#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbr n LEU 2 N 0.00 3.11 0.00 -0.89 4.77 -1.26 -4.96 117.00 117.77 1hbr n LEU 2 Ca 0.00 0.77 -0.28 0.00 -0.03 0.00 0.00 56.01 56.48 1hbr n LEU 2 Cb 0.00 -1.36 0.19 0.00 -2.33 0.00 0.00 43.42 39.92 1hbr n LEU 2 CO 0.00 -0.28 0.83 1.07 -1.33 0.00 0.00 177.39 177.67 1hbr n THR 3 N 5.86 0.00 0.02 -5.08 5.66 -1.26 -5.01 114.28 114.47 1hbr n THR 3 Ca 0.27 -0.93 -0.11 0.00 -3.05 0.00 0.00 64.05 60.23 1hbr n THR 3 Cb 0.29 -1.53 -0.09 0.00 -1.55 0.00 0.00 70.33 67.45 1hbr n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hbr h ALA 4 N -1.79 -0.13 -0.74 1.79 0.00 -2.01 -3.19 119.26 113.21 1hbr h ALA 4 Ca -0.40 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1hbr h ALA 4 Cb 1.12 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1hbr h ALA 4 CO 0.29 -0.23 0.43 1.49 0.00 0.00 0.00 179.25 181.22 1hbr h GLU 5 N -0.81 1.01 -0.92 0.00 4.81 -2.01 -1.99 114.58 114.68 1hbr h GLU 5 Ca -0.01 -0.10 0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1hbr h GLU 5 Cb 0.58 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.70 1hbr h GLU 5 CO 0.02 0.73 0.60 -0.44 -0.73 0.00 0.00 179.01 179.19 1hbr h ASP 6 N 1.01 0.94 -0.59 1.04 3.32 -1.97 -0.59 116.42 119.59 1hbr h ASP 6 Ca 0.26 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.42 1hbr h ASP 6 Cb -0.00 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 1hbr h ASP 6 CO -0.05 0.62 0.40 0.11 -1.72 0.00 0.00 179.24 178.60 1hbr h LYS 7 N 1.08 0.35 -0.07 3.56 1.57 -1.34 0.02 116.57 121.74 1hbr h LYS 7 Ca 0.38 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.95 1hbr h LYS 7 Cb 0.14 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.38 1hbr h LYS 7 CO -0.14 0.23 -0.73 0.87 -0.57 0.00 0.00 179.45 179.12 1hbr h LYS 8 N 0.36 0.61 0.13 3.15 1.57 -1.05 -2.82 116.57 118.52 1hbr h LYS 8 Ca 0.27 -0.57 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1hbr h LYS 8 Cb 0.60 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1hbr h LYS 8 CO -0.07 1.18 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.86 1hbr h LEU 9 N 0.24 -0.14 -2.02 2.94 3.38 -0.53 -1.65 115.31 117.54 1hbr h LEU 9 Ca -0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1hbr h LEU 9 Cb 1.38 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.17 1hbr h LEU 9 CO 0.15 0.09 -0.10 0.16 0.09 0.00 0.00 178.44 178.83 1hbr h ILE 10 N -0.38 0.57 -0.00 1.22 3.07 -1.16 0.54 117.51 121.37 1hbr h ILE 10 Ca -0.02 -0.43 -0.20 0.00 1.55 0.00 0.00 64.86 65.76 1hbr h ILE 10 Cb 0.30 1.27 -0.01 0.00 -0.27 0.00 0.00 36.82 38.12 1hbr h ILE 10 CO 0.03 0.09 -0.88 -0.61 -1.05 0.00 0.00 178.15 175.73 1hbr h GLN 11 N 0.00 0.26 0.00 0.16 4.15 -1.21 0.29 115.11 118.76 1hbr h GLN 11 Ca -0.00 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.14 1hbr h GLN 11 Cb 0.27 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1hbr h GLN 11 CO 0.01 0.99 -0.45 0.37 -1.93 0.00 0.00 178.83 177.82 1hbr h GLN 12 N 0.15 0.00 0.17 1.69 4.15 -0.26 -1.50 115.11 119.51 1hbr h GLN 12 Ca -0.05 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.06 1hbr h GLN 12 Cb 1.51 0.00 0.02 0.00 0.21 0.00 0.00 27.48 29.22 1hbr h GLN 12 CO 0.14 0.00 -1.38 0.00 -1.93 0.00 0.00 178.83 175.66 1hbr h ALA 13 N 2.01 0.03 -0.16 3.38 0.00 -0.89 -3.35 119.26 120.27 1hbr h ALA 13 Ca 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 54.91 53.96 1hbr h ALA 13 Cb 0.99 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1hbr h ALA 13 CO 0.00 0.90 -0.03 2.35 0.00 0.00 0.00 179.25 182.47 1hbr h TRP 14 N 0.10 0.35 -1.05 0.00 -0.00 -0.88 -2.76 115.95 111.72 1hbr h TRP 14 Ca -0.20 -0.07 0.30 0.00 -0.00 0.00 0.00 58.89 58.92 1hbr h TRP 14 Cb 2.05 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.16 31.09 1hbr h TRP 14 CO 0.09 0.57 0.87 0.93 -0.00 0.00 0.00 178.44 180.90 1hbr h GLU 15 N 0.02 0.00 0.09 2.65 5.08 -1.40 0.68 114.58 121.70 1hbr h GLU 15 Ca 0.04 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 1hbr h GLU 15 Cb 0.46 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.72 1hbr h GLU 15 CO 0.01 0.00 -0.69 -0.22 -1.00 0.00 0.00 179.01 177.11 1hbr h LYS 16 N 0.00 0.32 -0.19 2.33 1.63 -1.63 -3.36 116.57 115.66 1hbr h LYS 16 Ca 0.50 -0.46 -0.20 0.00 -0.85 0.00 0.00 60.65 59.64 1hbr h LYS 16 Cb 2.23 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 34.02 1hbr h LYS 16 CO -0.01 1.18 -0.68 0.00 -3.45 0.00 0.00 179.45 176.49 1hbr h ALA 17 N 0.16 0.42 -0.37 5.00 0.00 -0.06 -3.29 119.26 121.11 1hbr h ALA 17 Ca -0.11 -0.57 0.11 0.00 0.00 0.00 0.00 54.91 54.34 1hbr h ALA 17 Cb 1.