#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xzv n HIS 2 N 0.00 3.50 -3.63 3.52 -0.00 -1.26 -5.05 115.22 112.30 1xzv n HIS 2 Ca 0.00 -4.19 -0.39 0.00 -0.00 0.00 0.00 57.72 53.14 1xzv n HIS 2 Cb 0.00 -0.62 -0.11 0.00 -0.00 0.00 0.00 29.99 29.26 1xzv n HIS 2 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1xzv s LEU 3 N -2.07 4.24 0.84 0.27 2.96 -1.26 -5.07 118.68 118.59 1xzv s LEU 3 Ca 0.33 -0.55 -0.11 0.00 -0.22 0.00 0.00 54.13 53.59 1xzv s LEU 3 Cb 0.07 -2.03 0.10 0.00 0.50 0.00 0.00 46.19 44.83 1xzv s LEU 3 CO -0.07 -0.22 1.13 0.42 -1.32 0.00 0.00 176.35 176.29 1xzv s THR 4 N 1.63 2.61 0.26 3.68 -4.23 -1.26 -4.70 115.64 113.63 1xzv s THR 4 Ca 0.05 0.21 -0.03 0.00 -1.18 0.00 0.00 61.69 60.74 1xzv s THR 4 Cb -0.17 -2.47 0.24 0.00 1.34 0.00 0.00 72.50 71.44 1xzv s THR 4 CO 0.07 -0.25 1.84 1.55 -0.54 0.00 0.00 174.62 177.29 1xzv h PRO 5 N -1.40 0.93 0.00 3.99 0.13 -1.98 0.11 132.00 133.78 1xzv h PRO 5 Ca -0.44 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1xzv h PRO 5 Cb 1.26 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1xzv h PRO 5 CO 0.46 0.62 0.00 1.05 -0.23 0.00 0.00 178.00 179.90 1xzv h GLU 6 N 0.96 0.00 0.18 0.86 4.11 -1.99 0.42 114.58 119.12 1xzv h GLU 6 Ca 0.43 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.53 1xzv h GLU 6 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1xzv h GLU 6 CO -0.22 0.00 -1.57 0.93 0.07 0.00 0.00 179.01 178.21 1xzv h GLU 7 N 0.00 0.39 -0.04 1.06 5.08 -1.19 -2.92 114.58 116.96 1xzv h GLU 7 Ca 0.00 -0.66 -0.09 0.00 -1.00 0.00 0.00 59.36 57.60 1xzv h GLU 7 Cb 0.43 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1xzv h GLU 7 CO 0.00 1.29 -0.41 -0.22 -1.00 0.00 0.00 179.01 178.67 1xzv h LYS 8 N 0.11 0.08 0.05 2.33 3.64 -0.25 -0.79 116.57 121.73 1xzv h LYS 8 Ca -0.27 -0.03 -0.25 0.00 -1.27 0.00 0.00 60.65 58.82 1xzv h LYS 8 Cb 2.09 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.93 1xzv h LYS 8 CO 0.20 0.48 -1.02 0.66 -2.27 0.00 0.00 179.45 177.50 1xzv h SER 9 N 0.06 0.81 -0.54 4.20 4.64 -1.02 -2.64 113.55 119.06 1xzv h SER 9 Ca 0.00 -0.78 -0.05 0.00 -0.47 0.00 0.00 61.79 60.49 1xzv h SER 9 Cb 0.76 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 1xzv h SER 9 CO 0.06 1.50 0.15 0.00 -0.87 0.00 0.00 176.83 177.67 1xzv h ALA 10 N 0.33 1.16 -0.06 5.18 0.00 -1.34 0.33 119.26 124.85 1xzv h ALA 10 Ca -0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1xzv h ALA 10 Cb 1.70 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1xzv h ALA 10 CO 0.20 0.57 0.00 0.28 0.00 0.00 0.00 179.25 180.30 1xzv h VAL 11 N 0.87 1.25 -0.44 0.00 2.07 -1.15 -2.88 116.25 115.97 1xzv h VAL 11 Ca 0.19 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1xzv h VAL 11 Cb 0.31 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1xzv h VAL 11 CO -0.00 0.21 0.29 0.74 0.02 0.00 0.00 177.57 178.83 1xzv h THR 12 N -0.18 1.12 0.17 2.57 2.02 -1.27 0.10 112.91 117.43 1xzv h THR 12 Ca 0.02 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1xzv h THR 12 Cb 0.33 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1xzv h THR 12 CO 0.00 0.12 -0.17 0.00 0.37 0.00 0.00 175.52 175.84 1xzv h ALA 13 N 1.15 -0.34 -0.38 6.16 0.00 -0.35 -2.56 119.26 122.95 1xzv h ALA 13 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1xzv h ALA 13 Cb -0.05 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1xzv h ALA 13 CO -0.03 -0.71 0.13 1.25 0.00 0.00 0.00 179.25 179.88 1xzv h LEU 14 N -0.37 0.54 -2.44 0.00 5.85 -1.43 -2.37 115.31 115.10 1xzv h LEU 14 Ca 0.00 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1xzv h LEU 14 Cb 0.35 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1xzv h LEU 14 CO -0.05 0.59 0.17 -0.25 -0.34 0.00 0.00 178.44 178.56 1xzv h TRP 15 N 0.46 0.00 0.00 1.25 2.91 -0.80 0.10 115.95 119.87 1xzv h TRP 15 Ca 0.12 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.10 1xzv h TRP 15 Cb 0.23 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 1xzv h TRP 15 CO 0.01 0.00 -0.21 0.78 -1.03 0.00 0.00 178.44 177.99 1xzv h GLY 16 N 0.00 0.00 1.27 2.65 0.00 -1.01 -2.75 103.07 103.23 1xzv h GLY 16 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1xzv h GLY 16 CO -0.00 0.00 -0.47 0.28 0.00 0.00 0.00 176.54 176.35 1xzv n LYS 17 N -3.86 0.16 -2.67 4.80 5.02 0.36 -4.92 118.16 117.05 1xzv n LYS 17 Ca -0.02 0.06 -0.40 0.00 -2.02 0.00 0.00 58.31 55.93 1xzv n LYS 17 Cb 0.30 -1.62 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 1xzv n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xzv s VAL 18 N -3.09 4.02 -0.76 -0.18 1.01 -1.04 -5.01 120.40 115.34 1xzv s VAL 18 Ca 0.09 1.93 -0.16 0.00 0.00 0.00 0.00 61.98 63.84 1xzv s VAL 18 Cb 0.15 -4.23 0.17 0.00 0.00 0.00 0.00 36.38 32.47 1xzv s VAL 18 CO 0.68 0.42 0.78 0.21 0.00 0.00 0.00 175.10 177.19 1xzv s ASN 19 N -0.82 6.56 0.43 3.32 3.84 -1.26 -4.93 114.94 122.07 1xzv s ASN 19 Ca 0.43 -2.25 0.13 0.00 0.21 0.00 0.00 52.86 51.39 1xzv s ASN 19 Cb -0.27 -2.26 0.99 0.00 -0.55 0.00 0.00 41.25 39.17 1xzv s ASN 19 CO 0.34 -0.79 1.98 -0.37 -2.79 0.00 0.00 177.10 175.47 1xzv h VAL 20 N 5.31 0.92 0.51 -5.21 -1.51 -1.95 0.29 116.25 114.61 1xzv h VAL 20 Ca -0.01 -0.15 -0.02 0.00 -1.23 0.00 0.00 66.70 65.29 1xzv h VAL 20 Cb 1.05 0.43 -0.00 0.00 -2.13 0.00 0.00 31.29 30.64 1xzv h VAL 20 CO 0.91 0.08 -0.30 0.44 -1.23 0.00 0.00 177.57 177.48 1xzv h ASP 21 N 0.45 -0.74 0.25 4.19 3.32 -1.92 -0.53 116.42 121.43 1xzv h ASP 21 Ca 0.28 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 1xzv h ASP 21 Cb 0.49 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1xzv h ASP 21 CO -0.08 -0.48 -0.12 -0.08 -1.72 0.00 0.00 179.24 176.77 1xzv h GLU 22 N -0.76 -0.32 -0.40 3.56 4.81 -1.71 -2.80 114.58 116.97 1xzv h GLU 22 Ca -0.06 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1xzv h GLU 22 Cb 0.62 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1xzv h GLU 22 CO 0.07 -0.01 0.25 0.28 -0.73 0.00 0.00 179.01 178.88 1xzv h VAL 23 N -0.64 1.11 0.23 0.32 2.07 -0.52 -2.16 116.25 116.66 1xzv h VAL 23 Ca -0.03 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1xzv h VAL 23 Cb 0.46 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1xzv h VAL 23 CO 0.06 0.11 -0.19 1.23 0.02 0.00 0.00 177.57 178.80 1xzv h GLY 24 N 0.55 -0.43 1.00 2.17 0.00 -1.06 -0.12 103.07 105.18 1xzv h GLY 24 Ca 0.14 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 1xzv h GLY 24 CO -0.03 -0.18 0.33 -1.33 0.00 0.00 0.00 176.54 175.32 1xzv h GLY 25 N -0.43 0.98 0.89 4.60 0.00 -1.21 -2.08 103.07 105.82 1xzv h GLY 25 Ca -0.01 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1xzv h GLY 25 CO -0.01 0.45 0.05 0.83 0.00 0.00 0.00 176.54 177.85 1xzv h GLU 26 N 0.88 0.16 -0.20 4.80 4.39 -1.20 -0.55 114.58 122.86 1xzv h GLU 26 Ca 0.22 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1xzv h GLU 26 Cb 0.09 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1xzv h GLU 26 CO -0.03 0.24 0.03 0.00 -1.16 0.00 0.00 179.01 178.09 1xzv h ALA 27 N 0.92 0.27 -0.47 3.43 0.00 -0.94 -1.04 119.26 121.43 1xzv h ALA 27 Ca 0.04 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1xzv h ALA 27 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xzv h ALA 27 CO -0.00 -0.05 0.02 1.25 0.00 0.00 0.00 179.25 180.46 1xzv h LEU 28 N 0.14 0.80 0.19 0.00 5.85 -1.40 -1.39 115.31 119.50 1xzv h LEU 28 Ca 0.06 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1xzv h LEU 28 Cb 0.32 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1xzv h LEU 28 CO 0.00 0.90 -0.09 1.23 -0.34 0.00 0.00 178.44 180.14 1xzv h GLY 29 N 0.67 -0.27 0.78 3.75 0.00 -1.06 -2.42 103.07 104.54 1xzv h GLY 29 Ca 0.14 0.10 0.09 0.00 0.00 0.00 0.00 47.33 47.66 1xzv h GLY 29 CO 0.02 -0.10 0.56 3.21 0.00 0.00 0.00 176.54 180.23 1xzv h ARG 30 N -0.27 0.82 -0.21 4.80 3.08 -1.15 -1.89 114.38 119.56 1xzv h ARG 30 Ca -0.03 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1xzv h ARG 30 Cb 0.21 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1xzv h ARG 30 CO 0.04 0.54 0.13 1.25 -1.07 0.00 0.00 179.97 180.87 1xzv h LEU 31 N 0.85 0.25 -1.56 3.04 5.85 -0.86 0.37 115.31 123.25 1xzv h LEU 31 Ca 0.39 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.05 1xzv h LEU 31 Cb 0.39 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1xzv h LEU 31 CO -0.16 0.21 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.96 1xzv h LEU 32 N 0.27 0.00 0.00 2.25 3.38 -0.91 -1.92 115.31 118.39 1xzv h LEU 32 Ca 0.08 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1xzv h LEU 32 Cb 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1xzv h LEU 32 CO -0.01 0.13 -0.98 0.58 0.09 0.00 0.00 178.44 178.24 1xzv h VAL 33 N 0.00 1.12 -0.08 1.22 2.07 -0.87 -3.27 116.25 116.44 1xzv h VAL 33 Ca -0.00 -2.22 -0.17 0.00 0.82 0.00 0.00 66.70 65.13 1xzv h VAL 33 Cb 0.52 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1xzv h VAL 33 CO 0.02 0.39 -0.67 0.58 0.02 0.00 0.00 177.57 177.91 1xzv h VAL 34 N -0.97 1.38 -2.36 2.57 2.07 -0.24 -3.36 116.25 115.34 1xzv h VAL 34 Ca -0.27 -2.07 -0.59 0.00 0.82 0.00 0.00 66.70 64.59 1xzv h VAL 34 Cb 1.25 2.05 -0.41 0.00 -1.52 0.00 0.00 31.29 32.67 1xzv h VAL 34 CO -0.15 0.62 -0.75 -1.22 0.02 0.00 0.00 177.57 176.08 1xzv n TYR 35 N -3.85 2.11 0.27 1.57 4.01 -0.73 -4.96 117.16 115.58 1xzv n TYR 35 Ca -0.03 -3.96 0.14 0.00 -0.16 0.00 0.00 57.90 53.89 1xzv n TYR 35 Cb 0.67 -0.43 0.73 0.00 -0.31 0.00 0.00 39.34 40.00 1xzv n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1xzv h PRO 36 N 4.56 0.00 0.00 -0.72 0.13 -1.72 0.78 132.00 135.04 1xzv h PRO 36 Ca 0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.26 1xzv h PRO 36 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 1xzv h PRO 36 CO 0.67 0.00 -0.17 0.11 -0.23 0.00 0.00 178.00 178.38 1xzv h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -2.05 115.95 113.64 1xzv h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1xzv h TRP 37 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.72 