#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdd n TYR 3 N 0.00 0.00 -1.63 2.13 4.02 -1.26 -5.00 117.16 115.42 1vdd n TYR 3 Ca 0.00 0.00 -0.49 0.00 -0.01 0.00 0.00 57.90 57.40 1vdd n TYR 3 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.27 1vdd n TYR 3 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1vdd n PRO 4 N -2.31 1.86 -0.06 -0.72 -0.04 -1.26 -4.79 135.00 127.68 1vdd n PRO 4 Ca 0.00 0.64 0.25 0.00 -0.04 0.00 0.00 63.50 64.35 1vdd n PRO 4 Cb 0.43 -2.65 0.72 0.00 -0.04 0.00 0.00 33.50 31.95 1vdd n PRO 4 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1vdd h PRO 5 N 10.50 0.00 -0.07 0.54 0.13 -1.99 0.12 132.00 141.24 1vdd h PRO 5 Ca -0.43 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.51 1vdd h PRO 5 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1vdd h PRO 5 CO 0.97 0.00 -0.78 0.77 -0.23 0.00 0.00 178.00 178.73 1vdd h SER 6 N 0.00 0.51 -0.24 1.44 0.02 -1.99 -0.54 113.55 112.75 1vdd h SER 6 Ca 0.33 -0.35 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 1vdd h SER 6 Cb 1.48 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.87 1vdd h SER 6 CO -0.00 1.10 -0.37 0.25 -1.14 0.00 0.00 176.83 176.67 1vdd h LEU 7 N 0.28 0.74 0.60 5.07 6.46 -1.36 -2.28 115.31 124.81 1vdd h LEU 7 Ca -0.04 -0.52 -0.03 0.00 -0.12 0.00 0.00 57.88 57.17 1vdd h LEU 7 Cb 1.37 -0.21 0.01 0.00 -0.73 0.00 0.00 40.66 41.09 1vdd h LEU 7 CO 0.13 1.12 -0.29 0.58 -0.62 0.00 0.00 178.44 179.36 1vdd h VAL 8 N 0.39 0.00 -1.09 1.05 2.07 -1.37 -0.83 116.25 116.47 1vdd h VAL 8 Ca 0.02 -0.08 0.32 0.00 0.82 0.00 0.00 66.70 67.78 1vdd h VAL 8 Cb 0.96 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.61 1vdd h VAL 8 CO 0.09 0.00 0.67 -1.28 0.02 0.00 0.00 177.57 177.07 1vdd h SER 9 N -0.89 0.44 0.14 0.57 0.87 -1.17 0.53 113.55 114.05 1vdd h SER 9 Ca -0.08 0.13 -0.21 0.00 -1.23 0.00 0.00 61.79 60.41 1vdd h SER 9 Cb 0.62 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1vdd h SER 9 CO 0.14 -0.04 -0.79 0.25 -0.53 0.00 0.00 176.83 175.85 1vdd h LEU 10 N 0.32 0.65 0.25 2.23 7.12 -1.24 -2.43 115.31 122.21 1vdd h LEU 10 Ca 0.70 -0.44 -0.01 0.00 0.13 0.00 0.00 57.88 58.25 1vdd h LEU 10 Cb 1.78 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.72 1vdd h LEU 10 CO -0.44 1.21 -0.12 0.40 -0.13 0.00 0.00 178.44 179.37 1vdd h ILE 11 N 0.35 0.80 -0.30 4.05 1.08 0.15 -1.18 117.51 122.45 1vdd h ILE 11 Ca -0.05 -0.27 0.04 0.00 -0.39 0.00 0.00 64.86 64.19 1vdd h ILE 11 Cb 1.40 0.96 -0.07 0.00 -3.07 0.00 0.00 36.82 36.04 1vdd h ILE 11 CO 0.15 0.06 -0.51 -0.09 -0.69 0.00 0.00 178.15 177.07 1vdd h ARG 12 N -0.47 -0.40 -0.98 2.37 2.43 -0.92 0.27 114.38 116.69 1vdd h ARG 12 Ca -0.03 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.27 1vdd h ARG 12 Cb 0.35 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.91 1vdd h ARG 12 CO 0.06 -0.26 0.62 0.93 -1.51 0.00 0.00 179.97 179.81 1vdd h GLU 13 N -0.41 0.96 -0.21 0.20 4.39 -1.42 -2.52 114.58 115.57 1vdd h GLU 13 Ca 0.06 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 1vdd h GLU 13 Cb 0.56 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1vdd h GLU 13 CO -0.50 0.63 -0.46 -0.07 -1.16 0.00 0.00 179.01 177.45 1vdd h LEU 14 N 0.99 0.77 0.00 1.33 3.38 -0.20 -3.01 115.31 118.57 1vdd h LEU 14 Ca 0.47 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1vdd h LEU 14 Cb 0.45 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1vdd h LEU 14 CO -0.23 1.19 0.00 -1.54 0.09 0.00 0.00 178.44 177.94 1vdd n SER 15 N -4.17 0.00 0.07 -0.43 3.41 0.86 -0.90 113.62 112.46 1vdd n SER 15 Ca -0.06 -0.23 -0.01 0.00 -0.26 0.00 0.00 58.87 58.31 1vdd n SER 15 Cb 0.57 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 1vdd n SER 15 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1vdd h ARG 16 N 0.00 0.00 -6.77 4.33 2.43 -1.35 -3.46 114.38 109.56 1vdd h ARG 16 Ca 0.00 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 1vdd h ARG 16 Cb 0.05 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 29.66 1vdd h ARG 16 CO 0.00 0.53 0.76 -0.51 -1.51 0.00 0.00 179.97 179.23 1vdd s LEU 17 N -6.25 4.38 0.20 3.80 1.43 -0.08 -4.94 118.68 117.23 1vdd s LEU 17 Ca 0.00 2.70 -0.31 0.00 -1.03 0.00 0.00 54.13 55.50 1vdd s LEU 17 Cb 0.08 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.57 1vdd s LEU 17 CO 0.79 -0.71 1.55 -2.16 0.23 0.00 0.00 176.35 176.06 1vdd s PRO 18 N -0.60 4.21 0.00 1.29 0.04 -1.26 -2.78 135.00 135.90 1vdd s PRO 18 Ca 0.58 2.39 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1vdd s PRO 18 Cb -0.42 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1vdd s PRO 18 CO 0.45 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.33 1vdd n GLY 19 N 3.22 2.67 3.42 0.56 0.00 -1.26 -5.05 105.19 108.75 1vdd n GLY 19 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1vdd n GLY 19 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vdd s ILE 20 N -2.68 4.00 0.77 -0.61 -4.36 -1.12 -5.06 121.20 112.14 1vdd s ILE 20 Ca 0.00 -0.28 -0.04 0.00 -0.26 0.00 0.00 60.65 60.07 1vdd s ILE 20 Cb 0.00 -2.85 0.14 0.00 1.25 0.00 0.00 42.46 41.00 1vdd s ILE 20 CO 0.00 0.38 1.06 -0.83 0.24 0.00 0.00 174.94 175.79 1vdd s GLY 21 N 1.42 1.76 0.16 6.27 0.00 -1.26 -4.59 107.32 111.08 1vdd s GLY 21 Ca 0.05 -1.55 -0.28 0.00 0.00 0.00 0.00 44.72 42.94 1vdd s GLY 21 CO 0.01 -0.96 1.56 -2.55 0.00 0.00 0.00 173.10 171.17 1vdd h PRO 22 N -0.75 -0.27 0.13 2.90 0.11 -1.97 0.56 132.00 132.71 1vdd h PRO 22 Ca -0.39 0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.76 1vdd h PRO 22 Cb 1.26 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.40 1vdd h PRO 22 CO 0.41 -0.18 -0.30 -0.22 -0.21 0.00 0.00 178.00 177.50 1vdd h LYS 23 N -0.28 -0.51 -1.00 1.05 3.64 -2.00 -0.14 116.57 117.33 1vdd h LYS 23 Ca 0.14 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.68 1vdd h LYS 23 Cb 0.57 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.42 1vdd h LYS 23 CO -0.66 -0.34 0.62 1.03 -2.27 0.00 0.00 179.45 177.84 1vdd h SER 24 N -0.53 0.91 -0.13 4.20 0.87 -1.69 -1.18 113.55 116.00 1vdd h SER 24 Ca 0.03 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1vdd h SER 24 Cb 0.56 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1vdd h SER 24 CO -0.17 0.47 0.01 0.00 -0.53 0.00 0.00 176.83 176.61 1vdd h ALA 25 N 1.55 0.17 -0.86 6.23 0.00 0.73 -1.89 119.26 125.19 1vdd h ALA 25 Ca 0.50 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.34 1vdd h ALA 25 Cb 0.52 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1vdd h ALA 25 CO -0.28 -0.16 0.51 0.37 0.00 0.00 0.00 179.25 179.69 1vdd h GLN 26 N -0.03 0.82 -0.84 0.00 4.15 -0.21 -1.02 115.11 117.98 1vdd h GLN 26 Ca 0.04 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1vdd