#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1h h LEU 5 N 0.00 0.77 -0.45 0.00 3.38 -2.03 0.09 115.31 117.07 3h1h h LEU 5 Ca 0.00 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.72 3h1h h LEU 5 Cb 0.00 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3h1h h LEU 5 CO 0.00 0.87 0.20 -0.07 0.09 0.00 0.00 178.44 179.53 3h1h h LEU 6 N 0.64 0.26 0.20 1.67 3.38 -2.04 2.77 115.31 122.19 3h1h h LEU 6 Ca 0.13 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3h1h h LEU 6 Cb 0.46 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3h1h h LEU 6 CO 0.02 0.19 -0.09 -0.09 0.09 0.00 0.00 178.44 178.55 3h1h h ARG 7 N 0.40 -0.25 0.07 1.13 2.43 -1.97 -0.37 114.38 115.81 3h1h h ARG 7 Ca 0.20 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3h1h h ARG 7 Cb 0.15 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3h1h h ARG 7 CO -0.17 -0.06 -0.04 1.96 -1.51 0.00 0.00 179.97 180.15 3h1h h GLN 8 N -0.41 -0.10 -0.37 0.20 4.20 0.24 -1.38 115.11 117.49 3h1h h GLN 8 Ca -0.03 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.77 3h1h h GLN 8 Cb 0.31 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.03 3h1h h GLN 8 CO 0.04 -0.07 -0.28 0.00 -0.67 0.00 0.00 178.83 177.85 3h1h h ALA 9 N 0.83 -0.11 -0.19 3.87 0.00 0.49 0.12 119.26 124.26 3h1h h ALA 9 Ca -0.01 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3h1h h ALA 9 Cb 0.09 0.62 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 3h1h h ALA 9 CO 0.01 -0.68 -0.28 -0.92 0.00 0.00 0.00 179.25 177.38 3h1h h TYR 10 N -0.23 -0.76 0.54 0.00 3.20 -0.72 0.51 116.97 119.51 3h1h h TYR 10 Ca 0.17 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 3h1h h TYR 10 Cb 0.51 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 3h1h h TYR 10 CO -0.49 -0.36 -0.39 0.77 -1.64 0.00 0.00 178.16 176.05 3h1h h SER 11 N -0.32 -1.01 1.15 -2.11 0.02 -0.07 0.17 113.55 111.38 3h1h h SER 11 Ca 0.12 0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 60.96 3h1h h SER 11 Cb 0.50 0.31 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 3h1h h SER 11 CO -0.37 -0.58 -0.85 0.00 -1.14 0.00 0.00 176.83 173.88 3h1h h ALA 12 N -0.58 0.45 0.00 3.77 0.00 -0.77 -3.38 119.26 118.74 3h1h h ALA 12 Ca -0.06 -0.78 -0.24 0.00 0.00 0.00 0.00 54.91 53.84 3h1h h ALA 12 Cb 0.75 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3h1h h ALA 12 CO 0.03 1.07 -1.80 1.28 0.00 0.00 0.00 179.25 179.83 3h1h n LEU 13 N -3.31 1.28 0.08 0.00 4.77 0.17 -4.83 117.00 115.15 3h1h n LEU 13 Ca 0.01 0.14 0.12 0.00 -0.03 0.00 0.00 56.01 56.24 3h1h n LEU 13 Cb 0.88 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 41.60 3h1h n LEU 13 CO 0.45 0.36 0.12 0.49 -1.33 0.00 0.00 177.39 177.48 3h1h n PHE 14 N -3.54 0.70 0.25 -1.77 0.99 -0.87 -1.87 117.46 111.35 3h1h n PHE 14 Ca -0.28 0.20 -0.13 0.00 -0.00 0.00 0.00 57.45 57.25 3h1h n PHE 14 Cb 0.71 -0.77 -0.07 0.00 -1.00 0.00 0.00 39.48 38.36 3h1h n PHE 14 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 3h1h h ARG 15 N 0.00 -0.66 -6.28 -1.08 2.43 -0.87 -3.42 114.38 104.50 3h1h h ARG 15 Ca 0.00 0.04 -0.58 0.00 -0.81 0.00 0.00 59.98 58.64 3h1h h ARG 15 Cb 0.87 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.50 3h1h h ARG 15 CO 0.00 -0.37 0.80 1.03 -1.51 0.00 0.00 179.97 179.91 3h1h s ARG 16 N -4.27 4.01 0.36 0.20 0.52 -1.26 -4.92 118.95 113.58 3h1h s ARG 16 Ca -0.13 0.95 0.15 0.00 -0.52 0.00 