1xzv h TRP 37 CO 0.00 0.17 0.00 0.25 0.09 0.00 0.00 178.44 178.95 1xzv n THR 38 N -3.83 1.09 0.31 0.12 -2.24 0.27 -1.94 114.28 108.07 1xzv n THR 38 Ca -0.02 0.50 0.15 0.00 -2.27 0.00 0.00 64.05 62.41 1xzv n THR 38 Cb 0.27 -1.45 0.68 0.00 -2.10 0.00 0.00 70.33 67.74 1xzv n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1xzv h GLN 39 N 0.00 0.00 -0.77 -0.78 4.20 -1.56 -3.12 115.11 113.08 1xzv h GLN 39 Ca 0.00 0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.93 1xzv h GLN 39 Cb 0.14 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1xzv h GLN 39 CO 0.00 0.00 0.65 0.07 -0.67 0.00 0.00 178.83 178.88 1xzv h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.60 0.14 114.38 114.49 1xzv h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1xzv h ARG 40 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 1xzv h ARG 40 CO 0.00 0.00 -0.41 1.19 0.10 0.00 0.00 179.97 180.85 1xzv n PHE 41 N -3.98 0.02 -2.25 4.08 3.01 -1.18 -4.37 117.46 112.78 1xzv n PHE 41 Ca 0.16 0.01 -0.26 0.00 1.01 0.00 0.00 57.45 58.37 1xzv n PHE 41 Cb 0.92 -0.31 0.01 0.00 -0.01 0.00 0.00 39.48 40.09 1xzv n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1xzv n PHE 42 N -1.52 3.09 0.43 1.38 3.01 0.49 -4.80 117.46 119.54 1xzv n PHE 42 Ca 0.06 -2.68 0.12 0.00 1.01 0.00 0.00 57.45 55.96 1xzv n PHE 42 Cb 0.34 -0.21 0.49 0.00 -0.01 0.00 0.00 39.48 40.09 1xzv n PHE 42 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1xzv h GLU 43 N 2.38 0.00 -0.01 -1.08 4.11 -1.76 -2.29 114.58 115.93 1xzv h GLU 43 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.76 1xzv h GLU 43 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1xzv h GLU 43 CO 0.81 0.00 -0.06 -1.13 0.07 0.00 0.00 179.01 178.70 1xzv n SER 44 N -2.30 1.12 0.06 3.06 3.41 -1.26 -3.77 113.62 113.93 1xzv n SER 44 Ca 0.03 -1.23 0.13 0.00 -0.26 0.00 0.00 58.87 57.54 1xzv n SER 44 Cb 0.27 0.02 0.42 0.00 -0.26 0.00 0.00 64.21 64.66 1xzv n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xzv n PHE 45 N -0.24 0.50 -0.79 7.33 0.99 -0.86 -5.04 117.46 119.35 1xzv n PHE 45 Ca 0.18 0.15 0.00 0.00 -0.00 0.00 0.00 57.45 57.78 1xzv n PHE 45 Cb 0.32 -0.70 0.00 0.00 -1.00 0.00 0.00 39.48 38.09 1xzv n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xzv n GLY 46 N 1.39 0.76 3.64 1.37 0.00 -1.25 -4.82 105.19 106.28 1xzv n GLY 46 Ca 0.06 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 1xzv n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xzv s ASP 47 N -4.00 6.54 -0.04 1.61 3.68 -1.26 -4.83 116.67 118.37 1xzv s ASP 47 Ca 0.00 1.66 0.06 0.00 2.13 0.00 0.00 52.55 56.41 1xzv s ASP 47 Cb 0.00 -2.53 0.10 0.00 -1.45 0.00 0.00 42.92 39.03 1xzv s ASP 47 CO 0.00 -1.11 0.98 0.18 0.13 0.00 0.00 175.17 175.35 1xzv n LEU 48 N 7.87 1.02 0.13 -1.34 4.77 -1.26 -4.26 117.00 123.93 1xzv n LEU 48 Ca 0.17 -1.68 0.07 0.00 -0.03 0.00 0.00 56.01 54.55 1xzv n LEU 48 Cb 0.45 -0.15 0.56 0.00 -2.33 0.00 0.00 43.42 41.95 1xzv n LEU 48 CO 0.63 0.40 1.12 0.77 -1.33 0.00 0.00 177.39 178.97 1xzv h SER 49 N 0.00 0.19 -5.18 -1.43 4.64 -1.91 -3.43 113.55 106.43 1xzv h SER 49 Ca 0.00 -0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.01 1xzv h SER 49 Cb 1.11 -0.05 -0.15 0.00 -0.31 0.00 0.00 62.40 63.01 1xzv h SER 49 CO 0.00 0.14 -0.61 0.42 -0.87 0.00 0.00 176.83 175.91 1xzv s THR 50 N -5.24 0.21 0.20 2.95 -4.23 -1.26 -5.01 115.64 103.26 1xzv s THR 50 Ca -0.06 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.34 1xzv s THR 50 Cb 0.17 -2.54 0.13 0.00 1.34 0.00 0.00 72.50 71.60 1xzv s THR 50 CO 0.70 0.00 1.82 -0.65 -0.54 0.00 0.00 174.62 175.95 1xzv h PRO 51 N 2.48 0.68 -0.43 3.99 0.11 -1.99 -1.04 132.00 135.81 1xzv h PRO 51 Ca -0.36 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 1xzv h PRO 51 Cb 1.25 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1xzv h PRO 51 CO 0.55 0.45 -0.07 -0.44 -0.21 0.00 0.00 178.00 178.27 1xzv h ASP 52 N 0.70 0.72 -0.90 -2.05 3.32 -1.97 0.20 116.42 116.43 1xzv h ASP 52 Ca 0.28 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1xzv h ASP 52 Cb 0.12 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1xzv h ASP 52 CO -0.15 0.83 0.52 0.00 -1.72 0.00 0.00 179.24 178.72 1xzv h ALA 53 N 1.24 1.20 0.20 3.45 0.00 -1.66 -1.50 119.26 122.20 1xzv h ALA 53 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xzv h ALA 53 Cb 0.52 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xzv h ALA 53 CO 0.03 0.66 -0.10 0.28 0.00 0.00 0.00 179.25 180.12 1xzv h VAL 54 N 1.26 0.05 -0.78 0.00 2.07 -0.73 -2.97 116.25 115.15 1xzv h VAL 54 Ca 0.32 -0.83 0.15 0.00 0.82 0.00 0.00 66.70 67.16 1xzv h VAL 54 Cb -0.01 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 29.80 1xzv h VAL 54 CO -0.06 0.02 0.52 0.24 0.02 0.00 0.00 177.57 178.31 1xzv h MET 55 N -1.07 0.44 -0.01 1.57 2.07 -0.63 -2.81 114.93 114.50 1xzv h MET 55 Ca -0.03 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1xzv h MET 55 Cb 0.23 