h GLN 26 Cb 0.32 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 1vdd h GLN 26 CO 0.00 0.54 0.52 -0.09 -1.93 0.00 0.00 178.83 177.88 1vdd h ARG 27 N 0.85 1.13 -0.05 1.69 2.43 -0.95 -1.98 114.38 117.49 1vdd h ARG 27 Ca 0.41 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.40 1vdd h ARG 27 Cb 0.37 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1vdd h ARG 27 CO -0.24 0.78 -0.41 -0.07 -1.51 0.00 0.00 179.97 178.52 1vdd h LEU 28 N 1.15 0.11 -0.00 3.80 3.38 -0.40 -2.48 115.31 120.87 1vdd h LEU 28 Ca 0.30 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1vdd h LEU 28 Cb -0.07 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1vdd h LEU 28 CO -0.06 0.51 -0.00 0.00 0.09 0.00 0.00 178.44 178.98 1vdd h ALA 29 N 1.50 0.00 0.00 1.53 0.00 -0.62 -1.07 119.26 120.60 1vdd h ALA 29 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1vdd h ALA 29 Cb 0.76 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1vdd h ALA 29 CO 0.06 -0.32 0.00 0.74 0.00 0.00 0.00 179.25 179.73 1vdd h PHE 30 N -0.34 0.00 0.21 0.00 0.05 -1.33 -0.70 116.94 114.83 1vdd h PHE 30 Ca 0.00 0.00 -0.33 0.00 3.82 0.00 0.00 57.97 61.46 1vdd h PHE 30 Cb 0.35 0.00 0.02 0.00 2.00 0.00 0.00 35.95 38.32 1vdd h PHE 30 CO 0.04 0.00 -1.56 1.25 -0.18 0.00 0.00 178.31 177.87 1vdd h HIS 31 N 0.00 0.80 0.00 -0.55 -0.00 -1.23 -3.22 115.15 110.95 1vdd h HIS 31 Ca 0.00 -0.58 -0.02 0.00 -0.00 0.00 0.00 60.37 59.76 1vdd h HIS 31 Cb 0.32 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.69 1vdd h HIS 31 CO 0.00 1.60 -0.11 -0.07 -0.00 0.00 0.00 177.93 179.35 1vdd h LEU 32 N 0.06 0.00 0.63 0.26 3.38 -0.33 -2.82 115.31 116.48 1vdd h LEU 32 Ca -0.29 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1vdd h LEU 32 Cb 2.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.83 1vdd h LEU 32 CO 0.21 0.11 -0.30 0.15 0.09 0.00 0.00 178.44 178.70 1vdd h PHE 33 N 0.00 -0.79 0.00 1.13 3.57 -1.17 -2.85 116.94 116.84 1vdd h PHE 33 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1vdd h PHE 33 Cb 0.26 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1vdd h PHE 33 CO 0.00 -0.46 0.00 -0.85 -2.23 0.00 0.00 178.31 174.77 1vdd n GLU 34 N -5.43 0.89 -4.12 1.11 0.28 -1.07 -4.76 120.64 107.54 1vdd n GLU 34 Ca -0.13 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.59 1vdd n GLU 34 Cb 0.36 -1.37 -0.07 0.00 1.43 0.00 0.00 31.44 31.79 1vdd n GLU 34 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1vdd s GLN 35 N -0.78 2.67 0.25 3.44 -1.52 -1.08 -5.10 119.66 117.55 1vdd s GLN 35 Ca 0.00 -0.90 -0.24 0.00 -1.95 0.00 0.00 55.36 52.27 1vdd s GLN 35 Cb 0.00 -2.55 -0.09 0.00 -0.22 0.00 0.00 33.01 30.15 1vdd s GLN 35 CO 0.00 0.50 0.84 -1.25 -0.25 0.00 0.00 175.29 175.13 1vdd s PRO 36 N -2.75 4.49 0.18 2.91 0.04 -1.26 -4.94 135.00 133.67 1vdd s PRO 36 Ca 0.28 1.15 -0.12 0.00 0.04 0.00 0.00 61.00 62.35 1vdd s PRO 36 Cb -0.11 -2.95 0.21 0.00 0.04 0.00 0.00 34.50 31.70 1vdd s PRO 36 CO 0.21 0.39 1.17 -2.13 0.04 0.00 0.00 177.00 176.68 1vdd n ARG 37 N 0.88 -0.16 -0.33 4.56 0.63 -1.26 -0.27 116.66 120.71 1vdd n ARG 37 Ca -0.01 1.17 0.15 0.00 -0.92 0.00 0.00 57.85 58.23 1vdd n ARG 37 Cb 0.50 -1.73 0.29 0.00 0.45 0.00 0.00 32.46 31.97 1vdd n ARG 37 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1vdd n GLU 38 N -5.13 -0.08 -0.05 -0.14 4.71 -1.26 -0.14 120.64 118.54 1vdd n GLU 38 Ca 0.08 1.42 -0.13 0.00 -0.01 0.00 0.00 57.16 58.53 1vdd n GLU 38 Cb 0.32 -2.27 -0.07 0.00 -1.01 0.00 0.00 31.44 28.40 1vdd n GLU 38 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1vdd h ASP 39 N 0.00 0.31 -0.67 1.62 5.19 -1.02 0.11 116.42 121.96 1vdd h ASP 39 Ca 0.59 -0.43 0.02 0.00 -0.62 0.00 0.00 57.03 56.59 1vdd h ASP 39 Cb 1.23 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.62 1vdd h ASP 39 CO -0.89 0.67 0.45 0.40 -3.12 0.00 0.00 179.24 176.75 1vdd h ILE 40 N -0.05 1.14 0.01 0.35 1.08 -0.47 0.38 117.51 119.96 1vdd h ILE 40 Ca 0.03 -0.30 -0.21 0.00 -0.39 0.00 0.00 64.86 64.00 1vdd h ILE 40 Cb 0.56 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1vdd h ILE 40 CO 0.02 0.16 -0.91 -0.33 -0.69 0.00 0.00 178.15 176.40 1vdd h GLU 41 N 0.87 0.22 -0.03 2.37 5.08 -0.61 -0.83 114.58 121.65 1vdd h GLU 41 Ca 0.26 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1vdd h GLU 41 Cb -0.03 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1vdd h GLU 41 CO -0.06 0.99 -0.62 -0.09 -1.00 0.00 0.00 179.01 178.22 1vdd h ARG 42 N 0.12 0.11 0.25 2.33 2.43 0.24 0.10 114.38 119.96 1vdd h ARG 42 Ca -0.05 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1vdd h ARG 42 Cb 1.55 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.11 1vdd h ARG 42 CO 0.14 0.69 -0.12 1.25 -1.51 0.00 0.00 179.97 180.42 1vdd h LEU 43 N 0.08 -0.29 -1.65 3.80 6.46 -0.23 -1.60 115.31 121.87 1vdd h LEU 43 Ca -0.01 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 1vdd h LEU 43 Cb 1.11 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.10 1vdd h LEU 43 CO 0.09 0.01 0.54 0.00 -0.62 0.00 0.00 178.44 178.46 1vdd h ALA 44 N -1.41 1.83 0.11 1.25 0.00 -1.18 0.17 119.26 120.03 1vdd h ALA 44 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1vdd h ALA 44 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1vdd h ALA 44 CO 0.06 -0.66 -0.05 1.03 0.00 0.00 0.00 179.25 179.63 1vdd h SER 45 N 0.00 -0.12 -0.87 0.00 0.87 -0.70 -3.16 113.55 109.57 1vdd h SER 45 Ca 0.11 -0.42 0.15 0.00 -1.23 0.00 0.00 61.79 60.40 1vdd h SER 45 Cb 1.18 0.03 -0.09 0.00 -0.44 0.00 0.00 62.40 63.08 1vdd h SER 45 CO -0.00 0.51 0.47 0.00 -0.53 0.00 0.00 176.83 177.28 1vdd h ALA 46 N -0.36 1.33 -0.98 6.23 0.00 0.32 0.29 119.26 126.09 1vdd h ALA 46 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1vdd h ALA 46 Cb 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1vdd h ALA 46 CO 0.02 -0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.50 1vdd n LEU 47 N -4.84 0.00 -0.25 0.00 4.77 -0.65 -0.46 117.00 115.58 1vdd n LEU 47 Ca 0.18 0.84 0.23 0.00 -0.03 0.00 0.00 56.01 57.22 1vdd n LEU 47 Cb 0.44 -0.34 0.57 0.00 -2.33 0.00 0.00 43.42 41.76 1vdd n LEU 47 CO 0.22 -0.34 1.23 -0.07 -1.33 0.00 0.00 177.39 177.11 1vdd h LEU 48 N 0.00 0.31 -0.04 2.23 3.38 -1.49 -0.32 115.31 119.38 1vdd h LEU 48 Ca 0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1vdd h LEU 48 Cb 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1vdd h LEU 48 CO 0.00 0.11 -0.00 -0.08 0.09 0.00 0.00 178.44 178.55 1vdd h GLU 49 N 0.30 0.07 -0.97 1.13 4.81 -0.75 -1.48 114.58 117.69 1vdd h GLU 49 Ca 0.49 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.73 1vdd h GLU 49 Cb 1.40 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.72 1vdd h GLU 49 CO -0.16 0.39 