#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bs7 s ALA 22 N 0.00 3.67 0.38 3.14 0.00 -1.26 -4.91 121.76 122.77 3bs7 s ALA 22 Ca 0.00 1.55 0.12 0.00 0.00 0.00 0.00 51.96 53.63 3bs7 s ALA 22 Cb 0.00 -3.62 0.93 0.00 0.00 0.00 0.00 23.12 20.42 3bs7 s ALA 22 CO 0.00 -0.99 1.86 0.28 0.00 0.00 0.00 175.76 176.91 3bs7 h VAL 23 N 3.23 0.76 0.00 0.00 2.07 -1.97 -1.22 116.25 119.12 3bs7 h VAL 23 Ca -0.48 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3bs7 h VAL 23 Cb 1.23 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3bs7 h VAL 23 CO 0.73 0.10 0.00 0.22 0.02 0.00 0.00 177.57 178.64 3bs7 h TYR 24 N 0.57 0.00 0.00 1.57 3.20 -1.91 -0.74 116.97 119.67 3bs7 h TYR 24 Ca 0.46 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.33 3bs7 h TYR 24 Cb 0.91 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.18 3bs7 h TYR 24 CO -0.00 0.00 -0.83 1.28 -1.64 0.00 0.00 178.16 176.96 3bs7 n LEU 25 N -2.69 0.72 -4.75 2.82 4.77 -0.46 -4.31 117.00 113.10 3bs7 n LEU 25 Ca -0.01 -0.21 -0.41 0.00 -0.03 0.00 0.00 56.01 55.34 3bs7 n LEU 25 Cb 0.11 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3bs7 n LEU 25 CO 0.17 0.16 1.20 0.26 -1.33 0.00 0.00 177.39 177.85 3bs7 s TRP 26 N -3.05 2.87 0.68 -1.77 0.52 -0.28 -4.91 118.94 113.01 3bs7 s TRP 26 Ca 0.08 0.85 -0.05 0.00 0.02 0.00 0.00 56.10 56.99 3bs7 s TRP 26 Cb 0.16 -3.97 0.06 0.00 -1.15 0.00 0.00 33.47 28.57 3bs7 s TRP 26 CO 0.79 -3.27 0.98 0.95 0.02 0.00 0.00 176.95 176.42 3bs7 s THR 27 N 0.09 2.33 0.25 2.01 -4.23 -1.26 -1.28 115.64 113.55 3bs7 s THR 27 Ca 0.63 -0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.76 3bs7 s THR 27 Cb -0.45 -2.99 0.21 0.00 1.34 0.00 0.00 72.50 70.61 3bs7 s THR 27 CO 0.45 0.00 1.75 1.62 -0.54 0.00 0.00 174.62 177.90 3bs7 h VAL 28 N -0.51 0.73 -0.65 2.29 3.04 -1.92 -1.09 116.25 118.14 3bs7 h VAL 28 Ca -0.44 -0.19 0.04 0.00 -1.01 0.00 0.00 66.70 65.10 3bs7 h VAL 28 Cb 1.31 0.14 -0.04 0.00 -2.01 0.00 0.00 31.29 30.69 3bs7 h VAL 28 CO 0.59 0.10 0.39 0.28 -1.01 0.00 0.00 177.57 177.91 3bs7 h SER 29 N 0.54 0.62 -0.53 3.17 0.02 -1.93 0.74 113.55 116.18 3bs7 h SER 29 Ca 0.41 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.39 3bs7 h SER 29 Cb 0.57 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 3bs7 h SER 29 CO -0.36 0.42 0.33 0.44 -1.14 0.00 0.00 176.83 176.53 3bs7 h ASP 30 N 0.75 0.55 -0.63 3.07 3.32 -1.67 -0.90 116.42 120.91 3bs7 h ASP 30 Ca 0.27 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 3bs7 h ASP 30 Cb 0.07 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3bs7 h ASP 30 CO -0.13 0.39 0.25 0.58 -1.72 0.00 0.00 179.24 178.62 3bs7 h VAL 31 N 0.66 1.23 -0.89 -1.35 2.07 -0.58 -0.53 116.25 116.86 3bs7 h VAL 31 Ca 0.21 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.03 3bs7 h VAL 31 Cb -0.01 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 3bs7 h VAL 31 CO -0.08 0.28 0.58 -0.07 0.02 0.00 0.00 177.57 178.31 3bs7 h LEU 