#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 1.37 -0.01 0.52 -4.23 -1.26 -5.15 115.64 106.88 1rg6 s THR 6 Ca 0.00 -1.59 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 1rg6 s THR 6 Cb 0.00 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.41 1rg6 s THR 6 CO 0.00 -0.30 -0.03 -0.62 -0.54 0.00 0.00 174.62 173.14 1rg6 s ASP 7 N -2.18 0.38 -1.37 3.99 -1.08 -1.26 -4.87 116.67 110.28 1rg6 s ASP 7 Ca 0.06 -0.05 -0.00 0.00 -0.52 0.00 0.00 52.55 52.03 1rg6 s ASP 7 Cb -0.07 -0.07 0.00 0.00 -1.46 0.00 0.00 42.92 41.32 1rg6 s ASP 7 CO 0.03 0.02 0.53 0.00 0.52 0.00 0.00 175.17 176.27 1rg6 n SER 9 N -3.01 -2.31 0.02 0.00 3.41 -1.26 -2.78 113.62 107.68 1rg6 n SER 9 Ca -0.31 -0.26 -0.05 0.00 -0.26 0.00 0.00 58.87 58.00 1rg6 n SER 9 Cb 0.68 -1.11 0.16 0.00 -0.26 0.00 0.00 64.21 63.69 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 -2.63 1.29 -0.08 -1.33 1.08 -1.84 -3.27 117.51 110.74 1rg6 h ILE 10 Ca -0.57 -1.45 0.04 0.00 -0.39 0.00 0.00 64.86 62.48 1rg6 h ILE 10 Cb 1.33 1.50 -0.05 0.00 -3.07 0.00 0.00 36.82 36.53 1rg6 h ILE 10 CO 0.43 0.45 -0.20 0.58 -0.69 0.00 0.00 178.15 178.72 1rg6 h VAL 11 N 0.41 0.51 -1.00 1.67 2.07 -1.90 -2.56 116.25 115.44 1rg6 h VAL 11 Ca 0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1rg6 h VAL 11 Cb 0.80 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1rg6 h VAL 11 CO 0.06 0.00 0.66 0.28 0.02 0.00 0.00 177.57 178.60 1rg6 h SER 12 N -0.28 1.15 -0.44 0.57 0.02 -1.92 -2.88 113.55 109.77 1rg6 h SER 12 Ca 0.08 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1rg6 h SER 12 Cb 0.40 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1rg6 h SER 12 CO -0.24 0.84 0.29 0.15 -1.14 0.00 0.00 176.83 176.73 1rg6 h PHE 13 N 1.36 0.55 -0.97 3.45 3.57 -1.53 -2.70 116.94 120.68 1rg6 h PHE 13 Ca 0.37 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 1rg6 h PHE 13 Cb -0.16 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.35 1rg6 h PHE 13 CO -0.00 0.35 0.60 -0.07 -2.23 0.00 0.00 178.31 176.95 1rg6 h LEU 14 N 0.60 1.15 -0.84 0.59 3.38 -1.26 -2.51 115.31 116.42 1rg6 h LEU 14 Ca 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1rg6 h LEU 14 Cb -0.06 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 1rg6 h LEU 14 CO -0.04 0.87 0.54 0.00 0.09 0.00 0.00 178.44 179.90 1rg6 h ALA 15 N 1.33 1.07 -0.18 1.53 0.00 -1.34 0.18 119.26 121.84 1rg6 h ALA 15 Ca 0.35 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1rg6 h ALA 15 Cb -0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1rg6 h ALA 15 CO -0.07 0.50 0.12 0.00 0.00 0.00 0.00 179.25 179.80 1rg6 h ARG 16 N 1.14 0.22 -0.56 0.00 2.47 -1.18 -0.43 114.38 116.05 1rg6 h ARG 16 Ca 0.31 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 1rg6 h ARG 16 Cb -0.10 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.17 1rg6 h ARG 16 CO -0.06 0.15 0.00 -0.11 0.56 0.00 0.00 