0.63 0.00 -0.73 0.00 0.00 179.01 179.14 1vdd h ALA 50 N 0.68 1.28 -0.61 2.92 0.00 0.90 0.83 119.26 125.26 1vdd h ALA 50 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1vdd h ALA 50 Cb 0.36 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1vdd h ALA 50 CO 0.00 0.52 0.32 -0.22 0.00 0.00 0.00 179.25 179.88 1vdd h LYS 51 N 1.23 0.86 0.74 0.00 3.11 -1.14 -0.98 116.57 120.39 1vdd h LYS 51 Ca 0.38 -0.11 -0.04 0.00 -2.81 0.00 0.00 60.65 58.08 1vdd h LYS 51 Cb -0.01 -0.16 0.01 0.00 -1.00 0.00 0.00 32.23 31.06 1vdd h LYS 51 CO -0.12 0.66 -0.35 -0.09 -2.81 0.00 0.00 179.45 176.74 1vdd h ARG 52 N 0.83 -0.95 0.02 1.90 2.43 -0.09 -3.37 114.38 115.14 1vdd h ARG 52 Ca 0.21 0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 59.24 1vdd h ARG 52 Cb 0.06 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1vdd h ARG 52 CO -0.03 -0.64 -0.93 -0.44 -1.51 0.00 0.00 179.97 176.42 1vdd h ASP 53 N -1.13 0.21 -3.30 -3.80 3.32 -0.93 -3.45 116.42 107.33 1vdd h ASP 53 Ca -0.10 -0.19 -0.56 0.00 0.02 0.00 0.00 57.03 56.21 1vdd h ASP 53 Cb 0.76 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.21 1vdd h ASP 53 CO 0.17 1.03 0.48 -0.76 -1.72 0.00 0.00 179.24 178.44 1vdd s LEU 54 N -7.26 4.27 0.28 1.55 1.02 -0.37 -4.03 118.68 114.15 1vdd s LEU 54 Ca -0.02 1.51 -0.03 0.00 0.02 0.00 0.00 54.13 55.61 1vdd s LEU 54 Cb 0.10 -3.51 -0.01 0.00 0.02 0.00 0.00 46.19 42.79 1vdd s LEU 54 CO 0.83 -0.38 0.36 -1.38 0.02 0.00 0.00 176.35 175.80 1vdd s HIS 55 N 1.72 1.01 -0.06 0.29 -3.43 -0.72 -4.85 115.29 109.25 1vdd s HIS 55 Ca 0.48 -1.22 -0.21 0.00 -0.80 0.00 0.00 55.06 53.30 1vdd s HIS 55 Cb -0.19 -0.22 -0.04 0.00 -1.43 0.00 0.00 32.58 30.70 1vdd s HIS 55 CO 0.20 -0.94 0.60 0.54 -2.00 0.00 0.00 174.74 173.14 1vdd s VAL 56 N -3.62 5.05 0.27 -5.38 0.11 -1.26 -2.02 120.40 113.55 1vdd s VAL 56 Ca 0.32 1.23 -0.30 0.00 -2.93 0.00 0.00 61.98 60.30 1vdd s VAL 56 Cb 0.02 -3.94 -0.11 0.00 -1.53 0.00 0.00 36.38 30.82 1vdd s VAL 56 CO 0.16 0.33 1.50 0.00 -3.33 0.00 0.00 175.10 173.76 1vdd n PRO 58 N 2.18 0.31 0.00 0.00 -0.04 -1.26 -3.52 135.00 132.67 1vdd n PRO 58 Ca 0.07 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1vdd n PRO 58 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1vdd n PRO 58 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1vdd n ILE 59 N -1.27 0.00 -3.83 0.52 2.08 -1.26 -4.92 119.36 110.67 1vdd n ILE 59 Ca 0.10 0.00 -0.36 0.00 0.56 0.00 0.00 62.75 63.05 1vdd n ILE 59 Cb 0.16 -0.76 -0.07 0.00 -0.75 0.00 0.00 39.64 38.21 1vdd n ILE 59 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1vdd n PHE 61 N 2.78 0.27 -0.07 0.00 3.01 -1.23 -4.11 117.46 118.10 1vdd n PHE 61 Ca -0.18 -1.62 0.00 0.00 1.01 0.00 0.00 57.45 56.66 1vdd n PHE 61 Cb 0.53 -1.62 0.00 0.00 -0.01 0.00 0.00 39.48 38.38 1vdd n PHE 61 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1vdd n ASN 62 N 2.39 -0.12 -4.21 4.37 5.15 -1.26 -4.46 115.26 117.11 1vdd n ASN 62 Ca 0.45 -0.07 -0.33 0.00 -0.60 0.00 0.00 54.58 54.03 1vdd n ASN 62 Cb 0.85 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.94 1vdd n ASN 62 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1vdd s ILE 63 N -0.13 2.24 0.27 -1.44 1.09 -1.26 -2.20 121.20 119.76 1vdd s ILE 63 Ca 0.00 -0.93 -0.16 0.00 -1.10 0.00 0.00 60.65 58.46 1vdd s ILE 63 Cb 0.00 -1.90 0.01 0.00 -1.06 0.00 0.00 42.46 39.51 1vdd s ILE 63 CO 0.00 0.54 0.60 0.42 -0.10 0.00 0.00 174.94 176.40 1vdd s THR 64 N 0.69 0.00 -0.21 2.92 -4.23 -0.86 -4.92 115.64 109.02 1vdd s THR 64 Ca -0.10 -1.21 0.06 0.00 -1.18 0.00 0.00 61.69 59.26 1vdd s THR 64 Cb -0.16 -2.14 -0.17 0.00 1.34 0.00 0.00 72.50 71.37 1vdd s THR 64 CO 0.01 0.00 -0.12 -0.90 -0.54 0.00 0.00 174.62 173.07 1vdd n ASP 65 N -0.46 1.71 -4.14 3.99 3.85 -1.26 -1.75 116.55 118.49 1vdd n ASP 65 Ca -0.03 -0.08 -0.29 0.00 -0.71 0.00 0.00 54.79 53.68 1vdd n ASP 65 Cb 0.61 0.05 0.23 0.00 -1.35 0.00 0.00 41.12 40.66 1vdd n ASP 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1vdd s ALA 66 N -2.45 0.23 0.19 2.12 0.00 -1.26 -4.91 121.76 115.67 1vdd s ALA 66 Ca -0.24 -0.61 0.26 0.00 0.00 0.00 0.00 51.96 51.38 1vdd s ALA 66 Cb 0.07 -3.03 1.11 0.00 0.00 0.00 0.00 23.12 21.27 1vdd s ALA 66 CO 0.59 -3.62 1.90 0.93 0.00 0.00 0.00 175.76 175.57 1vdd h GLU 67 N -2.55 0.00 -3.11 0.00 4.39 -2.01 -3.43 114.58 107.87 1vdd h GLU 67 Ca -0.51 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.01 1vdd h GLU 67 Cb 1.32 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 29.70 1vdd h GLU 67 CO 0.44 0.17 -0.46 0.15 -1.16 0.00 0.00 179.01 178.15 1vdd s LYS 68 N -3.75 0.25 0.29 2.33 1.02 -1.26 -4.54 119.74 114.08 1vdd s LYS 68 Ca -0.00 0.41 -0.28 0.00 0.02 0.00 0.00 55.97 56.11 1vdd s LYS 68 Cb 0.11 0.04 -0.14 0.00 -0.52 0.00 0.00 37.83 37.31 1vdd s LYS 68 CO 0.61 -0.08 1.06 0.00 -0.92 0.00 0.00 175.35 176.01 1vdd h ASP 70 N 2.14 0.19 0.74 0.00 3.58 -1.97 0.26 116.42 121.36 1vdd h ASP 70 Ca -0.41 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.04 1vdd h ASP 70 Cb 1.33 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.39 1vdd h ASP 70 CO 0.61 0.04 -0.35 0.58 -2.88 0.00 0.00 179.24 177.24 1vdd h VAL 71 N 0.17 0.00 -0.69 2.25 2.07 -1.93 0.74 116.25 118.86 1vdd h VAL 71 Ca 0.55 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 68.14 1vdd h VAL 71 Cb 1.84 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 1vdd h VAL 71 CO -0.13 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.79 1vdd h ALA 73 N 1.42 -0.02 -1.29 0.00 0.00 -0.39 -3.42 119.26 115.57 1vdd h ALA 73 Ca 0.34 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 54.56 1vdd h ALA 73 Cb 0.37 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1vdd h ALA 73 CO -0.27 -0.49 1.40 -3.47 0.00 0.00 0.00 179.25 176.42 1vdd n ASP 74 N -5.08 2.38 0.00 0.00 -0.08 0.26 -4.77 116.55 109.25 1vdd n ASP 74 Ca -0.07 0.42 0.14 0.00 -1.51 0.00 0.00 54.79 53.76 1vdd n ASP 74 Cb 0.06 -1.31 0.81 0.00 2.34 0.00 0.00 41.12 43.01 1vdd n ASP 74 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1vdd n PRO 75 N 8.15 0.82 -0.17 -0.67 -0.04 -1.26 -3.07 135.00 138.76 1vdd n PRO 75 Ca 0.38 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.95 1vdd n PRO 75 Cb 0.27 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.50 1vdd n PRO 75 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1vdd n SER 76 N -1.03 2.67 -4.97 3.54 3.41 -1.26 -4.94 113.62 111.04 1vdd n SER 76 Ca 0.20 -1.90 -0.22 0.00 -0.26 0.00 0.00 58.87 56.70 1vdd n SER 76 Cb 0.11 -0.22 0.01 0.00 -0.26 0.00 0.00 64.21 63.84 1vdd n SER 76 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1vdd s ARG 77 N -1.55 3.00 0.00 4.33 0.52 -1.17 -5.03 118.95 119.04 1vdd s ARG 77 Ca 0.36 -0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 54.59 1vdd s ARG 77 Cb 0.20 -2.61 -0.06 0.00 0.52 0.00 0.00 34.95 32.99 1vdd s ARG 77 CO 0.28 -0.26 1.51 0.34 0.02 0.00 0.00 175.30 177.19 1vdd s ASP 78 N -4.24 6.75 0.00 0.23 -1.08 0.12 -4.84 116.67 113.61 1vdd s ASP 78 Ca 0.49 2.22 0.25 0.00 -0.52 0.00 0.00 52.55 54.99 1vdd s ASP 78 Cb -0.10 -2.55 0.52 0.00 -1.46 0.00 0.00 42.92 39.33 1vdd s ASP 78 CO 0.36 -0.81 1.42 1.67 0.52 0.00 0.00 175.17 178.33 1vdd n GLN 79 N 5.85 0.50 0.09 4.34 -0.06 -1.26 -3.37 117.38 123.45 1vdd n GLN 79 Ca 0.15 -0.32 0.11 0.00 -2.00 0.00 0.00 57.00 54.94 1vdd n GLN 79 Cb 0.43 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 25.11 1vdd n GLN 79 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1vdd n ARG 80 N -0.97 0.56 -4.91 3.69 1.74 -1.26 -4.92 116.66 110.58 1vdd n ARG 80 Ca 0.09 0.08 -0.32 0.00 -0.77 0.00 0.00 57.85 56.93 1vdd n ARG 80 Cb 0.35 -1.77 -0.14 0.00 -1.02 0.00 0.00 32.46 29.88 1vdd n ARG 80 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1vdd s THR 81 N -3.35 2.79 -0.25 0.55 -4.23 -1.26 -1.12 115.64 108.77 1vdd s THR 81 Ca -0.00 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1vdd s THR 81 Cb 0.11 -2.09 0.07 0.00 1.34 0.00 0.00 72.50 71.92 1vdd s THR 81 CO 0.80 0.52 -0.00 -0.63 -0.54 0.00 0.00 174.62 174.77 1vdd s ILE 82 N -0.76 1.35 -0.44 2.99 1.01 -0.40 -1.18 121.20 123.76 1vdd s ILE 82 Ca 0.12 -1.28 -0.22 0.00 0.00 0.00 0.00 60.65 59.27 1vdd s ILE 82 Cb -0.10 -1.76 0.02 0.00 0.01 0.00 0.00 42.46 40.63 1vdd s ILE 82 CO 0.01 -0.28 0.73 0.00 0.00 0.00 0.00 174.94 175.41 1vdd s VAL 84 N 3.10 4.60 0.36 0.00 1.01 0.56 -0.81 120.40 129.22 1vdd s VAL 84 Ca 0.27 0.84 0.08 0.00 0.00 0.00 0.00 61.98 63.18 1vdd s VAL 84 Cb -0.13 -4.33 -0.06 0.00 0.00 0.00 0.00 36.38 31.87 1vdd s VAL 84 CO 0.21 -0.63 0.05 0.68 0.00 0.00 0.00 175.10 175.41 1vdd s VAL 85 N 3.43 2.50 0.01 2.92 -7.23 -0.03 0.83 120.40 122.83 1vdd s VAL 85 Ca 0.35 -1.90 -0.06 0.00 -1.81 0.00 0.00 61.98 58.56 1vdd s VAL 85 Cb -0.12 -2.87 -0.29 0.00 0.56 0.00 0.00 36.38 33.66 1vdd s VAL 85 CO 0.21 -0.13 0.87 -0.33 -0.31 0.00 0.00 175.10 175.41 1vdd h GLU 86 N 1.71 0.30 -4.70 4.82 5.08 -1.84 -0.18 114.58 119.77 1vdd h GLU 86 Ca -0.43 -0.52 -0.31 0.00 -1.00 0.00 0.00 59.36 57.10 1vdd h GLU 86 Cb 1.25 0.19 -0.22 0.00 0.50 0.00 0.00 28.75 30.47 1vdd h GLU 86 CO 0.69 1.19 -0.75 -1.21 -1.00 0.00 0.00 179.01 177.93 1vdd s GLU 87 N -2.61 0.59 0.53 2.33 8.01 -1.26 0.20 118.70 126.49 1vdd s GLU 87 Ca -0.09 -0.71 0.32 0.00 0.01 0.00 0.00 54.97 54.49 1vdd s GLU 87 Cb 0.06 -0.43 1.48 0.00 -4.31 0.00 0.00 34.13 30.93 1vdd s GLU 87 CO 0.87 0.09 1.87 -1.00 0.01 0.00 0.00 175.26 177.10 1vdd h PRO 88 N 4.70 0.02 -0.83 0.39 0.13 -1.92 0.66 132.00 135.15 1vdd h PRO 88 Ca -0.36 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.73 1vdd h PRO 88 Cb 1.20 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1vdd h PRO 88 CO 0.42 0.01 0.37 0.78 -0.23 0.00 0.00 178.00 179.35 1vdd h GLY 89 N 0.02 1.30 0.57 1.56 0.00 -1.99 -1.50 103.07 103.04 1vdd h GLY 89 Ca 0.46 -0.68 0.14 0.00 0.00 0.00 0.00 47.33 47.25 1vdd h GLY 89 CO -0.02 0.64 0.56 -0.55 0.00 0.00 0.00 176.54 177.17 1vdd h ASP 90 N 1.19 0.59 0.68 0.19 5.19 -0.07 0.73 116.42 124.92 1vdd h ASP 90 Ca 0.28 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.69 1vdd h ASP 90 Cb 0.16 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 39.60 1vdd h ASP 90 CO -0.03 0.30 -0.33 0.58 -3.12 0.00 0.00 179.24 176.64 1vdd h VAL 91 N 0.62 0.00 -0.38 -1.35 2.07 -1.19 0.63 116.25 116.65 1vdd h VAL 91 Ca 0.43 -0.01 0.11 0.00 0.82 0.00 0.00 66.70 68.05 1vdd h VAL 91 Cb 0.75 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1vdd h VAL 91 CO -0.18 0.00 0.34 0.40 0.02 0.00 0.00 177.57 178.15 1vdd h ILE 92 N -0.92 0.55 -0.40 4.57 2.04 -1.05 0.26 117.51 122.55 1vdd h ILE 92 Ca -0.09 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.62 1vdd h ILE 92 Cb 0.70 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1vdd h ILE 92 CO 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 178.15 177.99 1vdd h ALA 93 N 1.68 0.68 0.00 1.87 0.00 0.12 -3.04 119.26 120.56 1vdd h ALA 93 Ca 0.18 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 1vdd h ALA 93 Cb 0.86 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1vdd h ALA 93 CO -0.00 0.67 -0.95 -0.07 0.00 0.00 0.00 179.25 178.90 1vdd h LEU 94 N 0.75 0.00 -0.97 0.00 3.38 0.14 -3.25 115.31 115.36 1vdd h LEU 94 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1vdd h LEU 94 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1vdd h LEU 94 CO 0.08 0.56 0.00 -0.62 0.09 0.00 0.00 178.44 178.55 1vdd n GLU 95 N -3.08 0.89 0.01 1.13 -0.58 0.67 -3.19 120.64 116.49 1vdd n GLU 95 Ca -0.03 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.68 1vdd n GLU 95 Cb 0.79 -1.43 -0.01 0.00 -0.57 0.00 0.00 31.44 30.22 1vdd n GLU 95 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1vdd n ARG 96 N 0.04 0.09 0.11 3.49 5.12 -1.19 -4.55 116.66 119.76 1vdd n ARG 96 Ca 0.00 0.04 0.04 0.00 -1.93 0.00 0.00 57.85 56.00 1vdd n ARG 96 Cb 0.22 -0.65 0.24 0.00 -1.16 0.00 0.00 32.46 31.11 1vdd n ARG 96 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1vdd n SER 97 N -3.45 0.23 0.00 0.55 3.41 -1.19 -4.73 113.62 108.43 1vdd n SER 97 Ca -0.05 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1vdd n SER 97 Cb 0.30 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1vdd n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vdd n GLY 98 N -1.28 0.67 1.06 5.00 0.00 -1.22 -4.77 105.19 104.66 1vdd n GLY 98 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1vdd n GLY 98 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vdd n GLU 99 N 0.00 0.03 -3.67 1.61 1.02 -1.26 -4.55 120.64 113.82 1vdd n GLU 99 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1vdd n GLU 99 Cb 0.00 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 29.85 1vdd n GLU 99 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1vdd s TYR 100 N 1.03 -0.81 -0.38 -0.32 5.04 -1.26 -5.00 117.35 115.64 1vdd s TYR 100 Ca 0.00 1.57 0.04 0.00 -2.44 0.00 0.00 57.07 56.25 1vdd s TYR 100 Cb 0.00 0.36 0.11 0.00 0.35 0.00 0.00 41.96 42.78 1vdd s TYR 100 CO 0.00 -0.47 1.06 2.89 -1.34 0.00 0.00 175.55 177.70 1vdd n ARG 101 N 5.03 2.66 -0.10 4.97 1.85 -1.26 -4.94 116.66 124.88 1vdd n ARG 101 Ca -0.13 -1.64 0.00 0.00 -1.00 0.00 0.00 57.85 55.08 1vdd n ARG 101 Cb 0.51 -1.10 0.00 0.00 -1.05 0.00 0.00 32.46 30.82 1vdd n ARG 101 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1vdd n GLY 102 N -0.07 -0.46 3.99 2.89 0.00 -1.26 0.12 105.19 110.40 1vdd n GLY 102 Ca 0.04 -1.73 -0.21 0.00 0.00 0.00 0.00 