#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqq n THR 4 N 0.00 3.11 -0.00 3.45 -1.04 -1.26 -4.34 114.28 114.20 1sqq n THR 4 Ca 0.00 -2.41 -0.04 0.00 -2.04 0.00 0.00 64.05 59.56 1sqq n THR 4 Cb 0.00 -1.42 -0.01 0.00 -1.82 0.00 0.00 70.33 67.07 1sqq n THR 4 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1sqq n LEU 5 N 0.42 1.11 -0.05 -4.42 0.00 -1.26 -3.18 117.00 109.62 1sqq n LEU 5 Ca 0.42 0.16 -0.01 0.00 0.00 0.00 0.00 56.01 56.58 1sqq n LEU 5 Cb 0.56 -0.38 0.27 0.00 0.00 0.00 0.00 43.42 43.87 1sqq n LEU 5 CO 0.40 -0.40 0.98 0.71 0.00 0.00 0.00 177.39 179.08 1sqq h THR 6 N -0.27 1.20 -0.79 1.96 1.35 -1.99 -3.00 112.91 111.37 1sqq h THR 6 Ca -0.05 -0.73 0.16 0.00 -0.55 0.00 0.00 66.41 65.23 1sqq h THR 6 Cb 0.53 0.79 -0.10 0.00 -1.73 0.00 0.00 68.15 67.63 1sqq h THR 6 CO -0.03 0.26 0.32 0.00 -0.25 0.00 0.00 175.52 175.82 1sqq h ALA 7 N 1.47 1.14 0.16 6.62 0.00 -1.76 0.26 119.26 127.15 1sqq h ALA 7 Ca 0.14 0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.89 1sqq h ALA 7 Cb 0.27 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1sqq h ALA 7 CO 0.00 -0.23 -1.29 -0.09 0.00 0.00 0.00 179.25 177.64 1sqq h ARG 8 N 0.44 0.37 -0.73 0.00 2.43 -1.63 -2.58 114.38 112.68 1sqq h ARG 8 Ca 0.45 -0.61 0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1sqq h ARG 8 Cb 0.72 0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 30.44 1sqq h ARG 8 CO -0.43 1.28 0.48 -0.07 -1.51 0.00 0.00 179.97 179.72 1sqq h LEU 9 N 0.11 0.61 0.06 3.80 3.38 -1.34 -2.16 115.31 119.78 1sqq h LEU 9 Ca -0.17 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1sqq h LEU 9 Cb 2.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1sqq h LEU 9 CO 0.22 0.38 -0.03 0.22 0.09 0.00 0.00 178.44 179.32 1sqq h TYR 10 N 0.68 -0.08 -0.87 1.13 3.20 -0.46 -2.53 116.97 118.06 1sqq h TYR 10 Ca 0.33 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.42 1sqq h TYR 10 Cb 0.38 0.02 -0.14 0.00 1.54 0.00 0.00 36.73 38.53 1sqq h TYR 10 CO -0.00 0.52 0.18 0.77 -1.64 0.00 0.00 178.16 177.99 1sqq h SER 11 N -0.79 -0.10 0.00 -2.11 0.02 -1.48 -1.93 113.55 107.16 1sqq h SER 11 Ca -0.01 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1sqq h SER 11 Cb 0.63 0.30 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1sqq h SER 11 CO 0.01 -0.18 -1.62 0.18 -1.14 0.00 0.00 176.83 174.08 1sqq n LEU 12 N -5.27 0.34 0.00 5.07 4.77 -0.81 -4.67 117.00 116.42 1sqq n LEU 12 Ca 0.20 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1sqq n LEU 12 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1sqq n LEU 12 CO 0.05 0.09 0.00 0.18 -1.33 0.00 0.00 177.39 176.37 1sqq n LEU 13 N -1.98 0.00 0.21 2.23 4.77 -1.10 -4.96 117.00 116.17 1sqq n LEU 13 Ca -0.01 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.09 1sqq n LEU 13 Cb 0.47 0.02 0.16 0.00 -2.33 0.00 0.00 43.42 41.75 1sqq n LEU 13 CO 0.44 -0.08 0.77 -0.26 -1.33 0.00 0.00 177.39 176.92 1sqq h PHE 14 N 0.00 0.00 0.00 -1.77 0.04 -1.24 0.77 116.94 114.74 1sqq h PHE 14 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1sqq h PHE 14 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1sqq h PHE 14 CO 0.00 0.00 0.00 -2.13 -0.60 0.00 0.00 178.31 175.58 1sqq n ARG 15 N -3.07 0.00 -2.11 1.51 0.63 -0.75 -4.65 116.66 108.23 1sqq n ARG 15 Ca 0.04 0.46 -0.42 0.00 -0.92 0.00 0.00 57.85 57.01 1sqq n ARG 15 Cb 0.53 -1.28 -0.03 0.00 0.45 0.00 0.00 32.46 32.13 1sqq n ARG 15 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1sqq s ARG 16 N -2.15 4.29 0.10 -0.14 0.52 -1.26 -4.95 118.95 115.36 1sqq s ARG 16 Ca 0.00 2.14 -0.28 0.00 -0.52 0.00 0.00 55.73 57.07 1sqq s ARG 16 Cb 0.00 -3.26 -0.13 0.00 0.52 0.00 0.00 34.95 32.08 1sqq s ARG 16 CO 0.00 -0.50 1.65 1.15 0.02 0.00 0.00 175.30 177.62 1sqq h THR 17 N 4.27 0.46 0.00 0.02 2.02 -1.89 -1.23 112.91 116.56 1sqq h THR 17 Ca -0.42 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1sqq h THR 17 Cb 1.21 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1sqq h THR 17 CO 0.88 0.00 0.00 -0.24 0.37 0.00 0.00 175.52 176.53 1sqq n SER 18 N -5.38 0.00 0.20 4.18 2.88 -1.26 0.20 113.62 114.44 1sqq n SER 18 Ca -0.09 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.53 1sqq n SER 18 Cb 0.28 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 64.09 1sqq n SER 18 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1sqq h THR 19 N 0.00 0.67 0.12 2.46 1.35 -1.55 0.50 112.91 116.47 1sqq h THR 19 Ca 0.00 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 1sqq h THR 19 Cb 0.00 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 1sqq h THR 19 CO 0.00 0.30 -0.12 0.15 -0.25 0.00 0.00 175.52 175.60 1sqq h PHE 20 N 0.00 -0.30 -0.71 4.73 3.57 0.31 0.72 116.94 125.27 1sqq h PHE 20 Ca -0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1sqq h PHE 20 Cb 0.91 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 1sqq h PHE 20 CO 0.00 -0.18 0.16 0.00 -2.23 0.00 0.00 178.31 176.06 1sqq h ALA 21 N 0.60 0.94 -0.60 2.41 0.00 0.77 0.45 119.26 123.83 1sqq h ALA 21 Ca 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1sqq h ALA 21 Cb 0.25 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1sqq h ALA 21 CO -0.03 0.67 0.38 1.25 0.00 0.00 0.00 179.25 181.52 1sqq h LEU 22 N 1.08 0.63 0.34 0.00 5.85 -0.94 0.11 115.31 122.38 1sqq h LEU 22 Ca 0.22 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1sqq h LEU 22 Cb 0.39 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1sqq h LEU 22 CO 0.00 0.44 -0.29 0.74 -0.34 0.00 0.00 178.44 178.99 1sqq h THR 23 N 0.75 0.38 -0.54 1.05 2.02 -0.32 -1.15 112.91 115.10 1sqq h THR 23 Ca 0.24 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.42 1sqq h THR 23 Cb -0.01 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 1sqq h THR 23 CO -0.09 0.00 0.36 0.16 0.37 0.00 0.00 175.52 176.32 1sqq h ILE 24 N -0.65 1.14 0.14 3.11 -0.00 -0.48 0.42 117.51 121.18 1sqq h ILE 24 Ca -0.02 -0.25 -0.01 0.00 -0.00 0.00 0.00 64.86 64.58 1sqq h ILE 24 Cb 0.58 0.34 0.00 0.00 -0.00 0.00 0.00 36.82 37.74 1sqq h ILE 24 CO -0.03 0.13 -0.07 0.58 -0.00 0.00 0.00 178.15 178.76 1sqq h VAL 25 N 0.73 1.01 -1.00 0.16 2.07 -0.65 0.25 116.25 118.82 1sqq h VAL 25 Ca 0.20 -0.85 0.09 0.00 0.82 0.00 0.00 66.70 66.95 1sqq h VAL 25 Cb -0.08 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 1sqq h VAL 25 CO -0.04 0.19 0.64 0.58 0.02 0.00 0.00 177.57 178.96 1sqq h VAL 26 N -0.61 1.02 -0.20 2.57 2.07 -1.01 -2.28 116.25 117.81 1sqq h VAL 26 