#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbr s LEU 2 N 0.00 1.69 0.00 -0.89 1.43 -1.26 -5.07 118.68 114.58 1hbr s LEU 2 Ca 0.00 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 1hbr s LEU 2 Cb 0.00 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1hbr s LEU 2 CO 0.00 -3.09 0.00 0.41 0.23 0.00 0.00 176.35 173.90 1hbr n THR 3 N -4.16 0.00 0.00 5.49 -1.04 -1.26 -5.10 114.28 108.21 1hbr n THR 3 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1hbr n THR 3 Cb 0.57 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 1hbr n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hbr n ALA 4 N -3.00 1.51 -0.54 2.41 0.00 -1.26 -4.65 120.51 114.98 1hbr n ALA 4 Ca 0.00 0.00 0.43 0.00 0.00 0.00 0.00 53.44 53.87 1hbr n ALA 4 Cb 0.00 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.18 1hbr n ALA 4 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1hbr h GLU 5 N 0.00 0.03 -0.87 0.00 4.22 -2.01 1.92 114.58 117.88 1hbr h GLU 5 Ca 0.00 -0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.45 1hbr h GLU 5 Cb 0.00 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1hbr h GLU 5 CO 0.00 0.02 0.58 -0.44 -2.18 0.00 0.00 179.01 176.99 1hbr h ASP 6 N 0.03 1.00 -0.54 1.04 3.32 -1.97 -0.36 116.42 118.93 1hbr h ASP 6 Ca 0.86 -0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.98 1hbr h ASP 6 Cb 3.04 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 42.31 1hbr h ASP 6 CO -0.26 0.72 0.37 0.11 -1.72 0.00 0.00 179.24 178.46 1hbr h LYS 7 N 1.18 0.33 -0.00 3.56 1.57 0.28 0.04 116.57 123.52 1hbr h LYS 7 Ca 0.32 -0.02 -0.26 0.00 -1.87 0.00 0.00 60.65 58.82 1hbr h LYS 7 Cb -0.13 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.12 1hbr h LYS 7 CO -0.07 0.22 -1.03 -0.22 -0.57 0.00 0.00 179.45 177.78 1hbr h LYS 8 N 0.34 0.67 0.13 3.15 3.11 -1.04 -2.80 116.57 120.14 1hbr h LYS 8 Ca 0.25 -0.72 -0.01 0.00 -2.81 0.00 0.00 60.65 57.37 1hbr h LYS 8 Cb 0.52 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 1hbr h LYS 8 CO -0.06 1.30 -0.06 -0.07 -2.81 0.00 0.00 179.45 177.74 1hbr h LEU 9 N 0.38 -0.15 -2.01 5.20 3.38 -0.59 -1.76 115.31 119.76 1hbr h LEU 9 Ca -0.12 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1hbr h LEU 9 Cb 1.68 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 1hbr h LEU 9 CO 0.20 0.13 -0.10 0.16 0.09 0.00 0.00 178.44 178.92 1hbr h ILE 10 N -0.44 0.68 -0.04 1.22 3.07 -1.16 0.86 117.51 121.70 1hbr h ILE 10 Ca -0.02 -0.40 -0.19 0.00 1.55 0.00 0.00 64.86 65.80 1hbr h ILE 10 Cb 0.35 1.25 -0.00 0.00 -0.27 0.00 0.00 36.82 38.14 1hbr h ILE 10 CO 0.03 0.10 -0.80 1.56 -1.05 0.00 0.00 178.15 177.99 1hbr h GLN 11 N 0.00 0.35 0.33 0.16 4.20 -1.31 0.19 115.11 119.03 1hbr h GLN 11 Ca -0.00 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.37 1hbr h GLN 11 Cb 0.24 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1hbr h GLN 11 CO 0.01 0.98 -0.16 0.37 -0.67 0.00 0.00 178.83 179.36 1hbr h GLN 12 N 0.22 -0.43 -0.91 1.46 4.15 -0.27 -1.65 115.11 117.68 1hbr h GLN 12 Ca -0.04 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.52 1hbr h GLN 12 Cb 1.39 0.10 -0.07 0.00 0.21 0.00 0.00 27.48 29.11 1hbr h GLN 12 CO 0.13 -0.10 0.58 0.00 -1.93 0.00 0.00 178.83 177.51 1hbr h ALA 13 N -0.40 1.68 -0.12 3.38 0.00 -0.88 -1.27 119.26 121.64 1hbr h ALA 13 Ca -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1hbr h ALA 13 Cb 0.53 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1hbr h ALA 13 CO 0.08 0.10 -0.01 2.35 0.00 0.00 0.00 179.25 181.77 1hbr h TRP 14 N 0.84 0.25 -0.66 0.00 -0.00 -0.90 -2.76 115.95 112.72 1hbr h TRP 14 Ca 0.44 -0.05 0.19 0.00 -0.00 0.00 0.00 58.89 59.47 1hbr h TRP 14 Cb 0.53 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.16 29.60 1hbr h TRP 14 CO -0.00 0.49 0.70 0.93 -0.00 0.00 0.00 178.44 180.56 1hbr h GLU 15 N -0.06 0.00 0.08 2.65 4.39 -0.23 0.66 114.58 122.07 1hbr h GLU 15 Ca 0.03 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.58 1hbr h GLU 15 Cb 0.39 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1hbr h GLU 15 CO 0.01 0.00 -0.64 -0.22 -1.16 0.00 0.00 179.01 177.00 1hbr h LYS 16 N 0.00 0.29 -0.24 2.33 1.63 -1.39 -3.35 116.57 115.84 1hbr h LYS 16 Ca 0.31 -0.42 -0.19 0.00 -0.85 0.00 0.00 60.65 59.50 1hbr h LYS 16 Cb 1.71 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.49 1hbr h LYS 16 CO -0.00 1.16 -0.62 0.00 -3.45 0.00 0.00 179.45 176.54 1hbr h ALA 17 N 0.15 0.45 -0.43 5.00 0.00 -0.06 -3.30 119.26 121.07 1hbr h ALA 17 Ca -0.10 -0.54 0.12 0.00 0.00 0.00 0.00 54.91 54.39 1hbr h ALA 17 Cb 1.45 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1hbr h ALA 17 CO 0.12 0.68 0.68 0.00 0.00 0.00 0.00 179.25 180.74 1hbr h ALA 18 N 0.68 2.15 -0.14 0.00 0.00 -0.07 0.23 119.26 122.11 1hbr h ALA 18 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hbr h ALA 18 Cb 1.