32 N 0.87 1.00 -0.30 2.57 3.38 -0.46 0.21 115.31 122.58 3bs7 h LEU 32 Ca 0.21 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3bs7 h LEU 32 Cb 0.20 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3bs7 h LEU 32 CO -0.02 0.71 0.16 0.50 0.09 0.00 0.00 178.44 179.88 3bs7 h LYS 33 N 1.17 0.42 -0.75 1.13 3.64 -0.88 -1.52 116.57 119.79 3bs7 h LYS 33 Ca 0.34 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3bs7 h LYS 33 Cb -0.08 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 3bs7 h LYS 33 CO -0.09 0.36 0.46 2.35 -2.27 0.00 0.00 179.45 180.26 3bs7 h TRP 34 N 0.37 0.97 -0.35 1.91 7.01 -0.60 -2.13 115.95 123.13 3bs7 h TRP 34 Ca 0.11 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 3bs7 h TRP 34 Cb 0.06 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 26.79 3bs7 h TRP 34 CO -0.03 0.64 0.12 -0.92 -2.79 0.00 0.00 178.44 175.46 3bs7 h TYR 35 N 1.02 0.55 -1.00 2.65 3.20 -0.34 -0.57 116.97 122.47 3bs7 h TYR 35 Ca 0.27 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.14 3bs7 h TYR 35 Cb -0.06 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 37.99 3bs7 h TYR 35 CO -0.01 0.53 0.65 0.00 -1.64 0.00 0.00 178.16 177.68 3bs7 h ARG 36 N 0.41 1.18 -0.31 1.82 3.08 -1.08 0.20 114.38 119.69 3bs7 h ARG 36 Ca 0.11 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.92 3bs7 h ARG 36 Cb 0.23 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3bs7 h ARG 36 CO -0.01 0.78 -0.47 -0.09 -1.07 0.00 0.00 179.97 179.12 3bs7 h ARG 37 N 1.22 0.86 0.00 0.04 2.43 -0.94 -3.23 114.38 114.76 3bs7 h ARG 37 Ca 0.41 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3bs7 h ARG 37 Cb 0.09 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3bs7 h ARG 37 CO -0.15 1.15 -1.52 0.72 -1.51 0.00 0.00 179.97 178.67 3bs7 n HIS 38 N -4.07 0.00 -2.22 2.20 8.25 -0.26 -4.56 115.22 114.56 3bs7 n HIS 38 Ca -0.04 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.21 3bs7 n HIS 38 Cb 0.58 -0.29 0.02 0.00 1.12 0.00 0.00 29.99 31.43 3bs7 n HIS 38 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bs7 h GLY 40 N 2.33 0.00 -1.14 0.00 0.00 -1.67 -0.18 103.07 102.40 3bs7 h GLY 40 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3bs7 h GLY 40 CO 0.69 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.41 3bs7 n GLU 41 N -3.60 1.79 -2.23 4.80 -0.58 -1.26 -4.04 120.64 115.51 3bs7 n GLU 41 Ca -0.02 -1.21 -0.03 0.00 -0.42 0.00 0.00 57.16 55.47 3bs7 n GLU 41 Cb 0.14 -1.31 0.05 0.00 -0.57 0.00 0.00 31.44 29.75 3bs7 n GLU 41 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3bs7 n TYR 42 N 0.46 1.19 0.29 -0.32 4.01 -0.08 -4.89 117.16 117.82 3bs7 n TYR 42 Ca 0.13 -1.77 0.16 0.00 -0.16 0.00 0.00 57.90 56.26 3bs7 n TYR 42 Cb 0.31 -0.24 0.58 0.00 -0.31 0.00 0.00 39.34 39.68 3bs7 n TYR 42 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3bs7 h THR 43 N 4.88 0.00 -0.81 -0.72 1.03 -1.70 -2.26 112.91 113.33 3bs7 h THR 43 Ca -0.05 -0.55 0.25 0.00 -0.01 0.00 0.00 66.41 66.04 3bs7 h THR 43 Cb 1.43 1.53 -0.15 0.00 -1.07 0.00 0.00 68.15 69.89 3bs7 h THR 43 CO 0.26 0.00 0.10 0.00 -0.01 0.00 0.00 175.52 175.87 3bs7 n GLN 44 N -2.98 -0.06 0.00 0.00 10.64 -1.26 -1.48 117.38 122.24 3bs7 n GLN 44 Ca 0.01 1.20 0.14 0.00 -1.83 0.00 0.00 57.00 56.52 3bs7 n GLN 44 Cb 0.33 -1.95 0.50 0.00 -0.86 0.00 0.00 30.24 28.27 3bs7 n GLN 44 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3bs7 n TYR 45 N -5.09 0.00 -0.33 2.61 4.01 -0.85 -4.19 117.16 113.32 3bs7 n TYR 45 Ca 0.21 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 58.06 3bs7 n TYR 45 Cb 0.71 -0.09 0.30 0.00 -0.31 0.00 0.00 39.34 39.95 3bs7 n TYR 45 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3bs7 h GLU 46 N 1.35 0.83 0.00 -0.72 4.81 -1.43 -0.03 114.58 119.38 3bs7 h GLU 46 Ca 0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3bs7 h GLU 46 Cb 0.45 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 3bs7 h GLU 46 CO 0.00 0.55 -0.10 1.96 -0.73 0.00 0.00 179.01 180.69 3bs7 h GLN 47 N 0.85 0.00 -0.22 1.92 7.50 -1.79 -1.93 115.11 121.45 3bs7 h GLN 47 Ca 0.50 0.00 -0.18 0.00 0.50 0.00 0.00 58.65 59.48 3bs7 h GLN 47 Cb 0.66 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.19 3bs7 h GLN 47 CO -0.27 0.10 -0.58 -0.07 -1.50 0.00 0.00 178.83 176.51 3bs7 h LEU 48 N 0.00 0.79 -0.85 1.46 3.38 -1.29 -1.22 115.31 117.57 3bs7 h LEU 48 Ca -0.00 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 3bs7 h LEU 48 Cb 0.25 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3bs7 h LEU 48 CO 0.01 1.19 0.45 -0.26 0.09 0.00 0.00 178.44 179.92 3bs7 h PHE 49 N 0.53 1.19 -0.22 1.13 0.04 -1.31 -1.09 116.94 117.22 3bs7 h PHE 49 Ca 0.00 -0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 3bs7 h PHE 49 Cb 1.16 -0.38 -0.00 0.00 2.20 0.00 0.00 35.95 38.93 3bs7 h PHE 49 CO 0.06 0.84 -0.20 0.00 -0.60 0.00 0.00 178.31 178.41 3bs7 h ALA 50 N 1.24 0.32 -0.38 2.45 0.00 -1.35 -1.39 119.26 120.15 3bs7 h ALA 50 Ca 0.30 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3bs7 h ALA 50 Cb 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3bs7 h ALA 50 CO -0.04 0.25 0.05 1.96 0.00 0.00 0.00 179.25 181.47 3bs7 h GLN 51 N 0.21 0.58 -0.47 0.00 4.20 -1.05 -1.21 115.11 117.37 3bs7 h GLN 51 Ca 0.04 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3bs7 h GLN 51 Cb 0.74 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3bs7 h GLN 51 CO 0.05 0.57 0.00 0.72 -0.67 0.00 0.00 178.83 179.50 3bs7 n HIS 52 N -4.30 0.65 -3.67 2.96 8.25 -0.43 -4.95 115.22 113.73 3bs7 n HIS 52 Ca 0.02 -0.29 -0.21 0.00 -0.26 0.00 0.00 57.72 56.98 3bs7 n HIS 52 Cb 0.22 -0.06 0.04 0.00 1.12 0.00 0.00 29.99 31.31 3bs7 n HIS 52 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3bs7 n ASP 53 N 0.60 -1.61 -4.53 0.41 2.03 -0.46 -4.84 116.55 108.16 3bs7 n ASP 53 Ca 0.14 -0.78 -0.42 0.00 0.52 0.00 0.00 54.79 54.25 3bs7 n ASP 53 Cb 0.42 -4.22 -0.03 0.00 -0.72 0.00 0.00 41.12 