#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxv s LEU 2 N 0.00 4.17 0.81 7.52 1.43 -1.26 -5.04 118.68 126.31 1dxv s LEU 2 Ca 0.00 0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 1dxv s LEU 2 Cb 0.00 -2.98 0.08 0.00 0.03 0.00 0.00 46.19 43.32 1dxv s LEU 2 CO 0.00 -0.74 1.09 -0.94 0.23 0.00 0.00 176.35 175.99 1dxv s SER 3 N 1.87 4.32 0.29 2.29 1.04 -1.26 -4.77 113.70 117.48 1dxv s SER 3 Ca 0.30 1.45 0.01 0.00 0.48 0.00 0.00 55.95 58.19 1dxv s SER 3 Cb -0.13 -2.18 0.52 0.00 0.10 0.00 0.00 66.02 64.33 1dxv s SER 3 CO 0.17 -2.10 1.88 -0.65 0.98 0.00 0.00 173.24 173.52 1dxv h PRO 4 N -1.18 1.01 -0.49 4.02 0.11 -1.99 0.21 132.00 133.69 1dxv h PRO 4 Ca -0.47 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.47 1dxv h PRO 4 Cb 1.26 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1dxv h PRO 4 CO 0.57 0.67 -0.14 0.00 -0.21 0.00 0.00 178.00 178.89 1dxv h ALA 5 N 1.51 0.83 -0.33 -0.75 0.00 -1.99 -1.58 119.26 116.95 1dxv h ALA 5 Ca 0.44 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1dxv h ALA 5 Cb 0.31 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1dxv h ALA 5 CO -0.19 0.65 0.20 -0.44 0.00 0.00 0.00 179.25 179.47 1dxv h ASP 6 N 0.82 0.34 -0.84 0.00 3.32 -1.30 -1.33 116.42 117.43 1dxv h ASP 6 Ca 0.12 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1dxv h ASP 6 Cb 0.68 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 1dxv h ASP 6 CO 0.05 0.24 0.45 0.11 -1.72 0.00 0.00 179.24 178.38 1dxv h LYS 7 N 0.41 1.18 -0.35 3.56 1.57 -0.46 -1.07 116.57 121.41 1dxv h LYS 7 Ca 0.13 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1dxv h LYS 7 Cb -0.02 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1dxv h LYS 7 CO -0.05 0.87 0.12 1.15 -0.57 0.00 0.00 179.45 180.97 1dxv h THR 8 N 1.18 1.20 -0.07 -0.16 2.02 -1.03 -0.47 112.91 115.59 1dxv h THR 8 Ca 0.30 -0.65 0.01 0.00 0.77 0.00 0.00 66.41 66.83 1dxv h THR 8 Cb 0.04 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1dxv h THR 8 CO -0.05 0.23 0.01 0.78 0.37 0.00 0.00 175.52 176.86 1dxv h ASN 9 N 0.41 -0.00 -0.24 4.18 2.35 -0.95 -0.28 115.58 121.05 1dxv h ASN 9 Ca 0.11 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1dxv h ASN 9 Cb 0.24 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1dxv h ASN 9 CO -0.00 0.01 0.12 0.58 -1.65 0.00 0.00 177.43 176.49 1dxv h VAL 10 N 0.04 1.13 -0.39 2.81 2.07 -1.14 0.44 116.25 121.22 1dxv h VAL 10 Ca 0.03 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1dxv h VAL 10 Cb 0.03 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1dxv h VAL 10 CO -0.04 0.13 -0.02 0.11 0.02 0.00 0.00 177.57 177.77 1dxv h LYS 11 N 0.26 0.62 0.13 1.57 1.57 -0.94 -0.49 116.57 119.30 1dxv h LYS 11 Ca 0.08 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1dxv h LYS 11 Cb 0.10 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1dxv h LYS 11 CO -0.01 0.66 -0.06 0.00 -0.57 0.00 0.00 179.45 179.47 1dxv h ALA 12 N 1.39 -0.17 -0.32 3.86 0.00 -0.79 -0.75 119.26 122.48 1dxv h ALA 12 Ca 0.12 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1dxv h ALA 12 Cb 0.40 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1dxv h ALA 12 CO 0.02 -0.39 0.16 0.00 0.00 0.00 0.00 179.25 179.03 1dxv h ALA 13 N 0.20 0.39 -0.05 0.00 0.00 -0.81 -2.14 119.26 116.85 1dxv h ALA 13 Ca -0.02 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1dxv h ALA 13 Cb 0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1dxv h ALA 13 CO 0.03 -0.22 -0.32 2.35 0.00 0.00 0.00 179.25 181.09 1dxv h TRP 14 N 0.33 0.10 -0.14 0.00 2.91 -1.15 -2.46 115.95 115.53 1dxv h TRP 14 Ca 0.13 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.16 1dxv h TRP 14 Cb 0.04 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.64 1dxv h TRP 14 CO -0.10 0.41 -0.01 0.78 -1.03 0.00 0.00 178.44 178.49 1dxv h GLY 15 N 1.02 0.13 2.00 2.65 0.00 -0.50 -1.70 103.07 106.67 1dxv h GLY 15 Ca 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1dxv h GLY 15 CO 0.04 -0.03 -0.18 0.50 0.00 0.00 0.00 176.54 176.87 1dxv h LYS 16 N 0.04 0.00 -0.23 4.80 1.79 -1.12 -2.29 116.57 119.57 1dxv h LYS 16 Ca 0.07 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1dxv h LYS 16 Cb 0.