#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xeq s ILE 10 N 0.00 5.31 0.20 5.09 1.01 -1.26 -5.07 121.20 126.49 1xeq s ILE 10 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.77 1xeq s ILE 10 Cb 0.00 -3.59 -0.09 0.00 0.01 0.00 0.00 42.46 38.79 1xeq s ILE 10 CO 0.00 0.35 1.38 -0.70 0.00 0.00 0.00 174.94 175.97 1xeq s GLU 11 N 0.84 4.33 0.09 2.79 2.12 -1.26 -5.02 118.70 122.58 1xeq s GLU 11 Ca 0.13 2.16 0.02 0.00 0.36 0.00 0.00 54.97 57.64 1xeq s GLU 11 Cb -0.13 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 1xeq s GLU 11 CO 0.04 -0.35 -0.07 0.14 -0.54 0.00 0.00 175.26 174.48 1xeq s VAL 12 N 0.25 0.71 0.80 3.70 -7.23 -1.26 -5.17 120.40 112.20 1xeq s VAL 12 Ca 0.59 -1.77 -0.12 0.00 -1.81 0.00 0.00 61.98 58.87 1xeq s VAL 12 Cb -0.39 -1.49 0.07 0.00 0.56 0.00 0.00 36.38 35.14 1xeq s VAL 12 CO 0.39 -0.76 1.10 -0.83 -0.31 0.00 0.00 175.10 174.69 1xeq s GLY 13 N -2.76 1.62 0.62 2.32 0.00 -1.26 -4.98 107.32 102.88 1xeq s GLY 13 Ca 0.08 -0.26 0.32 0.00 0.00 0.00 0.00 44.72 44.86 1xeq s GLY 13 CO -0.03 0.18 2.10 -0.56 0.00 0.00 0.00 173.10 174.79 1xeq h PRO 14 N -1.10 0.00 0.00 2.90 0.13 -2.05 -1.75 132.00 130.13 1xeq h PRO 14 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xeq h PRO 14 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1xeq h PRO 14 CO 0.60 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.15 1xeq h GLY 15 N 0.00 0.00 2.00 1.56 0.00 -2.03 -2.89 103.07 101.70 1xeq h GLY 15 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1xeq h GLY 15 CO -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.40 1xeq h ALA 16 N 2.01 0.99 0.97 3.60 0.00 -1.70 -2.47 119.26 122.66 1xeq h ALA 16 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1xeq h ALA 16 Cb 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xeq h ALA 16 CO 0.00 0.18 -0.47 1.15 0.00 0.00 0.00 179.25 180.11 1xeq h THR 17 N 0.00 0.00 -0.67 0.00 2.02 -1.74 0.11 112.91 112.64 1xeq h THR 17 Ca -0.00 -0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1xeq h THR 17 Cb 0.75 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1xeq h THR 17 CO 0.02 0.00 0.22 -1.13 0.37 0.00 0.00 175.52 174.99 1xeq h ASN 18 N -1.31 0.94 -0.99 4.18 -1.24 -1.77 -2.28 115.58 113.11 1xeq h ASN 18 Ca -0.13 -0.16 0.02 0.00 0.71 0.00 0.00 56.30 56.74 1xeq h ASN 18 Cb 1.00 -0.24 -0.05 0.00 0.73 0.00 0.00 38.32 39.75 1xeq h ASN 18 CO 0.22 0.87 0.66 0.00 -1.29 0.00 0.00 177.43 177.89 1xeq h ALA 19 N 1.25 1.31 -0.06 1.57 0.00 -1.42 -1.27 119.26 120.64 1xeq h ALA 19 Ca 0.22 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 1xeq h ALA 19 Cb 0.27 -0.39 0.02 0.00 0.00 0.00 0.00 17.79 17.69 1xeq h ALA 19 CO -0.01 0.62 -0.93 1.15 0.00 0.00 0.00 179.25 180.08 1xeq h THR 20 N 1.32 1.28 -0.49 0.00 2.02 -0.71 0.27 112.91 116.60 1xeq h THR 20 Ca 0.37 -2.14 0.07 0.00 0.77 0.00 0.00 66.41 65.49 1xeq h THR 20 Cb -0.10 2.21 -0.06 0.00 -1.74 0.00 0.00 68.15 68.46 1xeq h THR 20 CO -0.09 0.67 0.16 0.40 0.37 0.00 0.00 175.52 177.02 1xeq h ILE 21 N 0.45 0.80 -0.16 3.11 2.04 -1.27 0.16 117.51 122.64 1xeq h ILE 21 Ca -0.09 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1xeq h ILE 21 Cb 1.57 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1xeq h ILE 21 CO 0.18 0.06 -0.04 0.78 0.00 0.00 0.00 178.15 179.14 1xeq h ASN 22 N 0.32 0.31 -0.12 1.72 2.35 -0.98 -0.61 115.58 118.57 1xeq h ASN 22 Ca 0.24 -0.36 0.05 0.00 -0.55 0.00 0.00 56.30 55.67 1xeq h ASN 22 Cb 0.27 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.50 1xeq h ASN 22 CO -0.26 0.60 -0.29 0.15 -1.65 0.00 0.00 177.43 175.98 1xeq h PHE 23 N 0.01 -0.78 0.00 1.19 3.57 -0.36 -1.49 116.94 119.08 1xeq h PHE 23 Ca 0.04 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1xeq h PHE 23 Cb 0.46 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1xeq h PHE 23 CO 0.05 -0.37 -0.22 0.93 -2.23 0.00 0.00 178.31 176.48 1xeq h GLU 24 N -0.37 0.00 -0.33 1.11 5.08 -0.51 0.28 114.58 119.85 1xeq h GLU 24 Ca 0.10 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1xeq h GLU 24 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1xeq h GLU 24 CO -0.32 0.22 -0.18 0.00 -1.00 0.00 0.00 179.01 177.72 1xeq h ALA 25 N 1.78 1.09 -0.78 3.43 0.00 -0.49 -0.54 119.26 123.75 1xeq h ALA 25 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1xeq h ALA 25 Cb 0.48 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1xeq h ALA 25 CO 0.03 0.56 0.44 0.78 0.00 0.00 0.00 179.25 181.06 1xeq h GLY 26 N 0.98 1.16 0.92 0.00 0.00 -0.09 -1.84 103.07 104.19 1xeq h GLY 26 Ca 0.09 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 46.91 1xeq h GLY 26 CO 0.04 0.50 0.05 -2.22 0.00 0.00 0.00 176.54 174.91 1xeq h ILE 27 N 1.08 0.98 -0.57 2.60 1.08 -0.57 -2.21 117.51 119.90 1xeq h ILE 27 Ca 0.28 -0.04 0.07 0.00 -0.39 0.00 0.00 64.86 64.77 1xeq h ILE 27 Cb 0.02 0.85 -0.06 0.00 -3.07 0.00 0.00 36.82 34.56 1xeq h ILE 27 CO -0.05 0.02 0.26 0.25 -0.69 0.00 0.00 178.15 177.94 1xeq h LEU 28 N 0.12 0.32 -0.98 1.44 5.85 -0.98 -1.14 115.31 119.94 1xeq h LEU 28 Ca 0.05 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1xeq h LEU 28 Cb 0.02 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 1xeq h LEU 28 CO -0.05 0.21 0.63 -0.08 -0.34 0.00 0.00 178.44 178.82 1xeq h GLU 29 N 0.48 1.13 -0.24 1.25 4.57 -1.07 -0.71 114.58 119.99 1xeq h GLU 29 Ca 0.27 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.32 1xeq h GLU 29 Cb 0.25 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1xeq h GLU 29 CO -0.22 0.75 -0.07 0.00 -1.18 0.00 0.00 179.01 178.28 1xeq h TYR 31 N 0.19 0.36 -0.55 0.00 -1.99 -0.85 -1.74 116.97 112.40 1xeq h TYR 31 Ca 0.06 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.86 1xeq h TYR 31 Cb 0.54 -0.08 -0.05 0.00 2.00 0.00 0.00 36.73 39.14 1xeq h TYR 31 CO 0.05 0.12 0.29 