#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rg6 h THR 6 N 0.00 1.25 -6.23 0.52 1.03 -2.09 -3.46 112.91 103.93 1rg6 h THR 6 Ca 0.00 -0.58 -0.45 0.00 -0.01 0.00 0.00 66.41 65.37 1rg6 h THR 6 Cb 0.00 0.04 0.01 0.00 -1.07 0.00 0.00 68.15 67.13 1rg6 h THR 6 CO 0.00 0.27 -0.83 0.47 -0.01 0.00 0.00 175.52 175.42 1rg6 n ASP 7 N -4.35 -1.45 -3.55 0.00 8.00 -1.26 -4.85 116.55 109.09 1rg6 n ASP 7 Ca 0.09 -0.86 -0.41 0.00 0.71 0.00 0.00 54.79 54.33 1rg6 n ASP 7 Cb 0.08 -3.77 -0.01 0.00 -0.02 0.00 0.00 41.12 37.40 1rg6 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rg6 n SER 9 N 2.64 -3.17 -0.09 0.00 3.41 -1.26 -3.44 113.62 111.71 1rg6 n SER 9 Ca 0.59 -0.52 -0.07 0.00 -0.26 0.00 0.00 58.87 58.61 1rg6 n SER 9 Cb 0.28 -1.01 0.09 0.00 -0.26 0.00 0.00 64.21 63.31 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 -3.05 1.27 -0.41 -1.33 1.08 -1.86 -3.24 117.51 109.98 1rg6 h ILE 10 Ca -0.44 -1.31 0.09 0.00 -0.39 0.00 0.00 64.86 62.80 1rg6 h ILE 10 Cb 1.22 1.18 -0.09 0.00 -3.07 0.00 0.00 36.82 36.06 1rg6 h ILE 10 CO 0.30 0.44 -0.19 0.58 -0.69 0.00 0.00 178.15 178.59 1rg6 h VAL 11 N 0.69 0.42 -0.94 1.67 2.07 -1.91 -1.83 116.25 116.42 1rg6 h VAL 11 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1rg6 h VAL 11 Cb 0.71 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1rg6 h VAL 11 CO 0.05 0.00 0.57 0.28 0.02 0.00 0.00 177.57 178.49 1rg6 h SER 12 N -0.12 1.12 -0.00 0.57 0.02 -1.91 -2.47 113.55 110.76 1rg6 h SER 12 Ca 0.20 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1rg6 h SER 12 Cb 0.42 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 1rg6 h SER 12 CO -0.48 0.85 0.00 0.15 -1.14 0.00 0.00 176.83 176.21 1rg6 h PHE 13 N 1.29 0.00 -0.85 3.45 3.57 -1.40 -1.34 116.94 121.66 1rg6 h PHE 13 Ca 0.34 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.80 1rg6 h PHE 13 Cb -0.06 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 1rg6 h PHE 13 CO 0.00 0.00 0.40 -0.07 -2.23 0.00 0.00 178.31 176.42 1rg6 h LEU 14 N 0.00 1.12 -0.58 0.59 3.38 -1.37 -2.58 115.31 115.88 1rg6 h LEU 14 Ca 0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1rg6 h LEU 14 Cb 0.00 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1rg6 h LEU 14 CO -0.00 0.94 0.34 0.00 0.09 0.00 0.00 178.44 179.81 1rg6 h ALA 15 N 1.22 0.73 -0.16 1.53 0.00 -1.06 0.54 119.26 122.06 1rg6 h ALA 15 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1rg6 h ALA 15 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1rg6 h ALA 15 CO -0.04 0.22 0.10 0.00 0.00 0.00 0.00 179.25 179.54 1rg6 h ARG 16 N 0.78 0.20 -0.58 0.00 2.47 -0.87 0.16 114.38 116.54 1rg6 h ARG 16 Ca 0.21 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1rg6 h ARG 16 Cb -0.01 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1rg6 h ARG 16 CO -0.04 0.14 0.00 -0.11 0.56 0.00 0.00 179.97 180.52 1rg6 n LEU 