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1hbr h ALA 18 CO 0.13 -0.90 0.00 0.43 0.00 0.00 0.00 179.25 178.91 1hbr n SER 19 N -3.27 2.94 -1.63 0.00 7.64 -1.24 -4.32 113.62 113.74 1hbr n SER 19 Ca 0.08 -1.94 0.04 0.00 1.01 0.00 0.00 58.87 58.06 1hbr n SER 19 Cb 0.84 -0.08 0.03 0.00 -1.01 0.00 0.00 64.21 63.99 1hbr n SER 19 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1hbr n HIS 20 N 1.24 0.15 -0.26 1.43 8.25 0.78 -4.97 115.22 121.84 1hbr n HIS 20 Ca 0.16 -0.71 -0.02 0.00 -0.26 0.00 0.00 57.72 56.89 1hbr n HIS 20 Cb 0.57 -0.16 0.05 0.00 1.12 0.00 0.00 29.99 31.56 1hbr n HIS 20 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1hbr h GLN 21 N 1.18 -0.07 -0.82 -0.41 4.20 -1.69 0.19 115.11 117.69 1hbr h GLN 21 Ca -0.21 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 1hbr h GLN 21 Cb 1.81 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.56 1hbr h GLN 21 CO 0.11 -0.05 0.46 0.93 -0.67 0.00 0.00 178.83 179.61 1hbr h GLU 22 N -0.08 1.13 0.01 1.46 5.08 -1.89 0.28 114.58 120.58 1hbr h GLU 22 Ca 0.30 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1hbr h GLU 22 Cb 0.57 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1hbr h GLU 22 CO -0.78 0.82 -0.01 0.93 -1.00 0.00 0.00 179.01 178.98 1hbr h GLU 23 N 1.13 -0.02 -0.55 2.33 4.39 -1.72 -2.45 114.58 117.69 1hbr h GLU 23 Ca 0.29 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 1hbr h GLU 23 Cb 0.01 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1hbr h GLU 23 CO -0.05 0.72 0.31 0.74 -1.16 0.00 0.00 179.01 179.57 1hbr h PHE 24 N -0.80 0.75 -0.28 4.33 -1.00 -0.60 0.63 116.94 119.97 1hbr h PHE 24 Ca -0.00 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1hbr h PHE 24 Cb 0.74 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 1hbr h PHE 24 CO 0.19 0.54 0.14 0.78 -1.61 0.00 0.00 178.31 178.35 1hbr h GLY 25 N 0.74 0.42 1.00 -1.45 0.00 -0.56 -0.14 103.07 103.09 1hbr h GLY 25 Ca 0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1hbr h GLY 25 CO -0.03 0.19 0.26 0.00 0.00 0.00 0.00 176.54 176.96 1hbr h ALA 26 N 1.01 0.81 -0.46 3.60 0.00 -1.19 -2.04 119.26 120.99 1hbr h ALA 26 Ca 0.10 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1hbr h ALA 26 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1hbr h ALA 26 CO -0.01 0.42 -0.10 1.49 0.00 0.00 0.00 179.25 181.04 1hbr h GLU 27 N 0.87 0.82 0.37 0.00 4.81 -0.67 -1.14 114.58 119.63 1hbr h GLU 27 Ca 0.21 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1hbr h GLU 27 Cb 0.19 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1hbr h GLU 27 CO -0.02 0.89 -0.18 0.00 -0.73 0.00 0.00 179.01 178.97 1hbr h ALA 28 N 1.15 -0.49 -0.57 2.92 0.00 -0.65 -0.18 119.26 121.43 1hbr h ALA 28 Ca 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1hbr h ALA 28 Cb 0.59 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1hbr h ALA 28 CO 0.04 -0.78 0.31 -0.07 0.00 0.00 0.00 179.25 178.75 1hbr h LEU 29 N -0.49 0.72 -0.78 0.00 4.07 -1.28 -1.20 115.31 116.35 1hbr h LEU 29 Ca -0.05 -0.10 0.03 0.00 0.08 0.00 0.00 57.88 57.84 1hbr h LEU 29 Cb 0.38 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.89 1hbr h LEU 29 CO 0.08 0.61 0.50 0.74 -1.08 0.00 0.00 178.44 179.29 1hbr h THR 30 N 0.78 1.13 -0.47 0.22 2.02 -1.05 0.40 112.91 115.94 1hbr h THR 30 Ca 0.20 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1hbr h THR 30 Cb 0.05 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 1hbr h THR 30 CO -0.03 0.18 0.10 0.03 0.37 0.00 0.00 175.52 176.17 1hbr h ARG 31 N 0.98 0.76 0.39 6.66 3.08 -0.58 -0.92 114.38 124.76 1hbr h ARG 31 Ca 0.31 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 1hbr h ARG 31 Cb -0.01 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1hbr h ARG 31 CO -0.10 0.76 -0.19 1.98 -1.07 0.00 0.00 179.97 181.34 1hbr h MET 32 N 0.63 -0.51 -0.63 0.04 4.05 -0.51 0.17 114.93 118.17 1hbr h MET 32 Ca 0.14 0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.64 1hbr h MET 32 Cb 0.35 0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.23 1hbr h MET 32 CO 0.00 -0.34 0.42 0.74 0.23 0.00 0.00 176.91 177.96 1hbr h PHE 33 N -0.53 0.69 -0.03 1.39 0.04 -0.87 0.48 116.94 118.11 1hbr h PHE 33 Ca -0.05 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.65 1hbr h PHE 33 Cb 0.41 -0.23 0.01 0.00 2.20 0.00 0.00 35.95 38.33 1hbr h PHE 33 CO -0.05 0.39 -0.30 1.15 -0.60 0.00 0.00 178.31 178.90 1hbr h THR 34 N 0.71 1.48 0.14 -1.55 2.02 -0.83 -3.09 112.91 111.79 1hbr h THR 34 Ca 0.26 -1.84 -0.29 0.00 0.77 0.00 0.00 66.41 65.31 1hbr h THR 34 Cb 0.15 2.56 0.02 0.00 -1.74 0.00 0.00 68.15 69.14 1hbr h THR 34 CO -0.08 0.52 -1.26 0.74 0.37 0.00 0.00 175.52 175.81 1hbr h THR 35 N -0.33 1.36 -2.52 3.16 2.02 -0.42 -3.38 112.91 112.79 1hbr h THR 35 Ca -0.03 -2.69 -0.60 0.00 0.77 0.00 0.00 66.41 63.86 1hbr h THR 35 Cb 1.00 2.81 -0.42 0.00 -1.74 0.00 0.00 68.15 69.80 1hbr h THR 35 CO 0.06 0.80 -0.63 -1.22 0.37 0.00 0.00 175.52 174.91 1hbr n TYR 36 N -3.69 3.11 -0.33 3.16 4.01 0.17 -4.96 117.16 