Ca -0.02 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 1sqq h VAL 26 Cb 0.47 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1sqq h VAL 26 CO 0.03 0.20 -0.31 1.23 0.02 0.00 0.00 177.57 178.75 1sqq h GLY 27 N 1.11 0.44 1.39 2.17 0.00 -0.03 -2.98 103.07 105.17 1sqq h GLY 27 Ca 0.46 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 1sqq h GLY 27 CO -0.21 0.35 -0.22 0.00 0.00 0.00 0.00 176.54 176.45 1sqq h ALA 28 N 1.32 0.94 -0.01 3.60 0.00 0.08 -2.20 119.26 122.99 1sqq h ALA 28 Ca 0.05 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1sqq h ALA 28 Cb 0.72 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1sqq h ALA 28 CO 0.06 0.61 -0.16 1.25 0.00 0.00 0.00 179.25 181.01 1sqq h LEU 29 N 0.62 0.15 -0.17 0.00 6.46 -1.37 -1.34 115.31 119.66 1sqq h LEU 29 Ca 0.09 -0.74 0.05 0.00 -0.12 0.00 0.00 57.88 57.16 1sqq h LEU 29 Cb 0.71 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.53 1sqq h LEU 29 CO 0.05 0.87 -0.22 -0.26 -0.62 0.00 0.00 178.44 178.26 1sqq h PHE 30 N -0.55 -0.59 -0.62 1.25 -1.00 -1.64 -3.07 116.94 110.72 1sqq h PHE 30 Ca -0.02 0.03 0.13 0.00 2.81 0.00 0.00 57.97 60.92 1sqq h PHE 30 Cb 0.89 0.29 -0.11 0.00 3.61 0.00 0.00 35.95 40.62 1sqq h PHE 30 CO 0.17 -0.30 -0.04 0.35 -1.61 0.00 0.00 178.31 176.88 1sqq h PHE 31 N -0.26 -0.12 -0.10 -0.55 3.57 -1.19 -0.82 116.94 117.47 1sqq h PHE 31 Ca 0.11 0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.50 1sqq h PHE 31 Cb 0.43 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1sqq h PHE 31 CO -0.34 -0.20 -0.61 1.49 -2.23 0.00 0.00 178.31 176.41 1sqq h GLU 32 N 0.08 0.36 0.24 1.11 4.81 -1.20 0.58 114.58 120.56 1sqq h GLU 32 Ca 0.32 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1sqq h GLU 32 Cb 0.52 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1sqq h GLU 32 CO -0.56 0.86 -0.28 -0.09 -0.73 0.00 0.00 179.01 178.21 1sqq h ARG 33 N 0.27 -0.51 -0.12 1.92 9.65 -1.37 -2.15 114.38 122.07 1sqq h ARG 33 Ca -0.01 0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.83 1sqq h ARG 33 Cb 1.14 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 1sqq h ARG 33 CO 0.10 -0.34 -0.26 0.00 2.80 0.00 0.00 179.97 182.28 1sqq h ALA 34 N -1.24 1.35 -0.01 2.80 0.00 -0.10 -2.09 119.26 119.97 1sqq h ALA 34 Ca -0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1sqq h ALA 34 Cb 0.47 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1sqq h ALA 34 CO -0.06 0.45 -0.01 0.35 0.00 0.00 0.00 179.25 179.99 1sqq h PHE 35 N 0.20 0.03 0.00 0.00 3.57 0.00 -3.09 116.94 117.65 1sqq h PHE 35 Ca 0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1sqq h PHE 35 Cb 0.56 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1sqq h PHE 35 CO 0.01 0.44 0.00 -0.25 -2.23 0.00 0.00 178.31 176.28 1sqq n ASP 36 N -4.87 0.00 0.00 0.41 10.43 -0.79 -0.49 116.55 121.24 1sqq n ASP 36 Ca -0.08 0.72 0.00 0.00 2.57 0.00 0.00 54.79 58.00 1sqq n ASP 36 Cb 0.22 -0.22 0.00 0.00 1.84 0.00 0.00 41.12 42.97 1sqq n ASP 36 CO 0.00 0.00 0.00 1.67 -1.07 0.00 0.00 177.20 177.80 1sqq n GLN 37 N -1.22 0.00 0.24 -1.24 7.27 -1.19 0.54 117.38 121.78 1sqq n GLN 37 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.20 1sqq n GLN 37 Cb 0.00 0.00 0.32 0.00 2.41 