0.00 55.73 56.19 3h1h s ARG 16 Cb 0.01 -3.76 1.07 0.00 0.52 0.00 0.00 34.95 32.80 3h1h s ARG 16 CO 0.41 -0.93 1.70 1.15 0.02 0.00 0.00 175.30 177.65 3h1h h THR 17 N 5.77 0.39 -0.80 0.02 2.02 -1.90 0.60 112.91 119.02 3h1h h THR 17 Ca -0.21 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 3h1h h THR 17 Cb 1.06 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 3h1h h THR 17 CO 1.02 0.07 0.34 0.77 0.37 0.00 0.00 175.52 178.09 3h1h h SER 18 N 0.39 1.09 1.16 4.18 4.64 -1.94 -1.94 113.55 121.13 3h1h h SER 18 Ca 0.69 -0.16 -0.15 0.00 -0.47 0.00 0.00 61.79 61.71 3h1h h SER 18 Cb 1.61 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 3h1h h SER 18 CO -0.49 0.95 -0.70 0.71 -0.87 0.00 0.00 176.83 176.43 3h1h h THR 19 N 1.16 1.25 -0.18 2.95 1.35 -0.19 -2.52 112.91 116.73 3h1h h THR 19 Ca 0.27 -2.63 -0.00 0.00 -0.55 0.00 0.00 66.41 63.50 3h1h h THR 19 Cb 0.19 2.52 -0.01 0.00 -1.73 0.00 0.00 68.15 69.12 3h1h h THR 19 CO -0.03 0.68 0.11 0.15 -0.25 0.00 0.00 175.52 176.19 3h1h h PHE 20 N 0.00 0.23 -0.47 4.73 3.04 -0.01 -0.44 116.94 124.02 3h1h h PHE 20 Ca -0.01 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.97 3h1h h PHE 20 Cb 1.47 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 39.87 3h1h h PHE 20 CO 0.00 0.19 0.26 0.00 -2.02 0.00 0.00 178.31 176.74 3h1h h ALA 21 N 1.02 0.60 -0.75 2.41 0.00 -1.31 -0.76 119.26 120.47 3h1h h ALA 21 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3h1h h ALA 21 Cb 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3h1h h ALA 21 CO -0.01 -0.07 0.50 1.25 0.00 0.00 0.00 179.25 180.92 3h1h h LEU 22 N 0.52 0.83 -0.30 0.00 5.85 -1.11 -1.61 115.31 119.49 3h1h h LEU 22 Ca 0.20 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 3h1h h LEU 22 Cb 0.06 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3h1h h LEU 22 CO -0.11 0.59 -0.02 0.74 -0.34 0.00 0.00 178.44 179.30 3h1h h THR 23 N 0.98 1.26 -0.98 1.05 2.02 -0.17 -1.85 112.91 115.23 3h1h h THR 23 Ca 0.28 -0.99 0.06 0.00 0.77 0.00 0.00 66.41 66.54 3h1h h THR 23 Cb -0.05 1.31 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 3h1h h THR 23 CO -0.07 0.32 0.64 0.58 0.37 0.00 0.00 175.52 177.35 3h1h h VAL 24 N 0.33 1.09 0.18 3.16 2.07 -0.43 0.74 116.25 123.39 3h1h h VAL 24 Ca 0.08 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3h1h h VAL 24 Cb 0.47 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3h1h h VAL 24 CO 0.02 0.21 -0.09 0.58 0.02 0.00 0.00 177.57 178.31 3h1h h VAL 25 N 1.15 0.00 -0.83 2.57 2.07 -1.18 -0.50 116.25 119.53 3h1h h VAL 25 Ca 0.42 -0.20 0.16 0.00 0.82 0.00 0.00 66.70 67.90 3h1h h VAL 25 Cb 0.16 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.87 3h1h h VAL 25 CO -0.16 0.00 0.55 0.25 0.02 0.00 0.00 177.57 178.23 3h1h h LEU 26 N -0.44 0.46 -0.57 2.57 5.85 -1.34 0.34 115.31 122.18 3h1h h LEU 26 Ca -0.02 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3h1h h LEU 26 Cb 0.18 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3h1h h LEU 26 CO 0.04 0.22 0.30 1.23 -0.34 0.00 0.00 178.44 179.90 3h1h h GLY 27 N 0.49 0.86 0.87 3.75 0.00 0.50 -1.71 103.07 107.82 3h1h h GLY 27 Ca 0.42 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3h1h h GLY 27 CO -0.16 0.38 -0.17 0.00 0.00 0.00 0.00 176.54 176.60 3h1h h ALA 28 N 1.13 -0.47 -0.81 3.60 0.00 0.13 0.26 119.26 123.10 3h1h h ALA 28 Ca 0.20 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 