179.97 180.51 1rg6 n LEU 17 N -4.51 3.11 -1.65 3.04 7.94 -0.83 -4.89 117.00 119.21 1rg6 n LEU 17 Ca -0.00 -1.56 -0.14 0.00 -1.11 0.00 0.00 56.01 53.19 1rg6 n LEU 17 Cb 0.09 -0.41 -0.01 0.00 0.53 0.00 0.00 43.42 43.62 1rg6 n LEU 17 CO 0.35 0.64 -0.19 0.61 -1.11 0.00 0.00 177.39 177.69 1rg6 n GLY 18 N 1.08 -0.22 3.25 -3.96 0.00 -0.17 -5.00 105.19 100.18 1rg6 n GLY 18 Ca 0.18 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 2.38 -0.52 -0.00 0.00 7.64 -1.26 -2.94 113.62 118.91 1rg6 n SER 20 Ca -0.16 -1.48 0.04 0.00 1.01 0.00 0.00 58.87 58.28 1rg6 n SER 20 Cb 0.52 0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.82 1rg6 n SER 20 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1rg6 n SER 21 N 0.00 3.03 -0.80 6.43 2.88 -1.26 -4.56 113.62 119.34 1rg6 n SER 21 Ca -0.15 -0.03 0.12 0.00 -1.33 0.00 0.00 58.87 57.49 1rg6 n SER 21 Cb 0.59 1.36 0.28 0.00 -0.75 0.00 0.00 64.21 65.69 1rg6 n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rg6 h LEU 23 N 3.64 1.02 -1.32 0.00 5.85 -1.95 -2.41 115.31 120.14 1rg6 h LEU 23 Ca 0.00 0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.91 1rg6 h LEU 23 Cb 0.78 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.52 1rg6 h LEU 23 CO 0.00 0.66 0.60 0.44 -0.34 0.00 0.00 178.44 179.79 1rg6 h ASP 24 N 1.16 0.57 -0.56 1.25 3.32 -1.92 -1.83 116.42 118.41 1rg6 h ASP 24 Ca 0.42 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.51 1rg6 h ASP 24 Cb 0.16 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1rg6 h ASP 24 CO -0.16 0.24 0.28 1.88 -1.72 0.00 0.00 179.24 179.76 1rg6 h TYR 25 N 0.58 0.79 -0.60 4.55 0.05 -1.75 -1.53 116.97 119.06 1rg6 h TYR 25 Ca 0.49 -0.03 -0.10 0.00 0.05 0.00 0.00 58.73 59.14 1rg6 h TYR 25 Cb 0.97 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 1rg6 h TYR 25 CO -0.00 0.60 -0.01 0.74 -1.05 0.00 0.00 178.16 178.43 1rg6 h PHE 26 N 0.76 1.18 -0.69 4.88 0.04 -1.45 -2.87 116.94 118.78 1rg6 h PHE 26 Ca 0.19 -0.21 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 1rg6 h PHE 26 Cb 0.09 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 1rg6 h PHE 26 CO -0.01 1.04 0.15 1.79 -0.60 0.00 0.00 178.31 180.69 1rg6 h THR 27 N 0.98 1.26 0.00 -1.55 1.35 -1.23 -1.70 112.91 112.02 1rg6 h THR 27 Ca 0.17 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1rg6 h THR 27 Cb 0.58 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1rg6 h THR 27 CO 0.03 0.38 0.00 0.74 -0.25 0.00 0.00 175.52 176.42 1rg6 h THR 28 N 1.05 0.00 0.00 6.82 2.02 -1.15 -2.96 112.91 118.69 1rg6 h THR 28 Ca 0.22 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1rg6 h THR 28 Cb 0.39 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1rg6 h THR 28 CO 0.01 0.00 -1.15 0.00 0.37 0.00 0.00 175.52 174.75 1rg6 n GLN 29 N -2.65 0.58 -0.20 6.66 1.13 -0.88 -4.98 117.38 117.05 1rg6 n GLN 29 Ca 0.01 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 