#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1j h LEU 5 N 0.00 0.77 -0.69 0.00 3.38 -2.03 0.55 115.31 117.30 3h1j h LEU 5 Ca 0.00 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.85 3h1j h LEU 5 Cb 0.00 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3h1j h LEU 5 CO 0.00 0.70 0.44 -0.07 0.09 0.00 0.00 178.44 179.60 3h1j h LEU 6 N 0.79 0.73 0.03 1.67 3.38 -2.03 2.04 115.31 121.92 3h1j h LEU 6 Ca 0.20 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3h1j h LEU 6 Cb 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3h1j h LEU 6 CO -0.02 0.51 -0.02 0.03 0.09 0.00 0.00 178.44 179.04 3h1j h ARG 7 N 0.87 -0.04 -0.26 1.13 3.08 -1.84 -0.02 114.38 117.30 3h1j h ARG 7 Ca 0.27 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.34 3h1j h ARG 7 Cb -0.02 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3h1j h ARG 7 CO -0.09 0.41 0.12 1.96 -1.07 0.00 0.00 179.97 181.30 3h1j h GLN 8 N -0.51 0.24 0.20 0.04 4.20 0.64 0.69 115.11 120.61 3h1j h GLN 8 Ca -0.00 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.70 3h1j h GLN 8 Cb 0.48 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3h1j h GLN 8 CO 0.01 0.16 -0.22 0.00 -0.67 0.00 0.00 178.83 178.11 3h1j h ALA 9 N 1.14 -0.44 0.38 3.87 0.00 0.32 0.37 119.26 124.91 3h1j h ALA 9 Ca 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3h1j h ALA 9 Cb 0.05 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3h1j h ALA 9 CO -0.09 -0.78 -0.31 -0.92 0.00 0.00 0.00 179.25 177.16 3h1j h TYR 10 N -0.46 -0.85 -1.06 0.00 3.20 -0.68 0.75 116.97 117.87 3h1j h TYR 10 Ca 0.00 0.00 0.29 0.00 3.14 0.00 0.00 58.73 62.17 3h1j h TYR 10 Cb 0.44 0.32 -0.12 0.00 1.54 0.00 0.00 36.73 38.91 3h1j h TYR 10 CO -0.17 -0.43 0.66 1.03 -1.64 0.00 0.00 178.16 177.61 3h1j h SER 11 N -0.67 0.49 0.00 -2.11 0.87 0.52 -1.52 113.55 111.12 3h1j h SER 11 Ca -0.05 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3h1j h SER 11 Cb 0.56 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3h1j h SER 11 CO 0.00 0.01 -1.53 0.00 -0.53 0.00 0.00 176.83 174.79 3h1j n ALA 12 N -2.40 2.96 0.02 6.23 0.00 0.13 -4.70 120.51 122.74 3h1j n ALA 12 Ca 0.29 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3h1j n ALA 12 Cb 0.94 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.82 3h1j n ALA 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h1j n LEU 13 N -1.92 0.33 0.18 0.00 4.77 0.26 -4.87 117.00 115.75 3h1j n LEU 13 Ca -0.02 0.06 0.06 0.00 -0.03 0.00 0.00 56.01 56.08 3h1j n LEU 13 Cb 0.39 -0.09 0.21 0.00 -2.33 0.00 0.00 43.42 41.60 3h1j n LEU 13 CO 0.34 -0.28 0.64 -0.26 -1.33 0.00 0.00 177.39 176.50 3h1j h PHE 14 N 0.00 0.00 0.51 -1.77 0.05 -1.28 0.03 116.94 114.48 3h1j h PHE 14 Ca 0.00 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.77 3h1j h PHE 14 Cb 0.61 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.57 3h1j h PHE 14 CO 0.00 0.34 -0.24 -0.09 -0.18 0.00 0.00 178.31 178.13 3h1j h ARG 15 N 0.00 -0.66 -6.28 1.51 2.43 -1.54 -3.42 114.38 106.41 3h1j h ARG 15 Ca -0.00 0.04 -0.57 0.00 -0.81 0.00 0.00 59.98 58.64 3h1j h ARG 15 Cb 1.09 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.74 3h1j h ARG 15 CO 0.04 -0.44 0.95 1.03 -1.51 0.00 0.00 179.97 180.05 3h1j s ARG 16 N -3.90 4.01 0.53 0.20 0.52 -1.26 -4.89 118.95 114.17 3h1j s ARG 16 Ca -0.10 1.38 0.40 0.00 -0.52 0.00 0.00 55.73 56.89 3h1j s ARG 16 Cb 0.01 -3.85 1.58 0.00 0.52 0.00 0.00 34.95 33.22 3h1j s ARG 16 CO 0.30 -1.00 1.72 1.15 0.02 0.00 0.00 175.30 177.49 3h1j h THR 17 N 5.82 0.26 0.30 0.02 2.02 -1.87 -0.68 112.91 118.78 3h1j h THR 17 Ca -0.26 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3h1j h THR 17 Cb 1.10 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3h1j h THR 17 CO 1.01 0.00 -0.14 0.77 0.37 0.00 0.00 175.52 177.54 3h1j h SER 18 N 0.03 -0.34 -0.42 4.18 4.64 -1.90 -2.63 113.55 117.11 3h1j h SER 18 Ca 0.71 -0.11 0.12 0.00 -0.47 0.00 0.00 61.79 62.04 3h1j h SER 18 Cb 2.74 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 64.90 3h1j h SER 18 CO -0.05 0.14 0.31 0.71 -0.87 0.00 0.00 176.83 177.07 3h1j h THR 19 N -1.04 0.75 0.45 2.95 1.35 -1.47 -0.27 112.91 115.64 3h1j h THR 19 Ca -0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.80 3h1j h THR 19 Cb 0.43 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3h1j h THR 19 CO 0.07 0.00 -0.22 0.15 -0.25 0.00 0.00 175.52 175.27 3h1j h PHE 20 N 0.00 -0.56 -0.20 4.73 3.04 0.45 0.15 116.94 124.54 3h1j h PHE 20 Ca 0.20 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.19 3h1j h PHE 20 Cb 0.82 0.19 -0.06 0.00 2.56 0.00 0.00 35.95 39.46 3h1j h PHE 20 CO 0.00 -0.25 -0.17 0.00 -2.02 0.00 0.00 178.31 175.87 3h1j h ALA 21 N -0.43 -0.04 -1.00 2.41 0.00 -0.72 -0.56 119.26 118.92 3h1j h ALA 21 Ca -0.06 0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3h1j h ALA 21 Cb 0.57 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 3h1j h ALA 21 CO 0.10 -0.60 0.65 -0.07 0.00 0.00 0.00 179.25 179.33 3h1j h LEU 22 N -0.18 1.04 -1.20 0.00 3.38 -1.12 -0.46 115.31 116.76 3h1j h LEU 22 Ca 0.12 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3h1j h LEU 22 Cb 0.36 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3h1j h LEU 22 CO -0.31 0.67 0.35 0.74 0.09 0.00 0.00 178.44 179.98 3h1j h THR 23 N 1.18 1.20 -0.39 0.22 2.02 0.34 0.13 112.91 117.61 3h1j h THR 23 Ca 0.43 -0.51 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 3h1j h THR 23 Cb 0.15 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3h1j h THR 23 CO -0.16 0.22 -0.08 0.58 0.37 0.00 0.00 175.52 176.45 3h1j h VAL 24 N 0.92 1.27 0.60 3.16 2.07 0.35 0.38 116.25 125.01 3h1j h VAL 24 Ca 0.23 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 3h1j h VAL 24 Cb 0.03 1.22 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3h1j h VAL 24 CO -0.04 0.38 -0.29 0.58 0.02 0.00 0.00 177.57 178.23 3h1j h VAL 25 N 0.55 0.40 -0.48 2.57 2.07 -0.85 -0.54 116.25 119.97 3h1j h VAL 25 Ca 0.10 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.67 3h1j h VAL 25 Cb 0.59 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 3h1j h VAL 25 CO 0.03 0.00 0.12 0.25 0.02 0.00 0.00 177.57 178.00 3h1j h LEU 26 N -0.83 0.05 0.05 2.57 7.12 -0.96 -2.47 115.31 120.85 3h1j h LEU 26 Ca -0.08 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3h1j h LEU 26 Cb 0.63 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.84 3h1j h LEU 26 CO 0.14 0.06 -0.17 1.23 -0.13 0.00 0.00 178.44 179.57 3h1j h GLY 27 N 0.26 -1.18 -0.98 3.75 0.00 0.01 -2.04 103.07 102.90 3h1j h GLY 27 Ca 0.23 0.55 0.12 0.00 0.00 0.00 0.00 47.33 48.24 3h1j h GLY 27 CO -0.29 -0.40 -0.46 0.00 0.00 0.00 0.00 176.54 175.39 3h1j n ALA 28 N -2.59 -0.33 -0.26 3.60 0.00 -0.23 0.15 120.51 120.86 3h1j n ALA 28 Ca -0.03 0.91 -0.08 0.00 0.00 