#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bgd s PRO 11 N 0.00 4.03 0.40 3.23 0.04 -1.26 -4.89 135.00 136.55 1bgd s PRO 11 Ca 0.00 2.34 0.20 0.00 0.04 0.00 0.00 61.00 63.58 1bgd s PRO 11 Cb 0.00 -2.86 1.14 0.00 0.04 0.00 0.00 34.50 32.82 1bgd s PRO 11 CO 0.00 -0.51 1.75 0.37 0.04 0.00 0.00 177.00 178.65 1bgd h GLN 12 N 2.84 0.35 0.00 4.56 5.75 -1.99 -0.68 115.11 125.93 1bgd h GLN 12 Ca -0.50 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 57.91 1bgd h GLN 12 Cb 1.24 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 1bgd h GLN 12 CO 0.63 0.23 -0.34 0.66 -2.65 0.00 0.00 178.83 177.36 1bgd h SER 13 N 0.36 0.00 -0.12 -0.69 4.64 -1.98 0.35 113.55 116.11 1bgd h SER 13 Ca 0.63 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.87 1bgd h SER 13 Cb 1.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1bgd h SER 13 CO -0.33 0.34 -0.23 0.15 -0.87 0.00 0.00 176.83 175.90 1bgd h PHE 14 N 0.00 0.46 -0.72 4.77 3.57 -1.49 -0.18 116.94 123.35 1bgd h PHE 14 Ca -0.00 -0.16 0.01 0.00 3.53 0.00 0.00 57.97 61.34 1bgd h PHE 14 Cb 0.62 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1bgd h PHE 14 CO 0.00 0.84 0.47 -0.07 -2.23 0.00 0.00 178.31 177.32 1bgd h LEU 15 N -0.06 0.81 -0.35 0.59 -0.00 -1.12 0.17 115.31 115.36 1bgd h LEU 15 Ca 0.01 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 57.82 1bgd h LEU 15 Cb 0.81 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.26 1bgd h LEU 15 CO 0.05 0.58 0.05 0.25 -0.00 0.00 0.00 178.44 179.37 1bgd h LEU 16 N 0.96 0.55 -0.78 1.67 5.85 -0.97 0.76 115.31 123.35 1bgd h LEU 16 Ca 0.27 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1bgd h LEU 16 Cb -0.09 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1bgd h LEU 16 CO -0.07 0.68 0.05 0.50 -0.34 0.00 0.00 178.44 179.26 1bgd h LYS 17 N 0.41 0.97 -0.40 1.25 3.64 -0.56 -2.22 116.57 119.66 1bgd h LYS 17 Ca 0.10 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1bgd h LYS 17 Cb 0.37 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1bgd h LYS 17 CO 0.01 0.93 0.16 0.00 -2.27 0.00 0.00 179.45 178.27 1bgd h LEU 19 N 0.50 -0.33 -0.97 0.00 5.85 -0.66 -0.60 115.31 119.11 1bgd h LEU 19 Ca 0.13 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1bgd h LEU 19 Cb 0.19 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1bgd h LEU 19 CO -0.01 -0.13 0.58 -0.33 -0.34 0.00 0.00 178.44 178.21 1bgd h GLU 20 N -0.10 1.29 -0.10 1.25 3.07 -1.22 -1.75 114.58 117.03 1bgd h GLU 20 Ca 0.10 -0.11 -0.24 0.00 -0.50 0.00 0.00 59.36 58.61 1bgd h GLU 20 Cb 0.24 -0.27 0.01 0.00 -0.84 0.00 0.00 28.75 27.89 1bgd h GLU 20 CO -0.22 0.90 -0.87 1.96 -1.40 0.00 0.00 179.01 179.37 1bgd h GLN 21 N 1.31 0.74 -0.28 2.33 4.20 -0.59 -2.79 115.11 120.03 1bgd h GLN 21 Ca 0.34 -0.67 -0.15 0.00 0.06 0.00 0.00 58.65 58.23 1bgd h GLN 21 Cb -0.07 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1bgd h GLN 21 CO -0.07 1.26 -0.42 1.98 -0.67 0.00 0.00 178.83 180.92 1bgd h MET 22 N 0.48 0.79 0.00 1.46 4.05 -1.09 -2.00 114.93 118.62 1bgd h MET 22 Ca -0.08 -0.47 -0.03 0.00 -0.28 0.00 0.00 59.70 58.84 1bgd h MET 22 Cb 1.51 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 32.34 1bgd h MET 22 CO 0.17 1.10 -0.17 0.00 0.23 0.00 0.00 176.91 178.24 1bgd h ARG 23 N 0.54 0.00 -0.04 0.39 2.47 -1.34 0.10 114.38 116.51 1bgd h ARG 23 Ca 0.03 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.66 1bgd h ARG 23 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1bgd h ARG 23 CO 0.10 0.17 -0.31 -0.22 0.56 0.00 0.00 179.97 180.27 1bgd h LYS 24 N 0.00 0.28 -0.47 0.04 3.64 -1.29 -1.32 116.57 117.44 1bgd h LYS 24 Ca -0.00 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1bgd h LYS 24 Cb 0.38 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1bgd h LYS 24 CO 0.02 0.91 0.20 0.28 -2.27 0.00 0.00 179.45 178.60 1bgd h VAL 25 N -0.27 1.17 -0.54 2.00 2.07 -1.04 0.17 116.25 119.82 1bgd h VAL 25 Ca -0.03 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 1bgd h VAL 25 Cb 0.99 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1bgd h VAL 25 CO 0.06 0.20 -0.01 1.56 0.02 0.00 0.00 177.57 179.40 1bgd h GLN 26 N 0.66 0.96 -0.28 1.57 4.20 -0.82 -1.82 115.11 119.59 1bgd h GLN 26 Ca 0.16 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 1bgd h GLN 26 Cb 0.11 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1bgd h GLN 26 CO -0.02 0.98 0.03 0.00 -0.67 0.00 0.00 178.83 179.15 1bgd h ALA 27 N 0.95 0.37 -0.70 3.87 0.00 0.09 -1.28 119.26 122.56 1bgd h ALA 27 Ca 0.15 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1bgd h ALA 27 Cb 0.55 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1bgd h ALA 27 CO 0.03 0.07 0.46 -0.44 0.00 0.00 0.00 179.25 179.37 1bgd h ASP 28 N 0.27 0.46 0.32 0.00 3.32 -0.67 -1.65 116.42 118.48 1bgd h ASP 28 Ca 0.08 0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.90 1bgd h ASP 28 Cb 0.36 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.84 1bgd h ASP 28 CO 0.01 0.26 -1.05 1.23 -1.72 0.00 0.00 179.24 177.97 1bgd h GLY 29 N 0.50 0.50 1.74 2.75 0.00 -0.70 -2.82 103.07 105.04 1bgd h GLY 29 Ca 0.33 -0.96 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 1bgd h GLY 29 CO -0.11 0.85 -0.32 -0.84 0.00 0.00 0.00 176.54 176.13 1bgd h THR 30 N 0.23 1.27 0.01 4.70 2.02 -0.35 -1.13 112.91 119.66 1bgd h THR 30 Ca -0.11 -1.31 -0.00 0.00 0.77 