#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hjm n HIS -4 N 0.00 -2.78 -2.31 1.57 -0.00 -1.26 -5.15 115.22 105.29 2hjm n HIS -4 Ca 0.00 -2.11 -0.39 0.00 -0.00 0.00 0.00 57.72 55.22 2hjm n HIS -4 Cb 0.00 1.61 -0.03 0.00 -0.00 0.00 0.00 29.99 31.58 2hjm n HIS -4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2hjm s HIS -3 N 0.23 3.21 0.18 -1.40 0.09 -1.26 -5.05 115.29 111.29 2hjm s HIS -3 Ca 0.22 1.57 0.00 0.00 -0.00 0.00 0.00 55.06 56.85 2hjm s HIS -3 Cb 0.31 -3.42 -0.04 0.00 -0.00 0.00 0.00 32.58 29.43 2hjm s HIS -3 CO -0.06 -1.20 0.36 -1.01 -0.00 0.00 0.00 174.74 172.83 2hjm s HIS -2 N -1.29 3.48 0.06 1.40 4.02 -1.26 -5.09 115.29 116.60 2hjm s HIS -2 Ca 0.52 0.28 0.00 0.00 1.02 0.00 0.00 55.06 56.88 2hjm s HIS -2 Cb -0.33 -1.80 -0.04 0.00 -1.02 0.00 0.00 32.58 29.39 2hjm s HIS -2 CO 0.42 0.42 -0.04 -1.01 1.02 0.00 0.00 174.74 175.55 2hjm s HIS -1 N -1.82 0.58 0.00 1.40 3.76 -1.26 -4.71 115.29 113.24 2hjm s HIS -1 Ca 0.37 -0.89 0.00 0.00 -0.15 0.00 0.00 55.06 54.40 2hjm s HIS -1 Cb -0.11 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.19 2hjm s HIS -1 CO 0.29 -0.26 0.00 0.72 -0.85 0.00 0.00 174.74 174.64 2hjm n HIS 0 N 0.45 0.00 0.00 1.40 8.25 -1.26 -2.05 115.22 122.02 2hjm n HIS 0 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2hjm n HIS 0 Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 2hjm n HIS 0 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2hjm n ASP 2 N 0.00 0.00 -0.33 0.41 2.03 -1.26 -1.55 116.55 115.86 2hjm n ASP 2 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 2hjm n ASP 2 Cb 0.00 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.49 2hjm n ASP 2 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2hjm h LEU 3 N 0.00 1.03 0.13 -2.67 5.85 -1.69 0.34 115.31 118.29 2hjm h LEU 3 Ca 0.00 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2hjm h LEU 3 Cb 0.00 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 2hjm h LEU 3 CO 0.00 0.76 -0.19 0.58 -0.34 0.00 0.00 178.44 179.25 2hjm h VAL 4 N 1.21 0.56 -0.88 1.05 2.07 -1.55 -1.32 116.25 117.39 2hjm h VAL 4 Ca 0.32 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.98 2hjm h VAL 4 Cb -0.11 0.56 -0.09 0.00 -1.52 0.00 0.00 31.29 30.14 2hjm h VAL 4 CO -0.07 0.00 0.49 -0.08 0.02 0.00 0.00 177.57 177.93 2hjm h GLU 5 N -0.38 0.70 0.58 1.57 4.57 -1.47 -1.10 114.58 119.05 2hjm h GLU 5 Ca 0.02 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2hjm h GLU 5 Cb 0.39 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2hjm h GLU 5 CO -0.09 0.46 -0.36 0.87 -1.18 0.00 0.00 179.01 178.71 2hjm h LYS 6 N 0.72 -0.86 -0.73 1.92 1.79 0.40 -1.68 116.57 118.13 2hjm h LYS 6 Ca 0.46 0.06 0.16 0.00 -2.18 0.00 0.00 60.65 59.15 2hjm h LYS 6 Cb 0.59 0.20 -0.13 0.00 -1.58 0.00 0.00 32.23 31.30 2hjm h LYS 6 CO -0.32 -0.57 -0.02 0.28 -1.08 0.00 0.00 179.45 177.73 2hjm h VAL 7 N -0.89 0.35 -0.30 0.50 2.07 -0.14 0.24 116.25 118.08 2hjm h VAL 7 Ca -0.07 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2hjm h VAL 7 Cb 0.73 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2hjm