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1dxv h LYS 16 CO -0.12 0.18 0.11 0.28 -1.08 0.00 0.00 179.45 178.83 1dxv h VAL 17 N 0.00 1.13 0.00 0.50 2.07 -0.87 -3.45 116.25 115.63 1dxv h VAL 17 Ca -0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1dxv h VAL 17 Cb 0.34 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1dxv h VAL 17 CO 0.02 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.35 1dxv n GLY 18 N -0.86 2.88 0.04 2.17 0.00 -0.86 -0.97 105.19 107.59 1dxv n GLY 18 Ca -0.03 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1dxv n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxv n ALA 19 N 10.20 1.59 1.21 4.61 0.00 -1.26 -2.72 120.51 134.14 1dxv n ALA 19 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1dxv n ALA 19 Cb 0.00 -1.26 0.52 0.00 0.00 0.00 0.00 19.45 18.71 1dxv n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dxv n HIS 20 N -1.74 0.00 -0.32 0.00 -0.00 -0.15 -4.35 115.22 108.67 1dxv n HIS 20 Ca 0.03 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.88 1dxv n HIS 20 Cb 0.17 -0.27 0.28 0.00 -0.00 0.00 0.00 29.99 30.16 1dxv n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1dxv h ALA 21 N 3.32 1.15 -0.25 -1.41 0.00 -1.61 -0.69 119.26 119.78 1dxv h ALA 21 Ca 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1dxv h ALA 21 Cb 0.43 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1dxv h ALA 21 CO 0.00 -0.54 0.16 0.78 0.00 0.00 0.00 179.25 179.65 1dxv h GLY 22 N 0.06 0.36 1.01 0.00 0.00 -1.86 -0.54 103.07 102.10 1dxv h GLY 22 Ca 0.56 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 1dxv h GLY 22 CO -0.82 0.14 0.33 -2.09 0.00 0.00 0.00 176.54 174.09 1dxv h GLU 23 N 0.32 0.97 0.00 4.80 4.81 -1.47 -2.09 114.58 121.92 1dxv h GLU 23 Ca 0.09 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1dxv h GLU 23 Cb -0.00 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1dxv h GLU 23 CO -0.02 0.77 -0.46 1.88 -0.73 0.00 0.00 179.01 180.45 1dxv h TYR 24 N 0.94 0.00 -0.26 0.92 0.05 -1.12 -1.10 116.97 116.40 1dxv h TYR 24 Ca 0.23 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.93 1dxv h TYR 24 Cb 0.11 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 1dxv h TYR 24 CO 0.00 0.46 -0.18 0.78 -1.05 0.00 0.00 178.16 178.18 1dxv h GLY 25 N 1.67 0.62 0.93 3.88 0.00 -0.65 -1.57 103.07 107.95 1dxv h GLY 25 Ca -0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.70 1dxv h GLY 25 CO 0.06 0.54 0.11 0.00 0.00 0.00 0.00 176.54 177.24 1dxv h ALA 26 N 0.71 0.49 -0.80 3.60 0.00 -1.19 -2.00 119.26 120.07 1dxv h ALA 26 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1dxv h ALA 26 Cb 0.71 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1dxv h ALA 26 CO 0.05 0.14 0.46 1.49 0.00 0.00 0.00 179.25 181.39 1dxv h GLU 27 N 0.45 1.10 -0.83 0.00 4.81 -1.17 -1.37 114.58 117.57 1dxv h GLU 27 Ca 0.12 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1dxv h GLU 27 Cb 0.27 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1dxv h GLU 27 CO -0.00 0.79 0.39 0.00 -0.73 0.00 0.00 179.01 179.46 1dxv h ALA 28 N 1.24 1.13 -0.41 2.92 0.00 -1.05 0.25 119.26 123.35 1dxv h ALA 28 Ca 0.28 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1dxv h ALA 28 Cb -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1dxv h ALA 28 CO -0.05 0.65 0.10 -0.07 0.00 0.00 0.00 179.25 179.88 1dxv h LEU 29 N 1.18 0.62 -0.44 0.00 3.38 -0.97 -1.23 115.31 117.85 1dxv h LEU 29 Ca 0.28 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1dxv h LEU 29 Cb 0.12 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1dxv h LEU 29 CO -0.03 0.69 0.21 -0.08 0.09 0.00 0.00 178.44 179.32 1dxv h GLU 30 N 0.52 0.42 -0.74 1.13 4.81 -0.81 0.83 114.58 120.75 1dxv h GLU 30 Ca 0.13 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1dxv h GLU 30 Cb 0.32 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1dxv h GLU 30 CO 0.00 0.28 0.48 0.00 -0.73 0.00 0.00 179.01 179.04 1dxv h ARG 31 N 0.43 0.94 0.25 1.92 3.08 -0.77 -2.13 114.38 118.09 1dxv h ARG 31 Ca 0.19 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1dxv h ARG 31 Cb 0.10 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1dxv h ARG 31 CO -0.14 0.62 -0.12 1.98 -1.07 0.00 0.00 179.97 181.24 1dxv h MET 32 N 0.96 -0.32 -0.87 0.04 4.05 -0.51 0.12 114.93 118.40 1dxv h MET 32 Ca 0.28 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.75 1dxv h MET 32 Cb -0.07 0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 30.76 1dxv h MET 32 CO -0.08 -0.17 0.58 0.74 0.23 0.00 0.00 176.91 178.21 1dxv h PHE 33 N -0.39 1.07 0.07 1.39 0.04 -0.62 0.12 116.94 118.63 1dxv h PHE 33 Ca -0.03 0.03 -0.20 0.00 2.80 0.00 0.00 57.97 60.56 1dxv h PHE 33 Cb 0.29 -0.36 0.02 0.00 2.20 0.00 0.00 35.95 38.10 1dxv h PHE 33 CO -0.05 0.64 -0.81 -0.07 -0.60 0.00 0.00 178.31 177.42 1dxv h LEU 34 N 1.13 0.59 -0.18 1.54 3.38 -1.29 -3.25 115.31 117.23 1dxv h LEU 34 Ca 0.34 -0.84 -0.23 0.00 0.09 0.00 0.00 57.88 57.24 1dxv h LEU 34 Cb -0.04 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.53 1dxv h LEU 34 CO -0.09 1.37 -0.90 0.28 0.09 0.00 0.00 178.44 179.18 1dxv h SER 35 N -0.10 0.66 -2.73 -0.43 0.02 -0.63 -3.39 113.55 106.95 1dxv h SER 35 Ca -0.12 -0.50 -0.61 0.00 -0.84 0.00 0.00 61.79 59.72 1dxv h SER 35 Cb 1.56 -0.20 -0.40 0.00 0.14 0.00 0.00 62.40 63.49 1dxv h SER 35 CO 0.16 1.29 -0.77 0.49 -1.14 0.00 0.00 176.83 176.86 1dxv n PHE 36 N -3.81 1.23 0.26 3.45 3.72 0.42 -4.99 117.46 117.73 1dxv n PHE 36 Ca -0.07 -3.83 0.18 0.00 -0.05 0.00 0.00 57.45 53.68 1dxv n PHE 36 Cb 0.81 -0.19 0.88 0.00 -0.94 0.00 0.00 39.48 40.03 1dxv n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1dxv