#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwo s ASP 2 N 0.00 7.02 0.24 7.28 -1.08 -1.26 -4.81 116.67 124.06 1bwo s ASP 2 Ca 0.00 2.18 -0.05 0.00 -0.52 0.00 0.00 52.55 54.17 1bwo s ASP 2 Cb 0.00 -2.59 0.25 0.00 -1.46 0.00 0.00 42.92 39.12 1bwo s ASP 2 CO 0.00 -0.47 1.76 0.00 0.52 0.00 0.00 175.17 176.98 1bwo h GLY 4 N 1.03 0.00 0.78 0.00 0.00 -1.99 0.23 103.07 103.12 1bwo h GLY 4 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.43 1bwo h GLY 4 CO 0.00 0.00 -0.30 0.84 0.00 0.00 0.00 176.54 177.08 1bwo h HIS 5 N 0.00 0.55 -0.60 5.60 6.17 -1.76 -1.84 115.15 123.28 1bwo h HIS 5 Ca -0.00 -0.21 0.03 0.00 0.71 0.00 0.00 60.37 60.90 1bwo h HIS 5 Cb 0.55 -0.10 -0.04 0.00 2.52 0.00 0.00 27.41 30.34 1bwo h HIS 5 CO 0.00 0.92 0.36 0.28 0.71 0.00 0.00 177.93 180.20 1bwo h VAL 6 N 0.02 1.05 -0.85 5.26 2.07 -0.73 -1.96 116.25 121.11 1bwo h VAL 6 Ca -0.00 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.34 1bwo h VAL 6 Cb 0.91 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1bwo h VAL 6 CO 0.07 0.13 0.53 -0.78 0.02 0.00 0.00 177.57 177.53 1bwo h ASP 7 N 0.69 0.83 -0.56 0.57 3.58 -0.88 -2.21 116.42 118.45 1bwo h ASP 7 Ca 0.24 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.69 1bwo h ASP 7 Cb 0.05 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 1bwo h ASP 7 CO -0.11 0.53 0.26 0.28 -2.88 0.00 0.00 179.24 177.31 1bwo h SER 8 N 0.96 0.75 -0.35 2.28 0.02 -0.62 -0.54 113.55 116.05 1bwo h SER 8 Ca 0.37 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1bwo h SER 8 Cb 0.17 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1bwo h SER 8 CO -0.17 0.69 0.17 -0.07 -1.14 0.00 0.00 176.83 176.30 1bwo h LEU 9 N 0.77 0.45 -0.45 5.07 3.38 -0.88 -3.18 115.31 120.47 1bwo h LEU 9 Ca 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1bwo h LEU 9 Cb 0.15 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1bwo h LEU 9 CO -0.02 0.45 -0.31 1.33 0.09 0.00 0.00 178.44 179.98 1bwo n VAL 10 N -4.74 0.00 -0.28 1.22 0.24 -0.88 -4.34 118.33 109.56 1bwo n VAL 10 Ca -0.01 -0.12 0.08 0.00 -2.04 0.00 0.00 64.34 62.26 1bwo n VAL 10 Cb 0.11 0.43 0.21 0.00 -1.47 0.00 0.00 33.84 33.11 1bwo n VAL 10 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1bwo h ARG 11 N 1.09 0.13 0.00 7.34 2.43 -1.07 0.11 114.38 124.41 1bwo h ARG 11 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1bwo h ARG 11 Cb 0.52 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1bwo h ARG 11 CO 0.00 0.08 0.00 -0.35 -1.51 0.00 0.00 179.97 178.19 1bwo n PRO 12 N -5.32 0.14 -0.06 0.20 -0.04 -1.26 -1.71 135.00 126.94 1bwo n PRO 12 Ca 0.17 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 1bwo n PRO 12 Cb 0.56 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.85 1bwo