0.00 0.00 66.41 65.75 1bgd h THR 30 Cb 1.71 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1bgd h THR 30 CO 0.19 0.40 -0.00 0.00 0.37 0.00 0.00 175.52 176.47 1bgd h ALA 31 N 1.41 -0.01 -0.51 6.16 0.00 -1.35 0.77 119.26 125.74 1bgd h ALA 31 Ca 0.03 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1bgd h ALA 31 Cb 0.69 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1bgd h ALA 31 CO 0.05 -0.41 0.20 1.25 0.00 0.00 0.00 179.25 180.34 1bgd h LEU 32 N -0.20 0.23 -0.52 0.00 7.12 -1.29 -2.30 115.31 118.34 1bgd h LEU 32 Ca -0.00 0.05 -0.08 0.00 0.13 0.00 0.00 57.88 57.99 1bgd h LEU 32 Cb 0.20 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.34 1bgd h LEU 32 CO 0.00 0.16 0.03 1.56 -0.13 0.00 0.00 178.44 180.06 1bgd h GLN 33 N 0.39 0.89 -0.21 1.25 4.20 -0.94 -2.42 115.11 118.28 1bgd h GLN 33 Ca 0.24 -0.27 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 1bgd h GLN 33 Cb 0.24 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1bgd h GLN 33 CO -0.23 0.90 -0.37 0.93 -0.67 0.00 0.00 178.83 179.39 1bgd h GLU 34 N 0.76 0.46 0.37 1.46 5.08 -0.61 -2.58 114.58 119.53 1bgd h GLU 34 Ca 0.15 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1bgd h GLU 34 Cb 0.48 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1bgd h GLU 34 CO 0.02 0.77 -0.18 1.15 -1.00 0.00 0.00 179.01 179.77 1bgd h THR 35 N 0.39 0.00 0.00 1.13 2.02 -1.33 -2.34 112.91 112.78 1bgd h THR 35 Ca 0.04 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1bgd h THR 35 Cb 0.83 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1bgd h THR 35 CO 0.07 0.00 0.30 -0.07 0.37 0.00 0.00 175.52 176.19 1bgd h LEU 36 N -0.60 0.00 0.01 2.58 3.38 -1.49 0.25 115.31 119.43 1bgd h LEU 36 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1bgd h LEU 36 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1bgd h LEU 36 CO 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 178.44 178.61 1bgd h ALA 38 N -0.11 -0.21 0.00 0.00 0.00 -0.56 0.13 119.26 118.52 1bgd h ALA 38 Ca -0.00 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1bgd h ALA 38 Cb 0.81 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1bgd h ALA 38 CO 0.00 -0.68 -0.32 1.15 0.00 0.00 0.00 179.25 179.40 1bgd h THR 39 N -0.29 0.80 0.00 0.00 2.02 -1.15 -3.37 112.91 110.91 1bgd h THR 39 Ca 0.08 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 65.90 1bgd h THR 39 Cb 0.40 1.83 -0.04 0.00 -1.74 0.00 0.00 68.15 68.60 1bgd h THR 39 CO -0.23 0.31 -0.23 1.41 0.37 0.00 0.00 175.52 177.15 1bgd n HIS 40 N -3.54 0.00 -0.98 3.16 -0.00 -0.80 -5.01 115.22 108.06 1bgd n HIS 40 Ca -0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 1bgd n HIS 40 Cb 0.46 0.17 0.00 0.00 -0.00 0.00 0.00 29.99 30.62 1bgd n HIS 40 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1bgd n GLN 41 N 0.03 -1.65 -2.45 -0.41 3.00 0.45 -4.86 117.38 111.49 1bgd n GLN 41 Ca -0.03 0.41 -0.43 0.00 -0.01 0.00 0.00 57.00 56.95 1bgd n GLN 41 Cb 0.61 -4.69 0.00 0.00 0.00 0.00 0.00 30.24 26.16 1bgd n GLN 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1bgd n LEU 42 N 0.00 5.26 -0.16 1.08 4.32 -1.14 -4.62 117.00 121.74 1bgd n LEU 42 Ca 0.00 -3.96 0.03 0.00 -0.02 0.00 0.00 56.01 52.06 1bgd n LEU 42 Cb 0.41 -1.73 0.00 0.00 -1.62 0.00 0.00 43.42 40.48 1bgd n LEU 42 CO 0.00 0.31 0.20 0.00 -1.22 0.00 0.00 177.39 176.68 1bgd s HIS 44 N -1.01 2.70 0.40 0.00 3.76 -1.26 -4.92 115.29 114.96 1bgd s HIS 44 Ca 0.06 -2.80 0.32 0.00 -0.15 0.00 0.00 55.06 52.49 1bgd s HIS 44 Cb 0.05 -2.42 1.62 0.00 1.11 0.00 0.00 32.58 32.94 1bgd s HIS 44 CO 0.16 -0.78 2.11 -1.00 -0.85 0.00 0.00 174.74 174.38 1bgd h PRO 45 N 6.78 0.00 -0.63 8.40 0.13 -1.91 0.11 132.00 144.87 1bgd h PRO 45 Ca -0.05 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.26 1bgd h PRO 45 Cb 0.92 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.03 1bgd h PRO 45 CO 0.58 0.07 0.46 0.93 -0.23 0.00 0.00 178.00 179.81 1bgd h GLU 46 N 0.00 0.00 0.00 0.86 3.07 -1.98 -0.77 114.58 115.76 1bgd h GLU 46 Ca -0.00 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.67 1bgd h GLU 46 Cb 0.31 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 1bgd h GLU 46 CO 0.01 0.00 -1.07 1.05 -1.40 0.00 0.00 179.01 177.60 1bgd h GLU 47 N 0.00 0.00 -0.02 2.33 4.11 -1.20 -3.35 114.58 116.44 1bgd h GLU 47 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.73 1bgd h GLU 47 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1bgd h GLU 47 CO -0.00 0.68 0.00 1.28 0.07 0.00 0.00 179.01 181.04 1bgd n LEU 48 N -3.20 0.30 -0.15 3.06 4.32 -0.30 -4.20 117.00 116.84 1bgd n LEU 48 Ca -0.04 -0.12 -0.07 0.00 -0.02 0.00 0.00 56.01 55.76 1bgd n LEU 48 Cb 0.90 -0.02 0.01 0.00 -1.62 0.00 0.00 43.42 42.70 1bgd n LEU 48 CO 0.44 0.06 1.05 0.58 -1.22 0.00 0.00 177.39 178.31 1bgd h VAL 49 N 0.42 1.09 -0.73 4.08 2.07 -1.70 0.18 116.25 121.67 1bgd h VAL 49 Ca 0.00 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1bgd h VAL 49 Cb 0.09 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1bgd h VAL 49 CO 0.00 0.11 0.38 0.25 0.02 0.00 0.00 177.57 178.33 1bgd h LEU 50 N 0.59 0.92 -0.57 2.57 7.12 -1.90 -0.99 115.31 123.05 1bgd h LEU 50 Ca 0.17 -0.11 -0.12 0.00 0.13 0.00 0.00 57.88 57.95 1bgd h LEU 50 Cb -0.04 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 39.83 1bgd h LEU 50 CO -0.05 0.77 -0.18 0.25 -0.13 0.00 0.00 178.44 