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1hbr h ALA 17 CO 0.13 0.69 0.68 0.00 0.00 0.00 0.00 179.25 180.76 1hbr h ALA 18 N 0.67 2.07 -0.15 0.00 0.00 -0.04 0.23 119.26 122.04 1hbr h ALA 18 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1hbr h ALA 18 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1hbr h ALA 18 CO 0.14 -0.87 0.00 -1.13 0.00 0.00 0.00 179.25 177.39 1hbr n SER 19 N -3.17 3.15 -1.61 0.00 3.41 -1.24 -4.32 113.62 109.83 1hbr n SER 19 Ca 0.07 -1.99 0.04 0.00 -0.26 0.00 0.00 58.87 56.72 1hbr n SER 19 Cb 0.82 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.71 1hbr n SER 19 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1hbr n HIS 20 N 1.39 0.11 -0.25 7.33 8.25 0.79 -4.97 115.22 127.86 1hbr n HIS 20 Ca 0.16 -0.64 -0.03 0.00 -0.26 0.00 0.00 57.72 56.94 1hbr n HIS 20 Cb 0.60 -0.15 0.03 0.00 1.12 0.00 0.00 29.99 31.59 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 1.13 -0.10 -0.37 -0.41 4.20 -1.69 0.20 115.11 118.08 1hbr h GLN 21 Ca -0.22 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.51 1hbr h GLN 21 Cb 1.84 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.62 1hbr h GLN 21 CO 0.10 -0.07 0.20 1.49 -0.67 0.00 0.00 178.83 179.89 1hbr h GLU 22 N -0.10 0.40 0.00 1.46 4.81 -1.89 0.27 114.58 119.53 1hbr h GLU 22 Ca 0.28 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1hbr h GLU 22 Cb 0.56 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1hbr h GLU 22 CO -0.77 0.26 -0.00 0.93 -0.73 0.00 0.00 179.01 178.70 1hbr h GLU 23 N 0.41 -0.01 -0.54 1.92 3.07 -1.73 -1.79 114.58 115.92 1hbr h GLU 23 Ca 0.15 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 1hbr h GLU 23 Cb 0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 1hbr h GLU 23 CO -0.09 0.56 0.31 0.74 -1.40 0.00 0.00 179.01 179.13 1hbr h PHE 24 N -0.57 0.72 -0.28 4.33 -1.00 -0.59 0.66 116.94 120.22 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 0.56 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.88 1hbr h PHE 24 CO 0.12 0.51 0.14 0.78 -1.61 0.00 0.00 178.31 178.26 1hbr h GLY 25 N 0.72 0.42 1.00 -1.45 0.00 -0.52 -0.13 103.07 103.10 1hbr h GLY 25 Ca 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1hbr h GLY 25 CO -0.03 0.19 0.26 0.00 0.00 0.00 0.00 176.54 176.95 1hbr h ALA 26 N 1.01 0.79 -0.47 3.60 0.00 -1.06 -2.01 119.26 121.12 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 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1hbr h ALA 26 CO -0.01 0.39 -0.09 1.49 0.00 0.00 0.00 179.25 181.03 1hbr h GLU 27 N 0.85 0.84 0.35 0.00 4.81 -0.66 -1.11 114.58 119.65 1hbr h GLU 27 Ca 0.21 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1hbr h GLU 27 Cb 0.18 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1hbr h GLU 27 CO -0.02 0.90 -0.17 0.00 -0.73 0.00 0.00 179.01 178.99 1hbr h ALA 28 N 1.14 -0.46 -0.57 2.92 0.00 -0.64 -0.16 119.26 121.49 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 0.58 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1hbr h ALA 28 CO 0.04 -0.76 0.31 -0.07 0.00 0.00 0.00 179.25 178.77 1hbr h LEU 29 N -0.47 0.72 -0.77 0.00 4.07 -1.28 -1.16 115.31 116.42 1hbr h LEU 29 Ca -0.05 -0.10 0.03 0.00 0.08 0.00 0.00 57.88 57.85 1hbr h LEU 29 Cb 0.36 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.87 1hbr h LEU 29 CO 0.08 0.61 0.49 0.74 -1.08 0.00 0.00 178.44 179.28 1hbr h THR 30 N 0.77 1.11 -0.46 0.22 2.02 -1.04 0.36 112.91 115.89 1hbr h THR 30 Ca 0.20 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 1hbr h THR 30 Cb 0.06 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 1hbr h THR 30 CO -0.03 0.17 0.12 0.03 0.37 0.00 0.00 175.52 176.18 1hbr h ARG 31 N 0.94 0.73 0.42 6.66 3.08 -0.57 -0.90 114.38 124.75 1hbr h ARG 31 Ca 0.31 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 1hbr h ARG 31 Cb 0.02 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1hbr h ARG 31 CO -0.11 0.71 -0.22 1.98 -1.07 0.00 0.00 179.97 181.26 1hbr h MET 32 N 0.61 -0.57 -0.65 0.04 4.05 -0.53 0.16 114.93 118.05 1hbr h MET 32 Ca 0.15 0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.65 1hbr h MET 32 Cb 0.30 0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 31.20 1hbr h MET 32 CO -0.00 -0.38 0.43 0.74 0.23 0.00 0.00 176.91 177.93 1hbr h PHE 33 N -0.59 0.70 -0.03 1.39 0.04 -0.88 0.49 116.94 118.05 1hbr h PHE 33 Ca -0.05 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.66 1hbr h PHE 33 Cb 0.47 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1hbr h PHE 33 CO -0.06 0.39 -0.28 1.15 -0.60 0.00 0.00 178.31 178.91 1hbr h THR 34 N 0.71 1.48 0.14 -1.55 2.02 -0.82 -3.09 112.91 111.80 1hbr h THR 34 Ca 0.27 -1.80 -0.29 0.00 0.77 0.00 0.00 66.41 65.36 1hbr h THR 34 Cb 0.17 2.52 0.02 0.00 -1.74 0.00 0.00 68.15 69.12 1hbr h THR 34 CO -0.08 0.50 -1.27 0.74 0.37 0.00 0.00 175.52 175.79 1hbr h THR 35 N -0.33 1.37 -2.52 3.16 2.02 -0.44 -3.39 112.91 112.80 1hbr h