#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bj9 h GLU 2 N 0.00 0.00 -3.89 2.12 4.39 -2.14 -3.45 114.58 111.61 2bj9 h GLU 2 Ca 0.00 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.32 2bj9 h GLU 2 Cb 0.00 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 28.31 2bj9 h GLU 2 CO 0.00 0.30 -0.76 -0.51 -1.16 0.00 0.00 179.01 176.88 2bj9 s LEU 3 N -6.39 1.25 -0.23 1.33 1.43 -1.26 -5.12 118.68 109.69 2bj9 s LEU 3 Ca 0.05 -0.09 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 2bj9 s LEU 3 Cb 0.07 -0.36 -0.04 0.00 0.03 0.00 0.00 46.19 45.89 2bj9 s LEU 3 CO 0.71 -0.08 0.09 -0.63 0.23 0.00 0.00 176.35 176.68 2bj9 s ILE 4 N 0.98 4.71 -0.12 -0.59 1.01 -1.26 -5.08 121.20 120.85 2bj9 s ILE 4 Ca -0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 2bj9 s ILE 4 Cb -0.14 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 2bj9 s ILE 4 CO -0.01 0.37 0.11 -0.60 0.00 0.00 0.00 174.94 174.80 2bj9 s ARG 5 N 1.17 3.43 0.23 2.79 3.52 -1.26 -5.10 118.95 123.73 2bj9 s ARG 5 Ca 0.05 -0.21 -0.17 0.00 -0.13 0.00 0.00 55.73 55.27 2bj9 s ARG 5 Cb -0.14 -3.12 0.02 0.00 -1.56 0.00 0.00 34.95 30.14 2bj9 s ARG 5 CO 0.04 0.70 0.56 -0.59 -0.81 0.00 0.00 175.30 175.20 2bj9 s PHE 6 N -0.82 0.01 0.17 5.12 -0.12 -1.26 -5.17 117.98 115.90 2bj9 s PHE 6 Ca 0.13 -0.39 0.08 0.00 -0.05 0.00 0.00 56.93 56.70 2bj9 s PHE 6 Cb -0.12 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 2bj9 s PHE 6 CO 0.03 -1.02 -0.04 -1.12 -0.05 0.00 0.00 175.22 173.01 2bj9 s SER 7 N -2.93 4.56 0.01 1.98 0.01 -1.26 -5.13 113.70 110.95 2bj9 s SER 7 Ca 0.14 -0.45 -0.05 0.00 1.31 0.00 0.00 55.95 56.89 2bj9 s SER 7 Cb -0.02 -0.90 -0.01 0.00 0.21 0.00 0.00 66.02 65.30 2bj9 s SER 7 CO 0.03 0.11 0.09 -0.51 0.41 0.00 0.00 173.24 173.37 2bj9 s ILE 8 N -1.66 0.09 -0.09 1.44 2.07 -1.26 -5.16 121.20 116.63 2bj9 s ILE 8 Ca 0.26 -0.77 -0.00 0.00 -1.41 0.00 0.00 60.65 58.73 2bj9 s ILE 8 Cb -0.09 -0.40 -0.03 0.00 0.13 0.00 0.00 42.46 42.07 2bj9 s ILE 8 CO 0.17 -0.42 -0.07 -0.44 -1.91 0.00 0.00 174.94 172.27 2bj9 s SER 9 N -1.44 4.61 0.03 4.50 0.01 -1.26 -5.12 113.70 115.04 2bj9 s SER 9 Ca -0.15 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.05 2bj9 s SER 9 Cb -0.08 -1.35 -0.02 0.00 0.21 0.00 0.00 66.02 64.78 2bj9 s SER 9 CO 0.01 0.30 -0.06 -0.63 0.41 0.00 0.00 173.24 173.27 2bj9 s ILE 10 N -0.42 0.40 0.23 1.44 1.01 -1.26 -5.11 121.20 117.49 2bj9 s ILE 10 Ca 0.06 -0.86 -0.31 0.00 0.00 0.00 0.00 60.65 59.54 2bj9 s ILE 10 Cb -0.12 -0.46 -0.11 0.00 0.01 0.00 0.00 42.46 41.78 2bj9 s ILE 10 CO 0.02 -0.32 1.60 -2.84 0.00 0.00 0.00 174.94 173.40 2bj9 s PRO 11 N -1.26 4.17 0.25 2.79 0.02 -1.26 -4.84 135.00 134.87 2bj9 s PRO 11 Ca -0.09 2.49 -0.14 0.00 0.02 0.00 0.00 61.00 63.28 2bj9 s PRO 11 Cb -0.08 -3.08 0.33 0.00 0.02 0.00 0.00 34.50 31.68 2bj9 s PRO 11 CO -0.00 -0.62 1.56 0.66 -0.33 0.00 0.00 177.00 178.26 2bj9 h SER 12 N 5.85 -1.23 0.17 2.53 4.64 -1.99 -1.48 113.55 122.04 2bj9 h SER 12 Ca -0.45 0.31 0.01 0.00 -0.47 0.00 0.00 61.79 61.19 2bj9 h SER 12 Cb 1.21 0.70 -0.04 0.00 -0.31 0.00 0.00 62.40 63.96 2bj9 h SER 12 CO 0.86 -0.31 -0.41 0.11 -0.87 0.00 0.00 176.83 176.22 2bj9 h LYS 13 N -0.00 -0.65 -0.53 4.77 1.79 -2.00 0.86 116.57 120.81 2bj9 h LYS 13 Ca 0.40 0.04 0.11 0.00 -2.18 0.00 0.00 60.65 59.03 2bj9 h LYS 13 Cb 0.65 0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.42 2bj9 h LYS 13 CO -1.00 -0.43 0.36 1.25 -1.08 0.00 0.00 179.45 178.55 2bj9 h LEU 14 N -0.68 0.20 -0.04 2.94 5.85 -1.68 -1.41 115.31 120.49 2bj9 h LEU 14 Ca 0.01 0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.53 2bj9 h LEU 14 Cb 0.68 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.69 2bj9 h LEU 14 CO -0.21 0.12 -0.79 0.25 -0.34 0.00 0.00 178.44 177.47 2bj9 h LEU 15 N 0.22 0.77 -0.56 2.25 5.85 -0.51 -2.78 115.31 120.55 2bj9 h LEU 15 Ca 0.25 -0.71 0.11 0.00 0.84 0.00 0.00 57.88 58.37 2bj9 h LEU 15 Cb 0.69 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.40 2bj9 h LEU 15 CO -0.05 1.37 0.04 -0.33 -0.34 0.00 0.00 178.44 179.14 2bj9 h GLU 16 N 0.24 0.16 -0.20 1.25 5.08 0.26 -0.16 114.58 121.21 2bj9 h GLU 16 Ca -0.09 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2bj9 h GLU 16 Cb 1.45 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 2bj9 h GLU 16 CO 0.16 0.11 0.02 -0.22 -1.00 0.00 0.00 179.01 178.07 2bj9 h LYS 17 N 0.16 0.33 -0.83 2.33 3.64 -1.54 -1.52 116.57 119.16 2bj9 h LYS 17 Ca 0.29 -0.10 0.07 0.00 -1.27 0.00 0.00 60.65 59.64 2bj9 h LYS 17 Cb 0.44 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 2bj9 h LYS 17 CO -0.43 0.51 0.54 0.35 -2.27 0.00 0.00 179.45 178.15 2bj9 h PHE 18 N 0.11 0.91 -0.05 1.91 3.57 -1.12 -1.88 