#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1i h LEU 5 N 0.00 0.73 -0.85 0.00 3.38 -2.04 0.21 115.31 116.74 3h1i h LEU 5 Ca 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3h1i h LEU 5 Cb 0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3h1i h LEU 5 CO 0.00 0.66 0.41 -0.07 0.09 0.00 0.00 178.44 179.53 3h1i h LEU 6 N 0.75 1.10 0.49 1.67 3.38 -2.04 1.29 115.31 121.96 3h1i h LEU 6 Ca 0.19 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3h1i h LEU 6 Cb 0.12 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3h1i h LEU 6 CO -0.02 0.93 -0.24 0.03 0.09 0.00 0.00 178.44 179.23 3h1i h ARG 7 N 1.20 -0.64 -1.12 1.13 3.08 -1.94 0.10 114.38 116.20 3h1i h ARG 7 Ca 0.29 0.04 0.38 0.00 0.07 0.00 0.00 59.98 60.76 3h1i h ARG 7 Cb 0.11 0.15 -0.14 0.00 0.08 0.00 0.00 29.97 30.16 3h1i h ARG 7 CO -0.04 -0.43 0.67 1.96 -1.07 0.00 0.00 179.97 181.07 3h1i h GLN 8 N -1.02 0.17 0.29 0.04 4.20 -0.31 0.32 115.11 118.80 3h1i h GLN 8 Ca -0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3h1i h GLN 8 Cb 0.51 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3h1i h GLN 8 CO 0.11 0.12 -0.14 0.00 -0.67 0.00 0.00 178.83 178.25 3h1i h ALA 9 N 1.78 -0.48 -0.44 3.87 0.00 0.18 -2.13 119.26 122.04 3h1i h ALA 9 Ca 0.78 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.69 3h1i h ALA 9 Cb 2.10 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.95 3h1i h ALA 9 CO -0.55 -0.45 -0.12 -0.92 0.00 0.00 0.00 179.25 177.20 3h1i h TYR 10 N -0.85 -0.27 -0.92 0.00 3.20 -0.01 0.53 116.97 118.65 3h1i h TYR 10 Ca -0.04 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.92 3h1i h TYR 10 Cb 0.29 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.69 3h1i h TYR 10 CO 0.02 -0.20 0.60 1.03 -1.64 0.00 0.00 178.16 177.97 3h1i h SER 11 N -0.02 0.96 0.16 -2.11 0.87 -0.50 -0.54 113.55 112.37 3h1i h SER 11 Ca 0.21 -0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.61 3h1i h SER 11 Cb 0.34 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 3h1i h SER 11 CO -0.46 0.64 -2.00 0.00 -0.53 0.00 0.00 176.83 174.49 3h1i n ALA 12 N -2.39 2.19 0.03 6.23 0.00 -0.80 -4.67 120.51 121.10 3h1i n ALA 12 Ca 0.13 -0.80 -0.01 0.00 0.00 0.00 0.00 53.44 52.76 3h1i n ALA 12 Cb 0.15 -0.60 -0.00 0.00 0.00 0.00 0.00 19.45 19.00 3h1i n ALA 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h1i n LEU 13 N -2.56 0.95 0.20 0.00 4.77 0.18 -4.84 117.00 115.71 3h1i n LEU 13 Ca -0.15 0.12 0.14 0.00 -0.03 0.00 0.00 56.01 56.09 3h1i n LEU 13 Cb 0.82 -0.30 0.52 0.00 -2.33 0.00 0.00 43.42 42.13 3h1i n LEU 13 CO 0.44 -0.60 0.91 -0.26 -1.33 0.00 0.00 177.39 176.56 3h1i h PHE 14 N -0.04 0.00 0.00 -1.77 0.05 -1.46 -2.48 116.94 111.24 3h1i h PHE 14 Ca -0.01 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.78 3h1i h PHE 14 Cb 0.23 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.18 3h1i h PHE 14 CO -0.02 0.00 0.00 -2.13 -0.18 0.00 0.00 178.31 175.98 3h1i n ARG 15 N -2.69 0.00 -1.69 1.51 0.63 -0.22 -4.55 116.66 109.65 3h1i n ARG 15 Ca 0.02 0.19 -0.40 0.00 -0.92 0.00 0.00 57.85 56.74 3h1i n ARG 15 Cb 0.33 -0.94 -0.03 0.00 0.45 0.00 0.00 32.46 32.26 3h1i n ARG 15 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3h1i s ARG 16 N -1.08 2.74 0.64 -0.14 0.52 -1.26 -4.81 