THR 35 Ca -0.03 -2.73 -0.60 0.00 0.77 0.00 0.00 66.41 63.82 1hbr h THR 35 Cb 0.97 2.84 -0.42 0.00 -1.74 0.00 0.00 68.15 69.80 1hbr h THR 35 CO 0.06 0.81 -0.63 -1.22 0.37 0.00 0.00 175.52 174.91 1hbr n TYR 36 N -3.68 3.13 -0.33 3.16 4.01 0.17 -4.96 117.16 118.66 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 1.01 -0.54 0.49 0.00 -0.31 0.00 0.00 39.34 39.99 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 4.66 0.27 -0.58 -0.72 0.11 -1.70 -0.61 132.00 133.43 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 0.71 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 1hbr h PRO 37 CO 0.76 0.18 0.57 -0.56 -0.21 0.00 0.00 178.00 178.74 1hbr h GLN 38 N 0.28 0.00 0.00 1.05 -0.00 -1.92 -0.38 115.11 114.13 1hbr h GLN 38 Ca 0.75 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.39 1hbr h GLN 38 Cb 1.76 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 29.24 1hbr h GLN 38 CO -0.63 0.00 -0.07 1.79 -0.00 0.00 0.00 178.83 179.92 1hbr h THR 39 N 0.00 0.20 -0.19 1.86 1.35 -1.44 -2.87 112.91 111.83 1hbr h THR 39 Ca 0.27 -0.60 0.05 0.00 -0.55 0.00 0.00 66.41 65.59 1hbr h THR 39 Cb 1.42 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 69.32 1hbr h THR 39 CO -0.00 0.07 0.14 0.11 -0.25 0.00 0.00 175.52 175.58 1hbr h LYS 40 N 0.00 0.00 -0.59 4.72 1.57 -1.26 -1.72 116.57 119.28 1hbr h LYS 40 Ca -0.00 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.95 1hbr h LYS 40 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1hbr h LYS 40 CO 0.01 0.00 0.58 1.15 -0.57 0.00 0.00 179.45 180.62 1hbr h THR 41 N 0.00 0.36 0.00 -0.16 2.02 -1.70 0.13 112.91 113.57 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 0.37 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 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 -3.77 0.21 -2.99 3.16 4.02 -0.65 -4.21 117.16 112.94 1hbr n TYR 42 Ca 0.12 0.06 -0.25 0.00 -0.01 0.00 0.00 57.90 57.81 1hbr n TYR 42 Cb 0.81 -0.50 -0.04 0.00 -0.02 0.00 0.00 39.34 39.59 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 -1.70 3.35 0.28 -0.72 3.72 0.47 -4.86 117.46 117.99 1hbr n PHE 43 Ca 0.06 -3.97 0.17 0.00 -0.05 0.00 0.00 57.45 53.66 1hbr n PHE 43 Cb 0.37 -0.48 0.70 0.00 -0.94 0.00 0.00 39.48 39.13 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 2.98 0.00 0.00 -1.08 0.13 -1.73 -2.57 132.00 129.73 1hbr h PRO 44 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1hbr h PRO 44 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1hbr h PRO 44 CO 0.76 0.02 -0.44 -2.39 -0.23 0.00 0.00 178.00 175.72 1hbr n HIS 45 N -3.13 0.52 -2.83 1.56 1.44 -1.26 -4.93 115.22 106.58 1hbr n HIS 45 Ca 0.00 0.15 -0.29 0.00 -2.01 0.00 0.00 57.72 55.57 1hbr n HIS 45 Cb 0.30 -0.65 -0.02 0.00 0.12 0.00 0.00 29.99 29.74 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 -3.12 3.50 -0.44 -1.40 0.40 -0.97 -5.04 117.98 110.90 1hbr s PHE 46 Ca 0.08 0.94 -0.17 0.00 -0.60 0.00 0.00 56.93 57.18 1hbr s PHE 46 Cb 0.14 -2.37 0.04 0.00 0.51 0.00 0.00 43.02 41.33 1hbr s PHE 46 CO 0.68 -0.13 0.46 0.34 0.70 0.00 0.00 175.22 177.26 1hbr s ASP 47 N -3.43 6.19 -0.08 1.36 2.15 -1.26 -4.94 116.67 116.66 1hbr s ASP 47 Ca 0.49 -0.84 0.01 0.00 0.43 0.00 0.00 52.55 52.64 1hbr s ASP 47 Cb -0.10 -2.23 0.13 0.00 -0.30 0.00 0.00 42.92 40.43 1hbr s ASP 47 CO 0.35 -0.64 1.11 0.18 -0.17 0.00 0.00 175.17 176.00 1hbr n LEU 48 N 5.61 3.46 -4.74 -1.34 4.32 -1.26 -4.48 117.00 118.58 1hbr n LEU 48 Ca -0.08 -1.77 -0.41 0.00 -0.02 0.00 0.00 56.01 53.73 1hbr n LEU 48 Cb 0.46 -0.56 -0.04 0.00 -1.62 0.00 0.00 43.42 41.66 1hbr n LEU 48 CO 0.47 0.57 0.76 -0.44 -1.22 0.00 0.00 177.39 177.53 1hbr s SER 49 N 0.45 7.33 0.38 -1.43 0.01 -1.26 -4.93 113.70 114.24 1hbr s SER 49 Ca 0.11 2.06 0.20 0.00 1.31 0.00 0.00 55.95 59.63 1hbr s SER 49 Cb 0.09 -2.61 1.21 0.00 0.21 0.00 0.00 66.02 64.92 1hbr s SER 49 CO 0.02 -0.16 1.65 -0.65 0.41 0.00 0.00 173.24 174.52 1hbr h PRO 50 N 4.92 0.23 -0.67 12.44 0.11 -2.00 0.22 132.00 147.25 1hbr h PRO 50 Ca -0.44 -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 0.71 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 179.06 1hbr n GLY 51 N -1.36 2.50 3.63 -0.55 0.00 -1.26 -4.88 105.19 103.27 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 2.06 0.02 1.61 2.88 0.79 -4.86 113.62 117.37 1hbr n SER 52 Ca 0.25 1.16 -0.01 0.00 -1.33 0.00 0.00 58.87 58.94 1hbr n SER 52 Cb 0.78 -1.35 0.27 0.00 -0.75 0.00 0.00 64.21 63.16 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 3.25 0.45 0.50 -3.46 5.19 -1.89 -2.01 116.42 118.44 1hbr h ASP 53 Ca -0.43 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 55.84 1hbr h ASP 53 Cb 1.31 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1hbr h ASP 53 CO 0.69 0.60 -0.24 1.56 -3.12 0.00 0.00 