55.16 3h1h h ALA 28 Cb 0.07 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 17.91 3h1h h ALA 28 CO -0.03 -0.69 0.22 0.28 0.00 0.00 0.00 179.25 179.03 3h1h h VAL 29 N -0.61 0.43 -0.10 0.00 2.07 -0.69 0.44 116.25 117.80 3h1h h VAL 29 Ca -0.05 -0.09 -0.23 0.00 0.82 0.00 0.00 66.70 67.15 3h1h h VAL 29 Cb 0.44 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3h1h h VAL 29 CO 0.08 0.05 -0.85 -0.07 0.02 0.00 0.00 177.57 176.80 3h1h h LEU 30 N 0.26 0.86 -0.92 2.57 3.38 -1.21 -3.04 115.31 117.21 3h1h h LEU 30 Ca 0.49 -0.60 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3h1h h LEU 30 Cb 0.90 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3h1h h LEU 30 CO -0.57 1.39 0.42 0.15 0.09 0.00 0.00 178.44 179.92 3h1h h PHE 31 N 0.46 1.19 0.46 1.13 3.57 0.13 -2.04 116.94 121.83 3h1h h PHE 31 Ca -0.07 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 3h1h h PHE 31 Cb 1.48 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.85 3h1h h PHE 31 CO 0.08 0.85 -0.22 1.49 -2.23 0.00 0.00 178.31 178.28 3h1h h GLU 32 N 1.19 -0.60 -0.98 1.11 4.81 -0.27 0.17 114.58 120.01 3h1h h GLU 32 Ca 0.29 0.04 0.37 0.00 -0.13 0.00 0.00 59.36 59.93 3h1h h GLU 32 Cb 0.09 0.14 -0.18 0.00 0.63 0.00 0.00 28.75 29.43 3h1h h GLU 32 CO -0.04 -0.40 0.39 -2.13 -0.73 0.00 0.00 179.01 176.10 3h1h n ARG 33 N -3.70 -0.06 0.03 1.92 0.63 -1.15 -0.96 116.66 113.37 3h1h n ARG 33 Ca -0.08 1.38 -0.16 0.00 -0.92 0.00 0.00 57.85 58.07 3h1h n ARG 33 Cb 0.25 -2.39 -0.14 0.00 0.45 0.00 0.00 32.46 30.62 3h1h n ARG 33 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3h1h h ALA 34 N 1.95 0.40 -0.36 5.13 0.00 -1.26 -3.19 119.26 121.95 3h1h h ALA 34 Ca 0.77 -1.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 3h1h h ALA 34 Cb 1.94 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 20.12 3h1h h ALA 34 CO -0.79 1.26 -0.13 0.35 0.00 0.00 0.00 179.25 179.94 3h1h h PHE 35 N 0.05 0.82 0.56 0.00 3.57 0.92 -1.80 116.94 121.06 3h1h h PHE 35 Ca -0.29 -0.19 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 3h1h h PHE 35 Cb 2.02 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 40.57 3h1h h PHE 35 CO 0.05 0.89 -0.27 -0.44 -2.23 0.00 0.00 178.31 176.32 3h1h h ASP 36 N 0.50 -0.64 -0.88 0.41 3.32 -1.21 -1.05 116.42 116.87 3h1h h ASP 36 Ca 0.08 0.02 0.23 0.00 0.02 0.00 0.00 57.03 57.39 3h1h h ASP 36 Cb 0.66 0.17 -0.15 0.00 0.22 0.00 0.00 39.33 40.22 3h1h h ASP 36 CO 0.04 -0.44 0.10 1.56 -1.72 0.00 0.00 179.24 178.78 3h1h h GLN 37 N -0.79 0.10 0.26 3.56 4.20 -1.61 0.15 115.11 120.98 3h1h h GLN 37 Ca -0.08 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3h1h h GLN 37 Cb 0.58 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.34 3h1h h GLN 37 CO 0.13 0.07 -0.12 0.78 -0.67 0.00 0.00 178.83 179.01 3h1h h GLY 38 N 0.11 -0.36 0.96 3.46 0.00 -1.23 -0.87 103.07 105.13 3h1h h GLY 38 Ca 0.53 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.99 3h1h h GLY 38 CO -0.75 -0.13 0.19 0.00 0.00 0.00 0.00 176.54 175.84 3h1h h ALA 39 N 0.26 0.46 -0.69 3.60 0.00 0.18 0.51 119.26 123.58 3h1h h ALA 39 Ca -0.04 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3h1h h ALA 39 Cb 0.34 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3h1h h ALA 39 CO 0.06 -0.01 0.36 -0.44 0.00 0.00 0.00 179.25 179.22 3h1h h ASP 40 N 0.44 0.50 -0.02 0.00 3.32 -0.76 0.21 116.42 120.12 3h1h h ASP 