#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 -0.48 -1.46 4.71 -1.26 -1.83 120.64 120.32 1uwo n GLU 2 Ca 0.00 0.35 0.43 0.00 -0.01 0.00 0.00 57.16 57.93 1uwo n GLU 2 Cb 0.00 -1.17 0.77 0.00 -1.01 0.00 0.00 31.44 30.03 1uwo n GLU 2 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1uwo h LEU 3 N 0.00 0.00 0.21 -4.62 3.38 -2.06 0.28 115.31 112.49 1uwo h LEU 3 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1uwo h LEU 3 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1uwo h LEU 3 CO 0.00 0.00 -0.10 -0.08 0.09 0.00 0.00 178.44 178.35 1uwo h GLU 4 N 0.00 -0.27 0.00 1.13 4.81 -1.99 -2.37 114.58 115.90 1uwo h GLU 4 Ca 0.72 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.95 1uwo h GLU 4 Cb 2.92 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 32.36 1uwo h GLU 4 CO -0.01 0.03 -0.07 0.87 -0.73 0.00 0.00 179.01 179.10 1uwo h LYS 5 N -0.56 0.00 0.00 1.92 1.57 0.29 -0.57 116.57 119.22 1uwo h LYS 5 Ca -0.03 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1uwo h LYS 5 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1uwo h LYS 5 CO 0.05 0.07 -0.29 0.00 -0.57 0.00 0.00 179.45 178.71 1uwo h ALA 6 N 1.93 0.97 0.00 3.86 0.00 -1.01 -1.99 119.26 123.02 1uwo h ALA 6 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1uwo h ALA 6 Cb 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1uwo h ALA 6 CO 0.01 0.36 -0.07 1.98 0.00 0.00 0.00 179.25 181.52 1uwo h MET 7 N 0.00 0.00 0.00 0.00 1.85 -0.60 -2.60 114.93 113.59 1uwo h MET 7 Ca -0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1uwo h MET 7 Cb 0.87 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.90 1uwo h MET 7 CO 0.04 0.42 -0.02 -0.24 -0.40 0.00 0.00 176.91 176.70 1uwo h VAL 8 N -1.00 0.45 0.04 -5.77 3.04 -1.55 -2.21 116.25 109.25 1uwo h VAL 8 Ca -0.01 -0.10 -0.00 0.00 -1.01 0.00 0.00 66.70 65.57 1uwo h VAL 8 Cb 0.45 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1uwo h VAL 8 CO -0.01 0.02 -0.02 0.00 -1.01 0.00 0.00 177.57 176.55 1uwo h ALA 9 N 1.98 -0.14 -0.80 3.17 0.00 -1.44 -2.44 119.26 119.58 1uwo h ALA 9 Ca -0.00 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.06 1uwo h ALA 9 Cb 0.07 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.73 1uwo h ALA 9 CO 0.00 -0.14 -0.22 -0.07 0.00 0.00 0.00 179.25 178.83 1uwo h LEU 10 N -0.35 -0.80 -0.51 0.00 -0.00 -1.42 0.39 115.31 112.62 1uwo h LEU 10 Ca -0.01 0.24 0.04 0.00 -0.00 0.00 0.00 57.88 58.16 1uwo h LEU 10 Cb 0.05 0.51 -0.04 0.00 -0.00 0.00 0.00 40.66 41.18 1uwo h LEU 10 CO 0.01 -0.27 0.27 -0.29 -0.00 0.00 0.00 178.44 178.16 1uwo h ILE 11 N -0.01 0.98 -0.17 1.22 2.10 -1.53 0.14 117.51 120.24 1uwo h ILE 11 Ca 0.38 -0.18 0.05 0.00 1.08 0.00 0.00 64.86 66.18 1uwo h ILE 11 Cb 0.59 0.41 -0.01 0.00 -1.09 0.00 0.00 36.82 36.72 1uwo h ILE 11 CO -0.83 0.10 0.18 0.44 -1.08 0.00 0.00 178.15 176.96 1uwo h ASP 12 N 0.53 0.00 0.77 2.19 3.32 0.25 -0.32 116.42 123.16 1uwo h ASP 12 Ca 0.22 