n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bwo h LEU 14 N 3.18 -0.51 -1.57 0.00 6.46 -1.48 -2.42 115.31 118.97 1bwo h LEU 14 Ca 0.00 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1bwo h LEU 14 Cb 0.69 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 1bwo h LEU 14 CO 0.00 -0.28 0.26 0.77 -0.62 0.00 0.00 178.44 178.57 1bwo h SER 15 N -0.40 0.48 -0.22 1.25 4.64 -1.85 -2.39 113.55 115.06 1bwo h SER 15 Ca 0.01 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 1bwo h SER 15 Cb 0.39 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1bwo h SER 15 CO -0.06 0.36 -0.09 0.22 -0.87 0.00 0.00 176.83 176.39 1bwo h TYR 16 N 0.56 0.51 0.00 4.77 3.20 -1.74 0.25 116.97 124.51 1bwo h TYR 16 Ca 0.15 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1bwo h TYR 16 Cb -0.04 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.11 1bwo h TYR 16 CO 0.00 0.71 0.00 1.33 -1.64 0.00 0.00 178.16 178.56 1bwo n VAL 17 N -4.55 0.29 -0.92 1.81 0.24 -0.93 -2.29 118.33 111.97 1bwo n VAL 17 Ca -0.04 0.07 0.08 0.00 -2.04 0.00 0.00 64.34 62.40 1bwo n VAL 17 Cb 0.32 -0.72 0.36 0.00 -1.47 0.00 0.00 33.84 32.33 1bwo n VAL 17 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bwo n GLN 18 N -1.24 4.26 -0.02 7.34 6.02 -0.93 0.19 117.38 133.00 1bwo n GLN 18 Ca 0.11 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 54.04 1bwo n GLN 18 Cb 0.15 -2.12 0.00 0.00 1.02 0.00 0.00 30.24 29.29 1bwo n GLN 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bwo n GLY 19 N 0.28 0.30 3.81 1.08 0.00 -0.97 -4.85 105.19 104.84 1bwo n GLY 19 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 1bwo n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwo s GLY 20 N -1.83 1.65 0.50 -0.02 0.00 0.06 -5.00 107.32 102.69 1bwo s GLY 20 Ca 0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 44.72 43.66 1bwo s GLY 20 CO 0.00 -0.18 0.99 2.56 0.00 0.00 0.00 173.10 176.47 1bwo s PRO 21 N -5.56 3.93 0.00 2.90 0.04 -1.26 -4.47 135.00 130.57 1bwo s PRO 21 Ca 0.69 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1bwo s PRO 21 Cb -0.09 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1bwo s PRO 21 CO 0.53 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.69 1bwo n GLY 22 N -1.16 -0.58 3.81 0.56 0.00 -1.26 -4.49 105.19 102.07 1bwo n GLY 22 Ca 0.07 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 1bwo n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bwo s PRO 23 N -1.99 4.19 0.89 1.61 0.04 -1.26 -5.12 135.00 133.37 1bwo s PRO 23 Ca 0.00 1.20 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 1bwo s PRO 23 Cb 0.00 -2.24 0.13 0.00 0.04 0.00 0.00 34.50 32.43 1bwo s PRO 23 CO 0.00 -0.07 1.14 -1.54 0.04 0.00 0.00 177.00 176.57 1bwo s SER 24 N -2.06 3.68 0.26 6.66 1.04 -1.26 -4.88 113.70 117.14 1bwo