h VAL 7 CO 0.07 0.02 0.13 0.11 0.02 0.00 0.00 177.57 177.91 2hjm h LYS 8 N 0.09 0.26 0.16 1.57 1.57 -1.07 -1.92 116.57 117.24 2hjm h LYS 8 Ca 0.39 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.17 2hjm h LYS 8 Cb 0.67 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 2hjm h LYS 8 CO -0.66 0.17 -0.51 1.49 -0.57 0.00 0.00 179.45 179.37 2hjm h GLU 9 N 0.27 -0.75 -1.06 3.15 4.81 0.33 -0.82 114.58 120.51 2hjm h GLU 9 Ca 0.13 0.05 0.33 0.00 -0.13 0.00 0.00 59.36 59.74 2hjm h GLU 9 Cb 0.07 0.17 -0.14 0.00 0.63 0.00 0.00 28.75 29.48 2hjm h GLU 9 CO -0.11 -0.50 0.63 1.25 -0.73 0.00 0.00 179.01 179.55 2hjm h LEU 10 N -0.77 0.47 -1.24 1.64 5.85 -0.61 1.03 115.31 121.68 2hjm h LEU 10 Ca -0.01 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2hjm h LEU 10 Cb 0.77 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2hjm h LEU 10 CO -0.26 -0.11 0.19 0.00 -0.34 0.00 0.00 178.44 177.92 2hjm h LEU 12 N 0.71 -0.03 0.00 0.00 3.38 0.16 -0.93 115.31 118.60 2hjm h LEU 12 Ca 0.17 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2hjm h LEU 12 Cb 0.16 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2hjm h LEU 12 CO -0.01 0.43 0.02 -0.62 0.09 0.00 0.00 178.44 178.34 2hjm n GLU 13 N -4.89 0.00 -0.01 1.13 1.02 -0.43 0.14 120.64 117.60 2hjm n GLU 13 Ca -0.08 0.15 0.01 0.00 -0.02 0.00 0.00 57.16 57.21 2hjm n GLU 13 Cb 0.24 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 30.15 2hjm n GLU 13 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2hjm n LEU 14 N -1.10 1.45 0.00 -4.62 4.77 -0.91 -4.98 117.00 111.61 2hjm n LEU 14 Ca 0.00 -1.29 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 2hjm n LEU 14 Cb 0.02 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2hjm n LEU 14 CO 0.00 0.35 0.00 -1.84 -1.33 0.00 0.00 177.39 174.57 2hjm n GLU 15 N -0.02 0.00 -1.55 3.23 -0.00 0.12 -4.94 120.64 117.48 2hjm n GLU 15 Ca 0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 57.16 56.89 2hjm n GLU 15 Cb 0.12 -0.15 -0.04 0.00 -0.00 0.00 0.00 31.44 31.36 2hjm n GLU 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2hjm n GLU 16 N -0.41 0.88 -0.11 3.44 4.07 -0.40 -4.73 120.64 123.38 2hjm n GLU 16 Ca 0.00 -0.29 -0.21 0.00 -0.06 0.00 0.00 57.16 56.60 2hjm n GLU 16 Cb 0.00 -3.53 -0.08 0.00 -0.06 0.00 0.00 31.44 27.77 2hjm n GLU 16 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2hjm n GLU 17 N 8.94 0.56 0.14 5.31 0.28 -1.26 -3.69 120.64 130.92 2hjm n GLU 17 Ca 0.40 0.35 0.19 0.00 -0.16 0.00 0.00 57.16 57.95 2hjm n GLU 17 Cb 0.51 -1.56 0.78 0.00 1.43 0.00 0.00 31.44 32.60 2hjm n GLU 17 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 2hjm h ASN 18 N -1.00 0.00 -0.02 -1.84 -1.07 -1.97 0.68 115.58 110.37 2hjm h ASN 18 Ca -0.40 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 55.95 2hjm h ASN 18 Cb 1.29 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.54 2hjm h ASN 18 CO -0.24 0.00 -0.07 0.25 0.07 0.00 0.00 177.43 177.44 2hjm h LEU 19 N 0.00 0.08 -1.27 6.14 5.85 -1.95 0.22 115.31 124.38 2hjm h LEU 19 Ca 0.15 -0.65 