17 N -4.52 3.11 -1.47 3.04 7.94 -0.79 -4.88 117.00 119.43 1rg6 n LEU 17 Ca -0.01 -1.57 -0.14 0.00 -1.11 0.00 0.00 56.01 53.18 1rg6 n LEU 17 Cb 0.08 -0.44 -0.02 0.00 0.53 0.00 0.00 43.42 43.56 1rg6 n LEU 17 CO 0.34 0.56 -0.17 0.61 -1.11 0.00 0.00 177.39 177.62 1rg6 n GLY 18 N 0.86 0.27 3.23 -3.96 0.00 0.04 -5.00 105.19 100.64 1rg6 n GLY 18 Ca 0.16 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 2.16 -0.56 -0.00 0.00 2.88 -1.26 -2.38 113.62 114.45 1rg6 n SER 20 Ca -0.16 -1.70 0.05 0.00 -1.33 0.00 0.00 58.87 55.72 1rg6 n SER 20 Cb 0.53 0.16 -0.06 0.00 -0.75 0.00 0.00 64.21 64.09 1rg6 n SER 20 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1rg6 n SER 21 N 0.03 1.74 -0.94 -3.46 3.41 -1.26 -4.53 113.62 108.60 1rg6 n SER 21 Ca -0.17 -0.32 0.12 0.00 -0.26 0.00 0.00 58.87 58.24 1rg6 n SER 21 Cb 0.67 1.24 0.12 0.00 -0.26 0.00 0.00 64.21 65.97 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 4.62 1.13 -1.35 0.00 5.85 -1.95 -2.66 115.31 120.95 1rg6 h LEU 23 Ca 0.00 -0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.83 1rg6 h LEU 23 Cb 0.98 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 1rg6 h LEU 23 CO 0.00 0.82 0.55 -0.78 -0.34 0.00 0.00 178.44 178.70 1rg6 h ASP 24 N 1.34 0.61 -0.89 1.25 1.82 -1.91 -1.65 116.42 116.98 1rg6 h ASP 24 Ca 0.36 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 57.01 1rg6 h ASP 24 Cb -0.15 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 39.73 1rg6 h ASP 24 CO -0.08 0.31 0.46 1.88 -1.61 0.00 0.00 179.24 180.21 1rg6 h TYR 25 N 0.64 1.24 -0.39 0.28 0.05 -1.79 -1.61 116.97 115.40 1rg6 h TYR 25 Ca 0.42 -0.04 -0.16 0.00 0.05 0.00 0.00 58.73 59.00 1rg6 h TYR 25 Cb 0.71 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1rg6 h TYR 25 CO -0.00 0.87 -0.39 0.74 -1.05 0.00 0.00 178.16 178.33 1rg6 h PHE 26 N 1.25 1.14 -0.63 4.88 0.04 -1.41 -2.97 116.94 119.23 1rg6 h PHE 26 Ca 0.31 -0.34 -0.06 0.00 2.80 0.00 0.00 57.97 60.68 1rg6 h PHE 26 Cb 0.06 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 1rg6 h PHE 26 CO 0.01 1.18 0.17 1.79 -0.60 0.00 0.00 178.31 180.86 1rg6 h THR 27 N 0.77 1.25 0.00 -1.55 1.35 -1.18 -1.92 112.91 111.63 1rg6 h THR 27 Ca 0.06 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1rg6 h THR 27 Cb 0.99 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1rg6 h THR 27 CO 0.10 0.34 0.00 0.74 -0.25 0.00 0.00 175.52 176.45 1rg6 h THR 28 N 0.92 0.00 0.00 6.82 2.02 -1.27 -2.87 112.91 118.54 1rg6 h THR 28 Ca 0.20 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1rg6 h THR 28 Cb 0.33 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1rg6 h THR 28 CO -0.00 0.00 -1.32 0.00 0.37 0.00 0.00 175.52 174.56 1rg6 n GLN 29 N -2.32 0.32 -0.21 6.66 1.13 -0.80 -4.97 117.38 117.19 1rg6 n GLN 29 Ca 0.01 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1rg6 n GLN 29 Cb 0.19 