0.00 0.00 30.24 32.97 1sqq n GLN 37 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1sqq h GLY 38 N 0.00 0.00 1.33 1.69 0.00 -1.42 0.53 103.07 105.20 1sqq h GLY 38 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1sqq h GLY 38 CO 0.00 0.00 -1.38 0.00 0.00 0.00 0.00 176.54 175.16 1sqq h ALA 39 N 1.99 -0.07 0.48 3.60 0.00 0.01 -3.03 119.26 122.23 1sqq h ALA 39 Ca -0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 1sqq h ALA 39 Cb 0.86 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1sqq h ALA 39 CO 0.00 0.74 -0.28 -0.44 0.00 0.00 0.00 179.25 179.27 1sqq h ASP 40 N 0.17 -0.71 -0.90 0.00 3.32 0.76 -0.91 116.42 118.15 1sqq h ASP 40 Ca -0.22 0.04 0.21 0.00 0.02 0.00 0.00 57.03 57.08 1sqq h ASP 40 Cb 2.07 0.21 -0.12 0.00 0.22 0.00 0.00 39.33 41.71 1sqq h ASP 40 CO 0.25 -0.45 0.43 0.00 -1.72 0.00 0.00 179.24 177.75 1sqq h ALA 41 N -0.24 1.45 -0.56 3.45 0.00 -0.11 0.53 119.26 123.78 1sqq h ALA 41 Ca -0.06 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1sqq h ALA 41 Cb 0.58 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1sqq h ALA 41 CO 0.06 -0.28 -0.06 0.82 0.00 0.00 0.00 179.25 179.79 1sqq h ILE 42 N 0.47 1.27 0.33 0.00 1.08 -1.45 -0.65 117.51 118.55 1sqq h ILE 42 Ca 0.55 -1.21 -0.02 0.00 -0.39 0.00 0.00 64.86 63.79 1sqq h ILE 42 Cb 1.00 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 1sqq h ILE 42 CO -0.49 0.43 -0.16 0.22 -0.69 0.00 0.00 178.15 177.47 1sqq h TYR 43 N 0.91 -0.41 0.00 1.37 5.03 0.91 -2.50 116.97 122.29 1sqq h TYR 43 Ca 0.15 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.45 1sqq h TYR 43 Cb 0.62 0.13 0.00 0.00 1.55 0.00 0.00 36.73 39.04 1sqq h TYR 43 CO 0.04 -0.13 0.00 -1.91 -1.32 0.00 0.00 178.16 174.85 1sqq n GLU 44 N -5.07 0.00 0.04 1.82 2.13 0.15 -2.77 120.64 116.94 1sqq n GLU 44 Ca -0.07 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.62 1sqq n GLU 44 Cb 0.24 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.86 1sqq n GLU 44 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1sqq h HIS 45 N 0.00 -0.13 -0.52 4.31 2.76 -0.67 -3.34 115.15 117.55 1sqq h HIS 45 Ca 0.00 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1sqq h HIS 45 Cb 0.00 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1sqq h HIS 45 CO 0.00 0.31 0.02 1.51 -1.30 0.00 0.00 177.93 178.47 1sqq n ILE 46 N -4.94 2.47 -4.39 6.26 0.13 -1.05 -4.66 119.36 113.18 1sqq n ILE 46 Ca -0.09 -1.26 -0.21 0.00 -1.10 0.00 0.00 62.75 60.09 1sqq n ILE 46 Cb 0.25 -0.31 -0.10 0.00 -0.84 0.00 0.00 39.64 38.63 1sqq n ILE 46 CO 0.00 0.00 0.00 0.20 2.80 0.00 0.00 176.55 179.55 1sqq s ASN 47 N -0.70 2.98 0.00 9.51 0.01 -1.11 -5.07 114.94 120.56 1sqq s ASN 47 Ca 0.48 -0.98 0.00 0.00 -0.71 0.00 0.00 52.86 51.66 1sqq s ASN 47 Cb 0.37 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.83 1sqq s ASN 47 CO 0.14 -0.05 0.34 -0.62 -1.51 0.00 0.00 177.10 175.40 1sqq n GLU 48 N -0.27 0.00 0.00 -0.60 4.71 -1.26 -4.84 120.64 118.38 1sqq n GLU 48 Ca -0.08 -0.34 0.00 0.00 -0.01 0.00 0.00 57.16 56.72 1sqq n GLU 48 Cb 0.59 -0.46 0.00 0.00 -1.01 0.00 0.00 31.44 30.56 1sqq n GLU 48 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sqq n GLY 49 N 0.00 3.39 2.29 0.62 0.00 -1.26 -4.91 105.19 