h PRO 37 N 5.49 0.00 0.00 -1.08 0.13 -1.74 -1.45 132.00 133.35 1dxv h PRO 37 Ca 0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.32 1dxv h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1dxv h PRO 37 CO 0.55 0.00 -0.11 1.79 -0.23 0.00 0.00 178.00 180.00 1dxv h THR 38 N 0.00 0.67 0.00 1.56 1.35 -1.92 -1.56 112.91 113.02 1dxv h THR 38 Ca 0.06 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.47 1dxv h THR 38 Cb 0.57 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1dxv h THR 38 CO -0.00 0.10 -0.05 0.71 -0.25 0.00 0.00 175.52 176.03 1dxv h THR 39 N 0.00 0.26 0.00 6.82 1.35 -1.59 -2.09 112.91 117.65 1dxv h THR 39 Ca -0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1dxv h THR 39 Cb 0.26 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1dxv h THR 39 CO 0.01 0.05 0.00 0.11 -0.25 0.00 0.00 175.52 175.44 1dxv h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.47 -2.70 116.57 118.69 1dxv h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dxv h LYS 40 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1dxv h LYS 40 CO 0.01 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 1dxv h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.55 -2.09 112.91 110.45 1dxv h THR 41 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1dxv h THR 41 Cb 0.28 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1dxv h THR 41 CO 0.00 0.00 -0.19 -1.22 -0.25 0.00 0.00 175.52 173.86 1dxv n TYR 42 N -2.67 0.00 -2.88 4.73 4.01 -1.02 -4.29 117.16 115.04 1dxv n TYR 42 Ca -0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.54 1dxv n TYR 42 Cb 0.18 -0.18 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 1dxv n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1dxv n PHE 43 N -0.90 1.89 0.28 -0.72 3.01 -0.78 -4.88 117.46 115.36 1dxv n PHE 43 Ca 0.12 -3.50 0.17 0.00 1.01 0.00 0.00 57.45 55.26 1dxv n PHE 43 Cb 0.31 -0.37 0.79 0.00 -0.01 0.00 0.00 39.48 40.20 1dxv n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1dxv h PRO 44 N 2.93 0.00 -0.06 -1.08 0.13 -1.75 -2.62 132.00 129.55 1dxv h PRO 44 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1dxv h PRO 44 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1dxv h PRO 44 CO 0.63 0.03 0.00 -2.39 -0.23 0.00 0.00 178.00 176.05 1dxv n HIS 45 N -3.18 0.06 -4.05 1.56 1.44 -1.26 -4.91 115.22 104.88 1dxv n HIS 45 Ca -0.00 -0.03 -0.26 0.00 -2.01 0.00 0.00 57.72 55.41 1dxv n HIS 45 Cb 0.26 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.32 1dxv n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1dxv s PHE 46 N -1.94 3.23 -0.48 -1.40 0.40 -0.99 -5.07 117.98 111.72 1dxv s PHE 46 Ca 0.36 0.02 -0.21 0.00 -0.60 0.00 0.00 56.93 56.50 1dxv s PHE 46 Cb 0.20 -1.55 0.04 0.00 0.51 0.00 0.00 43.02 42.22 1dxv s PHE 46 CO 0.32 0.52 0.71 0.34 0.70 0.00 0.00 175.22 177.81 1dxv s ASP 47 N -3.11 6.31 -0.08 1.36 -1.08 -1.26 -4.92 116.67 113.89 1dxv s ASP 47 Ca 0.32 -0.47 0.16 0.00 -0.52 0.00 0.00 52.55 52.04 1dxv s ASP 47 Cb -0.10 -2.34 0.61 0.00 -1.46 0.00 0.00 42.92 39.62 1dxv s ASP 47 CO 0.24 -0.91 1.50 0.18 0.52 0.00 0.00 175.17 176.70 1dxv n LEU 48 N 6.52 4.01 -4.77 -1.34 4.77 -1.26 -4.53 117.00 120.40 1dxv n LEU 48 Ca -0.02 -2.02 -0.33 0.00 -0.03 0.00 0.00 56.01 53.61 1dxv n LEU 48 Cb 0.47 -0.51 0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1dxv n LEU 48 CO 0.56 0.73 0.75 -0.94 -1.33 0.00 0.00 177.39 177.16 1dxv s SER 49 N -0.86 5.13 0.13 -1.43 1.04 -1.26 -4.91 113.70 111.53 1dxv s SER 49 Ca 0.43 2.03 -0.34 0.00 0.48 0.00 0.00 55.95 58.56 1dxv s SER 49 Cb 0.27 -2.56 -0.14 0.00 0.10 0.00 0.00 66.02 63.70 1dxv s SER 49 CO 0.22 -1.62 1.60 1.57 0.98 0.00 0.00 173.24 176.00 1dxv n HIS 50 N -2.32 2.25 -0.06 5.02 -0.00 -1.26 -1.03 115.22 117.82 1dxv n HIS 50 Ca 0.11 0.25 0.00 0.00 0.46 0.00 0.00 57.72 58.54 1dxv n HIS 50 Cb 0.52 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.84 1dxv n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1dxv n GLY 51 N 3.49 1.16 3.62 1.57 0.00 -1.26 -5.02 105.19 108.75 1dxv n GLY 51 Ca 0.18 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.70 1dxv n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1dxv n SER 52 N 0.00 2.16 0.24 1.61 2.88 -0.19 -4.84 113.62 115.48 1dxv n SER 52 Ca 0.00 1.11 0.12 0.00 -1.33 0.00 0.00 58.87 58.77 1dxv n SER 52 Cb 0.00 -1.28 0.58 0.00 -0.75 0.00 0.00 64.21 62.76 1dxv n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dxv h ALA 53 N 5.02 1.07 -0.44 -1.46 0.00 -1.90 -1.73 119.26 119.82 1dxv h ALA 53 Ca -0.47 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 1dxv h ALA 53 Cb 1.