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 29.86 1xzv h MET 55 CO 0.05 0.29 -0.52 0.41 1.07 0.00 0.00 176.91 178.21 1xzv n GLY 56 N -1.51 -0.30 3.64 8.32 0.00 -0.57 -4.85 105.19 109.92 1xzv n GLY 56 Ca 0.15 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1xzv n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xzv n ASN 57 N -0.43 3.82 -0.09 1.61 2.85 -1.06 -4.89 115.26 117.07 1xzv n ASN 57 Ca 0.09 0.67 0.13 0.00 -0.11 0.00 0.00 54.58 55.36 1xzv n ASN 57 Cb 0.42 -1.53 0.51 0.00 1.24 0.00 0.00 39.78 40.43 1xzv n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1xzv h PRO 58 N 12.01 0.38 -0.36 1.20 0.13 -1.91 -1.59 132.00 141.86 1xzv h PRO 58 Ca -0.47 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 1xzv h PRO 58 Cb 1.24 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1xzv h PRO 58 CO 0.95 0.25 -0.38 0.87 -0.23 0.00 0.00 178.00 179.45 1xzv h LYS 59 N 0.39 0.89 -0.64 0.86 1.57 -1.90 -2.36 116.57 115.38 1xzv h LYS 59 Ca 0.29 -0.48 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1xzv h LYS 59 Cb 0.62 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1xzv h LYS 59 CO -0.08 1.13 0.12 0.28 -0.57 0.00 0.00 179.45 180.33 1xzv h VAL 60 N 0.69 1.25 -0.36 0.50 2.07 -1.63 -1.11 116.25 117.67 1xzv h VAL 60 Ca 0.05 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1xzv h VAL 60 Cb 0.98 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1xzv h VAL 60 CO 0.09 0.37 0.09 0.11 0.02 0.00 0.00 177.57 178.25 1xzv h LYS 61 N 0.97 0.57 -0.38 1.57 1.57 -1.27 0.26 116.57 119.85 1xzv h LYS 61 Ca 0.20 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1xzv h LYS 61 Cb 0.39 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1xzv h LYS 61 CO 0.01 0.61 0.05 0.00 -0.57 0.00 0.00 179.45 179.54 1xzv h ALA 62 N 0.94 0.51 -0.29 3.86 0.00 -1.33 -2.38 119.26 120.56 1xzv h ALA 62 Ca 0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1xzv h ALA 62 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1xzv h ALA 62 CO -0.00 0.23 0.02 1.25 0.00 0.00 0.00 179.25 180.75 1xzv h HIS 63 N 0.48 0.53 -0.93 0.00 -0.00 -1.13 -2.49 115.15 111.61 1xzv h HIS 63 Ca 0.11 -0.08 0.11 0.00 -0.00 0.00 0.00 60.37 60.52 1xzv h HIS 63 Cb 0.38 -0.14 -0.07 0.00 -0.00 0.00 0.00 27.41 27.58 1xzv h HIS 63 CO 0.03 0.62 0.59 0.78 -0.00 0.00 0.00 177.93 179.95 1xzv h GLY 64 N 0.30 1.38 1.40 5.26 0.00 -0.88 0.08 103.07 110.60 1xzv h GLY 64 Ca 0.08 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 1xzv h GLY 64 CO 0.01 0.17 -0.37 1.70 0.00 0.00 0.00 176.54 178.05 1xzv h LYS 65 N 0.88 0.66 0.28 4.80 3.64 -1.26 -0.96 116.57 124.61 1xzv h LYS 65 Ca 0.45 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1xzv h LYS 65 Cb 0.50 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1xzv h LYS 65 CO -0.21 0.93 -0.14 -0.22 -2.27 0.00 0.00 179.45 177.54 1xzv h LYS 66 N 0.55 -0.36 -0.12 1.90 3.64 -0.68 -0.04 116.57 121.46 1xzv h LYS 66 Ca 0.05 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1xzv h LYS 66 Cb 0.88 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1xzv h LYS 66 CO 0.08 -0.07 -0.08 0.28 -2.27 0.00 0.00 179.45 177.39 1xzv h VAL 67 N -0.65 0.76 0.00 2.00 2.07 -1.03 -1.66 116.25 117.74 1xzv h VAL 67 Ca -0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1xzv h VAL 67 Cb 0.46 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1xzv h VAL 67 CO 0.06 0.00 -0.21 -0.07 0.02 0.00 0.00 177.57 177.37 1xzv h LEU 68 N -0.08 0.00 -0.20 2.57 3.38 -1.17 -1.21 115.31 118.60 1xzv h LEU 68 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1xzv h LEU 68 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xzv h LEU 68 CO -0.17 0.21 0.03 1.23 0.09 0.00 0.00 178.44 179.84 1xzv h GLY 69 N 1.32 0.36 1.38 0.83 0.00 -0.12 0.81 103.07 107.65 1xzv h GLY 69 Ca -0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1xzv h GLY 69 CO 0.03 0.22 0.19 0.00 0.00 0.00 0.00 176.54 176.98 1xzv h ALA 70 N 0.83 1.31 -0.35 3.60 0.00 -0.97 -2.16 119.26 121.52 1xzv h ALA 70 Ca 0.06 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1xzv h ALA 70 Cb 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1xzv h ALA 70 CO 0.00 0.50 -0.27 0.35 0.00 0.00 0.00 179.25 179.83 1xzv h PHE 71 N 0.78 0.96 -0.68 0.00 3.57 -0.94 -2.69 116.94 117.93 1xzv h PHE 71 Ca 0.18 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 1xzv h PHE 71 Cb 0.20 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1xzv h PHE 71 CO 0.01 1.04 0.37 0.77 -2.23 0.00 0.00 178.31 178.27 1xzv h SER 72 N 0.60 0.84 -0.58 0.41 0.02 -0.42 -1.11 113.55 113.31 1xzv h SER 72 Ca 0.07 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1xzv h SER 72 Cb 0.84 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 1xzv h SER 72 CO 0.07 0.69 0.22 0.44 -1.14 0.00 0.00 176.83 177.10 1xzv h ASP 73 N 0.95 0.85 -0.96 3.07 5.19 -1.24 -2.02 116.42 122.27 1xzv h ASP 73 Ca 0.24 -0.13 0.08 0.00 -0.62 0.00 0.00 57.03 56.60 1xzv h ASP 73 Cb 0.03 -0.22 -0.07 0.00 0.18 0.00 0.00 39.33 39.25 