179.24 178.73 1hbr h GLN 54 N 0.43 -0.65 -0.03 3.56 4.20 -1.89 0.79 115.11 121.53 1hbr h GLN 54 Ca 0.08 0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.87 1hbr h GLN 54 Cb 0.46 0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.33 1hbr h GLN 54 CO 0.03 -0.35 -0.39 0.28 -0.67 0.00 0.00 178.83 177.73 1hbr h VAL 55 N -0.89 0.20 -0.66 -0.54 2.07 -1.75 0.26 116.25 114.94 1hbr h VAL 55 Ca -0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.57 1hbr h VAL 55 Cb 0.60 0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 1hbr h VAL 55 CO 0.11 0.00 0.23 -0.09 0.02 0.00 0.00 177.57 177.84 1hbr h ARG 56 N -0.52 0.37 -0.72 1.57 2.43 -1.38 0.50 114.38 116.63 1hbr h ARG 56 Ca 0.06 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1hbr h ARG 56 Cb 0.62 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1hbr h ARG 56 CO -0.32 0.25 0.27 0.78 -1.51 0.00 0.00 179.97 179.43 1hbr h GLY 57 N 0.39 1.17 0.37 2.80 0.00 0.11 -1.52 103.07 106.38 1hbr h GLY 57 Ca 0.35 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1hbr h GLY 57 CO -0.37 0.61 -0.01 0.84 0.00 0.00 0.00 176.54 177.61 1hbr h HIS 58 N 1.06 -0.03 -0.98 5.60 -0.00 0.89 -3.00 115.15 118.69 1hbr h HIS 58 Ca 0.24 -0.00 0.25 0.00 -0.00 0.00 0.00 60.37 60.86 1hbr h HIS 58 Cb 0.23 0.01 -0.13 0.00 -0.00 0.00 0.00 27.41 27.53 1hbr h HIS 58 CO 0.02 0.57 0.55 0.78 -0.00 0.00 0.00 177.93 179.85 1hbr h GLY 59 N -0.66 1.84 1.40 5.26 0.00 0.07 0.51 103.07 111.48 1hbr h GLY 59 Ca -0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 1hbr h GLY 59 CO 0.01 -0.27 -0.03 1.70 0.00 0.00 0.00 176.54 177.95 1hbr h LYS 60 N 0.52 0.73 -0.18 4.80 3.64 -1.29 -1.70 116.57 123.10 1hbr h LYS 60 Ca 0.63 -0.20 -0.19 0.00 -1.27 0.00 0.00 60.65 59.62 1hbr h LYS 60 Cb 1.23 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1hbr h LYS 60 CO -0.50 0.76 -0.66 0.87 -2.27 0.00 0.00 179.45 177.65 1hbr h LYS 61 N 0.68 0.69 0.64 1.90 1.57 0.05 -2.27 116.57 119.84 1hbr h LYS 61 Ca 0.13 -0.50 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 1hbr h LYS 61 Cb 0.46 0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.86 1hbr h LYS 61 CO 0.02 1.12 -0.31 0.28 -0.57 0.00 0.00 179.45 179.99 1hbr h VAL 62 N 0.50 0.34 0.00 0.50 2.07 -0.62 -1.93 116.25 117.11 1hbr h VAL 62 Ca -0.02 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1hbr h VAL 62 Cb 1.26 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1hbr h VAL 62 CO 0.13 0.01 -0.08 -0.07 0.02 0.00 0.00 177.57 177.58 1hbr h LEU 63 N -0.92 0.00 -0.43 2.57 4.07 -1.40 -1.35 115.31 117.85 1hbr h LEU 63 Ca -0.09 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.78 1hbr h LEU 63 Cb 0.68 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 1hbr h LEU 63 CO 0.14 0.08 -0.11 1.23 -1.08 0.00 0.00 178.44 178.71 1hbr h GLY 64 N 0.51 0.89 0.97 0.83 0.00 -1.09 -1.51 103.07 103.67 1hbr h GLY 64 Ca -0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 1hbr h GLY 64 CO 0.01 0.68 0.20 0.00 0.00 0.00 0.00 176.54 177.43 1hbr h ALA 65 N 0.86 0.64 -0.96 3.60 0.00 -0.48 -2.18 119.26 120.75 1hbr h ALA 65 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1hbr h ALA 65 Cb 0.64 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1hbr h ALA 65 CO 0.04 0.25 0.59 -0.07 0.00 0.00 0.00 179.25 180.06 1hbr h LEU 66 N 0.66 1.14 -0.47 0.00 3.38 -1.28 0.49 115.31 119.23 1hbr h LEU 66 Ca 0.16 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1hbr h LEU 66 Cb 0.19 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1hbr h LEU 66 CO -0.01 0.87 0.27 1.23 0.09 0.00 0.00 178.44 180.88 1hbr h GLY 67 N 1.32 0.65 2.00 0.83 0.00 -0.82 0.92 103.07 107.98 1hbr h GLY 67 Ca 0.35 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.42 1hbr h GLY 67 CO -0.07 0.16 -0.31 -0.57 0.00 0.00 0.00 176.54 175.76 1hbr h ASN 68 N 0.53 0.00 -0.36 0.19 -0.73 -0.80 -1.88 115.58 112.53 1hbr h ASN 68 Ca 0.19 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.31 1hbr h ASN 68 Cb 0.04 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 1hbr h ASN 68 CO -0.10 0.31 0.04 0.00 -0.37 0.00 0.00 177.43 177.31 1hbr h ALA 69 N 1.69 0.48 -0.34 1.57 0.00 0.92 -1.89 119.26 121.69 1hbr h ALA 69 Ca -0.00 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1hbr h ALA 69 Cb 0.64 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1hbr h ALA 69 CO 0.04 0.20 0.15 0.28 0.00 0.00 0.00 179.25 179.93 1hbr h VAL 70 N 0.44 0.96 -0.94 0.00 2.07 -0.21 0.60 116.25 119.17 1hbr h VAL 70 Ca 0.11 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1hbr h VAL 70 Cb 0.39 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1hbr h VAL 70 CO 0.01 0.06 0.61 0.11 0.02 0.00 0.00 177.57 178.38 1hbr h LYS 71 N 0.32 1.03 -1.31 1.57 6.56 -1.15 -2.34 116.57 121.27 