s SER 24 Ca 0.62 0.93 -0.02 0.00 0.48 0.00 0.00 55.95 57.96 1bwo s SER 24 Cb -0.12 -1.50 0.34 0.00 0.10 0.00 0.00 66.02 64.85 1bwo s SER 24 CO 0.16 -2.44 1.75 1.23 0.98 0.00 0.00 173.24 174.92 1bwo h GLY 25 N -1.42 0.82 1.00 7.32 0.00 -1.99 -2.48 103.07 106.31 1bwo h GLY 25 Ca -0.50 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.28 1bwo h GLY 25 CO 0.63 0.52 0.41 1.46 0.00 0.00 0.00 176.54 179.55 1bwo h GLN 26 N 0.70 0.85 0.10 4.80 1.08 -1.94 0.87 115.11 121.58 1bwo h GLN 26 Ca 0.13 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1bwo h GLN 26 Cb 0.48 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1bwo h GLN 26 CO 0.02 0.58 -0.05 0.00 -0.95 0.00 0.00 178.83 178.43 1bwo h ASP 29 N 0.56 0.95 -0.26 0.00 3.32 -0.58 -0.50 116.42 119.92 1bwo h ASP 29 Ca 0.13 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.85 1bwo h ASP 29 Cb 0.19 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1bwo h ASP 29 CO -0.01 0.88 -0.36 1.23 -1.72 0.00 0.00 179.24 179.27 1bwo h GLY 30 N 0.96 0.86 1.59 2.75 0.00 -0.66 -1.70 103.07 106.86 1bwo h GLY 30 Ca 0.22 -0.84 -0.12 0.00 0.00 0.00 0.00 47.33 46.59 1bwo h GLY 30 CO -0.01 0.76 -0.37 -2.08 0.00 0.00 0.00 176.54 174.84 1bwo h VAL 31 N 0.65 1.30 -0.13 4.60 2.07 -0.99 -1.81 116.25 121.94 1bwo h VAL 31 Ca 0.06 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 1bwo h VAL 31 Cb 0.91 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1bwo h VAL 31 CO 0.08 0.46 -0.12 0.11 0.02 0.00 0.00 177.57 178.12 1bwo h LYS 32 N 0.39 0.32 -0.79 1.57 1.57 -1.00 -2.33 116.57 116.31 1bwo h LYS 32 Ca 0.04 -0.16 0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1bwo h LYS 32 Cb 0.83 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.09 1bwo h LYS 32 CO 0.07 0.70 0.49 -0.91 -0.57 0.00 0.00 179.45 179.23 1bwo h ASN 33 N -0.06 0.78 0.71 0.86 -0.26 -1.20 -1.09 115.58 115.31 1bwo h ASN 33 Ca 0.02 0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.74 1bwo h ASN 33 Cb 0.64 -0.15 0.01 0.00 -1.06 0.00 0.00 38.32 37.76 1bwo h ASN 33 CO 0.03 0.51 -0.34 0.25 -1.06 0.00 0.00 177.43 176.82 1bwo h LEU 34 N 0.91 -0.81 -1.79 1.61 6.46 -1.32 -0.79 115.31 119.60 1bwo h LEU 34 Ca 0.33 0.02 0.22 0.00 -0.12 0.00 0.00 57.88 58.33 1bwo h LEU 34 Cb 0.11 0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.20 1bwo h LEU 34 CO -0.15 -0.55 0.59 -0.74 -0.62 0.00 0.00 178.44 176.96 1bwo h HIS 35 N -0.99 0.24 -0.01 1.25 2.76 -1.19 0.24 115.15 117.44 1bwo h HIS 35 Ca -0.10 0.01 -0.23 0.00 -2.20 0.00 0.00 60.37 57.85 1bwo h HIS 35 Cb 0.74 -0.07 0.01 0.00 1.55 0.00 0.00 27.41 29.63 1bwo h HIS 35 CO -0.02 0.06 -0.94 -0.97 -1.30 0.00 0.00 177.93 174.77 1bwo h ASN 36 N 0.18 0.62 0.13 3.26 -0.73 -0.77 -3.36 115.58 114.91 1bwo h ASN 36 Ca 0.42 -0.49 -0.18 