46.02 44.13 1vdd n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vdd s LEU 103 N 0.00 3.23 0.31 0.99 1.43 -0.33 -4.66 118.68 119.66 1vdd s LEU 103 Ca 0.00 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1vdd s LEU 103 Cb 0.00 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1vdd s LEU 103 CO 0.00 -1.29 0.13 -0.31 0.23 0.00 0.00 176.35 175.11 1vdd s TYR 104 N -2.80 1.65 -0.22 0.29 1.51 -1.26 -1.66 117.35 114.86 1vdd s TYR 104 Ca 0.60 -1.28 -0.04 0.00 -1.01 0.00 0.00 57.07 55.34 1vdd s TYR 104 Cb -0.09 -0.96 0.12 0.00 -0.11 0.00 0.00 41.96 40.92 1vdd s TYR 104 CO 0.39 -0.40 0.34 -1.58 -1.11 0.00 0.00 175.55 173.20 1vdd s HIS 105 N -3.55 -0.68 -0.17 2.71 2.46 0.01 -4.55 115.29 111.53 1vdd s HIS 105 Ca 0.34 0.78 -0.22 0.00 0.47 0.00 0.00 55.06 56.44 1vdd s HIS 105 Cb 0.06 -0.04 -0.03 0.00 -0.13 0.00 0.00 32.58 32.44 1vdd s HIS 105 CO 0.16 -0.65 0.66 0.08 -2.47 0.00 0.00 174.74 172.52 1vdd s VAL 106 N 2.50 5.02 0.02 0.89 1.01 -1.26 -0.85 120.40 127.72 1vdd s VAL 106 Ca 0.09 1.27 0.04 0.00 0.00 0.00 0.00 61.98 63.39 1vdd s VAL 106 Cb -0.15 -3.98 -0.24 0.00 0.00 0.00 0.00 36.38 32.01 1vdd s VAL 106 CO -0.14 0.14 0.90 -0.07 0.00 0.00 0.00 175.10 175.92 1vdd h LEU 107 N 7.87 0.17 -2.21 3.92 3.38 -1.12 -3.37 115.31 123.95 1vdd h LEU 107 Ca -0.33 -0.25 -0.17 0.00 0.09 0.00 0.00 57.88 57.21 1vdd h LEU 107 Cb 1.15 -0.06 0.11 0.00 0.09 0.00 0.00 40.66 41.96 1vdd h LEU 107 CO 0.78 1.21 -0.49 1.41 0.09 0.00 0.00 178.44 181.45 1vdd n HIS 108 N -3.31 -1.39 0.00 1.13 8.25 0.13 -2.67 115.22 117.37 1vdd n HIS 108 Ca -0.13 0.54 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 1vdd n HIS 108 Cb 1.02 -3.66 0.00 0.00 1.12 0.00 0.00 29.99 28.46 1vdd n HIS 108 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vdd n GLY 109 N -1.20 2.73 3.70 -1.41 0.00 -0.56 -4.89 105.19 103.55 1vdd n GLY 109 Ca -0.11 -2.06 -0.27 0.00 0.00 0.00 0.00 46.02 43.58 1vdd n GLY 109 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vdd s VAL 110 N -2.04 2.02 0.00 1.61 -7.23 -1.26 -4.80 120.40 108.69 1vdd s VAL 110 Ca 0.00 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 1vdd s VAL 110 Cb 0.00 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 34.07 1vdd s VAL 110 CO 0.00 0.00 0.47 0.18 -0.31 0.00 0.00 175.10 175.44 1vdd n LEU 111 N -1.15 0.51 -3.62 1.32 4.77 -1.26 -4.95 117.00 112.62 1vdd n LEU 111 Ca -0.05 0.50 -0.25 0.00 -0.03 0.00 0.00 56.01 56.18 1vdd n LEU 111 Cb 0.66 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.67 1vdd n LEU 111 CO 0.46 -0.10 -0.05 -1.54 -1.33 0.00 0.00 177.39 174.83 1vdd n SER 112 N -0.81 -5.59 0.00 -1.43 3.41 -1.26 -4.38 113.62 103.55 1vdd n SER 112 Ca 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1vdd n SER 112 Cb 0.00 -3.12 0.00 0.00 -0.26 0.00 0.00 64.21 60.83 1vdd n SER 112 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1vdd n PRO 113 N -3.33 0.00 -0.09 4.33 -0.04 -1.26 -3.29 135.00 131.33 1vdd n PRO 113 Ca -0.14 0.28 0.08 0.00 -0.04 0.00 0.00 63.50 63.67 1vdd n PRO 113 Cb 0.60 -0.94 0.13 0.00 -0.04 0.00 0.00 33.50 33.25 1vdd n PRO 113 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1vdd n MET 114 N -0.72 -0.01 -0.52 0.54 2.81 -1.26 0.27 117.12 118.22 1vdd n MET 114 Ca 0.00 0.26 -0.09 0.00 -1.81 0.00 0.00 57.70 56.05 1vdd n MET 114 Cb 0.00 -0.50 0.09 0.00 -0.71 0.00 0.00 33.22 32.10 1vdd n MET 114 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1vdd n ASN 115 N -3.16 3.31 -2.76 7.83 6.94 -1.21 -4.88 115.26 121.34 1vdd n ASN 115 Ca 0.08 -2.68 -0.11 0.00 -0.02 0.00 0.00 54.58 51.85 1vdd n ASN 115 Cb 0.30 -0.64 0.05 0.00 -2.36 0.00 0.00 39.78 37.13 1vdd n ASN 115 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1vdd n GLY 116 N -0.18 -0.45 2.40 4.83 0.00 0.75 -5.04 105.19 107.50 1vdd n GLY 116 Ca 0.25 0.22 -0.23 0.00 0.00 0.00 0.00 46.02 46.26 1vdd n GLY 116 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vdd n VAL 117 N -2.90 -0.94 -1.58 1.61 0.31 -0.95 -5.04 118.33 108.85 1vdd n VAL 117 Ca -0.10 -3.21 -0.30 0.00 -0.01 0.00 0.00 64.34 60.72 1vdd n VAL 117 Cb 0.60 -1.31 0.22 0.00 -0.91 0.00 0.00 33.84 32.44 1vdd n VAL 117 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1vdd s GLY 118 N -0.18 1.72 0.56 2.92 0.00 -1.26 -4.18 107.32 106.91 1vdd s GLY 118 Ca 0.33 -1.17 0.31 0.00 0.00 0.00 0.00 44.72 44.19 1vdd s GLY 118 CO -0.17 -0.32 2.16 -0.56 0.00 0.00 0.00 173.10 174.21 1vdd h PRO 119 N -2.11 0.00 0.00 2.90 0.13 -1.95 -2.71 132.00 128.25 1vdd h PRO 119 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1vdd h PRO 119 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1vdd h PRO 119 CO 0.33 0.06 0.00 -0.40 -0.23 0.00 0.00 178.00 177.76 1vdd n ASP 120 N -3.55 0.00 -0.72 1.44 5.68 -1.26 -1.23 116.55 116.90 1vdd n ASP 120 Ca -0.02 0.35 0.10 0.00 -0.50 0.00 0.00 54.79 54.72 1vdd n ASP 120 Cb 0.18 -0.40 0.06 0.00 -1.14 0.00 0.00 41.12 39.82 1vdd n ASP 120 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1vdd n LYS 121 N -1.40 1.73 -4.03 0.11 5.02 -1.02 -4.95 118.16 113.62 1vdd n LYS 121 Ca 0.02 -1.52 -0.27 0.00 -2.02 0.00 0.00 58.31 54.52 1vdd n LYS 121 Cb 0.07 -1.38 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1vdd n LYS 121 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1vdd s LEU 122 N -1.81 2.62 -0.76 -0.35 1.43 -0.37 -5.00 118.68 114.43 1vdd s LEU 122 Ca 0.22 -1.32 -0.01 0.00 -1.03 0.00 0.00 54.13 51.98 1vdd s LEU 122 Cb 0.16 -1.10 0.38 0.00 0.03 0.00 0.00 46.19 45.66 1vdd s LEU 122 CO 0.31 -1.08 1.90 1.41 0.23 0.00 0.00 176.35 179.12 1vdd n HIS 123 N -1.69 3.07 0.14 0.29 8.25 -1.09 -4.61 115.22 119.57 1vdd n HIS 123 Ca -0.05 -2.52 -0.24 0.00 -0.26 0.00 0.00 57.72 54.65 1vdd n HIS 123 Cb 0.65 -1.08 -0.16 0.00 1.12 0.00 0.00 29.99 30.52 1vdd n HIS 123 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1vdd h ILE 124 N 1.91 1.27 -0.29 1.59 2.04 -1.89 -3.36 117.51 118.78 1vdd h ILE 124 Ca 0.54 -2.73 0.07 0.00 1.00 0.00 0.00 64.86 63.74 1vdd h ILE 124 Cb 0.29 3.01 -0.08 0.00 -0.74 0.00 0.00 36.82 39.30 1vdd h ILE 124 CO 1.38 0.82 -0.30 0.50 0.00 0.00 0.00 178.15 180.56 1vdd h LYS 125 N 0.14 -0.28 -0.03 2.37 3.11 -1.87 -0.94 116.57 119.07 1vdd h LYS 125 Ca -0.25 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.61 1vdd h LYS 125 Cb 2.14 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 33.44 1vdd h LYS 125 CO 0.26 -0.18 0.00 -0.35 -2.81 0.00 0.00 179.45 176.37 1vdd n PRO 126 N -5.40 0.63 -0.10 1.90 -0.04 -1.26 -2.83 135.00 127.90 1vdd n PRO 126 Ca -0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.22 1vdd n PRO 126 Cb 0.32 -1.02 -0.12 0.00 -0.04 0.00 0.00 33.50 32.65 1vdd n PRO 126 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1vdd n LEU 127 N -0.47 2.27 -0.14 1.53 -0.00 -0.36 -4.58 117.00 115.25 1vdd n LEU 127 Ca 0.00 0.25 -0.04 0.00 -0.00 0.00 0.00 56.01 56.22 1vdd n LEU 127 Cb 0.01 -0.95 -0.03 0.00 -0.00 0.00 0.00 43.42 42.45 1vdd n LEU 127 CO 0.00 0.61 0.42 0.18 -0.00 0.00 0.00 177.39 178.60 1vdd n LEU 128 N -3.95 -0.35 -0.26 -1.96 4.77 -1.13 -0.09 117.00 114.04 1vdd n LEU 128 Ca -0.41 1.10 0.32 0.00 -0.03 0.00 0.00 56.01 56.99 1vdd n LEU 128 Cb 0.88 -0.34 0.74 0.00 -2.33 0.00 0.00 43.42 42.37 1vdd n LEU 128 CO 0.21 -0.73 1.30 1.55 -1.33 0.00 0.00 177.39 178.38 1vdd h PRO 129 N 0.00 0.00 -0.71 3.23 0.13 -1.82 -1.18 132.00 131.65 1vdd h PRO 129 Ca 0.05 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.12 1vdd h PRO 129 Cb 0.