1hbr h LYS 71 Ca 0.15 -0.06 -0.62 0.00 -1.06 0.00 0.00 60.65 59.06 1hbr h LYS 71 Cb 0.08 -0.23 -0.38 0.00 -0.57 0.00 0.00 32.23 31.12 1hbr h LYS 71 CO -0.12 0.68 -0.28 0.09 -2.06 0.00 0.00 179.45 177.77 1hbr n ASN 72 N -4.50 5.58 0.00 0.86 3.02 -0.73 -4.76 115.26 114.74 1hbr n ASN 72 Ca 0.14 -3.76 0.04 0.00 -0.03 0.00 0.00 54.58 50.98 1hbr n ASN 72 Cb 0.20 -0.58 0.18 0.00 -0.61 0.00 0.00 39.78 38.97 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 -0.61 1.21 -2.13 2.41 3.14 0.14 -2.39 118.33 120.10 1hbr n VAL 73 Ca 0.46 0.30 -0.29 0.00 -2.96 0.00 0.00 64.34 61.85 1hbr n VAL 73 Cb 0.68 -1.17 0.02 0.00 -1.06 0.00 0.00 33.84 32.31 1hbr n VAL 73 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1hbr n ASP 74 N -1.41 5.57 0.00 6.55 5.75 -1.26 -4.56 116.55 127.19 1hbr n ASP 74 Ca 0.03 -3.76 0.00 0.00 -0.01 0.00 0.00 54.79 51.05 1hbr n ASP 74 Cb 0.08 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.59 1hbr n ASP 74 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1hbr n ASN 75 N -0.61 0.00 -0.35 -1.12 6.94 -1.00 -5.08 115.26 114.04 1hbr n ASN 75 Ca 0.46 0.00 0.04 0.00 -0.02 0.00 0.00 54.58 55.06 1hbr n ASN 75 Cb 0.68 0.00 0.21 0.00 -2.36 0.00 0.00 39.78 38.31 1hbr n ASN 75 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1hbr h LEU 76 N 0.00 0.98 -1.26 -4.53 3.38 -1.78 -2.66 115.31 109.44 1hbr h LEU 76 Ca 0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1hbr h LEU 76 Cb 0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1hbr h LEU 76 CO 0.00 0.60 0.49 0.77 0.09 0.00 0.00 178.44 180.39 1hbr h SER 77 N 1.09 0.86 1.34 -0.43 4.64 -1.94 0.13 113.55 119.25 1hbr h SER 77 Ca 0.44 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1hbr h SER 77 Cb 0.27 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1hbr h SER 77 CO -0.19 0.63 -0.08 0.00 -0.87 0.00 0.00 176.83 176.31 1hbr n GLN 78 N -4.42 0.23 -0.08 4.77 3.00 -1.01 -2.81 117.38 117.07 1hbr n GLN 78 Ca 0.08 0.17 -0.19 0.00 -0.01 0.00 0.00 57.00 57.06 1hbr n GLN 78 Cb 0.03 -1.75 -0.13 0.00 0.00 0.00 0.00 30.24 28.39 1hbr n GLN 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1hbr n ALA 79 N -1.76 1.26 1.25 -1.58 0.00 -0.75 -4.23 120.51 114.71 1hbr n ALA 79 Ca 0.05 -0.94 0.08 0.00 0.00 0.00 0.00 53.44 52.64 1hbr n ALA 79 Cb 0.42 -0.32 0.28 0.00 0.00 0.00 0.00 19.45 19.83 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 -3.31 1.62 -0.28 0.00 2.00 0.38 -4.48 117.12 113.04 1hbr n MET 80 Ca -0.40 -0.94 -0.12 0.00 0.00 0.00 0.00 57.70 56.25 1hbr n MET 80 Cb 1.02 -1.30 -0.09 0.00 0.00 0.00 0.00 33.22 32.84 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 3.76 -0.62 -0.99 3.04 0.00 -1.69 0.26 119.26 123.02 1hbr h ALA 81 Ca 0.00 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1hbr h ALA 81 Cb 0.38 1.25 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 1hbr h ALA 81 CO 0.00 -0.96 0.64 1.05 0.00 0.00 0.00 179.25 179.98 1hbr h GLU 82 N -0.16 1.08 -0.27 0.00 9.09 -1.90 -2.39 114.58 120.02 1hbr h GLU 82 Ca 0.12 -0.07 -0.14 0.00 0.05 0.00 0.00 59.36 59.32 1hbr h GLU 82 Cb 0.46 -0.24 -0.01 0.00 -1.65 0.00 0.00 28.75 27.31 1hbr h GLU 82 CO -0.75 0.72 -0.40 -0.07 0.05 0.00 0.00 179.01 178.56 1hbr h LEU 83 N 1.11 0.68 -0.64 3.06 3.38 -1.43 -2.03 115.31 119.45 1hbr h LEU 83 Ca 0.44 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1hbr h LEU 83 Cb 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1hbr h LEU 83 CO -0.19 1.00 -0.35 0.77 0.09 0.00 0.00 178.44 179.77 1hbr h SER 84 N 0.53 0.71 -0.58 -0.43 4.64 -0.66 -1.00 113.55 116.75 1hbr h SER 84 Ca 0.04 -0.30 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 1hbr h SER 84 Cb 0.92 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 1hbr h SER 84 CO 0.08 1.00 0.31 -1.13 -0.87 0.00 0.00 176.83 176.22 1hbr h ASN 85 N 0.57 0.74 0.22 4.97 -0.00 -1.32 0.29 115.58 121.05 1hbr h ASN 85 Ca 0.06 -0.11 -0.01 0.00 -0.00 0.00 0.00 56.30 56.24 1hbr h ASN 85 Cb 0.86 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 39.00 1hbr h ASN 85 CO 0.07 0.64 -0.11 0.25 -0.00 0.00 0.00 177.43 178.29 1hbr h LEU 86 N 0.79 -0.25 -0.50 0.34 6.46 -1.17 -1.49 115.31 119.49 1hbr h LEU 86 Ca 0.20 -0.22 -0.10 0.00 -0.12 0.00 0.00 57.88 57.65 1hbr h LEU 86 Cb 0.07 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 1hbr h LEU 86 CO -0.03 0.10 -0.07 0.45 -0.62 0.00 0.00 178.44 178.27 1hbr h HIS 87 N -0.63 1.04 0.06 1.25 3.86 -1.08 0.19 115.15 119.84 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 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1hbr h HIS 87 CO 0.03 0.98 -0.03 0.00 0.86 0.00 0.00 177.93 179.77 1hbr h ALA 88 N 0.91 -0.20 0.50 2.45 0.00 -0.52 -0.33 119.26 122.08 1hbr h ALA 88 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1hbr h ALA 88 Cb 0.