#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 0.20 0.11 0.52 -4.23 -1.26 -5.17 115.64 105.81 1rg6 s THR 6 Ca 0.00 -1.08 -0.11 0.00 -1.18 0.00 0.00 61.69 59.32 1rg6 s THR 6 Cb 0.00 -0.51 0.01 0.00 1.34 0.00 0.00 72.50 73.33 1rg6 s THR 6 CO 0.00 -0.56 0.26 1.51 -0.54 0.00 0.00 174.62 175.29 1rg6 s ASP 7 N -1.71 0.01 -0.26 3.99 -4.77 -1.26 -5.05 116.67 107.62 1rg6 s ASP 7 Ca -0.11 -0.58 0.12 0.00 -3.30 0.00 0.00 52.55 48.68 1rg6 s ASP 7 Cb -0.07 0.39 0.64 0.00 -1.09 0.00 0.00 42.92 42.78 1rg6 s ASP 7 CO -0.02 -0.78 1.61 0.00 0.70 0.00 0.00 175.17 176.68 1rg6 n SER 9 N -0.41 -0.86 0.21 0.00 3.41 -1.26 -3.14 113.62 111.57 1rg6 n SER 9 Ca 0.32 0.10 0.08 0.00 -0.26 0.00 0.00 58.87 59.11 1rg6 n SER 9 Cb 1.15 -1.35 0.45 0.00 -0.26 0.00 0.00 64.21 64.20 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 -2.33 0.79 0.28 -1.33 2.04 -1.83 -3.22 117.51 111.91 1rg6 h ILE 10 Ca -0.53 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.12 1rg6 h ILE 10 Cb 1.31 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1rg6 h ILE 10 CO 0.45 0.28 -0.13 0.58 0.00 0.00 0.00 178.15 179.33 1rg6 h VAL 11 N 0.00 0.73 -1.00 1.67 2.07 -1.90 -2.19 116.25 115.62 1rg6 h VAL 11 Ca -0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1rg6 h VAL 11 Cb 0.72 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1rg6 h VAL 11 CO 0.04 0.00 0.66 0.28 0.02 0.00 0.00 177.57 178.57 1rg6 h SER 12 N -0.37 1.15 -0.65 0.57 0.02 -1.92 -2.76 113.55 109.58 1rg6 h SER 12 Ca -0.04 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1rg6 h SER 12 Cb 0.29 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1rg6 h SER 12 CO 0.06 0.83 0.43 0.15 -1.14 0.00 0.00 176.83 177.16 1rg6 h PHE 13 N 1.35 0.82 -0.75 3.45 3.57 -1.52 -2.72 116.94 121.14 1rg6 h PHE 13 Ca 0.36 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.83 1rg6 h PHE 13 Cb -0.15 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.28 1rg6 h PHE 13 CO -0.00 0.51 0.26 -0.07 -2.23 0.00 0.00 178.31 176.78 1rg6 h LEU 14 N 0.88 1.08 -0.82 0.59 3.38 -1.12 -2.81 115.31 116.50 1rg6 h LEU 14 Ca 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1rg6 h LEU 14 Cb -0.10 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.33 1rg6 h LEU 14 CO -0.05 0.99 0.47 0.00 0.09 0.00 0.00 178.44 179.93 1rg6 h ALA 15 N 1.13 1.05 -0.00 1.53 0.00 -1.33 -0.36 119.26 121.28 1rg6 h ALA 15 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1rg6 h ALA 15 Cb 0.28 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1rg6 h ALA 15 CO -0.01 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.77 1rg6 h ARG 16 N 1.13 0.00 -0.66 0.00 2.47 -1.22 -0.20 114.38 115.90 1rg6 h ARG 16 Ca 0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 1rg6 h ARG 16 Cb -0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1rg6 h ARG 16 CO -0.05 0.00 0.00 -0.11 0.56 0.00 0.00 179.97 180.37 