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.05 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 1.42 0.89 3.50 1.08 0.00 -0.94 -5.06 105.19 106.08 1rg6 n GLY 30 Ca 0.01 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 4.47 -0.15 0.99 1.02 -0.79 -4.94 118.68 119.28 1rg6 s LEU 31 Ca 0.00 -0.49 0.18 0.00 0.02 0.00 0.00 54.13 53.83 1rg6 s LEU 31 Cb 0.00 -2.10 0.44 0.00 0.02 0.00 0.00 46.19 44.55 1rg6 s LEU 31 CO 0.00 -0.24 1.18 0.35 0.02 0.00 0.00 176.35 177.66 1rg6 n THR 32 N 5.08 1.32 -3.63 5.49 -2.24 -1.26 -4.12 114.28 114.91 1rg6 n THR 32 Ca -0.13 -2.50 -0.16 0.00 -2.27 0.00 0.00 64.05 59.00 1rg6 n THR 32 Cb 0.49 0.30 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.29 0.02 0.22 4.28 -4.23 -1.26 -3.82 115.64 108.56 1rg6 s THR 33 Ca 0.37 -0.15 -0.07 0.00 -1.18 0.00 0.00 61.69 60.66 1rg6 s THR 33 Cb 0.38 -0.84 0.18 0.00 1.34 0.00 0.00 72.50 73.56 1rg6 s THR 33 CO -0.09 -0.08 1.81 0.40 -0.54 0.00 0.00 174.62 176.12 1rg6 h ILE 34 N 3.54 1.26 -0.25 2.99 2.04 -1.81 -2.32 117.51 122.97 1rg6 h ILE 34 Ca -0.28 -0.76 0.07 0.00 1.00 0.00 0.00 64.86 64.90 1rg6 h ILE 34 Cb 1.16 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1rg6 h ILE 34 CO 0.34 0.32 0.41 1.88 0.00 0.00 0.00 178.15 181.10 1rg6 h TYR 35 N 1.21 0.00 -0.24 1.37 0.05 -1.96 0.21 116.97 117.61 1rg6 h TYR 35 Ca 0.29 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.93 1rg6 h TYR 35 Cb 0.14 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1rg6 h TYR 35 CO 0.02 0.00 -0.44 1.96 -1.05 0.00 0.00 178.16 178.65 1rg6 h GLN 36 N 0.00 0.59 -0.19 4.88 1.08 -1.84 -3.15 115.11 116.48 1rg6 h GLN 36 Ca 0.12 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 1rg6 h GLN 36 Cb 0.93 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 1rg6 h GLN 36 CO -0.00 0.92 0.00 0.44 -0.95 0.00 0.00 178.83 179.23 1rg6 n ILE 37 N -4.01 0.23 -0.20 2.54 -5.35 0.64 -4.42 119.36 108.79 1rg6 n ILE 37 Ca -0.02 -0.61 0.01 0.00 -0.27 0.00 0.00 62.75 61.86 1rg6 n ILE 37 Cb 0.54 1.27 0.26 0.00 -1.74 0.00 0.00 39.64 39.97 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 4.62 0.94 0.00 6.28 5.08 -1.21 -2.74 114.58 127.55 1rg6 h GLU 38 Ca 0.00 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 1rg6 h GLU 38 Cb 1.00 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1rg6 h GLU 38 CO 0.00 0.62 -1.54 0.72 -1.00 0.00 0.00 179.01 177.82 1rg6 n HIS 39 N -4.43 0.75 -1.77 4.33 8.25 -1.26 -4.92 115.22 116.17 1rg6 n HIS 39 Ca 0.08 0.24 -0.41 0.00 -0.26 0.00 0.00 57.72 57.37 1rg6 n HIS 39 Cb 0.04 -0.99 -0.00 0.00 1.12 0.00 0.00 29.99 30.16 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 -3.01 2.60 0.15 4.41 1.51 -1.04 -5.01 117.35 116.96 1rg6 s TYR 40 Ca -0.04 1.04 0.02 0.00 -1.01 0.00 0.00 57.07 57.08 1rg6 s TYR 40 Cb 0.09 -4.06 0.02 0.00 -0.11 0.00 0.00 41.96 37.90 1rg6 s TYR 40 CO 