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 2hjm h LEU 19 Cb 0.86 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 2hjm h LEU 19 CO -0.00 0.72 0.15 0.00 -0.34 0.00 0.00 178.44 178.97 2hjm h ALA 20 N 0.36 1.42 -0.24 1.25 0.00 -0.84 -0.72 119.26 120.49 2hjm h ALA 20 Ca -0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2hjm h ALA 20 Cb 0.72 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2hjm h ALA 20 CO 0.01 0.43 -0.36 1.57 0.00 0.00 0.00 179.25 180.91 2hjm h LYS 21 N 0.64 0.53 -0.42 0.00 5.09 0.33 -3.11 116.57 119.63 2hjm h LYS 21 Ca 0.15 -0.25 -0.03 0.00 0.09 0.00 0.00 60.65 60.61 2hjm h LYS 21 Cb 0.18 -0.01 -0.02 0.00 0.10 0.00 0.00 32.23 32.49 2hjm h LYS 21 CO -0.01 0.82 0.15 0.00 -2.09 0.00 0.00 179.45 178.32 2hjm h ALA 22 N 1.16 0.55 0.10 0.07 0.00 0.83 -2.26 119.26 119.71 2hjm h ALA 22 Ca 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2hjm h ALA 22 Cb 0.83 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2hjm h ALA 22 CO 0.07 0.17 -0.41 0.82 0.00 0.00 0.00 179.25 179.90 2hjm h ILE 23 N 0.54 0.16 -0.55 0.00 2.04 -1.18 0.27 117.51 118.79 2hjm h ILE 23 Ca 0.14 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.11 2hjm h ILE 23 Cb 0.23 0.16 -0.10 0.00 -0.74 0.00 0.00 36.82 36.37 2hjm h ILE 23 CO -0.01 0.00 -0.08 -0.33 0.00 0.00 0.00 178.15 177.73 2hjm h GLU 24 N -0.64 0.04 -0.71 2.37 5.08 -1.50 0.74 114.58 119.96 2hjm h GLU 24 Ca 0.03 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 2hjm h GLU 24 Cb 0.67 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.83 2hjm h GLU 24 CO -0.25 0.03 0.32 0.00 -1.00 0.00 0.00 179.01 178.10 2hjm h ARG 25 N 0.04 0.50 0.21 2.33 3.08 -0.68 0.24 114.38 120.09 2hjm h ARG 25 Ca 0.27 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 2hjm h ARG 25 Cb 0.43 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2hjm h ARG 25 CO -0.53 0.33 -0.10 0.35 -1.07 0.00 0.00 179.97 178.95 2hjm h PHE 26 N 0.52 -0.26 -0.88 3.04 3.04 0.38 -1.79 116.94 120.99 2hjm h PHE 26 Ca 0.37 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.40 2hjm h PHE 26 Cb 0.47 0.09 -0.06 0.00 2.56 0.00 0.00 35.95 39.00 2hjm h PHE 26 CO -0.14 0.08 0.57 0.82 -2.02 0.00 0.00 178.31 177.62 2hjm h ILE 27 N -0.62 1.01 0.55 1.41 1.08 0.34 -2.88 117.51 118.40 2hjm h ILE 27 Ca -0.03 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 64.10 2hjm h ILE 27 Cb 0.45 0.01 0.01 0.00 -3.07 0.00 0.00 36.82 34.21 2hjm h ILE 27 CO 0.05 0.17 -0.26 0.74 -0.69 0.00 0.00 178.15 178.15 2hjm h THR 28 N 0.92 0.25 0.00 -0.27 2.02 -0.92 -3.04 112.91 111.87 2hjm h THR 28 Ca 0.39 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2hjm h THR 28 Cb 0.32 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2hjm h THR 28 CO -0.16 0.04 0.00 0.18 0.37 0.00 0.00 175.52 175.95 2hjm n LEU 29 N -5.30 0.35 -1.36 2.58 4.32 -0.68 -2.10 117.00 114.81 2hjm n LEU 29 Ca -0.11 -0.17 0.01 0.00 -0.02 0.00 0.00 56.01 55.72 2hjm n LEU 29 Cb 0.33 -0.12 -0.00 0.00 -1.62 0.00 0.00 43.42 42.01 2hjm n LEU 29 CO 0.29 0.07 0.14 0.35 -1.22 0.00 0.00 177.39 177.02 2hjm n THR 30 N 0.50 0.00 