50.41 1uwo s ASP 61 Cb 0.25 -2.54 -0.15 0.00 -1.09 0.00 0.00 42.92 39.38 1uwo s ASP 61 CO 0.27 -1.09 1.72 -1.13 0.70 0.00 0.00 175.17 175.64 1uwo h ASN 62 N 9.04 -0.04 0.00 2.11 -0.73 -1.80 -3.39 115.58 120.76 1uwo h ASN 62 Ca -0.24 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.92 1uwo h ASN 62 Cb 1.08 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.68 1uwo h ASN 62 CO 1.06 -0.02 -0.16 -0.67 -0.37 0.00 0.00 177.43 177.28 1uwo n ASP 63 N -5.10 0.00 -0.59 1.15 -0.08 -1.26 -5.05 116.55 105.61 1uwo n ASP 63 Ca -0.07 -1.31 0.00 0.00 -1.51 0.00 0.00 54.79 51.89 1uwo n ASP 63 Cb 0.05 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.45 1uwo n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uwo n GLY 64 N 0.00 0.26 0.63 0.27 0.00 -1.26 -5.04 105.19 100.05 1uwo n GLY 64 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.53 1uwo n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uwo n ASP 65 N -0.29 -0.15 -1.57 1.61 -0.08 -1.26 -4.94 116.55 109.87 1uwo n ASP 65 Ca 0.00 -0.35 -0.10 0.00 -1.51 0.00 0.00 54.79 52.84 1uwo n ASP 65 Cb 0.10 0.05 -0.03 0.00 2.34 0.00 0.00 41.12 43.57 1uwo n ASP 65 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1uwo n GLY 66 N -0.01 0.58 3.21 0.27 0.00 -1.26 -4.86 105.19 103.12 1uwo n GLY 66 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.36 2.68 0.82 1.61 2.02 -1.26 -1.77 118.70 119.44 1uwo s GLU 67 Ca 0.00 -2.03 -0.11 0.00 0.02 0.00 0.00 54.97 52.85 1uwo s GLU 67 Cb 0.00 -3.97 0.09 0.00 0.10 0.00 0.00 34.13 30.34 1uwo s GLU 67 CO 0.00 -1.21 1.09 0.00 0.02 0.00 0.00 175.26 175.16 1uwo s ASP 69 N -3.42 2.43 0.15 0.00 2.15 -1.26 -3.69 116.67 113.04 1uwo s ASP 69 Ca 0.62 -1.41 -0.20 0.00 0.43 0.00 0.00 52.55 51.99 1uwo s ASP 69 Cb -0.17 -0.01 0.05 0.00 -0.30 0.00 0.00 42.92 42.48 1uwo s ASP 69 CO 0.56 -0.65 1.66 0.15 -0.17 0.00 0.00 175.17 176.73 1uwo h PHE 70 N 2.07 -0.36 -0.55 -5.34 3.04 -1.97 0.29 116.94 114.12 1uwo h PHE 70 Ca -0.40 0.03 0.15 0.00 3.98 0.00 0.00 57.97 61.73 1uwo h PHE 70 Cb 1.25 0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.94 1uwo h PHE 70 CO 0.68 -0.22 0.39 -0.56 -2.02 0.00 0.00 178.31 176.59 1uwo h GLN 71 N -0.10 0.06 0.00 1.11 3.07 -2.01 0.24 115.11 117.47 1uwo h GLN 71 Ca 0.15 -0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.78 1uwo h GLN 71 Cb 0.34 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.87 1uwo h GLN 71 CO -0.36 0.04 -0.70 0.93 0.09 0.00 0.00 178.83 178.83 1uwo h GLU 72 N 0.06 0.00 0.62 0.06 5.08 -0.94 -2.59 114.58 116.87 1uwo h GLU 72 Ca 0.26 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1uwo h GLU 72 Cb 0.96 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.21 1uwo h GLU 72 CO -0.02 0.43 -0.30 0.35 -1.00 0.00 0.00 179.01 178.47 1uwo h PHE 73 N 0.00 -0.77 -0.08 4.33 3.57 0.25 0.26 116.94 124.49 1uwo h PHE 73 Ca -0.04 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1uwo h PHE 73 Cb 1.40 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 40.40 1uwo h PHE 73 CO 0.00 -0.43 0.02 1.98 -2.23 0.00 0.00 178.31 177.65 1uwo h MET 74 N -1.03 0.13 -0.23 1.11 4.05 -1.61 -1.47 114.93 115.88 1uwo h MET 74 Ca -0.08 -0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.37 1uwo h MET 74 Cb 0.69 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 1uwo h MET 74 CO 0.14 0.30 0.27 0.00 0.23 0.00 0.00 176.91 177.85 1uwo h ALA 75 N 0.83 1.84 0.04 0.39 0.00 -1.45 -0.19 119.26 120.72 1uwo h ALA 75 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1uwo h ALA 75 Cb 0.