0.82 -3.25 0.19 -1.13 -1.11 0.00 0.00 175.55 171.07 1rg6 n SER 41 N 0.92 0.76 -0.26 2.29 3.41 -1.26 -4.90 113.62 114.57 1rg6 n SER 41 Ca 0.03 -1.43 -0.05 0.00 -0.26 0.00 0.00 58.87 57.16 1rg6 n SER 41 Cb 0.38 -0.09 0.06 0.00 -0.26 0.00 0.00 64.21 64.30 1rg6 n SER 41 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1rg6 h MET 42 N 0.00 0.98 -0.77 4.33 2.86 -1.95 -2.12 114.93 118.25 1rg6 h MET 42 Ca -0.08 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 1rg6 h MET 42 Cb 0.33 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1rg6 h MET 42 CO 0.11 0.69 0.27 -0.44 1.06 0.00 0.00 176.91 178.61 1rg6 h ASP 43 N 0.98 1.10 -0.46 1.22 3.32 -1.99 -2.90 116.42 117.69 1rg6 h ASP 43 Ca 0.26 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 1rg6 h ASP 43 Cb -0.04 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 1rg6 h ASP 43 CO -0.05 0.99 -0.01 0.44 -1.72 0.00 0.00 179.24 178.89 1rg6 h ASP 44 N 1.14 0.86 -0.41 6.45 3.32 -1.84 -2.98 116.42 122.96 1rg6 h ASP 44 Ca 0.25 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1rg6 h ASP 44 Cb 0.26 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1rg6 h ASP 44 CO -0.01 0.93 0.09 0.25 -1.72 0.00 0.00 179.24 178.77 1rg6 h LEU 45 N 0.82 0.70 -0.31 1.55 5.85 -1.19 -3.01 115.31 119.72 1rg6 h LEU 45 Ca 0.15 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1rg6 h LEU 45 Cb 0.50 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1rg6 h LEU 45 CO 0.03 0.72 0.03 0.00 -0.34 0.00 0.00 178.44 178.87 1rg6 h ALA 46 N 1.38 0.29 -0.55 1.25 0.00 -1.42 -1.01 119.26 119.21 1rg6 h ALA 46 Ca 0.16 0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.30 1rg6 h ALA 46 Cb 0.32 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1rg6 h ALA 46 CO 0.00 -0.38 0.62 0.66 0.00 0.00 0.00 179.25 180.15 1rg6 h SER 47 N 0.12 0.00 0.00 0.00 4.64 -1.60 0.19 113.55 116.90 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 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1rg6 h SER 47 CO -0.22 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.63 1rg6 n LEU 48 N -3.59 0.03 0.00 5.97 7.94 -0.38 -4.82 117.00 122.15 1rg6 n LEU 48 Ca 0.11 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 1rg6 n LEU 48 Cb 0.82 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.76 1rg6 n LEU 48 CO 0.26 0.01 0.00 0.29 -1.11 0.00 0.00 177.39 176.84 1rg6 n LYS 49 N -0.48 0.00 -2.63 1.96 5.02 0.67 -4.81 118.16 117.89 1rg6 n LYS 49 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1rg6 n LYS 49 Cb 0.01 -2.49 -0.03 0.00 -0.02 0.00 0.00 35.03 32.50 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 -3.98 4.65 1.07 -0.18 1.01 -1.23 -5.02 121.20 117.52 1rg6 s ILE 50 Ca 0.00 1.91 -0.12 0.00 0.00 0.00 0.00 60.65 62.44 1rg6 s ILE 50 Cb 0.00 -4.22 0.23 0.00 0.01 0.00 0.00 42.46 38.47 1rg6 s ILE 50 CO 0.00 0.09 1.06 -2.16 0.00 