#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rg6 s THR 6 N 0.00 2.06 -0.16 0.52 2.01 -1.26 -5.11 115.64 113.71 1rg6 s THR 6 Ca 0.00 -1.02 -0.21 0.00 0.31 0.00 0.00 61.69 60.77 1rg6 s THR 6 Cb 0.00 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1rg6 s THR 6 CO 0.00 0.56 0.61 -1.81 -0.69 0.00 0.00 174.62 173.29 1rg6 s ASP 7 N 0.34 6.74 -0.37 3.53 1.01 -1.26 -4.94 116.67 121.71 1rg6 s ASP 7 Ca -0.19 0.89 0.08 0.00 0.71 0.00 0.00 52.55 54.04 1rg6 s ASP 7 Cb -0.18 -2.35 0.72 0.00 1.01 0.00 0.00 42.92 42.12 1rg6 s ASP 7 CO 0.09 -0.19 1.84 0.00 0.21 0.00 0.00 175.17 177.12 1rg6 n SER 9 N -0.54 -2.35 -0.07 0.00 3.41 -1.26 -3.77 113.62 109.04 1rg6 n SER 9 Ca 0.48 -0.30 -0.06 0.00 -0.26 0.00 0.00 58.87 58.73 1rg6 n SER 9 Cb 1.49 -1.14 0.13 0.00 -0.26 0.00 0.00 64.21 64.43 1rg6 n SER 9 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1rg6 h ILE 10 N -2.77 1.26 -0.24 -1.33 2.04 -1.82 -3.27 117.51 111.38 1rg6 h ILE 10 Ca -0.58 -1.23 0.06 0.00 1.00 0.00 0.00 64.86 64.11 1rg6 h ILE 10 Cb 1.33 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 38.48 1rg6 h ILE 10 CO 0.44 0.41 -0.33 0.58 0.00 0.00 0.00 178.15 179.25 1rg6 h VAL 11 N 0.64 0.25 -1.00 1.67 2.07 -1.90 -2.01 116.25 115.97 1rg6 h VAL 11 Ca 0.10 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.63 1rg6 h VAL 11 Cb 0.64 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1rg6 h VAL 11 CO 0.05 0.00 0.66 0.28 0.02 0.00 0.00 177.57 178.58 1rg6 h SER 12 N -0.34 1.16 -0.15 0.57 0.02 -1.91 -2.91 113.55 109.99 1rg6 h SER 12 Ca 0.13 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1rg6 h SER 12 Cb 0.55 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1rg6 h SER 12 CO -0.43 0.84 0.10 0.15 -1.14 0.00 0.00 176.83 176.34 1rg6 h PHE 13 N 1.36 0.18 -0.99 3.45 3.57 -1.43 -2.37 116.94 120.72 1rg6 h PHE 13 Ca 0.37 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.88 1rg6 h PHE 13 Cb -0.16 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.47 1rg6 h PHE 13 CO 0.00 0.12 0.64 -0.07 -2.23 0.00 0.00 178.31 176.77 1rg6 h LEU 14 N 0.20 1.14 -0.79 0.59 3.38 -1.29 -2.24 115.31 116.30 1rg6 h LEU 14 Ca 0.05 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rg6 h LEU 14 Cb -0.02 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 1rg6 h LEU 14 CO -0.01 0.84 0.48 0.00 0.09 0.00 0.00 178.44 179.84 1rg6 h ALA 15 N 1.37 1.01 -0.05 1.53 0.00 -1.19 0.38 119.26 122.30 1rg6 h ALA 15 Ca 0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1rg6 h ALA 15 Cb -0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.33 1rg6 h ALA 15 CO -0.08 0.47 0.03 0.00 0.00 0.00 0.00 179.25 179.67 1rg6 h ARG 16 N 1.08 0.06 -0.62 0.00 3.08 -0.89 0.70 114.38 117.80 1rg6 h ARG 16 Ca 0.28 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1rg6 h ARG 16 Cb -0.05 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1rg6 h ARG 16 CO -0.05 0.05 0.00 -0.11 -1.07 0.00 0.00 179.97 178.78 