118.63 1hbr n TYR 36 Ca -0.12 -4.15 0.25 0.00 -0.16 0.00 0.00 57.90 53.72 1hbr n TYR 36 Cb 1.00 -0.54 0.49 0.00 -0.31 0.00 0.00 39.34 39.98 1hbr n TYR 36 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1hbr h PRO 37 N 4.67 0.26 -0.59 -0.72 0.11 -1.70 -0.60 132.00 133.42 1hbr h PRO 37 Ca 0.18 -0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.44 1hbr h PRO 37 Cb 0.72 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 1hbr h PRO 37 CO 0.75 0.17 0.58 -0.56 -0.21 0.00 0.00 178.00 178.73 1hbr h GLN 38 N 0.26 0.00 0.00 1.05 -0.00 -1.92 -0.46 115.11 114.05 1hbr h GLN 38 Ca 0.75 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.38 1hbr h GLN 38 Cb 1.75 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 29.23 1hbr h GLN 38 CO -0.64 0.00 -0.07 1.79 -0.00 0.00 0.00 178.83 179.92 1hbr h THR 39 N 0.00 0.21 -0.19 1.86 1.35 -1.44 -2.85 112.91 111.84 1hbr h THR 39 Ca 0.28 -0.58 0.06 0.00 -0.55 0.00 0.00 66.41 65.62 1hbr h THR 39 Cb 1.44 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 69.33 1hbr h THR 39 CO -0.00 0.07 0.15 0.11 -0.25 0.00 0.00 175.52 175.59 1hbr h LYS 40 N 0.00 0.00 -0.61 4.72 1.57 -1.28 -1.66 116.57 119.31 1hbr h LYS 40 Ca -0.00 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 1hbr h LYS 40 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1hbr h LYS 40 CO 0.01 0.00 0.59 1.15 -0.57 0.00 0.00 179.45 180.63 1hbr h THR 41 N 0.00 0.37 0.00 -0.16 2.02 -1.69 0.13 112.91 113.58 1hbr h THR 41 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1hbr h THR 41 Cb 0.38 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1hbr h THR 41 CO -0.00 0.00 -0.26 -1.22 0.37 0.00 0.00 175.52 174.41 1hbr n TYR 42 N -3.79 0.20 -2.97 3.16 4.02 -0.62 -4.20 117.16 112.96 1hbr n TYR 42 Ca 0.12 0.06 -0.25 0.00 -0.01 0.00 0.00 57.90 57.82 1hbr n TYR 42 Cb 0.82 -0.49 -0.04 0.00 -0.02 0.00 0.00 39.34 39.61 1hbr n TYR 42 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1hbr n PHE 43 N -1.69 3.34 0.28 -0.72 3.72 0.47 -4.86 117.46 118.00 1hbr n PHE 43 Ca 0.06 -3.93 0.17 0.00 -0.05 0.00 0.00 57.45 53.70 1hbr n PHE 43 Cb 0.36 -0.46 0.72 0.00 -0.94 0.00 0.00 39.48 39.16 1hbr n PHE 43 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1hbr h PRO 44 N 2.97 0.00 0.00 -1.08 0.13 -1.73 -2.56 132.00 129.74 1hbr h PRO 44 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1hbr h PRO 44 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1hbr h PRO 44 CO 0.76 0.01 -0.44 -2.39 -0.23 0.00 0.00 178.00 175.72 1hbr n HIS 45 N -3.11 0.47 -2.82 1.56 1.44 -1.26 -4.93 115.22 106.57 1hbr n HIS 45 Ca 0.00 0.14 -0.29 0.00 -2.01 0.00 0.00 57.72 55.56 1hbr n HIS 45 Cb 0.29 -0.62 -0.02 0.00 0.12 0.00 0.00 29.99 29.77 1hbr n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1hbr s PHE 46 N -3.11 3.51 -0.40 -1.40 0.40 -0.96 -5.04 117.98 110.98 1hbr s PHE 46 Ca 0.09 0.89 -0.16 0.00 -0.60 0.00 0.00 56.93 57.14 1hbr s PHE 46 Cb 0.14 -2.33 0.01 0.00 0.51 0.00 0.00 43.02 41.35 1hbr s PHE 46 CO 0.68 -0.15 0.38 0.34 0.70 0.00 0.00 175.22 177.17 1hbr s ASP 47 N -3.59 6.17 -0.13 1.36 2.15 -1.26 -4.94 116.67 116.43 1hbr s ASP 47 Ca 0.49 -0.61 0.02 0.00 0.43 0.00 0.00 52.55 52.87 1hbr s ASP 47 Cb -0.10 -2.20 0.23 0.00 -0.30 0.00 0.00 42.92 40.55 1hbr s ASP 47 CO 0.37 -0.48 1.19 0.18 -0.17 0.00 0.00 175.17 176.26 1hbr n LEU 48 N 5.43 3.75 -4.74 -1.34 4.32 -1.26 -4.44 117.00 118.72 1hbr n LEU 48 Ca -0.09 -1.93 -0.41 0.00 -0.02 0.00 0.00 56.01 53.56 1hbr n LEU 48 Cb 0.48 -0.60 -0.04 0.00 -1.62 0.00 0.00 43.42 41.64 1hbr n LEU 48 CO 0.43 0.59 0.81 -0.44 -1.22 0.00 0.00 177.39 177.56 1hbr s SER 49 N 0.11 7.24 0.38 -1.43 0.01 -1.26 -4.93 113.70 113.82 1hbr s SER 49 Ca 0.18 2.14 0.20 0.00 1.31 0.00 0.00 55.95 59.78 1hbr s SER 49 Cb 0.15 -2.61 1.21 0.00 0.21 0.00 0.00 66.02 64.98 1hbr s SER 49 CO 0.04 -0.23 1.65 -0.65 0.41 0.00 0.00 173.24 174.46 1hbr h PRO 50 N 4.92 0.22 -0.67 12.44 0.11 -2.00 0.23 132.00 147.25 1hbr h PRO 50 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1hbr h PRO 50 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1hbr h PRO 50 CO 0.72 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 179.07 1hbr n GLY 51 N -1.36 2.48 3.63 -0.55 0.00 -1.26 -4.88 105.19 103.24 1hbr n GLY 51 Ca 0.33 -0.80 -0.45 0.00 0.00 0.00 0.00 46.02 45.10 1hbr n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1hbr n SER 52 N 1.25 2.01 0.00 1.61 2.88 0.79 -4.86 113.62 117.30 1hbr n SER 52 Ca 0.24 1.16 -0.02 0.00 -1.33 0.00 0.00 58.87 58.93 1hbr n SER 52 Cb 0.77 -1.34 0.25 0.00 -0.75 0.00 0.00 64.21 63.14 1hbr n SER 52 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1hbr h ASP 53 N 3.21 0.50 0.54 -3.46 5.19 -1.90 -1.97 116.42 118.52 1hbr h ASP 53 Ca -0.43 -0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 55.83 1hbr h ASP 53 Cb 1.31 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 40.69 1hbr h ASP 53 CO 0.69 0.64 -0.26 1.56 -3.12 0.00 0.00 179.24 178.75 1hbr h GLN 54 N 0.48 -0.69 -0.06 3.56 4.20 -1.89 0.68 115.11 121.38 1hbr h GLN 54 Ca 0.09 0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.89 1hbr h GLN 54 Cb 0.47 0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.35 1hbr h GLN 54 CO 0.03 -0.40 -0.36 0.28 -0.67 0.00 0.00 178.83 177.71 1hbr h VAL 55 N -0.90 0.24 -0.88 -0.54 2.07 -1.74 0.25 116.25 114.75 1hbr h VAL 55 Ca -0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.54 1hbr h VAL 55 Cb 0.62 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 1hbr h VAL 55 CO 0.12 0.00 0.52 0.03 0.02 0.00 0.00 177.57 178.27 1hbr h ARG 56 N -0.48 0.85 -0.57 1.57 -0.00 -1.37 0.49 114.38 114.88 1hbr h ARG 56 Ca 0.07 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.98 59.42 1hbr h ARG 56 Cb 0.59 -0.19 -0.02 0.00 0.00 0.00 0.00 29.97 30.34 1hbr h ARG 56 CO -0.33 0.56 0.04 0.78 0.00 0.00 0.00 179.97 181.03 1hbr h GLY 57 N 0.88 1.02 0.37 0.04 0.00 0.11 -1.37 103.07 104.12 1hbr h GLY 57 Ca 0.42 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1hbr h GLY 57 CO -0.24 0.64 -0.01 0.84 0.00 0.00 0.00 176.54 177.77 1hbr h HIS 58 N 0.88 -0.02 -0.98 5.60 6.17 0.87 -2.99 115.15 124.67 1hbr h HIS 58 Ca 0.17 -0.00 0.25 0.00 0.71 0.00 0.00 60.37 61.50 1hbr h HIS 58 Cb 0.46 0.01 -0.13 0.00 2.52 0.00 0.00 27.41 30.28 1hbr h HIS 58 CO 0.03 0.58 0.56 0.78 0.71 0.00 0.00 177.93 180.59 1hbr h GLY 59 N -0.66 1.85 1.62 5.26 0.00 0.07 0.51 103.07 111.72 1hbr h GLY 59 Ca -0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1hbr h GLY 59 CO 0.00 -0.26 -0.22 0.07 0.00 0.00 0.00 176.54 176.14 1hbr h LYS 60 N 0.54 0.45 -0.16 4.80 2.10 -1.26 -1.69 116.57 121.35 1hbr h LYS 60 Ca 0.64 -0.15 -0.20 0.00 -2.00 0.00 0.00 60.65 58.93 1hbr h LYS 60 Cb 1.22 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1hbr h LYS 60 CO -0.49 0.64 -0.70 0.87 -2.00 0.00 0.00 179.45 177.77 1hbr h LYS 61 N 0.40 0.67 0.58 0.07 1.57 0.06 -2.20 116.57 117.74 1hbr h LYS 61 Ca 0.07 -0.51 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 1hbr h LYS 61 Cb 0.61 0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.02 1hbr h LYS 61 CO 0.04 1.13 -0.28 0.28 -0.57 0.00 0.00 179.45 180.05 1hbr h VAL 62 N 0.48 0.40 0.00 0.50 2.07 -0.63 -1.89 116.25 117.18 1hbr h VAL 62 Ca -0.03 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1hbr h VAL 62 Cb 1.30 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1hbr h VAL 62 CO 0.14 0.02 -0.09 -0.07 0.02 0.00 0.00 177.57 177.58 1hbr h LEU 63 N -0.86 0.00 -0.41 2.57 4.07 -1.39 -1.33 115.31 117.96 1hbr h LEU 63 Ca -0.08 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.79 1hbr h LEU 63 Cb 0.63 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 1hbr h LEU 63 CO 0.13 0.09 -0.08 1.23 -1.08 0.00 0.00 178.44 178.74 1hbr h GLY 64 N 0.59 0.84 0.97 0.83 0.00 -1.08 -1.46 103.07 103.75 1hbr h GLY 64 Ca -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 1hbr h GLY 64 CO 0.01 0.62 0.22 0.00 0.00 0.00 0.00 176.54 177.39 1hbr h ALA 65 N 0.86 0.62 -0.94 3.60 0.00 -0.45 -2.17 119.26 120.78 1hbr h ALA 65 Ca 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hbr h ALA 65 Cb 0.59 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1hbr h ALA 65 CO 0.04 0.19 0.58 -0.07 0.00 0.00 0.00 179.25 179.99 1hbr h LEU 66 N 0.63 1.11 -0.41 0.00 3.38 -1.27 0.78 115.31 119.53 1hbr h LEU 66 Ca 0.16 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1hbr h LEU 66 Cb 0.13 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1hbr h LEU 66 CO -0.02 0.84 0.21 1.23 0.09 0.00 0.00 178.44 180.79 1hbr h GLY 67 N 1.29 0.57 2.00 0.83 0.00 -0.79 0.94 103.07 107.91 1hbr h GLY 67 Ca 0.34 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.48 1hbr h GLY 67 CO -0.07 0.11 -0.19 -0.57 0.00 0.00 0.00 176.54 175.83 1hbr h ASN 68 N 0.43 0.00 -0.27 0.19 -1.24 -0.83 -1.87 115.58 111.98 1hbr h ASN 68 Ca 0.18 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.09 1hbr h ASN 68 Cb 0.08 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1hbr h ASN 68 CO -0.12 0.19 -0.20 0.00 -1.29 0.00 0.00 177.43 176.01 1hbr h ALA 69 N 1.81 0.39 -0.30 1.57 0.00 0.11 -2.31 119.26 120.54 1hbr h ALA 69 Ca -0.00 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1hbr h ALA 69 Cb 0.57 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1hbr h ALA 69 CO 0.02 0.33 0.14 0.28 0.00 0.00 0.00 179.25 180.03 1hbr h VAL 70 N 0.35 0.98 -0.77 0.00 2.07 -0.23 0.67 116.25 119.32 1hbr h VAL 70 Ca 0.05 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1hbr h VAL 70 Cb 0.74 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1hbr h VAL 70 CO 0.05 0.06 0.51 0.11 0.02 0.00 0.00 177.57 178.32 1hbr h LYS 71 N 0.30 0.86 -1.33 1.57 1.57 -1.30 -2.33 116.57 115.91 1hbr h LYS 71 Ca 0.13 -0.05 -0.61 0.00 -1.87 0.00 0.00 60.65 58.24 1hbr h LYS 71 Cb 0.05 -0.19 -0.39 0.00 0.08 0.00 0.00 32.23 31.78 1hbr h LYS 71 CO -0.09 