1rg6 n GLN 29 Cb 0.22 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.14 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 1.44 0.86 3.50 1.08 0.00 -0.88 -5.05 105.19 106.13 1rg6 n GLY 30 Ca 0.02 0.00 -0.42 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 4.77 -0.07 0.99 1.02 -0.69 -4.90 118.68 119.81 1rg6 s LEU 31 Ca 0.00 -0.58 0.11 0.00 0.02 0.00 0.00 54.13 53.68 1rg6 s LEU 31 Cb 0.00 -2.36 0.20 0.00 0.02 0.00 0.00 46.19 44.06 1rg6 s LEU 31 CO 0.00 -0.51 1.10 0.35 0.02 0.00 0.00 176.35 177.31 1rg6 n THR 32 N 5.36 0.90 -3.80 5.49 -2.24 -1.26 -4.12 114.28 114.62 1rg6 n THR 32 Ca -0.08 -1.28 -0.13 0.00 -2.27 0.00 0.00 64.05 60.29 1rg6 n THR 32 Cb 0.48 0.22 -0.11 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.36 0.02 0.25 4.28 -4.23 -1.26 -3.19 115.64 110.14 1rg6 s THR 33 Ca 0.20 -0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 60.48 1rg6 s THR 33 Cb 0.19 -0.40 0.26 0.00 1.34 0.00 0.00 72.50 73.89 1rg6 s THR 33 CO -0.02 -0.09 1.93 0.40 -0.54 0.00 0.00 174.62 176.30 1rg6 h ILE 34 N 4.56 1.26 -0.35 2.99 1.08 -1.75 -1.78 117.51 123.52 1rg6 h ILE 34 Ca -0.27 -0.48 0.10 0.00 -0.39 0.00 0.00 64.86 63.82 1rg6 h ILE 34 Cb 1.19 -0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 1rg6 h ILE 34 CO 0.37 0.25 0.50 1.88 -0.69 0.00 0.00 178.15 180.46 1rg6 h TYR 35 N 1.36 0.00 -0.33 1.37 0.05 -1.87 0.14 116.97 117.69 1rg6 h TYR 35 Ca 0.37 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 59.00 1rg6 h TYR 35 Cb -0.15 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1rg6 h TYR 35 CO 0.00 0.00 -0.40 1.96 -1.05 0.00 0.00 178.16 178.67 1rg6 h GLN 36 N 0.00 0.79 -0.59 4.88 1.08 -1.74 -3.21 115.11 116.33 1rg6 h GLN 36 Ca 0.17 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1rg6 h GLN 36 Cb 1.17 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1rg6 h GLN 36 CO -0.00 1.05 0.00 0.44 -0.95 0.00 0.00 178.83 179.37 1rg6 n ILE 37 N -4.04 0.90 -0.24 2.54 -5.35 0.39 -4.53 119.36 109.03 1rg6 n ILE 37 Ca -0.02 -0.95 0.00 0.00 -0.27 0.00 0.00 62.75 61.51 1rg6 n ILE 37 Cb 0.54 0.59 0.22 0.00 -1.74 0.00 0.00 39.64 39.25 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 3.80 1.04 0.00 6.28 4.39 -1.31 -2.89 114.58 125.89 1rg6 h GLU 38 Ca 0.00 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1rg6 h GLU 38 Cb 0.93 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1rg6 h GLU 38 CO 0.00 0.69 -1.67 0.72 -1.16 0.00 0.00 179.01 177.59 1rg6 n HIS 39 N -4.41 0.34 -1.82 4.33 8.25 -1.26 -4.95 115.22 115.69 1rg6 n HIS 39 Ca 0.09 0.10 -0.38 0.00 -0.26 0.00 0.00 57.72 57.27 1rg6 n HIS 39 Cb 0.03 -0.68 0.04 0.00 1.12 0.00 0.00 29.99 30.50 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 -3.43 2.30 0.41 4.41 1.51 -1.09 -5.03 117.35 116.43 1rg6 s TYR 40 Ca -0.05 1.41 0.08 0.00 -1.01 0.00 0.00 57.07 57.49 1rg6 s TYR 40 Cb 0.12 -3.74 -0.00 