#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 0.78 -0.41 0.00 3.38 -2.04 0.19 115.31 117.21 3h1i h LEU 5 Ca 0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3h1i h LEU 5 Cb 0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3h1i h LEU 5 CO 0.00 0.83 0.25 -0.07 0.09 0.00 0.00 178.44 179.54 3h1i h LEU 6 N 0.69 0.49 0.64 1.67 3.38 -2.04 1.46 115.31 121.59 3h1i h LEU 6 Ca 0.15 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3h1i h LEU 6 Cb 0.38 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.02 3h1i h LEU 6 CO 0.01 0.40 -0.31 0.03 0.09 0.00 0.00 178.44 178.66 3h1i h ARG 7 N 0.54 -0.82 -1.13 1.13 3.08 -1.96 0.17 114.38 115.39 3h1i h ARG 7 Ca 0.15 0.06 0.39 0.00 0.07 0.00 0.00 59.98 60.64 3h1i h ARG 7 Cb -0.00 0.19 -0.15 0.00 0.08 0.00 0.00 29.97 30.09 3h1i h ARG 7 CO -0.03 -0.55 0.68 1.96 -1.07 0.00 0.00 179.97 180.96 3h1i h GLN 8 N -0.98 0.15 0.28 0.04 4.20 -0.36 0.28 115.11 118.72 3h1i h GLN 8 Ca -0.09 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 3h1i h GLN 8 Cb 0.65 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.40 3h1i h GLN 8 CO 0.14 0.10 -0.13 0.00 -0.67 0.00 0.00 178.83 178.27 3h1i h ALA 9 N 1.78 -0.38 -0.50 3.87 0.00 0.23 -2.42 119.26 121.83 3h1i h ALA 9 Ca 0.79 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.67 3h1i h ALA 9 Cb 2.16 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 20.02 3h1i h ALA 9 CO -0.56 -0.36 0.10 -0.92 0.00 0.00 0.00 179.25 177.51 3h1i h TYR 10 N -1.07 0.16 -0.80 0.00 3.20 0.42 0.57 116.97 119.44 3h1i h TYR 10 Ca -0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3h1i h TYR 10 Cb 0.35 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 3h1i h TYR 10 CO 0.02 -0.01 0.47 1.03 -1.64 0.00 0.00 178.16 178.03 3h1i h SER 11 N 0.24 0.97 0.16 -2.11 0.87 -0.60 -0.41 113.55 112.67 3h1i h SER 11 Ca 0.25 -0.06 -0.28 0.00 -1.23 0.00 0.00 61.79 60.47 3h1i h SER 11 Cb 0.34 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.00 3h1i h SER 11 CO -0.33 0.75 -2.11 0.00 -0.53 0.00 0.00 176.83 174.62 3h1i n ALA 12 N -2.42 1.76 0.02 6.23 0.00 -0.85 -4.67 120.51 120.58 3h1i n ALA 12 Ca 0.09 -1.03 -0.02 0.00 0.00 0.00 0.00 53.44 52.47 3h1i n ALA 12 Cb 0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.73 1.21 0.27 0.00 4.77 0.19 -4.82 117.00 115.89 3h1i n LEU 13 Ca -0.23 0.17 0.17 0.00 -0.03 0.00 0.00 56.01 56.08 3h1i n LEU 13 Cb 1.01 -0.40 0.64 0.00 -2.33 0.00 0.00 43.42 42.34 3h1i n LEU 13 CO 0.44 -0.60 0.98 -0.26 -1.33 0.00 0.00 177.39 176.62 3h1i h PHE 14 N -0.20 0.00 0.15 -1.77 0.05 -1.50 -2.32 116.94 111.35 3h1i h PHE 14 Ca -0.01 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.77 3h1i h PHE 14 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.23 3h1i h PHE 14 CO -0.08 0.00 -0.07 -0.09 -0.18 0.00 0.00 178.31 177.89 3h1i h ARG 15 N 0.00 -0.20 -6.11 1.51 2.43 -1.33 -3.41 114.38 107.27 3h1i h ARG 15 Ca 0.00 0.01 -0.54 0.00 -0.81 0.00 0.00 59.98 58.64 3h1i h ARG 15 Cb 0.56 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 3h1i h ARG 15 CO 0.00 -0.13 1.34 0.50 -1.51 0.00 0.00 179.97 180.17 3h1i s ARG 16 N -2.63 2.98 0.50 0.20 3.52 -1.26 -4.81 118.95 117.45 3h1i s ARG 16 Ca -0.03 1.17 0.16 0.00 -0.13 0.00 0.00 55.73 56.89 3h1i s ARG 16 Cb 0.00 -4.30 0.86 0.00 -1.56 0.00 0.00 34.95 