36.57 3bs7 n ASP 53 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3bs7 s ILE 54 N -3.60 3.89 0.88 5.18 -1.09 -0.54 -4.90 121.20 121.02 3bs7 s ILE 54 Ca 0.06 0.15 -0.13 0.00 -2.23 0.00 0.00 60.65 58.50 3bs7 s ILE 54 Cb -0.03 -4.87 0.15 0.00 -1.58 0.00 0.00 42.46 36.14 3bs7 s ILE 54 CO 0.80 -1.76 1.23 0.42 -1.23 0.00 0.00 174.94 174.40 3bs7 s THR 55 N 5.26 2.04 0.22 2.92 -4.23 -1.26 -4.21 115.64 116.37 3bs7 s THR 55 Ca 0.32 -0.07 -0.07 0.00 -1.18 0.00 0.00 61.69 60.69 3bs7 s THR 55 Cb -0.10 -2.96 0.17 0.00 1.34 0.00 0.00 72.50 70.95 3bs7 s THR 55 CO 0.12 0.00 1.77 1.23 -0.54 0.00 0.00 174.62 177.20 3bs7 h GLY 56 N -1.30 1.03 0.40 3.99 0.00 -1.32 0.27 103.07 106.14 3bs7 h GLY 56 Ca -0.44 -0.19 0.08 0.00 0.00 0.00 0.00 47.33 46.78 3bs7 h GLY 56 CO 0.48 0.03 0.11 3.21 0.00 0.00 0.00 176.54 180.36 3bs7 h ARG 57 N 0.54 0.24 -0.45 4.80 3.08 -1.75 -2.04 114.38 118.80 3bs7 h ARG 57 Ca 0.35 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.28 3bs7 h ARG 57 Cb 0.40 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3bs7 h ARG 57 CO -0.29 0.16 -0.13 0.00 -1.07 0.00 0.00 179.97 178.64 3bs7 h ALA 58 N 1.37 0.92 -0.33 0.04 0.00 -1.74 -3.12 119.26 116.40 3bs7 h ALA 58 Ca 0.24 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3bs7 h ALA 58 Cb 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3bs7 h ALA 58 CO -0.30 0.62 0.20 1.25 0.00 0.00 0.00 179.25 181.02 3bs7 h LEU 59 N 0.75 0.39 -2.16 0.00 5.85 0.16 -1.97 115.31 118.33 3bs7 h LEU 59 Ca 0.12 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3bs7 h LEU 59 Cb 0.64 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 3bs7 h LEU 59 CO 0.04 0.32 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.33 3bs7 h LEU 60 N 0.43 0.00 -0.89 2.25 3.38 -1.33 -2.77 115.31 116.38 3bs7 h LEU 60 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3bs7 h LEU 60 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3bs7 h LEU 60 CO -0.02 0.06 -0.38 0.54 0.09 0.00 0.00 178.44 178.73 3bs7 n ARG 61 N -3.41 1.16 -1.86 1.13 1.74 -0.78 -4.98 116.66 109.66 3bs7 n ARG 61 Ca -0.02 -0.89 -0.41 0.00 -0.77 0.00 0.00 57.85 55.77 3bs7 n ARG 61 Cb 0.19 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 3bs7 n ARG 61 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3bs7 s ILE 62 N -2.45 2.18 0.44 0.55 -4.36 -0.95 -5.02 121.20 111.59 3bs7 s ILE 62 Ca 0.21 0.17 0.06 0.00 -0.26 0.00 0.00 60.65 60.83 3bs7 s ILE 62 Cb 0.19 -3.11 -0.05 0.00 1.25 0.00 0.00 42.46 40.74 3bs7 s ILE 62 CO 0.54 0.04 0.09 0.42 0.24 0.00 0.00 174.94 176.26 3bs7 s THR 63 N -1.16 1.91 0.19 8.37 -4.23 -1.26 -4.98 115.64 114.47 3bs7 s THR 63 Ca 0.55 -1.87 -0.13 0.00 -1.18 0.00 0.00 61.69 59.06 3bs7 s THR 63 Cb -0.44 -2.78 0.11 0.00 1.34 0.00 0.00 72.50 70.73 3bs7 s THR 63 CO 0.59 0.00 1.71 -0.78 -0.54 0.00 0.00 174.62 175.60 3bs7 h ASP 64 N 1.52 -0.02 -0.34 3.99 3.58 -1.99 -1.60 116.42 121.56 3bs7 h ASP 64 Ca -0.43 