0.93 -0.00 0.00 0.00 178.16 179.55 1xeq h GLU 32 N 0.39 0.54 -0.67 4.88 5.08 -0.78 -0.45 114.58 123.57 1xeq h GLU 32 Ca 0.26 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1xeq h GLU 32 Cb 0.27 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1xeq h GLU 32 CO -0.25 0.36 0.27 0.00 -1.00 0.00 0.00 179.01 178.39 1xeq h ARG 33 N 0.55 0.98 -0.32 2.33 3.08 -0.84 -3.02 114.38 117.13 1xeq h ARG 33 Ca 0.24 -0.16 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 1xeq h ARG 33 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1xeq h ARG 33 CO -0.16 0.79 -0.43 0.35 -1.07 0.00 0.00 179.97 179.45 1xeq h PHE 34 N 0.96 0.99 -0.65 3.04 3.57 -1.00 -3.04 116.94 120.81 1xeq h PHE 34 Ca 0.23 -0.31 0.12 0.00 3.53 0.00 0.00 57.97 61.54 1xeq h PHE 34 Cb 0.17 -0.20 -0.09 0.00 2.79 0.00 0.00 35.95 38.62 1xeq h PHE 34 CO 0.01 1.10 0.17 1.03 -2.23 0.00 0.00 178.31 178.39 1xeq h SER 35 N 0.66 0.06 0.29 0.41 0.87 -0.97 -0.72 113.55 114.16 1xeq h SER 35 Ca 0.05 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1xeq h SER 35 Cb 1.00 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1xeq h SER 35 CO 0.10 0.02 -0.02 -0.50 -0.53 0.00 0.00 176.83 175.90 1xeq h TRP 36 N 0.30 0.00 0.00 2.24 4.06 -1.44 0.44 115.95 121.55 1xeq h TRP 36 Ca 0.35 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.30 1xeq h TRP 36 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1xeq h TRP 36 CO -0.23 0.02 0.00 1.04 -3.56 0.00 0.00 178.44 175.71 1xeq n GLN 37 N -3.25 0.21 -1.38 0.49 1.13 -0.28 -4.84 117.38 109.46 1xeq n GLN 37 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 1xeq n GLN 37 Cb 0.15 -1.02 0.00 0.00 0.11 0.00 0.00 30.24 29.48 1xeq n GLN 37 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1xeq n ARG 38 N -0.34 -1.65 0.00 -1.09 1.74 0.15 -4.69 116.66 110.79 1xeq n ARG 38 Ca 0.00 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.22 1xeq n ARG 38 Cb 0.01 -3.11 0.54 0.00 -1.02 0.00 0.00 32.46 28.88 1xeq n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xeq n ALA 39 N -1.31 2.71 -2.51 7.54 0.00 -1.25 -4.84 120.51 120.86 1xeq n ALA 39 Ca 0.00 -0.39 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1xeq n ALA 39 Cb 0.19 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 1xeq n ALA 39 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xeq s LEU 40 N -2.16 4.70 1.11 0.00 2.96 -1.26 -5.05 118.68 118.98 1xeq s LEU 40 Ca 0.35 -0.50 -0.17 0.00 -0.22 0.00 0.00 54.13 53.60 1xeq s LEU 40 Cb 0.21 -2.40 0.24 0.00 0.50 0.00 0.00 46.19 44.74 1xeq s LEU 40 CO 0.39 -0.51 1.13 1.51 -1.32 0.00 0.00 176.35 177.55 1xeq s ASP 41 N 1.79 1.75 0.10 3.68 1.47 -1.26 -4.65 116.67 119.56 1xeq s ASP 41 Ca 0.13 0.74 -0.18 0.00 1.18 0.00 0.00 52.55 54.43 1xeq s ASP 41 Cb -0.17 -1.09 -0.05 0.00 -0.34 0.00 0.00 42.92 41.26 1xeq s ASP 41 CO 0.13 -3.62 1.59 1.88 0.68 0.00 0.00 175.17 175.83 1xeq h TYR 42 N -2.24 