0.09 -5.08 -2.24 -1.15 -4.93 114.28 101.48 2hjm n THR 30 Ca 0.00 -0.73 -0.22 0.00 -2.27 0.00 0.00 64.05 60.83 2hjm n THR 30 Cb 0.07 0.86 -0.15 0.00 -2.10 0.00 0.00 70.33 69.02 2hjm n THR 30 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2hjm h HIS 31 N 0.73 0.83 0.00 4.78 -0.00 -1.50 -3.34 115.15 116.65 2hjm h HIS 31 Ca -0.31 -0.58 -0.05 0.00 -0.00 0.00 0.00 60.37 59.43 2hjm h HIS 31 Cb 1.77 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 29.12 2hjm h HIS 31 CO 0.08 1.44 -0.24 0.78 -0.00 0.00 0.00 177.93 179.99 2hjm h GLY 32 N -0.01 0.00 -0.88 2.45 0.00 -1.92 -3.18 103.07 99.53 2hjm h GLY 32 Ca -0.19 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.38 2hjm h GLY 32 CO 0.22 0.00 -0.03 0.16 0.00 0.00 0.00 176.54 176.89 2hjm h ILE 33 N 0.00 0.06 -0.76 2.60 3.07 -1.95 0.84 117.51 121.38 2hjm h ILE 33 Ca -0.00 -0.01 0.11 0.00 1.55 0.00 0.00 64.86 66.51 2hjm h ILE 33 Cb 0.44 0.04 -0.08 0.00 -0.27 0.00 0.00 36.82 36.95 2hjm h ILE 33 CO 0.03 0.00 0.38 -0.08 -1.05 0.00 0.00 178.15 177.44 2hjm h GLU 34 N 0.02 0.60 0.21 0.16 4.81 -1.67 0.76 114.58 119.47 2hjm h GLU 34 Ca 0.55 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 2hjm h GLU 34 Cb 1.05 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 2hjm h GLU 34 CO -0.91 0.40 -0.22 0.87 -0.73 0.00 0.00 179.01 178.42 2hjm h LYS 35 N 0.62 -0.44 0.18 1.92 1.57 0.50 0.44 116.57 121.36 2hjm h LYS 35 Ca 0.39 0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.88 2hjm h LYS 35 Cb 0.45 0.10 0.02 0.00 0.08 0.00 0.00 32.23 32.88 2hjm h LYS 35 CO -0.30 -0.30 -1.44 1.79 -0.57 0.00 0.00 179.45 178.64 2hjm h THR 36 N -0.46 1.30 0.00 -0.16 1.35 -0.88 -3.39 112.91 110.67 2hjm h THR 36 Ca 0.00 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.04 2hjm h THR 36 Cb 0.44 2.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 2hjm h THR 36 CO -0.06 0.85 -0.75 0.54 -0.25 0.00 0.00 175.52 175.85 2hjm n ARG 37 N -3.60 2.81 0.00 4.72 5.12 0.26 -5.10 116.66 120.87 2hjm n ARG 37 Ca -0.15 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 2hjm n ARG 37 Cb 1.07 -1.02 0.00 0.00 -1.16 0.00 0.00 32.46 31.34 2hjm n ARG 37 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hjm n GLY 38 N 1.46 -3.01 0.12 -0.13 0.00 0.14 -4.58 105.19 99.19 2hjm n GLY 38 Ca 0.01 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 2hjm n GLY 38 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2hjm h GLU 39 N 1.31 -0.17 -0.40 1.61 4.81 -1.90 -2.71 114.58 117.12 2hjm h GLU 39 Ca 0.00 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 2hjm h GLU 39 Cb 0.00 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.34 2hjm h GLU 39 CO 0.00 0.29 -0.11 0.00 -0.73 0.00 0.00 179.01 178.46 2hjm h ALA 40 N -0.19 0.25 -0.48 2.92 0.00 -1.90 0.53 119.26 120.39 2hjm h ALA 40 Ca -0.02 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2hjm h ALA 40 Cb 0.54 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2hjm h ALA 40 CO 0.03 -0.46 0.26 0.35 0.00 0.00 0.00 179.25 179.43 2hjm h PHE 41 N -0.01 0.49 -0.25 0.00 3.04 -1.81 0.48 116.94 118.87 