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.23 1vdd h PRO 129 CO -0.31 0.00 0.21 0.00 -0.23 0.00 0.00 178.00 177.67 1vdd h ARG 130 N 0.00 1.11 -6.80 0.86 3.08 -0.75 -3.44 114.38 108.45 1vdd h ARG 130 Ca 0.50 -0.25 -0.51 0.00 0.07 0.00 0.00 59.98 59.79 1vdd h ARG 130 Cb 2.02 -0.16 0.03 0.00 0.08 0.00 0.00 29.97 31.94 1vdd h ARG 130 CO -0.01 0.96 0.54 0.08 -1.07 0.00 0.00 179.97 180.47 1vdd s VAL 131 N -5.39 3.29 0.25 2.04 1.01 -0.45 -5.04 120.40 116.11 1vdd s VAL 131 Ca -0.12 1.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.92 1vdd s VAL 131 Cb 0.15 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1vdd s VAL 131 CO 0.84 0.28 0.60 -0.83 0.00 0.00 0.00 175.10 175.99 1vdd s GLY 132 N -0.56 0.05 0.35 4.51 0.00 -1.26 -4.70 107.32 105.70 1vdd s GLY 132 Ca 0.47 -0.40 -0.28 0.00 0.00 0.00 0.00 44.72 44.51 1vdd s GLY 132 CO 0.43 -0.26 1.42 -1.06 0.00 0.00 0.00 173.10 173.63 1vdd n GLN 133 N -0.41 2.45 -0.20 2.90 6.02 -1.13 -2.12 117.38 124.88 1vdd n GLN 133 Ca -0.05 0.86 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 1vdd n GLN 133 Cb 0.61 -2.54 0.00 0.00 1.02 0.00 0.00 30.24 29.33 1vdd n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vdd n GLY 134 N 0.82 0.60 3.80 1.08 0.00 -1.19 -4.90 105.19 105.40 1vdd n GLY 134 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1vdd n GLY 134 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1vdd s MET 135 N -0.80 2.20 -0.03 1.61 -1.94 -0.90 -4.90 119.30 114.54 1vdd s MET 135 Ca 0.00 -2.21 0.01 0.00 -1.71 0.00 0.00 55.69 51.78 1vdd s MET 135 Cb 0.00 -1.76 0.02 0.00 2.01 0.00 0.00 34.83 35.10 1vdd s MET 135 CO 0.00 -0.40 -0.03 -2.00 -0.01 0.00 0.00 175.02 172.58 1vdd s GLU 136 N -4.00 0.54 -0.25 2.03 2.12 -0.27 -1.56 118.70 117.31 1vdd s GLU 136 Ca 0.20 -0.08 -0.07 0.00 0.36 0.00 0.00 54.97 55.38 1vdd s GLU 136 Cb 0.01 -0.59 -0.02 0.00 0.26 0.00 0.00 34.13 33.78 1vdd s GLU 136 CO 0.11 -0.04 0.07 0.08 -0.54 0.00 0.00 175.26 174.95 1vdd s VAL 137 N 0.62 4.25 -0.44 3.70 1.01 0.33 -1.28 120.40 128.59 1vdd s VAL 137 Ca -0.07 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1vdd s VAL 137 Cb -0.10 -3.01 0.08 0.00 0.00 0.00 0.00 36.38 33.35 1vdd s VAL 137 CO -0.00 0.32 0.31 -0.63 0.00 0.00 0.00 175.10 175.09 1vdd s ILE 138 N 1.60 4.59 -0.61 2.22 1.01 -0.50 -0.35 121.20 129.17 1vdd s ILE 138 Ca 0.06 -1.29 -0.28 0.00 0.00 0.00 0.00 60.65 59.14 1vdd s ILE 138 Cb -0.15 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.55 1vdd s ILE 138 CO 0.03 -0.54 1.34 -0.76 0.00 0.00 0.00 174.94 175.01 1vdd s LEU 139 N 1.50 3.36 -0.50 2.97 1.43 0.63 -0.33 118.68 127.74 1vdd s LEU 139 Ca 0.03 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 1vdd s LEU 139 Cb -0.24 -2.95 0.54 0.00 0.03 0.00 0.00 46.19 43.58 1vdd s LEU 139 CO 0.04 -1.71 1.84 0.00 0.23 0.00 0.00 176.35 176.75 1vdd n ALA 140 N 9.36 5.67 -1.62 4.21 0.00 0.24 -2.78 120.51 135.59 1vdd n ALA 140 Ca 0.09 -3.24 -0.31 0.00 0.00 0.00 0.00 53.44 49.98 1vdd n ALA 140 Cb 0.49 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 18.60 1vdd n ALA 140 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1vdd s THR 141 N -4.01 4.11 0.00 0.00 -4.23 -1.19 -4.46 115.64 105.87 1vdd s THR 141 Ca 0.58 0.69 0.00 0.00 -1.18 0.00 0.00 61.69 61.77 1vdd s THR 141 Cb 0.48 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.85 1vdd s THR 141 CO 0.04 -0.90 0.00 0.61 -0.54 0.00 0.00 174.62 173.83 1vdd n GLY 142 N -2.11 -3.36 0.75 3.99 0.00 -1.26 -4.88 105.19 98.31 1vdd n GLY 142 Ca 0.07 -1.14 0.05 0.00 0.00 0.00 0.00 46.02 45.01 1vdd n GLY 142 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vdd n THR 143 N -1.19 1.14 -1.39 2.61 -2.24 -1.26 -3.89 114.28 108.06 1vdd n THR 143 Ca 0.00 -1.88 -0.30 0.00 -2.27 0.00 0.00 64.05 59.60 1vdd n THR 143 Cb 0.00 0.25 0.24 0.00 -2.10 0.00 0.00 70.33 68.71 1vdd n THR 143 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1vdd s THR 144 N -1.69 1.68 0.08 4.28 -4.23 -1.26 -4.73 115.64 109.76 1vdd s THR 144 Ca 0.30 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.54 1vdd s THR 144 Cb 0.30 -2.68 -0.17 0.00 1.34 0.00 0.00 72.50 71.30 1vdd s THR 144 CO -0.07 0.00 1.66 0.58 -0.54 0.00 0.00 174.62 176.25 1vdd h VAL 145 N -2.40 0.78 0.00 2.29 2.07 -2.00 -2.15 116.25 114.85 1vdd h VAL 145 Ca -0.43 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1vdd h VAL 145 Cb 1.26 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1vdd h VAL 145 CO 0.29 0.02 -0.10 1.05 0.02 0.00 0.00 177.57 178.84 1vdd h GLU 146 N -0.35 0.00 0.14 1.57 9.09 -1.97 -1.63 114.58 121.42 1vdd h GLU 146 Ca -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.37 1vdd h GLU 146 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 1vdd h GLU 146 CO 0.05 0.10 -0.07 0.78 0.05 0.00 0.00 179.01 179.93 1vdd h GLY 147 N 2.24 -0.19 1.38 1.06 0.00 -1.69 0.37 103.07 106.24 1vdd h GLY 147 Ca -0.00 0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 1vdd h GLY 147 CO 0.01 -0.07 -0.27 -1.80 0.00 0.00 0.00 176.54 174.41 1vdd h ASP 148 N -0.28 0.72 0.55 0.19 -0.00 -1.28 -2.87 116.42 113.44 1vdd h ASP 148 Ca -0.02 -0.27 -0.02 0.00 -0.00 0.00 0.00 57.03 56.72 1vdd h ASP 148 Cb 0.23 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 39.34 1vdd h ASP 148 CO 0.03 0.96 -0.42 0.00 -0.00 0.00 0.00 179.24 179.81 1vdd h ALA 149 N 1.09 -1.00 -0.98 -0.78 0.00 -0.90 0.09 119.26 116.78 1vdd h ALA 149 Ca 0.08 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.96 1vdd h ALA 149 Cb 0.77 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 1vdd h ALA 149 CO 0.06 -1.09 0.59 1.15 0.00 0.00 0.00 179.25 179.97 1vdd h THR 150 N -0.95 0.79 0.45 0.00 2.02 -0.28 -1.05 112.91 113.90 1vdd h THR 150 Ca -0.06 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1vdd h THR 150 Cb 0.80 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1vdd h THR 150 CO 0.01 0.15 -0.22 0.00 0.37 0.00 0.00 175.52 175.84 1vdd h ALA 151 N 1.59 -0.61 -0.21 6.16 0.00 -1.24 -0.33 119.26 124.63 1vdd h ALA 151 Ca 0.53 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.35 1vdd h ALA 151 Cb 0.71 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1vdd h ALA 151 CO -0.34 -0.81 0.23 -0.07 0.00 0.00 0.00 179.25 178.27 1vdd h LEU 152 N -0.68 0.00 0.15 0.00 3.38 -0.10 0.12 115.31 118.17 1vdd h LEU 152 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1vdd h LEU 152 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1vdd h LEU 152 CO 0.10 0.00 -0.07 0.22 0.09 0.00 0.00 178.44 178.78 1vdd h TYR 153 N 0.00 -0.18 -0.97 1.13 3.20 -0.69 -2.95 116.97 116.50 1vdd h TYR 153 Ca 0.10 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.15 1vdd h TYR 153 Cb 0.56 0.06 -0.09 0.00 1.54 0.00 0.00 36.73 38.79 1vdd h TYR 153 CO 0.00 0.17 0.61 -0.07 -1.64 0.00 0.00 178.16 177.23 1vdd h LEU 154 N -0.97 0.67 0.60 2.82 3.38 -0.23 0.46 115.31 122.04 1vdd h LEU 154 Ca -0.02 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1vdd h LEU 154 Cb 0.43 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1vdd h LEU 154 CO 0.03 0.26 -0.29 -0.61 0.09 0.00 0.00 178.44 177.93 1vdd h GLN 155 N 0.67 -0.78 -1.04 1.13 4.15 -0.87 0.31 115.11 118.69 1vdd h GLN 155 Ca 0.54 0.05 0.26 0.00 0.77 0.00 0.00 58.65 60.27 1vdd h GLN 155 Cb 0.96 0.18 -0.11 0.00 0.21 0.00 0.00 27.48 28.72 1vdd h GLN 155 CO -0.30 -0.52 0.65 0.00 -1.93 0.00 0.00 178.83 176.73 1vdd h ARG 156 N -0.81 0.44 -0.12 1.69 3.08 -1.26 0.14 114.38 117.54 1vdd h ARG 156 Ca -0.08 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.77 1vdd h ARG 156 Cb 0.62 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1vdd h ARG 156 CO 0.14 0.29 -0.63 1.25 -1.07 0.00 0.00 179.97 179.94 1vdd h LEU 157 N 0.45 0.50 0.05 3.04 6.46 -0.55 -3.32 115.31 121.94 1vdd h LEU 157 Ca 0.62 -0.30 -0.29 0.00 -0.12 0.00 0.00 57.88 57.79 1vdd h LEU 157 Cb 1.44 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 41.19 1vdd h LEU 157 CO -0.36 1.01 -1.61 -0.07 -0.62 0.00 0.00 178.44 176.78 1vdd h LEU 158 N 0.32 0.16 -0.24 2.25 3.38 0.17 -3.39 115.31 117.96 1vdd h LEU 158 Ca -0.01 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1vdd h LEU 158 Cb 1.18 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1vdd h LEU 158 CO 0.11 1.24 -0.11 1.21 0.09 0.00 0.00 178.44 180.98 1vdd n GLU 159 N -3.25 -0.08 -0.28 1.13 4.07 0.26 0.10 120.64 122.60 1vdd n GLU 159 Ca -0.17 0.37 0.02 0.00 -0.06 0.00 0.00 57.16 57.33 1vdd n GLU 159 Cb 1.03 -0.54 0.16 0.00 -0.06 0.00 0.00 31.44 32.03 1vdd n GLU 159 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1vdd h PRO 160 N 0.00 0.73 -6.83 5.31 0.13 -1.79 -3.44 132.00 126.11 1vdd h PRO 160 Ca 0.07 -0.04 -0.39 0.00 -0.87 0.00 0.00 66.00 64.76 1vdd h PRO 160 Cb 0.13 -0.16 0.21 0.00 0.13 0.00 0.00 31.00 31.30 1vdd h PRO 160 CO -0.23 0.48 -0.36 1.28 -0.23 0.00 0.00 178.00 178.94 1vdd n LEU 161 N -4.77 -1.56 -0.62 1.56 4.77 0.29 -4.89 117.00 111.78 1vdd n LEU 161 Ca 0.13 -0.39 0.03 0.00 -0.03 0.00 0.00 56.01 55.75 1vdd n LEU 161 Cb 0.27 -1.05 0.11 0.00 -2.33 0.00 0.00 43.42 40.42 1vdd n LEU 161 CO 0.27 -3.62 0.52 0.61 -1.33 0.00 0.00 177.39 173.83 1vdd n GLY 162 N 1.69 0.84 3.74 -0.72 0.00 -1.26 -4.91 105.19 104.57 1vdd n GLY 162 Ca 0.05 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1vdd n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vdd s ALA 163 N -1.63 3.39 0.43 4.61 0.00 -1.18 -2.85 121.76 124.53 1vdd s ALA 163 Ca 0.15 -1.37 -0.19 0.00 0.00 0.00 0.00 51.96 50.56 1vdd s ALA 163 Cb 0.10 -1.15 -0.10 0.00 0.00 0.00 0.00 23.12 21.97 1vdd s ALA 163 CO 0.08 0.41 0.92 0.00 0.00 0.00 0.00 175.76 177.17 1vdd s ALA 164 N -1.90 3.10 0.00 0.00 0.00 -0.60 -4.84 121.76 117.52 1vdd s ALA 164 Ca 0.30 0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.61 1vdd s ALA 164 Cb -0.09 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 1vdd s ALA 164 CO 0.22 0.07 -0.25 0.42 0.00 0.00 0.00 175.76 176.21 1vdd s ILE 165 N -2.27 2.00 0.04 0.00 1.01 -1.26 0.12 121.20 120.85 1vdd s ILE 165 Ca 0.60 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1vdd s ILE 165 Cb -0.09 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 1vdd s ILE 165 CO 0.19 0.48 -0.04 -0.94 0.00 0.00 0.00 174.94 174.62 1vdd s SER 166 N -0.81 0.55 -0.01 3.58 1.04 0.53 -4.94 113.70 113.65 1vdd s SER 166 Ca 0.10 -0.73 0.08 0.00 0.48 0.00 0.00 55.95 55.88 1vdd s SER 166 Cb -0.10 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 1vdd s SER 166 CO 0.00 -0.40 -0.26 -0.60 0.98 0.00 0.00 173.24 172.96 1vdd s ARG 167 N -2.56 2.06 0.50 4.02 6.06 -1.26 -0.27 118.95 127.50 1vdd s ARG 167 Ca -0.04 -0.96 -0.22 0.00 -2.50 0.00 0.00 55.73 52.01 1vdd s ARG 167 Cb -0.02 -2.03 -0.08 0.00 0.06 0.00 0.00 34.95 32.88 1vdd s ARG 167 CO -0.04 0.55 1.02 1.51 -2.50 0.00 0.00 175.30 175.84 1vdd n ILE 168 N 2.33 2.99 -1.99 4.11 3.06 -1.12 -4.84 119.36 123.91 1vdd n ILE 168 Ca -0.16 -0.50 -0.43 0.00 -2.50 0.00 0.00 62.75 59.16 1vdd n ILE 168 Cb 0.51 -1.21 -0.03 0.00 0.54 0.00 0.00 39.64 39.46 1vdd n ILE 168 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1vdd s ALA 169 N -1.38 3.29 -0.05 1.51 0.00 -1.26 -4.99 121.76 118.88 1vdd s ALA 169 Ca 0.68 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 1vdd s ALA 169 Cb -0.48 -3.86 -0.02 0.00 0.00 0.00 0.00 23.12 18.75 1vdd s ALA 169 CO 0.53 -1.93 1.04 0.71 0.00 0.00 0.00 175.76 176.10 1vdd s TYR 170 N 5.33 3.51 0.00 0.00 1.51 -1.26 -4.95 117.35 121.50 1vdd s TYR 170 Ca 0.77 1.56 0.00 0.00 -1.01 0.00 0.00 57.07 58.39 1vdd s TYR 170 Cb -0.29 -3.21 0.00 0.00 -0.11 0.00 0.00 41.96 38.35 1vdd s TYR 170 CO 0.31 -0.38 0.00 0.41 -1.11 0.00 0.00 175.55 174.79 1vdd n GLY 171 N 3.07 0.70 3.72 0.71 0.00 -1.26 -4.44 105.19 107.69 1vdd n GLY 171 Ca 0.08 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 1vdd n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vdd s VAL 172 N -2.10 4.62 1.11 1.61 1.01 -1.26 -4.95 120.40 120.44 1vdd s VAL 172 Ca 0.00 2.03 -0.17 0.00 0.00 0.00 0.00 61.98 63.84 1vdd s VAL 172 Cb 0.00 -4.30 0.24 0.00 0.00 0.00 0.00 36.38 32.32 1vdd s VAL 172 CO 0.00 0.28 1.12 -2.16 0.00 0.00 0.00 175.10 174.34 1vdd s PRO 173 N 0.26 -0.50 0.11 2.72 0.04 -1.26 -4.99 135.00 131.38 1vdd s PRO 173 Ca 0.47 0.08 -0.26 0.00 0.04 0.00 0.00 61.00 61.33 1vdd s PRO 173 Cb -0.22 -1.67 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 1vdd s PRO 173 CO 0.29 -3.26 0.82 0.08 0.04 0.00 0.00 177.00 174.97 1vdd s VAL 174 N -3.08 4.52 -0.03 -0.36 1.01 -1.26 -4.25 120.40 116.95 1vdd s VAL 174 Ca 0.69 1.77 -0.00 0.00 0.00 0.00 0.00 61.98 64.44 1vdd s VAL 174 Cb -0.12 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1vdd s VAL 174 CO 0.56 0.42 0.02 