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.05 1uwo h ASP 12 Cb 0.11 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1uwo h ASP 12 CO -0.14 0.00 -1.35 0.58 -1.72 0.00 0.00 179.24 176.61 1uwo h VAL 13 N 0.00 0.91 0.01 -1.35 2.07 -0.05 -1.95 116.25 115.88 1uwo h VAL 13 Ca 0.08 -2.57 -0.00 0.00 0.82 0.00 0.00 66.70 65.03 1uwo h VAL 13 Cb 0.45 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1uwo h VAL 13 CO -0.00 0.52 -0.01 0.15 0.02 0.00 0.00 177.57 178.25 1uwo h PHE 14 N 0.00 -0.02 0.04 1.57 3.57 0.06 -0.79 116.94 121.37 1uwo h PHE 14 Ca -0.16 -0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.11 1uwo h PHE 14 Cb 1.77 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.50 1uwo h PHE 14 CO 0.00 0.30 -1.06 0.45 -2.23 0.00 0.00 178.31 175.77 1uwo h HIS 15 N -0.33 0.20 0.31 0.41 3.86 -1.62 -2.32 115.15 115.66 1uwo h HIS 15 Ca -0.00 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.05 1uwo h HIS 15 Cb 0.32 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1uwo h HIS 15 CO 0.03 1.08 -0.15 0.37 0.86 0.00 0.00 177.93 180.13 1uwo h GLN 16 N 0.04 -0.40 -0.58 2.45 4.15 -1.34 0.45 115.11 119.88 1uwo h GLN 16 Ca -0.06 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.44 1uwo h GLN 16 Cb 1.79 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 29.52 1uwo h GLN 16 CO 0.15 -0.27 0.31 1.88 -1.93 0.00 0.00 178.83 178.97 1uwo h TYR 17 N -0.55 0.56 0.00 3.99 -1.99 -1.29 0.66 116.97 118.35 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 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 38.88 1uwo h TYR 17 CO 0.09 0.27 -0.02 0.77 -0.00 0.00 0.00 178.16 179.26 1uwo h SER 18 N 0.58 0.00 0.54 3.88 0.02 -1.46 -1.76 113.55 115.35 1uwo h SER 18 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1uwo h SER 18 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1uwo h SER 18 CO -0.17 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.15 1uwo n GLY 19 N -0.24 -1.08 0.15 -3.77 0.00 0.16 -3.37 105.19 97.05 1uwo n GLY 19 Ca -0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.34 -7.19 1.61 3.08 -1.24 -3.46 114.38 106.84 1uwo h ARG 20 Ca 0.00 0.02 -0.45 0.00 0.07 0.00 0.00 59.98 59.62 1uwo h ARG 20 Cb 0.27 0.08 0.07 0.00 0.08 0.00 0.00 29.97 30.47 1uwo h ARG 20 CO 0.00 -0.23 0.16 -1.21 -1.07 0.00 0.00 179.97 177.63 1uwo s GLU 21 N -2.86 2.27 -0.87 0.04 8.01 -1.24 -4.91 118.70 119.14 1uwo s GLU 21 Ca -0.05 -0.39 -0.26 0.00 0.01 0.00 0.00 54.97 54.28 1uwo s GLU 21 Cb 0.01 -2.25 -0.14 0.00 -4.31 0.00 0.00 34.13 27.44 1uwo s GLU 21 CO 0.15 -1.11 2.27 0.20 0.01 0.00 0.00 175.26 176.78 1uwo s GLY 22 N -4.50 -0.70 0.00 -1.39 0.00 -1.26 -4.46 107.32 95.02 1uwo s GLY 22 Ca 0.59 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1uwo s GLY 22 CO 0.43 4.11 0.00 2.09 0.00 0.00 0.00 173.10 179.73 1uwo n ASP 23 N 18.03 0.00 -1.69 1.64 5.68 -1.25 -5.02 116.55 133.94 1uwo n ASP 23 Ca 0.45 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.61 1uwo n ASP 23 Cb 0.44 