0.57 -0.34 0.09 -0.57 0.00 0.00 179.45 179.10 1hbr n ASN 72 N -4.47 5.47 0.00 0.86 3.02 -0.80 -4.75 115.26 114.58 1hbr n ASN 72 Ca 0.11 -3.75 0.04 0.00 -0.03 0.00 0.00 54.58 50.95 1hbr n ASN 72 Cb 0.17 -0.56 0.21 0.00 -0.61 0.00 0.00 39.78 38.98 1hbr n ASN 72 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1hbr n VAL 73 N -0.59 1.01 -2.26 2.41 3.14 0.16 -2.88 118.33 119.32 1hbr n VAL 73 Ca 0.45 0.25 -0.30 0.00 -2.96 0.00 0.00 64.34 61.78 1hbr n VAL 73 Cb 0.68 -1.11 0.01 0.00 -1.06 0.00 0.00 33.84 32.37 1hbr n VAL 73 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1hbr n ASP 74 N -1.35 5.49 0.00 6.55 9.92 -1.26 -4.52 116.55 131.37 1hbr n ASP 74 Ca 0.03 -3.75 0.00 0.00 -0.53 0.00 0.00 54.79 50.54 1hbr n ASP 74 Cb 0.08 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 39.95 1hbr n ASP 74 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1hbr n ASN 75 N -0.54 0.00 -0.24 -2.24 2.85 -1.14 -5.06 115.26 108.89 1hbr n ASN 75 Ca 0.44 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.95 1hbr n ASN 75 Cb 0.60 0.00 0.14 0.00 1.24 0.00 0.00 39.78 41.76 1hbr n ASN 75 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1hbr h LEU 76 N 0.00 -0.30 -0.73 1.20 3.38 -1.77 -2.29 115.31 114.80 1hbr h LEU 76 Ca 0.00 0.18 0.16 0.00 0.09 0.00 0.00 57.88 58.31 1hbr h LEU 76 Cb 0.00 0.31 -0.11 0.00 0.09 0.00 0.00 40.66 40.95 1hbr h LEU 76 CO 0.00 -0.15 0.13 -1.28 0.09 0.00 0.00 178.44 177.23 1hbr h SER 77 N 0.12 -0.08 1.20 -0.43 0.87 -1.95 -1.26 113.55 112.02 1hbr h SER 77 Ca 0.39 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 1hbr h SER 77 Cb 0.66 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1hbr h SER 77 CO -0.61 -0.08 0.00 1.67 -0.53 0.00 0.00 176.83 177.28 1hbr n GLN 78 N -5.21 0.16 -0.08 2.24 -0.06 -0.87 -2.53 117.38 111.05 1hbr n GLN 78 Ca 0.14 0.18 -0.19 0.00 -2.00 0.00 0.00 57.00 55.12 1hbr n GLN 78 Cb 0.46 -1.71 -0.13 0.00 -4.06 0.00 0.00 30.24 24.81 1hbr n GLN 78 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1hbr n ALA 79 N -1.69 1.23 1.34 1.69 0.00 -0.58 -4.23 120.51 118.27 1hbr n ALA 79 Ca 0.05 -0.91 0.08 0.00 0.00 0.00 0.00 53.44 52.66 1hbr n ALA 79 Cb 0.37 -0.32 0.32 0.00 0.00 0.00 0.00 19.45 19.82 1hbr n ALA 79 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1hbr n MET 80 N -3.34 1.57 -0.25 0.00 2.00 -0.60 -4.48 117.12 112.02 1hbr n MET 80 Ca -0.41 -0.86 -0.10 0.00 0.00 0.00 0.00 57.70 56.33 1hbr n MET 80 Cb 1.01 -1.32 -0.06 0.00 0.00 0.00 0.00 33.22 32.85 1hbr n MET 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1hbr h ALA 81 N 3.79 -0.48 -0.93 3.04 0.00 -1.66 0.21 119.26 123.22 1hbr h ALA 81 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1hbr h ALA 81 Cb 0.36 1.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 1hbr h ALA 81 CO 0.00 -0.92 0.61 1.05 0.00 0.00 0.00 179.25 179.99 1hbr h GLU 82 N -0.21 1.13 -0.28 0.00 9.09 -1.90 -2.38 114.58 120.03 1hbr h GLU 82 Ca 0.15 -0.07 -0.14 0.00 0.05 0.00 0.00 59.36 59.35 1hbr h GLU 82 Cb 0.54 -0.26 -0.01 0.00 -1.65 0.00 0.00 28.75 27.38 1hbr h GLU 82 CO -0.74 0.75 -0.41 -0.07 0.05 0.00 0.00 179.01 178.58 1hbr h LEU 83 N 1.17 0.72 -0.68 3.06 3.38 -1.45 -2.02 115.31 119.49 1hbr h LEU 83 Ca 0.37 -0.33 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1hbr h LEU 83 Cb 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1hbr h LEU 83 CO -0.11 1.04 -0.37 0.77 0.09 0.00 0.00 178.44 179.86 1hbr h SER 84 N 0.55 0.64 -0.59 -0.43 4.64 -0.66 -1.00 113.55 116.70 1hbr h SER 84 Ca 0.04 -0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 1hbr h SER 84 Cb 0.94 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 1hbr h SER 84 CO 0.09 0.95 0.28 -1.13 -0.87 0.00 0.00 176.83 176.15 1hbr h ASN 85 N 0.51 0.78 0.20 4.97 -0.00 -1.32 0.28 115.58 121.00 1hbr h ASN 85 Ca 0.05 -0.13 -0.01 0.00 -0.00 0.00 0.00 56.30 56.21 1hbr h ASN 85 Cb 0.87 -0.20 0.00 0.00 -0.00 0.00 0.00 38.32 38.99 1hbr h ASN 85 CO 0.07 0.69 -0.10 0.25 -0.00 0.00 0.00 177.43 178.35 1hbr h LEU 86 N 0.81 -0.23 -0.47 0.34 6.46 -1.16 -1.51 115.31 119.56 1hbr h LEU 86 Ca 0.20 -0.24 -0.10 0.00 -0.12 0.00 0.00 57.88 57.63 1hbr h LEU 86 Cb 0.12 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1hbr h LEU 86 CO -0.03 0.14 -0.10 0.45 -0.62 0.00 0.00 178.44 178.28 1hbr h HIS 87 N -0.61 1.00 0.07 1.25 3.86 -1.08 0.19 115.15 119.83 1hbr h HIS 87 Ca -0.03 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 58.97 1hbr h HIS 87 Cb 0.45 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1hbr h HIS 87 CO 0.03 0.98 -0.04 0.00 0.86 0.00 0.00 177.93 179.76 1hbr h ALA 88 N 0.89 -0.19 0.43 2.45 0.00 -0.54 -0.25 119.26 122.05 1hbr h ALA 88 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1hbr h ALA 88 Cb 0.64 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1hbr h ALA 88 CO 0.04 -0.18 -0.21 0.10 0.00 0.00 0.00 179.25 179.01 1hbr h TYR 89 N -0.47 -0.53 -0.06 0.00 -0.00 -1.42 -2.41 116.97 112.08 1hbr h TYR 89 Ca -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 58.70 1hbr h TYR 89 Cb 0.08 0.18 -0.00 0.00 -0.00 0.00 0.00 36.73 36.98 1hbr h TYR 89 CO 0.02 -0.33 0.00 -0.91 -0.00 0.00 0.00 178.16 176.94 1hbr h ASN 90 N -0.85 0.10 0.56 0.10 2.35 -1.22 -3.36 115.58 113.26 1hbr h ASN 90 Ca -0.06 -0.31 -0.26 0.00 -0.55 0.00 0.00 56.30 55.12 1hbr h ASN 90 Cb 0.44 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.74 1hbr h ASN 90 CO 0.10 0.38 -1.62 -0.07 -1.65 0.00 0.00 177.43 174.57 1hbr h LEU 91 N -0.19 0.00 -1.53 1.61 3.38 -0.74 -3.49 115.31 114.35 1hbr h LEU 91 Ca 0.02 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.63 1hbr h LEU 91 Cb 0.33 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.23 1hbr h LEU 91 CO 0.00 0.91 -0.76 0.54 0.09 0.00 0.00 178.44 179.22 1hbr n ARG 92 N -3.02 -6.66 -2.31 1.13 5.12 -0.24 -4.91 116.66 105.76 1hbr n ARG 92 Ca -0.15 0.82 -0.42 0.00 -1.93 0.00 0.00 57.85 56.17 1hbr n ARG 92 Cb 1.00 -5.80 -0.03 0.00 -1.16 0.00 0.00 32.46 26.47 1hbr n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1hbr s VAL 93 N -3.38 3.94 0.11 1.55 1.01 -0.41 -4.96 120.40 118.26 1hbr s VAL 93 Ca 0.10 1.28 -0.31 0.00 0.00 0.00 0.00 61.98 63.05 1hbr s VAL 93 Cb -0.05 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 1hbr s VAL 93 CO 0.74 -0.02 1.71 -0.62 0.00 0.00 0.00 175.10 176.91 1hbr s ASP 94 N 1.84 6.51 0.57 3.32 -1.08 -1.26 -4.85 116.67 121.71 1hbr s ASP 94 Ca 0.61 2.64 0.31 0.00 -0.52 0.00 0.00 52.55 55.58 1hbr s ASP 94 Cb -0.28 -2.57 1.45 0.00 -1.46 0.00 0.00 42.92 40.05 1hbr s ASP 94 CO 0.24 -0.93 1.84 -0.65 0.52 0.00 0.00 175.17 176.19 1hbr h PRO 95 N 8.10 0.00 -0.66 4.34 0.11 -1.99 -0.60 132.00 141.29 1hbr h PRO 95 Ca -0.44 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.77 1hbr h PRO 95 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1hbr h PRO 95 CO 0.94 0.00 0.44 0.28 -0.21 0.00 0.00 178.00 179.45 1hbr h VAL 96 N 0.00 0.91 0.00 3.15 2.07 -2.02 -2.17 116.25 118.19 1hbr h VAL 96 Ca 0.35 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.64 1hbr h VAL 96 Cb 1.62 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1hbr h VAL 96 CO -0.00 0.09 -0.26 0.78 0.02 0.00 0.00 177.57 178.20 1hbr h ASN 97 N 0.52 0.00 -0.23 0.57 -0.26 -1.47 -2.59 115.58 112.12 1hbr h ASN 97 Ca 0.31 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 56.01 1hbr h ASN 97 Cb 0.51 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.75 1hbr h ASN 97 CO -0.10 0.26 0.04 -0.26 -1.06 0.00 0.00 177.43 176.32 1hbr h PHE 98 N 0.00 0.49 -0.56 1.19 0.04 -1.56 -1.32 116.94 115.23 1hbr h PHE 98 Ca -0.00 -0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.64 1hbr h PHE 98 Cb 0.49 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 1hbr h PHE 98 CO 0.00 0.45 -0.04 0.87 -0.60 0.00 0.00 178.31 179.00 1hbr h LYS 99 N 0.47 0.99 -0.33 1.51 1.79 -1.57 -1.72 116.57 117.72 1hbr h LYS 99 Ca 0.11 -0.32 -0.01 0.00 -2.18 0.00 0.00 60.65 58.24 1hbr h LYS 99 Cb 0.24 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1hbr h LYS 99 CO 0.00 1.00 0.15 -0.07 -1.08 0.00 0.00 179.45 179.45 1hbr h LEU 100 N 0.90 0.43 -0.57 2.94 3.38 -1.25 -1.56 115.31 119.58 1hbr h LEU 100 Ca 0.16 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1hbr h LEU 100 Cb 0.58 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1hbr h LEU 100 CO 0.03 0.45 0.06 0.25 0.09 0.00 0.00 178.44 179.33 1hbr h LEU 101 N 0.39 0.93 -0.91 1.67 5.85 -1.18 -2.57 115.31 119.49 1hbr h LEU 101 Ca 0.11 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1hbr h LEU 101 Cb 0.14 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 1hbr h LEU 101 CO -0.01 0.97 0.58 0.28 -0.34 0.00 0.00 178.44 179.92 1hbr h SER 102 N 0.85 0.93 -0.47 1.25 0.02 -1.05 -0.01 113.55 115.07 1hbr h SER 102 Ca 0.17 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.01 1hbr h SER 102 Cb 0.46 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1hbr h SER 102 CO 0.02 0.61 -0.17 -0.61 -1.14 0.00 0.00 176.83 175.54 1hbr h GLN 103 N 1.07 0.95 -0.56 3.45 4.15 -1.12 -2.38 115.11 120.67 1hbr h GLN 103 Ca 0.39 -0.39 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 1hbr h GLN 103 Cb 0.13 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1hbr h GLN 103 CO -0.16 1.05 0.09 0.00 -1.93 0.00 0.00 178.83 177.88 1hbr h ILE 105 N 0.85 1.26 -0.23 0.00 2.04 -0.96 -1.72 117.51 118.74 1hbr h ILE 105 Ca 0.18 -0.90 -0.11 0.00 1.00 0.00 0.00 64.86 65.03 1hbr h ILE 105 Cb 0.37 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1hbr h ILE 105 CO 0.01 0.35 -0.34 1.56 0.00 0.00 0.00 178.15 179.73 1hbr h GLN 106 N 1.04 0.48 -0.47 2.37 4.20 -0.82 -2.26 115.11 119.66 1hbr h GLN 106 Ca 0.23 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 1hbr h GLN 106 Cb 0.31 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1hbr h GLN 106 CO -0.01 0.76 -0.05 0.28 -0.67 0.00 0.00 178.83 