0.00 1.87 0.00 0.00 56.30 57.92 1bwo h ASN 36 Cb 1.37 -0.19 0.02 0.00 0.27 0.00 0.00 38.32 39.79 1bwo h ASN 36 CO -0.08 1.28 -0.78 1.56 -0.37 0.00 0.00 177.43 179.05 1bwo h GLN 37 N 0.28 0.30 -5.59 6.67 4.20 0.43 -3.41 115.11 117.99 1bwo h GLN 37 Ca -0.08 -0.49 -0.43 0.00 0.06 0.00 0.00 58.65 57.71 1bwo h GLN 37 Cb 1.57 0.18 -0.05 0.00 0.30 0.00 0.00 27.48 29.48 1bwo h GLN 37 CO 0.17 1.23 1.37 0.00 -0.67 0.00 0.00 178.83 180.92 1bwo s ALA 38 N -2.47 2.22 -0.21 3.87 0.00 -0.11 -4.66 121.76 120.40 1bwo s ALA 38 Ca -0.14 -2.34 -0.16 0.00 0.00 0.00 0.00 51.96 49.33 1bwo s ALA 38 Cb 0.01 -4.66 -0.09 0.00 0.00 0.00 0.00 23.12 18.37 1bwo s ALA 38 CO 0.83 -4.68 -0.22 0.54 0.00 0.00 0.00 175.76 172.23 1bwo n ARG 39 N 8.34 0.54 -1.05 0.00 1.74 -1.26 -4.54 116.66 120.43 1bwo n ARG 39 Ca 0.46 0.36 -0.33 0.00 -0.77 0.00 0.00 57.85 57.56 1bwo n ARG 39 Cb 0.46 -1.56 0.13 0.00 -1.02 0.00 0.00 32.46 30.48 1bwo n ARG 39 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1bwo n SER 40 N -4.43 0.78 -0.22 0.55 3.41 -1.26 -4.79 113.62 107.66 1bwo n SER 40 Ca -0.28 0.56 -0.05 0.00 -0.26 0.00 0.00 58.87 58.84 1bwo n SER 40 Cb 0.60 -1.49 0.05 0.00 -0.26 0.00 0.00 64.21 63.11 1bwo n SER 40 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1bwo h GLN 41 N -1.02 0.78 0.00 4.33 -0.00 -1.99 -1.98 115.11 115.23 1bwo h GLN 41 Ca -0.46 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.11 1bwo h GLN 41 Cb 1.30 -0.18 -0.00 0.00 0.00 0.00 0.00 27.48 28.60 1bwo h GLN 41 CO 0.45 0.51 -0.15 1.03 0.00 0.00 0.00 178.83 180.67 1bwo h SER 42 N 0.80 0.00 -0.03 -0.69 0.87 -1.99 -1.50 113.55 111.01 1bwo h SER 42 Ca 0.23 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.56 1bwo h SER 42 Cb -0.05 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1bwo h SER 42 CO -0.07 0.15 -0.91 0.44 -0.53 0.00 0.00 176.83 175.91 1bwo h ASP 43 N 0.00 0.85 -0.45 6.23 3.32 -1.73 -2.17 116.42 122.47 1bwo h ASP 43 Ca -0.00 -0.72 -0.03 0.00 0.02 0.00 0.00 57.03 56.30 1bwo h ASP 43 Cb 0.27 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1bwo h ASP 43 CO 0.02 1.46 0.17 0.03 -1.72 0.00 0.00 179.24 179.19 1bwo h ARG 44 N 0.33 0.67 -0.59 3.56 3.08 -1.04 0.55 114.38 120.94 1bwo h ARG 44 Ca -0.11 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 1bwo h ARG 44 Cb 1.57 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.49 1bwo h ARG 44 CO 0.18 0.63 0.22 0.37 -1.07 0.00 0.00 179.97 180.29 1bwo h GLN 45 N 0.58 0.90 0.00 0.04 4.15 -1.32 -0.63 115.11 118.83 1bwo h GLN 45 Ca 0.15 -0.17 -0.14 0.00 0.77 0.00 0.00 58.65 59.25 1bwo h GLN 45 Cb 0.21 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 1bwo h GLN 45 CO -0.01 0.78 -0.67 0.66 -1.93 0.00 0.00 178.83 177.66 1bwo h SER 46 N 0.82 0.00 -0.40 -0.69 4.64 -1.28 -1.96 113.55 114.68 1bwo h SER 46 Ca 0.19 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.36 1bwo h SER 46 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1bwo h SER 46 CO -0.01 0.67 -0.34 0.00 -0.87 0.00 0.00 176.83 176.28 1bwo h ALA 47 N 1.33 0.58 -0.14 5.18 0.00 -0.68 -0.90 119.26 124.64 1bwo h ALA 47 Ca -0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1bwo h ALA 47 Cb 1.