118.95 115.57 3h1i s ARG 16 Ca 0.00 1.57 0.15 0.00 -0.52 0.00 0.00 55.73 56.93 3h1i s ARG 16 Cb 0.00 -4.42 0.82 0.00 0.52 0.00 0.00 34.95 31.87 3h1i s ARG 16 CO 0.00 -2.55 1.45 1.15 0.02 0.00 0.00 175.30 175.37 3h1i h THR 17 N 7.27 0.00 0.18 0.02 2.02 -1.86 0.35 112.91 120.89 3h1i h THR 17 Ca -0.32 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.56 3h1i h THR 17 Cb 1.23 0.33 0.03 0.00 -1.74 0.00 0.00 68.15 68.01 3h1i h THR 17 CO 1.07 0.00 -1.27 0.77 0.37 0.00 0.00 175.52 176.46 3h1i h SER 18 N 0.00 0.80 0.89 4.18 4.64 -1.91 -3.30 113.55 118.86 3h1i h SER 18 Ca 0.00 -0.88 -0.13 0.00 -0.47 0.00 0.00 61.79 60.30 3h1i h SER 18 Cb 1.29 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 3h1i h SER 18 CO 0.00 1.62 -0.64 0.71 -0.87 0.00 0.00 176.83 177.65 3h1i h THR 19 N 0.11 1.29 -0.55 2.95 1.35 -0.55 -3.10 112.91 114.41 3h1i h THR 19 Ca -0.21 -2.32 0.11 0.00 -0.55 0.00 0.00 66.41 63.44 3h1i h THR 19 Cb 1.97 2.31 -0.11 0.00 -1.73 0.00 0.00 68.15 70.59 3h1i h THR 19 CO 0.24 0.62 -0.18 0.15 -0.25 0.00 0.00 175.52 176.10 3h1i h PHE 20 N 0.00 -0.43 0.06 4.73 3.04 -0.90 -1.05 116.94 122.38 3h1i h PHE 20 Ca -0.01 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 3h1i h PHE 20 Cb 1.26 0.27 -0.01 0.00 2.56 0.00 0.00 35.95 40.03 3h1i h PHE 20 CO 0.00 -0.28 -0.17 0.00 -2.02 0.00 0.00 178.31 175.84 3h1i h ALA 21 N 1.43 -0.73 -1.45 2.41 0.00 -1.63 -1.13 119.26 118.16 3h1i h ALA 21 Ca 0.26 -0.04 0.44 0.00 0.00 0.00 0.00 54.91 55.57 3h1i h ALA 21 Cb 0.45 0.57 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 3h1i h ALA 21 CO -0.59 -0.76 0.99 -0.07 0.00 0.00 0.00 179.25 178.81 3h1i h LEU 22 N -0.26 0.16 0.09 0.00 3.38 -1.51 1.50 115.31 118.66 3h1i h LEU 22 Ca -0.00 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3h1i h LEU 22 Cb 0.26 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3h1i h LEU 22 CO -0.09 -0.09 -0.04 0.74 0.09 0.00 0.00 178.44 179.06 3h1i h THR 23 N 0.07 1.08 -0.17 0.22 2.02 -0.05 0.59 112.91 116.68 3h1i h THR 23 Ca 0.79 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3h1i h THR 23 Cb 2.76 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 70.65 3h1i h THR 23 CO -0.24 0.16 0.11 0.58 0.37 0.00 0.00 175.52 176.50 3h1i h VAL 24 N -0.41 1.05 0.00 3.16 2.07 0.31 0.45 116.25 122.88 3h1i h VAL 24 Ca -0.01 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3h1i h VAL 24 Cb 0.34 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3h1i h VAL 24 CO 0.02 0.05 0.00 0.52 0.02 0.00 0.00 177.57 178.17 3h1i n VAL 25 N -4.97 0.00 -0.43 2.57 0.31 0.22 0.12 118.33 116.15 3h1i n VAL 25 Ca -0.04 1.34 0.36 0.00 -0.01 0.00 0.00 64.34 65.99 3h1i n VAL 25 Cb 0.03 -2.29 0.64 0.00 -0.91 0.00 0.00 33.84 31.31 3h1i n VAL 25 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3h1i h LEU 26 N 0.00 0.26 0.19 7.52 7.12 -0.90 0.79 115.31 130.29 3h1i h LEU 26 Ca 0.00 0.13 -0.01 0.00 0.13 0.00 0.00 57.88 58.13 3h1i h LEU 26 Cb 0.00 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.25 3h1i h LEU 26 CO 0.00 -0.16 -0.09 1.23 -0.13 0.00 0.00 178.44 179.29 3h1i h GLY 27 N 0.11 -0.27 -0.23 3.75 0.00 0.25 -2.91 103.07 103.77 3h1i h GLY 27 Ca 0.80 0.10 0.14 0.00 0.00 0.00 0.00 47.33 48.37 3h1i h GLY 27 CO -0.40 -0.10 -0.04 