2hjm h PHE 41 Ca 0.19 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 2hjm h PHE 41 Cb 0.31 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 2hjm h PHE 41 CO -0.36 0.26 0.13 0.00 -2.02 0.00 0.00 178.31 176.32 2hjm h ALA 42 N 1.24 0.33 -0.31 2.41 0.00 -0.86 -2.09 119.26 119.98 2hjm h ALA 42 Ca 0.20 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2hjm h ALA 42 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2hjm h ALA 42 CO -0.12 -0.13 -0.15 0.87 0.00 0.00 0.00 179.25 179.72 2hjm h LYS 43 N 0.29 0.54 0.00 0.00 1.57 0.45 -2.42 116.57 117.00 2hjm h LYS 43 Ca 0.09 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 2hjm h LYS 43 Cb 0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2hjm h LYS 43 CO -0.01 0.67 -0.37 0.00 -0.57 0.00 0.00 179.45 179.17 2hjm h ALA 44 N 1.35 1.27 0.01 3.86 0.00 0.24 0.47 119.26 126.46 2hjm h ALA 44 Ca 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2hjm h ALA 44 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2hjm h ALA 44 CO 0.03 0.46 -0.05 0.77 0.00 0.00 0.00 179.25 180.46 2hjm h SER 45 N 0.00 0.03 -0.13 0.00 0.02 -1.13 -2.58 113.55 109.77 2hjm h SER 45 Ca -0.00 -0.93 -0.01 0.00 -0.84 0.00 0.00 61.79 60.01 2hjm h SER 45 Cb 0.70 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2hjm h SER 45 CO 0.05 0.96 0.06 0.40 -1.14 0.00 0.00 176.83 177.16 2hjm h ILE 46 N -0.89 1.13 -0.49 3.27 2.04 -1.39 -1.34 117.51 119.84 2hjm h ILE 46 Ca -0.01 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 2hjm h ILE 46 Cb 0.98 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2hjm h ILE 46 CO 0.01 0.12 0.29 1.88 0.00 0.00 0.00 178.15 180.44 2hjm h TYR 47 N 0.07 0.66 -0.95 1.37 0.99 -1.04 0.10 116.97 118.17 2hjm h TYR 47 Ca 0.04 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.79 2hjm h TYR 47 Cb 0.14 -0.21 -0.05 0.00 1.00 0.00 0.00 36.73 37.60 2hjm h TYR 47 CO -0.02 0.47 0.63 0.78 -0.00 0.00 0.00 178.16 180.02 2hjm h GLY 48 N 0.65 1.35 0.99 3.88 0.00 -1.38 0.03 103.07 108.60 2hjm h GLY 48 Ca 0.18 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2hjm h GLY 48 CO -0.03 0.46 0.33 -2.75 0.00 0.00 0.00 176.54 174.55 2hjm h PHE 49 N 1.25 0.83 -0.35 5.60 3.04 -0.30 -0.94 116.94 126.07 2hjm h PHE 49 Ca 0.36 -0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.19 2hjm h PHE 49 Cb -0.09 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.14 2hjm h PHE 49 CO -0.00 0.60 -0.19 -0.07 -2.02 0.00 0.00 178.31 176.64 2hjm h LEU 50 N 0.82 0.65 0.18 0.59 3.38 0.10 -1.74 115.31 119.29 2hjm h LEU 50 Ca 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2hjm h LEU 50 Cb 0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2hjm h LEU 50 CO -0.03 0.84 -0.11 -0.33 0.09 0.00 0.00 178.44 178.90 2hjm h GLU 51 N 0.58 -0.27 -0.74 1.13 5.08 -0.42 0.34 114.58 120.29 2hjm h GLU 51 Ca 0.09 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.60 2hjm h GLU 51 Cb 0.64 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.86 2hjm h GLU 51 CO 0.05 -0.18 0.30 0.78 -1.00 0.00 0.00 179.01 178.95 2hjm h GLY 52 N -0.28 1.11 