0.52 -0.03 2.11 0.99 -1.99 0.81 116.97 117.15 1xeq h TYR 42 Ca -0.48 -0.07 0.01 0.00 2.00 0.00 0.00 58.73 60.19 1xeq h TYR 42 Cb 1.30 -0.15 -0.00 0.00 1.00 0.00 0.00 36.73 38.88 1xeq h TYR 42 CO -1.25 0.57 0.03 -1.35 -0.00 0.00 0.00 178.16 176.16 1xeq h PRO 43 N 0.33 0.00 0.04 4.88 0.11 -1.99 -1.23 132.00 134.14 1xeq h PRO 43 Ca 0.09 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.95 1xeq h PRO 43 Cb 0.32 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.44 1xeq h PRO 43 CO 0.00 0.00 -1.06 0.78 -0.21 0.00 0.00 178.00 177.51 1xeq h GLY 44 N 0.00 0.55 1.70 -0.55 0.00 -1.52 -2.39 103.07 100.86 1xeq h GLY 44 Ca 0.02 -1.05 -0.13 0.00 0.00 0.00 0.00 47.33 46.17 1xeq h GLY 44 CO -0.00 0.92 -0.46 1.46 0.00 0.00 0.00 176.54 178.46 1xeq h GLN 45 N 0.25 0.33 -0.11 4.80 4.20 -0.52 -1.52 115.11 122.55 1xeq h GLN 45 Ca -0.12 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.30 1xeq h GLN 45 Cb 1.72 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.51 1xeq h GLN 45 CO 0.19 0.73 -0.36 -0.44 -0.67 0.00 0.00 178.83 178.28 1xeq h ASP 46 N 0.27 0.51 -0.94 1.46 3.45 -1.23 -2.22 116.42 117.71 1xeq h ASP 46 Ca 0.02 -0.61 0.12 0.00 0.43 0.00 0.00 57.03 56.99 1xeq h ASP 46 Cb 0.92 -0.15 -0.09 0.00 -0.56 0.00 0.00 39.33 39.46 1xeq h ASP 46 CO 0.08 1.03 0.57 -0.09 -1.57 0.00 0.00 179.24 179.25 1xeq h ARG 47 N 0.02 0.85 -0.15 3.56 2.43 -1.31 -1.35 114.38 118.43 1xeq h ARG 47 Ca -0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1xeq h ARG 47 Cb 0.99 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 1xeq h ARG 47 CO 0.08 0.56 0.06 1.25 -1.51 0.00 0.00 179.97 180.41 1xeq h LEU 48 N 0.88 0.21 -0.99 3.80 5.85 -1.24 -0.47 115.31 123.35 1xeq h LEU 48 Ca 0.48 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.97 1xeq h LEU 48 Cb 0.52 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1xeq h LEU 48 CO -0.29 0.32 0.07 0.45 -0.34 0.00 0.00 178.44 178.66 1xeq h HIS 49 N 0.09 0.84 -0.28 1.25 3.86 -1.01 -0.88 115.15 119.02 1xeq h HIS 49 Ca 0.05 -0.09 -0.15 0.00 -1.16 0.00 0.00 60.37 59.02 1xeq h HIS 49 Cb 0.17 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 1xeq h HIS 49 CO -0.01 0.74 -0.40 -0.09 0.86 0.00 0.00 177.93 179.03 1xeq h ARG 50 N 0.77 0.77 0.12 2.45 2.43 -1.24 -1.39 114.38 118.28 1xeq h ARG 50 Ca 0.16 -0.45 0.02 0.00 -0.81 0.00 0.00 59.98 58.90 1xeq h ARG 50 Cb 0.36 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 1xeq h ARG 50 CO 0.01 1.08 -0.32 1.25 -1.51 0.00 0.00 179.97 180.47 1xeq h LEU 51 N 0.52 -0.93 -0.68 3.80 5.85 -0.78 -0.81 115.31 122.27 1xeq h LEU 51 Ca 0.03 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1xeq h LEU 51 Cb 0.99 0.35 -0.05 0.00 0.37 0.00 0.00 40.66 42.32 1xeq h LEU 51 CO 0.09 -0.41 0.40 0.50 -0.34 0.00 0.00 178.44 178.68 1xeq h LYS 52 N -0.55 0.73 -0.31 1.25 3.64 -1.11 0.75 116.57 120.97 1xeq h LYS 52 Ca 0.03 