116.94 120.39 2bj9 h PHE 18 Ca 0.06 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2bj9 h PHE 18 Cb 0.35 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2bj9 h PHE 18 CO 0.03 0.48 -0.03 -0.44 -2.23 0.00 0.00 178.31 176.12 2bj9 h ASP 19 N 0.90 0.12 -0.95 0.41 3.32 -0.82 -2.19 116.42 117.21 2bj9 h ASP 19 Ca 0.36 -0.41 0.14 0.00 0.02 0.00 0.00 57.03 57.13 2bj9 h ASP 19 Cb 0.24 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 39.67 2bj9 h ASP 19 CO -0.13 0.50 0.56 -0.61 -1.72 0.00 0.00 179.24 177.85 2bj9 h GLN 20 N -0.27 0.80 0.25 3.56 4.15 -0.77 -2.04 115.11 120.80 2bj9 h GLN 20 Ca 0.01 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 2bj9 h GLN 20 Cb 0.46 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.97 2bj9 h GLN 20 CO 0.01 0.53 -0.12 0.82 -1.93 0.00 0.00 178.83 178.14 2bj9 h ILE 21 N 0.83 0.74 0.00 2.39 2.04 -1.30 -2.56 117.51 119.65 2bj9 h ILE 21 Ca 0.50 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2bj9 h ILE 21 Cb 0.61 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2bj9 h ILE 21 CO -0.31 0.15 0.00 2.30 0.00 0.00 0.00 178.15 180.29 2bj9 n ILE 22 N -5.05 1.22 -0.02 -0.67 -5.35 -0.83 -1.19 119.36 107.47 2bj9 n ILE 22 Ca -0.09 0.65 -0.17 0.00 -0.27 0.00 0.00 62.75 62.87 2bj9 n ILE 22 Cb 0.26 -1.64 -0.14 0.00 -1.74 0.00 0.00 39.64 36.38 2bj9 n ILE 22 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2bj9 h GLU 23 N 0.00 0.13 -0.49 6.28 5.08 -1.26 -1.55 114.58 122.78 2bj9 h GLU 23 Ca 0.00 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.18 2bj9 h GLU 23 Cb 0.03 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 2bj9 h GLU 23 CO 0.00 1.11 0.21 0.93 -1.00 0.00 0.00 179.01 180.26 2bj9 h GLU 24 N -0.71 0.41 -0.22 2.33 5.08 -0.73 -2.15 114.58 118.59 2bj9 h GLU 24 Ca -0.10 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2bj9 h GLU 24 Cb 1.32 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2bj9 h GLU 24 CO 0.05 0.27 0.13 0.82 -1.00 0.00 0.00 179.01 179.28 2bj9 h ILE 25 N 0.42 1.07 0.00 3.13 2.04 -1.35 -3.47 117.51 119.35 2bj9 h ILE 25 Ca 0.22 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2bj9 h ILE 25 Cb 0.18 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2bj9 h ILE 25 CO -0.19 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.64 2bj9 n GLY 26 N -1.44 1.24 3.80 5.37 0.00 -0.81 -5.09 105.19 108.25 2bj9 n GLY 26 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2bj9 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bj9 s TYR 27 N -2.00 3.10 0.01 1.61 1.51 -0.60 -4.96 117.35 116.02 2bj9 s TYR 27 Ca 0.00 1.60 0.02 0.00 -1.01 0.00 0.00 57.07 57.68 2bj9 s TYR 27 Cb 0.00 -3.06 -0.25 0.00 -0.11 0.00 0.00 41.96 38.54 2bj9 s TYR 27 CO 0.00 -0.71 0.87 0.93 -1.11 0.00 0.00 175.55 175.53 2bj9 h GLU 28 N 1.84 0.14 -3.53 -0.62 5.08 -1.98 -3.44 114.58 112.06 2bj9 h GLU 28 Ca -0.49 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 57.56 2bj9 h GLU 28 Cb 1.22 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.44 2bj9 h GLU 28 CO 0.60 0.95 -0.13 0.54 -1.00 0.00 0.00 179.01 179.97 2bj9 s ASN 29 N -6.73 -0.13 0.58 1.42 2.20 -1.26 -5.05 114.94 105.97 2bj9 s ASN 29 Ca -0.07 -0.55 0.27 0.00 -0.94 0.00 0.00 52.86 51.57 2bj9 s ASN 29 Cb 0.08 0.49 1.72 0.00 -2.00 0.00 0.00 41.25 41.53 2bj9 s ASN 29 CO 0.84 -0.92 2.24 0.03 -2.94 0.00 0.00 177.10 176.34 2bj9 h ARG 30 N 2.39 0.00 -0.26 3.55 3.08 -1.98 -2.80 114.38 118.36 2bj9 h ARG 30 Ca -0.32 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.62 2bj9 h ARG 30 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 2bj9 h ARG 30 CO 0.45 0.00 -0.33 0.77 -1.07 0.00 0.00 179.97 179.79 2bj9 h SER 31 N 0.00 0.57 -0.03 7.04 0.02 -1.99 -1.49 113.55 117.67 2bj9 h SER 31 Ca -0.00 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2bj9 h SER 31 Cb 0.00 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 2bj9 h SER 31 CO 0.00 0.86 0.01 -0.33 -1.14 0.00 0.00 176.83 176.23 2bj9 h GLU 32 N 0.47 0.05 0.67 3.45 5.08 -1.93 -0.56 114.58 121.82 2bj9 h GLU 32 Ca 0.05 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2bj9 h GLU 32 Cb 0.80 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2bj9 h GLU 32 CO 0.07 0.19 -0.42 0.00 -1.00 0.00 0.00 179.01 177.85 2bj9 h ALA 33 N 0.86 -1.22 -0.87 3.43 0.00 -1.59 -1.69 119.26 118.18 2bj9 h ALA 33 Ca 0.01 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.84 2bj9 h ALA 33 Cb 0.16 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 2bj9 h ALA 33 CO -0.00 -1.18 0.56 0.82 0.00 0.00 0.00 179.25 179.45 2bj9 h ILE 34 N -1.03 0.87 -0.15 0.00 2.04 -1.32 0.12 117.51 118.04 2bj9 h ILE 34 Ca -0.09 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.57 