0.00 0.00 53.44 54.25 3h1j n ALA 28 Cb 0.13 -0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 3h1j n ALA 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3h1j h VAL 29 N 0.00 0.06 -0.35 0.00 2.07 -1.09 1.88 116.25 118.82 3h1j h VAL 29 Ca 0.26 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.68 3h1j h VAL 29 Cb 0.51 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3h1j h VAL 29 CO -0.95 0.00 -0.20 -0.07 0.02 0.00 0.00 177.57 176.37 3h1j h LEU 30 N -0.17 0.79 -0.35 2.57 3.38 -0.24 -2.96 115.31 118.32 3h1j h LEU 30 Ca 0.20 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.79 3h1j h LEU 30 Cb 0.55 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3h1j h LEU 30 CO -0.76 1.03 0.15 0.15 0.09 0.00 0.00 178.44 179.09 3h1j h PHE 31 N 0.54 0.26 0.00 1.13 3.57 0.13 -2.10 116.94 120.48 3h1j h PHE 31 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3h1j h PHE 31 Cb 0.75 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3h1j h PHE 31 CO 0.06 0.13 -0.07 1.49 -2.23 0.00 0.00 178.31 177.69 3h1j h GLU 32 N 0.31 -0.09 -0.83 1.11 4.81 0.30 0.51 114.58 120.69 3h1j h GLU 32 Ca 0.15 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.47 3h1j h GLU 32 Cb 0.10 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.40 3h1j h GLU 32 CO -0.14 -0.06 -0.54 0.00 -0.73 0.00 0.00 179.01 177.55 3h1j h ARG 33 N -0.09 -0.06 0.01 1.92 3.08 -1.47 0.33 114.38 118.11 3h1j h ARG 33 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3h1j h ARG 33 Cb 0.10 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 3h1j h ARG 33 CO -0.05 -0.04 -0.46 0.00 -1.07 0.00 0.00 179.97 178.36 3h1j h ALA 34 N 0.29 -0.77 0.56 0.04 0.00 -1.14 -0.81 119.26 117.43 3h1j h ALA 34 Ca 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3h1j h ALA 34 Cb 0.40 0.81 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3h1j h ALA 34 CO -0.81 -1.01 -0.51 0.35 0.00 0.00 0.00 179.25 177.26 3h1j h PHE 35 N -0.62 -1.41 -0.61 0.00 3.57 0.12 -1.78 116.94 116.21 3h1j h PHE 35 Ca 0.03 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.67 3h1j h PHE 35 Cb 0.69 0.54 -0.11 0.00 2.79 0.00 0.00 35.95 39.86 3h1j h PHE 35 CO -0.45 -0.69 -0.07 -0.44 -2.23 0.00 0.00 178.31 174.42 3h1j h ASP 36 N -1.06 -0.41 0.76 0.41 3.32 -0.25 0.17 116.42 119.36 3h1j h ASP 36 Ca -0.07 0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3h1j h ASP 36 Cb 0.90 0.32 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 3h1j h ASP 36 CO -0.04 -0.16 -0.45 1.56 -1.72 0.00 0.00 179.24 178.43 3h1j h GLN 37 N 0.06 -1.09 -1.01 3.56 4.20 -1.00 -1.90 115.11 117.93 3h1j h GLN 37 Ca 0.31 0.07 0.15 0.00 0.06 0.00 0.00 58.65 59.24 3h1j h GLN 37 Cb 0.49 0.25 -0.09 0.00 0.30 0.00 0.00 27.48 28.43 3h1j h GLN 37 CO -0.58 -0.73 0.62 0.78 -0.67 0.00 0.00 178.83 178.26 3h1j h GLY 38 N -1.13 1.71 0.95 3.46 0.00 -0.82 0.95 103.07 108.19 3h1j h GLY 38 Ca -0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 3h1j h GLY 38 CO 0.11 0.07 -0.32 0.00 0.00 0.00 0.00 176.54 176.40 3h1j h ALA 39 N 1.58 -0.86 -0.51 3.60 0.00 -0.54 0.86 119.26 123.39 3h1j h ALA 39 Ca 0.53 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.35 3h1j h ALA 39 Cb 0.65 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 3h1j h ALA 39 CO -0.31 -0.99 0.11 -0.44 0.00 0.00 0.00 179.25 177.62 3h1j h ASP 40 N -0.86 0.01 -0.19 0.00 3.32 -0.70 0.36 116.42 118.37 3h1j