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.48 1uwo n ASP 23 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1uwo n LYS 24 N 0.00 1.62 -0.31 0.11 4.81 -1.22 -3.64 118.16 119.54 1uwo n LYS 24 Ca 0.00 -1.33 0.00 0.00 -0.87 0.00 0.00 58.31 56.11 1uwo n LYS 24 Cb 0.00 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.53 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 0.15 0.00 -3.67 5.64 8.25 -1.26 -4.64 115.22 119.69 1uwo n HIS 25 Ca 0.26 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.70 1uwo n HIS 25 Cb 0.78 0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.98 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 0.00 0.82 0.13 -0.41 -2.85 -1.24 -4.54 119.74 111.66 1uwo s LYS 26 Ca 0.00 -0.44 0.11 0.00 -1.00 0.00 0.00 55.97 54.64 1uwo s LYS 26 Cb 0.00 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 1uwo s LYS 26 CO 0.00 -0.38 -0.27 -0.51 0.10 0.00 0.00 175.35 174.29 1uwo s LEU 27 N -2.86 2.32 -0.64 2.77 1.43 -1.24 -4.40 118.68 116.07 1uwo s LEU 27 Ca 0.12 -0.75 -0.10 0.00 -1.03 0.00 0.00 54.13 52.37 1uwo s LEU 27 Cb 0.01 -1.22 0.16 0.00 0.03 0.00 0.00 46.19 45.17 1uwo s LEU 27 CO -0.01 0.18 0.53 -0.75 0.23 0.00 0.00 176.35 176.52 1uwo s LYS 28 N -2.06 2.92 0.00 1.70 2.20 -1.26 -1.74 119.74 121.51 1uwo s LYS 28 Ca 0.14 -2.19 0.00 0.00 -0.36 0.00 0.00 55.97 53.56 1uwo s LYS 28 Cb -0.10 -4.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.14 1uwo s LYS 28 CO 0.06 -1.24 0.00 1.17 -0.36 0.00 0.00 175.35 174.98 1uwo n LYS 29 N 4.27 0.00 -0.28 4.03 4.81 -1.23 -1.29 118.16 128.46 1uwo n LYS 29 Ca 0.03 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.55 1uwo n LYS 29 Cb 0.42 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.67 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 -0.32 -0.82 3.14 0.02 -1.96 0.33 113.55 113.95 1uwo h SER 30 Ca 0.00 0.21 0.20 0.00 -0.84 0.00 0.00 61.79 61.36 1uwo h SER 30 Cb 0.00 0.36 -0.14 0.00 0.14 0.00 0.00 62.40 62.76 1uwo h SER 30 CO 0.00 -0.20 0.05 -0.33 -1.14 0.00 0.00 176.83 175.21 1uwo h GLU 31 N 0.11 0.11 0.89 3.45 3.07 -1.54 -0.84 114.58 119.82 1uwo h GLU 31 Ca 0.47 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.28 1uwo h GLU 31 Cb 0.87 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.76 1uwo h GLU 31 CO -0.71 0.07 -0.43 -0.07 -1.40 0.00 0.00 179.01 176.48 1uwo h LEU 32 N 0.11 -1.01 -1.28 1.33 4.07 -0.58 -2.27 115.31 115.69 1uwo h LEU 32 Ca 0.47 0.03 0.45 0.00 0.08 0.00 0.00 57.88 58.91 1uwo h LEU 32 Cb 0.86 0.26 -0.14 0.00 1.08 0.00 0.00 40.66 42.73 1uwo h LEU 32 CO -0.70 -0.70 0.81 0.29 -1.08 0.00 0.00 178.44 177.06 1uwo n LYS 33 N -5.30 -0.04 0.25 1.13 4.76 -0.41 -0.20 118.16 118.36 1uwo n LYS 33 Ca -0.15 1.21 -0.10 0.00 -2.87 0.00 0.00 58.31 56.40 1uwo n LYS 33 Cb 0.47 -2.36 -0.05 0.00 -1.84 0.00 0.00 35.03 31.25 1uwo n LYS 33 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1uwo h GLU 34 N 0.00 -0.65 -0.92 1.97 3.07 -0.77 -1.77 114.58 115.52 