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1xeq h LYS 52 Cb 0.58 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1xeq h LYS 52 CO -0.19 0.48 0.12 0.00 -2.27 0.00 0.00 179.45 177.59 1xeq h ARG 53 N 0.75 0.47 -0.31 1.90 3.08 -0.93 -1.43 114.38 117.91 1xeq h ARG 53 Ca 0.30 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 60.10 1xeq h ARG 53 Cb 0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1xeq h ARG 53 CO -0.16 0.48 -0.45 0.87 -1.07 0.00 0.00 179.97 179.64 1xeq h LYS 54 N 0.35 0.80 -0.75 0.04 1.57 -0.92 -2.82 116.57 114.85 1xeq h LYS 54 Ca 0.10 -0.45 -0.06 0.00 -1.87 0.00 0.00 60.65 58.37 1xeq h LYS 54 Cb 0.19 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1xeq h LYS 54 CO -0.01 1.09 0.24 1.25 -0.57 0.00 0.00 179.45 181.45 1xeq h LEU 55 N 0.64 1.09 -1.18 2.94 5.85 -0.80 -0.46 115.31 123.38 1xeq h LEU 55 Ca 0.04 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1xeq h LEU 55 Cb 1.03 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 1xeq h LEU 55 CO 0.10 1.00 0.56 -0.33 -0.34 0.00 0.00 178.44 179.43 1xeq h GLU 56 N 1.12 1.04 -0.21 1.25 5.08 -1.14 0.85 114.58 122.57 1xeq h GLU 56 Ca 0.24 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1xeq h GLU 56 Cb 0.30 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xeq h GLU 56 CO -0.01 0.69 -0.26 1.03 -1.00 0.00 0.00 179.01 179.46 1xeq h SER 57 N 1.07 0.59 -0.52 1.42 0.87 -1.18 -1.36 113.55 114.44 1xeq h SER 57 Ca 0.34 -0.50 -0.04 0.00 -1.23 0.00 0.00 61.79 60.36 1xeq h SER 57 Cb 0.01 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 1xeq h SER 57 CO -0.10 0.97 0.18 0.03 -0.53 0.00 0.00 176.83 177.38 1xeq h ARG 58 N 0.22 0.85 -0.18 2.24 3.08 -0.78 -0.15 114.38 119.66 1xeq h ARG 58 Ca 0.03 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 1xeq h ARG 58 Cb 0.82 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 1xeq h ARG 58 CO 0.06 0.73 -0.09 0.82 -1.07 0.00 0.00 179.97 180.42 1xeq h ILE 59 N 0.82 1.31 -0.73 2.04 2.04 -0.72 0.12 117.51 122.39 1xeq h ILE 59 Ca 0.19 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1xeq h ILE 59 Cb 0.23 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 1xeq h ILE 59 CO -0.01 0.34 0.46 0.11 0.00 0.00 0.00 178.15 179.05 1xeq h LYS 60 N 0.07 0.97 -0.12 2.37 1.57 -0.65 -0.14 116.57 120.64 1xeq h LYS 60 Ca 0.04 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1xeq h LYS 60 Cb 0.58 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1xeq h LYS 60 CO 0.03 0.67 -0.34 1.15 -0.57 0.00 0.00 179.45 180.39 1xeq h THR 61 N 0.99 1.37 -0.53 -0.16 2.02 -0.85 -1.62 112.91 114.13 1xeq h THR 61 Ca 0.26 -1.64 -0.03 0.00 0.77 0.00 0.00 66.41 65.78 1xeq h THR 61 Cb -0.07 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 1xeq h THR 61 CO -0.05 0.49 0.21 -0.74 0.37 0.00 0.00 175.52 175.79 1xeq h HIS 62 N 0.04 0.81 -0.91 3.16 -0.00 -0.72 -2.19 115.15 115.35 1xeq h HIS 62 Ca -0.01 