0.00 -0.11 0.00 0.00 41.96 38.23 1rg6 s TYR 40 CO 0.87 -2.78 0.50 -1.12 -1.11 0.00 0.00 175.55 171.91 1rg6 s SER 41 N -1.08 5.46 0.23 2.29 0.01 -1.26 -4.97 113.70 114.38 1rg6 s SER 41 Ca 0.73 -0.52 -0.08 0.00 1.31 0.00 0.00 55.95 57.39 1rg6 s SER 41 Cb -0.39 -0.66 0.20 0.00 0.21 0.00 0.00 66.02 65.39 1rg6 s SER 41 CO 0.45 -0.70 1.88 0.00 0.41 0.00 0.00 173.24 175.27 1rg6 h MET 42 N 0.79 1.20 -0.70 12.44 -0.00 -1.96 -1.96 114.93 124.73 1rg6 h MET 42 Ca -0.41 -0.10 -0.07 0.00 -0.00 0.00 0.00 59.70 59.11 1rg6 h MET 42 Cb 1.27 -0.25 -0.03 0.00 -0.00 0.00 0.00 31.60 32.59 1rg6 h MET 42 CO 0.50 0.83 0.15 -0.44 -0.00 0.00 0.00 176.91 177.94 1rg6 h ASP 43 N 1.21 1.08 -0.05 -0.10 3.32 -1.95 -2.42 116.42 117.52 1rg6 h ASP 43 Ca 0.32 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 1rg6 h ASP 43 Cb -0.06 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 1rg6 h ASP 43 CO -0.06 1.05 -0.08 0.44 -1.72 0.00 0.00 179.24 178.87 1rg6 h ASP 44 N 1.07 0.28 0.67 6.45 3.32 -1.84 -2.01 116.42 124.36 1rg6 h ASP 44 Ca 0.22 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1rg6 h ASP 44 Cb 0.41 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 1rg6 h ASP 44 CO 0.01 0.40 -0.03 0.25 -1.72 0.00 0.00 179.24 178.15 1rg6 h LEU 45 N 0.29 0.00 -0.50 1.55 5.85 -0.85 -3.17 115.31 118.48 1rg6 h LEU 45 Ca 0.06 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1rg6 h LEU 45 Cb 0.33 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1rg6 h LEU 45 CO 0.02 0.03 0.20 0.00 -0.34 0.00 0.00 178.44 178.34 1rg6 h ALA 46 N 1.97 0.62 -0.13 1.25 0.00 -1.29 -0.63 119.26 121.05 1rg6 h ALA 46 Ca -0.00 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1rg6 h ALA 46 Cb 0.37 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1rg6 h ALA 46 CO 0.00 -0.19 0.43 0.66 0.00 0.00 0.00 179.25 180.16 1rg6 h SER 47 N 0.39 0.00 0.00 0.00 4.64 -1.73 -0.29 113.55 116.56 1rg6 h SER 47 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1rg6 h SER 47 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1rg6 h SER 47 CO -0.23 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.62 1rg6 n LEU 48 N -3.07 0.04 0.00 5.97 7.94 -0.24 -4.83 117.00 122.81 1rg6 n LEU 48 Ca 0.01 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1rg6 n LEU 48 Cb 0.51 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.44 1rg6 n LEU 48 CO 0.16 0.01 0.00 0.29 -1.11 0.00 0.00 177.39 176.74 1rg6 n LYS 49 N -0.47 -0.05 -2.64 1.96 4.76 -0.12 -4.88 118.16 116.73 1rg6 n LYS 49 Ca 0.00 0.01 -0.40 0.00 -2.87 0.00 0.00 58.31 55.05 1rg6 n LYS 49 Cb 0.01 -2.88 -0.05 0.00 -1.84 0.00 0.00 35.03 30.27 1rg6 n LYS 49 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1rg6 s ILE 50 N -3.25 3.86 0.90 -0.18 1.01 -1.24 -5.04 121.20 117.25 1rg6 s ILE 50 Ca 0.00 1.85 -0.13 0.00 0.00 0.00 0.00 60.65 62.37 1rg6 s ILE 50 Cb 0.00 -4.18 0.13 0.00 0.01 0.00 