#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqx h PRO 3 N 0.00 0.00 -7.11 0.00 0.11 -2.07 -3.46 132.00 119.47 1sqx h PRO 3 Ca 0.00 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 1sqx h PRO 3 Cb 0.00 0.00 0.10 0.00 0.11 0.00 0.00 31.00 31.21 1sqx h PRO 3 CO 0.00 0.07 0.44 -0.08 -0.21 0.00 0.00 178.00 178.22 1sqx s THR 4 N -4.86 2.90 -0.06 -1.15 -1.32 -1.26 -4.94 115.64 104.94 1sqx s THR 4 Ca -0.05 0.54 -0.03 0.00 -1.21 0.00 0.00 61.69 60.94 1sqx s THR 4 Cb 0.16 -3.18 -0.27 0.00 -1.51 0.00 0.00 72.50 67.70 1sqx s THR 4 CO 0.67 -0.14 0.60 0.25 -2.21 0.00 0.00 174.62 173.79 1sqx h LEU 5 N 0.86 0.38 -1.48 9.08 6.46 -2.00 -3.00 115.31 125.63 1sqx h LEU 5 Ca -0.50 -0.69 0.10 0.00 -0.12 0.00 0.00 57.88 56.67 1sqx h LEU 5 Cb 1.28 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 41.04 1sqx h LEU 5 CO 0.55 1.60 0.48 0.71 -0.62 0.00 0.00 178.44 181.17 1sqx h THR 6 N 0.07 0.91 0.24 1.05 1.35 -1.98 0.50 112.91 115.04 1sqx h THR 6 Ca -0.34 -0.20 -0.01 0.00 -0.55 0.00 0.00 66.41 65.31 1sqx h THR 6 Cb 2.04 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1sqx h THR 6 CO 0.12 0.11 -0.12 0.00 -0.25 0.00 0.00 175.52 175.38 1sqx h ALA 7 N 1.64 -0.32 -0.15 6.62 0.00 -1.95 -0.99 119.26 124.10 1sqx h ALA 7 Ca 0.34 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1sqx h ALA 7 Cb 0.54 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1sqx h ALA 7 CO -0.12 -0.64 -0.29 0.00 0.00 0.00 0.00 179.25 178.20 1sqx h ARG 8 N -0.40 0.29 -0.70 0.00 2.47 -1.36 0.20 114.38 114.89 1sqx h ARG 8 Ca -0.03 -0.11 0.01 0.00 -1.26 0.00 0.00 59.98 58.59 1sqx h ARG 8 Cb 0.31 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.57 1sqx h ARG 8 CO 0.05 0.56 0.46 -0.07 0.56 0.00 0.00 179.97 181.53 1sqx h LEU 9 N 0.26 0.78 -0.10 3.04 3.38 -0.87 -1.46 115.31 120.33 1sqx h LEU 9 Ca 0.04 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1sqx h LEU 9 Cb 0.65 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1sqx h LEU 9 CO 0.05 0.56 -0.18 0.22 0.09 0.00 0.00 178.44 179.18 1sqx h TYR 10 N 0.92 0.38 -0.50 1.13 3.20 -0.58 -2.01 116.97 119.51 1sqx h TYR 10 Ca 0.26 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1sqx h TYR 10 Cb -0.08 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 1sqx h TYR 10 CO -0.03 0.78 0.32 1.03 -1.64 0.00 0.00 178.16 178.63 1sqx h SER 11 N -0.14 0.58 0.54 -2.11 0.87 -0.58 -0.47 113.55 112.25 1sqx h SER 11 Ca 0.01 -0.02 -0.29 0.00 -1.23 0.00 0.00 61.79 60.25 1sqx h SER 11 Cb 0.75 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1sqx h SER 11 CO 0.04 0.43 -1.51 -0.07 -0.53 0.00 0.00 176.83 175.19 1sqx h LEU 12 N 0.67 0.21 0.00 2.23 -0.00 -1.38 -3.43 115.31 113.62 1sqx h LEU 12 Ca 0.18 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 1sqx h LEU 12 Cb -0.06 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.53 1sqx h LEU 12 CO -0.04 1.27 -0.68 0.18 -0.00 0.00 0.00 178.44 179.17 1sqx n LEU 13 N -3.33 0.64 -0.07 1.67 4.77 -0.78 -4.90 117.00 115.01 1sqx n LEU 13 Ca -0.14 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.74 1sqx n LEU 13 Cb 1.03 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.96 1sqx n LEU 13 CO 0.48 0.11 -0.88 0.49 -1.33 0.00 0.00 177.39 176.25 1sqx n PHE 14 N -1.73 0.43 -0.19 -1.77 3.72 -0.92 -1.14 117.46 115.86 1sqx n PHE 14 Ca 0.00 