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1bwo h ALA 47 CO 0.09 0.66 0.08 0.00 0.00 0.00 0.00 179.25 180.07 1bwo h ASN 49 N 0.13 0.33 0.42 0.00 2.35 -1.26 -0.68 115.58 116.87 1bwo h ASN 49 Ca 0.05 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1bwo h ASN 49 Cb 0.07 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1bwo h ASN 49 CO -0.01 0.42 -0.20 0.00 -1.65 0.00 0.00 177.43 175.99 1bwo h LEU 51 N -0.93 0.46 -0.61 0.00 3.38 -0.80 -0.45 115.31 116.36 1bwo h LEU 51 Ca -0.06 0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1bwo h LEU 51 Cb 0.56 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1bwo h LEU 51 CO 0.09 0.29 0.38 0.50 0.09 0.00 0.00 178.44 179.79 1bwo h LYS 52 N 0.60 0.73 -0.45 1.13 3.64 -1.17 -0.31 116.57 120.75 1bwo h LYS 52 Ca 0.30 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1bwo h LYS 52 Cb 0.26 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1bwo h LYS 52 CO -0.22 0.48 0.18 0.78 -2.27 0.00 0.00 179.45 178.41 1bwo h GLY 53 N 0.75 0.71 1.06 5.01 0.00 -0.76 -2.24 103.07 107.61 1bwo h GLY 53 Ca 0.24 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 1bwo h GLY 53 CO -0.09 0.36 0.05 -2.22 0.00 0.00 0.00 176.54 174.64 1bwo h ILE 54 N 0.58 1.26 -0.54 2.60 2.04 -0.75 -3.11 117.51 119.59 1bwo h ILE 54 Ca 0.15 -1.09 -0.07 0.00 1.00 0.00 0.00 64.86 64.85 1bwo h ILE 54 Cb 0.18 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1bwo h ILE 54 CO -0.01 0.40 0.05 0.00 0.00 0.00 0.00 178.15 178.59 1bwo h ALA 55 N 1.00 0.72 0.00 1.87 0.00 -0.99 -2.57 119.26 119.29 1bwo h ALA 55 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bwo h ALA 55 Cb 0.50 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1bwo h ALA 55 CO 0.02 0.49 0.00 0.54 0.00 0.00 0.00 179.25 180.30 1bwo n ARG 56 N -4.33 0.03 0.00 0.00 1.74 -0.85 -1.64 116.66 111.61 1bwo n ARG 56 Ca 0.02 0.32 0.08 0.00 -0.77 0.00 0.00 57.85 57.50 1bwo n ARG 56 Cb 0.29 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.16 1bwo n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bwo n GLY 57 N -0.60 -0.42 3.70 -0.13 0.00 -0.98 -4.96 105.19 101.80 1bwo n GLY 57 Ca 0.03 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1bwo n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bwo s ILE 58 N -2.43 4.28 0.11 -0.61 1.01 -0.65 -5.01 121.20 117.89 1bwo s ILE 58 Ca 0.09 1.62 -0.30 