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1dxv h ALA 53 CO 0.81 0.20 -0.17 1.96 0.00 0.00 0.00 179.25 182.05 1dxv h GLN 54 N 0.00 0.89 -0.30 0.00 4.20 -1.88 0.19 115.11 118.22 1dxv h GLN 54 Ca -0.00 -0.37 -0.10 0.00 0.06 0.00 0.00 58.65 58.23 1dxv h GLN 54 Cb 0.60 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1dxv h GLN 54 CO 0.02 1.02 -0.22 0.28 -0.67 0.00 0.00 178.83 179.25 1dxv h VAL 55 N 0.72 1.30 -0.26 -0.54 2.07 -1.73 -0.96 116.25 116.86 1dxv h VAL 55 Ca 0.10 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.28 1dxv h VAL 55 Cb 0.73 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1dxv h VAL 55 CO 0.06 0.44 0.11 0.11 0.02 0.00 0.00 177.57 178.30 1dxv h LYS 56 N 0.42 0.23 -0.39 1.57 1.57 -1.16 0.48 116.57 119.29 1dxv h LYS 56 Ca 0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1dxv h LYS 56 Cb 0.78 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1dxv h LYS 56 CO 0.06 0.15 0.22 0.78 -0.57 0.00 0.00 179.45 180.09 1dxv h GLY 57 N 0.24 0.58 1.16 3.86 0.00 -0.53 -1.78 103.07 106.60 1dxv h GLY 57 Ca 0.11 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 1dxv h GLY 57 CO -0.09 0.24 -0.03 0.84 0.00 0.00 0.00 176.54 177.50 1dxv h HIS 58 N 0.51 1.09 -0.77 5.60 -0.00 -0.97 -2.64 115.15 117.95 1dxv h HIS 58 Ca 0.14 -0.19 0.08 0.00 -0.00 0.00 0.00 60.37 60.40 1dxv h HIS 58 Cb 0.03 -0.28 -0.07 0.00 -0.00 0.00 0.00 27.41 27.09 1dxv h HIS 58 CO -0.03 0.98 0.44 0.78 -0.00 0.00 0.00 177.93 180.10 1dxv h GLY 59 N 0.98 1.18 1.01 5.26 0.00 0.37 -0.92 103.07 110.95 1dxv h GLY 59 Ca 0.16 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1dxv h GLY 59 CO 0.03 0.14 0.31 1.70 0.00 0.00 0.00 176.54 178.72 1dxv h LYS 60 N 0.75 1.00 -0.41 4.80 3.11 -1.06 -0.92 116.57 123.85 1dxv h LYS 60 Ca 0.37 -0.16 -0.06 0.00 -2.81 0.00 0.00 60.65 57.99 1dxv h LYS 60 Cb 0.30 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.35 1dxv h LYS 60 CO -0.23 0.81 0.03 0.87 -2.81 0.00 0.00 179.45 178.12 1dxv h LYS 61 N 0.96 0.70 -0.32 1.90 1.57 -1.05 0.84 116.57 121.16 1dxv h LYS 61 Ca 0.23 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1dxv h LYS 61 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1dxv h LYS 61 CO -0.03 0.76 0.19 0.28 -0.57 0.00 0.00 179.45 180.09 1dxv h VAL 62 N 0.54 1.12 -0.58 0.50 2.07 -1.01 -1.54 116.25 117.34 1dxv h VAL 62 Ca 0.12 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1dxv h VAL 62 Cb 0.43 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1dxv h VAL 62 CO 0.01 0.12 0.28 0.00 0.02 0.00 0.00 177.57 178.01 1dxv h ALA 63 N 1.06 0.75 -0.62 1.67 0.00 -0.99 -1.87 119.26 119.27 1dxv h ALA 63 Ca 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1dxv h ALA 63 Cb 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1dxv h ALA 63 CO -0.02 0.30 0.22 -0.44 0.00 0.00 0.00 179.25 179.32 1dxv h ASP 64 N 0.79 0.84 -0.59 0.00 3.32 -0.67 -0.27 116.42 119.83 1dxv h ASP 64 Ca 0.20 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1dxv h ASP 64 Cb 0.11 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1dxv h ASP 64 CO -0.03 0.77 0.12 0.00 -1.72 0.00 0.00 179.24 178.38 1dxv h ALA 65 N 1.35 1.04 -0.58 3.45 0.00 -0.75 -1.54 119.26 122.23 1dxv h ALA 65 Ca 0.21 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1dxv h ALA 65 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1dxv h ALA 65 CO -0.01 0.62 -0.01 -0.07 0.00 0.00 0.00 179.25 179.78 1dxv h LEU 66 N 0.94 1.01 -0.68 0.00 4.07 -0.77 -0.08 115.31 119.81 1dxv h LEU 66 Ca 0.20 -0.31 -0.02 0.00 0.08 0.00 0.00 57.88 57.82 1dxv h LEU 66 Cb 0.38 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 1dxv h LEU 66 CO 0.01 1.07 0.33 0.74 -1.08 0.00 0.00 178.44 179.51 1dxv h THR 67 N 0.91 1.22 -0.65 0.22 2.02 -0.76 0.11 112.91 115.99 1dxv h THR 67 Ca 0.16 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1dxv h THR 67 Cb 0.56 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1dxv h THR 67 CO 0.03 0.26 0.42 -1.13 0.37 0.00 0.00 175.52 175.47 1dxv h ASN 68 N 0.94 0.75 -0.72 4.18 -1.24 -0.89 -1.49 115.58 117.11 1dxv h ASN 68 Ca 0.23 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.15 1dxv h ASN 68 Cb 0.10 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.93 1dxv h ASN 68 CO -0.03 0.56 0.23 0.00 -1.29 0.00 0.00 177.43 176.90 1dxv h ALA 69 N 1.22 1.02 -0.36 1.57 0.00 -0.40 -1.91 119.26 120.41 1dxv h ALA 69 Ca 0.24 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1dxv h ALA 69 Cb -0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1dxv h ALA 69 CO -0.05 0.66 0.11 0.28 0.00 0.00 0.00 179.25 180.25 1dxv h VAL 70 N 1.08 1.21 -0.09 0.00 2.07 -0.21 -1.06 116.25 119.25 1dxv h VAL 70 Ca 0.24 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1dxv h VAL 70 Cb 0.30 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1dxv h VAL 70 CO -0.01 0.23 0.01 0.00 0.02 0.00 0.00 177.57 177.83 1dxv h ALA 71 N 0.96 1.86 -0.45 1.67 0.00 -1.11 -2.79 119.26 119.39 1dxv h ALA 71 Ca 0.12 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.67 1dxv h ALA 71 Cb 0.25 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 17.78 1dxv h ALA 71 CO -0.00 0.11 -0.40 0.72 0.00 0.00 0.00 179.25 179.67 1dxv n HIS 72 N -4.47 