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1sqx n PHE 14 Cb 0.34 -1.08 0.10 0.00 -0.94 0.00 0.00 39.48 37.90 1sqx n PHE 14 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1sqx h ARG 15 N 0.00 0.26 -5.86 -1.08 2.43 -1.37 -3.40 114.38 105.36 1sqx h ARG 15 Ca -0.44 -0.02 -0.59 0.00 -0.81 0.00 0.00 59.98 58.13 1sqx h ARG 15 Cb 2.15 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 31.57 1sqx h ARG 15 CO 0.05 0.17 -0.18 1.03 -1.51 0.00 0.00 179.97 179.53 1sqx s ARG 16 N -6.11 4.15 0.29 0.20 0.52 -1.26 -5.00 118.95 111.73 1sqx s ARG 16 Ca -0.13 0.42 0.01 0.00 -0.52 0.00 0.00 55.73 55.51 1sqx s ARG 16 Cb 0.17 -3.33 0.44 0.00 0.52 0.00 0.00 34.95 32.75 1sqx s ARG 16 CO 0.74 0.42 1.79 1.15 0.02 0.00 0.00 175.30 179.41 1sqx h THR 17 N 4.22 1.23 -0.11 0.02 2.02 -1.91 0.16 112.91 118.55 1sqx h THR 17 Ca -0.46 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 1sqx h THR 17 Cb 1.20 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1sqx h THR 17 CO 0.69 0.34 0.03 0.77 0.37 0.00 0.00 175.52 177.71 1sqx h SER 18 N 0.60 0.16 -0.75 4.18 4.64 -1.94 0.11 113.55 120.55 1sqx h SER 18 Ca 0.12 -0.23 0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1sqx h SER 18 Cb 0.46 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 1sqx h SER 18 CO 0.02 0.35 0.49 0.74 -0.87 0.00 0.00 176.83 177.57 1sqx h THR 19 N -0.03 1.19 -0.69 2.95 2.02 -1.77 0.17 112.91 116.75 1sqx h THR 19 Ca 0.03 -0.35 0.10 0.00 0.77 0.00 0.00 66.41 66.96 1sqx h THR 19 Cb 0.25 0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 66.68 1sqx h THR 19 CO 0.00 0.18 0.32 0.15 0.37 0.00 0.00 175.52 176.54 1sqx h PHE 20 N 1.01 0.56 -0.26 3.16 3.57 0.88 0.10 116.94 125.97 1sqx h PHE 20 Ca 0.28 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.69 1sqx h PHE 20 Cb -0.11 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.48 1sqx h PHE 20 CO -0.02 0.18 -0.29 0.00 -2.23 0.00 0.00 178.31 175.95 1sqx h ALA 21 N 1.43 0.38 -0.70 2.41 0.00 -0.24 -2.49 119.26 120.06 1sqx h ALA 21 Ca 0.34 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1sqx h ALA 21 Cb 0.39 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1sqx h ALA 21 CO -0.29 0.40 0.45 1.25 0.00 0.00 0.00 179.25 181.06 1sqx h LEU 22 N 0.38 0.75 -1.29 0.00 5.85 -0.46 -0.87 115.31 119.66 1sqx h LEU 22 Ca 0.04 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1sqx h LEU 22 Cb 0.87 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1sqx h LEU 22 CO 0.07 0.53 -0.34 0.00 -0.34 0.00 0.00 178.44 178.37 1sqx h THR 23 N 0.89 1.08 -0.13 1.05 1.03 -0.83 -1.73 112.91 114.27 1sqx h THR 23 Ca 0.27 -1.22 -0.06 0.00 -0.01 0.00 0.00 66.41 65.40 1sqx h THR 23 Cb -0.03 1.69 -0.00 0.00 -1.07 0.00 0.00 68.15 68.74 1sqx h THR 23 CO -0.09 0.33 -0.14 0.40 -0.01 0.00 0.00 175.52 176.01 1sqx h ILE 24 N 0.00 1.36 -0.14 0.00 2.04 -0.90 -0.83 117.51 119.04 1sqx h ILE 24 Ca -0.00 -1.32 -0.08 0.00 1.00 0.00 0.00 64.86 64.46 1sqx h ILE 24 Cb 0.66 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1sqx h ILE 24 CO 0.04 0.38 -0.21 0.58 0.00 0.00 0.00 178.15 178.95 1sqx h VAL 25 N -0.06 1.36 -0.82 1.67 2.07 -1.07 0.32 116.25 119.72 1sqx h VAL 25 Ca 0.02 -1.44 0.06 0.00 0.82 0.00 0.00 66.70 66.17 1sqx h VAL 25 Cb 0.68 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 32.35 1sqx h VAL 