0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.04 3bs7 h ASP 64 Cb 1.26 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.43 3bs7 h ASP 64 CO 0.75 0.02 -0.02 0.28 -2.88 0.00 0.00 179.24 177.39 3bs7 h SER 65 N 0.22 0.69 -0.13 2.28 0.02 -1.99 -1.66 113.55 112.98 3bs7 h SER 65 Ca 0.25 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 61.08 3bs7 h SER 65 Cb 0.35 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.65 3bs7 h SER 65 CO -0.34 0.77 -0.19 0.28 -1.14 0.00 0.00 176.83 176.21 3bs7 h SER 66 N 0.67 -0.60 -0.83 3.07 0.02 -1.81 -0.11 113.55 113.96 3bs7 h SER 66 Ca 0.13 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.15 3bs7 h SER 66 Cb 0.45 0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.23 3bs7 h SER 66 CO 0.02 -0.24 0.38 -0.07 -1.14 0.00 0.00 176.83 175.78 3bs7 h LEU 67 N -0.25 1.10 0.09 5.07 3.38 -1.07 0.91 115.31 124.55 3bs7 h LEU 67 Ca 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3bs7 h LEU 67 Cb 0.39 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3bs7 h LEU 67 CO -0.28 0.94 -0.06 -0.61 0.09 0.00 0.00 178.44 178.52 3bs7 h GLN 68 N 1.19 -0.15 -0.64 1.13 4.15 -1.02 -1.40 115.11 118.37 3bs7 h GLN 68 Ca 0.28 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.72 3bs7 h GLN 68 Cb 0.15 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 3bs7 h GLN 68 CO -0.03 -0.10 0.42 0.00 -1.93 0.00 0.00 178.83 177.19 3bs7 h ARG 69 N -0.15 0.84 -0.11 1.69 3.08 -0.48 -1.07 114.38 118.18 3bs7 h ARG 69 Ca -0.00 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.03 3bs7 h ARG 69 Cb 0.13 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3bs7 h ARG 69 CO -0.00 0.56 0.11 0.52 -1.07 0.00 0.00 179.97 180.09 3bs7 h MET 70 N 0.87 0.00 0.00 0.04 2.86 -0.64 -3.46 114.93 114.60 3bs7 h MET 70 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3bs7 h MET 70 Cb -0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.56 3bs7 h MET 70 CO -0.05 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.33 3bs7 n GLY 71 N -1.43 1.52 3.47 8.32 0.00 -0.41 -4.95 105.19 111.72 3bs7 n GLY 71 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3bs7 n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bs7 s VAL 72 N -2.00 4.59 -1.06 1.61 1.01 -0.55 -4.82 120.40 119.17 3bs7 s VAL 72 Ca 0.00 -1.39 0.23 0.00 0.00 0.00 0.00 61.98 60.82 3bs7 s VAL 72 Cb 0.00 -4.82 -0.10 0.00 0.00 0.00 0.00 36.38 31.47 3bs7 s VAL 72 CO 0.00 -1.57 1.16 0.35 0.00 0.00 0.00 175.10 175.04 3bs7 n THR 73 N 5.72 0.00 -2.79 3.92 -2.24 -1.26 -4.03 114.28 113.61 3bs7 n THR 73 Ca 0.24 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.58 3bs7 n THR 73 Cb 0.49 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 3bs7 n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3bs7 s ASP 74 N -2.96 6.85 0.41 3.42 2.15 -1.26 -4.95 116.67 120.33 3bs7 s ASP 74 Ca 0.10 0.96 0.09 0.00 0.43 0.00 0.00 52.55 54.14 3bs7 s ASP 74 Cb 0.17 -2.48 0.87 0.00 -0.30 0.00 