29.95 3h1i s ARG 16 CO 0.09 -2.29 1.42 1.15 -0.81 0.00 0.00 175.30 174.86 3h1i h THR 17 N 6.92 0.00 0.12 4.11 2.02 -1.86 0.50 112.91 124.73 3h1i h THR 17 Ca -0.30 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.58 3h1i h THR 17 Cb 1.18 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3h1i h THR 17 CO 1.10 0.00 -1.48 0.77 0.37 0.00 0.00 175.52 176.28 3h1i h SER 18 N 0.00 0.40 0.98 4.18 4.64 -1.91 -3.33 113.55 118.52 3h1i h SER 18 Ca 0.00 -0.53 -0.21 0.00 -0.47 0.00 0.00 61.79 60.58 3h1i h SER 18 Cb 0.94 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.87 3h1i h SER 18 CO 0.00 1.44 -0.99 0.71 -0.87 0.00 0.00 176.83 177.12 3h1i h THR 19 N 0.07 1.71 -0.62 2.95 1.35 -0.28 -3.24 112.91 114.84 3h1i h THR 19 Ca -0.23 -3.37 0.11 0.00 -0.55 0.00 0.00 66.41 62.38 3h1i h THR 19 Cb 2.01 2.82 -0.12 0.00 -1.73 0.00 0.00 68.15 71.14 3h1i h THR 19 CO 0.17 0.96 -0.30 0.15 -0.25 0.00 0.00 175.52 176.26 3h1i h PHE 20 N 0.00 -0.79 0.12 4.73 3.04 -0.61 -0.76 116.94 122.67 3h1i h PHE 20 Ca -0.01 0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.01 3h1i h PHE 20 Cb 1.75 0.44 -0.02 0.00 2.56 0.00 0.00 35.95 40.67 3h1i h PHE 20 CO 0.00 -0.36 -0.31 0.00 -2.02 0.00 0.00 178.31 175.62 3h1i h ALA 21 N 1.17 -0.85 -1.33 2.41 0.00 -1.66 -1.23 119.26 117.76 3h1i h ALA 21 Ca 0.26 -0.08 0.41 0.00 0.00 0.00 0.00 54.91 55.50 3h1i h ALA 21 Cb 0.54 0.68 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 3h1i h ALA 21 CO -0.69 -0.92 0.89 -0.07 0.00 0.00 0.00 179.25 178.46 3h1i h LEU 22 N -0.48 0.22 0.03 0.00 3.38 -1.43 0.72 115.31 117.76 3h1i h LEU 22 Ca -0.01 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3h1i h LEU 22 Cb 0.46 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3h1i h LEU 22 CO -0.14 -0.09 -0.01 0.74 0.09 0.00 0.00 178.44 179.02 3h1i h THR 23 N 0.12 1.19 -0.03 0.22 2.02 -0.03 -0.18 112.91 116.21 3h1i h THR 23 Ca 0.77 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 67.25 3h1i h THR 23 Cb 2.49 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 70.56 3h1i h THR 23 CO -0.30 0.18 0.00 0.58 0.37 0.00 0.00 175.52 176.35 3h1i h VAL 24 N -0.35 0.98 0.00 3.16 2.07 0.12 0.60 116.25 122.83 3h1i h VAL 24 Ca -0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3h1i h VAL 24 Cb 0.32 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3h1i h VAL 24 CO 0.01 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.12 3h1i n VAL 25 N -5.10 0.00 -0.36 2.57 0.31 0.04 0.12 118.33 115.91 3h1i n VAL 25 Ca -0.06 1.47 0.27 0.00 -0.01 0.00 0.00 64.34 66.00 3h1i n VAL 25 Cb 0.04 -2.39 0.54 0.00 -0.91 0.00 0.00 33.84 31.12 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 0.41 0.51 7.52 7.12 -1.07 -1.02 115.31 128.78 3h1i h LEU 26 Ca 0.00 0.11 -0.03 0.00 0.13 0.00 0.00 57.88 58.10 3h1i h LEU 26 Cb 0.00 0.06 0.01 0.00 -0.53 0.00 0.00 40.66 40.19 3h1i h LEU 26 CO 0.00 -0.01 -0.25 1.23 -0.13 0.00 0.00 178.44 179.28 3h1i h GLY 27 N 0.31 -0.72 -0.36 3.75 0.00 0.72 -2.81 103.07 103.96 3h1i h GLY 27 Ca 0.67 0.27 0.12 0.00 0.00 0.00 0.00 47.33 48.39 3h1i h GLY 27 CO -0.37 -0.26 -0.23 0.00 0.00 0.00 0.00 176.54 175.68 3h1i h ALA 28 N -0.83 0.27 -0.82 3.60 0.00 0.19 0.32 119.26 121.99 3h1i h ALA 28 Ca -0.07 0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.21 3h1i h ALA 