0.00 42.46 38.43 1rg6 s ILE 50 CO 0.00 0.43 1.18 -2.16 0.00 0.00 0.00 174.94 174.39 1rg6 s PRO 51 N -1.18 1.25 0.55 2.79 0.04 -1.26 -4.69 135.00 132.49 1rg6 s PRO 51 Ca 0.43 0.08 0.31 0.00 0.04 0.00 0.00 61.00 61.86 1rg6 s PRO 51 Cb -0.28 -1.87 1.55 0.00 0.04 0.00 0.00 34.50 33.94 1rg6 s PRO 51 CO 0.35 -2.08 2.09 1.49 0.04 0.00 0.00 177.00 178.89 1rg6 h GLU 52 N -1.41 0.00 -0.61 4.56 4.81 -1.99 -2.70 114.58 117.24 1rg6 h GLU 52 Ca -0.47 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1rg6 h GLU 52 Cb 1.31 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 1rg6 h GLU 52 CO 0.58 0.09 0.41 0.37 -0.73 0.00 0.00 179.01 179.72 1rg6 h GLN 53 N 0.00 0.80 -0.01 1.92 4.15 -2.03 -2.45 115.11 117.50 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 0.35 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1rg6 h GLN 53 CO 0.01 0.53 -0.57 1.19 -1.93 0.00 0.00 178.83 178.06 1rg6 n PHE 54 N -4.44 0.00 0.04 3.99 3.72 -1.06 -4.01 117.46 115.69 1rg6 n PHE 54 Ca 0.06 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.34 1rg6 n PHE 54 Cb 0.04 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.49 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 1.80 -0.15 -0.00 -1.08 3.08 -1.13 -2.45 114.38 114.46 1rg6 h ARG 55 Ca 0.00 0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.87 1rg6 h ARG 55 Cb 0.67 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1rg6 h ARG 55 CO 0.00 0.31 -0.85 1.25 -1.07 0.00 0.00 179.97 179.61 1rg6 h HIS 56 N -0.69 0.28 -0.35 3.04 2.76 -1.78 -2.43 115.15 115.97 1rg6 h HIS 56 Ca -0.02 -0.15 -0.04 0.00 -2.20 0.00 0.00 60.37 57.97 1rg6 h HIS 56 Cb 0.53 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1rg6 h HIS 56 CO 0.09 0.95 0.07 0.00 -1.30 0.00 0.00 177.93 177.74 1rg6 h ALA 57 N 1.00 0.47 -0.26 5.26 0.00 -1.70 -2.20 119.26 121.84 1rg6 h ALA 57 Ca -0.04 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 1rg6 h ALA 57 Cb 1.47 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1rg6 h ALA 57 CO 0.13 0.16 -0.59 0.82 0.00 0.00 0.00 179.25 179.76 1rg6 h ILE 58 N 0.42 1.27 -0.69 0.00 2.04 -1.49 -3.18 117.51 115.88 1rg6 h ILE 58 Ca 0.11 -1.78 0.01 0.00 1.00 0.00 0.00 64.86 64.20 1rg6 h ILE 58 Cb 0.33 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1rg6 h ILE 58 CO 0.00 0.58 0.46 -0.25 0.00 0.00 0.00 178.15 178.94 1rg6 h TRP 59 N 0.64 0.87 -1.01 1.37 7.01 -1.37 -2.51 115.95 120.96 1rg6 h TRP 59 Ca -0.00 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.03 1rg6 h TRP 59 Cb 1.21 -0.29 -0.05 0.00 -2.10 0.00 0.00 29.16 27.92 1rg6 h TRP 59 CO 0.08 0.55 0.66 -0.22 -2.79 0.00 0.00 178.44 176.72 1rg6 h LYS 60 N 0.94 1.33 -0.01 2.65 3.64 -1.37 -2.00 116.57 121.74 1rg6 h LYS 60 Ca 0.25 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1rg6 h LYS 60 Cb -0.11 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 31.40 1rg6 h LYS 60 CO -0.05 0.88 -0.38 0.78 -2.27 0.00 0.00 179.45 178.40 1rg6 h GLY 61 N 1.36 0.01 1.09 5.01 0.00 -1.52 -3.03 103.07 105.99 1rg6 h GLY 61 Ca 0.37 -0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.58 1rg6 h GLY 61 CO -0.08 0.01 -0.06 -2.22 0.00 0.00 0.00 176.54 174.19 1rg6 h ILE 62 N 0.01 1.27 0.02 2.60 2.04 -1.26 -2.66 117.51 119.53 1rg6 h ILE 62 Ca -0.00 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 1rg6 h ILE 62 Cb 0.68 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1rg6 h ILE 62 CO 0.05 0.44 -0.01 -0.07 0.00 0.00 0.00 178.15 178.56 1rg6 h LEU 63 N 0.96 -0.03 -1.54 1.44 3.38 -1.40 -2.34 115.31 115.79 1rg6 h LEU 63 Ca 0.16 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1rg6 h LEU 63 Cb 0.63 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1rg6 h LEU 63 CO 0.04 -0.02 0.38 -0.78 0.09 0.00 0.00 178.44 178.15 1rg6 h ASP 64 N -0.03 0.51 -1.00 -0.43 1.82 -1.58 -1.61 116.42 114.10 1rg6 h ASP 64 Ca -0.00 -0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.64 1rg6 h ASP 64 Cb 0.03 -0.11 -0.05 0.00 0.68 0.00 0.00 39.33 39.87 1rg6 h ASP 64 CO 0.01 0.34 0.66 -0.74 -1.61 0.00 0.00 179.24 177.90 1rg6 h HIS 65 N 0.59 1.26 -0.78 0.28 2.76 -1.06 -2.43 115.15 115.77 1rg6 h HIS 65 Ca 0.24 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.38 1rg6 h HIS 65 Cb 0.20 -0.43 -0.03 0.00 1.55 0.00 0.00 27.41 28.70 1rg6 h HIS 65 CO -0.00 0.80 0.28 0.00 -1.30 0.00 0.00 177.93 177.71 1rg6 h ARG 66 N 1.36 1.18 -0.98 5.26 3.08 -1.06 -3.07 114.38 120.15 1rg6 h ARG 66 Ca 0.37 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1rg6 h ARG 66 Cb -0.15 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 29.67 1rg6 h ARG 66 CO -0.08 0.97 0.62 1.96 -1.07 0.00 0.00 179.97 182.38 1rg6 h GLN 67 N 1.14 1.31 0.00 0.04 1.08 -1.33 -2.13 115.11 115.21 1rg6 h GLN 67 Ca 0.26 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1rg6 h GLN 67 Cb 0.26 -0.29 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1rg6 h GLN 67 CO -0.02 0.89 0.00 1.37 -0.95 0.00 0.00 178.83 180.12 1rg6 h LEU 68 N 1.34 0.00 -9.33 1.46 8.10 -1.46 -3.42 115.31 112.00 1rg6 h LEU 68 Ca 0.36 0.00 -0.58 0.00 0.11 0.00 0.00 57.88 57.77 1rg6 h LEU 68 Cb -0.11 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.03 1rg6 h LEU 68 CO -0.07 0.00 -0.13 -2.28 -4.11 0.00 0.00 178.44 171.85 1rg6 s HIS 69 N -3.44 3.51 0.15 0.17 2.46 -0.80 -5.06 115.29 112.28 1rg6 s HIS 69 Ca 0.04 0.90 -0.08 0.00 0.47 0.00 0.00 55.06 56.39 1rg6 s HIS 69 Cb 0.09 -2.56 -0.01 0.00 -0.13 0.00 0.00 32.58 29.97 1rg6 s HIS 69 CO 0.51 0.16 0.25 -1.83 -2.47 0.00 0.00 174.74 171.37 1rg6 s GLU 70 N 0.65 1.11 0.00 2.88 -1.05 -1.26 -4.96 118.70 116.06 1rg6 s GLU 70 Ca 0.26 -1.18 0.28 0.00 -0.15 0.00 0.00 54.97 54.18 1rg6 s GLU 70 Cb -0.15 0.36 1.05 0.00 -0.44 0.00 0.00 34.13 34.95 1rg6 s GLU 70 CO 0.11 -0.39 1.74 1.19 0.95 0.00 0.00 175.26 178.85