179.10 1bgd h LEU 51 N 1.01 0.97 -0.50 2.25 5.85 -1.64 0.21 115.31 123.45 1bgd h LEU 51 Ca 0.25 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.69 1bgd h LEU 51 Cb 0.07 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 1bgd h LEU 51 CO -0.04 1.12 0.19 1.23 -0.34 0.00 0.00 178.44 180.61 1bgd h GLY 52 N 0.92 0.68 0.70 3.75 0.00 0.09 0.35 103.07 109.55 1bgd h GLY 52 Ca 0.12 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.39 1bgd h GLY 52 CO 0.06 0.02 0.32 0.84 0.00 0.00 0.00 176.54 177.78 1bgd h HIS 53 N 0.38 0.58 -0.69 5.60 -0.00 -0.75 0.91 115.15 121.18 1bgd h HIS 53 Ca 0.24 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.60 1bgd h HIS 53 Cb 0.24 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 1bgd h HIS 53 CO -0.15 0.28 0.30 0.00 -0.00 0.00 0.00 177.93 178.36 1bgd h ALA 54 N 1.31 0.89 0.00 5.26 0.00 0.52 -3.27 119.26 123.97 1bgd h ALA 54 Ca 0.26 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1bgd h ALA 54 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1bgd h ALA 54 CO -0.17 0.48 -0.45 -0.07 0.00 0.00 0.00 179.25 179.04 1bgd h LEU 55 N 0.97 0.00 -0.13 0.00 3.38 0.11 -3.47 115.31 116.17 1bgd h LEU 55 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1bgd h LEU 55 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1bgd h LEU 55 CO -0.02 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.57 1bgd n GLY 56 N 0.04 1.10 3.46 0.83 0.00 0.17 -4.54 105.19 106.24 1bgd n GLY 56 Ca -0.01 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 1bgd n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bgd s ILE 57 N -2.13 4.88 1.05 -0.61 1.01 -0.90 -4.41 121.20 120.08 1bgd s ILE 57 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 1bgd s ILE 57 Cb 0.00 -4.27 0.22 0.00 0.01 0.00 0.00 42.46 38.42 1bgd s ILE 57 CO 0.00 -0.76 1.07 -2.84 0.00 0.00 0.00 174.94 172.41 1bgd s PRO 58 N 2.63 -0.01 -0.33 2.79 0.02 -1.26 -4.75 135.00 134.10 1bgd s PRO 58 Ca 0.16 0.74 -0.00 0.00 0.02 0.00 0.00 61.00 61.92 1bgd s PRO 58 Cb -0.18 -1.67 0.13 0.00 0.02 0.00 0.00 34.50 32.80 1bgd s PRO 58 CO 0.13 -3.08 0.24 -1.14 -0.33 0.00 0.00 177.00 172.82 1bgd s GLN 59 N -4.74 0.45 -0.22 5.54 0.74 -1.26 -5.09 119.66 115.08 1bgd s GLN 59 Ca 0.66 -0.85 -0.41 0.00 0.05 0.00 0.00 55.36 54.81 1bgd s GLN 59 Cb -0.21 -1.03 -0.18 0.00 1.10 0.00 0.00 33.01 32.69 1bgd s GLN 59 CO 0.60 -1.14 1.53 -2.30 -0.55 0.00 0.00 175.29 173.43 1bgd n PRO 60 N 4.56 0.67 -2.38 1.67 -0.02 -1.26 -4.95 135.00 133.29 1bgd n PRO 60 Ca 0.05 0.25 -0.41 0.00 -2.02 0.00 0.00 63.50 61.37 1bgd n PRO 60 Cb 0.41 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 1bgd n PRO 60 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1bgd s PRO 61 N 2.27 4.47 -0.55 0.52 0.04 -1.26 -4.98 135.00 135.50 1bgd s PRO 61 Ca 0.96 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.88 1bgd s PRO 61 Cb -1.19 -3.28 0.40 0.00 0.04 0.00 0.00 34.50 30.47 1bgd s PRO 61 CO 0.65 -0.16 1.31 1.28 0.04 0.00 0.00 177.00 180.13 1bgd n LEU 62 N 3.04 5.37 -0.05 -3.56 4.77 -1.26 -4.73 117.00 120.58 1bgd n LEU 62 Ca 0.06 -5.17 -0.12 0.00 -0.03 0.00 0.00 56.01 50.75 1bgd n LEU 62 Cb 0.45 -0.62 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1bgd n LEU 62 CO 0.56 2.14 0.73 0.77 -1.33 0.00 0.00 177.39 180.26 1bgd h SER 63 N 2.73 0.25 0.14 -1.43 4.64 -1.94 -1.59 113.55 116.35 1bgd h SER 63 Ca 0.35 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1bgd h SER 63 Cb 0.68 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1bgd h SER 63 CO 0.98 0.52 0.00 -1.20 -0.87 0.00 0.00 176.83 176.26 1bgd n SER 64 N -4.75 0.00 -0.98 4.97 7.64 -1.26 -0.23 113.62 119.01 1bgd n SER 64 Ca -0.06 0.08 0.11 0.00 1.01 0.00 0.00 58.87 60.01 1bgd n SER 64 Cb 0.22 -0.24 0.14 0.00 -1.01 0.00 0.00 64.21 63.33 1bgd n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bgd s SER 66 N -1.67 7.10 0.12 0.00 1.04 0.69 -4.67 113.70 116.31 1bgd s SER 66 Ca 0.31 1.31 -0.23 0.00 0.48 0.00 0.00 55.95 57.82 1bgd s SER 66 Cb 0.20 -2.38 -0.05 0.00 0.10 0.00 0.00 66.02 63.88 1bgd s SER 66 CO 0.29 0.24 1.25 -1.20 0.98 0.00 0.00 173.24 174.80 1bgd n SER 67 N 1.85 -0.78 0.00 7.02 7.64 -1.26 -0.14 113.62 127.94 1bgd n SER 67 Ca -0.09 1.43 0.03 0.00 1.01 0.00 0.00 58.87 61.25 1bgd n SER 67 Cb 0.50 -0.23 0.15 0.00 -1.01 0.00 0.00 64.21 63.63 1bgd n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bgd n GLN 68 N -4.77 0.11 -0.38 1.43 3.00 -1.26 -1.67 117.38 113.84 1bgd n GLN 68 Ca 0.01 0.16 0.02 0.00 -0.01 0.00 0.00 57.00 57.19 1bgd n GLN 68 Cb 0.19 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 28.97 1bgd n GLN 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1bgd n ALA 69 N -1.20 2.04 -1.58 -1.58 0.00 0.80 -5.09 120.51 113.90 1bgd n ALA 69 Ca 0.03 -1.39 -0.44 0.00 0.00 0.00 0.00 53.44 51.65 1bgd n ALA 69 Cb 0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 1bgd n ALA 69 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bgd n LEU 70 N -0.36 3.13 -3.71 0.00 4.77 0.30 -4.39 117.00 116.75 1bgd n LEU 70 Ca 0.04 0.23 -0.21 0.00 -0.03 0.00 0.00 56.01 56.04 1bgd n LEU 70 Cb 0.68 -1.52 -0.18 0.00 -2.33 0.00 0.00 43.42 40.07 1bgd n LEU 70 CO 0.00 -0.69 -0.36 -1.10 -1.33 0.00 0.00 177.39 173.92 1bgd s GLN 71 N 6.33 0.20 0.19 3.23 -1.52 -0.91 -5.04 119.66 122.15 1bgd s GLN 71 Ca 1.02 0.25 -0.12 0.00 -1.95 