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.29 1xeq h HIS 62 Cb 0.95 -0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 28.07 1xeq h HIS 62 CO 0.11 0.67 0.52 -0.91 -0.00 0.00 0.00 177.93 178.31 1xeq h ASN 63 N 0.72 1.12 0.53 3.26 2.35 -0.84 0.49 115.58 123.21 1xeq h ASN 63 Ca 0.18 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1xeq h ASN 63 Cb 0.20 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1xeq h ASN 63 CO -0.01 0.88 0.00 0.11 -1.65 0.00 0.00 177.43 176.76 1xeq h LYS 64 N 1.26 0.00 -0.24 0.81 1.57 -1.06 -2.04 116.57 116.87 1xeq h LYS 64 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1xeq h LYS 64 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1xeq h LYS 64 CO -0.06 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.25 1xeq n SER 65 N -2.83 2.29 -4.33 0.86 7.64 0.15 -4.98 113.62 112.43 1xeq n SER 65 Ca -0.00 -1.82 -0.18 0.00 1.01 0.00 0.00 58.87 57.88 1xeq n SER 65 Cb 0.19 -0.15 -0.10 0.00 -1.01 0.00 0.00 64.21 63.13 1xeq n SER 65 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1xeq s GLU 66 N -1.69 1.28 0.00 1.43 0.41 -0.77 -5.07 118.70 114.29 1xeq s GLU 66 Ca 0.34 -1.55 0.00 0.00 -0.41 0.00 0.00 54.97 53.35 1xeq s GLU 66 Cb 0.19 -1.05 0.00 0.00 -1.78 0.00 0.00 34.13 31.49 1xeq s GLU 66 CO 0.28 0.17 0.75 -2.30 -0.49 0.00 0.00 175.26 173.67 1xeq n PRO 67 N -0.31 0.00 0.00 0.39 -0.02 -1.26 -4.91 135.00 128.89 1xeq n PRO 67 Ca -0.09 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1xeq n PRO 67 Cb 0.60 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 1xeq n PRO 67 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1xeq n GLU 68 N -1.79 0.00 0.00 -0.52 4.07 -1.26 -4.88 120.64 116.26 1xeq n GLU 68 Ca 0.00 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.21 1xeq n GLU 68 Cb 0.00 0.00 0.58 0.00 -0.06 0.00 0.00 31.44 31.96 1xeq n GLU 68 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1xeq n ASN 69 N 0.00 0.00 -0.70 4.31 0.23 -1.26 -2.13 115.26 115.71 1xeq n ASN 69 Ca 0.00 -0.08 0.11 0.00 -0.53 0.00 0.00 54.58 54.08 1xeq n ASN 69 Cb 0.00 -0.27 0.05 0.00 -2.08 0.00 0.00 39.78 37.48 1xeq n ASN 69 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xeq n LYS 70 N -1.27 1.76 -2.68 -3.83 5.02 -1.26 -5.00 118.16 110.89 1xeq n LYS 70 Ca 0.11 -1.44 -0.37 0.00 -2.02 0.00 0.00 58.31 54.58 1xeq n LYS 70 Cb 0.18 -1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 1xeq n LYS 70 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1xeq s ARG 71 N -2.05 4.49 -0.12 1.97 0.52 -0.91 -5.01 118.95 117.84 1xeq s ARG 71 Ca 0.22 1.44 -0.09 0.00 -0.52 0.00 0.00 55.73 56.78 1xeq s ARG 71 Cb 0.18 -2.80 0.04 0.00 0.52 0.00 0.00 34.95 32.88 1xeq s ARG 71 CO 0.39 0.17 0.31 -1.64 0.02 0.00 0.00 175.30 174.55 1xeq s MET 72 N -2.06 0.32 0.95 3.54 -1.94 -1.26 -5.02 119.30 113.84 1xeq s MET 72 Ca 0.51 0.51 -0.13 0.00 -1.71 0.00 0.00 55.69 