0.77 -3.84 0.00 -0.95 0.45 103.07 100.32 2hjm h GLY 52 Ca -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 2hjm h GLY 52 CO 0.02 -0.08 -0.32 -2.22 0.00 0.00 0.00 176.54 173.95 2hjm h ILE 53 N 0.45 0.18 -0.62 2.60 2.04 -0.69 -2.61 117.51 118.85 2hjm h ILE 53 Ca 0.40 -0.29 0.18 0.00 1.00 0.00 0.00 64.86 66.15 2hjm h ILE 53 Cb 0.58 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2hjm h ILE 53 CO -0.38 0.02 0.46 -0.07 0.00 0.00 0.00 178.15 178.18 2hjm h LEU 54 N -1.13 0.00 0.08 1.44 3.38 0.23 -2.36 115.31 116.95 2hjm h LEU 54 Ca -0.09 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.66 2hjm h LEU 54 Cb 0.71 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.48 2hjm h LEU 54 CO 0.15 0.00 -0.92 0.74 0.09 0.00 0.00 178.44 178.50 2hjm h THR 55 N 0.00 1.39 0.00 0.22 2.02 -0.05 -2.61 112.91 113.87 2hjm h THR 55 Ca 0.30 -2.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.12 2hjm h THR 55 Cb 1.22 2.78 -0.00 0.00 -1.74 0.00 0.00 68.15 70.41 2hjm h THR 55 CO -0.00 0.69 -0.06 0.71 0.37 0.00 0.00 175.52 177.23 2hjm h THR 56 N -0.01 0.13 0.14 3.16 1.35 -1.04 -2.94 112.91 113.69 2hjm h THR 56 Ca -0.14 -0.80 -0.29 0.00 -0.55 0.00 0.00 66.41 64.63 2hjm h THR 56 Cb 1.64 1.71 0.02 0.00 -1.73 0.00 0.00 68.15 69.79 2hjm h THR 56 CO 0.18 0.06 -1.26 -0.07 -0.25 0.00 0.00 175.52 174.17 2hjm h LEU 57 N 0.00 0.61 -4.31 3.87 3.38 -1.51 -3.26 115.31 114.09 2hjm h LEU 57 Ca -0.00 -0.62 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 2hjm h LEU 57 Cb 0.71 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2hjm h LEU 57 CO 0.01 1.46 0.17 0.29 0.09 0.00 0.00 178.44 180.46 2hjm n LYS 58 N -3.65 0.25 0.00 1.13 4.76 -0.98 -0.70 118.16 118.97 2hjm n LYS 58 Ca -0.11 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 2hjm n LYS 58 Cb 1.01 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 2hjm n LYS 58 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2hjm n LYS 60 N 2.40 0.00 -4.15 1.97 -0.00 -1.23 -4.87 118.16 112.27 2hjm n LYS 60 Ca 0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.06 2hjm n LYS 60 Cb 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.13 2hjm n LYS 60 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2hjm s TYR 61 N 0.00 1.54 0.00 5.58 1.51 0.12 -5.07 117.35 121.03 2hjm s TYR 61 Ca 0.00 -0.92 0.00 0.00 -1.01 0.00 0.00 57.07 55.14 2hjm s TYR 61 Cb 0.00 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.05 2hjm s TYR 61 CO 0.00 -0.34 0.00 -1.13 -1.11 0.00 0.00 175.55 172.97 2hjm n SER 62 N -1.68 1.80 -3.80 2.29 3.41 -1.26 -5.06 113.62 109.31 2hjm n SER 62 Ca -0.08 -0.25 -0.54 0.00 -0.26 0.00 0.00 58.87 57.74 2hjm n SER 62 Cb 0.65 0.86 -0.09 0.00 -0.26 0.00 0.00 64.21 65.37 2hjm n SER 62 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2hjm n ASN 63 N -1.04 0.83 -0.01 4.04 4.05 -1.26 -4.79 115.26 117.08 2hjm n ASN 63 Ca 0.00 0.80 0.23 0.00 0.45 0.00 0.00 54.58 56.05 2hjm n ASN 63 Cb 0.00 -0.75 0.72 0.00 1.23 0.00 0.00 39.78 40.98 2hjm n ASN 63 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 2hjm h GLU 64 N 5.83 