40 Ca 0.12 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.25 3h1h h ASP 40 Cb 0.08 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3h1h h ASP 40 CO -0.02 0.30 -0.13 0.00 -1.72 0.00 0.00 179.24 177.67 3h1h h ALA 41 N 1.39 -0.14 -0.39 3.45 0.00 -0.26 -0.96 119.26 122.36 3h1h h ALA 41 Ca 0.33 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.26 3h1h h ALA 41 Cb 0.29 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3h1h h ALA 41 CO -0.23 -0.62 0.25 0.82 0.00 0.00 0.00 179.25 179.47 3h1h h ILE 42 N -0.21 1.07 -0.56 0.00 2.04 0.06 -1.75 117.51 118.16 3h1h h ILE 42 Ca 0.05 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.77 3h1h h ILE 42 Cb 0.28 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3h1h h ILE 42 CO -0.15 0.09 0.34 0.15 0.00 0.00 0.00 178.15 178.58 3h1h h PHE 43 N 0.50 0.63 -0.25 1.37 3.57 -0.25 -1.81 116.94 120.71 3h1h h PHE 43 Ca 0.15 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3h1h h PHE 43 Cb -0.03 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 3h1h h PHE 43 CO -0.06 0.36 0.01 0.93 -2.23 0.00 0.00 178.31 177.32 3h1h h GLU 44 N 0.67 0.43 -0.69 1.11 5.08 -0.87 -2.71 114.58 117.59 3h1h h GLU 44 Ca 0.23 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3h1h h GLU 44 Cb 0.03 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 3h1h h GLU 44 CO -0.10 0.59 0.40 1.25 -1.00 0.00 0.00 179.01 180.14 3h1h h HIS 45 N 0.21 0.74 0.00 4.33 2.76 -1.13 0.24 115.15 122.30 3h1h h HIS 45 Ca 0.07 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3h1h h HIS 45 Cb 0.39 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.12 3h1h h HIS 45 CO 0.03 0.37 0.03 -0.07 -1.30 0.00 0.00 177.93 176.99 3h1h h LEU 46 N 0.75 0.00 -3.99 0.26 3.38 -1.09 -2.58 115.31 112.03 3h1h h LEU 46 Ca 0.30 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.93 3h1h h LEU 46 Cb 0.15 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.56 3h1h h LEU 46 CO -0.17 0.00 -0.87 0.59 0.09 0.00 0.00 178.44 178.09 3h1h n ASN 47 N -2.49 3.12 -4.54 -0.43 3.02 0.80 -5.10 115.26 109.65 3h1h n ASN 47 Ca -0.02 -3.16 -0.46 0.00 -0.03 0.00 0.00 54.58 50.91 3h1h n ASN 47 Cb 0.07 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.81 3h1h n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h1h n GLU 48 N -0.64 0.97 -0.86 3.52 -0.58 -0.90 -2.11 120.64 120.05 3h1h n GLU 48 Ca 0.26 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 3h1h n GLU 48 Cb 0.89 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 30.12 3h1h n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h1h n GLY 49 N 1.55 0.12 0.08 0.62 0.00 -1.26 -4.80 105.19 101.50 3h1h n GLY 49 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 3h1h n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h1h n LYS 50 N -0.50 1.12 -2.73 1.61 5.02 -0.90 -4.77 118.16 117.01 3h1h n LYS 50 Ca 0.00 -0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.93 3h1h n LYS 50 Cb 0.27 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 3h1h n LYS 50 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1h s LEU 51 N -5.19 4.00 0.23 -0.35 1.43 -1.26 -4.94 118.68 112.60 3h1h s LEU 51 Ca -0.08 1.79 -0.06 0.00 -1.03 0.00 0.00 54.13 54.74 3h1h s LEU 51 Cb 0.06 -4.43 0.34 0.00 0.03 0.00 0.00 46.19 42.19 3h1h s LEU 51 CO 0.72 -0.41 1.79 -0.25 0.23 0.00 0.00 176.35 178.42 3h1h h TRP 52 N 2.09 0.69 -1.23 0.29 2.91 -1.98 0.31 115.95 119.03 3h1h h TRP 52 Ca -0.49 0.03 0.40 0.00 1.13 0.00 0.00 58.89 59.96 3h1h h TRP 52 Cb 1.19 -0.20 -0.13 0.00 -0.51 0.00 0.00 29.16 29.52 3h1h h TRP 52 CO 0.60 0.26 0.78 -0.22 -1.03 0.00 0.00 178.44 178.84 3h1h h LYS 53 N 0.65 0.15 0.14 2.65 3.64 -2.00 0.16 116.57 121.96 3h1h h LYS 53 Ca 0.36 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.54 3h1h h LYS 53 Cb 0.35 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3h1h h LYS 53 CO -0.26 0.10 -0.81 0.45 -2.27 0.00 0.00 179.45 176.66 3h1h h HIS 54 N 0.15 0.55 -0.00 1.91 3.86 -0.77 -3.37 115.15 117.47 3h1h h HIS 54 Ca 0.78 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 3h1h h HIS 54 Cb 2.31 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.76 3h1h h HIS 54 CO -0.01 1.31 -0.49 0.44 0.86 0.00 0.00 177.93 180.05 3h1h n ILE 55 N -4.12 0.00 -0.30 2.45 -5.35 -0.72 -4.49 119.36 106.83 3h1h n ILE 55 Ca -0.14 -0.08 0.12 0.00 -0.27 0.00 0.00 62.75 62.38 3h1h n ILE 55 Cb 0.82 0.55 0.27 0.00 -1.74 0.00 0.00 39.64 39.54 3h1h n ILE 55 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3h1h h LYS 56 N 0.75 0.13 -1.00 6.28 3.64 -0.89 -2.19 116.57 123.29 3h1h h LYS 56 Ca 0.00 -0.01 0.25 0.00 -1.27 0.00 0.00 60.65 59.62 3h1h h LYS 56 Cb 0.54 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.25 3h1h h LYS 56 CO 0.00 0.08 0.66 1.12 -2.27 0.00 0.00 179.45 179.04 3h1h h HIS 57 N 0.13 0.53 -0.29 1.91 2.07 -1.85 -1.50 115.15 116.16 3h1h h HIS 57 Ca 0.54 0.02 0.08 0.00 -2.85 0.00 0.00 60.37 58.16 3h1h h HIS 57 Cb 1.08 -0.16 -0.01 0.00 2.57 0.00 0.00 27.41 30.90 3h1h h HIS 57 CO -0.35 0.08 0.21 0.87 -3.07 0.00 0.00 177.93 175.67 3h1h h LYS 58 N 0.35 0.02 -0.00 5.12 1.57 -1.74 -2.71 116.57 119.17 3h1h h LYS 58 Ca 0.54 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 3h1h h LYS 58 Cb 1.46 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.77 3h1h h LYS 58 CO -0.22 0.01 -0.01 0.66 -0.57 0.00 0.00 179.45 179.33 3h1h n TYR 59 N -4.46 0.00 -2.61 -1.35 4.02 -0.70 -4.42 117.16 107.64 3h1h n TYR 59 Ca 0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.50 3h1h n TYR 59 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 3h1h n TYR 59 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3h1h n GLU 60 N -0.10 3.58 -1.74 -0.72 4.07 -0.65 -4.25 120.64 120.83 3h1h n GLU 60 Ca 0.01 -3.72 0.00 0.00 -0.06 0.00 0.00 57.16 53.38 3h1h n GLU 60 Cb 0.04 -2.93 0.00 0.00 -0.06 0.00 0.00 31.44 28.48 3h1h n GLU 60 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3h1h n ALA 61 N 4.30 0.00 -2.20 4.31 0.00 -1.26 -4.87 120.51 120.79 3h1h n ALA 61 Ca 0.38 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.83 3h1h n ALA 61 Cb 0.38 -0.39 0.01 0.00 0.00 0.00 0.00 19.45 19.45 3h1h n ALA 61 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3h1h n SER 62 N 1.41 0.40 -3.74 0.00 7.64 -1.26 -5.10 113.62 112.96 3h1h n SER 62 Ca 0.00 -1.99 -0.14 0.00 1.01 0.00 0.00 58.87 57.75 3h1h n SER 62 Cb 0.39 -0.23 -0.09 0.00 -1.01 0.00 0.00 64.21 63.27 3h1h n SER 62 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3h1h s GLU 63 N 0.00 0.64 0.00 1.43 2.12 -1.26 -4.85 118.70 116.78 3h1h s GLU 63 Ca 0.14 -0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.46 3h1h s GLU 63 Cb 0.16 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.84 3h1h s GLU 63 CO -0.07 -0.16 0.00 -1.91 -0.54 0.00 0.00 175.26 172.58