0.00 0.00 0.00 0.00 60.65 62.06 1bwo s ILE 58 Cb 0.13 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 1bwo s ILE 58 CO 0.62 0.06 1.02 -2.28 0.00 0.00 0.00 174.94 174.36 1bwo s HIS 59 N 1.65 3.70 -1.39 3.97 5.65 -1.26 -3.47 115.29 124.14 1bwo s HIS 59 Ca 0.56 1.68 -0.07 0.00 0.25 0.00 0.00 55.06 57.48 1bwo s HIS 59 Cb -0.26 -3.16 0.01 0.00 -1.18 0.00 0.00 32.58 27.99 1bwo s HIS 59 CO 0.25 -0.18 0.97 0.09 -0.65 0.00 0.00 174.74 175.22 1bwo n ASN 60 N 2.94 -6.21 -4.72 9.88 5.03 -1.26 -4.89 115.26 116.03 1bwo n ASN 60 Ca 0.04 -0.44 -0.42 0.00 0.87 0.00 0.00 54.58 54.62 1bwo n ASN 60 Cb 0.48 -4.90 -0.03 0.00 -1.02 0.00 0.00 39.78 34.32 1bwo n ASN 60 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1bwo s LEU 61 N -6.94 4.37 -0.45 3.41 2.96 -1.23 -4.49 118.68 116.32 1bwo s LEU 61 Ca 0.48 2.75 -0.16 0.00 -0.22 0.00 0.00 54.13 56.98 1bwo s LEU 61 Cb -0.21 -3.60 0.05 0.00 0.50 0.00 0.00 46.19 42.93 1bwo s LEU 61 CO 0.60 -0.90 0.42 0.21 -1.32 0.00 0.00 176.35 175.36 1bwo s ASN 62 N 1.16 6.16 0.19 3.68 3.84 0.50 -4.96 114.94 125.51 1bwo s ASN 62 Ca 0.72 -1.00 -0.09 0.00 0.21 0.00 0.00 52.86 52.71 1bwo s ASN 62 Cb -0.47 -2.21 0.10 0.00 -0.55 0.00 0.00 41.25 38.12 1bwo s ASN 62 CO 0.32 -0.63 1.69 -0.33 -2.79 0.00 0.00 177.10 175.36 1bwo h GLU 63 N 8.76 1.12 -0.22 0.43 5.08 -1.92 -2.13 114.58 125.70 1bwo h GLU 63 Ca -0.27 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 57.81 1bwo h GLU 63 Cb 1.11 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1bwo h GLU 63 CO 0.84 1.02 0.09 -0.44 -1.00 0.00 0.00 179.01 179.51 1bwo h ASP 64 N 1.05 0.11 -0.20 1.42 3.32 -1.97 0.94 116.42 121.08 1bwo h ASP 64 Ca 0.21 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1bwo h ASP 64 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1bwo h ASP 64 CO 0.01 0.09 0.13 0.78 -1.72 0.00 0.00 179.24 178.54 1bwo h ASN 65 N 0.19 0.24 -0.34 6.45 4.21 -1.88 -1.69 115.58 122.77 1bwo h ASN 65 Ca 0.09 -0.02 0.06 0.00 1.21 0.00 0.00 56.30 57.64 1bwo h ASN 65 Cb 0.05 -0.06 -0.05 0.00 -1.12 0.00 0.00 38.32 37.14 1bwo h ASN 65 CO -0.09 0.19 0.03 0.00 -1.29 0.00 0.00 177.43 176.27 1bwo h ALA 66 N 1.06 0.33 0.00 -0.83 0.00 -0.94 0.13 119.26 119.00 1bwo h ALA 66 Ca 0.07 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1bwo h ALA 66 Cb -0.01 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1bwo h ALA 66 CO -0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 179.25 178.85 1bwo h ARG 67 N 0.13 0.00 0.00 0.00 3.08 -0.59 -2.59 114.38 114.41 1bwo h ARG 67 Ca 0.16 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 1bwo h ARG 67 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1bwo h ARG 67 CO -0.25 0.01 -0.47 0.77 -1.07 0.00 0.00 179.97 178.96 1bwo h SER 68 N 0.00 0.00 -0.11 7.04 