1xzv h ASP 73 CO -0.04 0.79 0.62 1.23 -3.12 0.00 0.00 179.24 178.72 1xzv h GLY 74 N 1.01 1.46 2.00 2.75 0.00 -0.90 -1.41 103.07 107.99 1xzv h GLY 74 Ca 0.21 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1xzv h GLY 74 CO -0.01 0.27 0.00 1.41 0.00 0.00 0.00 176.54 178.21 1xzv h LEU 75 N 1.06 0.00 -1.34 3.11 3.38 -0.63 -1.87 115.31 119.03 1xzv h LEU 75 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1xzv h LEU 75 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1xzv h LEU 75 CO -0.18 0.00 -0.26 0.00 0.09 0.00 0.00 178.44 178.08 1xzv n ALA 76 N -1.84 3.08 -2.59 1.53 0.00 -0.53 -4.26 120.51 115.89 1xzv n ALA 76 Ca -0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 53.44 52.70 1xzv n ALA 76 Cb 0.13 -0.83 0.04 0.00 0.00 0.00 0.00 19.45 18.79 1xzv n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xzv n HIS 77 N 0.49 1.75 0.09 0.00 8.25 -0.72 -4.88 115.22 120.20 1xzv n HIS 77 Ca 0.12 -2.35 0.06 0.00 -0.26 0.00 0.00 57.72 55.28 1xzv n HIS 77 Cb 0.51 -0.27 0.30 0.00 1.12 0.00 0.00 29.99 31.65 1xzv n HIS 77 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1xzv n LEU 78 N -0.52 0.29 0.02 2.41 7.94 -1.14 -0.38 117.00 125.62 1xzv n LEU 78 Ca 0.18 0.62 -0.07 0.00 -1.11 0.00 0.00 56.01 55.64 1xzv n LEU 78 Cb 0.83 -0.65 -0.12 0.00 0.53 0.00 0.00 43.42 44.01 1xzv n LEU 78 CO 0.20 -0.72 -0.21 -0.78 -1.11 0.00 0.00 177.39 174.78 1xzv h ASP 79 N 0.00 0.00 -1.79 1.96 -0.00 -1.89 -3.42 116.42 111.28 1xzv h ASP 79 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.03 56.51 1xzv h ASP 79 Cb 0.05 0.00 -0.36 0.00 -0.00 0.00 0.00 39.33 39.02 1xzv h ASP 79 CO 0.00 0.93 -1.05 -3.20 -0.00 0.00 0.00 179.24 175.92 1xzv n ASN 80 N -3.15 -0.14 -0.07 2.28 5.15 0.49 -4.96 115.26 114.86 1xzv n ASN 80 Ca -0.09 -2.76 -0.13 0.00 -0.60 0.00 0.00 54.58 51.00 1xzv n ASN 80 Cb 0.97 -0.38 -0.06 0.00 -0.53 0.00 0.00 39.78 39.78 1xzv n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1xzv h LEU 81 N 3.99 0.53 -0.83 1.20 3.38 -1.78 -0.81 115.31 120.98 1xzv h LEU 81 Ca 0.05 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.56 1xzv h LEU 81 Cb 0.90 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 1xzv h LEU 81 CO 0.45 0.91 0.54 0.11 0.09 0.00 0.00 178.44 180.53 1xzv h LYS 82 N 0.17 1.02 0.46 1.13 1.57 -1.91 0.25 116.57 119.26 1xzv h LYS 82 Ca 0.03 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1xzv h LYS 82 Cb 0.76 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1xzv h LYS 82 CO 0.05 0.67 -0.22 0.78 -0.57 0.00 0.00 179.45 180.16 1xzv h GLY 83 N 1.05 -0.65 0.07 3.86 0.00 -1.92 -2.30 103.07 103.18 1xzv h GLY 83 Ca 0.33 0.24 0.11 0.00 0.00 0.00 0.00 47.33 48.01 1xzv h GLY 83 CO -0.11 -0.24 0.01 -0.84 0.00 0.00 0.00 176.54 175.37 1xzv h THR 84 N -0.75 0.56 -0.18 4.70 2.02 -0.69 -2.91 112.91 115.66 1xzv h THR 84 Ca -0.06 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1xzv h THR 84 Cb 0.54 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1xzv h THR 84 CO 0.10 0.02 0.00 0.49 0.37 0.00 0.00 175.52 176.51 1xzv n PHE 85 N -5.24 0.23 -0.11 3.16 3.01 0.85 -4.61 117.46 114.75 1xzv n PHE 85 Ca 0.07 -0.11 -0.05 0.00 1.01 0.00 0.00 57.45 58.37 1xzv n PHE 85 Cb 0.31 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.80 1xzv n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xzv h ALA 86 N 4.13 0.39 -0.13 4.37 0.00 -1.20 0.45 119.26 127.27 1xzv h ALA 86 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1xzv h ALA 86 Cb 0.55 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1xzv h ALA 86 CO 0.00 -0.33 -0.43 1.79 0.00 0.00 0.00 179.25 180.27 1xzv h THR 87 N 0.19 1.32 -0.36 0.00 1.35 -1.83 -1.53 112.91 112.05 1xzv h THR 87 Ca 0.18 -1.59 -0.11 0.00 -0.55 0.00 0.00 66.41 64.34 1xzv h THR 87 Cb 0.20 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 1xzv h THR 87 CO -0.23 0.48 -0.18 0.25 -0.25 0.00 0.00 175.52 175.58 1xzv h LEU 88 N 0.26 0.79 -0.43 3.87 5.85 -1.76 -1.15 115.31 122.74 1xzv h LEU 88 Ca 0.02 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.34 1xzv h LEU 88 Cb 0.87 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1xzv h LEU 88 CO 0.07 1.02 0.27 -1.28 -0.34 0.00 0.00 178.44 178.18 1xzv h SER 89 N 0.55 0.45 -0.51 1.25 0.87 0.12 -1.03 113.55 115.26 1xzv h SER 89 Ca 0.08 -0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1xzv h SER 89 Cb 0.73 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.55 1xzv h SER 89 CO 0.05 0.32 0.29 -0.33 -0.53 0.00 0.00 176.83 176.64 1xzv h GLU 90 N 0.54 0.56 -0.18 2.24 5.08 -1.10 -2.43 114.58 119.29 1xzv h GLU 90 Ca 0.16 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1xzv h GLU 90 Cb -0.03 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1xzv h GLU 90 CO -0.06 0.37 0.11 1.25 -1.00 0.00 0.00 179.01 179.68 1xzv h LEU 91 N 0.58 0.22 -1.16 1.33 5.85 -0.81 -0.56 115.31 120.75 1xzv h LEU 91 Ca 0.21 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1xzv h LEU 91 Cb 0.05 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1xzv