0.00 42.92 41.18 3bs7 s ASP 74 CO 0.77 -0.70 2.00 -0.55 -0.17 0.00 0.00 175.17 176.52 3bs7 h ASN 75 N 7.94 0.31 -0.25 -0.34 -1.07 -2.00 -1.59 115.58 118.59 3bs7 h ASN 75 Ca -0.22 -0.03 -0.14 0.00 0.07 0.00 0.00 56.30 55.98 3bs7 h ASN 75 Cb 1.08 -0.08 -0.00 0.00 -2.07 0.00 0.00 38.32 37.25 3bs7 h ASN 75 CO 0.95 0.33 -0.39 0.03 0.07 0.00 0.00 177.43 178.41 3bs7 h ARG 76 N 0.35 0.70 -0.47 4.14 3.08 -1.98 -0.85 114.38 119.34 3bs7 h ARG 76 Ca 0.08 -0.43 0.04 0.00 0.07 0.00 0.00 59.98 59.75 3bs7 h ARG 76 Cb 0.14 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 3bs7 h ARG 76 CO -0.00 1.05 0.24 -0.44 -1.07 0.00 0.00 179.97 179.75 3bs7 h ASP 77 N 0.42 0.36 -0.24 7.04 5.19 -1.90 -2.15 116.42 125.13 3bs7 h ASP 77 Ca 0.02 0.02 0.05 0.00 -0.62 0.00 0.00 57.03 56.50 3bs7 h ASP 77 Cb 0.99 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 40.41 3bs7 h ASP 77 CO 0.09 0.25 -0.06 -0.09 -3.12 0.00 0.00 179.24 176.31 3bs7 h ARG 78 N 0.48 -0.00 -0.77 3.56 2.43 -1.17 -1.59 114.38 117.32 3bs7 h ARG 78 Ca 0.20 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.52 3bs7 h ARG 78 Cb 0.10 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.56 3bs7 h ARG 78 CO -0.14 -0.00 0.33 1.49 -1.51 0.00 0.00 179.97 180.14 3bs7 h GLU 79 N -0.00 0.47 -0.26 0.20 4.22 -0.90 0.46 114.58 118.77 3bs7 h GLU 79 Ca 0.12 -0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.46 3bs7 h GLU 79 Cb 0.18 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3bs7 h GLU 79 CO -0.25 0.31 -0.11 0.00 -2.18 0.00 0.00 179.01 176.78 3bs7 h ALA 80 N 1.55 0.36 -0.07 2.92 0.00 -0.88 -0.57 119.26 122.57 3bs7 h ALA 80 Ca 0.42 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3bs7 h ALA 80 Cb 0.63 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3bs7 h ALA 80 CO -0.39 0.21 0.01 0.82 0.00 0.00 0.00 179.25 179.90 3bs7 h ILE 81 N 0.26 1.22 -0.83 0.00 2.04 -0.85 -2.86 117.51 116.49 3bs7 h ILE 81 Ca 0.06 -0.69 0.17 0.00 1.00 0.00 0.00 64.86 65.40 3bs7 h ILE 81 Cb 0.61 1.54 -0.10 0.00 -0.74 0.00 0.00 36.82 38.13 3bs7 h ILE 81 CO 0.03 0.19 0.38 -0.25 0.00 0.00 0.00 178.15 178.51 3bs7 h TRP 82 N -0.13 0.65 -0.55 1.37 2.91 -0.04 -0.77 115.95 119.38 3bs7 h TRP 82 Ca 0.02 0.04 0.08 0.00 1.13 0.00 0.00 58.89 60.15 3bs7 h TRP 82 Cb 0.29 -0.16 -0.06 0.00 -0.51 0.00 0.00 29.16 28.72 3bs7 h TRP 82 CO 0.02 0.08 0.21 0.00 -1.03 0.00 0.00 178.44 177.71 3bs7 h ARG 83 N 0.50 0.38 -0.21 2.65 3.08 -0.92 0.43 114.38 120.30 3bs7 h ARG 83 Ca 0.48 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 60.33 3bs7 h ARG 83 Cb 0.76 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 3bs7 h ARG 83 CO -0.43 0.25 -0.56 0.93 -1.07 0.00 0.00 179.97 179.10 3bs7 h GLU 84 N 0.40 0.65 -0.45 0.04 4.39 -1.00 -1.76 114.58 116.85 3bs7 h GLU 84 Ca 0.27 -0.42 0.01 0.00 0.34 0.00 0.00 59.36 59.56 3bs7 h GLU 84 Cb 0.29 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 3bs7 h GLU 84 CO -0.26 1.03 0.29 0.82 -1.16 