28 Cb 0.61 0.60 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 3h1i h ALA 28 CO 0.12 -0.51 -0.31 0.28 0.00 0.00 0.00 179.25 178.83 3h1i h VAL 29 N -0.06 0.11 0.01 0.00 2.07 -1.22 1.11 116.25 118.26 3h1i h VAL 29 Ca 0.29 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.81 3h1i h VAL 29 Cb 0.51 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3h1i h VAL 29 CO -0.68 0.00 -0.00 -0.07 0.02 0.00 0.00 177.57 176.84 3h1i h LEU 30 N -0.05 -0.01 -0.90 2.57 3.38 -0.77 -3.07 115.31 116.46 3h1i h LEU 30 Ca 0.33 -0.38 0.20 0.00 0.09 0.00 0.00 57.88 58.12 3h1i h LEU 30 Cb 0.59 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.23 3h1i h LEU 30 CO -0.85 0.38 0.44 0.15 0.09 0.00 0.00 178.44 178.64 3h1i h PHE 31 N -0.40 0.75 0.41 1.13 3.57 0.20 -2.08 116.94 120.52 3h1i h PHE 31 Ca -0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3h1i h PHE 31 Cb 0.39 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3h1i h PHE 31 CO 0.06 0.05 -0.30 1.49 -2.23 0.00 0.00 178.31 177.37 3h1i h GLU 32 N 0.50 -0.66 -0.26 1.11 4.81 0.12 -1.22 114.58 118.99 3h1i h GLU 32 Ca 0.54 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.85 3h1i h GLU 32 Cb 0.96 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.43 3h1i h GLU 32 CO -0.47 -0.44 -0.40 0.00 -0.73 0.00 0.00 179.01 176.97 3h1i h ARG 33 N -0.68 -0.30 -0.60 1.92 3.08 -1.33 -0.35 114.38 116.11 3h1i h ARG 33 Ca -0.05 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.14 3h1i h ARG 33 Cb 0.56 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.59 3h1i h ARG 33 CO 0.02 -0.20 0.08 0.00 -1.07 0.00 0.00 179.97 178.80 3h1i h ALA 34 N -0.43 0.67 0.26 0.04 0.00 -1.43 -1.38 119.26 116.99 3h1i h ALA 34 Ca 0.05 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3h1i h ALA 34 Cb 0.44 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3h1i h ALA 34 CO -0.41 -0.35 -0.13 0.35 0.00 0.00 0.00 179.25 178.71 3h1i h PHE 35 N 0.20 -0.34 -0.87 0.00 3.57 -0.61 -1.93 116.94 116.95 3h1i h PHE 35 Ca 0.32 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 62.01 3h1i h PHE 35 Cb 0.50 0.12 -0.16 0.00 2.79 0.00 0.00 35.95 39.19 3h1i h PHE 35 CO -0.29 -0.21 -0.08 -0.44 -2.23 0.00 0.00 178.31 175.06 3h1i h ASP 36 N -0.35 -0.58 0.15 0.41 3.32 -0.96 0.22 116.42 118.62 3h1i h ASP 36 Ca -0.04 0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.27 3h1i h ASP 36 Cb 0.27 0.47 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 3h1i h ASP 36 CO 0.05 -0.27 -0.21 1.56 -1.72 0.00 0.00 179.24 178.65 3h1i h GLN 37 N 0.04 -0.39 -0.43 3.56 4.20 -1.15 0.73 115.11 121.65 3h1i h GLN 37 Ca 0.47 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 59.17 3h1i h GLN 37 Cb 0.83 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 3h1i h GLN 37 CO -0.84 -0.26 0.12 0.78 -0.67 0.00 0.00 178.83 177.96 3h1i h GLY 38 N -0.41 0.74 0.38 3.46 0.00 -0.48 -1.05 103.07 105.71 3h1i h GLY 38 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3h1i h GLY 38 CO -0.09 0.42 -0.46 0.00 0.00 0.00 0.00 176.54 176.41 3h1i h ALA 39 N 0.97 -0.92 -0.61 3.60 0.00 -0.35 1.39 119.26 123.34 3h1i h ALA 39 Ca 0.14 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.03 3h1i h ALA 39 Cb 0.30 0.72 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 3h1i h ALA 39 CO -0.00 -1.07 0.18 -0.44 0.00 0.00 0.00 179.25 177.91 3h1i h ASP 40 N -0.80 0.10 0.54 0.00 3.32 -0.85 -0.20 116.42 118.53 3h1i h ASP 40 Ca -0.02 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3h1i h ASP 40 Cb 0.76 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 3h1i h ASP 40 CO -0.17 0.06 -0.44 0.00 -1.72 0.00 0.00 179.24 176.97 3h1i h ALA 41 N 1.46 -1.04 -0.80 3.45 0.00 0.29 0.36 119.26 122.99 3h1i h ALA 41 Ca 0.32 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.21 3h1i h ALA 41 Cb 0.45 0.61 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 3h1i h ALA 41 CO -0.37 -1.11 0.31 0.82 0.00 0.00 0.00 179.25 178.90 3h1i h ILE 42 N -0.97 0.57 0.37 0.00 2.04 0.24 -1.18 117.51 118.59 3h1i h ILE 42 Ca -0.06 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3h1i h ILE 42 Cb 0.82 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3h1i h ILE 42 CO -0.01 0.07 -0.18 0.15 0.00 0.00 0.00 178.15 178.18 3h1i h PHE 43 N 0.41 -0.46 -0.98 1.37 3.57 -0.48 -2.52 116.94 117.84 3h1i h PHE 43 Ca 0.46 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 62.15 3h1i h PHE 43 Cb 0.78 0.15 -0.19 0.00 2.79 0.00 0.00 35.95 39.48 3h1i h PHE 43 CO -0.18 -0.29 -0.22 0.93 -2.23 0.00 0.00 178.31 176.32 3h1i h GLU 44 N -0.63 0.00 -0.26 1.11 5.08 0.04 0.25 114.58 120.18 3h1i h GLU 44 Ca -0.05 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3h1i h GLU 44 Cb 0.38 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3h1i h GLU 44 CO 0.08 0.00 0.17 1.25 -1.00 0.00 0.00 179.01 179.51 3h1i h HIS 45 N 0.00 0.33 0.00 4.33 2.76 -1.29 -0.57 115.15 120.71 3h1i h HIS 45 Ca 0.48 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.66 3h1i h HIS 45 Cb 0.76 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.61 3h1i h HIS 45 CO -0.74 0.22 0.00 1.28 -1.30 0.00 0.00 177.93 177.39 3h1i n LEU 46 N -4.90 0.00 -2.73 0.26 4.77 0.85 -1.65 117.00 113.59 3h1i n LEU 46 Ca -0.02 0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 56.14 3h1i n LEU 46 Cb 0.03 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 40.94 3h1i n LEU 46 CO 0.34 -0.22 -0.01 0.59 -1.33 0.00 0.00 177.39 176.75 3h1i n ASN 47 N -1.23 1.87 -4.74 -1.43 3.02 -0.27 -5.08 115.26 107.40 3h1i n ASN 47 Ca 0.00 -2.33 -0.39 0.00 -0.03 0.00 0.00 54.58 51.83 3h1i n ASN 47 Cb 0.00 -0.48 0.03 0.00 -0.61 0.00 0.00 39.78 38.72 3h1i n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h1i n GLU 48 N -0.50 1.93 -0.75 3.52 -0.58 -0.66 -2.69 120.64 120.90 3h1i n GLU 48 Ca 0.11 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 3h1i n GLU 48 Cb 0.81 -2.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.11 3h1i n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h1i n GLY 49 N 0.70 0.33 0.00 0.62 0.00 -1.26 -4.79 105.19 100.80 3h1i n GLY 49 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.67 1.30 -3.63 1.61 5.02 -1.10 -4.67 118.16 115.02 3h1i n LYS 50 Ca 0.00 -0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 55.90 3h1i n LYS 50 Cb 0.07 -1.28 -0.05 0.00 -0.02 0.00 0.00 35.03 33.75 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 -3.37 4.27 0.18 -0.35 1.43 -1.26 -4.93 118.68 114.65 3h1i s LEU 51 Ca 0.00 0.66 0.09 0.00 -1.03 0.00 0.00 54.13 53.85 3h1i s LEU 51 Cb 0.11 -3.30 0.48 0.00 0.03 0.00 0.00 46.19 43.51 3h1i s LEU 51 CO 0.62 0.06 