0.00 0.00 55.36 54.55 1bgd s GLN 71 Cb -0.40 -0.75 0.22 0.00 -0.22 0.00 0.00 33.01 31.86 1bgd s GLN 71 CO 0.37 -0.33 1.69 1.25 -0.25 0.00 0.00 175.29 178.01 1bgd h LEU 72 N 8.39 -0.15 -1.18 2.90 5.85 -1.93 0.17 115.31 129.36 1bgd h LEU 72 Ca -0.15 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1bgd h LEU 72 Cb 1.12 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 1bgd h LEU 72 CO 0.20 -0.05 0.23 -0.03 -0.34 0.00 0.00 178.44 178.45 1bgd h MET 73 N 0.16 0.80 0.04 1.25 4.05 -1.96 -1.54 114.93 117.73 1bgd h MET 73 Ca 0.27 -0.12 -0.18 0.00 -0.28 0.00 0.00 59.70 59.39 1bgd h MET 73 Cb 0.41 -0.14 0.02 0.00 -0.80 0.00 0.00 31.60 31.08 1bgd h MET 73 CO -0.41 0.66 -0.74 0.78 0.23 0.00 0.00 176.91 177.43 1bgd h GLY 74 N 0.92 0.48 0.95 1.39 0.00 -1.29 -0.87 103.07 104.65 1bgd h GLY 74 Ca 0.19 -0.92 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 1bgd h GLY 74 CO -0.02 0.81 0.05 0.00 0.00 0.00 0.00 176.54 177.38 1bgd h LEU 76 N 0.06 1.08 -0.68 0.00 3.38 -1.29 0.72 115.31 118.58 1bgd h LEU 76 Ca 0.03 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1bgd h LEU 76 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1bgd h LEU 76 CO -0.01 0.88 -0.62 0.03 0.09 0.00 0.00 178.44 178.81 1bgd h ARG 77 N 1.20 0.00 -0.09 1.13 3.08 -1.00 -1.17 114.38 117.53 1bgd h ARG 77 Ca 0.30 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.26 1bgd h ARG 77 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1bgd h ARG 77 CO -0.05 0.62 -0.31 1.96 -1.07 0.00 0.00 179.97 181.13 1bgd h GLN 78 N 0.00 0.37 -0.28 0.04 4.20 -0.60 -1.70 115.11 117.13 1bgd h GLN 78 Ca -0.01 -0.28 0.07 0.00 0.06 0.00 0.00 58.65 58.49 1bgd h GLN 78 Cb 1.15 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.90 1bgd h GLN 78 CO 0.08 0.90 -0.27 1.25 -0.67 0.00 0.00 178.83 180.12 1bgd h LEU 79 N -0.09 -0.87 -0.23 1.46 5.85 -0.80 0.91 115.31 121.53 1bgd h LEU 79 Ca -0.01 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1bgd h LEU 79 Cb 0.94 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1bgd h LEU 79 CO 0.07 -0.30 0.07 -0.74 -0.34 0.00 0.00 178.44 177.20 1bgd h HIS 80 N -0.26 0.38 -0.04 1.25 2.76 -1.23 -1.07 115.15 116.94 1bgd h HIS 80 Ca 0.15 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 1bgd h HIS 80 Cb 0.49 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 1bgd h HIS 80 CO -0.44 0.45 -0.17 0.66 -1.30 0.00 0.00 177.93 177.13 1bgd h SER 81 N 0.20 0.06 -0.19 3.26 4.64 -0.72 -0.32 113.55 120.48 1bgd h SER 81 Ca 0.07 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 1bgd h SER 81 Cb 0.25 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1bgd h SER 81 CO -0.00 0.24 -0.06 1.23 -0.87 0.00 0.00 176.83 177.37 1bgd h GLY 82 N 0.61 0.41 1.33 -0.77 0.00 -0.64 -1.77 103.07 102.25 1bgd h GLY 82 Ca 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1bgd h GLY 82 CO 0.02 0.32 0.35 1.41 0.00 0.00 0.00 176.54 178.64 1bgd h LEU 83 N 0.09 0.78 -0.44 3.11 4.07 -0.65 -1.13 115.31 121.14 1bgd h LEU 83 Ca 0.05 -0.06 -0.08 0.00 0.08 0.00 0.00 57.88 57.86 1bgd h LEU 83 Cb 0.53 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 1bgd h LEU 83 CO 0.02 0.63 -0.05 0.15 -1.08 0.00 0.00 178.44 178.11 1bgd h PHE 84 N 0.89 0.90 -0.07 1.13 3.57 -0.99 -0.10 116.94 122.28 1bgd h PHE 84 Ca 0.23 -0.18 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1bgd h PHE 84 Cb 0.02 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 1bgd h PHE 84 CO 0.01 0.89 -0.01 1.25 -2.23 0.00 0.00 178.31 178.22 1bgd h LEU 85 N 0.65 -0.05 -1.71 0.59 6.46 -0.89 -2.07 115.31 118.29 1bgd h LEU 85 Ca 0.12 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.94 1bgd h LEU 85 Cb 0.57 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1bgd h LEU 85 CO 0.03 -0.02 0.27 1.88 -0.62 0.00 0.00 178.44 179.98 1bgd h TYR 86 N 0.00 0.37 -0.72 1.25 0.05 -0.96 0.12 116.97 117.09 1bgd h TYR 86 Ca 0.03 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.83 1bgd h TYR 86 Cb 0.05 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 37.63 1bgd h TYR 86 CO -0.12 0.21 0.48 1.96 -1.05 0.00 0.00 178.16 179.63 1bgd h GLN 87 N 0.38 0.94 -0.18 4.88 4.20 -0.34 -0.04 115.11 124.95 1bgd h GLN 87 Ca 0.17 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1bgd h GLN 87 Cb 0.20 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1bgd h GLN 87 CO -0.04 0.62 -0.02 0.78 -0.67 0.00 0.00 178.83 179.51 1bgd h GLY 88 N 0.97 0.35 0.31 3.46 0.00 -0.29 -1.48 103.07 106.40 1bgd h GLY 88 Ca 0.26 -0.27 0.09 0.00 0.00 0.00 0.00 47.33 47.41 1bgd h GLY 88 CO -0.06 0.25 0.05 1.41 0.00 0.00 0.00 176.54 178.20 1bgd h LEU 89 N 0.06 -0.09 -1.03 3.11 4.07 -0.93 0.14 115.31 120.64 1bgd h LEU 89 Ca 0.05 0.10 -0.06 0.00 0.08 0.00 0.00 57.88 58.04 1bgd h LEU 89 Cb 0.43 0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 1bgd h LEU 89 CO 0.01 -0.01 0.02 -0.07 -1.08 0.00 0.00 178.44 177.31 1bgd h LEU 90 N 0.18 0.68 -0.96 1.67 3.38 -0.90 -1.42 115.31 117.93 1bgd h LEU 90 Ca 0.24 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1bgd h LEU 90 Cb 0.33 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1bgd h LEU 90 CO -0.35 0.73 0.14 -0.61 0.09 0.00 0.00 178.44 178.45 1bgd h GLN 91 N 0.68 0.90 -0.04 1.13 5.75 -0.07 -3.18 115.11 120.27 1bgd h GLN 91 Ca 0.14 -0.19 -0.14 0.00 -0.15 0.00 0.00 58.65 58.31 1bgd h GLN 91 Cb 0.38 