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1hbr h ALA 88 CO 0.04 -0.20 -0.24 1.88 0.00 0.00 0.00 179.25 180.73 1hbr h TYR 89 N -0.37 -0.63 -0.08 0.00 0.05 -1.41 -2.38 116.97 112.15 1hbr h TYR 89 Ca -0.01 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1hbr h TYR 89 Cb 0.06 0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.01 1hbr h TYR 89 CO 0.03 -0.39 -0.01 -0.91 -1.05 0.00 0.00 178.16 175.82 1hbr h ASN 90 N -1.06 0.15 0.55 3.88 2.35 -1.22 -3.36 115.58 116.88 1hbr h ASN 90 Ca -0.07 -0.36 -0.26 0.00 -0.55 0.00 0.00 56.30 55.07 1hbr h ASN 90 Cb 0.52 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.80 1hbr h ASN 90 CO 0.11 0.47 -1.63 0.18 -1.65 0.00 0.00 177.43 174.92 1hbr n LEU 91 N -4.81 0.86 -3.48 1.61 4.77 0.61 -5.00 117.00 111.56 1hbr n LEU 91 Ca -0.07 0.40 -0.19 0.00 -0.03 0.00 0.00 56.01 56.13 1hbr n LEU 91 Cb 0.22 0.15 0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1hbr n LEU 91 CO 0.35 0.32 0.12 0.54 -1.33 0.00 0.00 177.39 177.39 1hbr n ARG 92 N -2.99 -6.73 -2.31 3.23 5.12 -0.26 -4.91 116.66 107.79 1hbr n ARG 92 Ca -0.15 0.83 -0.42 0.00 -1.93 0.00 0.00 57.85 56.18 1hbr n ARG 92 Cb 0.99 -5.82 -0.03 0.00 -1.16 0.00 0.00 32.46 26.44 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 -3.37 3.95 0.11 1.55 1.01 -0.44 -4.96 120.40 118.25 1hbr s VAL 93 Ca 0.11 1.29 -0.31 0.00 0.00 0.00 0.00 61.98 63.07 1hbr s VAL 93 Cb -0.05 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 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 1.82 6.53 0.58 3.32 -1.08 -1.26 -4.85 116.67 121.72 1hbr s ASP 94 Ca 0.61 2.61 0.30 0.00 -0.52 0.00 0.00 52.55 55.55 1hbr s ASP 94 Cb -0.28 -2.57 1.43 0.00 -1.46 0.00 0.00 42.92 40.04 1hbr s ASP 94 CO 0.24 -0.92 1.81 -0.65 0.52 0.00 0.00 175.17 176.17 1hbr h PRO 95 N 8.17 0.00 -0.68 4.34 0.11 -1.99 -0.53 132.00 141.42 1hbr h PRO 95 Ca -0.44 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.76 1hbr h PRO 95 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1hbr h PRO 95 CO 0.94 0.00 0.45 0.28 -0.21 0.00 0.00 178.00 179.45 1hbr h VAL 96 N 0.00 0.94 0.00 3.15 2.07 -2.02 -2.18 116.25 118.21 1hbr h VAL 96 Ca 0.34 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 1hbr h VAL 96 Cb 1.64 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1hbr h VAL 96 CO -0.00 0.11 -0.26 0.78 0.02 0.00 0.00 177.57 178.21 1hbr h ASN 97 N 0.58 0.00 -0.26 0.57 -0.26 -1.46 -2.59 115.58 112.15 1hbr h ASN 97 Ca 0.31 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.01 1hbr h ASN 97 Cb 0.44 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.68 1hbr h ASN 97 CO -0.10 0.26 0.07 -0.26 -1.06 0.00 0.00 177.43 176.34 1hbr h PHE 98 N 0.00 0.51 -0.61 1.19 0.04 -1.56 -1.36 116.94 115.15 1hbr h PHE 98 Ca -0.00 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 1hbr h PHE 98 Cb 0.48 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1hbr h PHE 98 CO 0.00 0.45 0.02 0.87 -0.60 0.00 0.00 178.31 179.06 1hbr h LYS 99 N 0.50 1.05 -0.31 1.51 1.79 -1.57 -1.69 116.57 117.85 1hbr h LYS 99 Ca 0.12 -0.32 -0.01 0.00 -2.18 0.00 0.00 60.65 58.26 1hbr h LYS 99 Cb 0.21 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 1hbr h LYS 99 CO -0.00 1.01 0.16 -0.07 -1.08 0.00 0.00 179.45 179.47 1hbr h LEU 100 N 0.97 0.41 -0.56 2.94 3.38 -1.26 -1.58 115.31 119.61 1hbr h LEU 100 Ca 0.18 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1hbr h LEU 100 Cb 0.53 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1hbr h LEU 100 CO 0.03 0.40 0.05 0.25 0.09 0.00 0.00 178.44 179.26 1hbr h LEU 101 N 0.38 0.93 -0.92 1.67 5.85 -1.19 -2.56 115.31 119.48 1hbr h LEU 101 Ca 0.11 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.60 1hbr h LEU 101 Cb 0.10 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 1hbr h LEU 101 CO -0.02 0.98 0.58 0.28 -0.34 0.00 0.00 178.44 179.93 1hbr h SER 102 N 0.85 0.93 -0.47 1.25 0.02 -1.06 -0.03 113.55 115.05 1hbr h SER 102 Ca 0.17 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 1hbr h SER 102 Cb 0.48 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1hbr h SER 102 CO 0.02 0.60 -0.13 -0.61 -1.14 0.00 0.00 176.83 175.57 1hbr h GLN 103 N 1.07 0.92 -0.54 3.45 4.15 -1.12 -2.39 115.11 120.66 1hbr h GLN 103 Ca 0.39 -0.36 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 1hbr h GLN 103 Cb 0.14 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 1hbr h GLN 103 CO -0.16 1.01 0.06 0.00 -1.93 0.00 0.00 178.83 177.80 1hbr h ILE 105 N 0.82 1.26 -0.25 0.00 2.04 -0.97 -1.72 117.51 118.68 1hbr h ILE 105 Ca 0.17 -0.88 -0.11 0.00 1.00 0.00 0.00 64.86 65.04 1hbr h ILE 105 Cb 0.41 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1hbr h ILE 105 CO 0.01 0.34 -0.32 1.56 0.00 0.00 