0.02 -0.02 -3.39 113.55 117.09 1bwo h SER 68 Ca -0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1bwo h SER 68 Cb 0.21 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 1bwo h SER 68 CO 0.00 0.39 -0.38 0.40 -1.14 0.00 0.00 176.83 176.10 1bwo h ILE 69 N 0.00 0.21 0.02 3.27 2.04 -1.05 -2.50 117.51 119.50 1bwo h ILE 69 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1bwo h ILE 69 Cb 1.31 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1bwo h ILE 69 CO 0.05 0.00 -0.32 -0.65 0.00 0.00 0.00 178.15 177.23 1bwo h PRO 70 N -0.46 -0.41 -0.87 2.37 0.11 -1.79 -0.21 132.00 130.74 1bwo h PRO 70 Ca 0.08 0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.27 1bwo h PRO 70 Cb 0.60 0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.74 1bwo h PRO 70 CO -0.37 -0.27 0.55 -1.00 -0.21 0.00 0.00 178.00 176.70 1bwo h PRO 71 N -0.42 1.00 0.00 1.05 0.13 -1.60 -0.12 132.00 132.04 1bwo h PRO 71 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1bwo h PRO 71 Cb 0.44 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.35 1bwo h PRO 71 CO -0.20 0.66 0.00 0.87 -0.23 0.00 0.00 178.00 179.10 1bwo h LYS 72 N 1.03 0.00 -0.28 0.86 1.57 -1.29 -2.03 116.57 116.43 1bwo h LYS 72 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1bwo h LYS 72 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1bwo h LYS 72 CO -0.15 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.73 1bwo n GLY 74 N 1.43 0.40 3.36 0.00 0.00 -0.76 -4.92 105.19 104.69 1bwo n GLY 74 Ca 0.18 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1bwo n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bwo s VAL 75 N -2.00 4.69 -0.89 1.61 1.01 -0.20 -5.00 120.40 119.61 1bwo s VAL 75 Ca 0.00 -1.04 -0.19 0.00 0.00 0.00 0.00 61.98 60.75 1bwo s VAL 75 Cb 0.00 -3.73 0.13 0.00 0.00 0.00 0.00 36.38 32.78 1bwo s VAL 75 CO 0.00 -0.40 1.08 0.20 0.00 0.00 0.00 175.10 175.98 1bwo s ASN 76 N 1.96 6.59 0.26 3.32 0.01 -1.26 -3.54 114.94 122.27 1bwo s ASN 76 Ca 0.03 -1.98 -0.11 0.00 -0.71 0.00 0.00 52.86 50.09 1bwo s ASN 76 Cb -0.21 -2.39 -0.07 0.00 0.41 0.00 0.00 41.25 38.98 1bwo s ASN 76 CO 0.06 -1.07 0.60 -0.76 -1.51 0.00 0.00 177.10 174.42 1bwo s LEU 77 N 2.65 4.13 0.00 0.60 1.43 -1.26 -4.96 118.68 121.27 1bwo s LEU 77 Ca 0.31 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1bwo s LEU 77 Cb -0.07 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.38 1bwo s LEU 77 CO -0.08 -0.12 0.89 -0.81 0.23 0.00 0.00 176.35 176.47 1bwo n PRO 78 N -0.25 0.97 -3.87 1.29 -0.04 -1.26 -4.81 135.00 127.02 1bwo n PRO 78 Ca 0.01 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.38 1bwo n PRO 78 Cb 0.53 -1.08 -0.06 0.00 -0.04 0.00 0.00 33.50 32.85 1bwo n PRO 78 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1bwo s TYR 