179.14 1hbr h VAL 107 N 0.41 1.25 -0.56 -0.54 2.07 -0.63 -0.67 116.25 117.58 1hbr h VAL 107 Ca 0.05 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1hbr h VAL 107 Cb 0.79 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1hbr h VAL 107 CO 0.06 0.38 0.18 0.58 0.02 0.00 0.00 177.57 178.79 1hbr h VAL 108 N 0.74 1.24 -0.54 2.57 2.07 -1.01 -1.22 116.25 120.09 1hbr h VAL 108 Ca 0.13 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 1hbr h VAL 108 Cb 0.52 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1hbr h VAL 108 CO 0.03 0.30 -0.00 -0.07 0.02 0.00 0.00 177.57 177.85 1hbr h LEU 109 N 0.78 0.94 -0.78 2.57 4.07 -1.07 -2.51 115.31 119.32 1hbr h LEU 109 Ca 0.18 -0.31 -0.08 0.00 0.08 0.00 0.00 57.88 57.75 1hbr h LEU 109 Cb 0.28 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 1hbr h LEU 109 CO -0.01 1.02 0.03 0.00 -1.08 0.00 0.00 178.44 178.40 1hbr h ALA 110 N 0.96 0.98 -0.64 1.53 0.00 -0.94 0.23 119.26 121.37 1hbr h ALA 110 Ca 0.15 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1hbr h ALA 110 Cb 0.54 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1hbr h ALA 110 CO 0.03 0.63 0.20 0.28 0.00 0.00 0.00 179.25 180.38 1hbr h VAL 111 N 0.89 1.24 0.00 0.00 2.07 -1.06 0.10 116.25 119.49 1hbr h VAL 111 Ca 0.17 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1hbr h VAL 111 Cb 0.48 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1hbr h VAL 111 CO 0.02 0.32 -1.21 1.41 0.02 0.00 0.00 177.57 178.13 1hbr n HIS 112 N -4.27 0.22 0.47 1.57 -0.00 -0.96 -4.25 115.22 107.99 1hbr n HIS 112 Ca 0.05 0.06 0.06 0.00 -0.00 0.00 0.00 57.72 57.90 1hbr n HIS 112 Cb 0.22 -0.42 -0.08 0.00 -0.00 0.00 0.00 29.99 29.71 1hbr n HIS 112 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1hbr n MET 113 N -1.99 2.01 0.00 -0.41 2.81 0.80 -5.05 117.12 115.28 1hbr n MET 113 Ca 0.01 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1hbr n MET 113 Cb 0.45 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 1hbr n MET 113 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1hbr n GLY 114 N 1.42 2.57 0.47 3.03 0.00 0.02 -0.21 105.19 112.49 1hbr n GLY 114 Ca 0.01 -0.03 0.27 0.00 0.00 0.00 0.00 46.02 46.27 1hbr n GLY 114 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1hbr h LYS 115 N 0.00 0.00 0.00 1.61 -0.00 -1.97 0.10 116.57 116.31 1hbr h LYS 115 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1hbr h LYS 115 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1hbr h LYS 115 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 179.45 179.20 1hbr n ASP 116 N -3.78 0.63 -4.39 7.07 8.00 0.71 -3.87 116.55 120.92 1hbr n ASP 116 Ca 0.17 0.66 -0.44 0.00 0.71 0.00 0.00 54.79 55.89 1hbr n ASP 116 Cb 1.02 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 1hbr n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hbr n TYR 117 N -2.20 4.62 -1.86 1.24 9.36 0.36 -4.91 117.16 123.77 1hbr n TYR 117 Ca 0.02 -3.18 -0.31 0.00 3.32 0.00 0.00 57.90 57.75 1hbr n TYR 117 Cb 0.23 -2.26 0.02 0.00 -0.63 0.00 0.00 39.34 36.69 1hbr n TYR 117 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1hbr s THR 118 N 1.98 4.47 0.30 2.97 -4.23 -1.25 -4.78 115.64 115.10 1hbr s THR 118 Ca 0.45 0.80 0.06 0.00 -1.18 0.00 0.00 61.69 61.82 1hbr s THR 118 Cb 0.01 -3.78 0.30 0.00 1.34 0.00 0.00 72.50 70.36 1hbr s THR 118 CO 0.01 -1.05 1.72 -0.65 -0.54 0.00 0.00 174.62 174.12 1hbr h PRO 119 N -0.39 0.50 -0.26 3.99 0.11 -1.93 0.27 132.00 134.29 1hbr h PRO 119 Ca -0.44 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1hbr h PRO 119 Cb 1.20 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1hbr h PRO 119 CO 0.62 0.33 0.07 0.93 -0.21 0.00 0.00 178.00 179.75 1hbr h GLU 120 N 0.52 0.41 -0.45 1.05 5.08 -1.98 0.69 114.58 119.90 1hbr h GLU 120 Ca 0.59 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.78 1hbr h GLU 120 Cb 1.09 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1hbr h GLU 120 CO -0.48 0.50 -0.01 0.28 -1.00 0.00 0.00 179.01 178.29 1hbr h VAL 121 N 0.25 1.26 -0.32 3.13 2.07 -1.48 -1.84 116.25 119.32 1hbr h VAL 121 Ca 0.08 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.59 1hbr h VAL 121 Cb 0.27 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1hbr h VAL 121 CO -0.00 0.37 -0.01 -0.74 0.02 0.00 0.00 177.57 177.21 1hbr h HIS 122 N 0.65 -0.03 -0.48 1.57 -0.00 -0.36 0.15 115.15 116.64 1hbr h HIS 122 Ca 0.13 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.50 1hbr h HIS 122 Cb 0.51 0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.97 1hbr h HIS 122 CO 0.04 -0.07 0.21 0.00 -0.00 0.00 0.00 177.93 178.11 1hbr h ALA 123 N 1.28 0.62 -0.51 5.26 0.00 -0.71 0.46 119.26 125.67 1hbr h ALA 123 Ca 0.15 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1hbr h ALA 123 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1hbr h ALA 123 CO -0.27 0.21 -0.12 0.00 0.00 0.00 0.00 179.25 179.08 1hbr h ALA 124 N 1.05 0.70 -0.30 