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 1bgd h GLN 91 CO 0.01 0.80 -0.62 0.00 -2.65 0.00 0.00 178.83 176.38 1bgd h ALA 92 N 1.29 0.89 0.00 3.38 0.00 0.26 -2.68 119.26 122.39 1bgd h ALA 92 Ca 0.19 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1bgd h ALA 92 Cb 0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1bgd h ALA 92 CO -0.00 0.75 -0.01 -0.07 0.00 0.00 0.00 179.25 179.91 1bgd h LEU 93 N 0.11 0.00 -3.41 0.00 3.38 -1.37 -3.45 115.31 110.58 1bgd h LEU 93 Ca -0.01 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.45 1bgd h LEU 93 Cb 1.11 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.89 1bgd h LEU 93 CO 0.09 0.01 -0.97 0.00 0.09 0.00 0.00 178.44 177.66 1bgd n ALA 94 N -2.15 -2.53 0.00 1.53 0.00 -1.01 -1.73 120.51 114.61 1bgd n ALA 94 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1bgd n ALA 94 Cb 0.11 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.26 1bgd n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bgd n GLY 95 N -1.89 2.87 5.45 0.00 0.00 -1.26 -4.67 105.19 105.69 1bgd n GLY 95 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1bgd n GLY 95 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bgd n ILE 96 N -1.95 0.00 -3.94 -0.61 5.41 -0.71 -2.09 119.36 115.47 1bgd n ILE 96 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 1bgd n ILE 96 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 38.83 1bgd n ILE 96 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1bgd s SER 97 N -3.91 0.17 0.33 4.38 1.04 -1.26 -4.94 113.70 109.51 1bgd s SER 97 Ca 0.00 -0.47 0.10 0.00 0.48 0.00 0.00 55.95 56.07 1bgd s SER 97 Cb 0.00 0.18 1.01 0.00 0.10 0.00 0.00 66.02 67.32 1bgd s SER 97 CO 0.00 -0.42 1.58 -0.65 0.98 0.00 0.00 173.24 174.73 1bgd h PRO 98 N 4.07 0.03 -0.10 4.02 0.11 -1.95 0.31 132.00 138.48 1bgd h PRO 98 Ca -0.32 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.82 1bgd h PRO 98 Cb 1.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1bgd h PRO 98 CO 0.46 0.02 0.09 0.93 -0.21 0.00 0.00 178.00 179.29 1bgd h GLU 99 N 0.03 0.00 0.00 1.05 3.07 -1.97 -2.96 114.58 113.80 1bgd h GLU 99 Ca 0.71 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.55 1bgd h GLU 99 Cb 1.66 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.57 1bgd h GLU 99 CO -0.83 0.00 -1.69 1.28 -1.40 0.00 0.00 179.01 176.37 1bgd n LEU 100 N -4.16 0.00 -0.36 1.33 7.99 0.95 -4.75 117.00 118.01 1bgd n LEU 100 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1bgd n LEU 100 Cb 0.20 0.02 0.15 0.00 -0.11 0.00 0.00 43.42 43.69 1bgd n LEU 100 CO 0.31 0.02 1.28 0.00 -1.51 0.00 0.00 177.39 177.49 1bgd h ALA 101 N 1.30 1.36 -0.71 -1.18 0.00 -0.61 -1.94 119.26 117.49 1bgd h ALA 101 Ca -0.03 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1bgd h ALA 101 Cb 0.75 -0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1bgd h ALA 101 CO 0.00 0.55 0.33 -1.00 0.00 0.00 0.00 179.25 179.13 1bgd h PRO 102 N 1.25 0.53 0.00 0.00 0.13 -1.85 0.16 132.00 132.22 1bgd h PRO 102 Ca 0.39 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.43 1bgd h PRO 102 Cb -0.00 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.00 1bgd h PRO 102 CO -0.12 0.35 -0.26 1.15 -0.23 0.00 0.00 178.00 178.89 1bgd h THR 103 N 0.55 0.92 0.09 1.56 2.02 -1.69 -2.08 112.91 114.28 1bgd h THR 103 Ca 0.36 -0.99 -0.15 0.00 0.77 0.00 0.00 66.41 66.39 1bgd h THR 103 Cb 0.43 1.58 0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1bgd h THR 103 CO -0.30 0.26 -0.66 0.25 0.37 0.00 0.00 175.52 175.44 1bgd h LEU 104 N 0.00 0.42 -0.63 2.58 7.12 -0.83 -2.72 115.31 121.25 1bgd h LEU 104 Ca -0.00 -0.91 0.13 0.00 0.13 0.00 0.00 57.88 57.23 1bgd h LEU 104 Cb 0.56 -0.13 -0.10 0.00 -0.53 0.00 0.00 40.66 40.46 1bgd h LEU 104 CO 0.03 1.29 0.08 0.44 -0.13 0.00 0.00 178.44 180.16 1bgd h ASP 105 N -0.39 -0.11 -0.26 1.25 3.32 -0.37 0.63 116.42 120.48 1bgd h ASP 105 Ca -0.11 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1bgd h ASP 105 Cb 1.47 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 41.22 1bgd h ASP 105 CO 0.12 -0.05 0.15 0.74 -1.72 0.00 0.00 179.24 178.48 1bgd h THR 106 N 0.20 1.11 -0.47 0.35 2.02 -1.39 -0.84 112.91 113.88 1bgd h THR 106 Ca 0.34 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 67.27 1bgd h THR 106 Cb 0.54 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1bgd h THR 106 CO -0.48 0.10 0.31 0.25 0.37 0.00 0.00 175.52 176.08 1bgd h LEU 107 N 0.32 0.52 -0.06 2.58 6.46 -1.10 0.64 115.31 124.66 1bgd h LEU 107 Ca 0.09 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.77 1bgd h LEU 107 Cb 0.03 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 1bgd h LEU 107 CO -0.02 0.37 -0.24 -0.61 -0.62 0.00 0.00 178.44 177.32 1bgd h GLN 108 N 0.61 0.28 -0.28 1.25 4.15 -0.27 -2.03 115.11 118.82 1bgd h GLN 108 Ca 0.18 -0.21 0.04 0.00 0.77 0.00 0.00 58.65 59.42 1bgd h GLN 108 Cb -0.03 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 1bgd h GLN 108 CO -0.04 0.85 0.04 -0.07 -1.93 0.00 0.00 178.83 177.68 1bgd h LEU 109 N -0.23 -0.02 -0.89 -2.39 3.38 -0.36 -1.42 115.31 113.38 1bgd h LEU 109 Ca -0.01 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1bgd h LEU 109 Cb 0.88 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1bgd h LEU 109 CO 0.05 0.02 -0.54 0.44 0.09 0.00 0.00 178.44 178.50 1bgd h ASP 110 N 0.14 0.00 0.11 -0.43 3.32 -0.96 -2.17 116.42 116.43 1bgd h ASP 110 Ca 0.13 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.95 1bgd h ASP 110 Cb 0.15 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.70 1bgd h ASP 110 CO -0.19 0.54 -0.88 0.74 -1.72 0.00 0.00 179.24 177.74 1bgd h THR 111 N 0.00 1.33 -0.49 0.35 2.02 -1.16 -2.72 112.91 112.25 1bgd h THR 111 Ca -0.01 -2.21 -0.04 0.00 0.77 0.00 0.00 66.41 64.93 1bgd h THR 111 Cb 0.98 2.23 -0.02 0.00 -1.74 0.00 0.00 68.15 69.59 1bgd h THR 111 CO 0.07 0.68 0.14 0.74 0.37 0.00 0.00 175.52 177.51 1bgd h THR 112 N 0.36 1.20 -0.45 3.16 2.02 -1.18 -1.72 112.91 116.31 1bgd h THR 112 Ca -0.07 -0.71 -0.13 0.00 0.77 0.00 0.00 66.41 66.26 1bgd h THR 112 Cb 1.50 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1bgd h THR 112 CO 0.16 0.27 -0.23 -0.78 0.37 0.00 0.00 175.52 175.31 1bgd h ASP 113 N 0.71 0.94 -0.41 4.18 3.58 -1.31 -1.34 116.42 122.78 1bgd h ASP 113 Ca 0.16 -0.36 -0.10 0.00 0.42 0.00 0.00 57.03 57.15 1bgd h ASP 113 Cb 0.24 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 1bgd h ASP 113 CO -0.01 1.13 -0.11 0.15 -2.88 0.00 0.00 179.24 177.52 1bgd h PHE 114 N 0.79 0.96 -0.16 0.28 3.57 -1.37 -2.42 116.94 118.59 1bgd h PHE 114 Ca 0.10 -0.19 -0.21 0.00 3.53 0.00 0.00 57.97 61.20 1bgd h PHE 114 Cb 0.79 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 39.29 1bgd h PHE 114 CO 0.05 0.93 -0.74 0.00 -2.23 0.00 0.00 178.31 176.32 1bgd h ALA 115 N 1.08 0.38 -0.75 2.41 0.00 -0.98 -1.85 119.26 119.54 1bgd h ALA 115 Ca 0.13 -0.59 0.10 0.00 0.00 0.00 0.00 54.91 54.55 1bgd h ALA 115 Cb 0.63 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1bgd h ALA 115 CO 0.04 0.69 0.39 0.82 0.00 0.00 0.00 179.25 181.20 1bgd h ILE 116 N 0.52 0.84 -0.50 0.00 2.04 -1.22 -1.46 117.51 117.74 1bgd h ILE 116 Ca -0.04 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1bgd h ILE 116 Cb 1.36 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1bgd h ILE 116 CO 0.15 0.12 0.23 -1.13 0.00 0.00 0.00 178.15 177.52 1bgd h ASN 117 N 0.64 0.66 -0.59 1.72 -0.00 -1.21 0.55 115.58 117.36 1bgd h ASN 117 Ca 0.38 -0.14 -0.02 0.00 -0.00 0.00 0.00 56.30 56.52 1bgd h ASN 117 Cb 0.40 -0.17 -0.03 0.00 -0.00 0.00 0.00 38.32 38.53 1bgd h ASN 117 CO -0.28 0.61 0.28 0.40 -0.00 0.00 0.00 177.43 178.44 1bgd h ILE 118 N 0.66 1.21 -0.24 2.57 1.08 -1.11 -1.92 117.51 119.77 1bgd h ILE 118 Ca 0.17 -0.61 -0.15 0.00 -0.39 0.00 0.00 64.86 63.88 1bgd h ILE 118 Cb 0.13 0.52 -0.00 0.00 -3.07 0.00 0.00 36.82 34.40 1bgd h ILE 118 CO -0.02 0.25 -0.42 -0.25 -0.69 0.00 0.00 178.15 177.02 1bgd h TRP 119 N 0.81 0.89 -0.52 1.37 7.01 -1.09 -2.53 115.95 121.89 1bgd h TRP 119 Ca 0.20 -0.31 0.09 0.00 2.11 0.00 0.00 58.89 60.99 1bgd h TRP 119 Cb 0.13 -0.17 -0.08 0.00 -2.10 0.00 0.00 29.16 26.94 1bgd h TRP 119 CO 0.00 1.09 0.07 0.37 -2.79 0.00 0.00 178.44 177.17 1bgd h GLN 120 N 0.44 0.19 -0.75 2.65 4.15 -0.75 -1.23 115.11 119.81 1bgd h GLN 120 Ca 0.02 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 1bgd h GLN 120 Cb 1.02 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.63 1bgd h GLN 120 CO 0.09 0.12 0.27 0.37 -1.93 0.00 0.00 178.83 177.76 1bgd h GLN 121 N 0.19 1.14 -0.67 1.69 5.75 -1.32 -0.73 115.11 121.16 1bgd h GLN 121 Ca 0.26 -0.22 0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1bgd h GLN 121 Cb 0.38 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.71 1bgd h GLN 121 CO -0.37 0.95 0.43 0.52 -2.65 0.00 0.00 178.83 177.70 1bgd h MET 122 N 1.09 0.82 -0.42 1.69 2.86 -0.93 -1.48 114.93 118.57 1bgd h MET 122 Ca 0.25 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1bgd h MET 122 Cb 0.26 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1bgd h MET 122 CO -0.01 0.54 0.22 0.93 1.06 0.00 0.00 176.91 179.65 1bgd h GLU 123 N 0.85 0.59 -0.54 1.72 5.08 -0.18 -0.47 114.58 121.62 1bgd h GLU 123 Ca 0.26 -0.08 0.16 0.00 -1.00 0.00 0.00 59.36 58.70 1bgd h GLU 123 Cb -0.02 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1bgd h GLU 123 CO -0.09 0.49 0.39 -0.44 -1.00 0.00 0.00 179.01 178.36 1bgd h ASP 124 N 0.54 0.00 -0.39 1.42 3.32 -0.68 0.12 116.42 120.76 1bgd h ASP 124 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1bgd h ASP 124 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1bgd h ASP 124 CO -0.02 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.68 1bgd n LEU 125 N -4.34 3.17 0.00 1.55 4.77 -0.33 -4.93 117.00 116.89 1bgd n LEU 125 Ca 0.10 -1.40 0.00 0.00 -0.03 0.00 0.00 56.01 54.68 1bgd n LEU 125 Cb 0.62 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1bgd n LEU 125 CO 0.37 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1bgd n GLY 126 N 1.45 0.16 1.96 -0.72 0.00 0.43 -4.88 105.19 103.60 1bgd n GLY 126 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 1bgd n GLY 126 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1bgd n MET 127 N -0.77 2.30 -2.22 1.61 0.00 -0.35 -4.90 117.12 112.79 1bgd n MET 127 Ca 0.00 -3.18 -0.29 0.00 0.00 0.00 0.00 57.70 54.23 1bgd n MET 127 Cb 0.23 -2.11 0.01 0.00 0.00 0.00 0.00 33.22 31.35 1bgd n MET 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1bgd s ALA 128 N -3.41 3.23 0.32 3.17 0.00 -1.21 -4.85 121.76 119.01 1bgd s ALA 128 Ca 0.55 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1bgd s ALA 128 Cb 0.46 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1bgd