2bj9 h ILE 34 Cb 0.83 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 2bj9 h ILE 34 CO 0.09 0.13 -0.11 -0.09 0.00 0.00 0.00 178.15 178.17 2bj9 h ARG 35 N 0.71 -0.11 -0.25 2.37 2.43 -0.78 -0.96 114.38 117.79 2bj9 h ARG 35 Ca 0.43 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.60 2bj9 h ARG 35 Cb 0.64 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2bj9 h ARG 35 CO -0.19 -0.07 0.15 -0.44 -1.51 0.00 0.00 179.97 177.91 2bj9 h ASP 36 N -0.11 0.30 -0.83 -3.80 3.32 -0.08 0.06 116.42 115.27 2bj9 h ASP 36 Ca 0.09 -0.05 0.15 0.00 0.02 0.00 0.00 57.03 57.24 2bj9 h ASP 36 Cb 0.25 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.63 2bj9 h ASP 36 CO -0.22 0.26 0.41 -0.07 -1.72 0.00 0.00 179.24 177.89 2bj9 h LEU 37 N 0.31 0.48 -0.51 1.55 3.38 -0.79 0.12 115.31 119.85 2bj9 h LEU 37 Ca 0.09 0.10 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 2bj9 h LEU 37 Cb 0.01 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2bj9 h LEU 37 CO -0.02 0.20 -0.22 0.40 0.09 0.00 0.00 178.44 178.88 2bj9 h ILE 38 N 0.58 1.27 0.30 1.22 2.04 -0.69 -1.57 117.51 120.66 2bj9 h ILE 38 Ca 0.45 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 2bj9 h ILE 38 Cb 0.65 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2bj9 h ILE 38 CO -0.37 0.48 -0.14 -0.09 0.00 0.00 0.00 178.15 178.02 2bj9 h ARG 39 N 0.84 -0.38 -0.70 2.37 2.43 0.11 -0.75 114.38 118.29 2bj9 h ARG 39 Ca 0.11 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 2bj9 h ARG 39 Cb 0.80 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 2bj9 h ARG 39 CO 0.07 -0.24 0.46 -0.44 -1.51 0.00 0.00 179.97 178.31 2bj9 h ASP 40 N -0.42 0.64 0.33 -3.80 3.45 -0.82 -2.26 116.42 113.54 2bj9 h ASP 40 Ca -0.04 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.41 2bj9 h ASP 40 Cb 0.32 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 2bj9 h ASP 40 CO 0.07 0.42 -0.16 0.15 -1.57 0.00 0.00 179.24 178.15 2bj9 h PHE 41 N 0.73 -0.41 -0.92 4.55 3.57 -0.91 -2.44 116.94 121.11 2bj9 h PHE 41 Ca 0.30 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.98 2bj9 h PHE 41 Cb 0.25 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.05 2bj9 h PHE 41 CO -0.00 -0.11 0.60 0.82 -2.23 0.00 0.00 178.31 177.39 2bj9 h ILE 42 N -0.70 0.71 0.24 1.41 2.04 -0.79 -1.63 117.51 118.80 2bj9 h ILE 42 Ca -0.04 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2bj9 h ILE 42 Cb 0.48 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2bj9 h ILE 42 CO 0.07 0.10 -0.12 0.40 0.00 0.00 0.00 178.15 178.60 2bj9 h ILE 43 N 0.53 0.75 -0.02 -0.67 2.04 -1.29 -3.19 117.51 115.67 2bj9 h ILE 43 Ca 0.49 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2bj9 h ILE 43 Cb 1.04 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2bj9 h ILE 43 CO -0.22 0.16 0.02 0.03 0.00 0.00 0.00 178.15 178.14 2bj9 h ARG 44 N -0.80 0.00 -0.96 2.37 3.08 -1.00 -2.39 114.38 114.68 2bj9 h ARG 44 Ca -0.03 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.38 2bj9 h ARG 44 Cb 0.51 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.26 2bj9 h ARG 44 CO 0.05 0.00 0.66 0.72 -1.07 0.00 0.00 179.97 180.33 2bj9 n HIS 45 N -3.76 3.11 0.00 3.04 8.25 -0.65 -3.98 115.22 121.23 2bj9 n HIS 45 Ca -0.03 -2.77 0.00 0.00 -0.26 0.00 0.00 57.72 54.66 2bj9 n HIS 45 Cb 0.10 -1.26 0.00 0.00 1.12 0.00 0.00 29.99 29.95 2bj9 n HIS 45 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2bj9 n GLU 46 N -0.93 3.25 -0.46 -0.41 1.02 -0.90 -4.90 120.64 117.31 2bj9 n GLU 46 Ca 0.60 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.57 2bj9 n GLU 46 Cb 0.83 -0.32 -0.02 0.00 -0.02 0.00 0.00 31.44 31.90 2bj9 n GLU 46 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2bj9 n TRP 47 N -0.13 0.75 -1.61 -0.32 8.01 -1.23 -4.86 117.44 118.05 2bj9 n TRP 47 Ca 0.00 -1.23 -0.54 0.00 -1.31 0.00 0.00 57.50 54.41 2bj9 n TRP 47 Cb 0.00 -1.16 -0.06 0.00 -2.01 0.00 0.00 31.31 28.07 2bj9 n TRP 47 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 2bj9 n GLU 48 N 5.11 1.02 -4.26 -0.99 4.07 -1.26 -4.98 120.64 119.35 2bj9 n GLU 48 Ca 0.27 0.37 -0.34 0.00 -0.06 0.00 0.00 57.16 57.40 2bj9 n GLU 48 Cb 0.13 -2.00 -0.09 0.00 -0.06 0.00 0.00 31.44 29.42 2bj9 n GLU 48 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2bj9 s VAL 49 N 1.13 4.42 0.00 6.31 -7.23 -1.26 -5.11 120.40 118.66 2bj9 s VAL 49 Ca 0.88 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.70 2bj9 s VAL 49 Cb -1.02 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 32.99 2bj9 s VAL 49 CO 0.52 0.49 0.00 0.61 -0.31 0.00 0.00 175.10 176.41 2bj9 n GLY 50 N 1.72 -2.76 1.76 2.32 0.00 -1.26 -4.58 105.19 102.39 2bj9 n GLY 50 Ca -0.16 