1rg6 n LEU 17 N -4.53 3.56 -1.73 3.04 7.94 -0.71 -4.88 117.00 119.69 1rg6 n LEU 17 Ca -0.02 -1.80 -0.16 0.00 -1.11 0.00 0.00 56.01 52.92 1rg6 n LEU 17 Cb 0.09 -0.49 -0.02 0.00 0.53 0.00 0.00 43.42 43.53 1rg6 n LEU 17 CO 0.34 0.60 -0.20 0.61 -1.11 0.00 0.00 177.39 177.63 1rg6 n GLY 18 N 0.86 0.10 3.24 -3.96 0.00 0.24 -4.99 105.19 100.68 1rg6 n GLY 18 Ca 0.18 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1rg6 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rg6 n SER 20 N 1.86 -0.63 -0.03 0.00 7.64 -1.26 -2.36 113.62 118.85 1rg6 n SER 20 Ca -0.17 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.44 1rg6 n SER 20 Cb 0.53 0.22 -0.08 0.00 -1.01 0.00 0.00 64.21 63.87 1rg6 n SER 20 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1rg6 n SER 21 N -0.22 2.45 -0.79 6.43 3.41 -1.26 -4.51 113.62 119.13 1rg6 n SER 21 Ca -0.14 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.59 1rg6 n SER 21 Cb 0.56 1.12 0.29 0.00 -0.26 0.00 0.00 64.21 65.91 1rg6 n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rg6 h LEU 23 N 3.61 1.12 -1.55 0.00 5.85 -1.96 -2.56 115.31 119.83 1rg6 h LEU 23 Ca 0.00 -0.03 0.22 0.00 0.84 0.00 0.00 57.88 58.91 1rg6 h LEU 23 Cb 0.77 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 1rg6 h LEU 23 CO 0.00 0.81 0.62 0.44 -0.34 0.00 0.00 178.44 179.96 1rg6 h ASP 24 N 1.32 0.36 -0.50 1.25 3.32 -1.91 -1.01 116.42 119.26 1rg6 h ASP 24 Ca 0.36 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.32 1rg6 h ASP 24 Cb -0.15 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1rg6 h ASP 24 CO -0.08 0.13 -0.20 1.88 -1.72 0.00 0.00 179.24 179.25 1rg6 h TYR 25 N 0.35 1.16 -0.33 4.55 0.05 -1.77 -1.60 116.97 119.37 1rg6 h TYR 25 Ca 0.48 -0.27 -0.06 0.00 0.05 0.00 0.00 58.73 58.93 1rg6 h TYR 25 Cb 1.29 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.75 1rg6 h TYR 25 CO -0.00 1.11 -0.01 0.74 -1.05 0.00 0.00 178.16 178.94 1rg6 h PHE 26 N 0.88 0.66 -0.46 4.88 0.04 -1.28 -2.63 116.94 119.03 1rg6 h PHE 26 Ca 0.12 -0.12 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 1rg6 h PHE 26 Cb 0.78 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 1rg6 h PHE 26 CO 0.05 0.73 -0.27 0.00 -0.60 0.00 0.00 178.31 178.22 1rg6 h THR 27 N 0.40 1.27 0.00 -1.55 1.03 -1.47 -0.17 112.91 112.42 1rg6 h THR 27 Ca 0.09 -1.44 0.00 0.00 -0.01 0.00 0.00 66.41 65.05 1rg6 h THR 27 Cb 0.47 1.20 0.00 0.00 -1.07 0.00 0.00 68.15 68.75 1rg6 h THR 27 CO 0.02 0.49 0.00 0.74 -0.01 0.00 0.00 175.52 176.76 1rg6 h THR 28 N 0.84 0.00 -0.01 0.00 2.02 -1.25 -2.66 112.91 111.84 1rg6 h THR 28 Ca 0.10 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1rg6 h THR 28 Cb 0.86 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1rg6 h THR 28 CO 0.08 0.00 -0.51 0.00 0.37 0.00 0.00 175.52 175.46 1rg6 n GLN 29 N -3.03 1.13 -0.09 6.66 1.13 -1.00 -4.95 117.38 117.23 1rg6 n GLN 29 Ca -0.01 -0.94 0.00 0.00 -1.94 0.00 0.00 57.00 54.12 1rg6 n GLN 