105.31 1sqq n GLY 49 Ca 0.00 0.25 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 1sqq n GLY 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sqq n LYS 50 N 9.95 1.09 -0.18 1.61 4.81 -1.26 -4.93 118.16 129.24 1sqq n LYS 50 Ca 0.00 -2.16 -0.02 0.00 -0.87 0.00 0.00 58.31 55.26 1sqq n LYS 50 Cb 0.00 0.37 -0.00 0.00 0.02 0.00 0.00 35.03 35.41 1sqq n LYS 50 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1sqq n LEU 51 N 0.00 0.02 0.19 3.14 4.77 -1.26 -3.37 117.00 120.49 1sqq n LEU 51 Ca -0.06 -0.87 0.07 0.00 -0.03 0.00 0.00 56.01 55.12 1sqq n LEU 51 Cb 0.39 -0.35 0.57 0.00 -2.33 0.00 0.00 43.42 41.70 1sqq n LEU 51 CO 0.22 -1.06 1.08 -0.50 -1.33 0.00 0.00 177.39 175.80 1sqq h TRP 52 N 7.20 0.14 0.00 -1.77 4.06 -1.92 -3.38 115.95 120.28 1sqq h TRP 52 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1sqq h TRP 52 Cb 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.15 1sqq h TRP 52 CO 1.54 0.11 0.00 1.63 -3.56 0.00 0.00 178.44 178.16 1sqq n LYS 53 N -4.50 0.05 0.00 0.49 4.01 -1.22 -2.25 118.16 114.74 1sqq n LYS 53 Ca -0.01 0.21 0.00 0.00 -0.51 0.00 0.00 58.31 58.00 1sqq n LYS 53 Cb 0.10 -1.58 0.00 0.00 -0.51 0.00 0.00 35.03 33.04 1sqq n LYS 53 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1sqq n HIS 54 N -1.67 0.00 0.30 2.13 8.25 -1.26 -2.38 115.22 120.60 1sqq n HIS 54 Ca 0.04 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.61 1sqq n HIS 54 Cb 0.24 0.00 0.49 0.00 1.12 0.00 0.00 29.99 31.84 1sqq n HIS 54 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1sqq n ILE 55 N 0.00 0.97 -0.12 1.59 3.06 -0.95 -3.20 119.36 120.70 1sqq n ILE 55 Ca 0.00 0.42 -0.25 0.00 -2.50 0.00 0.00 62.75 60.42 1sqq n ILE 55 Cb 0.00 -1.37 -0.11 0.00 0.54 0.00 0.00 39.64 38.70 1sqq n ILE 55 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1sqq n LYS 56 N -2.17 0.61 -0.00 9.51 4.01 -1.00 -4.76 118.16 124.35 1sqq n LYS 56 Ca 0.01 0.32 0.05 0.00 -0.51 0.00 0.00 58.31 58.18 1sqq n LYS 56 Cb 0.15 -1.58 -0.07 0.00 -0.51 0.00 0.00 35.03 33.02 1sqq n LYS 56 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1sqq n HIS 57 N -4.07 0.00 0.43 2.13 8.25 -1.20 -4.67 115.22 116.10 1sqq n HIS 57 Ca -0.46 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.11 1sqq n HIS 57 Cb 0.87 -0.12 -0.10 0.00 1.12 0.00 0.00 29.99 31.75 1sqq n HIS 57 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1sqq n LYS 58 N -1.56 0.37 0.25 -0.41 4.81 -1.22 -3.82 118.16 116.59 1sqq n LYS 58 Ca -0.00 -0.08 0.11 0.00 -0.87 0.00 0.00 58.31 57.47 1sqq n LYS 58 Cb 0.22 -1.54 0.64 0.00 0.02 0.00 0.00 35.03 34.36 1sqq n LYS 58 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1sqq h TYR 59 N 0.00 0.00 0.00 5.64 3.20 -1.83 -3.34 116.97 120.64 1sqq h TYR 59 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1sqq h TYR 59 Cb 0.79 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1sqq h TYR 59 CO 0.00 0.16 0.00 0.39 -1.64 0.00 0.00 178.16 177.07 1sqq n GLU 60 N -3.62 0.15 0.00 1.82 4.71 -1.25 -5.23 120.64 117.22 1sqq n GLU 60 Ca -0.01 0.32 0.12 0.00 -0.01 0.00 0.00 57.16 57.58 1sqq n GLU 60 Cb 0.29 -1.75 0.71 0.00 -1.01 0.00 0.00 31.44 29.68 1sqq n GLU 60 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31