1rg6 n LEU 17 N -4.48 3.94 -1.94 3.04 7.94 -0.80 -4.88 117.00 119.82 1rg6 n LEU 17 Ca -0.03 -1.99 -0.19 0.00 -1.11 0.00 0.00 56.01 52.68 1rg6 n LEU 17 Cb 0.09 -0.56 -0.04 0.00 0.53 0.00 0.00 43.42 43.45 1rg6 n LEU 17 CO 0.33 0.57 -0.22 0.61 -1.11 0.00 0.00 177.39 177.57 1rg6 n GLY 18 N 0.69 0.43 3.17 -3.96 0.00 -0.09 -4.97 105.19 100.46 1rg6 n GLY 18 Ca 0.19 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 3.61 -0.17 -0.08 0.00 7.64 -1.26 -3.18 113.62 120.18 1rg6 n SER 20 Ca -0.20 -1.58 -0.06 0.00 1.01 0.00 0.00 58.87 58.04 1rg6 n SER 20 Cb 0.53 0.01 -0.15 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.06 0.23 -0.72 6.43 3.41 -1.26 -4.32 113.62 117.45 1rg6 n SER 21 Ca -0.07 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.64 1rg6 n SER 21 Cb 0.67 1.14 0.30 0.00 -0.26 0.00 0.00 64.21 66.05 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 2.69 0.75 -1.55 0.00 5.85 -1.94 -2.45 115.31 118.66 1rg6 h LEU 23 Ca 0.00 -0.01 0.21 0.00 0.84 0.00 0.00 57.88 58.92 1rg6 h LEU 23 Cb 0.60 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1rg6 h LEU 23 CO 0.00 0.54 0.61 -0.78 -0.34 0.00 0.00 178.44 178.46 1rg6 h ASP 24 N 0.89 0.36 -0.76 1.25 1.82 -1.89 -0.14 116.42 117.95 1rg6 h ASP 24 Ca 0.26 0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 56.88 1rg6 h ASP 24 Cb -0.07 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 39.89 1rg6 h ASP 24 CO -0.07 0.14 0.25 1.88 -1.61 0.00 0.00 179.24 179.83 1rg6 h TYR 25 N 0.36 1.22 -0.52 0.28 0.05 -1.75 -1.61 116.97 114.98 1rg6 h TYR 25 Ca 0.47 -0.12 -0.12 0.00 0.05 0.00 0.00 58.73 59.01 1rg6 h TYR 25 Cb 1.26 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.63 1rg6 h TYR 25 CO -0.00 0.95 -0.16 0.74 -1.05 0.00 0.00 178.16 178.64 1rg6 h PHE 26 N 1.13 1.16 -0.57 4.88 0.04 -1.10 -2.77 116.94 119.70 1rg6 h PHE 26 Ca 0.25 -0.26 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1rg6 h PHE 26 Cb 0.29 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 1rg6 h PHE 26 CO 0.03 1.09 0.08 1.79 -0.60 0.00 0.00 178.31 180.70 1rg6 h THR 27 N 0.90 1.26 0.00 -1.55 1.35 -1.20 -2.14 112.91 111.52 1rg6 h THR 27 Ca 0.13 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1rg6 h THR 27 Cb 0.73 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1rg6 h THR 27 CO 0.06 0.36 0.00 0.41 -0.25 0.00 0.00 175.52 176.10 1rg6 n THR 28 N -4.32 0.86 0.48 6.82 -1.04 -0.63 -2.80 114.28 113.65 1rg6 n THR 28 Ca 0.02 0.29 0.10 0.00 -2.04 0.00 0.00 64.05 62.42 1rg6 n THR 28 Cb 0.28 -1.22 -0.14 0.00 -1.82 0.00 0.00 70.33 67.43 1rg6 n THR 28 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rg6 n GLN 29 N -2.22 0.50 -0.52 -2.82 1.13 -0.86 -4.98 117.38 107.60 1rg6 n GLN 29 Ca 0.02 -0.09 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1rg6 n GLN 29 Cb 0.21 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.09 