h LEU 91 CO -0.11 0.21 0.41 0.45 -0.34 0.00 0.00 178.44 179.07 1xzv h HIS 92 N 0.21 0.96 0.10 1.25 3.86 -1.04 0.69 115.15 121.18 1xzv h HIS 92 Ca 0.06 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1xzv h HIS 92 Cb 0.04 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.19 1xzv h HIS 92 CO -0.05 0.66 -0.05 0.00 0.86 0.00 0.00 177.93 179.35 1xzv h ASP 94 N -0.34 0.39 0.00 0.00 3.32 -1.14 -2.76 116.42 115.89 1xzv h ASP 94 Ca -0.01 -0.20 -0.38 0.00 0.02 0.00 0.00 57.03 56.46 1xzv h ASP 94 Cb 0.10 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 1xzv h ASP 94 CO 0.02 0.85 -2.27 0.29 -1.72 0.00 0.00 179.24 176.41 1xzv n LYS 95 N -3.94 0.49 0.06 3.56 4.01 0.11 -4.73 118.16 117.71 1xzv n LYS 95 Ca -0.02 0.20 -0.10 0.00 -0.51 0.00 0.00 58.31 57.88 1xzv n LYS 95 Cb 0.57 -1.32 -0.13 0.00 -0.51 0.00 0.00 35.03 33.64 1xzv n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1xzv h LEU 96 N -0.72 0.14 -1.37 -0.35 3.38 -1.25 -3.49 115.31 111.65 1xzv h LEU 96 Ca -0.57 -0.17 -0.35 0.00 0.09 0.00 0.00 57.88 56.88 1xzv h LEU 96 Cb 1.53 -0.05 0.16 0.00 0.09 0.00 0.00 40.66 42.39 1xzv h LEU 96 CO -0.32 1.13 -0.74 1.41 0.09 0.00 0.00 178.44 180.01 1xzv n HIS 97 N -3.38 -2.43 -3.25 1.13 8.25 0.18 -4.98 115.22 110.74 1xzv n HIS 97 Ca -0.05 0.97 -0.42 0.00 -0.26 0.00 0.00 57.72 57.96 1xzv n HIS 97 Cb 0.98 -5.07 -0.08 0.00 1.12 0.00 0.00 29.99 26.94 1xzv n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1xzv s VAL 98 N -3.35 5.02 0.09 1.59 1.01 -0.40 -5.02 120.40 119.34 1xzv s VAL 98 Ca 0.20 0.25 -0.34 0.00 0.00 0.00 0.00 61.98 62.09 1xzv s VAL 98 Cb -0.09 -3.98 -0.13 0.00 0.00 0.00 0.00 36.38 32.17 1xzv s VAL 98 CO 0.73 -0.25 1.64 -0.67 0.00 0.00 0.00 175.10 176.55 1xzv n ASP 99 N 5.75 3.10 0.34 3.32 4.64 -1.26 -4.72 116.55 127.72 1xzv n ASP 99 Ca -0.05 1.06 0.21 0.00 -1.38 0.00 0.00 54.79 54.63 1xzv n ASP 99 Cb 0.49 -1.40 1.12 0.00 -1.04 0.00 0.00 41.12 40.28 1xzv n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1xzv h PRO 100 N 6.68 0.00 -0.07 -0.67 0.11 -1.96 -2.13 132.00 133.96 1xzv h PRO 100 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xzv h PRO 100 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1xzv h PRO 100 CO 0.90 0.00 0.04 1.49 -0.21 0.00 0.00 178.00 180.22 1xzv h GLU 101 N 0.00 0.08 -1.00 1.05 4.57 -1.98 -1.22 114.58 116.08 1xzv h GLU 101 Ca 0.00 -0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.30 1xzv h GLU 101 Cb 0.18 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.67 1xzv h GLU 101 CO 0.00 0.05 0.63 -0.91 -1.18 0.00 0.00 179.01 177.60 1xzv h ASN 102 N 0.08 0.91 -0.03 1.04 -0.26 -1.76 0.67 115.58 116.23 1xzv h ASN 102 Ca 0.03 0.05 -0.07 0.00 -0.56 0.00 0.00 56.30 55.75 1xzv h ASN 102 Cb 0.01 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 1xzv h ASN 102 CO -0.00 0.47 -0.17 -0.26 -1.06 0.00 0.00 177.43 176.40 1xzv h PHE 103 N 0.97 0.40 0.01 1.19 0.04 -1.41 -0.07 116.94 118.07 1xzv h PHE 103 Ca 0.50 -0.06 -0.23 0.00 2.80 0.00 0.00 57.97 60.98 1xzv h PHE 103 Cb 0.53 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 38.58 1xzv h PHE 103 CO -0.01 0.54 -0.97 0.00 -0.60 0.00 0.00 178.31 177.27 1xzv h ARG 104 N 0.34 0.44 -0.06 1.51 3.08 -0.89 -2.15 114.38 116.65 1xzv h ARG 104 Ca 0.06 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1xzv h ARG 104 Cb 0.51 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 1xzv h ARG 104 CO 0.03 1.14 0.04 -0.07 -1.07 0.00 0.00 179.97 180.05 1xzv h LEU 105 N 0.25 0.07 -1.13 3.04 3.38 -0.88 -1.38 115.31 118.66 1xzv h LEU 105 Ca -0.09 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1xzv h LEU 105 Cb 1.61 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.30 1xzv h LEU 105 CO 0.17 0.07 0.58 0.25 0.09 0.00 0.00 178.44 179.60 1xzv h LEU 106 N 0.07 1.02 -0.41 1.67 5.85 -1.04 -0.69 115.31 121.77 1xzv h LEU 106 Ca 0.02 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1xzv h LEU 106 Cb 0.01 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1xzv h LEU 106 CO -0.00 0.74 0.20 1.23 -0.34 0.00 0.00 178.44 180.26 1xzv h GLY 107 N 1.20 0.56 1.04 3.75 0.00 -0.73 0.55 103.07 109.44 1xzv h GLY 107 Ca 0.32 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 1xzv h GLY 107 CO -0.07 0.09 0.09 3.43 0.00 0.00 0.00 176.54 180.08 1xzv h ASN 108 N 0.40 0.96 -0.28 0.19 2.35 -0.64 -2.29 115.58 116.28 1xzv h ASN 108 Ca 0.18 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1xzv h ASN 108 Cb 0.10 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1xzv h ASN 108 CO -0.13 0.98 0.16 0.58 -1.65 0.00 0.00 177.43 177.37 1xzv h VAL 109 N 0.91 1.03 -0.58 2.81 2.07 -0.80 -2.18 116.25 119.51 1xzv h VAL 109 Ca 0.18 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.66 1xzv h VAL 109 Cb 0.43 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1xzv h VAL 109 CO 0.01 0.06 0.24 0.25 0.02 0.00 0.00 177.57 178.16 1xzv h LEU 110 N 0.34 0.28 -1.10 2.57 5.85 -0.64 0.20 115.31 