0.00 -0.45 1.20 -0.00 -2.02 0.43 114.58 119.57 2hjm h GLU 64 Ca -0.23 0.00 0.13 0.00 -0.00 0.00 0.00 59.36 59.26 2hjm h GLU 64 Cb 1.18 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.91 2hjm h GLU 64 CO 0.87 0.00 0.32 1.57 -0.00 0.00 0.00 179.01 181.77 2hjm h LYS 65 N 0.00 0.00 0.59 1.06 2.10 -1.99 -1.75 116.57 116.59 2hjm h LYS 65 Ca 0.28 -0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.90 2hjm h LYS 65 Cb 1.25 -0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.59 2hjm h LYS 65 CO -0.00 0.00 -0.29 0.82 -2.00 0.00 0.00 179.45 177.98 2hjm h ILE 66 N 0.00 0.35 -0.29 0.07 2.04 -1.25 0.78 117.51 119.22 2hjm h ILE 66 Ca 0.21 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2hjm h ILE 66 Cb 0.85 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2hjm h ILE 66 CO -0.00 0.03 0.15 -0.33 0.00 0.00 0.00 178.15 177.99 2hjm h GLU 67 N -0.95 0.41 -0.54 2.37 5.08 -1.62 0.73 114.58 120.07 2hjm h GLU 67 Ca -0.08 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.32 2hjm h GLU 67 Cb 0.66 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 2hjm h GLU 67 CO 0.13 0.38 0.09 1.79 -1.00 0.00 0.00 179.01 180.40 2hjm h THR 68 N 0.34 0.66 -0.41 1.13 1.35 -1.33 0.19 112.91 114.85 2hjm h THR 68 Ca 0.10 -0.07 -0.13 0.00 -0.55 0.00 0.00 66.41 65.75 2hjm h THR 68 Cb 0.10 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 66.94 2hjm h THR 68 CO -0.01 0.04 -0.27 0.25 -0.25 0.00 0.00 175.52 175.28 2hjm h LEU 69 N 0.21 0.94 -0.58 3.87 5.85 -0.24 -3.07 115.31 122.29 2hjm h LEU 69 Ca 0.27 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2hjm h LEU 69 Cb 0.39 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 2hjm h LEU 69 CO -0.38 1.17 0.36 0.25 -0.34 0.00 0.00 178.44 179.50 2hjm h LEU 70 N 0.72 0.59 -0.49 2.25 5.85 0.15 -2.43 115.31 121.94 2hjm h LEU 70 Ca 0.08 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.89 2hjm h LEU 70 Cb 0.84 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 2hjm h LEU 70 CO 0.07 0.41 0.11 0.78 -0.34 0.00 0.00 178.44 179.47 2hjm h ASN 71 N 0.71 0.02 0.05 1.25 4.21 -0.58 -1.37 115.58 119.87 2hjm h ASN 71 Ca 0.23 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.83 2hjm h ASN 71 Cb 0.01 0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.32 2hjm h ASN 71 CO -0.10 0.04 -0.06 -0.33 -1.29 0.00 0.00 177.43 175.69 2hjm h GLU 72 N 0.24 -0.12 -0.56 0.81 5.08 -1.36 0.40 114.58 119.07 2hjm h GLU 72 Ca 0.25 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 2hjm h GLU 72 Cb 0.33 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 2hjm h GLU 72 CO -0.32 -0.08 0.29 0.28 -1.00 0.00 0.00 179.01 178.18 2hjm h VAL 73 N -0.13 0.95 -0.19 3.13 2.07 -1.28 0.61 116.25 121.41 2hjm h VAL 73 Ca 0.01 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.36 2hjm h VAL 73 Cb 0.13 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2hjm h VAL 73 CO -0.02 0.10 0.05 0.11 0.02 0.00 0.00 177.57 177.83 2hjm h LYS 74 N 0.55 0.13 -0.78 1.57 6.56 -0.83 0.29 116.57 124.07 2hjm h LYS 74 Ca 0.25 -0.01 0.06 0.00 -1.06 0.00 0.00 60.65 59.90 2hjm