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 1.40 0.68 3.46 1.08 0.00 -0.89 -5.05 105.19 105.86 1rg6 n GLY 30 Ca 0.00 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 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 4.28 -0.06 0.99 1.43 -0.91 -4.93 118.68 119.48 1rg6 s LEU 31 Ca 0.00 -0.55 0.15 0.00 -1.03 0.00 0.00 54.13 52.70 1rg6 s LEU 31 Cb 0.00 -2.04 0.28 0.00 0.03 0.00 0.00 46.19 44.46 1rg6 s LEU 31 CO 0.00 -0.23 1.13 0.35 0.23 0.00 0.00 176.35 177.83 1rg6 n THR 32 N 5.02 0.72 -3.76 5.49 -2.24 -1.26 -4.42 114.28 113.81 1rg6 n THR 32 Ca -0.13 -1.34 -0.13 0.00 -2.27 0.00 0.00 64.05 60.18 1rg6 n THR 32 Cb 0.49 0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.07 -0.00 0.25 4.28 -4.23 -1.26 -3.72 115.64 109.89 1rg6 s THR 33 Ca 0.25 0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 60.70 1rg6 s THR 33 Cb 0.26 -0.45 0.25 0.00 1.34 0.00 0.00 72.50 73.90 1rg6 s THR 33 CO -0.07 0.00 1.92 0.40 -0.54 0.00 0.00 174.62 176.33 1rg6 h ILE 34 N 4.71 1.26 -0.29 2.99 2.04 -1.79 -1.82 117.51 124.60 1rg6 h ILE 34 Ca -0.27 -0.50 0.09 0.00 1.00 0.00 0.00 64.86 65.18 1rg6 h ILE 34 Cb 1.19 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1rg6 h ILE 34 CO 0.31 0.26 0.52 1.88 0.00 0.00 0.00 178.15 181.12 1rg6 h TYR 35 N 1.33 0.00 -0.30 1.37 0.05 -1.96 0.25 116.97 117.72 1rg6 h TYR 35 Ca 0.36 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.98 1rg6 h TYR 35 Cb -0.12 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 1rg6 h TYR 35 CO 0.00 0.00 -0.43 1.96 -1.05 0.00 0.00 178.16 178.64 1rg6 h GLN 36 N 0.00 0.74 -0.44 4.88 1.08 -1.75 -3.22 115.11 116.40 1rg6 h GLN 36 Ca 0.14 -0.40 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1rg6 h GLN 36 Cb 1.18 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1rg6 h GLN 36 CO -0.00 1.03 0.00 0.44 -0.95 0.00 0.00 178.83 179.35 1rg6 n ILE 37 N -4.03 2.07 -0.33 2.54 -5.35 0.82 -4.66 119.36 110.42 1rg6 n ILE 37 Ca -0.02 -1.47 -0.01 0.00 -0.27 0.00 0.00 62.75 60.97 1rg6 n ILE 37 Cb 0.55 -0.04 0.15 0.00 -1.74 0.00 0.00 39.64 38.56 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 2.88 1.23 -0.02 6.28 4.39 -1.36 -2.80 114.58 125.18 1rg6 h GLU 38 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1rg6 h GLU 38 Cb 1.45 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1rg6 h GLU 38 CO 0.25 0.81 -0.34 -2.39 -1.16 0.00 0.00 179.01 176.18 1rg6 n HIS 39 N -4.39 0.00 -1.84 4.33 1.44 -1.26 -4.98 115.22 108.52 1rg6 n HIS 39 Ca 0.11 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.42 1rg6 n HIS 39 Cb 0.02 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.14 1rg6 n HIS 39 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1rg6 s TYR 40 N -2.24 2.56 0.55 -1.40 1.51 -1.06 -5.02 117.35 112.26 1rg6 s TYR 40 Ca 0.19 1.25 0.09 0.00 -1.01 0.00 0.00 57.07 57.59 1rg6 s TYR 40 Cb 0.17 -3.92 0.07 0.00 -0.11 0.00 0.00 41.96 38.18 1rg6 s