0.00 0.00 -0.91 -2.56 119.26 117.24 1hbr h ALA 124 Ca 0.16 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1hbr h ALA 124 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1hbr h ALA 124 CO -0.02 0.61 -0.38 0.35 0.00 0.00 0.00 179.25 179.82 1hbr h PHE 125 N 0.84 0.81 -0.46 0.00 3.57 -0.56 -2.17 116.94 118.97 1hbr h PHE 125 Ca 0.13 -0.23 -0.04 0.00 3.53 0.00 0.00 57.97 61.36 1hbr h PHE 125 Cb 0.68 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1hbr h PHE 125 CO 0.05 0.96 0.12 0.22 -2.23 0.00 0.00 178.31 177.43 1hbr h ASP 126 N 0.57 0.63 -0.17 0.41 3.58 -0.80 -0.12 116.42 120.51 1hbr h ASP 126 Ca 0.05 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.35 1hbr h ASP 126 Cb 0.91 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 1hbr h ASP 126 CO 0.08 0.62 -0.11 0.11 -2.88 0.00 0.00 179.24 177.06 1hbr h LYS 127 N 0.67 0.38 -0.14 0.28 1.57 -1.25 -2.00 116.57 116.06 1hbr h LYS 127 Ca 0.15 -0.18 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1hbr h LYS 127 Cb 0.23 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1hbr h LYS 127 CO -0.01 0.71 -0.03 0.35 -0.57 0.00 0.00 179.45 179.90 1hbr h PHE 128 N 0.05 -0.07 -0.56 -1.35 3.57 -0.93 0.51 116.94 118.16 1hbr h PHE 128 Ca 0.04 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1hbr h PHE 128 Cb 0.60 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1hbr h PHE 128 CO 0.07 -0.06 0.22 -0.07 -2.23 0.00 0.00 178.31 176.25 1hbr h LEU 129 N 0.00 0.77 -1.11 0.59 3.38 -1.05 -0.66 115.31 117.24 1hbr h LEU 129 Ca 0.07 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1hbr h LEU 129 Cb 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1hbr h LEU 129 CO -0.14 0.73 0.05 0.77 0.09 0.00 0.00 178.44 179.93 1hbr h SER 130 N 0.77 0.63 -0.17 -0.43 4.64 -1.12 0.57 113.55 118.44 1hbr h SER 130 Ca 0.19 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1hbr h SER 130 Cb 0.20 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1hbr h SER 130 CO -0.02 0.67 0.04 0.00 -0.87 0.00 0.00 176.83 176.66 1hbr h ALA 131 N 1.41 0.23 -0.84 5.18 0.00 -0.48 -1.14 119.26 123.62 1hbr h ALA 131 Ca 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1hbr h ALA 131 Cb 0.33 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1hbr h ALA 131 CO 0.01 -0.13 0.46 0.28 0.00 0.00 0.00 179.25 179.87 1hbr h VAL 132 N 0.08 1.25 -0.46 0.00 2.07 -0.74 -2.27 116.25 116.17 1hbr h VAL 132 Ca 0.05 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 1hbr h VAL 132 Cb 0.27 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1hbr h VAL 132 CO 0.00 0.28 0.06 0.28 0.02 0.00 0.00 177.57 178.21 1hbr h SER 133 N 1.17 0.68 -0.50 0.57 0.02 -0.67 -2.64 113.55 112.18 1hbr h SER 133 Ca 0.29 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1hbr h SER 133 Cb 0.03 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1hbr h SER 133 CO -0.05 0.71 0.06 0.00 -1.14 0.00 0.00 176.83 176.41 1hbr h ALA 134 N 1.37 0.66 0.00 3.77 0.00 -0.66 -2.71 119.26 121.70 1hbr h ALA 134 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1hbr h ALA 134 Cb 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1hbr h ALA 134 CO 0.01 0.42 0.00 0.28 0.00 0.00 0.00 179.25 179.95 1hbr h VAL 135 N 0.71 0.00 0.00 0.00 2.07 -1.22 -2.11 116.25 115.70 1hbr h VAL 135 Ca 0.15 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1hbr h VAL 135 Cb 0.43 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1hbr h VAL 135 CO 0.01 0.00 -0.65 -0.07 0.02 0.00 0.00 177.57 176.88 1hbr h LEU 136 N 0.00 0.00 -3.12 2.57 3.38 -1.16 -3.25 115.31 113.74 1hbr h LEU 136 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1hbr h LEU 136 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1hbr h LEU 136 CO 0.00 0.05 -0.13 0.00 0.09 0.00 0.00 178.44 178.46 1hbr n ALA 137 N -2.17 3.08 0.13 1.53 0.00 -1.07 -4.17 120.51 117.85 1hbr n ALA 137 Ca 0.01 -2.81 0.01 0.00 0.00 0.00 0.00 53.44 50.65 1hbr n ALA 137 Cb 0.57 -0.51 0.04 0.00 0.00 0.00 0.00 19.45 19.55 1hbr n ALA 137 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1hbr h GLU 138 N 0.77 0.00 -0.88 0.00 4.81 -1.42 -3.20 114.58 114.67 1hbr h GLU 138 Ca 0.04 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.07 1hbr h GLU 138 Cb 1.21 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.47 1hbr h GLU 138 CO 0.11 0.60 0.26 1.63 -0.73 0.00 0.00 179.01 180.88 1hbr n LYS 139 N -3.31 2.66 -2.01 1.92 4.76 -1.26 -4.90 118.16 116.01 1hbr n LYS 139 Ca 0.01 -2.11 -0.28 0.00 -2.87 0.00 0.00 58.31 53.07 1hbr n LYS 139 Cb 0.75 -1.91 -0.05 0.00 -1.84 0.00 0.00 35.03 31.98 1hbr n LYS 139 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1hbr s TYR 140 N -2.24 1.73 0.00 2.13 2.02 -1.21 -4.69 117.35 115.09 1hbr s TYR 140 Ca 0.38 0.75 0.00 0.00 -0.37 0.00 0.00 57.07 57.83 1hbr s TYR 140 Cb 0.31 -4.01 0.00 0.00 -0.40 0.00 0.00 41.96 37.86 1hbr s TYR 140 CO 0.09 -1.82 0.00 0.54 -1.57 0.00 0.00 175.55 172.79