0.61 0.00 0.00 0.00 175.10 176.71 1vdd n GLY 175 N 2.05 0.53 3.30 4.51 0.00 -1.26 -5.08 105.19 109.22 1vdd n GLY 175 Ca -0.03 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 1vdd n GLY 175 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vdd s GLY 176 N -3.03 0.18 -0.05 -0.02 0.00 -1.26 -5.16 107.32 97.98 1vdd s GLY 176 Ca 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 44.72 44.14 1vdd s GLY 176 CO 0.02 -0.70 -0.13 -0.56 0.00 0.00 0.00 173.10 171.72 1vdd s SER 177 N -2.90 4.14 0.49 1.64 0.01 -1.26 -5.02 113.70 110.81 1vdd s SER 177 Ca 0.10 -0.16 0.29 0.00 1.31 0.00 0.00 55.95 57.48 1vdd s SER 177 Cb 0.03 -0.91 1.38 0.00 0.21 0.00 0.00 66.02 66.74 1vdd s SER 177 CO -0.06 0.35 1.83 -0.07 0.41 0.00 0.00 173.24 175.69 1vdd h LEU 178 N 5.33 0.15 -0.70 2.44 3.38 -2.01 0.80 115.31 124.69 1vdd h LEU 178 Ca -0.47 0.02 0.10 0.00 0.09 0.00 0.00 57.88 57.63 1vdd h LEU 178 Cb 1.16 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 1vdd h LEU 178 CO 0.51 0.03 0.33 -0.08 0.09 0.00 0.00 178.44 179.32 1vdd h GLU 179 N 0.13 0.53 -2.73 1.13 4.57 -2.02 -2.68 114.58 113.51 1vdd h GLU 179 Ca 0.52 -0.03 -0.76 0.00 -1.18 0.00 0.00 59.36 57.91 1vdd h GLU 179 Cb 1.81 -0.12 -0.32 0.00 -0.16 0.00 0.00 28.75 29.97 1vdd h GLU 179 CO -0.09 0.35 0.44 0.66 -1.18 0.00 0.00 179.01 179.19 1vdd n TYR 180 N -4.91 2.59 -3.65 0.92 0.53 0.27 -4.92 117.16 108.00 1vdd n TYR 180 Ca 0.11 -2.97 -0.04 0.00 -1.02 0.00 0.00 57.90 53.98 1vdd n TYR 180 Cb 0.30 -1.08 -0.06 0.00 -1.03 0.00 0.00 39.34 37.48 1vdd n TYR 180 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 1vdd s THR 181 N -2.73 -0.48 0.33 -0.72 2.01 -1.01 -4.52 115.64 108.52 1vdd s THR 181 Ca 0.33 0.01 -0.25 0.00 0.31 0.00 0.00 61.69 62.09 1vdd s THR 181 Cb 0.07 -0.98 -0.15 0.00 0.01 0.00 0.00 72.50 71.46 1vdd s THR 181 CO 0.08 0.00 0.56 -0.67 -0.69 0.00 0.00 174.62 173.90 1vdd n ASP 182 N 4.87 -0.88 0.00 3.53 2.03 -1.26 -4.74 116.55 120.10 1vdd n ASP 182 Ca -0.16 1.01 0.00 0.00 0.52 0.00 0.00 54.79 56.16 1vdd n ASP 182 Cb 0.54 -1.06 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 1vdd n ASP 182 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1vdd n GLU 183 N 0.85 0.00 -0.18 -0.67 4.07 -1.26 -1.41 120.64 122.05 1vdd n GLU 183 Ca 0.13 0.74 0.13 0.00 -0.06 0.00 0.00 57.16 58.11 1vdd n GLU 183 Cb 0.34 -1.38 0.46 0.00 -0.06 0.00 0.00 31.44 30.79 1vdd n GLU 183 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1vdd h VAL 184 N 0.00 0.84 0.02 6.31 2.07 -1.99 -1.08 116.25 122.42 1vdd h VAL 184 Ca 0.00 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1vdd h VAL 184 Cb 0.00 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1vdd h VAL 184 CO 0.00 0.09 -0.01 0.74 0.02 0.00 0.00 177.57 178.41 1vdd h THR 185 N 0.51 1.03 -0.85 2.57 2.02 -1.83 0.14 112.91 116.51 1vdd h THR 185 Ca 0.37 -0.16 0.06 0.00 0.77 0.00 0.00 66.41 67.45 1vdd h THR 185 Cb 0.72 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 68.21 1vdd h THR 185 CO -0.13 0.04 0.52 -0.07 0.37 0.00 0.00 175.52 176.25 1vdd h LEU 186 N -0.10 0.81 0.42 2.58 3.38 -0.10 0.37 115.31 122.67 1vdd h LEU 186 Ca -0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1vdd h LEU 186 Cb 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1vdd h LEU 186 CO 0.01 0.51 -0.23 1.23 0.09 0.00 0.00 178.44 180.05 1vdd h GLY 187 N 0.94 -0.63 2.00 0.83 0.00 -0.72 0.32 103.07 105.82 1vdd h GLY 187 Ca 0.37 0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.95 1vdd h GLY 187 CO -0.18 -0.23 -0.01 3.21 0.00 0.00 0.00 176.54 179.33 1vdd h ARG 188 N -0.60 0.00 -0.18 4.80 3.08 -0.31 -1.26 114.38 119.92 1vdd h ARG 188 Ca -0.05 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1vdd h ARG 188 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1vdd h ARG 188 CO 0.08 0.01 -0.24 0.00 -1.07 0.00 0.00 179.97 178.74 1vdd h ALA 189 N 1.99 0.27 -0.35 0.04 0.00 0.45 -0.93 119.26 120.73 1vdd h ALA 189 Ca -0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1vdd h ALA 189 Cb 0.39 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1vdd h ALA 189 CO 0.00 0.24 -0.16 -0.07 0.00 0.00 0.00 179.25 179.26 1vdd h LEU 190 N 0.13 0.75 -0.87 0.00 3.38 -0.18 -2.51 115.31 116.01 1vdd h LEU 190 Ca 0.02 -0.40 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 1vdd h LEU 190 Cb 0.81 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1vdd h LEU 190 CO 0.06 0.99 -0.53 0.71 0.09 0.00 0.00 178.44 179.75 1vdd h THR 191 N 0.51 1.37 -0.48 0.22 1.35 -1.31 -2.81 112.91 111.77 1vdd h THR 191 Ca 0.08 -1.82 -0.00 0.00 -0.55 0.00 0.00 66.41 64.12 1vdd h THR 191 Cb 0.70 1.94 -0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1vdd h THR 191 CO 0.05 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 1vdd n GLY 192 N 0.03 2.74 3.72 5.82 0.00 -0.36 -4.96 105.19 112.19 1vdd n GLY 192 Ca -0.02 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1vdd n GLY 192 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1vdd s ARG 193 N -2.46 4.24 -0.18 1.61 1.70 -0.95 -4.98 118.95 117.93 1vdd s ARG 193 Ca 0.45 2.31 -0.20 0.00 -0.47 0.00 0.00 55.73 57.82 1vdd s ARG 193 Cb 0.35 -3.16 -0.03 0.00 -0.57 0.00 0.00 34.95 31.54 1vdd s ARG 193 CO 0.13 -0.55 0.60 -0.65 -1.08 0.00 0.00 175.30 173.75 1vdd s GLN 194 N 0.82 4.24 0.52 3.89 -0.21 -1.26 -5.04 119.66 122.62 1vdd s GLN 194 Ca 0.67 0.58 -0.20 0.00 0.02 0.00 0.00 55.36 56.44 1vdd s GLN 194 Cb -0.42 -3.55 -0.07 0.00 1.00 0.00 0.00 33.01 29.97 1vdd s GLN 194 CO 0.34 -0.16 1.09 0.95 -2.12 0.00 0.00 175.29 175.39 1vdd s THR 195 N 1.63 3.47 0.00 -0.19 -4.23 -1.26 -4.94 115.64 110.12 1vdd s THR 195 Ca 0.28 0.91 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 1vdd s THR 195 Cb -0.16 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1vdd s THR 195 CO 0.11 -0.20 0.00 0.52 -0.54 0.00 0.00 174.62 174.51 1vdd n VAL 196 N -1.16 0.00 -3.38 2.29 0.31 -1.26 -4.97 118.33 110.15 1vdd n VAL 196 Ca 0.10 -0.29 -0.17 0.00 -0.01 0.00 0.00 64.34 63.98 1vdd n VAL 196 Cb 0.52 0.93 -0.09 0.00 -0.91 0.00 0.00 33.84 34.29 1vdd n VAL 196 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1vdd s SER 197 N -0.73 1.40 0.62 4.52 0.15 -1.26 -5.14 113.70 113.25 1vdd s SER 197 Ca 0.00 -1.13 -0.15 0.00 0.70 0.00 0.00 55.95 55.37 1vdd s SER 197 Cb 0.00 0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 64.84 1vdd s SER 197 CO 0.00 -0.33 1.07 -0.54 1.20 0.00 0.00 173.24 174.64 1vdd s LYS 198 N 1.93 3.16 0.00 5.44 -0.14 -1.26 -5.31 119.74 123.56 1vdd s LYS 198 Ca 0.13 1.23 0.25 0.00 -1.36 0.00 0.00 55.97 56.22 1vdd s LYS 198 Cb -0.15 -2.01 0.31 0.00 -1.68 0.00 0.00 37.83 34.30 1vdd s LYS 198 CO -0.19 -0.94 1.33 -0.35 -0.76 0.00 0.00 175.35 174.43