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1uwo h ALA 75 CO -0.00 -0.39 -0.02 0.35 0.00 0.00 0.00 179.25 179.19 1uwo h PHE 76 N 0.00 -0.05 -0.07 0.00 3.57 0.62 -2.46 116.94 118.55 1uwo h PHE 76 Ca 0.11 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1uwo h PHE 76 Cb 0.66 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1uwo h PHE 76 CO 0.00 -0.03 0.34 0.28 -2.23 0.00 0.00 178.31 176.67 1uwo h VAL 77 N -0.07 0.07 0.02 1.41 2.07 -1.20 -0.27 116.25 118.28 1uwo h VAL 77 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1uwo h VAL 77 Cb 0.04 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1uwo h VAL 77 CO 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.59 1uwo h ALA 78 N 1.38 -0.03 0.21 1.67 0.00 -0.84 -1.26 119.26 120.40 1uwo h ALA 78 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1uwo h ALA 78 Cb 0.72 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1uwo h ALA 78 CO -0.00 -0.36 -0.10 0.52 0.00 0.00 0.00 179.25 179.30 1uwo h MET 79 N -0.33 -0.27 -0.36 0.00 2.86 -0.59 -1.81 114.93 114.43 1uwo h MET 79 Ca -0.00 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.76 1uwo h MET 79 Cb 0.31 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1uwo h MET 79 CO 0.00 -0.18 0.71 0.28 1.06 0.00 0.00 176.91 178.79 1uwo h VAL 80 N -0.72 0.10 0.00 -2.22 2.07 -1.54 1.71 116.25 115.66 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 0.22 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1uwo h VAL 80 CO 0.05 0.00 -0.00 0.74 0.02 0.00 0.00 177.57 178.38 1uwo h THR 81 N 0.00 0.00 -0.01 2.57 2.02 -1.15 -3.32 112.91 113.02 1uwo h THR 81 Ca 0.17 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1uwo h THR 81 Cb 1.59 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1uwo h THR 81 CO -0.00 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.84 1uwo h THR 82 N -0.12 1.56 -1.63 3.16 1.03 -0.60 -3.12 112.91 113.19 1uwo h THR 82 Ca 0.00 -1.70 0.48 0.00 -0.01 0.00 0.00 66.41 65.18 1uwo h THR 82 Cb 0.00 2.69 -0.08 0.00 -1.07 0.00 0.00 68.15 69.69 1uwo h THR 82 CO 0.00 0.45 1.15 0.00 -0.01 0.00 0.00 175.52 177.11 1uwo n ALA 83 N -2.47 1.57 -0.06 0.00 0.00 0.58 0.16 120.51 120.29 1uwo n ALA 83 Ca -0.09 0.60 -0.03 0.00 0.00 0.00 0.00 53.44 53.92 1uwo n ALA 83 Cb 0.38 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.00 -1.57 -0.50 0.00 6.17 -0.24 0.72 115.15 118.74 1uwo h HIS 85 Ca -0.01 0.08 0.09 0.00 0.71 0.00 0.00 60.37 61.24 1uwo h HIS 85 Cb 0.21 0.74 -0.07 0.00 2.52 0.00 0.00 27.41 30.81 1uwo h HIS 85 CO 0.02 -0.43 0.09 0.93 0.71 0.00 0.00 177.93 179.26 1uwo h GLU 86 N -0.31 0.22 -1.04 5.26 5.08 -1.44 0.39 114.58 122.74 1uwo h GLU 86 Ca 0.08 -0.01 0.29 0.00 -1.00 0.00 0.00 59.36 58.72 1uwo h GLU 86 Cb 0.51 -0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.59 1uwo h GLU 86 CO -0.58 0.15 0.62 0.35 -1.00 0.00 0.00 179.01 178.55 1uwo h PHE 87 N 0.23 0.88 0.32 4.33 3.57 -0.53 0.52 116.94 126.26 1uwo h PHE 87 Ca 0.25 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 1uwo h PHE 87 Cb 0.34 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1uwo h PHE 87 CO -0.23 -0.05 -0.16 0.35 -2.23 0.00 0.00 178.31 175.99 1uwo h PHE 88 N 0.41 -0.40 -3.36 0.41 3.57 0.26 -3.44 116.94 114.39 1uwo h PHE 88 Ca 0.68 -0.01 -0.44 0.00 3.53 0.00 0.00 57.97 61.74 1uwo h PHE 88 Cb 1.55 0.13 0.20 0.00 2.79 0.00 0.00 35.95 40.63 1uwo h PHE 88 CO -0.01 -0.17 0.04 -1.21 -2.23 0.00 0.00 178.31 174.74 1uwo s GLU 89 N -5.56 -0.75 0.47 1.11 2.02 0.17 -4.76 118.70 111.40 1uwo s GLU 89 Ca -0.15 0.72 0.00 0.00 0.02 0.00 0.00 54.97 55.56 1uwo s GLU 89 Cb 0.04 -1.58 0.00 0.00 0.10 0.00 0.00 34.13 32.68 1uwo s GLU 89 CO 0.61 -3.58 0.00 0.72 0.02 0.00 0.00 175.26 173.03 1uwo n HIS 90 N -4.80 -4.57 1.22 1.61 8.25 -1.26 -4.96 115.22 110.71 1uwo n HIS 90 Ca 0.03 2.41 0.13 0.00 -0.26 0.00 0.00 57.72 60.03 1uwo n HIS 90 Cb 0.55 -3.60 0.29 0.00 1.12 0.00 0.00 29.99 28.35 1uwo n HIS 90 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37