0.00 0.00 174.94 173.94 1rg6 s PRO 51 N 1.42 -0.16 0.41 2.79 0.04 -1.26 -4.42 135.00 133.83 1rg6 s PRO 51 Ca 0.53 0.94 0.20 0.00 0.04 0.00 0.00 61.00 62.71 1rg6 s PRO 51 Cb -0.22 -1.64 0.87 0.00 0.04 0.00 0.00 34.50 33.55 1rg6 s PRO 51 CO 0.25 -3.24 1.82 0.93 0.04 0.00 0.00 177.00 176.80 1rg6 h GLU 52 N -2.28 0.00 -0.57 4.56 5.08 -1.97 -2.83 114.58 116.58 1rg6 h GLU 52 Ca -0.56 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.81 1rg6 h GLU 52 Cb 1.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 1rg6 h GLU 52 CO 0.50 0.31 0.38 0.37 -1.00 0.00 0.00 179.01 179.56 1rg6 h GLN 53 N 0.00 0.75 -0.01 2.33 4.15 -2.03 -1.30 115.11 119.00 1rg6 h GLN 53 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1rg6 h GLN 53 Cb 0.74 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1rg6 h GLN 53 CO 0.04 0.50 -0.47 1.19 -1.93 0.00 0.00 178.83 178.16 1rg6 n PHE 54 N -4.45 0.00 -0.09 3.99 3.72 -1.16 -4.07 117.46 115.40 1rg6 n PHE 54 Ca 0.05 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.31 1rg6 n PHE 54 Cb 0.05 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.48 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 1.41 0.90 -0.01 -1.08 3.08 -0.98 -2.35 114.38 115.35 1rg6 h ARG 55 Ca 0.00 -0.55 -0.27 0.00 0.07 0.00 0.00 59.98 59.24 1rg6 h ARG 55 Cb 0.60 0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.73 1rg6 h ARG 55 CO 0.00 1.19 -1.03 1.25 -1.07 0.00 0.00 179.97 180.30 1rg6 h HIS 56 N 0.70 1.05 -0.21 3.04 2.76 -1.71 -2.14 115.15 118.64 1rg6 h HIS 56 Ca 0.03 -0.57 -0.04 0.00 -2.20 0.00 0.00 60.37 57.58 1rg6 h HIS 56 Cb 1.12 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.95 1rg6 h HIS 56 CO 0.07 1.41 -0.04 0.00 -1.30 0.00 0.00 177.93 178.06 1rg6 h ALA 57 N 0.40 0.29 -0.04 5.26 0.00 -1.70 -2.38 119.26 121.09 1rg6 h ALA 57 Ca -0.13 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1rg6 h ALA 57 Cb 1.69 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.41 1rg6 h ALA 57 CO 0.20 0.06 -0.34 0.82 0.00 0.00 0.00 179.25 179.99 1rg6 h ILE 58 N 0.14 1.46 -1.01 0.00 2.04 -1.54 -3.28 117.51 115.32 1rg6 h ILE 58 Ca 0.05 -1.84 0.01 0.00 1.00 0.00 0.00 64.86 64.09 1rg6 h ILE 58 Cb 0.48 2.49 -0.05 0.00 -0.74 0.00 0.00 36.82 39.00 1rg6 h ILE 58 CO 0.02 0.52 0.67 -0.25 0.00 0.00 0.00 178.15 179.11 1rg6 h TRP 59 N -0.24 1.26 -1.01 1.37 7.01 -1.47 -2.78 115.95 120.10 1rg6 h TRP 59 Ca -0.03 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.01 1rg6 h TRP 59 Cb 1.03 -0.43 -0.05 0.00 -2.10 0.00 0.00 29.16 27.61 1rg6 h TRP 59 CO 0.14 0.79 0.67 -0.22 -2.79 0.00 0.00 178.44 177.04 1rg6 h LYS 60 N 1.36 1.32 -0.13 2.65 3.64 -1.51 -1.69 116.57 122.22 1rg6 h LYS 60 Ca 0.37 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.71 1rg6 h LYS 60 Cb -0.15 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 31.36 1rg6 h LYS 60 CO -0.08 