0.00 178.15 179.75 1hbr h GLN 106 N 1.05 0.52 -0.45 2.37 4.20 -0.82 -2.23 115.11 119.75 1hbr h GLN 106 Ca 0.23 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1hbr h GLN 106 Cb 0.29 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1hbr h GLN 106 CO -0.01 0.78 -0.05 0.28 -0.67 0.00 0.00 178.83 179.16 1hbr h VAL 107 N 0.45 1.25 -0.54 -0.54 2.07 -0.61 -0.65 116.25 117.67 1hbr h VAL 107 Ca 0.05 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 1hbr h VAL 107 Cb 0.78 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1hbr h VAL 107 CO 0.06 0.37 0.14 0.58 0.02 0.00 0.00 177.57 178.75 1hbr h VAL 108 N 0.72 1.24 -0.57 2.57 2.07 -1.00 -1.22 116.25 120.07 1hbr h VAL 108 Ca 0.13 -0.85 -0.09 0.00 0.82 0.00 0.00 66.70 66.72 1hbr h VAL 108 Cb 0.52 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1hbr h VAL 108 CO 0.03 0.31 0.02 -0.07 0.02 0.00 0.00 177.57 177.88 1hbr h LEU 109 N 0.76 0.97 -0.76 2.57 4.07 -1.06 -2.51 115.31 119.34 1hbr h LEU 109 Ca 0.17 -0.30 -0.09 0.00 0.08 0.00 0.00 57.88 57.74 1hbr h LEU 109 Cb 0.32 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1hbr h LEU 109 CO -0.00 1.03 -0.02 0.00 -1.08 0.00 0.00 178.44 178.37 1hbr h ALA 110 N 0.97 0.96 -0.64 1.53 0.00 -0.93 0.23 119.26 121.38 1hbr h ALA 110 Ca 0.16 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1hbr h ALA 110 Cb 0.52 -0.21 -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 0.85 1.24 0.00 0.00 2.07 -1.06 0.17 116.25 119.52 1hbr h VAL 111 Ca 0.16 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1hbr h VAL 111 Cb 0.52 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1hbr h VAL 111 CO 0.03 0.32 -1.20 1.41 0.02 0.00 0.00 177.57 178.14 1hbr n HIS 112 N -4.28 0.18 0.45 1.57 8.25 -0.96 -4.25 115.22 116.19 1hbr n HIS 112 Ca 0.05 0.05 0.06 0.00 -0.26 0.00 0.00 57.72 57.63 1hbr n HIS 112 Cb 0.21 -0.38 -0.08 0.00 1.12 0.00 0.00 29.99 30.86 1hbr n HIS 112 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1hbr n MET 113 N -1.95 2.06 0.00 -0.41 2.81 0.80 -5.05 117.12 115.37 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 0.44 -1.17 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 0.48 3.03 0.00 0.05 -0.21 105.19 112.52 1hbr n GLY 114 Ca 0.01 -0.03 0.28 0.00 0.00 0.00 0.00 46.02 46.28 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 0.11 116.57 116.32 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 -3.83 0.61 -4.43 7.07 8.00 0.71 -3.89 116.55 120.80 1hbr n ASP 116 Ca 0.18 0.65 -0.44 0.00 0.71 0.00 0.00 54.79 55.89 1hbr n ASP 116 Cb 1.06 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 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 -2.18 4.74 -1.93 1.24 9.36 0.36 -4.91 117.16 123.85 1hbr n TYR 117 Ca 0.02 -3.20 -0.31 0.00 3.32 0.00 0.00 57.90 57.74 1hbr n TYR 117 Cb 0.23 -2.28 0.02 0.00 -0.63 0.00 0.00 39.34 36.68 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 2.09 4.45 0.30 2.97 -4.23 -1.25 -4.78 115.64 115.20 1hbr s THR 118 Ca 0.45 0.74 0.06 0.00 -1.18 0.00 0.00 61.69 61.76 1hbr s THR 118 Cb -0.00 -3.78 0.29 0.00 1.34 0.00 0.00 72.50 70.35 1hbr s THR 118 CO 0.02 -1.01 1.72 -0.65 -0.54 0.00 0.00 174.62 174.16 1hbr h PRO 119 N -0.35 0.51 -0.29 3.99 0.11 -1.93 0.28 132.00 134.31 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 1.21 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1hbr h PRO 119 CO 0.62 0.34 0.09 0.93 -0.21 0.00 0.00 178.00 179.77 1hbr h GLU 120 N 0.52 0.46 -0.41 1.05 3.07 -1.98 0.64 114.58 117.92 1hbr h GLU 120 Ca 0.59 -0.10 -0.09 0.00 -0.50 0.00 0.00 59.36 59.26 1hbr h GLU 120 Cb 1.09 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 1hbr h GLU 120 CO -0.48 0.51 -0.09 0.28 -1.40 0.00 0.00 179.01 177.83 1hbr h VAL 121 N 0.32 1.27 -0.32 3.13 2.07 -1.48 -1.85 116.25 119.39 1hbr h VAL 121 Ca 0.10 -1.17 0.06 0.00 0.82 0.00 0.00 66.70 66.50 1hbr h VAL 121 Cb 0.24 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1hbr h VAL 121 CO -0.00 0.40 -0.02 -0.74 0.02 0.00 0.00 177.57 177.22 1hbr h HIS 122 N 0.61 -0.06 -0.48 1.57 6.17 -0.36 0.14 115.15 122.73 1hbr h HIS 122 Ca 0.11 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.19 1hbr h HIS 122 Cb 0.61 0.07 -0.02 0.00 2.52 0.00 0.00 27.41 30.59 1hbr h HIS 122 CO 0.05 -0.08 0.22 0.00 0.71 0.00 0.00 177.93 178.83 1hbr h ALA 123 N 1.29 0.63 -0.50 5.26 0.00 -0.72 0.51 119.26 125.71 1hbr h ALA 123 Ca 0.15 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 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 -0.28 0.21 -0.14 0.00 0.00 0.00 0.00 179.25 179.05 1hbr h ALA 124 N 1.06 0.69 -0.30 0.00 0.00 -0.90 -2.56 119.26 117.25 1hbr h ALA 124 Ca 0.16 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1hbr h ALA 124 