1.57 0.12 0.00 8.25 -0.73 -4.85 115.22 115.10 1dxv n HIS 72 Ca -0.02 -1.92 0.20 0.00 -0.26 0.00 0.00 57.72 55.72 1dxv n HIS 72 Cb 0.12 -0.44 0.76 0.00 1.12 0.00 0.00 29.99 31.55 1dxv n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1dxv h VAL 73 N 1.44 0.42 -0.00 1.59 3.04 -0.91 0.29 116.25 122.12 1dxv h VAL 73 Ca 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.94 1dxv h VAL 73 Cb 1.36 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1dxv h VAL 73 CO 0.51 0.00 -0.47 0.47 -1.01 0.00 0.00 177.57 177.08 1dxv n ASP 74 N -3.77 0.48 -3.00 3.17 8.00 -1.26 -4.28 116.55 115.89 1dxv n ASP 74 Ca 0.06 -0.22 -0.16 0.00 0.71 0.00 0.00 54.79 55.18 1dxv n ASP 74 Cb 0.55 0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.84 1dxv n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1dxv n ASP 75 N -1.48 1.25 -0.07 -2.24 2.03 0.97 -4.96 116.55 112.04 1dxv n ASP 75 Ca 0.06 -2.96 -0.11 0.00 0.52 0.00 0.00 54.79 52.30 1dxv n ASP 75 Cb 0.34 -0.59 -0.05 0.00 -0.72 0.00 0.00 41.12 40.10 1dxv n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1dxv h MET 76 N 2.99 0.39 -0.84 -0.67 2.86 -1.62 -2.70 114.93 115.36 1dxv h MET 76 Ca 0.04 -0.13 0.10 0.00 -2.06 0.00 0.00 59.70 57.65 1dxv h MET 76 Cb 1.02 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.57 1dxv h MET 76 CO 0.52 0.58 0.48 -1.35 1.06 0.00 0.00 176.91 178.21 1dxv h PRO 77 N 0.16 0.79 -0.06 -0.22 0.11 -1.93 0.57 132.00 131.41 1dxv h PRO 77 Ca 0.06 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.03 1dxv h PRO 77 Cb 0.41 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1dxv h PRO 77 CO 0.01 0.52 -0.33 -0.91 -0.21 0.00 0.00 178.00 177.08 1dxv h ASN 78 N 0.81 0.40 -0.82 -2.05 4.21 -1.97 -1.77 115.58 114.39 1dxv h ASN 78 Ca 0.40 -0.66 0.02 0.00 1.21 0.00 0.00 56.30 57.28 1dxv h ASN 78 Cb 0.36 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 37.40 1dxv h ASN 78 CO -0.25 1.00 0.54 0.00 -1.29 0.00 0.00 177.43 177.43 1dxv h ALA 79 N 0.41 1.46 -0.65 -0.83 0.00 -1.14 -2.45 119.26 116.07 1dxv h ALA 79 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dxv h ALA 79 Cb 0.99 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1dxv h ALA 79 CO 0.07 0.47 0.00 1.28 0.00 0.00 0.00 179.25 181.07 1dxv n LEU 80 N -4.43 4.30 -0.13 0.00 4.77 0.16 -4.69 117.00 116.98 1dxv n LEU 80 Ca 0.10 -2.16 -0.04 0.00 -0.03 0.00 0.00 56.01 53.88 1dxv n LEU 80 Cb 0.07 -0.54 0.04 0.00 -2.33 0.00 0.00 43.42 40.67 1dxv n LEU 80 CO 0.35 0.83 0.87 -1.28 -1.33 0.00 0.00 177.39 176.83 1dxv h SER 81 N 3.98 -0.10 0.01 -1.43 0.87 -0.81 0.19 113.55 116.26 1dxv h SER 81 Ca 0.00 0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 1dxv h SER 81 Cb 1.25 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 1dxv h SER 81 CO 0.15 -0.02 -0.23 0.00 -0.53 0.00 0.00 176.83 176.21 1dxv h ALA 82 N 1.36 1.23 -0.12 6.23 0.00 -1.83 -1.50 119.26 124.64 1dxv h ALA 82 Ca 0.22 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1dxv h ALA 82 Cb 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1dxv h ALA 82 CO -0.33 0.50 -0.68 1.25 0.00 0.00 0.00 179.25 180.00 1dxv h LEU 83 N 0.34 0.59 -0.58 0.00 5.85 -1.67 -1.26 115.31 118.57 1dxv h LEU 83 Ca 0.05 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 1dxv h LEU 83 Cb 0.59 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1dxv h LEU 83 CO 0.04 1.10 0.23 0.28 -0.34 0.00 0.00 178.44 179.75 1dxv h SER 84 N 0.36 0.80 -0.12 1.25 0.02 -0.70 -1.65 113.55 113.52 1dxv h SER 84 Ca -0.02 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1dxv h SER 84 Cb 1.25 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1dxv h SER 84 CO 0.12 0.76 0.07 0.44 -1.14 0.00 0.00 176.83 177.09 1dxv h ASP 85 N 0.80 0.13 -0.43 3.07 3.32 -1.13 -1.84 116.42 120.35 1dxv h ASP 85 Ca 0.19 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1dxv h ASP 85 Cb 0.21 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1dxv h ASP 85 CO -0.01 0.12 0.28 0.25 -1.72 0.00 0.00 179.24 178.16 1dxv h LEU 86 N 0.14 0.49 -0.27 1.55 5.85 -1.01 -0.59 115.31 121.48 1dxv h LEU 86 Ca 0.04 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 1dxv h LEU 86 Cb 0.00 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1dxv h LEU 86 CO -0.01 0.35 -0.32 0.45 -0.34 0.00 0.00 178.44 178.58 1dxv h HIS 87 N 0.58 0.84 -0.40 1.25 3.86 -1.29 -1.25 115.15 118.73 1dxv h HIS 87 Ca 0.16 -0.26 -0.08 0.00 -1.16 0.00 0.00 60.37 59.02 1dxv h HIS 87 Cb -0.06 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1dxv h HIS 87 CO -0.05 1.01 -0.06 0.00 0.86 0.00 0.00 177.93 179.70 1dxv h ALA 88 N 0.68 0.55 0.00 2.45 0.00 -1.22 0.62 119.26 122.34 1dxv h ALA 88 Ca 0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1dxv h ALA 88 Cb 0.90 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1dxv h ALA 88 CO 0.08 0.38 -1.93 0.72 0.00 0.00 0.00 179.25 178.50 1dxv n HIS 89 N -4.38 0.00 0.01 0.00 8.25 -0.24 -4.56 115.22 