s ALA 128 CO 0.05 -0.58 0.00 -2.30 0.00 0.00 0.00 175.76 172.94 1bgd n PRO 129 N -2.55 3.49 -5.06 0.00 -0.02 -1.26 -4.99 135.00 124.62 1bgd n PRO 129 Ca 0.04 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.20 1bgd n PRO 129 Cb 0.55 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.88 1bgd n PRO 129 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1bgd s THR 137 N 1.56 2.60 -0.16 3.45 -1.32 -1.26 -4.97 115.64 115.54 1bgd s THR 137 Ca 0.00 -0.88 -0.01 0.00 -1.21 0.00 0.00 61.69 59.59 1bgd s THR 137 Cb 0.00 -1.99 -0.00 0.00 -1.51 0.00 0.00 72.50 68.99 1bgd s THR 137 CO 0.00 0.58 -0.13 -0.04 -2.21 0.00 0.00 174.62 172.82 1bgd s MET 138 N -0.44 3.27 0.36 7.08 -1.94 -1.26 -4.99 119.30 121.38 1bgd s MET 138 Ca 0.05 -0.71 -0.23 0.00 -1.71 0.00 0.00 55.69 53.08 1bgd s MET 138 Cb -0.12 -2.70 -0.15 0.00 2.01 0.00 0.00 34.83 33.87 1bgd s MET 138 CO 0.02 -0.00 0.32 -0.35 -0.01 0.00 0.00 175.02 175.00 1bgd n PRO 139 N 4.13 0.18 -3.85 2.03 -0.04 -1.26 -4.99 135.00 131.20 1bgd n PRO 139 Ca -0.19 0.07 -0.36 0.00 -0.04 0.00 0.00 63.50 62.98 1bgd n PRO 139 Cb 0.52 -1.15 -0.13 0.00 -0.04 0.00 0.00 33.50 32.69 1bgd n PRO 139 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bgd s ALA 140 N -1.46 2.91 -0.30 0.55 0.00 -1.26 -4.94 121.76 117.26 1bgd s ALA 140 Ca 0.61 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 1bgd s ALA 140 Cb -0.70 -1.88 0.05 0.00 0.00 0.00 0.00 23.12 20.60 1bgd s ALA 140 CO 0.60 -0.66 -0.01 -0.06 0.00 0.00 0.00 175.76 175.64 1bgd s PHE 141 N 1.47 3.28 -0.14 0.00 0.40 -1.26 -4.98 117.98 116.75 1bgd s PHE 141 Ca 0.04 -1.95 0.17 0.00 -0.60 0.00 0.00 56.93 54.58 1bgd s PHE 141 Cb -0.16 -2.13 -0.24 0.00 0.51 0.00 0.00 43.02 41.00 1bgd s PHE 141 CO -0.01 -0.82 0.15 0.25 0.70 0.00 0.00 175.22 175.49 1bgd n THR 142 N 4.60 0.91 -2.51 0.64 -2.24 -1.26 -4.78 114.28 109.64 1bgd n THR 142 Ca -0.13 -0.67 -0.24 0.00 -2.27 0.00 0.00 64.05 60.73 1bgd n THR 142 Cb 0.43 -0.38 0.04 0.00 -2.10 0.00 0.00 70.33 68.32 1bgd n THR 142 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bgd s SER 143 N -4.94 5.36 0.28 3.42 1.04 -1.26 -4.98 113.70 112.61 1bgd s SER 143 Ca -0.08 0.40 0.13 0.00 0.48 0.00 0.00 55.95 56.87 1bgd s SER 143 Cb 0.07 -1.32 0.30 0.00 0.10 0.00 0.00 66.02 65.18 1bgd s SER 143 CO 0.75 -1.16 1.56 0.00 0.98 0.00 0.00 173.24 175.37 1bgd h ALA 144 N -0.12 0.81 -0.21 5.32 0.00 -1.94 -2.67 119.26 120.44 1bgd h ALA 144 Ca -0.44 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 53.81 1bgd h ALA 144 Cb 1.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1bgd h ALA 144 CO 0.58 0.74 -0.34 0.35 0.00 0.00 0.00 179.25 180.58 1bgd h PHE 145 N 0.00 0.52 0.02 0.00 3.57 -1.98 -0.49 116.94 118.58 1bgd h PHE 145 Ca -0.01 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 1bgd h PHE 145 Cb 1.21 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1bgd h PHE 145 CO 0.00 0.74 -0.01 1.96 -2.23 0.00 0.00 178.31 178.77 1bgd h GLN 146 N 0.39 -0.02 -0.50 1.11 4.20 -1.89 -1.21 115.11 117.19 1bgd h GLN 146 Ca 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1bgd h GLN 146 Cb 0.78 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 1bgd h GLN 146 CO 0.06 0.21 0.23 0.00 -0.67 0.00 0.00 178.83 178.67 1bgd h ARG 147 N -0.25 0.70 -0.23 1.46 3.08 -1.45 0.24 114.38 117.93 1bgd h ARG 147 Ca -0.00 -0.08 -0.17 0.00 0.07 0.00 0.00 59.98 59.80 1bgd h ARG 147 Cb 0.24 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1bgd h ARG 147 CO 0.00 0.55 -0.53 0.00 -1.07 0.00 0.00 179.97 178.92 1bgd h ARG 148 N 0.70 0.66 0.00 0.04 3.08 -0.79 -0.41 114.38 117.66 1bgd h ARG 148 Ca 0.17 -0.41 -0.22 0.00 0.07 0.00 0.00 59.98 59.60 1bgd h ARG 148 Cb 0.09 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1bgd h ARG 148 CO -0.02 1.03 -1.12 0.00 -1.07 0.00 0.00 179.97 178.78 1bgd h ALA 149 N 0.89 0.47 -0.61 0.04 0.00 -1.06 -3.06 119.26 115.92 1bgd h ALA 149 Ca 0.01 -0.99 -0.04 0.00 0.00 0.00 0.00 54.91 53.90 1bgd h ALA 149 Cb 1.09 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1bgd h ALA 149 CO 0.11 1.26 0.23 0.78 0.00 0.00 0.00 179.25 181.63 1bgd h GLY 150 N 3.16 0.99 1.01 0.00 0.00 -0.46 -2.06 103.07 105.72 1bgd h GLY 150 Ca -0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1bgd h GLY 150 CO 0.11 0.52 0.48 -1.33 0.00 0.00 0.00 176.54 176.32 1bgd h GLY 151 N 0.86 1.17 1.93 4.60 0.00 -1.10 -0.81 103.07 109.71 1bgd h GLY 151 Ca 0.20 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 46.88 1bgd h GLY 151 CO -0.01 0.48 -0.73 -2.08 0.00 0.00 0.00 176.54 174.19 1bgd h VAL 152 N 1.10 1.50 0.55 4.60 2.07 -1.42 -2.36 116.25 122.29 1bgd h VAL 152 Ca 0.29 -2.43 -0.03 0.00 0.82 0.00 0.00 66.70 65.35 1bgd h VAL 152 Cb -0.03 2.31 0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1bgd h VAL 152 CO -0.05 0.70 -0.27 -0.07 0.02 0.00 0.00 177.57 177.90 1bgd h LEU 153 N 0.04 -0.63 -0.37 2.57 3.38 -0.96 -2.78 115.31 116.56 1bgd h LEU 153 Ca -0.01 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1bgd h LEU 153 Cb 1.29 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 42.13 1bgd h LEU 153 CO 0.10 -0.23 -0.18 0.58 0.09 0.00 0.00 178.44 178.81 1bgd h VAL 154 N -1.18 0.46 -0.94 1.22 2.07 -1.25 0.84 116.25 117.47 1bgd h VAL 154 Ca -0.08 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.59 1bgd h VAL 154 Cb 0.58 