1uwo h GLU 34 Ca 0.84 0.04 0.17 0.00 -0.50 0.00 0.00 59.36 59.91 1uwo h GLU 34 Cb 2.66 0.15 -0.17 0.00 -0.84 0.00 0.00 28.75 30.55 1uwo h GLU 34 CO -0.47 -0.43 -0.29 1.25 -1.40 0.00 0.00 179.01 177.67 1uwo h LEU 35 N -1.03 -1.05 0.09 1.33 6.46 -0.08 0.82 115.31 121.85 1uwo h LEU 35 Ca -0.07 0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1uwo h LEU 35 Cb 0.52 0.63 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 1uwo h LEU 35 CO 0.11 -0.30 -0.04 0.40 -0.62 0.00 0.00 178.44 177.99 1uwo h ILE 36 N -0.01 0.93 -0.06 4.05 2.04 -1.36 0.74 117.51 123.83 1uwo h ILE 36 Ca 0.40 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.19 1uwo h ILE 36 Cb 0.64 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1uwo h ILE 36 CO -0.94 0.02 0.00 0.59 0.00 0.00 0.00 178.15 177.81 1uwo n ASN 37 N -5.13 0.57 -0.11 1.72 5.03 0.27 -2.16 115.26 115.44 1uwo n ASN 37 Ca -0.08 -2.02 0.00 0.00 0.87 0.00 0.00 54.58 53.35 1uwo n ASN 37 Cb 0.09 -0.14 0.00 0.00 -1.02 0.00 0.00 39.78 38.71 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 -0.23 0.00 0.00 6.41 2.85 0.26 -4.66 115.26 119.89 1uwo n ASN 38 Ca 0.02 -1.21 0.00 0.00 -0.11 0.00 0.00 54.58 53.28 1uwo n ASN 38 Cb 0.11 -0.04 0.00 0.00 1.24 0.00 0.00 39.78 41.09 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 0.00 0.00 0.00 1.20 -0.58 0.25 -4.91 120.64 116.60 1uwo n GLU 39 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1uwo n GLU 39 Cb 0.54 -0.21 0.00 0.00 -0.57 0.00 0.00 31.44 31.20 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 -1.07 0.00 0.00 -4.62 7.99 -0.92 -4.96 117.00 113.42 1uwo n LEU 40 Ca 0.00 0.77 0.00 0.00 -0.01 0.00 0.00 56.01 56.77 1uwo n LEU 40 Cb 0.00 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.04 1uwo n LEU 40 CO 0.00 -0.27 0.00 -1.54 -1.51 0.00 0.00 177.39 174.07 1uwo n SER 41 N -1.91 0.00 0.00 -1.43 3.41 -1.26 -4.95 113.62 107.47 1uwo n SER 41 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1uwo n SER 41 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1uwo n SER 41 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1uwo n HIS 42 N 0.00 0.00 -0.45 7.33 8.25 -1.26 -4.83 115.22 124.27 1uwo n HIS 42 Ca 0.00 0.00 0.37 0.00 -0.26 0.00 0.00 57.72 57.83 1uwo n HIS 42 Cb 0.00 0.00 0.66 0.00 1.12 0.00 0.00 29.99 31.77 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 0.41 -1.91 4.41 -1.00 -2.00 -3.16 116.94 113.69 1uwo h PHE 43 Ca 0.00 0.02 -0.42 0.00 2.81 0.00 0.00 57.97 60.38 1uwo h PHE 43 Cb 0.00 -0.10 -0.31 0.00 3.61 0.00 0.00 35.95 39.15 1uwo h PHE 43 CO 0.00 -0.11 -0.77 -0.48 -1.61 0.00 0.00 178.31 175.34 1uwo s LEU 44 N -9.14 0.27 -0.06 1.54 2.34 -1.26 -5.08 118.68 107.29 1uwo s LEU 44 Ca -0.07 -2.32 0.05 0.00 0.06 0.00 0.00 54.13 51.85 1uwo s LEU 44 Cb 0.28 0.43 -0.02 0.00 -0.56 0.00 0.00 46.19 46.32 1uwo s LEU 44 CO 0.83 -0.17 -0.21 -1.83 -1.06 0.00 0.00 176.35 173.91 1uwo s GLU 45 N 0.65 2.57 0.00 1.48 4.04 -1.20 -4.53 118.70 121.71 1uwo s GLU 45 