122.81 1xzv h LEU 110 Ca 0.11 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1xzv h LEU 110 Cb -0.00 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1xzv h LEU 110 CO -0.05 0.18 0.60 0.58 -0.34 0.00 0.00 178.44 179.41 1xzv h VAL 111 N 0.44 1.24 -0.59 1.05 2.07 -1.20 0.13 116.25 119.39 1xzv h VAL 111 Ca 0.28 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 1xzv h VAL 111 Cb 0.30 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1xzv h VAL 111 CO -0.26 0.23 -0.02 0.00 0.02 0.00 0.00 177.57 177.54 1xzv h VAL 113 N 0.94 1.22 -0.30 0.00 2.07 0.15 0.15 116.25 120.48 1xzv h VAL 113 Ca 0.16 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 1xzv h VAL 113 Cb 0.58 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1xzv h VAL 113 CO 0.03 0.25 -0.19 -0.07 0.02 0.00 0.00 177.57 177.62 1xzv h LEU 114 N 0.90 0.55 -0.31 2.57 3.38 -0.69 -1.50 115.31 120.20 1xzv h LEU 114 Ca 0.22 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1xzv h LEU 114 Cb 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1xzv h LEU 114 CO -0.03 0.74 -0.09 0.00 0.09 0.00 0.00 178.44 179.15 1xzv h ALA 115 N 1.31 0.42 -0.45 1.53 0.00 -0.68 -0.50 119.26 120.89 1xzv h ALA 115 Ca 0.08 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1xzv h ALA 115 Cb 0.60 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1xzv h ALA 115 CO 0.04 0.27 0.20 1.25 0.00 0.00 0.00 179.25 181.01 1xzv h HIS 116 N 0.37 0.36 -0.04 0.00 -0.00 -0.44 -0.33 115.15 115.06 1xzv h HIS 116 Ca 0.07 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.39 1xzv h HIS 116 Cb 0.59 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 1xzv h HIS 116 CO 0.05 0.16 -0.28 0.45 -0.00 0.00 0.00 177.93 178.31 1xzv h HIS 117 N 0.39 0.37 -0.01 5.26 -0.00 -1.24 -3.36 115.15 116.57 1xzv h HIS 117 Ca 0.20 -0.17 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1xzv h HIS 117 Cb 0.15 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.51 1xzv h HIS 117 CO -0.13 0.91 -0.48 1.19 -0.00 0.00 0.00 177.93 179.42 1xzv n PHE 118 N -4.48 0.00 -0.39 2.45 3.01 -0.20 -5.03 117.46 112.83 1xzv n PHE 118 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1xzv n PHE 118 Cb 0.49 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 1xzv n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xzv n GLY 119 N 1.43 2.99 0.33 1.37 0.00 -0.14 -1.81 105.19 109.36 1xzv n GLY 119 Ca 0.08 -0.09 0.19 0.00 0.00 0.00 0.00 46.02 46.21 1xzv n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xzv h LYS 120 N 0.00 0.00 0.00 1.61 -0.00 -1.96 -0.74 116.57 115.48 1xzv h LYS 120 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.63 1xzv h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1xzv h LYS 120 CO 0.00 0.00 -0.11 1.49 -0.00 0.00 0.00 179.45 180.83 1xzv h GLU 121 N 0.00 0.00 -3.97 0.07 4.81 -1.75 -3.26 114.58 110.47 1xzv h GLU 121 Ca 0.01 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.50 1xzv h GLU 121 Cb 0.17 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.40 1xzv h GLU 121 CO -0.00 0.11 1.95 0.34 -0.73 0.00 0.00 179.01 180.68 1xzv n PHE 122 N -3.37 3.60 -1.58 0.92 7.35 -0.29 -4.94 117.46 119.15 1xzv n PHE 122 Ca -0.01 -2.96 -0.32 0.00 -0.76 0.00 0.00 57.45 53.40 1xzv n PHE 122 Cb 0.30 -2.09 0.06 0.00 0.35 0.00 0.00 39.48 38.10 1xzv n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xzv s THR 123 N 1.08 3.40 0.23 -2.13 -4.23 -1.23 -4.75 115.64 108.00 1xzv s THR 123 Ca 0.42 0.56 -0.15 0.00 -1.18 0.00 0.00 61.69 61.33 1xzv s THR 123 Cb 0.06 -3.08 0.27 0.00 1.34 0.00 0.00 72.50 71.09 1xzv s THR 123 CO -0.00 -0.49 1.57 -0.65 -0.54 0.00 0.00 174.62 174.51 1xzv h PRO 124 N -0.42 -0.04 0.00 3.99 0.11 -1.94 0.51 132.00 134.21 1xzv h PRO 124 Ca -0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1xzv h PRO 124 Cb 1.23 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1xzv h PRO 124 CO 0.54 -0.03 -0.24 -1.00 -0.21 0.00 0.00 178.00 177.06 1xzv h PRO 125 N -0.04 0.00 -0.01 1.05 0.13 -1.99 -1.52 132.00 129.61 1xzv h PRO 125 Ca 0.35 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.26 1xzv h PRO 125 Cb 0.61 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 1xzv h PRO 125 CO -0.89 0.24 -0.90 0.28 -0.23 0.00 0.00 178.00 176.51 1xzv h VAL 126 N 0.00 1.41 -0.51 1.56 2.07 -0.49 -2.93 116.25 117.35 1xzv h VAL 126 Ca -0.00 -2.41 -0.03 0.00 0.82 0.00 0.00 66.70 65.08 1xzv h VAL 126 Cb 0.62 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1xzv h VAL 126 CO 0.03 0.72 0.19 -0.61 0.02 0.00 0.00 177.57 177.92 1xzv h GLN 127 N 0.23 0.78 -0.89 1.57 4.15 -0.18 -2.12 115.11 118.65 1xzv h GLN 127 Ca -0.07 -0.15 0.05 0.00 0.77 0.00 0.00 58.65 59.26 1xzv h GLN 127 Cb 1.52 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 29.04 1xzv h GLN 127 CO 0.15 0.70 0.58 0.00 -1.93 0.00 0.00 178.83 178.33 1xzv h ALA 128 N 1.04 1.50 -0.18 3.38 0.00 -1.24 0.17 119.26 123.93 1xzv h ALA 128 Ca 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1xzv h ALA 