h ASP 40 Ca -0.08 0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.11 3h1j h ASP 40 Cb 0.67 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.27 3h1j h ASP 40 CO 0.11 0.03 -0.34 0.00 -1.72 0.00 0.00 179.24 177.32 3h1j h ALA 41 N 1.40 -0.38 -0.78 3.45 0.00 -0.36 0.12 119.26 122.70 3h1j h ALA 41 Ca 0.26 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.27 3h1j h ALA 41 Cb 0.35 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 3h1j h ALA 41 CO -0.33 -0.81 0.46 0.82 0.00 0.00 0.00 179.25 179.39 3h1j h ILE 42 N -0.39 1.00 0.66 0.00 2.04 0.27 -0.05 117.51 121.04 3h1j h ILE 42 Ca 0.11 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3h1j h ILE 42 Cb 0.56 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3h1j h ILE 42 CO -0.40 0.15 -0.32 0.15 0.00 0.00 0.00 178.15 177.73 3h1j h PHE 43 N 0.84 -0.83 -0.83 1.37 3.57 0.30 -1.89 116.94 119.47 3h1j h PHE 43 Ca 0.35 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.95 3h1j h PHE 43 Cb 0.20 0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.16 3h1j h PHE 43 CO -0.05 -0.48 0.54 0.93 -2.23 0.00 0.00 178.31 177.02 3h1j h GLU 44 N -1.03 0.65 -0.12 1.11 5.08 -0.67 -1.19 114.58 118.41 3h1j h GLU 44 Ca -0.09 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3h1j h GLU 44 Cb 0.72 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 3h1j h GLU 44 CO 0.15 0.43 0.01 1.25 -1.00 0.00 0.00 179.01 179.85 3h1j h HIS 45 N 0.67 0.23 0.00 4.33 2.76 -0.89 -2.26 115.15 120.00 3h1j h HIS 45 Ca 0.40 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 3h1j h HIS 45 Cb 0.62 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.52 3h1j h HIS 45 CO -0.00 0.43 0.00 1.28 -1.30 0.00 0.00 177.93 178.34 3h1j n LEU 46 N -4.80 0.24 -2.44 0.26 4.77 -0.54 -2.86 117.00 111.63 3h1j n LEU 46 Ca -0.06 0.59 -0.18 0.00 -0.03 0.00 0.00 56.01 56.34 3h1j n LEU 46 Cb 0.19 -0.59 0.02 0.00 -2.33 0.00 0.00 43.42 40.71 3h1j n LEU 46 CO 0.35 -0.56 0.09 0.59 -1.33 0.00 0.00 177.39 176.53 3h1j n ASN 47 N -1.80 3.57 -4.78 -1.43 3.02 -0.69 -5.10 115.26 108.06 3h1j n ASN 47 Ca 0.01 -3.22 -0.41 0.00 -0.03 0.00 0.00 54.58 50.93 3h1j n ASN 47 Cb 0.08 -0.44 -0.00 0.00 -0.61 0.00 0.00 39.78 38.81 3h1j n ASN 47 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3h1j s GLU 48 N -3.53 4.11 0.00 3.52 0.41 -1.07 -2.77 118.70 119.37 3h1j s GLU 48 Ca 0.41 2.57 0.00 0.00 -0.41 0.00 0.00 54.97 57.54 3h1j s GLU 48 Cb 0.40 -2.97 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 3h1j s GLU 48 CO -0.05 -0.53 0.00 0.41 -0.49 0.00 0.00 175.26 174.60 3h1j n GLY 49 N 0.49 0.29 0.02 -1.39 0.00 -1.26 -4.77 105.19 98.57 3h1j n GLY 49 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 3h1j n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h1j n LYS 50 N -1.98 0.66 -3.01 1.61 5.02 -1.12 -4.57 118.16 114.77 3h1j n LYS 50 Ca 0.00 -0.16 -0.32 0.00 -2.02 0.00 0.00 58.31 55.81 3h1j n LYS 50 Cb 0.00 -1.55 -0.05 0.00 -0.02 0.00 0.00 35.03 33.42 3h1j n LYS 50 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1j s LEU 51 N -4.65 3.97 0.58 -0.35 1.43 -1.25 -4.90 118.68 113.51 3h1j s LEU 51 Ca -0.08 1.26 0.39 0.00 -1.03 0.00 0.00 54.13 54.67 3h1j s LEU 51 Cb 0.13 -4.09 2.12 0.00 0.03 0.00 0.00 46.19 44.38 3h1j s LEU 51 CO 0.90 -0.29 2.20 -0.25 0.23 0.00 0.00 176.35 179.14 3h1j h TRP 52 N 1.88 0.00 -0.20 0.29 2.91 -1.98 0.39 115.95 119.25 3h1j