TYR 40 CO 0.48 -2.82 0.69 -1.12 -1.11 0.00 0.00 175.55 171.66 1rg6 s SER 41 N -0.41 5.04 0.18 2.29 0.01 -1.26 -4.95 113.70 114.59 1rg6 s SER 41 Ca 0.57 -0.90 -0.13 0.00 1.31 0.00 0.00 55.95 56.80 1rg6 s SER 41 Cb -0.44 0.24 0.08 0.00 0.21 0.00 0.00 66.02 66.12 1rg6 s SER 41 CO 0.58 -1.24 1.80 0.24 0.41 0.00 0.00 173.24 175.03 1rg6 h MET 42 N 0.35 0.82 -0.62 12.44 2.86 -1.95 -2.21 114.93 126.61 1rg6 h MET 42 Ca -0.32 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.14 1rg6 h MET 42 Cb 1.29 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 1rg6 h MET 42 CO 0.45 0.60 0.02 -0.44 1.06 0.00 0.00 176.91 178.60 1rg6 h ASP 43 N 0.80 1.06 -0.80 1.22 3.32 -1.98 -2.82 116.42 117.22 1rg6 h ASP 43 Ca 0.21 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.97 1rg6 h ASP 43 Cb 0.01 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 1rg6 h ASP 43 CO -0.04 1.10 0.53 0.44 -1.72 0.00 0.00 179.24 179.55 1rg6 h ASP 44 N 0.99 0.92 0.26 6.45 3.32 -1.87 -2.06 116.42 124.43 1rg6 h ASP 44 Ca 0.18 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1rg6 h ASP 44 Cb 0.54 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1rg6 h ASP 44 CO 0.03 0.67 -0.21 0.25 -1.72 0.00 0.00 179.24 178.26 1rg6 h LEU 45 N 1.09 0.00 -0.43 1.55 5.85 -1.14 -3.08 115.31 119.15 1rg6 h LEU 45 Ca 0.29 0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.09 1rg6 h LEU 45 Cb -0.12 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 1rg6 h LEU 45 CO -0.06 0.21 0.04 0.00 -0.34 0.00 0.00 178.44 178.29 1rg6 h ALA 46 N 1.79 0.43 -0.59 1.25 0.00 -1.33 0.37 119.26 121.18 1rg6 h ALA 46 Ca -0.00 0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.18 1rg6 h ALA 46 Cb 0.39 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1rg6 h ALA 46 CO 0.03 -0.35 0.63 1.03 0.00 0.00 0.00 179.25 180.58 1rg6 h SER 47 N 0.16 0.00 0.00 0.00 0.87 -1.67 0.24 113.55 113.15 1rg6 h SER 47 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1rg6 h SER 47 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1rg6 h SER 47 CO -0.31 0.00 0.00 -0.11 -0.53 0.00 0.00 176.83 175.88 1rg6 n LEU 48 N -3.64 0.00 0.00 2.23 7.94 0.12 -4.82 117.00 118.82 1rg6 n LEU 48 Ca 0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 1rg6 n LEU 48 Cb 0.85 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.80 1rg6 n LEU 48 CO 0.27 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.84 1rg6 n LYS 49 N -0.85 -0.00 -2.47 1.96 5.02 0.83 -4.87 118.16 117.79 1rg6 n LYS 49 Ca 0.10 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.98 1rg6 n LYS 49 Cb 0.05 -2.66 -0.04 0.00 -0.02 0.00 0.00 35.03 32.36 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 3.90 1.15 -0.18 1.01 -1.25 -5.02 121.20 117.09 1rg6 s ILE 50 Ca 0.00 1.52 -0.15 0.00 0.00 0.00 0.00 60.65 62.03 1rg6 s ILE 50 Cb 0.00 -3.97 0.27 0.00 0.01 0.00 0.00 42.46 38.76 1rg6 s ILE 50 CO 0.00 