1.18 1.87 0.23 0.00 0.00 176.35 180.30 3h1i n TRP 52 N 0.19 0.30 0.17 0.29 -0.00 -1.26 0.13 117.44 117.27 3h1i n TRP 52 Ca -0.03 0.16 0.04 0.00 -0.00 0.00 0.00 57.50 57.67 3h1i n TRP 52 Cb 0.52 -0.62 0.22 0.00 -0.00 0.00 0.00 31.31 31.43 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 0.01 5.87 3.64 -1.99 -1.75 116.57 122.35 3h1i h LYS 53 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 3h1i h LYS 53 Cb 0.34 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 3h1i h LYS 53 CO 0.00 0.44 -1.63 0.72 -2.27 0.00 0.00 179.45 176.71 3h1i n HIS 54 N -3.41 0.80 -0.19 1.91 8.25 0.36 -4.36 115.22 118.57 3h1i n HIS 54 Ca 0.01 0.32 -0.06 0.00 -0.26 0.00 0.00 57.72 57.73 3h1i n HIS 54 Cb 0.60 -1.08 0.10 0.00 1.12 0.00 0.00 29.99 30.73 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 -0.89 1.25 0.00 1.59 1.08 -1.54 -3.39 117.51 115.62 3h1i h ILE 55 Ca -0.44 -0.98 0.00 0.00 -0.39 0.00 0.00 64.86 63.05 3h1i h ILE 55 Cb 1.45 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 3h1i h ILE 55 CO -0.23 0.36 0.00 1.17 -0.69 0.00 0.00 178.15 178.76 3h1i n LYS 56 N -4.23 0.00 -0.36 2.37 4.81 -0.66 -1.52 118.16 118.57 3h1i n LYS 56 Ca 0.04 0.00 0.28 0.00 -0.87 0.00 0.00 58.31 57.77 3h1i n LYS 56 Cb 0.27 0.00 0.44 0.00 0.02 0.00 0.00 35.03 35.76 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 -0.23 0.00 0.36 5.64 1.44 -1.26 -1.45 115.22 119.72 3h1i n HIS 57 Ca 0.00 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.78 3h1i n HIS 57 Cb 0.00 -0.26 0.33 0.00 0.12 0.00 0.00 29.99 30.17 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 -2.99 0.06 0.00 -1.40 5.02 -0.58 -3.91 118.16 114.37 3h1i n LYS 58 Ca 0.24 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 3h1i n LYS 58 Cb 1.12 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 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 -1.75 0.00 -2.42 2.13 4.02 -0.53 -4.71 117.16 113.90 3h1i n TYR 59 Ca 0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.54 3h1i n TYR 59 Cb 0.15 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.44 3h1i n TYR 59 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3h1i s GLU 60 N -0.42 3.40 -0.45 -0.72 2.56 -1.12 -3.73 118.70 118.22 3h1i s GLU 60 Ca 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 54.97 53.71 3h1i s GLU 60 Cb 0.00 -5.35 0.00 0.00 2.00 0.00 0.00 34.13 30.79 3h1i s GLU 60 CO 0.00 -2.63 0.39 0.00 -0.56 0.00 0.00 175.26 172.45 3h1i n ALA 61 N 10.27 -0.49 -0.01 6.30 0.00 -1.26 -4.78 120.51 130.54 3h1i n ALA 61 Ca 0.40 0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.94 3h1i n ALA 61 Cb 0.48 -1.98 -0.01 0.00 0.00 0.00 0.00 19.45 17.95 3h1i n ALA 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h1i n SER 62 N -0.37 4.00 -4.27 0.00 2.88 -1.24 -5.03 113.62 109.59 3h1i n SER 62 Ca -0.02 -0.01 -0.33 0.00 -1.33 0.00 0.00 58.87 57.19 3h1i n SER 62 Cb 0.53 0.05 -0.15 0.00 -0.75 0.00 0.00 64.21 63.88 3h1i n SER 62 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3h1i s GLU 63 N -2.03 3.21 0.00 -1.46 2.02 -1.26 -5.04 118.70 114.14 3h1i s GLU 63 Ca -0.02 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.22 3h1i s GLU 63 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.64 3h1i s GLU 63 CO 0.03 0.04 0.00 0.39 0.02 0.00 0.00 175.26 175.75