128 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xzv h ALA 128 CO -0.01 0.39 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 1xzv h ALA 129 N 1.50 0.26 -0.54 0.00 0.00 -1.33 -2.44 119.26 116.71 1xzv h ALA 129 Ca 0.37 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1xzv h ALA 129 Cb 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1xzv h ALA 129 CO -0.13 0.04 0.15 1.88 0.00 0.00 0.00 179.25 181.19 1xzv h TYR 130 N 0.07 0.83 -0.38 0.00 0.05 -0.83 -1.49 116.97 115.22 1xzv h TYR 130 Ca 0.05 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.76 1xzv h TYR 130 Cb 0.51 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 1xzv h TYR 130 CO 0.06 0.69 0.25 1.96 -1.05 0.00 0.00 178.16 180.06 1xzv h GLN 131 N 0.79 0.49 -0.88 4.88 1.08 -0.58 0.31 115.11 121.20 1xzv h GLN 131 Ca 0.18 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.38 1xzv h GLN 131 Cb 0.26 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.53 1xzv h GLN 131 CO -0.01 0.32 0.57 0.87 -0.95 0.00 0.00 178.83 179.64 1xzv h LYS 132 N 0.50 1.09 0.12 1.46 1.57 -1.04 -2.24 116.57 118.02 1xzv h LYS 132 Ca 0.14 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1xzv h LYS 132 Cb -0.05 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.01 1xzv h LYS 132 CO -0.03 0.72 -0.06 0.28 -0.57 0.00 0.00 179.45 179.79 1xzv h VAL 133 N 1.12 1.04 -0.02 0.50 2.07 -0.27 -1.80 116.25 118.88 1xzv h VAL 133 Ca 0.34 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1xzv h VAL 133 Cb -0.03 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1xzv h VAL 133 CO -0.11 0.15 -0.18 -0.37 0.02 0.00 0.00 177.57 177.09 1xzv h VAL 134 N -0.46 1.14 -0.39 2.57 -1.51 -0.39 -1.07 116.25 116.15 1xzv h VAL 134 Ca -0.02 -0.65 -0.12 0.00 -1.23 0.00 0.00 66.70 64.68 1xzv h VAL 134 Cb 0.37 1.32 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1xzv h VAL 134 CO 0.03 0.19 -0.23 0.00 -1.23 0.00 0.00 177.57 176.33 1xzv h ALA 135 N 1.79 0.56 -0.51 5.19 0.00 -1.33 -1.15 119.26 123.82 1xzv h ALA 135 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1xzv h ALA 135 Cb 0.33 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1xzv h ALA 135 CO 0.02 0.54 0.29 0.78 0.00 0.00 0.00 179.25 180.89 1xzv h GLY 136 N 0.66 0.75 0.88 0.00 0.00 -0.64 0.64 103.07 105.35 1xzv h GLY 136 Ca 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1xzv h GLY 136 CO 0.06 0.31 0.07 -2.08 0.00 0.00 0.00 176.54 174.91 1xzv h VAL 137 N 0.68 1.20 -0.74 4.60 2.07 -1.12 0.10 116.25 123.04 1xzv h VAL 137 Ca 0.18 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1xzv h VAL 137 Cb 0.02 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1xzv h VAL 137 CO -0.03 0.21 0.44 0.00 0.02 0.00 0.00 177.57 178.21 1xzv h ALA 138 N 0.90 1.00 -0.20 1.67 0.00 -0.89 0.16 119.26 121.90 1xzv h ALA 138 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1xzv h ALA 138 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xzv h ALA 138 CO -0.00 0.17 0.08 -0.91 0.00 0.00 0.00 179.25 178.59 1xzv h ASN 139 N 0.83 0.28 -0.76 0.00 -0.26 -0.57 -1.43 115.58 113.67 1xzv h ASN 139 Ca 0.32 -0.17 0.08 0.00 -0.56 0.00 0.00 56.30 55.97 1xzv h ASN 139 Cb 0.14 -0.07 -0.06 0.00 -1.06 0.00 0.00 38.32 37.26 1xzv h ASN 139 CO -0.16 0.37 0.43 0.00 -1.06 0.00 0.00 177.43 177.01 1xzv h ALA 140 N 0.92 1.05 0.00 -0.83 0.00 -0.25 -0.81 119.26 119.34 1xzv h ALA 140 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xzv h ALA 140 Cb 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xzv h ALA 140 CO -0.01 0.09 -0.07 -0.07 0.00 0.00 0.00 179.25 179.20 1xzv h LEU 141 N 0.76 0.00 -0.20 0.00 3.38 -0.40 -3.03 115.31 115.81 1xzv h LEU 141 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1xzv h LEU 141 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xzv h LEU 141 CO -0.22 0.07 -0.83 0.00 0.09 0.00 0.00 178.44 177.55 1xzv n ALA 142 N -2.13 4.37 -0.17 1.53 0.00 -0.56 -4.45 120.51 119.09 1xzv n ALA 142 Ca 0.01 -0.58 0.11 0.00 0.00 0.00 0.00 53.44 52.98 1xzv n ALA 142 Cb 0.37 -0.82 0.43 0.00 0.00 0.00 0.00 19.45 19.42 1xzv n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1xzv h HIS 143 N 0.48 0.63 -0.35 0.00 2.07 -1.07 -2.07 115.15 114.86 1xzv h HIS 143 Ca 0.00 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1xzv h HIS 143 Cb 0.55 -0.20 0.00 0.00 2.57 0.00 0.00 27.41 30.32 1xzv h HIS 143 CO 0.00 0.29 0.00 1.63 -3.07 0.00 0.00 177.93 176.78 1xzv n LYS 144 N -4.49 2.00 -2.38 5.12 4.76 -1.26 -4.93 118.16 116.98 1xzv n LYS 144 Ca 0.13 -1.54 -0.34 0.00 -2.87 0.00 0.00 58.31 53.68 1xzv n LYS 144 Cb 0.38 -1.39 -0.02 0.00 -1.84 0.00 0.00 35.03 32.16 1xzv n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1xzv s TYR 145 N -1.54 2.89 0.00 2.13 2.02 -0.78 -4.78 117.35 117.29 1xzv s TYR 145 Ca 0.32 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.58 1xzv s TYR 145 Cb 0.17 -3.13 0.00 0.00 -0.40 0.00 0.00 41.96 38.61 1xzv s TYR 145 CO 0.24 -1.10 0.00 -2.39 -1.57 0.00 0.00 175.55 170.73