114.31 1dxv n HIS 89 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1dxv n HIS 89 Cb 0.33 -0.51 -0.00 0.00 1.12 0.00 0.00 29.99 30.93 1dxv n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1dxv n LYS 90 N -2.24 0.07 -0.12 -0.41 4.81 -0.71 -4.86 118.16 114.70 1dxv n LYS 90 Ca -0.07 0.03 -0.11 0.00 -0.87 0.00 0.00 58.31 57.29 1dxv n LYS 90 Cb 0.59 -0.49 -0.02 0.00 0.02 0.00 0.00 35.03 35.12 1dxv n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1dxv h LEU 91 N -0.14 0.62 -2.20 3.14 3.38 -1.36 -3.48 115.31 115.28 1dxv h LEU 91 Ca 0.00 -0.31 -0.43 0.00 0.09 0.00 0.00 57.88 57.23 1dxv h LEU 91 Cb 0.14 -0.17 0.05 0.00 0.09 0.00 0.00 40.66 40.77 1dxv h LEU 91 CO 0.00 0.79 -0.87 0.54 0.09 0.00 0.00 178.44 178.98 1dxv n ARG 92 N -4.49 -3.48 -2.60 1.13 1.74 0.22 -4.94 116.66 104.24 1dxv n ARG 92 Ca -0.02 0.55 -0.42 0.00 -0.77 0.00 0.00 57.85 57.19 1dxv n ARG 92 Cb 0.28 -4.83 -0.03 0.00 -1.02 0.00 0.00 32.46 26.86 1dxv n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1dxv s VAL 93 N -3.67 4.55 0.23 1.55 1.01 -1.25 -4.97 120.40 117.84 1dxv s VAL 93 Ca 0.15 1.83 -0.32 0.00 0.00 0.00 0.00 61.98 63.64 1dxv s VAL 93 Cb -0.05 -4.17 -0.13 0.00 0.00 0.00 0.00 36.38 32.03 1dxv s VAL 93 CO 0.84 0.12 1.46 -0.67 0.00 0.00 0.00 175.10 176.84 1dxv n ASP 94 N 4.11 2.91 -0.16 3.32 -0.08 -1.26 -4.80 116.55 120.60 1dxv n ASP 94 Ca 0.08 1.13 0.28 0.00 -1.51 0.00 0.00 54.79 54.76 1dxv n ASP 94 Cb 0.49 -1.44 0.72 0.00 2.34 0.00 0.00 41.12 43.23 1dxv n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1dxv h PRO 95 N 4.60 0.00 -0.61 -0.67 0.11 -2.00 -1.42 132.00 132.02 1dxv h PRO 95 Ca -0.45 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.76 1dxv h PRO 95 Cb 1.27 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 1dxv h PRO 95 CO 0.79 0.00 0.41 -0.24 -0.21 0.00 0.00 178.00 178.75 1dxv h VAL 96 N 0.00 0.90 0.00 3.15 3.04 -2.03 -2.60 116.25 118.70 1dxv h VAL 96 Ca 0.41 -0.15 -0.04 0.00 -1.01 0.00 0.00 66.70 65.91 1dxv h VAL 96 Cb 1.64 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 1dxv h VAL 96 CO -0.00 0.08 -0.21 0.78 -1.01 0.00 0.00 177.57 177.20 1dxv h ASN 97 N 0.43 0.00 -0.56 3.17 4.21 -1.61 -2.87 115.58 118.35 1dxv h ASN 97 Ca 0.28 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.76 1dxv h ASN 97 Cb 0.54 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.71 1dxv h ASN 97 CO -0.08 0.21 0.24 -0.26 -1.29 0.00 0.00 177.43 176.25 1dxv h PHE 98 N 0.00 0.87 -0.10 1.19 -1.00 -1.64 -1.54 116.94 114.72 1dxv h PHE 98 Ca -0.00 -0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.64 1dxv h PHE 98 Cb 0.52 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 1dxv h PHE 98 CO 0.00 0.67 -0.36 1.57 -1.61 0.00 0.00 178.31 178.58 1dxv h LYS 99 N 0.86 0.21 -0.11 1.51 2.10 -1.66 -1.65 116.57 117.84 1dxv h LYS 99 Ca 0.20 -0.09 -0.06 0.00 -2.00 0.00 0.00 60.65 58.70 1dxv h LYS 99 Cb 0.17 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1dxv h LYS 99 CO -0.02 0.55 -0.18 -0.07 -2.00 0.00 0.00 179.45 177.73 1dxv h LEU 100 N 0.18 0.34 -0.62 7.07 3.38 -1.45 -1.71 115.31 122.50 1dxv h LEU 100 Ca 0.02 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 1dxv h LEU 100 Cb 0.73 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1dxv h LEU 100 CO 0.06 0.82 0.26 0.25 0.09 0.00 0.00 178.44 179.92 1dxv h LEU 101 N -0.13 0.84 -0.28 1.67 6.46 -1.23 -2.23 115.31 120.41 1dxv h LEU 101 Ca 0.01 -0.16 0.05 0.00 -0.12 0.00 0.00 57.88 57.66 1dxv h LEU 101 Cb 0.75 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 40.42 1dxv h LEU 101 CO 0.04 0.77 -0.02 0.28 -0.62 0.00 0.00 178.44 178.89 1dxv h SER 102 N 0.86 -0.15 -0.57 1.25 0.02 -1.28 0.19 113.55 113.87 1dxv h SER 102 Ca 0.21 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.25 1dxv h SER 102 Cb 0.17 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1dxv h SER 102 CO -0.02 -0.04 0.36 -0.74 -1.14 0.00 0.00 176.83 175.24 1dxv h HIS 103 N 0.06 0.67 -0.28 3.45 -0.00 -1.15 -0.95 115.15 116.96 1dxv h HIS 103 Ca 0.13 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.46 1dxv h HIS 103 Cb 0.18 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 1dxv h HIS 103 CO -0.23 0.40 -0.08 0.00 -0.00 0.00 0.00 177.93 178.02 1dxv h LEU 105 N 0.43 0.70 -0.40 0.00 5.85 -0.22 -1.84 115.31 119.83 1dxv h LEU 105 Ca 0.09 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1dxv h LEU 105 Cb 0.41 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1dxv h LEU 105 CO 0.02 0.79 0.25 0.25 -0.34 0.00 0.00 178.44 179.42 1dxv h LEU 106 N 0.59 0.47 -0.72 2.25 5.85 -0.75 0.18 115.31 123.18 1dxv h LEU 106 Ca 0.13 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1dxv h LEU 106 Cb 0.40 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1dxv h LEU 106 CO 0.01 0.37 0.46 0.58 -0.34 0.00 0.00 178.44 179.52 1dxv h VAL 107 N 0.54 1.19 -0.30 1.05 2.07 -1.20 0.50 116.25 120.10 1dxv h VAL 107 