Ca 0.28 -0.83 0.00 0.00 0.04 0.00 0.00 54.97 54.45 1uwo s GLU 45 Cb -0.03 -2.25 0.00 0.00 0.02 0.00 0.00 34.13 31.87 1uwo s GLU 45 CO -0.11 0.45 0.00 -1.91 -1.84 0.00 0.00 175.26 171.85 1uwo n GLU 46 N 2.77 0.00 -2.72 -4.83 2.13 -1.26 -4.52 120.64 112.21 1uwo n GLU 46 Ca -0.17 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.62 1uwo n GLU 46 Cb 0.52 -2.32 -0.03 0.00 0.27 0.00 0.00 31.44 29.88 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 -2.00 -8.02 -0.46 6.31 2.08 -1.26 -4.62 119.36 111.39 1uwo n ILE 47 Ca 0.00 1.68 0.38 0.00 0.56 0.00 0.00 62.75 65.38 1uwo n ILE 47 Cb 0.00 -4.79 0.69 0.00 -0.75 0.00 0.00 39.64 34.79 1uwo n ILE 47 CO 0.00 0.00 0.00 0.07 0.56 0.00 0.00 176.55 177.18 1uwo h LYS 48 N 4.49 0.09 0.00 0.38 -0.00 -1.95 -3.34 116.57 116.23 1uwo h LYS 48 Ca -0.30 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.65 60.30 1uwo h LYS 48 Cb 0.67 -0.02 -0.12 0.00 -0.00 0.00 0.00 32.23 32.75 1uwo h LYS 48 CO 0.01 0.06 0.06 -1.91 -0.00 0.00 0.00 179.45 177.66 1uwo n GLU 49 N -4.39 0.01 -4.01 0.07 2.13 -1.26 -4.98 120.64 108.20 1uwo n GLU 49 Ca 0.34 -0.51 -0.37 0.00 0.66 0.00 0.00 57.16 57.28 1uwo n GLU 49 Cb 1.44 -0.01 -0.00 0.00 0.27 0.00 0.00 31.44 33.13 1uwo n GLU 49 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1uwo n GLN 50 N 1.32 -1.09 -0.00 5.31 6.02 -1.26 -4.90 117.38 122.79 1uwo n GLN 50 Ca -0.01 0.22 -0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1uwo n GLN 50 Cb 0.73 -3.41 -0.00 0.00 1.02 0.00 0.00 30.24 28.57 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 -4.67 0.00 0.03 -1.09 4.07 -1.26 -3.90 120.64 113.82 1uwo n GLU 51 Ca -0.18 0.25 0.12 0.00 -0.06 0.00 0.00 57.16 57.29 1uwo n GLU 51 Cb 0.61 -0.75 0.22 0.00 -0.06 0.00 0.00 31.44 31.46 1uwo n GLU 51 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1uwo n VAL 52 N -2.26 0.16 0.10 6.31 0.31 -1.26 -3.14 118.33 118.55 1uwo n VAL 52 Ca -0.00 -0.13 -0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1uwo n VAL 52 Cb 0.00 0.06 -0.03 0.00 -0.91 0.00 0.00 33.84 32.96 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 0.94 0.11 2.52 2.07 -1.96 -0.77 116.25 119.16 1uwo h VAL 53 Ca 0.00 -2.41 -0.33 0.00 0.82 0.00 0.00 66.70 64.78 1uwo h VAL 53 Cb 0.62 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1uwo h VAL 53 CO 0.00 0.54 -1.74 -0.78 0.02 0.00 0.00 177.57 175.60 1uwo h ASP 54 N 0.00 0.35 0.07 0.57 3.58 -1.68 -2.81 116.42 116.51 1uwo h ASP 54 Ca -0.05 -0.62 -0.09 0.00 0.42 0.00 0.00 57.03 56.69 1uwo h ASP 54 Cb 1.52 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 42.47 1uwo h ASP 54 CO 0.07 1.54 -0.40 0.11 -2.88 0.00 0.00 179.24 177.68 1uwo h LYS 55 N 0.06 0.15 -0.54 0.28 1.79 -1.64 -3.28 116.57 113.39 1uwo h LYS 55 Ca -0.32 -0.25 -0.03 0.00 -2.18 0.00 0.00 60.65 57.87 1uwo h LYS 55 Cb 2.03 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 32.75 1uwo h LYS 55 CO 0.12 1.12 0.23 -0.24 -1.08 0.00 0.00 179.45 179.60 1uwo h VAL 56 N -0.68 1.21 -0.93 0.50 3.04 -1.31 -2.44 116.25 115.64 1uwo h VAL 56 Ca -0.07 -0.65 0.26 0.00 -1.01 0.00 0.00 66.70 65.23 1uwo h VAL 56 Cb 1.31 0.63 -0.14 0.00 -2.01 0.00 0.00 31.29 31.08 1uwo h VAL 56 CO 0.08 0.25 0.40 0.24 -1.01 0.00 0.00 177.57 177.53 1uwo h MET 57 N 0.73 0.31 0.65 4.17 2.86 -1.60 0.19 114.93 122.24 1uwo h MET 57 Ca 0.18 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1uwo h MET 57 Cb 0.17 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1uwo h MET 57 CO -0.02 0.20 -0.38 0.93 1.06 0.00 0.00 176.91 178.70 1uwo h GLU 58 N 0.32 -0.93 0.00 1.72 5.08 -1.49 -0.66 114.58 118.61 1uwo h GLU 58 Ca 0.62 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1uwo h GLU 58 Cb 1.28 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1uwo h GLU 58 CO -0.60 -0.62 0.00 -2.37 -1.00 0.00 0.00 179.01 174.42 1uwo n THR 59 N -5.53 1.23 0.06 1.13 5.66 -0.16 -1.41 114.28 115.27 1uwo n THR 59 Ca -0.13 0.50 -0.07 0.00 -3.05 0.00 0.00 64.05 61.30 1uwo n THR 59 Cb 0.41 -1.45 -0.11 0.00 -1.55 0.00 0.00 70.33 67.63 1uwo n THR 59 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1uwo h LEU 60 N 0.00 0.00 -8.41 1.09 4.07 0.81 -3.42 115.31 109.46 1uwo h LEU 60 Ca 0.00 -0.00 -0.64 0.00 0.08 0.00 0.00 57.88 57.31 1uwo h LEU 60 Cb 0.12 -0.00 -0.15 0.00 1.08 0.00 0.00 40.66 41.71 1uwo h LEU 60 CO 0.00 0.99 0.34 -1.81 -1.08 0.00 0.00 178.44 176.89 1uwo s ASP 61 N -6.72 6.27 0.00 -0.43 1.01 -0.50 -4.12 116.67 112.18 1uwo s ASP 61 Ca 0.01 -0.69 0.24 0.00 0.71 0.00 0.00 52.55 52.82 1uwo s ASP 61 Cb 0.10 -2.37 0.25 0.00 1.01 0.00 0.00 42.92 41.91 1uwo s ASP 61 CO 0.82 -1.12 1.30 -3.20 0.21 0.00 0.00 175.17 173.17 1uwo n ASN 62 N 6.95 3.11 0.00 0.27 5.15 -1.26 -4.31 115.26 125.17 1uwo n ASN 62 Ca -0.03 -2.00 0.00 0.00 -0.60 0.00 0.00 54.58 51.96 1uwo n ASN 62 Cb 0.46 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 1uwo n ASN 62 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1uwo n ASP 63 N 1.38 4.77 -1.07 1.20 9.92 -1.26 -5.10 116.55 126.40 1uwo n ASP 63 Ca 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1uwo n ASP 63 Cb 0.60 0.84 0.00 0.00 -0.64 0.00 0.00 41.12 41.92 1uwo n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1uwo n GLY 64 N 2.51 -2.03 0.00 0.44 0.00 -1.26 -5.02 105.19 99.84 1uwo n GLY 64 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 8.00 -1.26 -4.94 116.55 119.96 1uwo n ASP 65 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1uwo n ASP 65 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1uwo n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uwo n GLY 66 N 0.00 1.72 3.61 0.44 0.00 -1.26 -5.02 105.19 104.68 1uwo n GLY 66 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.48 3.79 0.70 1.61 0.41 -1.25 -3.58 118.70 119.89 1uwo s GLU 67 Ca 0.00 0.70 -0.14 0.00 -0.41 0.00 0.00 54.97 55.13 1uwo s GLU 67 Cb 0.00 -3.88 0.02 0.00 -1.78 0.00 0.00 34.13 28.49 1uwo s GLU 67 CO 0.00 -1.30 1.11 0.00 -0.49 0.00 0.00 175.26 