0.21 1.05 -2.16 0.00 0.00 0.00 174.94 174.04 1rg6 s PRO 51 N 0.17 -0.81 0.49 2.79 0.04 -1.26 -4.64 135.00 131.78 1rg6 s PRO 51 Ca 0.53 0.48 0.28 0.00 0.04 0.00 0.00 61.00 62.34 1rg6 s PRO 51 Cb -0.30 -1.60 1.16 0.00 0.04 0.00 0.00 34.50 33.81 1rg6 s PRO 51 CO 0.33 -3.56 1.92 0.93 0.04 0.00 0.00 177.00 176.66 1rg6 h GLU 52 N -2.49 0.00 -0.05 4.56 5.08 -1.99 -2.99 114.58 116.70 1rg6 h GLU 52 Ca -0.55 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1rg6 h GLU 52 Cb 1.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1rg6 h GLU 52 CO 0.49 0.14 0.03 0.37 -1.00 0.00 0.00 179.01 179.03 1rg6 h GLN 53 N 0.00 0.07 -0.02 2.33 4.15 -2.03 -1.84 115.11 117.77 1rg6 h GLN 53 Ca -0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1rg6 h GLN 53 Cb 0.60 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1rg6 h GLN 53 CO 0.02 0.05 -0.26 1.19 -1.93 0.00 0.00 178.83 177.89 1rg6 n PHE 54 N -4.53 0.00 -0.02 3.99 3.01 -1.13 -4.05 117.46 114.73 1rg6 n PHE 54 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.31 1rg6 n PHE 54 Cb 0.09 -0.01 -0.10 0.00 -0.01 0.00 0.00 39.48 39.45 1rg6 n PHE 54 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1rg6 h ARG 55 N 3.19 0.05 -0.00 -1.08 3.08 -1.35 -2.45 114.38 115.81 1rg6 h ARG 55 Ca 0.00 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.81 1rg6 h ARG 55 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 1rg6 h ARG 55 CO 0.00 0.55 -0.90 1.12 -1.07 0.00 0.00 179.97 179.67 1rg6 h HIS 56 N -0.45 0.46 -0.01 3.04 2.07 -1.77 -2.43 115.15 116.06 1rg6 h HIS 56 Ca 0.00 -0.25 -0.00 0.00 -2.85 0.00 0.00 60.37 57.27 1rg6 h HIS 56 Cb 0.54 -0.05 -0.00 0.00 2.57 0.00 0.00 27.41 30.46 1rg6 h HIS 56 CO 0.10 1.06 0.01 0.00 -3.07 0.00 0.00 177.93 176.03 1rg6 h ALA 57 N 0.86 0.02 -0.10 6.11 0.00 -1.70 -2.37 119.26 122.08 1rg6 h ALA 57 Ca -0.06 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1rg6 h ALA 57 Cb 1.52 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.32 1rg6 h ALA 57 CO 0.15 -0.42 -0.60 0.82 0.00 0.00 0.00 179.25 179.20 1rg6 h ILE 58 N -0.11 1.35 -0.57 0.00 2.04 -1.53 -3.27 117.51 115.41 1rg6 h ILE 58 Ca 0.00 -1.90 0.01 0.00 1.00 0.00 0.00 64.86 63.97 1rg6 h ILE 58 Cb 0.13 2.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 1rg6 h ILE 58 CO -0.00 0.58 0.38 -0.25 0.00 0.00 0.00 178.15 178.86 1rg6 h TRP 59 N 0.20 0.71 -0.96 1.37 7.01 -1.47 -2.53 115.95 120.29 1rg6 h TRP 59 Ca -0.05 0.02 0.01 0.00 2.11 0.00 0.00 58.89 60.98 1rg6 h TRP 59 Cb 1.25 -0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 28.02 1rg6 h TRP 59 CO 0.11 0.45 0.63 -0.22 -2.79 0.00 0.00 178.44 176.62 1rg6 h LYS 60 N 0.77 1.27 -0.05 2.65 3.64 -1.47 -2.24 116.57 121.13 1rg6 h LYS 60 Ca 0.21 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 1rg6 h LYS 60 Cb -0.08 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.44 1rg6 h LYS 60 CO -0.05 0.84 -0.55 0.78 -2.27 0.00 0.00 179.45 178.21 1rg6 h GLY 61 N 1.30 0.16 1.06 5.01 0.00 -1.56 -3.17 103.07 105.86 1rg6 h GLY 61 Ca 0.35 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 1rg6 h GLY 61 CO -0.08 0.16 0.26 -2.22 0.00 0.00 0.00 176.54 174.66 1rg6 h ILE 62 N 0.11 1.26 0.00 2.60 1.08 -1.20 -2.82 117.51 118.54 1rg6 h ILE 62 Ca -0.00 -0.90 -0.00 0.00 -0.39 0.00 0.00 64.86 63.57 1rg6 h ILE 62 Cb 1.00 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1rg6 h ILE 62 CO 0.08 0.36 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.83 1rg6 h LEU 63 N 1.14 -0.00 -1.00 1.44 3.38 -1.49 -2.59 115.31 116.20 1rg6 h LEU 63 Ca 0.25 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1rg6 h LEU 63 Cb 0.29 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1rg6 h LEU 63 CO -0.01 0.00 0.63 0.44 0.09 0.00 0.00 178.44 179.59 1rg6 h ASP 64 N -0.00 1.15 -0.63 -0.43 3.32 -1.63 -2.60 116.42 115.61 1rg6 h ASP 64 Ca -0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1rg6 h ASP 64 Cb 0.00 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1rg6 h ASP 64 CO 0.00 0.85 0.40 -0.74 -1.72 0.00 0.00 179.24 178.02 1rg6 h HIS 65 N 1.35 0.81 -0.92 4.55 2.76 -1.29 -2.28 115.15 120.13 1rg6 h HIS 65 Ca 0.36 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.54 1rg6 h HIS 65 Cb -0.12 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 28.52 1rg6 h HIS 65 CO 0.00 0.54 0.61 -0.09 -1.30 0.00 0.00 177.93 177.69 1rg6 h ARG 66 N 0.85 1.21 -0.89 5.26 2.43 -1.10 -2.34 114.38 119.81 1rg6 h ARG 66 Ca 0.23 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1rg6 h ARG 66 Cb -0.06 -0.27 -0.04 0.00 -0.42 0.00 0.00 29.97 29.18 1rg6 h ARG 66 CO -0.05 0.80 0.59 1.96 -1.51 0.00 0.00 179.97 181.77 1rg6 h GLN 67 N 1.25 1.18 -0.12 0.20 4.20 -1.10 -2.10 115.11 118.61 1rg6 h GLN 67 Ca 0.34 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.85 1rg6 h GLN 67 Cb -0.15 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.36 1rg6 h GLN 67 CO -0.07 0.78 -0.48 -0.07 -0.67 0.00 0.00 178.83 178.32 1rg6 h LEU 68 N 1.21 0.33-10.47 1.46 3.38 -1.23 -3.44 115.31 106.55 1rg6 h LEU 68 Ca 0.33 -0.16 -0.43 0.00 0.09 0.00 0.00 57.88 57.71 1rg6 h LEU 68 Cb -0.14 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 40.54 1rg6 h LEU 68 CO -0.07 0.76 -0.21 -1.00 0.09 0.00 0.00 178.44 178.01 1rg6 s HIS 69 N -4.03 2.69 0.12 1.13 3.76 -0.79 -5.13 115.29 113.04 1rg6 s HIS 69 Ca -0.05 -0.37 -0.11 0.00 -0.15 0.00 0.00 55.06 54.38 1rg6 s HIS 69 Cb 0.13 -2.43 0.01 0.00 1.11 0.00 0.00 32.58 31.40 1rg6 s HIS 69 CO 0.79 -0.56 0.29 -1.83 -0.85 0.00 0.00 174.74 172.58 1rg6 s GLU 70 N -4.44 1.00 0.00 1.40 -1.05 -1.26 -4.85 118.70 109.50 1rg6 s GLU 70 Ca 0.56 -0.92 0.28 0.00 -0.15 0.00 0.00 54.97 54.75 1rg6 s GLU 70 Cb -0.10 0.40 1.12 0.00 -0.44 0.00 0.00 34.13 35.11 1rg6 s GLU 70 CO 0.34 -0.36 1.79 1.19 0.95 0.00 0.00 175.26 179.17