Ca 0.15 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1dxv h VAL 107 Cb -0.02 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1dxv h VAL 107 CO -0.03 0.19 0.17 0.74 0.02 0.00 0.00 177.57 178.66 1dxv h THR 108 N 0.98 1.13 -0.17 2.57 2.02 -1.00 -0.95 112.91 117.49 1dxv h THR 108 Ca 0.26 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1dxv h THR 108 Cb -0.08 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1dxv h THR 108 CO -0.05 0.13 0.09 -0.07 0.37 0.00 0.00 175.52 175.99 1dxv h LEU 109 N 0.37 0.21 -0.95 2.58 4.07 -0.65 -2.71 115.31 118.23 1dxv h LEU 109 Ca 0.11 -0.08 0.13 0.00 0.08 0.00 0.00 57.88 58.12 1dxv h LEU 109 Cb 0.06 -0.05 -0.09 0.00 1.08 0.00 0.00 40.66 41.66 1dxv h LEU 109 CO -0.02 0.22 0.57 0.00 -1.08 0.00 0.00 178.44 178.14 1dxv h ALA 110 N 0.99 1.43 0.00 1.53 0.00 -0.59 0.34 119.26 122.95 1dxv h ALA 110 Ca 0.06 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1dxv h ALA 110 Cb 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1dxv h ALA 110 CO -0.01 0.12 -0.04 0.00 0.00 0.00 0.00 179.25 179.33 1dxv h ALA 111 N 1.54 1.00 0.00 0.00 0.00 -0.97 -3.28 119.26 117.55 1dxv h ALA 111 Ca 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1dxv h ALA 111 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1dxv h ALA 111 CO -0.29 0.05 -1.03 0.72 0.00 0.00 0.00 179.25 178.70 1dxv n HIS 112 N -3.14 0.00 -3.10 0.00 -0.00 -0.70 -4.80 115.22 103.48 1dxv n HIS 112 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.47 1dxv n HIS 112 Cb 0.35 -0.11 -0.05 0.00 -0.00 0.00 0.00 29.99 30.18 1dxv n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1dxv n LEU 113 N -1.57 3.60 -0.18 2.41 4.77 0.11 -4.95 117.00 121.20 1dxv n LEU 113 Ca -0.01 -5.49 -0.12 0.00 -0.03 0.00 0.00 56.01 50.37 1dxv n LEU 113 Cb 0.16 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 40.81 1dxv n LEU 113 CO 0.14 2.26 0.52 1.55 -1.33 0.00 0.00 177.39 180.53 1dxv h PRO 114 N 3.32 -0.31 -0.74 3.23 0.13 -1.83 0.18 132.00 135.98 1dxv h PRO 114 Ca 0.14 0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.26 1dxv h PRO 114 Cb 0.62 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.79 1dxv h PRO 114 CO 0.76 -0.21 0.36 0.00 -0.23 0.00 0.00 178.00 178.68 1dxv h ALA 115 N 0.17 0.96 0.02 -0.56 0.00 -1.94 -3.19 119.26 114.73 1dxv h ALA 115 Ca 0.11 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 1dxv h ALA 115 Cb 0.57 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1dxv h ALA 115 CO -0.65 0.52 -1.03 0.93 0.00 0.00 0.00 179.25 179.03 1dxv h GLU 116 N 1.04 0.05 -3.11 0.00 4.39 -1.87 -3.39 114.58 111.70 1dxv h GLU 116 Ca 0.26 -0.09 -0.34 0.00 0.34 0.00 0.00 59.36 59.53 1dxv h GLU 116 Cb 0.12 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1dxv h GLU 116 CO -0.03 1.03 2.03 0.34 -1.16 0.00 0.00 179.01 181.22 1dxv n PHE 117 N -3.40 1.11 -1.76 4.33 7.35 0.02 -4.72 117.46 120.39 1dxv n PHE 117 Ca -0.02 -1.81 -0.30 0.00 -0.76 0.00 0.00 57.45 54.57 1dxv n PHE 117 Cb 0.94 -1.62 0.08 0.00 0.35 0.00 0.00 39.48 39.23 1dxv n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1dxv s THR 118 N 2.83 2.85 0.23 -2.13 -4.23 -1.26 -4.75 115.64 109.19 1dxv s THR 118 Ca 0.43 0.28 -0.06 0.00 -1.18 0.00 0.00 61.69 61.16 1dxv s THR 118 Cb 0.14 -3.18 0.19 0.00 1.34 0.00 0.00 72.50 70.99 1dxv s THR 118 CO -0.03 -0.36 1.77 -0.65 -0.54 0.00 0.00 174.62 174.81 1dxv h PRO 119 N -0.96 0.58 -0.66 3.99 0.11 -1.99 0.26 132.00 133.33 1dxv h PRO 119 Ca -0.46 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1dxv h PRO 119 Cb 1.28 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1dxv h PRO 119 CO 0.63 0.39 0.34 0.00 -0.21 0.00 0.00 178.00 179.14 1dxv h ALA 120 N 1.46 0.85 -0.32 -0.75 0.00 -1.96 -1.27 119.26 117.27 1dxv h ALA 120 Ca 0.37 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1dxv h ALA 120 Cb 0.43 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1dxv h ALA 120 CO -0.29 0.40 -0.44 0.28 0.00 0.00 0.00 179.25 179.19 1dxv h VAL 121 N 0.91 1.28 -0.43 0.00 2.07 -1.64 -2.33 116.25 116.11 1dxv h VAL 121 Ca 0.23 -1.62 0.04 0.00 0.82 0.00 0.00 66.70 66.17 1dxv h VAL 121 Cb 0.09 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1dxv h VAL 121 CO -0.03 0.53 0.19 -0.74 0.02 0.00 0.00 177.57 177.54 1dxv h HIS 122 N 0.67 0.34 -0.56 1.57 6.17 -0.29 -0.66 115.15 122.39 1dxv h HIS 122 Ca 0.04 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.12 1dxv h HIS 122 Cb 1.02 -0.09 -0.03 0.00 2.52 0.00 0.00 27.41 30.83 1dxv h HIS 122 CO 0.06 0.16 0.25 0.00 0.71 0.00 0.00 177.93 179.11 1dxv h ALA 123 N 1.25 0.73 -0.65 5.26 0.00 -1.07 -1.37 119.26 123.40 1dxv h ALA 123 Ca 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1dxv h ALA 123 Cb 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1dxv h ALA 123 CO -0.16 0.32 0.24 0.77 0.00 0.00 0.00 179.25 180.42 1dxv h SER 124 N 0.77 0.92 -0.61 0.00 0.02 -0.91 -1.96 113.55 111.78 1dxv h