174.58 1uwo s ASP 69 N -2.83 4.05 0.06 0.00 1.11 -1.26 -3.64 116.67 114.16 1uwo s ASP 69 Ca 0.65 -1.37 -0.25 0.00 0.18 0.00 0.00 52.55 51.76 1uwo s ASP 69 Cb -0.20 -0.22 -0.17 0.00 1.07 0.00 0.00 42.92 43.41 1uwo s ASP 69 CO 0.46 -0.56 1.57 0.15 1.18 0.00 0.00 175.17 177.97 1uwo h PHE 70 N 1.60 -0.17 -0.59 4.23 3.04 -1.97 0.34 116.94 123.42 1uwo h PHE 70 Ca -0.44 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 61.62 1uwo h PHE 70 Cb 1.26 0.06 -0.03 0.00 2.56 0.00 0.00 35.95 39.79 1uwo h PHE 70 CO 0.87 0.01 0.40 1.96 -2.02 0.00 0.00 178.31 179.52 1uwo h GLN 71 N -0.32 0.33 0.00 1.11 4.20 -1.97 0.26 115.11 118.72 1uwo h GLN 71 Ca -0.02 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1uwo h GLN 71 Cb 0.25 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1uwo h GLN 71 CO 0.03 0.22 -0.38 0.93 -0.67 0.00 0.00 178.83 178.96 1uwo h GLU 72 N 0.34 0.00 0.54 1.46 4.39 -1.70 -2.70 114.58 116.91 1uwo h GLU 72 Ca 0.27 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.95 1uwo h GLU 72 Cb 0.62 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1uwo h GLU 72 CO -0.07 0.19 -0.26 0.35 -1.16 0.00 0.00 179.01 178.06 1uwo h PHE 73 N 0.00 -0.67 -0.15 4.33 3.57 0.32 0.15 116.94 124.49 1uwo h PHE 73 Ca -0.01 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1uwo h PHE 73 Cb 1.17 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 1uwo h PHE 73 CO 0.00 -0.35 0.04 1.98 -2.23 0.00 0.00 178.31 177.75 1uwo h MET 74 N -1.07 0.24 -0.28 1.11 4.05 -1.56 -1.88 114.93 115.55 1uwo h MET 74 Ca -0.07 -0.05 0.08 0.00 -0.28 0.00 0.00 59.70 59.37 1uwo h MET 74 Cb 0.62 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 1uwo h MET 74 CO 0.12 0.38 0.21 0.00 0.23 0.00 0.00 176.91 177.85 1uwo h ALA 75 N 0.85 2.22 0.35 0.39 0.00 -1.53 -0.07 119.26 121.47 1uwo h ALA 75 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1uwo h ALA 75 Cb 0.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1uwo h ALA 75 CO -0.00 -0.35 -0.17 0.35 0.00 0.00 0.00 179.25 179.08 1uwo h PHE 76 N 0.00 -0.44 -0.10 0.00 3.57 0.13 -2.04 116.94 118.06 1uwo h PHE 76 Ca 0.13 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1uwo h PHE 76 Cb 0.55 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1uwo h PHE 76 CO 0.00 -0.27 0.25 0.28 -2.23 0.00 0.00 178.31 176.33 1uwo h VAL 77 N -0.51 0.17 -0.09 1.41 2.07 -1.16 -0.39 116.25 117.75 1uwo h VAL 77 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1uwo h VAL 77 Cb 0.36 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1uwo h VAL 77 CO 0.08 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.72 1uwo h ALA 78 N 1.60 0.11 0.07 1.67 0.00 -0.32 0.95 119.26 123.35 1uwo h ALA 78 Ca 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1uwo h ALA 78 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1uwo h ALA 78 CO -0.00 -0.40 -0.04 0.52 0.00 0.00 0.00 179.25 179.33 1uwo h MET 79 N 0.11 -0.10 -0.22 0.00 2.86 -0.64 -1.80 114.93 115.16 1uwo h