0.00 0.00 0.00 0.00 176.54 176.00 3h1i h ALA 28 N -0.36 0.62 -0.65 3.60 0.00 0.32 0.19 119.26 122.98 3h1i h ALA 28 Ca -0.03 0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.20 3h1i h ALA 28 Cb 0.51 0.40 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 3h1i h ALA 28 CO 0.04 -0.41 -0.44 0.28 0.00 0.00 0.00 179.25 178.72 3h1i h VAL 29 N 0.08 0.07 0.25 0.00 2.07 -1.17 0.84 116.25 118.39 3h1i h VAL 29 Ca 0.35 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.86 3h1i h VAL 29 Cb 0.58 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3h1i h VAL 29 CO -0.61 0.00 -0.12 -0.07 0.02 0.00 0.00 177.57 176.79 3h1i h LEU 30 N -0.19 -0.28 -0.83 2.57 3.38 -0.90 -2.94 115.31 116.11 3h1i h LEU 30 Ca 0.19 -0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.29 3h1i h LEU 30 Cb 0.56 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.25 3h1i h LEU 30 CO -0.73 -0.09 0.24 0.15 0.09 0.00 0.00 178.44 178.09 3h1i h PHE 31 N -0.46 0.36 0.37 1.13 3.57 0.86 -1.30 116.94 121.48 3h1i h PHE 31 Ca -0.03 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3h1i h PHE 31 Cb 0.34 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3h1i h PHE 31 CO -0.03 -0.14 -0.31 1.49 -2.23 0.00 0.00 178.31 177.09 3h1i h GLU 32 N 0.26 -0.64 -0.42 1.11 4.81 0.80 -0.43 114.58 120.06 3h1i h GLU 32 Ca 0.51 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.83 3h1i h GLU 32 Cb 0.96 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.41 3h1i h GLU 32 CO -0.59 -0.43 -0.51 0.00 -0.73 0.00 0.00 179.01 176.75 3h1i h ARG 33 N -0.67 -0.32 -0.37 1.92 3.08 -1.14 0.32 114.38 117.20 3h1i h ARG 33 Ca -0.05 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.10 3h1i h ARG 33 Cb 0.56 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.61 3h1i h ARG 33 CO -0.01 -0.21 -0.10 0.00 -1.07 0.00 0.00 179.97 178.58 3h1i h ALA 34 N -0.11 0.24 0.36 0.04 0.00 -1.34 -1.86 119.26 116.59 3h1i h ALA 34 Ca 0.07 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3h1i h ALA 34 Cb 0.53 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3h1i h ALA 34 CO -0.57 -0.46 -0.24 0.35 0.00 0.00 0.00 179.25 178.32 3h1i h PHE 35 N -0.01 -0.66 -0.78 0.00 3.57 -0.20 -1.96 116.94 116.90 3h1i h PHE 35 Ca 0.18 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.82 3h1i h PHE 35 Cb 0.28 0.24 -0.14 0.00 2.79 0.00 0.00 35.95 39.12 3h1i h PHE 35 CO -0.34 -0.35 -0.29 -0.44 -2.23 0.00 0.00 178.31 174.65 3h1i h ASP 36 N -0.57 -1.05 0.08 0.41 3.32 -0.89 0.41 116.42 118.13 3h1i h ASP 36 Ca -0.05 0.25 0.02 0.00 0.02 0.00 0.00 57.03 57.28 3h1i h ASP 36 Cb 0.47 0.59 -0.04 0.00 0.22 0.00 0.00 39.33 40.56 3h1i h ASP 36 CO 0.03 -0.29 -0.33 1.56 -1.72 0.00 0.00 179.24 178.49 3h1i h GLN 37 N -0.06 -0.51 -0.45 3.56 4.20 -1.23 0.17 115.11 120.79 3h1i h GLN 37 Ca 0.33 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.06 3h1i h GLN 37 Cb 0.58 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 3h1i h GLN 37 CO -0.82 -0.34 0.23 0.78 -0.67 0.00 0.00 178.83 178.01 3h1i h GLY 38 N -0.53 0.68 0.30 3.46 0.00 -0.58 -0.60 103.07 105.79 3h1i h GLY 38 Ca 0.04 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.07 3h1i h GLY 38 CO -0.22 0.30 -0.41 0.00 0.00 0.00 0.00 176.54 176.21 3h1i h ALA 39 N 1.08 -0.73 -0.62 3.60 0.00 0.30 0.90 119.26 123.79 3h1i h ALA 39 Ca 0.16 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3h1i h ALA 39 Cb 0.08 0.68 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 3h1i h ALA 39 CO -0.02 -0.98 0.28 -0.44 0.00 0.00 0.00 179.25 178.09 3h1i h ASP 40 N -0.65 0.35 0.53 0.00 3.32 -0.60 -1.06 116.42 118.31 3h1i h ASP 40 Ca 0.02 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3h1i h ASP 40 Cb 0.68 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3h1i h ASP 40 CO -0.23 0.22 -0.43 0.00 -1.72 0.00 0.00 179.24 177.07 3h1i h ALA 41 N 1.38 -1.15 -0.77 3.45 0.00 0.22 0.45 119.26 122.84 3h1i h ALA 41 Ca 0.30 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.20 3h1i h ALA 41 Cb 0.30 0.62 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 3h1i h ALA 41 CO -0.25 -1.15 -0.02 0.82 0.00 0.00 0.00 179.25 178.65 3h1i h ILE 42 N -0.94 0.31 0.45 0.00 2.04 0.12 -0.64 117.51 118.84 3h1i h ILE 42 Ca -0.07 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 3h1i h ILE 42 Cb 0.79 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3h1i h ILE 42 CO -0.00 0.02 -0.21 0.15 0.00 0.00 0.00 178.15 178.10 3h1i h PHE 43 N 0.08 -0.55 -0.96 1.37 3.57 -0.81 -2.20 116.94 117.44 3h1i h PHE 43 Ca 0.42 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.08 3h1i h PHE 43 Cb 0.74 0.18 -0.17 0.00 2.79 0.00 0.00 35.95 39.50 3h1i h PHE 43 CO -0.45 -0.35 -0.32 0.93 -2.23 0.00 0.00 178.31 175.90 3h1i h GLU 44 N -0.74 -0.01 -0.09 1.11 5.08 0.29 0.19 114.58 120.42 3h1i h GLU 44 Ca -0.06 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3h1i h GLU 44 Cb 0.46 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 3h1i h GLU 44 CO 0.10 -0.01 -0.11 1.25 -1.00 0.00 0.00 179.01 179.24 3h1i h HIS 45 N -0.01 -0.27 0.00 4.33 2.76 -1.17 0.10 115.15 120.89 3h1i h HIS 45 Ca 0.40 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.58 3h1i h HIS 45 Cb 0.65 0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.74 3h1i h HIS 45 CO -0.80 -0.17 0.02 1.28 -1.30 0.00 0.00 177.93 176.96 3h1i n LEU 46 N -5.25 0.00 -2.74 0.26 4.77 0.61 -1.35 117.00 113.31 3h1i n LEU 46 Ca -0.04 0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 56.09 3h1i n LEU 46 Cb 0.17 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3h1i n LEU 46 CO 0.25 -0.19 -0.01 0.59 -1.33 0.00 0.00 177.39 176.70 3h1i n ASN 47 N -1.16 1.86 -4.76 -1.43 3.02 0.30 -5.08 115.26 108.01 3h1i n ASN 47 Ca 0.00 -2.31 -0.39 0.00 -0.03 0.00 0.00 54.58 51.85 3h1i n ASN 47 Cb 0.02 -0.48 0.03 0.00 -0.61 0.00 0.00 39.78 38.74 3h1i n ASN 47 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3h1i s GLU 48 N -3.66 3.49 0.00 3.52 0.41 -0.46 -2.75 118.70 119.25 3h1i s GLU 48 Ca 0.29 2.37 0.00 0.00 -0.41 0.00 0.00 54.97 57.22 3h1i s GLU 48 Cb 0.35 -2.52 0.00 0.00 -1.78 0.00 0.00 34.13 30.19 3h1i s GLU 48 CO -0.02 -0.96 0.00 0.41 -0.49 0.00 0.00 175.26 174.20 3h1i n GLY 49 N 0.63 0.38 0.00 -1.39 0.00 -1.26 -4.80 105.19 98.74 3h1i n GLY 49 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 3h1i n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h1i n LYS 50 N -1.64 2.03 -3.54 1.61 5.02 -1.11 -4.69 118.16 115.84 3h1i n LYS 50 Ca 0.00 -0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 