54.87 1xeq s MET 72 Cb -0.21 0.06 0.16 0.00 2.01 0.00 0.00 34.83 36.85 1xeq s MET 72 CO 0.27 -0.09 1.13 -1.54 -0.01 0.00 0.00 175.02 174.77 1xeq s SER 73 N 0.65 3.09 0.21 3.03 1.04 -1.26 -4.81 113.70 115.64 1xeq s SER 73 Ca -0.04 1.00 -0.09 0.00 0.48 0.00 0.00 55.95 57.29 1xeq s SER 73 Cb -0.05 -1.58 0.25 0.00 0.10 0.00 0.00 66.02 64.74 1xeq s SER 73 CO -0.04 -2.82 1.78 0.25 0.98 0.00 0.00 173.24 173.39 1xeq h LEU 74 N -1.68 0.42 -0.96 2.42 5.85 -1.98 -0.96 115.31 118.41 1xeq h LEU 74 Ca -0.52 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.15 1xeq h LEU 74 Cb 1.33 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1xeq h LEU 74 CO 0.59 0.26 -0.32 -0.33 -0.34 0.00 0.00 178.44 178.31 1xeq h GLU 75 N 0.57 0.37 -0.25 1.25 4.39 -1.99 0.13 114.58 119.04 1xeq h GLU 75 Ca 0.30 -0.15 -0.19 0.00 0.34 0.00 0.00 59.36 59.66 1xeq h GLU 75 Cb 0.26 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1xeq h GLU 75 CO -0.23 0.65 -0.59 0.93 -1.16 0.00 0.00 179.01 178.61 1xeq h GLU 76 N 0.32 0.84 -0.67 2.33 5.08 -1.82 -2.94 114.58 117.72 1xeq h GLU 76 Ca 0.04 -0.57 -0.06 0.00 -1.00 0.00 0.00 59.36 57.77 1xeq h GLU 76 Cb 0.72 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1xeq h GLU 76 CO 0.05 1.20 0.17 0.00 -1.00 0.00 0.00 179.01 179.43 1xeq h ARG 77 N 0.61 1.07 -0.81 2.33 3.08 -0.85 -2.00 114.38 117.81 1xeq h ARG 77 Ca -0.00 -0.25 0.12 0.00 0.07 0.00 0.00 59.98 59.92 1xeq h ARG 77 Cb 1.20 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 31.05 1xeq h ARG 77 CO 0.13 0.95 0.53 0.87 -1.07 0.00 0.00 179.97 181.38 1xeq h LYS 78 N 1.00 0.63 -0.36 0.04 1.57 -0.73 0.06 116.57 118.78 1xeq h LYS 78 Ca 0.21 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1xeq h LYS 78 Cb 0.35 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1xeq h LYS 78 CO 0.00 0.42 -0.11 0.00 -0.57 0.00 0.00 179.45 179.19 1xeq h ALA 79 N 1.61 0.50 -0.09 3.86 0.00 -1.20 -0.65 119.26 123.29 1xeq h ALA 79 Ca 0.39 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xeq h ALA 79 Cb 0.62 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1xeq h ALA 79 CO -0.16 0.37 0.06 0.82 0.00 0.00 0.00 179.25 180.35 1xeq h ILE 80 N 0.51 1.04 -0.88 0.00 2.04 -1.12 -2.70 117.51 116.39 1xeq h ILE 80 Ca 0.09 -0.09 0.15 0.00 1.00 0.00 0.00 64.86 66.01 1xeq h ILE 80 Cb 0.63 0.93 -0.09 0.00 -0.74 0.00 0.00 36.82 37.54 1xeq h ILE 80 CO 0.04 0.03 0.48 1.23 0.00 0.00 0.00 178.15 179.94 1xeq h GLY 81 N 0.11 1.45 1.74 5.37 0.00 -0.62 -1.55 103.07 109.58 1xeq h GLY 81 Ca 0.03 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 1xeq h GLY 81 CO -0.01 -0.01 -0.52 -2.08 0.00 0.00 0.00 176.54 173.93 1xeq h VAL 82 N 0.69 1.35 -0.24 4.60 2.07 -1.13 0.12 116.25 123.71 1xeq h VAL 82 Ca 0.48 -1.