29 Cb 0.21 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.08 1rg6 n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rg6 n GLY 30 N 1.43 0.55 3.53 1.08 0.00 -1.00 -5.04 105.19 105.73 1rg6 n GLY 30 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1rg6 n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rg6 s LEU 31 N 0.00 4.43 -0.08 0.99 1.02 -0.10 -4.88 118.68 120.05 1rg6 s LEU 31 Ca 0.00 -0.21 0.19 0.00 0.02 0.00 0.00 54.13 54.14 1rg6 s LEU 31 Cb 0.00 -2.75 0.41 0.00 0.02 0.00 0.00 46.19 43.87 1rg6 s LEU 31 CO 0.00 -0.73 1.18 0.35 0.02 0.00 0.00 176.35 177.17 1rg6 n THR 32 N 5.79 0.84 -3.79 5.49 -2.24 -1.26 -3.38 114.28 115.73 1rg6 n THR 32 Ca -0.01 -1.81 -0.12 0.00 -2.27 0.00 0.00 64.05 59.83 1rg6 n THR 32 Cb 0.48 0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 69.13 1rg6 n THR 32 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1rg6 s THR 33 N -1.24 0.07 0.22 4.28 -4.23 -1.26 -3.39 115.64 110.10 1rg6 s THR 33 Ca 0.34 -0.60 -0.03 0.00 -1.18 0.00 0.00 61.69 60.22 1rg6 s THR 33 Cb 0.37 -0.68 0.02 0.00 1.34 0.00 0.00 72.50 73.55 1rg6 s THR 33 CO -0.12 -0.33 1.62 0.40 -0.54 0.00 0.00 174.62 175.65 1rg6 h ILE 34 N 3.76 1.28 -0.36 2.99 2.04 -1.82 -2.77 117.51 122.64 1rg6 h ILE 34 Ca -0.30 -1.40 0.10 0.00 1.00 0.00 0.00 64.86 64.26 1rg6 h ILE 34 Cb 1.18 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1rg6 h ILE 34 CO 0.42 0.46 0.41 1.88 0.00 0.00 0.00 178.15 181.32 1rg6 h TYR 35 N 0.59 0.00 -0.14 1.37 0.05 -1.96 0.28 116.97 117.16 1rg6 h TYR 35 Ca 0.07 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.73 1rg6 h TYR 35 Cb 0.79 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 1rg6 h TYR 35 CO 0.04 0.00 -0.47 1.96 -1.05 0.00 0.00 178.16 178.64 1rg6 h GLN 36 N 0.00 0.36 -0.41 4.88 1.08 -1.92 -3.15 115.11 115.96 1rg6 h GLN 36 Ca 0.17 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1rg6 h GLN 36 Cb 0.99 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 1rg6 h GLN 36 CO -0.00 0.76 0.00 0.44 -0.95 0.00 0.00 178.83 179.07 1rg6 n ILE 37 N -3.98 0.59 -0.24 2.54 -5.35 0.90 -4.51 119.36 109.31 1rg6 n ILE 37 Ca -0.02 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 1rg6 n ILE 37 Cb 0.53 0.89 0.23 0.00 -1.74 0.00 0.00 39.64 39.55 1rg6 n ILE 37 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1rg6 h GLU 38 N 4.04 1.03 0.00 6.28 5.08 -1.25 -2.94 114.58 126.83 1rg6 h GLU 38 Ca 0.00 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1rg6 h GLU 38 Cb 0.93 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1rg6 h GLU 38 CO 0.00 0.68 -1.62 0.72 -1.00 0.00 0.00 179.01 177.80 1rg6 n HIS 39 N -4.42 0.44 -1.86 4.33 8.25 -1.26 -4.94 115.22 115.76 1rg6 n HIS 39 Ca 0.09 0.13 -0.41 0.00 -0.26 0.00 0.00 57.72 57.27 1rg6 n HIS 39 Cb 0.03 -0.75 -0.00 0.00 1.12 0.00 0.00 29.99 30.38 1rg6 n HIS 39 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1rg6 s TYR 40 N -3.35 2.67 0.34 4.41 1.51 -1.11 -5.02 117.35 116.80 1rg6 s TYR 40 Ca -0.05 1.21 0.06 0.00 -1.01 0.00 0.00 57.07 57.28 1rg6 s TYR 40 Cb 0.11 -3.96 0.06 0.00 -0.11 0.00 0.00 41.96 38.06 1rg6 s TYR 40 CO 0.85 -2.79 0.47 0.45 -1.11 0.00 0.00 175.55 173.43 1rg6 n SER 41 N 0.51 1.23 -0.29 2.29 2.88 -1.26 -4.92 113.62 114.07 1rg6 n SER 41 Ca 0.01 -1.90 -0.05 0.00 -1.33 0.00 0.00 58.87 55.60 1rg6 n SER 41 Cb 0.40 -0.25 0.07 0.00 -0.75 0.00 0.00 64.21 63.67 1rg6 n SER 41 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1rg6 h MET 42 N 0.00 1.09 -0.49 -1.46 2.86 -1.95 -2.40 114.93 112.58 1rg6 h MET 42 Ca -0.16 -0.13 -0.13 0.00 -2.06 0.00 0.00 59.70 57.22 1rg6 h MET 42 Cb 0.73 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1rg6 h MET 42 CO 0.23 0.81 -0.21 -0.44 1.06 0.00 0.00 176.91 178.36 1rg6 h ASP 43 N 1.09 1.04 -0.66 1.22 3.32 -1.96 -3.07 116.42 117.40 1rg6 h ASP 43 Ca 0.28 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1rg6 h ASP 43 Cb 0.03 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 1rg6 h ASP 43 CO -0.04 1.20 0.35 0.44 -1.72 0.00 0.00 179.24 179.46 1rg6 h ASP 44 N 0.87 0.85 0.46 6.45 3.32 -1.87 -2.10 116.42 124.40 1rg6 h ASP 44 Ca 0.11 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1rg6 h ASP 44 Cb 0.79 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1rg6 h ASP 44 CO 0.07 0.70 -0.09 0.25 -1.72 0.00 0.00 179.24 178.45 1rg6 h LEU 45 N 0.95 0.00 -0.34 1.55 5.85 -1.34 -3.05 115.31 118.94 1rg6 h LEU 45 Ca 0.24 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1rg6 h LEU 45 Cb 0.06 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1rg6 h LEU 45 CO -0.03 0.09 0.16 0.00 -0.34 0.00 0.00 178.44 178.32 1rg6 h ALA 46 N 1.91 0.42 -0.26 1.25 0.00 -1.40 -1.57 119.26 119.61 1rg6 h ALA 46 Ca -0.00 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1rg6 h ALA 46 Cb 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1rg6 h ALA 46 CO 0.01 -0.21 0.48 0.66 0.00 0.00 0.00 179.25 180.19 1rg6 h SER 47 N 0.34 0.00 0.00 0.00 4.64 -1.67 0.25 113.55 117.11 1rg6 h SER 47 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1rg6 h SER 47 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1rg6 h SER 47 CO -0.11 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.74 1rg6 n LEU 48 N -3.28 0.00 0.00 5.97 7.94 -0.59 -4.83 117.00 122.21 1rg6 n LEU 48 Ca 0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 1rg6 n LEU 48 Cb 0.60 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.55 1rg6 n LEU 48 CO 0.20 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.77 1rg6 n LYS 49 N -0.56 0.00 -2.58 1.96 5.02 0.08 -4.85 118.16 117.24 1rg6 n LYS 49 Ca 0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 1rg6 n LYS 49 Cb 0.01 -2.65 -0.04 0.00 -0.02 0.00 0.00 35.03 32.33 1rg6 n LYS 49 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1rg6 s ILE 50 N -3.73 4.14 1.03 -0.18 1.01 -1.25 -5.02 121.20 117.19 1rg6 s ILE 50 Ca 0.00 1.76 -0.13 0.00 0.00 0.00 0.00 60.65 62.28 1rg6 s ILE 50 Cb 0.00 -4.12 0.21 0.00 0.01 0.00 0.00 42.46 38.56 1rg6 s ILE 50 CO 0.00 0.26 1.08 -2.16 0.00 0.00 0.00 174.94 174.12 1rg6 s PRO 51 N 0.01 0.15 0.55 2.79 0.04 -1.26 -4.65 135.00 132.63 1rg6 s PRO 51 Ca 0.50 0.55 0.33 0.00 0.04 0.00 0.00 61.00 62.42 1rg6 s PRO 51 Cb -0.27 -1.70 1.52 0.00 0.04 0.00 0.00 34.50 34.09 1rg6 s PRO 51 CO 0.32 -2.93 2.06 1.49 0.04 0.00 0.00 177.00 177.98 1rg6 h GLU 52 N -2.04 0.00 -0.56 4.56 4.81 -1.98 -2.80 114.58 116.57 1rg6 h GLU 52 Ca -0.56 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1rg6 h GLU 52 Cb 1.33 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 1rg6 h GLU 52 CO 0.57 0.07 0.37 0.37 -0.73 0.00 0.00 179.01 179.65 1rg6 h GLN 53 N 0.00 0.73 -0.02 1.92 4.15 -2.03 -2.19 115.11 117.67 1rg6 h GLN 53 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1rg6 h GLN 53 Cb 0.41 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1rg6 h GLN 53 CO 0.01 0.48 -0.24 1.19 -1.93 0.00 0.00 178.83 178.34 1rg6 n PHE 54 N -4.45 0.00 -0.08 3.99 3.72 -1.08 -4.04 117.46 115.52 1rg6 n PHE 54 Ca 0.05 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.32 1rg6 n PHE 54 Cb 0.05 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.53 1rg6 n PHE 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rg6 h ARG 55 N 3.32 0.59 0.00 -1.08 3.08 -1.18 -2.57 114.38 116.54 1rg6 h ARG 55 Ca 0.00 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.65 1rg6 h ARG 55 Cb 0.83 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1rg6 h ARG 55 CO 0.00 0.92 -0.49 1.12 -1.07 0.00 0.00 179.97 180.45 1rg6 h HIS 56 N 0.30 0.00 -0.10 3.04 2.07 -1.76 -2.91 115.15 115.79 1rg6 h HIS 56 Ca 0.03 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.51 1rg6 h HIS 56 Cb 0.82 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.80 1rg6 h HIS 56 CO 0.08 0.33 -0.11 0.00 -3.07 0.00 0.00 177.93 175.15 1rg6 h ALA 57 N 1.67 0.15 -0.10 6.11 0.00 -1.68 -2.57 119.26 122.84 1rg6 h ALA 57 Ca -0.02 -0.31 -0.24 0.00 0.00 0.00 0.00 54.91 54.34 1rg6 h ALA 57 Cb 1.27 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1rg6 h ALA 57 CO 0.04 -0.00 -0.88 0.82 0.00 0.00 0.00 179.25 179.23 1rg6 h ILE 58 N -0.17 1.28 -0.96 0.00 2.04 -1.58 -3.27 117.51 114.85 1rg6 h ILE 58 Ca 0.01 -2.07 -0.00 0.00 1.00 0.00 0.00 64.86 63.80 1rg6 h ILE 58 Cb 0.64 2.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.80 1rg6 h ILE 58 CO 0.03 0.65 0.59 -0.25 0.00 0.00 0.00 178.15 179.17 1rg6 h TRP 59 N 0.49 1.25 -1.01 1.37 7.01 -1.59 -2.67 115.95 120.81 1rg6 h TRP 59 Ca -0.08 0.00 0.01 0.00 2.11 0.00 0.00 58.89 60.93 1rg6 h TRP 59 Cb 1.52 -0.41 -0.05 0.00 -2.10 0.00 0.00 29.16 28.11 1rg6 h TRP 59 CO 0.09 0.82 0.67 -0.22 -2.79 0.00 0.00 178.44 177.01 1rg6 h LYS 60 N 1.32 1.33 0.00 2.65 3.64 -1.50 -1.72 116.57 122.29 1rg6 h LYS 60 Ca 0.35 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1rg6 h LYS 60 Cb -0.08 -0.30 -0.00 0.00 -0.41 0.00 0.00 32.23 31.44 1rg6 h LYS 60 CO -0.07 0.88 -0.07 0.78 -2.27 0.00 0.00 179.45 178.70 1rg6 h GLY 61 N 1.37 0.00 1.06 5.01 0.00 -1.53 -2.82 103.07 106.16 1rg6 h GLY 61 Ca 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.63 1rg6 h GLY 61 CO -0.08 0.00 0.19 -2.22 0.00 0.00 0.00 176.54 174.43 1rg6 h ILE 62 N 0.00 1.26 0.13 2.60 2.04 -1.28 -2.44 117.51 119.82 1rg6 h ILE 62 Ca -0.00 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1rg6 h ILE 62 Cb 0.14 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1rg6 h ILE 62 CO 0.01 0.37 -0.06 -0.07 0.00 0.00 0.00 178.15 178.39 1rg6 h LEU 63 N 1.08 -0.15 -1.09 1.44 3.38 -1.57 -2.43 115.31 115.97 1rg6 h LEU 63 Ca 0.23 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1rg6 h LEU 63 Cb 0.36 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1rg6 h LEU 63 CO -0.00 -0.11 0.61 0.44 0.09 0.00 0.00 178.44 179.48 1rg6 h ASP 64 N -0.18 1.06 -1.01 -0.43 3.32 -1.64 -2.39 116.42 115.15 1rg6 h ASP 64 Ca -0.02 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.01 1rg6 h ASP 64 Cb 0.14 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 1rg6 h ASP 64 CO 0.03 0.77 0.67 -0.74 -1.72 0.00 0.00 179.24 178.25 1rg6 h HIS 65 N 1.26 1.27 -0.28 4.55 2.76 -1.15 -2.74 115.15 120.81 1rg6 h HIS 65 Ca 0.34 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.39 1rg6 h HIS 65 Cb -0.14 -0.43 -0.01 0.00 1.55 0.00 0.00 27.41 28.38 1rg6 h HIS 65 CO 0.00 0.80 -0.42 0.00 -1.30 0.00 0.00 177.93 177.01 1rg6 h ARG 66 N 1.37 0.68 -0.97 5.26 3.08 -0.96 -3.25 114.38 119.59 1rg6 h ARG 66 Ca 0.37 -0.36 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1rg6 h ARG 66 Cb -0.16 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.86 1rg6 h ARG 66 CO -0.08 0.97 0.64 1.96 -1.07 0.00 0.00 179.97 182.40 1rg6 h GLN 67 N 0.55 1.26 0.00 0.04 4.20 -1.17 -2.04 115.11 117.95 1rg6 h GLN 67 Ca 0.04 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 1rg6 h GLN 67 Cb 0.96 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1rg6 h GLN 67 CO 0.09 0.83 -0.35 1.37 -0.67 0.00 0.00 178.83 180.10 1rg6 h LEU 68 N 1.30 0.00 -7.38 1.46 8.10 -1.59 -3.40 115.31 113.81 1rg6 h LEU 68 Ca 0.36 0.00 -0.55 0.00 0.11 0.00 0.00 57.88 57.80 1rg6 h LEU 68 Cb -0.11 0.00 -0.39 0.00 -0.44 0.00 0.00 40.66 39.71 1rg6 h LEU 68 CO -0.09 0.35 -0.77 -2.28 -4.11 0.00 0.00 178.44 171.54 1rg6 s HIS 69 N -3.83 1.49 0.30 0.17 5.04 -0.77 -5.12 115.29 112.58 1rg6 s HIS 69 Ca -0.01 -1.19 -0.29 0.00 -1.54 0.00 0.00 55.06 52.03 1rg6 s HIS 69 Cb 0.12 -1.24 -0.10 0.00 0.04 0.00 0.00 32.58 31.40 1rg6 s HIS 69 CO 0.68 -0.68 1.22 -2.00 -2.34 0.00 0.00 174.74 171.62 1rg6 s GLU 70 N 1.70 4.48 0.00 2.88 2.12 -1.23 -4.67 118.70 123.98 1rg6 s GLU 70 Ca -0.02 2.02 0.27 0.00 0.36 0.00 0.00 54.97 57.60 1rg6 s GLU 70 Cb -0.18 -3.13 0.74 0.00 0.26 0.00 0.00 34.13 31.82 1rg6 s GLU 70 CO -0.08 -0.02 1.57 0.34 -0.54 0.00 0.00 175.26 176.53