25 CO 0.03 0.42 0.49 0.58 0.02 0.00 0.00 177.57 179.12 1sqx h VAL 26 N -0.00 1.02 -0.57 2.57 2.07 -1.46 -2.39 116.25 117.49 1sqx h VAL 26 Ca 0.01 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1sqx h VAL 26 Cb 0.78 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1sqx h VAL 26 CO 0.05 0.16 0.38 1.23 0.02 0.00 0.00 177.57 179.41 1sqx h GLY 27 N 0.90 0.79 1.60 2.17 0.00 -0.74 -3.03 103.07 104.75 1sqx h GLY 27 Ca 0.36 -0.29 -0.22 0.00 0.00 0.00 0.00 47.33 47.18 1sqx h GLY 27 CO -0.18 0.28 -0.95 0.00 0.00 0.00 0.00 176.54 175.69 1sqx h ALA 28 N 1.65 0.38 0.52 3.60 0.00 -0.04 -1.94 119.26 123.44 1sqx h ALA 28 Ca 0.21 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1sqx h ALA 28 Cb -0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1sqx h ALA 28 CO -0.05 0.85 -0.30 1.25 0.00 0.00 0.00 179.25 181.00 1sqx h LEU 29 N 0.19 -0.73 -1.06 0.00 5.85 -1.38 -1.87 115.31 116.31 1sqx h LEU 29 Ca -0.08 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 1sqx h LEU 29 Cb 1.59 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.82 1sqx h LEU 29 CO 0.16 -0.48 -0.32 -0.26 -0.34 0.00 0.00 178.44 177.20 1sqx h PHE 30 N -0.77 0.00 -0.22 1.25 -1.00 -1.60 -2.64 116.94 111.95 1sqx h PHE 30 Ca -0.06 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.63 1sqx h PHE 30 Cb 0.61 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.17 1sqx h PHE 30 CO -0.08 0.32 -0.19 0.35 -1.61 0.00 0.00 178.31 177.11 1sqx h PHE 31 N 0.00 0.62 -0.95 -0.55 3.57 -1.36 -2.68 116.94 115.59 1sqx h PHE 31 Ca -0.00 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 61.34 1sqx h PHE 31 Cb 0.81 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 1sqx h PHE 31 CO 0.00 0.85 0.62 1.49 -2.23 0.00 0.00 178.31 179.04 1sqx h GLU 32 N 0.21 1.20 0.48 1.11 4.81 -0.99 0.13 114.58 121.53 1sqx h GLU 32 Ca 0.04 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1sqx h GLU 32 Cb 0.73 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1sqx h GLU 32 CO 0.05 0.79 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.80 1sqx h ARG 33 N 1.24 -0.62 -0.12 1.92 9.65 -1.59 -2.59 114.38 122.26 1sqx h ARG 33 Ca 0.37 0.04 -0.11 0.00 -1.10 0.00 0.00 59.98 59.17 1sqx h ARG 33 Cb -0.06 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 1sqx h ARG 33 CO -0.10 -0.36 -0.42 0.00 2.80 0.00 0.00 179.97 181.89 1sqx h ALA 34 N -0.29 1.06 0.00 2.80 0.00 -1.11 0.13 119.26 121.85 1sqx h ALA 34 Ca -0.07 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1sqx h ALA 34 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1sqx h ALA 34 CO 0.11 0.61 -0.22 0.35 0.00 0.00 0.00 179.25 180.09 1sqx h PHE 35 N 0.23 0.22 -0.38 0.00 3.57 -0.88 -2.51 116.94 117.20 1sqx h PHE 35 Ca 0.02 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.35 1sqx h PHE 35 Cb 0.85 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 1sqx h PHE 35 CO 0.02 0.94 0.03 -0.44 -2.23 0.00 0.00 178.31 176.62 1sqx h ASP 36 N -0.57 0.54 0.02 0.41 3.32 -1.25 0.29 116.42 119.18 1sqx h ASP 36 Ca -0.03 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 56.94 1sqx h ASP 36 Cb 1.00 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 1sqx h ASP 36 CO 0.04 0.59 -0.11 -0.61 -1.72 0.00 0.00 179.24 177.44 1sqx h GLN 37 N 0.56 -0.19 0.20 3.56 4.15 -0.84 -2.85 115.11 119.70 1sqx h GLN 37 