79 N -1.84 0.21 -0.22 0.54 -0.85 -1.26 -5.14 117.35 108.79 1bwo s TYR 79 Ca 0.00 -0.58 -0.13 0.00 -0.52 0.00 0.00 57.07 55.84 1bwo s TYR 79 Cb 0.00 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.34 1bwo s TYR 79 CO 0.00 -0.71 0.29 0.99 -1.52 0.00 0.00 175.55 174.60 1bwo s THR 80 N -3.91 5.27 0.86 -3.49 2.01 -1.26 -5.07 115.64 110.05 1bwo s THR 80 Ca 0.12 0.46 -0.11 0.00 0.31 0.00 0.00 61.69 62.48 1bwo s THR 80 Cb 0.03 -3.62 0.11 0.00 0.01 0.00 0.00 72.50 69.03 1bwo s THR 80 CO -0.04 0.29 1.11 0.27 -0.69 0.00 0.00 174.62 175.56 1bwo s ILE 81 N 1.21 2.68 0.07 1.82 -4.36 -1.26 -5.01 121.20 116.35 1bwo s ILE 81 Ca 0.14 0.22 -0.27 0.00 -0.26 0.00 0.00 60.65 60.48 1bwo s ILE 81 Cb -0.14 -2.50 0.08 0.00 1.25 0.00 0.00 42.46 41.16 1bwo s ILE 81 CO 0.06 -0.29 0.98 -0.94 0.24 0.00 0.00 174.94 175.00 1bwo s SER 82 N -3.06 -0.22 0.60 4.36 1.04 -1.26 -4.79 113.70 110.37 1bwo s SER 82 Ca 0.64 -0.24 0.38 0.00 0.48 0.00 0.00 55.95 57.21 1bwo s SER 82 Cb -0.20 0.41 1.82 0.00 0.10 0.00 0.00 66.02 68.15 1bwo s SER 82 CO 0.57 -0.73 2.15 -0.07 0.98 0.00 0.00 173.24 176.14 1bwo h LEU 83 N 2.00 0.00 -3.22 2.42 3.38 -1.98 -2.61 115.31 115.30 1bwo h LEU 83 Ca -0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1bwo h LEU 83 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1bwo h LEU 83 CO 0.27 0.00 -0.00 0.59 0.09 0.00 0.00 178.44 179.40 1bwo n ASN 84 N -3.10 3.59 -4.72 -0.43 3.02 -1.26 -5.03 115.26 107.33 1bwo n ASN 84 Ca -0.01 -3.05 -0.42 0.00 -0.03 0.00 0.00 54.58 51.07 1bwo n ASN 84 Cb 0.21 -0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 38.84 1bwo n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bwo n ILE 85 N -0.69 1.83 -2.63 2.41 0.13 -0.99 -4.88 119.36 114.55 1bwo n ILE 85 Ca 0.21 -0.46 -0.42 0.00 -1.10 0.00 0.00 62.75 60.98 1bwo n ILE 85 Cb 0.85 -1.68 -0.03 0.00 -0.84 0.00 0.00 39.64 37.94 1bwo n ILE 85 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1bwo s ASP 86 N -0.16 6.26 0.61 9.51 -1.08 -1.26 -4.87 116.67 125.69 1bwo s ASP 86 Ca 0.57 -0.86 0.30 0.00 -0.52 0.00 0.00 52.55 52.04 1bwo s ASP 86 Cb -0.55 -2.53 1.66 0.00 -1.46 0.00 0.00 42.92 40.05 1bwo s ASP 86 CO 0.60 -1.65 2.02 0.00 0.52 0.00 0.00 175.17 176.67 1bwo h SER 88 N 0.00 0.00 -0.10 0.00 4.64 -1.92 -3.01 113.55 113.17 1bwo h SER 88 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1bwo h SER 88 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1bwo h SER 88 CO -0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1bwo n ARG 89 N -2.41 2.30 0.00 4.77 3.00 0.69 -5.08 116.66 119.94 1bwo n ARG 89 Ca 0.04 -1.97 0.13 0.00 -0.01 0.00 0.00 57.85 56.04 1bwo n ARG 89 Cb 0.35 -1.46 0.78 0.00 0.00 0.00 0.00 32.46 32.13 1bwo n ARG 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91