MET 79 Ca 0.04 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.74 1uwo h MET 79 Cb -0.00 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1uwo h MET 79 CO -0.02 -0.06 0.67 0.28 1.06 0.00 0.00 176.91 178.83 1uwo h VAL 80 N -0.46 0.07 0.00 -2.22 2.07 -1.53 2.31 116.25 116.49 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 0.08 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1uwo h VAL 80 CO 0.02 0.00 -0.11 0.74 0.02 0.00 0.00 177.57 178.23 1uwo h THR 81 N 0.00 0.00 0.01 2.57 2.02 -0.82 -3.34 112.91 113.35 1uwo h THR 81 Ca 0.10 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 1uwo h THR 81 Cb 1.43 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1uwo h THR 81 CO -0.00 0.00 -0.00 0.74 0.37 0.00 0.00 175.52 176.63 1uwo h THR 82 N -0.64 1.23 -1.27 3.16 2.02 -0.38 -2.83 112.91 114.19 1uwo h THR 82 Ca 0.00 -1.89 0.40 0.00 0.77 0.00 0.00 66.41 65.69 1uwo h THR 82 Cb 0.11 2.30 -0.09 0.00 -1.74 0.00 0.00 68.15 68.74 1uwo h THR 82 CO 0.00 0.41 0.87 0.00 0.37 0.00 0.00 175.52 177.17 1uwo n ALA 83 N -2.66 1.24 -0.01 6.16 0.00 0.77 0.17 120.51 126.18 1uwo n ALA 83 Ca -0.07 0.60 -0.22 0.00 0.00 0.00 0.00 53.44 53.75 1uwo n ALA 83 Cb 0.33 -0.84 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.13 -1.09 0.00 0.00 3.86 0.20 0.26 115.15 118.25 1uwo h HIS 85 Ca -0.40 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 1uwo h HIS 85 Cb 1.90 0.49 0.00 0.00 1.06 0.00 0.00 27.41 30.86 1uwo h HIS 85 CO 0.09 -0.46 0.00 1.49 0.86 0.00 0.00 177.93 179.91 1uwo h GLU 86 N -0.48 0.00 -0.74 2.45 4.81 -1.48 -3.08 114.58 116.06 1uwo h GLU 86 Ca 0.08 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.47 1uwo h GLU 86 Cb 0.61 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.85 1uwo h GLU 86 CO -0.36 0.00 -0.07 0.35 -0.73 0.00 0.00 179.01 178.19 1uwo h PHE 87 N 0.00 -0.19 -0.63 0.92 3.57 -0.42 0.24 116.94 120.42 1uwo h PHE 87 Ca 0.00 0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.69 1uwo h PHE 87 Cb 0.36 0.20 -0.11 0.00 2.79 0.00 0.00 35.95 39.19 1uwo h PHE 87 CO 0.00 -0.27 -0.01 0.74 -2.23 0.00 0.00 178.31 176.54 1uwo h PHE 88 N 0.05 -0.06 -3.78 0.41 0.04 -1.57 -3.48 116.94 108.57 1uwo h PHE 88 Ca 0.38 0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.20 1uwo h PHE 88 Cb 0.64 0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.92 1uwo h PHE 88 CO -0.49 -0.18 -0.97 0.39 -0.60 0.00 0.00 178.31 176.46 1uwo n GLU 89 N -5.30 -4.24 -1.53 1.51 -0.58 0.84 -4.26 120.64 107.08 1uwo n GLU 89 Ca 0.09 3.27 -0.24 0.00 -0.42 0.00 0.00 57.16 59.86 1uwo n GLU 89 Cb 0.37 -4.03 -0.12 0.00 -0.57 0.00 0.00 31.44 27.09 1uwo n GLU 89 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 1uwo n HIS 90 N -2.37 0.82 0.27 -0.32 1.44 -1.26 -5.14 115.22 108.65 1uwo n HIS 90 Ca 0.00 0.07 0.03 0.00 -2.01 0.00 0.00 57.72 55.81 1uwo n HIS 90 Cb 0.42 -2.03 0.03 0.00 0.12 0.00 0.00 29.99 28.53 1uwo n HIS 90 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62