SER 124 Ca 0.19 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1dxv h SER 124 Cb 0.16 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1dxv h SER 124 CO -0.02 0.86 0.04 -0.07 -1.14 0.00 0.00 176.83 176.50 1dxv h LEU 125 N 0.93 1.04 -0.40 5.07 3.38 -0.90 -0.77 115.31 123.66 1dxv h LEU 125 Ca 0.22 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1dxv h LEU 125 Cb 0.24 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1dxv h LEU 125 CO -0.01 1.07 0.14 -0.78 0.09 0.00 0.00 178.44 178.94 1dxv h ASP 126 N 0.99 0.58 -0.47 -0.43 3.58 -0.97 -0.39 116.42 119.31 1dxv h ASP 126 Ca 0.18 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1dxv h ASP 126 Cb 0.51 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 1dxv h ASP 126 CO 0.02 0.62 0.21 0.11 -2.88 0.00 0.00 179.24 177.32 1dxv h LYS 127 N 0.51 0.68 -0.01 0.28 1.57 -1.19 -1.86 116.57 116.54 1dxv h LYS 127 Ca 0.13 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1dxv h LYS 127 Cb 0.24 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1dxv h LYS 127 CO -0.01 0.60 -0.13 0.35 -0.57 0.00 0.00 179.45 179.69 1dxv h PHE 128 N 0.61 -0.32 -0.52 -1.35 3.57 -0.85 -0.31 116.94 117.77 1dxv h PHE 128 Ca 0.16 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1dxv h PHE 128 Cb 0.15 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1dxv h PHE 128 CO -0.00 -0.19 0.24 -0.07 -2.23 0.00 0.00 178.31 176.06 1dxv h LEU 129 N -0.21 0.66 -0.85 0.59 3.38 -0.95 0.54 115.31 118.48 1dxv h LEU 129 Ca 0.05 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1dxv h LEU 129 Cb 0.27 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1dxv h LEU 129 CO -0.13 0.57 -0.04 0.00 0.09 0.00 0.00 178.44 178.93 1dxv h ALA 130 N 1.53 1.04 -0.19 1.53 0.00 -0.91 1.00 119.26 123.26 1dxv h ALA 130 Ca 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1dxv h ALA 130 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1dxv h ALA 130 CO -0.02 0.59 0.02 0.77 0.00 0.00 0.00 179.25 180.61 1dxv h SER 131 N 0.75 0.31 -0.50 0.00 0.02 -0.18 0.52 113.55 114.47 1dxv h SER 131 Ca 0.14 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1dxv h SER 131 Cb 0.51 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1dxv h SER 131 CO 0.03 0.51 0.32 0.58 -1.14 0.00 0.00 176.83 177.12 1dxv h VAL 132 N 0.11 1.14 -0.67 2.27 2.07 -0.65 -1.93 116.25 118.59 1dxv h VAL 132 Ca 0.06 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.33 1dxv h VAL 132 Cb 0.33 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1dxv h VAL 132 CO 0.01 0.14 0.42 0.28 0.02 0.00 0.00 177.57 178.43 1dxv h SER 133 N 0.67 0.70 -0.50 0.57 0.02 -0.63 -0.76 113.55 113.63 1dxv h SER 133 Ca 0.18 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1dxv h SER 133 Cb -0.05 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1dxv h SER 133 CO -0.04 0.49 0.32 0.74 -1.14 0.00 0.00 176.83 177.21 1dxv h THR 134 N 0.84 1.14 0.03 -2.27 2.02 -0.60 -2.74 112.91 111.32 1dxv h THR 134 Ca 0.26 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1dxv h THR 134 Cb -0.01 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1dxv h THR 134 CO -0.09 0.13 -0.02 0.58 0.37 0.00 0.00 175.52 176.49 1dxv h VAL 135 N 0.67 1.01 0.00 3.16 2.07 -0.94 -1.69 116.25 120.53 1dxv h VAL 135 Ca 0.18 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1dxv h VAL 135 Cb -0.06 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1dxv h VAL 135 CO -0.04 0.03 0.01 -0.07 0.02 0.00 0.00 177.57 177.52 1dxv h LEU 136 N -0.10 0.00 -1.52 2.57 3.38 -0.96 -2.03 115.31 116.65 1dxv h LEU 136 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dxv h LEU 136 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1dxv h LEU 136 CO 0.01 0.00 0.00 1.07 0.09 0.00 0.00 178.44 179.61 1dxv n THR 137 N -3.02 0.12 -0.21 0.22 5.66 -1.05 -4.48 114.28 111.53 1dxv n THR 137 Ca -0.03 -0.56 0.14 0.00 -3.05 0.00 0.00 64.05 60.55 1dxv n THR 137 Cb 0.08 1.09 0.45 0.00 -1.55 0.00 0.00 70.33 70.39 1dxv n THR 137 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1dxv h SER 138 N 1.60 0.51 -0.34 1.09 0.02 -0.53 -2.87 113.55 113.02 1dxv h SER 138 Ca 0.00 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1dxv h SER 138 Cb 0.38 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1dxv h SER 138 CO 0.00 0.26 0.01 0.29 -1.14 0.00 0.00 176.83 176.25 1dxv n LYS 139 N -4.51 3.22 -0.09 3.45 5.02 -1.26 -4.64 118.16 119.36 1dxv n LYS 139 Ca 0.16 -2.93 -0.01 0.00 -2.02 0.00 0.00 58.31 53.51 1dxv n LYS 139 Cb 0.51 -1.93 0.26 0.00 -0.02 0.00 0.00 35.03 33.84 1dxv n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1dxv h TYR 140 N 2.15 0.73 0.00 2.13 -1.99 -1.83 -3.46 116.97 114.70 1dxv h TYR 140 Ca 0.03 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1dxv h TYR 140 Cb 1.59 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 40.10 1dxv h TYR 140 CO 0.66 0.60 0.00 2.89 -0.00 0.00 0.00 178.16 182.31