Ca 0.12 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 1sqx h GLN 37 Cb 0.31 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1sqx h GLN 37 CO 0.01 -0.12 -0.10 0.78 -1.93 0.00 0.00 178.83 177.47 1sqx h GLY 38 N -0.19 -0.29 1.76 2.39 0.00 -1.01 -2.58 103.07 103.16 1sqx h GLY 38 Ca 0.03 0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 1sqx h GLY 38 CO -0.10 -0.10 -0.11 0.00 0.00 0.00 0.00 176.54 176.23 1sqx h ALA 39 N -0.13 1.47 -0.09 3.60 0.00 -0.57 0.80 119.26 124.34 1sqx h ALA 39 Ca -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1sqx h ALA 39 Cb 0.50 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1sqx h ALA 39 CO 0.05 0.37 -0.03 -0.44 0.00 0.00 0.00 179.25 179.20 1sqx h ASP 40 N 0.28 0.18 -0.13 0.00 3.32 -1.59 -2.53 116.42 115.95 1sqx h ASP 40 Ca 0.06 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1sqx h ASP 40 Cb 0.38 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1sqx h ASP 40 CO 0.02 0.53 0.05 0.00 -1.72 0.00 0.00 179.24 178.12 1sqx h ALA 41 N 0.66 1.77 -0.09 3.45 0.00 -0.94 0.18 119.26 124.28 1sqx h ALA 41 Ca 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1sqx h ALA 41 Cb 0.45 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1sqx h ALA 41 CO 0.01 0.19 -0.11 0.82 0.00 0.00 0.00 179.25 180.16 1sqx h ILE 42 N 0.24 1.37 -0.77 0.00 1.08 -0.93 -2.51 117.51 116.00 1sqx h ILE 42 Ca 0.06 -1.31 -0.04 0.00 -0.39 0.00 0.00 64.86 63.18 1sqx h ILE 42 Cb 0.08 2.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.83 1sqx h ILE 42 CO -0.00 0.37 0.31 0.22 -0.69 0.00 0.00 178.15 178.36 1sqx h TYR 43 N -0.19 1.17 -0.42 1.37 3.20 -0.98 -1.07 116.97 120.05 1sqx h TYR 43 Ca 0.01 -0.08 -0.15 0.00 3.14 0.00 0.00 58.73 61.65 1sqx h TYR 43 Cb 0.65 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1sqx h TYR 43 CO 0.09 0.88 -0.32 0.93 -1.64 0.00 0.00 178.16 178.10 1sqx h GLU 44 N 1.12 0.95 -0.21 1.82 5.08 -0.76 -2.85 114.58 119.74 1sqx h GLU 44 Ca 0.26 -0.47 -0.13 0.00 -1.00 0.00 0.00 59.36 58.02 1sqx h GLU 44 Cb 0.21 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1sqx h GLU 44 CO -0.02 1.13 -0.43 1.25 -1.00 0.00 0.00 179.01 179.94 1sqx h HIS 45 N 0.80 0.60 0.00 4.33 2.76 -1.24 -2.80 115.15 119.59 1sqx h HIS 45 Ca 0.08 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1sqx h HIS 45 Cb 0.91 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.75 1sqx h HIS 45 CO 0.06 0.85 0.00 1.51 -1.30 0.00 0.00 177.93 179.05 1sqx n ILE 46 N -4.01 0.72 -3.69 6.26 0.13 -0.42 -4.00 119.36 114.35 1sqx n ILE 46 Ca -0.02 0.02 -0.27 0.00 -1.10 0.00 0.00 62.75 61.38 1sqx n ILE 46 Cb 0.53 -0.92 -0.10 0.00 -0.84 0.00 0.00 39.64 38.30 1sqx n ILE 46 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 1sqx n ASN 47 N -2.22 2.96 0.23 9.51 3.02 -1.06 -5.04 115.26 122.67 1sqx n ASN 47 Ca 0.04 -3.22 -0.15 0.00 -0.03 0.00 0.00 54.58 51.21 1sqx n ASN 47 Cb 0.31 -0.71 -0.08 0.00 -0.61 0.00 0.00 39.78 38.68 1sqx n ASN 47 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1sqx h GLU 48 N 4.96 -0.50 0.00 3.52 4.57 -1.69 -3.39 114.58 122.04 1sqx h GLU 48 Ca 0.17 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1sqx h GLU 48 Cb 0.74 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1sqx h GLU 48 CO 0.73 -0.32 0.00 0.41 -1.18 0.00 0.00 179.01 178.64 1sqx n GLY 49 N -1.27 0.76 5.00 1.92 0.00 -1.26 -4.93 105.19 105.41 1sqx n GLY 49 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1sqx n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sqx n LYS 50 N 0.00 0.00 -3.08 1.61 5.02 -1.26 -4.61 118.16 115.83 1sqx n LYS 50 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1sqx n LYS 50 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1sqx n LYS 50 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1sqx s LEU 51 N 0.00 3.96 0.67 -0.35 2.34 -1.26 -4.94 118.68 119.09 1sqx s LEU 51 Ca 0.00 1.02 0.42 0.00 0.06 0.00 0.00 54.13 55.63 1sqx s LEU 51 Cb 0.00 -3.86 2.27 0.00 -0.56 0.00 0.00 46.19 44.03 1sqx s LEU 51 CO 0.00 -0.28 2.28 -0.25 -1.06 0.00 0.00 176.35 177.04 1sqx h TRP 52 N 1.65 0.00 -0.11 3.48 7.01 -1.98 0.13 115.95 126.13 1sqx h TRP 52 Ca -0.47 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.47 1sqx h TRP 52 Cb 1.18 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.23 1sqx h TRP 52 CO 0.60 0.00 -0.19 -0.22 -2.79 0.00 0.00 178.44 175.84 1sqx h LYS 53 N 0.00 0.17 0.00 2.65 3.11 -1.94 -1.71 116.57 118.86 1sqx h LYS 53 Ca 0.00 -0.05 -0.24 0.00 -2.81 0.00 0.00 60.65 57.56 1sqx h LYS 53 Cb 0.14 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.31 1sqx h LYS 53 CO -0.00 0.37 -1.87 0.72 -2.81 0.00 0.00 179.45 175.86 1sqx n HIS 54 N -4.24 0.53 0.14 1.91 8.25 0.39 -4.13 115.22 118.08 1sqx n HIS 54 Ca -0.01 0.18 -0.01 0.00 -0.26 0.00 0.00 57.72 57.63 1sqx n HIS 54 Cb 0.30 -1.00 0.23 0.00 1.12 0.00 0.00 29.99 30.64 1sqx n HIS 54 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1sqx h ILE 55 N 0.00 1.36 -0.89 1.59 2.04 -1.45 -3.41 117.51 116.75 1sqx h ILE 55 Ca -0.29 -1.76 0.24 0.00 1.00 0.00 0.00 64.86 64.04 1sqx h ILE 55 Cb 1.81 1.92 -0.17 0.00 -0.74 0.00 0.00 36.82 39.65 1sqx h ILE 55 CO 0.04 0.51 -0.02 1.17 0.00 0.00 0.00 178.15 179.85 1sqx n LYS 56 N -3.93 -0.07 0.28 2.37 0.00 -0.64 -1.49 118.16 114.67 1sqx n LYS 56 Ca -0.02 1.35 0.18 0.00 0.00 0.00 0.00 58.31 59.82 1sqx n LYS 56 Cb 0.53 -2.12 0.75 0.00 0.00 0.00 0.00 35.03 34.19 1sqx n LYS 56 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.40 178.52 1sqx h HIS 57 N 0.00 0.00 -0.35 5.64 2.07 -1.87 -2.87 115.15 117.77 1sqx h HIS 57 Ca 0.52 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 58.01 1sqx h HIS 57 Cb 1.04 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.01 1sqx h HIS 57 CO -0.49 0.01 0.06 0.87 -3.07 0.00 0.00 177.93 175.31 1sqx h LYS 58 N 0.00 0.51 -5.28 5.12 6.56 -1.60 -3.42 116.57 118.46 1sqx h LYS 58 Ca -0.00 -0.09 -0.66 0.00 -1.06 0.00 0.00 60.65 58.84 1sqx h LYS 58 Cb 0.45 -0.09 -0.28 0.00 -0.57 0.00 0.00 32.23 31.74 1sqx h LYS 58 CO 0.00 0.49 -0.78 0.71 -2.06 0.00 0.00 179.45 177.81 1sqx s TYR 59 N -5.09 2.78 0.00 -1.35 2.02 -1.08 -5.10 117.35 109.53 1sqx s TYR 59 Ca -0.08 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 55.84 1sqx s TYR 59 Cb 0.16 -1.85 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1sqx s TYR 59 CO 0.75 -0.30 0.00 -0.85 -1.57 0.00 0.00 175.55 173.58 1sqx n GLU 60 N 3.69 0.26 0.00 -0.62 0.28 -1.26 -4.98 120.64 118.01 1sqx n GLU 60 Ca -0.18 0.00 0.15 0.00 -0.16 0.00 0.00 57.16 56.96 1sqx n GLU 60 Cb 0.52 0.00 0.65 0.00 1.43 0.00 0.00 31.44 34.05 1sqx n GLU 60 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06