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.74 1bgd h VAL 154 CO 0.13 0.00 0.60 0.00 0.02 0.00 0.00 177.57 178.31 1bgd h ALA 155 N 1.15 1.74 0.00 1.67 0.00 -1.52 0.52 119.26 122.82 1bgd h ALA 155 Ca 0.18 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1bgd h ALA 155 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1bgd h ALA 155 CO -0.44 -0.00 -0.99 0.66 0.00 0.00 0.00 179.25 178.47 1bgd h SER 156 N 0.78 0.00 0.30 0.00 4.64 -0.98 -2.96 113.55 115.32 1bgd h SER 156 Ca 0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.78 1bgd h SER 156 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1bgd h SER 156 CO -0.24 0.18 -0.14 0.78 -0.87 0.00 0.00 176.83 176.53 1bgd h ASN 157 N 0.00 -0.34 -0.84 4.97 2.35 -0.16 -2.93 115.58 118.63 1bgd h ASN 157 Ca -0.04 -0.16 0.18 0.00 -0.55 0.00 0.00 56.30 55.73 1bgd h ASN 157 Cb 1.17 0.09 -0.11 0.00 0.05 0.00 0.00 38.32 39.52 1bgd h ASN 157 CO 0.02 -0.02 0.36 0.25 -1.65 0.00 0.00 177.43 176.39 1bgd h LEU 158 N -0.68 0.34 0.09 1.61 5.85 -1.02 -0.56 115.31 120.93 1bgd h LEU 158 Ca -0.04 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1bgd h LEU 158 Cb 0.47 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1bgd h LEU 158 CO 0.07 0.07 -0.04 1.56 -0.34 0.00 0.00 178.44 179.76 1bgd h GLN 159 N 0.45 -0.11 -0.55 1.25 4.20 -1.49 -1.71 115.11 117.16 1bgd h GLN 159 Ca 0.49 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 59.15 1bgd h GLN 159 Cb 0.83 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 1bgd h GLN 159 CO -0.46 -0.04 0.12 0.77 -0.67 0.00 0.00 178.83 178.56 1bgd h SER 160 N -0.16 0.84 -0.48 1.46 0.02 -1.23 -1.97 113.55 112.03 1bgd h SER 160 Ca -0.01 -0.24 0.09 0.00 -0.84 0.00 0.00 61.79 60.79 1bgd h SER 160 Cb 0.13 -0.22 -0.08 0.00 0.14 0.00 0.00 62.40 62.37 1bgd h SER 160 CO 0.02 0.86 -0.03 0.15 -1.14 0.00 0.00 176.83 176.69 1bgd h PHE 161 N 0.78 -0.09 0.15 3.45 3.57 -0.97 -1.59 116.94 122.24 1bgd h PHE 161 Ca 0.17 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1bgd h PHE 161 Cb 0.36 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1bgd h PHE 161 CO 0.03 -0.13 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.83 1bgd h LEU 162 N 0.08 -0.17 -1.83 0.59 4.07 -1.01 -1.84 115.31 115.21 1bgd h LEU 162 Ca 0.24 -0.19 0.22 0.00 0.08 0.00 0.00 57.88 58.22 1bgd h LEU 162 Cb 0.36 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 1bgd h LEU 162 CO -0.42 0.10 0.69 -0.33 -1.08 0.00 0.00 178.44 177.40 1bgd h GLU 163 N -0.45 0.00 0.08 1.13 4.39 -1.13 -0.76 114.58 117.84 1bgd h GLU 163 Ca -0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1bgd h GLU 163 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1bgd h GLU 163 CO 0.03 0.00 -0.04 1.25 -1.16 0.00 0.00 179.01 179.09 1bgd h LEU 164 N 0.00 -0.10 -1.72 1.33 5.85 -0.66 -3.14 115.31 116.87 1bgd h LEU 164 Ca 0.36 -0.44 0.09 0.00 0.84 0.00 0.00 57.88 58.73 1bgd h LEU 164 Cb 1.74 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.76 1bgd h LEU 164 CO -0.00 0.56 0.36 0.00 -0.34 0.00 0.00 178.44 179.02 1bgd h ALA 165 N -0.39 2.08 -0.20 1.25 0.00 -0.49 -2.38 119.26 119.13 1bgd h ALA 165 Ca -0.01 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1bgd h ALA 165 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1bgd h ALA 165 CO 0.02 -0.20 -0.55 -0.92 0.00 0.00 0.00 179.25 177.60 1bgd h TYR 166 N 0.32 0.93 -0.33 0.00 3.20 -1.29 0.46 116.97 120.26 1bgd h TYR 166 Ca 0.24 -0.37 -0.07 0.00 3.14 0.00 0.00 58.73 61.67 1bgd h TYR 166 Cb 0.54 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1bgd h TYR 166 CO -0.00 1.17 -0.11 0.00 -1.64 0.00 0.00 178.16 177.58 1bgd h ARG 167 N 0.43 0.56 0.42 1.82 -0.00 -1.39 -0.17 114.38 116.06 1bgd h ARG 167 Ca -0.01 -0.16 -0.02 0.00 -0.50 0.00 0.00 59.98 59.28 1bgd h ARG 167 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 31.08 1bgd h ARG 167 CO 0.12 0.66 -0.20 0.00 0.00 0.00 0.00 179.97 180.55 1bgd h ALA 168 N 1.37 -0.57 -0.51 0.04 0.00 -1.34 -2.51 119.26 115.73 1bgd h ALA 168 Ca 0.10 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1bgd h ALA 168 Cb 0.50 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1bgd h ALA 168 CO 0.03 -0.71 0.26 -0.07 0.00 0.00 0.00 179.25 178.75 1bgd h LEU 169 N -0.78 0.36 -1.86 0.00 4.07 -0.77 -1.95 115.31 114.38 1bgd h LEU 169 Ca -0.06 0.03 0.09 0.00 0.08 0.00 0.00 57.88 58.02 1bgd h LEU 169 Cb 0.54 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 1bgd h LEU 169 CO 0.10 0.25 0.28 0.03 -1.08 0.00 0.00 178.44 178.01 1bgd h ARG 170 N 0.50 0.16 0.00 1.13 3.08 -1.01 0.12 114.38 118.36 1bgd h ARG 170 Ca 0.23 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1bgd h ARG 170 Cb 0.15 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1bgd h ARG 170 CO -0.16 0.10 -0.17 0.72 -1.07 0.00 0.00 179.97 179.39 1bgd n HIS 171 N -4.46 0.30 -1.86 3.04 -0.00 -0.77 -3.76 115.22 107.71 1bgd n HIS 171 Ca 0.06 0.09 -0.35 0.00 -0.00 0.00 0.00 57.72 57.51 1bgd n HIS 171 Cb 0.36 -0.58 -0.02 0.00 -0.00 0.00 0.00 29.99 29.75 1bgd n HIS 171 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1bgd n PHE 172 N -1.76 2.25 -0.23 4.41 3.72 0.03 -5.09 117.46 120.79 1bgd n PHE 172 Ca 0.06 -2.42 0.00 0.00 -0.05 0.00 0.00 57.45 55.04 1bgd n PHE 172 Cb 0.37 -1.55 0.00 0.00 -0.94 0.00 0.00 39.48 37.37 1bgd n PHE 172 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71