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.30 2bj9 n GLY 50 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bj9 n ASN 51 N 0.00 1.64 -2.89 1.61 5.15 -1.26 -3.31 115.26 116.20 2bj9 n ASN 51 Ca 0.00 -2.49 -0.03 0.00 -0.60 0.00 0.00 54.58 51.46 2bj9 n ASN 51 Cb 0.00 -0.39 0.03 0.00 -0.53 0.00 0.00 39.78 38.89 2bj9 n ASN 51 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2bj9 n GLU 52 N -0.18 -1.97 -3.97 1.20 4.71 -1.26 -4.57 120.64 114.60 2bj9 n GLU 52 Ca 0.12 -0.17 -0.34 0.00 -0.01 0.00 0.00 57.16 56.75 2bj9 n GLU 52 Cb 0.96 -0.20 -0.14 0.00 -1.01 0.00 0.00 31.44 31.05 2bj9 n GLU 52 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2bj9 s GLU 53 N -3.25 2.88 0.32 3.49 2.56 -1.26 -1.47 118.70 121.96 2bj9 s GLU 53 Ca 0.08 -0.95 0.05 0.00 0.00 0.00 0.00 54.97 54.15 2bj9 s GLU 53 Cb -0.01 -2.95 -0.06 0.00 2.00 0.00 0.00 34.13 33.11 2bj9 s GLU 53 CO 0.06 -0.37 0.01 0.14 -0.56 0.00 0.00 175.26 174.54 2bj9 s VAL 54 N 1.33 1.43 -0.10 3.70 -7.23 0.62 -4.72 120.40 115.42 2bj9 s VAL 54 Ca 0.01 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 2bj9 s VAL 54 Cb -0.16 -2.68 0.02 0.00 0.56 0.00 0.00 36.38 34.11 2bj9 s VAL 54 CO -0.05 -0.12 -0.13 0.00 -0.31 0.00 0.00 175.10 174.49 2bj9 s ALA 55 N -3.13 1.56 0.26 1.32 0.00 -0.90 -0.92 121.76 119.94 2bj9 s ALA 55 Ca 0.34 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 51.69 2bj9 s ALA 55 Cb 0.07 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 2bj9 s ALA 55 CO 0.14 -0.11 0.17 0.41 0.00 0.00 0.00 175.76 176.37 2bj9 n GLY 56 N 4.28 3.29 2.82 0.00 0.00 0.23 -2.16 105.19 113.66 2bj9 n GLY 56 Ca -0.19 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 43.77 2bj9 n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bj9 s THR 57 N -2.89 -0.07 -0.37 2.61 -4.23 -0.49 -0.43 115.64 109.78 2bj9 s THR 57 Ca 0.24 0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 60.93 2bj9 s THR 57 Cb 0.01 -0.15 0.07 0.00 1.34 0.00 0.00 72.50 73.77 2bj9 s THR 57 CO 0.17 0.09 0.15 -0.63 -0.54 0.00 0.00 174.62 173.86 2bj9 s ILE 58 N 1.21 3.58 -0.18 2.99 1.01 0.55 -1.63 121.20 128.73 2bj9 s ILE 58 Ca -0.08 -1.50 -0.19 0.00 0.00 0.00 0.00 60.65 58.88 2bj9 s ILE 58 Cb -0.12 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 2bj9 s ILE 58 CO -0.04 -0.38 0.53 -0.89 0.00 0.00 0.00 174.94 174.16 2bj9 s THR 59 N 1.30 5.10 0.10 2.92 2.01 -0.60 -1.19 115.64 125.28 2bj9 s THR 59 Ca 0.01 1.01 0.04 0.00 0.31 0.00 0.00 61.69 63.06 2bj9 s THR 59 Cb -0.21 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2bj9 s THR 59 CO -0.00 0.19 -0.11 0.27 -0.69 0.00 0.00 174.62 174.28 2bj9 s ILE 60 N 1.47 1.04 -0.06 1.82 -4.36 0.16 -1.47 121.20 119.81 2bj9 s ILE 60 Ca 0.26 -1.61 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 2bj9 s ILE 60 Cb -0.15 -1.35 0.02 0.00 1.25 0.00 0.00 42.46 42.23 2bj9 s ILE 60 CO 0.10 -0.48 -0.08 -0.69 0.24 0.00 0.00 174.94 174.03 2bj9 s VAL 61 N -2.21 0.82 0.21 8.37 1.01 -0.07 -0.46 120.40 128.08 2bj9 s VAL 61 Ca 0.05 -0.27 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 2bj9 s VAL 61 Cb -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2bj9 s VAL 61 CO 0.01 0.29 0.44 -0.72 0.00 0.00 0.00 175.10 175.13 2bj9 s TYR 62 N 0.95 0.23 -0.44 5.22 -0.85 -0.58 -0.65 117.35 121.23 2bj9 s TYR 62 Ca -0.10 -0.59 -0.16 0.00 -0.52 0.00 0.00 57.07 55.70 2bj9 s TYR 62 Cb -0.15 0.19 0.04 0.00 0.38 0.00 0.00 41.96 42.43 2bj9 s TYR 62 CO 0.00 -0.91 0.39 1.21 -1.52 0.00 0.00 175.55 174.73 2bj9 s ASN 63 N -2.96 6.15 0.44 -0.18 3.84 -1.18 -0.13 114.94 120.92 2bj9 s ASN 63 Ca 0.17 -1.02 0.31 0.00 0.21 0.00 0.00 52.86 52.53 2bj9 s ASN 63 Cb 0.00 -2.19 1.48 0.00 -0.55 0.00 0.00 41.25 39.99 2bj9 s ASN 63 CO 0.03 -0.59 1.92 1.12 -2.79 0.00 0.00 177.10 176.80 2bj9 h HIS 64 N 8.73 0.00 -0.02 0.43 2.07 -1.63 -1.38 115.15 123.34 2bj9 h HIS 64 Ca -0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.25 2bj9 h HIS 64 Cb 1.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.09 2bj9 h HIS 64 CO 0.61 0.00 -0.07 -0.25 -3.07 0.00 0.00 177.93 175.16 2bj9 n ASP 65 N -2.65 1.73 -4.82 3.10 8.00 -1.26 -4.60 116.55 116.04 2bj9 n ASP 65 Ca -0.00 -1.49 -0.38 0.00 0.71 0.00 0.00 54.79 53.63 2bj9 n ASP 65 Cb 0.16 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 2bj9 n ASP 65 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2bj9 s GLU 66 N -2.11 4.14 0.00 -1.24 2.12 -0.52 -4.94 118.70 116.15 2bj9 s GLU 66 Ca 0.33 0.67 0.00 0.00 0.36 0.00 0.00 54.97 56.33 2bj9 s GLU 66 Cb 0.20 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.44 2bj9 s GLU 66 CO 0.37 0.60 0.00 0.41 -0.54 0.00 0.00 175.26 176.10 2bj9 n GLY 67 N 1.47 1.39 1.18 -1.50 0.00 -1.26 -2.95 