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 1xeq h VAL 82 Cb 0.65 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1xeq h VAL 82 CO -0.35 0.53 0.12 0.11 0.02 0.00 0.00 177.57 178.00 1xeq h LYS 83 N 0.22 0.34 -0.58 1.57 1.57 -1.07 -1.76 116.57 116.86 1xeq h LYS 83 Ca 0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xeq h LYS 83 Cb 0.99 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 1xeq h LYS 83 CO 0.08 0.34 0.35 0.52 -0.57 0.00 0.00 179.45 180.17 1xeq h MET 84 N 0.26 0.78 -0.73 3.15 2.86 -1.07 -2.85 114.93 117.32 1xeq h MET 84 Ca 0.08 -0.07 0.12 0.00 -2.06 0.00 0.00 59.70 57.78 1xeq h MET 84 Cb 0.10 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.55 1xeq h MET 84 CO -0.01 0.56 0.49 1.98 1.06 0.00 0.00 176.91 180.99 1xeq h MET 85 N 0.78 0.50 -0.76 1.72 -1.53 -0.51 -1.65 114.93 113.49 1xeq h MET 85 Ca 0.21 -0.03 -0.05 0.00 -3.44 0.00 0.00 59.70 56.39 1xeq h MET 85 Cb -0.03 -0.11 -0.03 0.00 -0.55 0.00 0.00 31.60 30.88 1xeq h MET 85 CO -0.04 0.33 0.27 -0.22 0.14 0.00 0.00 176.91 177.39 1xeq h LYS 86 N 0.52 1.15 -0.09 0.39 3.64 -1.09 0.11 116.57 121.20 1xeq h LYS 86 Ca 0.35 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1xeq h LYS 86 Cb 0.65 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1xeq h LYS 86 CO -0.12 0.96 -0.01 0.28 -2.27 0.00 0.00 179.45 178.29 1xeq h VAL 87 N 1.11 1.26 -0.61 2.00 2.07 -1.30 -3.10 116.25 117.67 1xeq h VAL 87 Ca 0.25 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1xeq h VAL 87 Cb 0.26 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1xeq h VAL 87 CO -0.01 0.24 0.23 -0.07 0.02 0.00 0.00 177.57 177.97 1xeq h LEU 88 N -0.12 0.86 -2.44 2.57 4.07 -1.06 -2.98 115.31 116.20 1xeq h LEU 88 Ca 0.03 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 57.80 1xeq h LEU 88 Cb 0.37 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 1xeq h LEU 88 CO 0.01 0.81 -0.02 -0.07 -1.08 0.00 0.00 178.44 178.08 1xeq h LEU 89 N 0.86 0.00 -2.24 1.67 3.38 -0.76 -2.89 115.31 115.33 1xeq h LEU 89 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1xeq h LEU 89 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xeq h LEU 89 CO -0.01 0.02 0.00 0.49 0.09 0.00 0.00 178.44 179.03 1xeq n PHE 90 N -3.27 0.22 -3.90 1.13 3.01 -1.16 -4.78 117.46 108.71 1xeq n PHE 90 Ca -0.02 -0.29 -0.30 0.00 1.01 0.00 0.00 57.45 57.85 1xeq n PHE 90 Cb 0.15 -0.02 -0.14 0.00 -0.01 0.00 0.00 39.48 39.46 1xeq n PHE 90 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1xeq s MET 91 N -0.90 1.57 -0.33 -1.08 -1.94 -1.09 -5.10 119.30 110.42 1xeq s MET 91 Ca 0.16 -2.13 -0.20 0.00 -1.71 0.00 0.00 55.69 51.81 1xeq s MET 91 Cb 0.09 -2.94 -0.00 0.00 2.01 0.00 0.00 34.83 33.98 1xeq s MET 91 CO 0.12 -1.06 0.60 0.34 -0.01 0.00 0.00 175.02 175.02 1xeq s ASP 92 N 0.36 6.43 0.00 3.03 2.15 -1.26 -4.87 116.67 122.51 1xeq s ASP 92 Ca 0.15 0.24 0.32 0.00 0.43 0.00 0.00 52.55 53.68 1xeq s ASP 92 Cb -0.23 -2.31 1.81 0.00 -0.30 0.00 0.00 42.92 41.89 1xeq s ASP 92 CO -0.05 -0.51 2.17 -0.81 -0.17 0.00 0.00 175.17 175.81