55.96 3h1i n LYS 50 Cb 0.08 -1.16 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 3h1i n LYS 50 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1i s LEU 51 N -3.04 4.17 0.14 -0.35 1.43 -1.26 -4.94 118.68 114.83 3h1i s LEU 51 Ca 0.01 0.59 0.09 0.00 -1.03 0.00 0.00 54.13 53.79 3h1i s LEU 51 Cb 0.09 -3.36 0.49 0.00 0.03 0.00 0.00 46.19 43.43 3h1i s LEU 51 CO 0.51 -0.08 1.26 1.87 0.23 0.00 0.00 176.35 180.14 3h1i n TRP 52 N -0.59 0.31 0.16 0.29 -0.00 -1.26 0.17 117.44 116.51 3h1i n TRP 52 Ca -0.03 0.16 0.03 0.00 -0.00 0.00 0.00 57.50 57.66 3h1i n TRP 52 Cb 0.53 -0.73 0.20 0.00 -0.00 0.00 0.00 31.31 31.31 3h1i n TRP 52 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 3h1i h LYS 53 N 0.00 0.00 0.00 5.87 3.64 -1.99 -2.00 116.57 122.09 3h1i h LYS 53 Ca 0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 3h1i h LYS 53 Cb 0.05 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3h1i h LYS 53 CO 0.00 0.48 -1.16 0.72 -2.27 0.00 0.00 179.45 177.22 3h1i n HIS 54 N -3.44 0.86 -0.15 1.91 8.25 0.13 -4.33 115.22 118.45 3h1i n HIS 54 Ca 0.00 0.37 -0.01 0.00 -0.26 0.00 0.00 57.72 57.83 3h1i n HIS 54 Cb 0.62 -0.98 0.24 0.00 1.12 0.00 0.00 29.99 30.99 3h1i n HIS 54 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3h1i h ILE 55 N -1.00 1.20 0.00 1.59 1.08 -1.51 -3.38 117.51 115.49 3h1i h ILE 55 Ca -0.27 -0.56 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 3h1i h ILE 55 Cb 1.10 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 3h1i h ILE 55 CO -0.16 0.23 0.00 1.17 -0.69 0.00 0.00 178.15 178.70 3h1i n LYS 56 N -4.35 0.00 -0.39 2.37 4.81 -0.75 -1.56 118.16 118.29 3h1i n LYS 56 Ca 0.05 0.00 0.30 0.00 -0.87 0.00 0.00 58.31 57.79 3h1i n LYS 56 Cb 0.13 0.00 0.46 0.00 0.02 0.00 0.00 35.03 35.64 3h1i n LYS 56 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 3h1i n HIS 57 N -0.26 0.00 0.40 5.64 1.44 -1.26 -1.55 115.22 119.62 3h1i n HIS 57 Ca 0.00 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.77 3h1i n HIS 57 Cb 0.00 -0.28 0.25 0.00 0.12 0.00 0.00 29.99 30.08 3h1i n HIS 57 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3h1i n LYS 58 N -3.05 0.00 0.00 -1.40 5.02 -0.60 -3.50 118.16 114.63 3h1i n LYS 58 Ca 0.25 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 3h1i n LYS 58 Cb 1.17 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 3h1i n LYS 58 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3h1i n TYR 59 N -1.49 0.00 0.00 2.13 4.02 -0.60 -5.07 117.16 116.15 3h1i n TYR 59 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 3h1i n TYR 59 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 3h1i n TYR 59 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3h1i n GLU 60 N -0.16 0.52 0.01 -0.72 -0.58 -1.20 -5.00 120.64 113.51 3h1i n GLU 60 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3h1i n GLU 60 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3h1i n GLU 60 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h1i n ALA 61 N -3.00 3.00 -1.12 0.62 0.00 -1.26 -5.10 120.51 113.65 3h1i n ALA 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3h1i n ALA 61 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.72 3h1i n ALA 61 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37