105.19 103.51 2bj9 n GLY 67 Ca -0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 2bj9 n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bj9 n ASP 68 N -0.73 2.12 -0.31 1.61 4.64 -1.26 -4.83 116.55 117.79 2bj9 n ASP 68 Ca 0.00 -3.37 0.11 0.00 -1.38 0.00 0.00 54.79 50.15 2bj9 n ASP 68 Cb 0.00 -0.45 0.33 0.00 -1.04 0.00 0.00 41.12 39.97 2bj9 n ASP 68 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 2bj9 h VAL 69 N 2.73 0.83 -0.44 5.18 3.04 -1.73 -1.62 116.25 124.23 2bj9 h VAL 69 Ca 0.01 -0.27 0.07 0.00 -1.01 0.00 0.00 66.70 65.50 2bj9 h VAL 69 Cb 1.30 -0.02 -0.06 0.00 -2.01 0.00 0.00 31.29 30.49 2bj9 h VAL 69 CO 0.16 0.14 0.07 0.58 -1.01 0.00 0.00 177.57 177.52 2bj9 h VAL 70 N 0.78 0.75 -0.02 1.51 2.07 -1.82 0.45 116.25 119.97 2bj9 h VAL 70 Ca 0.49 -0.07 -0.22 0.00 0.82 0.00 0.00 66.70 67.72 2bj9 h VAL 70 Cb 0.71 0.53 0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2bj9 h VAL 70 CO -0.25 0.04 -0.86 0.50 0.02 0.00 0.00 177.57 177.01 2bj9 h LYS 71 N 0.20 0.62 -0.89 1.57 3.64 -1.82 -2.72 116.57 117.18 2bj9 h LYS 71 Ca 0.21 -0.64 0.14 0.00 -1.27 0.00 0.00 60.65 59.09 2bj9 h LYS 71 Cb 0.28 0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 2bj9 h LYS 71 CO -0.29 1.24 0.58 0.00 -2.27 0.00 0.00 179.45 178.71 2bj9 h ALA 72 N 0.40 1.80 -0.29 5.00 0.00 -0.98 0.33 119.26 125.52 2bj9 h ALA 72 Ca -0.10 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2bj9 h ALA 72 Cb 1.53 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 2bj9 h ALA 72 CO 0.17 -0.04 -0.30 -0.07 0.00 0.00 0.00 179.25 179.02 2bj9 h LEU 73 N 0.72 0.76 0.10 0.00 3.38 -0.89 -1.36 115.31 118.02 2bj9 h LEU 73 Ca 0.45 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2bj9 h LEU 73 Cb 0.68 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2bj9 h LEU 73 CO -0.21 1.08 -0.05 -0.07 0.09 0.00 0.00 178.44 179.28 2bj9 h LEU 74 N 0.45 -0.12 -0.59 1.67 3.38 -0.89 -0.98 115.31 118.23 2bj9 h LEU 74 Ca 0.04 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.72 2bj9 h LEU 74 Cb 0.87 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 2bj9 h LEU 74 CO 0.07 0.32 0.27 0.44 0.09 0.00 0.00 178.44 179.64 2bj9 h ASP 75 N -0.59 0.35 -0.06 -0.43 3.45 -0.47 -0.16 116.42 118.51 2bj9 h ASP 75 Ca -0.01 0.05 -0.05 0.00 0.43 0.00 0.00 57.03 57.44 2bj9 h ASP 75 Cb 0.47 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 2bj9 h ASP 75 CO 0.02 0.23 -0.10 0.25 -1.57 0.00 0.00 179.24 178.07 2bj9 h LEU 76 N 0.50 0.33 -0.12 1.55 5.85 -1.23 -2.90 115.31 119.30 2bj9 h LEU 76 Ca 0.28 -0.07 -0.23 0.00 0.84 0.00 0.00 57.88 58.70 2bj9 h LEU 76 Cb 0.26 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 2bj9 h LEU 76 CO -0.23 0.47 -1.01 1.56 -0.34 0.00 0.00 178.44 178.90 2bj9 h GLN 77 N 0.33 0.29 0.00 1.25 4.20 -0.11 -3.15 115.11 117.92 2bj9 h GLN 77 Ca 0.07 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2bj9 h GLN 77 Cb 0.39 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2bj9 h GLN 77 CO 0.02 1.08 0.00 0.72 -0.67 0.00 0.00 178.83 179.99 2bj9 n HIS 78 N -3.64 0.00 0.13 2.96 8.25 -0.18 -1.81 115.22 120.93 2bj9 n HIS 78 Ca -0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.39 2bj9 n HIS 78 Cb 0.88 -0.47 0.10 0.00 1.12 0.00 0.00 29.99 31.63 2bj9 n HIS 78 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2bj9 h GLU 79 N 0.00 0.00 -2.25 -0.41 5.08 -1.47 -3.35 114.58 112.18 2bj9 h GLU 79 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 2bj9 h GLU 79 Cb 0.29 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.12 2bj9 h GLU 79 CO 0.00 0.65 -0.56 0.66 -1.00 0.00 0.00 179.01 178.76 2bj9 n TYR 80 N -3.51 3.82 0.87 4.33 4.02 -0.75 -4.85 117.16 121.09 2bj9 n TYR 80 Ca -0.00 -4.03 0.09 0.00 -0.01 0.00 0.00 57.90 53.95 2bj9 n TYR 80 Cb 0.70 -0.55 0.46 0.00 -0.02 0.00 0.00 39.34 39.93 2bj9 n TYR 80 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2bj9 n LEU 81 N 0.30 0.00 -0.03 7.72 4.77 -1.25 -2.18 117.00 126.33 2bj9 n LEU 81 Ca 0.31 0.25 -0.14 0.00 -0.03 0.00 0.00 56.01 56.39 2bj9 n LEU 81 Cb 0.40 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 41.10 2bj9 n LEU 81 CO 0.38 -0.10 -0.77 0.47 -1.33 0.00 0.00 177.39 176.04 2bj9 n ASP 82 N -1.25 1.37 0.00 -1.43 8.00 -1.26 -4.39 116.55 117.59 2bj9 n ASP 82 Ca 0.09 0.25 0.02 0.00 0.71 0.00 0.00 54.79 55.86 2bj9 n ASP 82 Cb 0.13 -0.30 -0.11 0.00 -0.02 0.00 0.00 41.12 40.82 2bj9 n ASP 82 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2bj9 n GLU 83 N -3.20 0.64 -3.26 -1.24 4.71 -1.16 -4.81 120.64 112.32 2bj9 n GLU 83 Ca -0.27 0.05 -0.42 0.00 -0.01 0.00 0.00 57.16 56.50 2bj9 n GLU 83 Cb 1.06 -1.67 -0.08 0.00 -1.01 0.00 0.00 31.44 29.74 2bj9 n GLU 83 