0.00 0.00 179.01 179.73 3bs7 h ILE 85 N 0.50 1.09 -0.86 3.13 2.04 -0.62 -1.89 117.51 120.90 3bs7 h ILE 85 Ca 0.01 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 3bs7 h ILE 85 Cb 1.12 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 3bs7 h ILE 85 CO 0.11 0.11 0.44 0.58 0.00 0.00 0.00 178.15 179.38 3bs7 h VAL 86 N 0.58 1.26 -0.85 1.67 2.07 -0.85 0.29 116.25 120.42 3bs7 h VAL 86 Ca 0.17 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 3bs7 h VAL 86 Cb -0.03 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 3bs7 h VAL 86 CO -0.06 0.30 0.41 0.11 0.02 0.00 0.00 177.57 178.35 3bs7 h LYS 87 N 1.21 1.23 -0.54 1.57 1.57 -1.10 0.01 116.57 120.51 3bs7 h LYS 87 Ca 0.30 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3bs7 h LYS 87 Cb 0.08 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3bs7 h LYS 87 CO -0.04 0.94 0.18 0.37 -0.57 0.00 0.00 179.45 180.33 3bs7 h GLN 88 N 1.22 0.84 -0.95 3.15 5.75 -0.65 -2.05 115.11 122.41 3bs7 h GLN 88 Ca 0.29 -0.17 0.09 0.00 -0.15 0.00 0.00 58.65 58.71 3bs7 h GLN 88 Cb 0.12 -0.12 -0.07 0.00 1.07 0.00 0.00 27.48 28.47 3bs7 h GLN 88 CO -0.04 0.76 0.59 0.00 -2.65 0.00 0.00 178.83 177.50 3bs7 h ARG 89 N 0.75 0.99 -0.17 1.69 3.08 -0.41 0.06 114.38 120.37 3bs7 h ARG 89 Ca 0.18 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3bs7 h ARG 89 Cb 0.26 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3bs7 h ARG 89 CO -0.01 0.65 0.05 -0.07 -1.07 0.00 0.00 179.97 179.53 3bs7 h LEU 90 N 1.02 0.26 -0.56 3.04 3.38 -0.77 0.92 115.31 122.59 3bs7 h LEU 90 Ca 0.44 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.26 3bs7 h LEU 90 Cb 0.32 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3bs7 h LEU 90 CO -0.22 0.40 0.27 0.50 0.09 0.00 0.00 178.44 179.47 3bs7 h LYS 91 N 0.10 0.49 -0.33 1.13 3.64 -0.98 -0.08 116.57 120.55 3bs7 h LYS 91 Ca 0.06 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3bs7 h LYS 91 Cb 0.23 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3bs7 h LYS 91 CO -0.00 0.33 0.01 1.15 -2.27 0.00 0.00 179.45 178.67 3bs7 h THR 92 N 0.51 1.25 -0.57 1.00 2.02 -0.84 -1.97 112.91 114.31 3bs7 h THR 92 Ca 0.26 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 3bs7 h THR 92 Cb 0.21 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3bs7 h THR 92 CO -0.20 0.30 0.18 0.44 0.37 0.00 0.00 175.52 176.61 3bs7 h ASP 93 N 0.38 0.83 -0.61 4.18 3.32 -0.58 -2.69 116.42 121.26 3bs7 h ASP 93 Ca 0.09 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 56.96 3bs7 h ASP 93 Cb 0.42 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 3bs7 h ASP 93 CO 0.01 0.82 0.37 0.40 -1.72 0.00 0.00 179.24 179.13 3bs7 h ILE 94 N 0.80 1.08 0.00 0.35 2.04 -0.89 -3.51 117.51 117.38 3bs7 h ILE 94 Ca 0.18 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3bs7 h ILE 94 Cb 0.28 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3bs7 h ILE 94 CO -0.01 0.13 0.00 0.80 0.00 0.00 0.00 178.15 179.08