h TRP 52 Ca -0.48 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.54 3h1j h TRP 52 Cb 1.18 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.82 3h1j h TRP 52 CO 0.61 0.00 0.10 -0.22 -1.03 0.00 0.00 178.44 177.90 3h1j h LYS 53 N 0.00 0.28 -0.12 2.65 3.64 -1.98 0.64 116.57 121.68 3h1j h LYS 53 Ca 0.00 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 3h1j h LYS 53 Cb 0.02 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3h1j h LYS 53 CO 0.00 0.29 -0.21 0.45 -2.27 0.00 0.00 179.45 177.71 3h1j h HIS 54 N 0.19 0.45 -0.19 1.91 3.86 -0.61 -3.32 115.15 117.44 3h1j h HIS 54 Ca 0.07 -0.16 -0.05 0.00 -1.16 0.00 0.00 60.37 59.07 3h1j h HIS 54 Cb 0.10 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 3h1j h HIS 54 CO -0.03 0.82 -0.09 0.82 0.86 0.00 0.00 177.93 180.31 3h1j h ILE 55 N -0.06 1.31 0.00 2.45 1.08 -1.26 -3.40 117.51 117.63 3h1j h ILE 55 Ca 0.01 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.33 3h1j h ILE 55 Cb 0.78 1.66 0.00 0.00 -3.07 0.00 0.00 36.82 36.20 3h1j h ILE 55 CO 0.05 0.35 0.00 1.17 -0.69 0.00 0.00 178.15 179.02 3h1j n LYS 56 N -4.58 0.00 -0.41 2.37 4.81 0.22 -1.44 118.16 119.13 3h1j n LYS 56 Ca -0.05 0.00 0.38 0.00 -0.87 0.00 0.00 58.31 57.77 3h1j n LYS 56 Cb 0.32 0.00 0.61 0.00 0.02 0.00 0.00 35.03 35.98 3h1j n LYS 56 CO 0.00 0.00 0.00 1.12 1.17 0.00 0.00 177.40 179.69 3h1j h HIS 57 N 0.00 0.00 0.00 5.64 2.07 -1.81 -1.61 115.15 119.43 3h1j h HIS 57 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3h1j h HIS 57 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 3h1j h HIS 57 CO 0.00 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 175.73 3h1j h LYS 58 N 0.00 0.00 0.00 5.12 1.57 -1.58 -3.31 116.57 118.37 3h1j h LYS 58 Ca 0.67 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.45 3h1j h LYS 58 Cb 3.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.52 3h1j h LYS 58 CO -0.01 0.00 -0.10 0.66 -0.57 0.00 0.00 179.45 179.43 3h1j n TYR 59 N -2.65 0.00 -2.64 -1.35 4.02 -0.65 -4.68 117.16 109.21 3h1j n TYR 59 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 3h1j n TYR 59 Cb 0.20 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.49 3h1j n TYR 59 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3h1j s GLU 60 N -0.35 3.28 -1.48 -0.72 2.56 -0.92 -3.80 118.70 117.27 3h1j s GLU 60 Ca 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 54.97 54.27 3h1j s GLU 60 Cb 0.00 -4.48 0.03 0.00 2.00 0.00 0.00 34.13 31.67 3h1j s GLU 60 CO 0.00 -2.07 0.59 0.00 -0.56 0.00 0.00 175.26 173.22 3h1j n ALA 61 N 8.77 -1.01 -0.05 6.30 0.00 -1.26 -4.79 120.51 128.47 3h1j n ALA 61 Ca 0.09 0.23 -0.03 0.00 0.00 0.00 0.00 53.44 53.74 3h1j n ALA 61 Cb 0.49 -3.64 -0.10 0.00 0.00 0.00 0.00 19.45 16.20 3h1j n ALA 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h1j n SER 62 N -2.48 1.82 -4.14 0.00 2.88 -1.25 -5.01 113.62 105.45 3h1j n SER 62 Ca -0.08 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.26 3h1j n SER 62 Cb 0.60 1.01 -0.13 0.00 -0.75 0.00 0.00 64.21 64.94 3h1j n SER 62 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3h1j s GLU 63 N -2.47 0.90 0.00 -1.46 2.02 -1.26 -4.98 118.70 111.45 3h1j s GLU 63 Ca -0.06 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.18 3h1j s GLU 63 Cb 0.05 -0.90 0.00 0.00 0.10 0.00 0.00 34.13 33.38 3h1j s GLU 63 CO 0.54 0.22 0.00 0.39 0.02 0.00 0.00 175.26 176.43