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2bj9 s ILE 84 N -3.04 5.01 -0.09 -3.67 1.01 -0.93 -0.62 121.20 118.87 2bj9 s ILE 84 Ca -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 60.65 60.54 2bj9 s ILE 84 Cb 0.10 -4.05 -0.00 0.00 0.01 0.00 0.00 42.46 38.52 2bj9 s ILE 84 CO 0.84 -0.40 -0.01 0.40 0.00 0.00 0.00 174.94 175.78 2bj9 h ILE 85 N 5.73 0.00 -3.61 2.92 2.04 -1.56 -3.45 117.51 119.59 2bj9 h ILE 85 Ca -0.27 -0.92 -0.13 0.00 1.00 0.00 0.00 64.86 64.55 2bj9 h ILE 85 Cb 1.11 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 2bj9 h ILE 85 CO 0.81 0.00 -0.01 -0.44 0.00 0.00 0.00 178.15 178.51 2bj9 s SER 86 N -5.35 0.34 -0.14 1.72 0.01 -1.22 -5.03 113.70 104.03 2bj9 s SER 86 Ca -0.01 -1.20 -0.08 0.00 1.31 0.00 0.00 55.95 55.97 2bj9 s SER 86 Cb 0.00 0.71 0.05 0.00 0.21 0.00 0.00 66.02 66.99 2bj9 s SER 86 CO 0.01 -1.38 0.34 -0.94 0.41 0.00 0.00 173.24 171.67 2bj9 s SER 87 N -3.12 -0.40 -0.22 2.44 1.04 -1.26 -1.03 113.70 111.15 2bj9 s SER 87 Ca 0.23 0.73 -0.10 0.00 0.48 0.00 0.00 55.95 57.28 2bj9 s SER 87 Cb -0.02 0.62 -0.05 0.00 0.10 0.00 0.00 66.02 66.67 2bj9 s SER 87 CO 0.14 -0.17 0.15 -0.22 0.98 0.00 0.00 173.24 174.12 2bj9 s LEU 88 N 1.17 4.16 -0.09 2.42 2.96 0.85 -4.93 118.68 125.22 2bj9 s LEU 88 Ca -0.08 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 2bj9 s LEU 88 Cb -0.08 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.51 2bj9 s LEU 88 CO -0.09 0.11 -0.23 -2.28 -1.32 0.00 0.00 176.35 172.54 2bj9 s HIS 89 N 0.77 2.44 -0.17 5.38 5.65 -1.26 -0.29 115.29 127.80 2bj9 s HIS 89 Ca 0.08 -0.97 0.01 0.00 0.25 0.00 0.00 55.06 54.43 2bj9 s HIS 89 Cb -0.12 -1.64 0.03 0.00 -1.18 0.00 0.00 32.58 29.67 2bj9 s HIS 89 CO 0.02 -0.39 -0.14 0.08 -0.65 0.00 0.00 174.74 173.66 2bj9 s VAL 90 N 0.32 1.71 -0.49 0.89 1.01 0.36 -4.99 120.40 119.21 2bj9 s VAL 90 Ca -0.17 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 2bj9 s VAL 90 Cb -0.17 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.56 2bj9 s VAL 90 CO 0.08 0.36 1.50 -1.00 0.00 0.00 0.00 175.10 176.04 2bj9 s HIS 91 N 1.41 2.21 0.15 5.22 3.76 -1.26 -1.41 115.29 125.36 2bj9 s HIS 91 Ca 0.02 0.59 -0.08 0.00 -0.15 0.00 0.00 55.06 55.44 2bj9 s HIS 91 Cb -0.14 -4.31 -0.02 0.00 1.11 0.00 0.00 32.58 29.22 2bj9 s HIS 91 CO -0.10 -2.12 1.42 0.52 -0.85 0.00 0.00 174.74 173.61 2bj9 h MET 92 N 11.51 0.72 0.00 1.40 2.86 -1.46 -3.49 114.93 126.47 2bj9 h MET 92 Ca -0.28 -0.49 0.00 0.00 -2.06 0.00 0.00 59.70 56.87 2bj9 h MET 92 Cb 1.11 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2bj9 h MET 92 CO 1.13 1.11 0.00 -0.40 1.06 0.00 0.00 176.91 179.81 2bj9 n ASP 93 N -3.96 0.00 -0.30 1.22 5.68 -0.99 -4.97 116.55 113.23 2bj9 n ASP 93 Ca -0.04 -0.62 0.13 0.00 -0.50 0.00 0.00 54.79 53.75 2bj9 n ASP 93 Cb 0.65 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.94 2bj9 n ASP 93 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2bj9 h GLU 94 N 0.00 0.34 0.00 0.11 4.81 -2.04 -3.30 114.58 114.50 2bj9 h GLU 94 Ca 0.00 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.03 2bj9 h GLU 94 Cb 0.00 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2bj9 h GLU 94 CO 0.00 0.22 -1.67 0.72 -0.73 0.00 0.00 179.01 177.56 2bj9 n HIS 95 N -5.09 0.00 -2.94 0.92 8.25 -1.26 -4.98 115.22 110.12 2bj9 n HIS 95 Ca 0.22 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.29 2bj9 n HIS 95 Cb 0.67 -0.45 -0.06 0.00 1.12 0.00 0.00 29.99 31.27 2bj9 n HIS 95 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2bj9 s ASN 96 N -4.94 7.43 0.16 0.41 0.01 -1.24 -1.56 114.94 115.20 2bj9 s ASN 96 Ca -0.14 1.69 0.08 0.00 -0.71 0.00 0.00 52.86 53.79 2bj9 s ASN 96 Cb 0.04 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 2bj9 s ASN 96 CO 0.29 0.19 -0.18 0.00 -1.51 0.00 0.00 177.10 175.89 2bj9 s LEU 98 N -2.65 1.62 -0.02 0.00 0.20 -0.50 -1.52 118.68 115.80 2bj9 s LEU 98 Ca 0.15 -0.34 0.04 0.00 0.69 0.00 0.00 54.13 54.67 2bj9 s LEU 98 Cb -0.06 -0.91 -0.00 0.00 -0.43 0.00 0.00 46.19 44.79 2bj9 s LEU 98 CO 0.06 0.02 -0.13 -0.70 -0.29 0.00 0.00 176.35 175.30 2bj9 s GLU 99 N 0.85 1.27 -0.11 1.98 2.12 0.39 -0.48 118.70 124.72 2bj9 s GLU 99 Ca -0.11 -0.47 0.03 0.00 0.36 0.00 0.00 54.97 54.78 2bj9 s GLU 99 Cb -0.15 -1.17 -0.00 0.00 0.26 0.00 0.00 34.13 33.06 2bj9 s GLU 99 CO 0.01 0.23 -0.21 0.08 -0.54 0.00 0.00 175.26 174.83 2bj9 s VAL 100 N -0.06 2.32 -0.16 3.70 1.01 0.60 0.37 120.40 128.17 2bj9 s VAL 100 Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2bj9 s VAL 100 Cb -0.08 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.39 2bj9 s VAL 100 CO 0.01 0.55 -0.17 -0.63 0.00 0.00 0.00 175.10 174.85 2bj9 s ILE 101 N 0.42 2.40 -0.10 2.22 1.01 -0.34 -0.10 121.20 126.72 2bj9 s ILE 101 Ca -0.15 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 59.48 2bj9 s ILE 101 Cb -0.17 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 2bj9 s ILE 101 CO 0.07 0.52 0.46 -0.69 0.00 0.00 0.00 174.94 175.29 2bj9 s VAL 102 N 1.02 5.16 0.11 2.92 1.01 -0.20 -0.33 120.40 130.09 2bj9 s VAL 102 Ca -0.02 0.91 0.02 0.00 0.00 0.00 0.00 61.98 62.90 2bj9 s VAL 102 Cb -0.15 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2bj9 s VAL 102 CO -0.05 0.38 -0.07 0.68 0.00 0.00 0.00 175.10 176.03 2bj9 s VAL 103 N 0.31 0.80 -0.12 2.92 -7.23 0.42 -1.41 120.40 116.08 2bj9 s VAL 103 Ca 0.25 -1.93 -0.10 0.00 -1.81 0.00 0.00 61.98 58.40 2bj9 s VAL 103 Cb -0.15 -1.67 0.04 0.00 0.56 0.00 0.00 36.38 35.15 2bj9 s VAL 103 CO 0.10 -0.82 0.32 -1.59 -0.31 0.00 0.00 175.10 172.80 2bj9 s LYS 104 N -3.71 0.34 0.00 4.82 -2.85 0.20 0.78 119.74 119.33 2bj9 s LYS 104 Ca 0.12 0.51 0.00 0.00 -1.00 0.00 0.00 55.97 55.60 2bj9 s LYS 104 Cb 0.04 0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 2bj9 s LYS 104 CO -0.03 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.74 2bj9 n GLY 105 N 3.35 -0.75 3.64 0.59 0.00 -0.10 -4.20 105.19 107.73 2bj9 n GLY 105 Ca -0.17 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 2bj9 n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bj9 s GLU 106 N -1.55 3.90 0.38 1.61 2.02 -1.26 -0.28 118.70 123.53 2bj9 s GLU 106 Ca 0.00 1.69 0.29 0.00 0.02 0.00 0.00 54.97 56.97 2bj9 s GLU 106 Cb 0.00 -3.98 1.29 0.00 0.10 0.00 0.00 34.13 31.54 2bj9 s GLU 106 CO 0.00 -1.16 1.33 0.00 0.02 0.00 0.00 175.26 175.45 2bj9 n ALA 107 N 8.00 1.21 -0.05 5.21 0.00 -0.55 0.12 120.51 134.44 2bj9 n ALA 107 Ca 0.18 0.72 -0.15 0.00 0.00 0.00 0.00 53.44 54.19 2bj9 n ALA 107 Cb 0.45 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 2bj9 n ALA 107 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2bj9 h LYS 108 N 0.00 0.54 -0.14 0.00 3.64 -1.80 -2.70 116.57 116.10 2bj9 h LYS 108 Ca 0.76 -0.36 -0.12 0.00 -1.27 0.00 0.00 60.65 59.65 2bj9 h LYS 108 Cb 2.50 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 34.36 2bj9 h LYS 108 CO -0.36 0.97 -0.44 -0.22 -2.27 0.00 0.00 179.45 177.13 2bj9 h LYS 109 N 0.17 0.34 -0.42 1.90 3.64 0.52 -2.80 116.57 119.93 2bj9 h LYS 109 Ca -0.00 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.15 2bj9 h LYS 109 Cb 0.97 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 2bj9 h LYS 109 CO 0.08 0.72 0.04 0.82 -2.27 0.00 0.00 179.45 178.85 2bj9 h ILE 110 N 0.28 1.25 -0.30 2.00 1.08 -1.15 -2.21 117.51 118.46 2bj9 h ILE 110 Ca 0.02 -0.93 -0.02 0.00 -0.39 0.00 0.00 64.86 63.53 2bj9 h ILE 110 Cb 0.89 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.66 2bj9 h ILE 110 CO 0.07 0.32 0.08 0.50 -0.69 0.00 0.00 178.15 178.43 2bj9 h LYS 111 N 0.56 0.43 -0.50 2.37 1.63 -1.41 -1.00 116.57 118.65 2bj9 h LYS 111 Ca 0.12 -0.06 -0.13 0.00 -0.85 0.00 0.00 60.65 59.74 2bj9 h LYS 111 Cb 0.41 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 2bj9 h LYS 111 CO 0.01 0.39 -0.18 1.98 -3.45 0.00 0.00 179.45 178.20 2bj9 h MET 112 N 0.42 0.99 0.01 1.90 4.05 -1.19 -2.17 114.93 118.95 2bj9 h MET 112 Ca 0.10 -0.40 -0.00 0.00 -0.28 0.00 0.00 59.70 59.12 2bj9 h MET 112 Cb 0.16 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 2bj9 h MET 112 CO -0.00 1.08 -0.01 0.82 0.23 0.00 0.00 176.91 179.03 2bj9 h ILE 113 N 0.86 1.32 -0.78 1.77 2.04 -0.88 -2.09 117.51 119.76 2bj9 h ILE 113 Ca 0.12 -1.03 0.13 0.00 1.00 0.00 0.00 64.86 65.08 2bj9 h ILE 113 Cb 0.75 2.02 -0.09 0.00 -0.74 0.00 0.00 36.82 38.76 2bj9 h ILE 113 CO 0.06 0.26 0.36 0.00 0.00 0.00 0.00 178.15 178.83 2bj9 h ALA 114 N 0.51 1.12 -0.46 1.87 0.00 -1.17 -0.06 119.26 121.08 2bj9 h ALA 114 Ca -0.00 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2bj9 h ALA 114 Cb 0.45 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2bj9 h ALA 114 CO 0.00 -0.14 -0.26 -0.44 0.00 0.00 0.00 179.25 178.42 2bj9 h ASP 115 N 0.54 1.02 0.22 0.00 3.32 -1.38 -0.44 116.42 119.70 2bj9 h ASP 115 Ca 0.42 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2bj9 h ASP 115 Cb 0.59 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2bj9 h ASP 115 CO -0.36 1.21 -0.12 0.11 -1.72 0.00 0.00 179.24 178.36 2bj9 h LYS 116 N 0.84 0.00 0.03 3.56 1.79 -0.47 -2.07 116.57 120.25 2bj9 h LYS 116 Ca 0.10 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2bj9 h LYS 116 Cb 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2bj9 h LYS 116 CO 0.07 0.12 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.48 2bj9 h LEU 117 N 0.00 -0.04 -1.56 2.94 3.38 -0.50 -3.28 115.31 116.26 2bj9 h LEU 117 Ca -0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 2bj9 h LEU 117 Cb 0.26 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2bj9 h LEU 117 CO 0.02 0.08 0.67 -0.07 0.09 0.00 0.00 178.44 179.23 2bj9 h LEU 118 N -0.26 0.00 0.00 1.67 4.07 -1.10 0.17 115.31 119.86 2bj9 h LEU 118 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2bj9 h LEU 118 Cb 0.04 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 2bj9 h LEU 118 CO 0.01 0.00 -0.56 0.77 -1.08 0.00 0.00 178.44 177.58 2bj9 h SER 119 N 0.00 0.00 -3.31 -0.43 4.64 -1.50 -3.46 113.55 109.50 2bj9 h SER 119 Ca 0.21 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.96 2bj9 h SER 119 Cb 1.56 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.78 2bj9 h SER 119 CO -0.00 0.03 0.32 0.18 -0.87 0.00 0.00 176.83 176.48 2bj9 n LEU 120 N -2.89 3.35 -4.71 5.97 4.77 0.05 -4.90 117.00 118.65 2bj9 n LEU 120 Ca 0.02 1.06 -0.42 0.00 -0.03 0.00 0.00 56.01 56.63 2bj9 n LEU 120 Cb 0.55 -1.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.19 2bj9 n LEU 120 CO 0.37 -1.11 0.95 -0.75 -1.33 0.00 0.00 177.39 175.53 2bj9 s LYS 121 N -2.15 4.38 0.00 3.23 2.20 -1.26 -2.79 119.74 123.35 2bj9 s LYS 121 Ca 0.63 1.83 0.00 0.00 -0.36 0.00 0.00 55.97 58.07 2bj9 s LYS 121 Cb -0.53 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 2bj9 s LYS 121 CO 0.57 -0.36 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 2bj9 n GLY 122 N 3.34 2.17 3.40 5.54 0.00 -1.26 -4.38 105.19 114.01 2bj9 n GLY 122 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 2bj9 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bj9 s VAL 123 N -2.09 4.74 0.28 1.61 1.01 -1.12 -3.12 120.40 121.72 2bj9 s VAL 123 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 2bj9 s VAL 123 Cb 0.00 -4.48 0.15 0.00 0.00 0.00 0.00 36.38 32.04 2bj9 s VAL 123 CO 0.00 -1.11 1.82 0.11 0.00 0.00 0.00 175.10 175.91 2bj9 h LYS 124 N 9.21 0.79 -2.53 2.72 1.79 -1.22 -3.47 116.57 123.86 2bj9 h LYS 124 Ca -0.29 -0.17 0.11 0.00 -2.18 0.00 0.00 60.65 58.12 2bj9 h LYS 124 Cb 1.09 -0.11 -0.10 0.00 -1.58 0.00 0.00 32.23 31.52 2bj9 h LYS 124 CO 1.09 0.74 0.40 -1.58 -1.08 0.00 0.00 179.45 179.02 2bj9 s HIS 125 N -5.13 -0.25 0.00 -1.35 2.46 -1.11 -5.00 115.29 104.90 2bj9 s HIS 125 Ca -0.09 -0.02 0.00 0.00 0.47 0.00 0.00 55.06 55.41 2bj9 s HIS 125 Cb 0.15 0.61 0.00 0.00 -0.13 0.00 0.00 32.58 33.22 2bj9 s HIS 125 CO 0.80 -0.83 0.00 0.41 -2.47 0.00 0.00 174.74 172.65 2bj9 n GLY 126 N -0.40 1.70 3.21 1.59 0.00 -1.26 -0.89 105.19 109.14 2bj9 n GLY 126 Ca -0.08 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 2bj9 n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bj9 s LYS 127 N -2.00 0.66 0.11 1.61 -0.14 -0.54 -4.99 119.74 114.45 2bj9 s LYS 127 Ca 0.00 -0.29 0.03 0.00 -1.36 0.00 0.00 55.97 54.35 2bj9 s LYS 127 Cb 0.00 0.29 -0.04 0.00 -1.68 0.00 0.00 37.83 36.40 2bj9 s LYS 127 CO 0.00 -0.18 0.15 -1.17 -0.76 0.00 0.00 175.35 173.39 2bj9 s LEU 128 N -1.47 3.98 -0.16 3.17 2.96 -1.26 -1.56 118.68 124.34 2bj9 s LEU 128 Ca -0.12 0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.78 2bj9 s LEU 128 Cb -0.05 -2.61 0.07 0.00 0.50 0.00 0.00 46.19 44.10 2bj9 s LEU 128 CO 0.03 0.12 0.14 -0.69 -1.32 0.00 0.00 176.35 174.63 2bj9 s VAL 129 N -1.56 -0.20 0.14 1.68 1.01 -0.65 -4.98 120.40 115.84 2bj9 s VAL 129 Ca 0.32 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.31 2bj9 s VAL 129 Cb -0.12 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2bj9 s VAL 129 CO 0.24 -0.17 0.01 -0.04 0.00 0.00 0.00 175.10 175.14 2bj9 s MET 130 N 2.23 2.48 -0.28 2.72 -1.94 -1.26 -1.39 119.30 121.86 2bj9 s MET 130 Ca 0.04 -1.00 -0.21 0.00 -1.71 0.00 0.00 55.69 52.82 2bj9 s MET 130 Cb -0.15 -2.44 0.09 0.00 2.01 0.00 0.00 34.83 34.34 2bj9 s MET 130 CO -0.09 0.49 0.80 -0.08 -0.01 0.00 0.00 175.02 176.12 2bj9 s THR 131 N -1.58 0.00 -0.52 2.05 -1.32 -0.92 -4.99 115.64 108.36 2bj9 s THR 131 Ca 0.27 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.53 2bj9 s THR 131 Cb -0.10 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.93 2bj9 s THR 131 CO 0.19 0.00 0.82 -0.55 -2.21 0.00 0.00 174.62 172.87 2bj9 s SER 132 N 0.93 6.31 1.01 8.08 0.15 -1.26 -2.13 113.70 126.80 2bj9 s SER 132 Ca -0.04 -0.49 -0.22 0.00 0.70 0.00 0.00 55.95 55.90 2bj9 s SER 132 Cb -0.05 -2.38 -0.06 0.00 -1.71 0.00 0.00 66.02 61.81 2bj9 s SER 132 CO -0.10 -1.08 -0.84 0.35 1.20 0.00 0.00 173.24 172.77 2bj9 n THR 133 N 6.01 0.00 0.00 6.45 -2.24 -1.26 -5.05 114.28 118.19 2bj9 n THR 133 Ca -0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2bj9 n THR 133 Cb 0.47 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 2bj9 n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11