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1hbr h ALA 124 CO -0.02 0.62 -0.37 0.35 0.00 0.00 0.00 179.25 179.83 1hbr h PHE 125 N 0.83 0.83 -0.48 0.00 3.57 -0.58 -2.18 116.94 118.93 1hbr h PHE 125 Ca 0.12 -0.24 -0.03 0.00 3.53 0.00 0.00 57.97 61.36 1hbr h PHE 125 Cb 0.70 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1hbr h PHE 125 CO 0.05 0.97 0.16 0.22 -2.23 0.00 0.00 178.31 177.48 1hbr h ASP 126 N 0.58 0.64 -0.17 0.41 3.58 -0.79 -0.18 116.42 120.49 1hbr h ASP 126 Ca 0.05 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.36 1hbr h ASP 126 Cb 0.90 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.78 1hbr h ASP 126 CO 0.08 0.61 -0.12 0.11 -2.88 0.00 0.00 179.24 177.04 1hbr h LYS 127 N 0.69 0.38 -0.16 0.28 1.57 -1.26 -1.99 116.57 116.09 1hbr h LYS 127 Ca 0.16 -0.18 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1hbr h LYS 127 Cb 0.19 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1hbr h LYS 127 CO -0.01 0.72 -0.03 0.35 -0.57 0.00 0.00 179.45 179.91 1hbr h PHE 128 N 0.04 -0.06 -0.55 -1.35 3.57 -0.94 0.49 116.94 118.14 1hbr h PHE 128 Ca 0.03 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1hbr h PHE 128 Cb 0.63 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 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 0.02 0.76 -1.13 0.59 3.38 -1.06 -0.62 115.31 117.24 1hbr h LEU 129 Ca 0.08 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1hbr h LEU 129 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1hbr h LEU 129 CO -0.16 0.73 -0.02 0.77 0.09 0.00 0.00 178.44 179.85 1hbr h SER 130 N 0.75 0.55 -0.18 -0.43 4.64 -1.12 0.52 113.55 118.28 1hbr h SER 130 Ca 0.18 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1hbr h SER 130 Cb 0.20 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1hbr h SER 130 CO -0.01 0.63 0.02 0.00 -0.87 0.00 0.00 176.83 176.60 1hbr h ALA 131 N 1.43 0.25 -0.84 5.18 0.00 -0.48 -1.17 119.26 123.62 1hbr h ALA 131 Ca 0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1hbr h ALA 131 Cb 0.38 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1hbr h ALA 131 CO 0.02 -0.07 0.45 0.28 0.00 0.00 0.00 179.25 179.93 1hbr h VAL 132 N 0.09 1.25 -0.42 0.00 2.07 -0.75 -2.26 116.25 116.23 1hbr h VAL 132 Ca 0.06 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1hbr h VAL 132 Cb 0.33 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1hbr h VAL 132 CO 0.01 0.28 0.01 0.28 0.02 0.00 0.00 177.57 178.17 1hbr h SER 133 N 1.18 0.63 -0.50 0.57 0.02 -0.68 -2.64 113.55 112.12 1hbr h SER 133 Ca 0.30 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 61.04 1hbr h SER 133 Cb 0.04 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1hbr h SER 133 CO -0.05 0.70 0.05 0.00 -1.14 0.00 0.00 176.83 176.39 1hbr h ALA 134 N 1.38 0.67 0.00 3.77 0.00 -0.66 -2.70 119.26 121.72 1hbr h ALA 134 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1hbr h ALA 134 Cb 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1hbr h ALA 134 CO 0.01 0.44 0.00 0.28 0.00 0.00 0.00 179.25 179.98 1hbr h VAL 135 N 0.73 0.00 0.00 0.00 2.07 -1.22 -2.82 116.25 115.01 1hbr h VAL 135 Ca 0.15 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1hbr h VAL 135 Cb 0.45 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1hbr h VAL 135 CO 0.02 0.00 -0.68 -0.07 0.02 0.00 0.00 177.57 176.86 1hbr h LEU 136 N 0.00 0.00 -3.69 2.57 3.38 -1.15 -3.29 115.31 113.13 1hbr h LEU 136 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1hbr h LEU 136 Cb 0.51 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.91 1hbr h LEU 136 CO 0.00 0.11 -0.47 0.00 0.09 0.00 0.00 178.44 178.18 1hbr n ALA 137 N -2.18 5.04 -0.78 1.53 0.00 -1.08 -4.17 120.51 118.87 1hbr n ALA 137 Ca 0.00 -3.64 0.08 0.00 0.00 0.00 0.00 53.44 49.88 1hbr n ALA 137 Cb 0.59 -0.58 0.30 0.00 0.00 0.00 0.00 19.45 19.76 1hbr n ALA 137 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1hbr n GLU 138 N -0.82 3.51 0.00 0.00 0.28 -1.15 -4.95 120.64 117.51 1hbr n GLU 138 Ca 0.44 -2.81 0.00 0.00 -0.16 0.00 0.00 57.16 54.63 1hbr n GLU 138 Cb 0.91 -1.86 0.00 0.00 1.43 0.00 0.00 31.44 31.91 1hbr n GLU 138 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1hbr n LYS 139 N 0.21 2.21 0.00 3.44 4.01 -1.26 -5.02 118.16 121.75 1hbr n LYS 139 Ca 0.22 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.02 1hbr n LYS 139 Cb 0.89 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.41 1hbr n LYS 139 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1hbr n TYR 140 N 0.00 0.00 0.00 2.13 4.01 -1.26 -5.01 117.16 117.03 1hbr n TYR 140 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1hbr n TYR 140 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1hbr n TYR 140 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27