0.88 0.12 0.78 -2.27 0.00 0.00 179.45 178.88 1rg6 h GLY 61 N 1.36 0.00 1.47 5.01 0.00 -1.55 -1.14 103.07 108.23 1rg6 h GLY 61 Ca 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.60 1rg6 h GLY 61 CO -0.08 0.00 -0.20 -2.22 0.00 0.00 0.00 176.54 174.04 1rg6 h ILE 62 N 0.00 1.26 0.13 2.60 2.04 -1.36 -2.95 117.51 119.22 1rg6 h ILE 62 Ca 0.06 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 1rg6 h ILE 62 Cb 0.30 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1rg6 h ILE 62 CO -0.00 0.41 -0.06 -0.07 0.00 0.00 0.00 178.15 178.42 1rg6 h LEU 63 N 0.55 -0.15 -1.20 1.44 3.38 -1.26 -2.58 115.31 115.49 1rg6 h LEU 63 Ca 0.09 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1rg6 h LEU 63 Cb 0.65 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 1rg6 h LEU 63 CO 0.05 -0.11 0.56 0.44 0.09 0.00 0.00 178.44 179.47 1rg6 h ASP 64 N -0.17 0.87 -0.99 -0.43 3.32 -1.60 -1.74 116.42 115.67 1rg6 h ASP 64 Ca -0.02 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1rg6 h ASP 64 Cb 0.13 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 1rg6 h ASP 64 CO 0.03 0.58 0.65 -0.74 -1.72 0.00 0.00 179.24 178.04 1rg6 h HIS 65 N 1.00 1.26 -0.76 4.55 2.76 -1.30 -2.60 115.15 120.06 1rg6 h HIS 65 Ca 0.35 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.56 1rg6 h HIS 65 Cb 0.13 -0.42 -0.04 0.00 1.55 0.00 0.00 27.41 28.63 1rg6 h HIS 65 CO -0.00 0.80 0.50 0.00 -1.30 0.00 0.00 177.93 177.93 1rg6 h ARG 66 N 1.35 1.00 -0.51 5.26 3.08 -0.95 -2.35 114.38 121.26 1rg6 h ARG 66 Ca 0.36 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.31 1rg6 h ARG 66 Cb -0.15 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.65 1rg6 h ARG 66 CO -0.08 0.67 0.15 1.96 -1.07 0.00 0.00 179.97 181.60 1rg6 h GLN 67 N 1.03 0.77 -0.30 0.04 4.20 -1.37 -2.85 115.11 116.63 1rg6 h GLN 67 Ca 0.28 -0.14 -0.19 0.00 0.06 0.00 0.00 58.65 58.67 1rg6 h GLN 67 Cb -0.12 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.54 1rg6 h GLN 67 CO -0.06 0.67 -0.54 -0.07 -0.67 0.00 0.00 178.83 178.16 1rg6 h LEU 68 N 0.75 0.99 -8.50 1.46 3.38 -1.34 -3.41 115.31 108.63 1rg6 h LEU 68 Ca 0.17 -0.53 -0.67 0.00 0.09 0.00 0.00 57.88 56.95 1rg6 h LEU 68 Cb 0.24 -0.28 -0.24 0.00 0.09 0.00 0.00 40.66 40.46 1rg6 h LEU 68 CO -0.01 1.33 -0.61 -2.28 0.09 0.00 0.00 178.44 176.96 1rg6 s HIS 69 N -4.14 3.13 -0.26 1.13 2.46 -0.92 -5.08 115.29 111.61 1rg6 s HIS 69 Ca -0.11 -0.73 -0.11 0.00 0.47 0.00 0.00 55.06 54.59 1rg6 s HIS 69 Cb 0.10 -2.27 -0.05 0.00 -0.13 0.00 0.00 32.58 30.24 1rg6 s HIS 69 CO 0.89 -0.49 0.18 -2.00 -2.47 0.00 0.00 174.74 170.85 1rg6 s GLU 70 N 1.56 4.01 0.00 2.88 2.12 -1.26 -4.68 118.70 123.33 1rg6 s GLU 70 Ca 0.04 -0.29 0.02 0.00 0.36 0.00 0.00 54.97 55.09 1rg6 s GLU 70 Cb -0.16 -3.60 0.01 0.00 0.26 0.00 0.00 34.13 30.64 1rg6 s GLU 70 CO 0.03 -0.06 0.55 0.34 -0.54 0.00 0.00 175.26 175.58