h LYS 74 Cb 0.16 -0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 31.73 2hjm h LYS 74 CO -0.17 0.09 0.46 1.15 -2.06 0.00 0.00 179.45 178.92 2hjm h THR 75 N 0.14 1.00 -0.32 -0.16 2.02 0.11 -1.55 112.91 114.15 2hjm h THR 75 Ca 0.08 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 2hjm h THR 75 Cb 0.07 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 2hjm h THR 75 CO -0.10 0.15 -0.23 0.00 0.37 0.00 0.00 175.52 175.71 2hjm h ALA 76 N 1.38 1.00 0.19 6.16 0.00 0.69 -2.16 119.26 126.53 2hjm h ALA 76 Ca 0.35 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2hjm h ALA 76 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2hjm h ALA 76 CO -0.18 0.59 -0.09 0.00 0.00 0.00 0.00 179.25 179.57 2hjm h ARG 77 N 0.55 -0.25 -0.65 0.00 3.08 -0.28 -1.32 114.38 115.51 2hjm h ARG 77 Ca 0.08 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.22 2hjm h ARG 77 Cb 0.69 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.74 2hjm h ARG 77 CO 0.05 -0.07 0.31 0.93 -1.07 0.00 0.00 179.97 180.13 2hjm h GLU 78 N -0.39 0.55 -0.51 0.04 5.08 -1.20 0.35 114.58 118.50 2hjm h GLU 78 Ca -0.03 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2hjm h GLU 78 Cb 0.30 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2hjm h GLU 78 CO 0.04 0.36 0.14 1.49 -1.00 0.00 0.00 179.01 180.04 2hjm h GLU 79 N 0.56 0.81 -0.83 2.33 4.57 -1.26 -2.11 114.58 118.65 2hjm h GLU 79 Ca 0.31 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.34 2hjm h GLU 79 Cb 0.29 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.72 2hjm h GLU 79 CO -0.24 0.77 0.53 1.15 -1.18 0.00 0.00 179.01 180.04 2hjm h THR 80 N 0.70 1.13 0.00 0.32 2.02 -0.33 -2.64 112.91 114.11 2hjm h THR 80 Ca 0.16 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2hjm h THR 80 Cb 0.31 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2hjm h THR 80 CO -0.00 0.19 -0.11 1.05 0.37 0.00 0.00 175.52 177.02 2hjm h GLU 81 N 1.04 0.00 -7.07 6.66 4.11 -0.79 -3.46 114.58 115.07 2hjm h GLU 81 Ca 0.33 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 59.25 2hjm h GLU 81 Cb 0.01 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.35 2hjm h GLU 81 CO -0.12 0.00 0.47 0.00 0.07 0.00 0.00 179.01 179.44 2hjm s ALA 82 N -3.17 2.71 0.48 1.06 0.00 -0.81 -5.05 121.76 116.99 2hjm s ALA 82 Ca 0.08 0.95 0.03 0.00 0.00 0.00 0.00 51.96 53.02 2hjm s ALA 82 Cb 0.09 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 2hjm s ALA 82 CO 0.65 -0.93 0.02 -0.51 0.00 0.00 0.00 175.76 174.99 2hjm s LEU 83 N -3.70 2.49 -0.54 0.00 1.43 -1.26 -5.02 118.68 112.08 2hjm s LEU 83 Ca 0.72 -1.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.30 2hjm s LEU 83 Cb -0.28 -0.81 0.42 0.00 0.03 0.00 0.00 46.19 45.55 2hjm s LEU 83 CO 0.32 -0.74 1.55 0.18 0.23 0.00 0.00 176.35 177.89 2hjm n LEU 84 N -1.19 6.09 0.00 1.79 4.77 -1.26 -5.22 117.00 121.97 2hjm n LEU 84 Ca -0.14 -4.78 0.00 0.00 -0.03 0.00 0.00 56.01 51.06 2hjm n LEU 84 Cb 0.67 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2hjm n LEU 84 CO 0.41 1.92 0.00 0.54 -1.33 0.00 0.00 177.39 178.93