#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b7h s LEU 2 N 0.00 4.16 0.69 7.52 1.43 -1.26 -5.00 118.68 126.22 2b7h s LEU 2 Ca 0.00 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 54.68 2b7h s LEU 2 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2b7h s LEU 2 CO 0.00 -0.82 1.07 -0.94 0.23 0.00 0.00 176.35 175.88 2b7h s SER 3 N 2.24 5.51 0.27 2.29 1.04 -1.26 -4.82 113.70 118.96 2b7h s SER 3 Ca 0.57 1.39 -0.02 0.00 0.48 0.00 0.00 55.95 58.38 2b7h s SER 3 Cb -0.22 -2.28 0.59 0.00 0.10 0.00 0.00 66.02 64.20 2b7h s SER 3 CO 0.17 -1.33 1.65 -0.65 0.98 0.00 0.00 173.24 174.06 2b7h h PRO 4 N -0.64 0.20 -0.08 4.02 0.11 -1.99 -0.17 132.00 133.44 2b7h h PRO 4 Ca -0.45 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.67 2b7h h PRO 4 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2b7h h PRO 4 CO 0.60 0.13 -0.04 0.00 -0.21 0.00 0.00 178.00 178.48 2b7h h ALA 5 N 1.72 0.03 -0.43 -0.75 0.00 -1.99 0.16 119.26 117.99 2b7h h ALA 5 Ca 0.49 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.52 2b7h h ALA 5 Cb 0.92 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 2b7h h ALA 5 CO -0.62 -0.51 -0.08 -0.44 0.00 0.00 0.00 179.25 177.60 2b7h h ASP 6 N -0.04 -0.35 -0.56 0.00 3.32 -1.77 0.16 116.42 117.20 2b7h h ASP 6 Ca 0.05 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 2b7h h ASP 6 Cb 0.10 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2b7h h ASP 6 CO -0.10 -0.12 0.24 0.11 -1.72 0.00 0.00 179.24 177.65 2b7h h LYS 7 N 0.03 0.82 -0.46 3.56 1.57 -0.54 0.12 116.57 121.66 2b7h h LYS 7 Ca 0.21 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 2b7h h LYS 7 Cb 0.32 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 2b7h h LYS 7 CO -0.42 0.69 0.19 1.15 -0.57 0.00 0.00 179.45 180.49 2b7h h THR 8 N 0.75 0.90 -0.11 -0.16 2.02 -0.67 0.41 112.91 116.06 2b7h h THR 8 Ca 0.19 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.26 2b7h h THR 8 Cb 0.16 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2b7h h THR 8 CO -0.02 0.07 -0.03 0.78 0.37 0.00 0.00 175.52 176.69 2b7h h ASN 9 N 0.38 -0.12 0.30 4.18 -0.26 -0.37 0.17 115.58 119.86 2b7h h ASN 9 Ca 0.21 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.97 2b7h h ASN 9 Cb 0.17 0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.50 2b7h h ASN 9 CO -0.19 -0.05 -0.18 0.40 -1.06 0.00 0.00 177.43 176.36 2b7h h ILE 10 N -0.01 0.63 -0.33 2.81 2.04 -0.70 -0.94 117.51 121.00 2b7h h ILE 10 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 2b7h h ILE 10 Cb 0.09 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2b7h h ILE 10 CO -0.12 0.00 0.13 0.11 0.00 0.00 0.00 178.15 178.27 2b7h h LYS 11 N -0.45 0.50 -0.48 2.37 1.57 -0.81 -0.14 116.57 119.13 2b7h h LYS 11 Ca -0.03 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 2b7h h LYS 11 Cb 0.37 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2b7h h LYS 11 CO 0.04 0.51 -0.02 0.66 -0.57 0.00 0.00 179.45 180.07 2b7h h SER 12 N 0.39 0.79 -0.42 0.86 4.64 -0.68 0.20 113.55 119.33 2b7h h SER 12 Ca 0.11 -0.20 0.03 0.00 -0.47 0.00 0.00 61.79 61.26 2b7h h SER 12 Cb 0.20 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 2b7h h SER 12 CO -0.01 0.87 0.21 0.74 -0.87 0.00 0.00 176.83 177.77 2b7h h THR 13 N 0.75 0.98 -0.22 2.95 2.02 -0.98 0.10 112.91 118.52 2b7h h THR 13 Ca 0.14 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 2b7h h THR 13 Cb 0.49 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2b7h h THR 13 CO 0.02 0.08 -0.22 -0.25 0.37 0.00 0.00 175.52 175.53 2b7h h TRP 14 N 0.43 0.43 -0.38 3.16 2.91 -0.52 0.85 115.95 122.82 2b7h h TRP 14 Ca 0.18 -0.08 -0.01 0.00 1.13 0.00 0.00 58.89 60.12 2b7h h TRP 14 Cb 0.08 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.60 2b7h h TRP 14 CO -0.10 0.59 0.21 -0.44 -1.03 0.00 0.00 178.44 177.67 2b7h h ASP 15 N 0.35 0.48 -0.39 2.65 3.32 -0.15 -2.20 116.42 120.48 2b7h h ASP 15 Ca 0.06 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 2b7h h ASP 15 Cb 0.58 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2b7h h ASP 15 CO 0.04 0.42 0.07 0.50 -1.72 0.00 0.00 179.24 178.56 2b7h h LYS 16 N 0.49 0.65 0.00 3.56 1.63 -0.16 -2.88 116.57 119.86 2b7h h LYS 16 Ca 0.14 -0.17 -0.07 0.00 -0.85 0.00 0.00 60.65 59.70 2b7h h LYS 16 Cb 0.05 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 2b7h h LYS 16 CO -0.02 0.69 -0.34 -0.84 -3.45 0.00 0.00 179.45 175.49 2b7h h ILE 17 N 0.50 1.12 0.00 2.00 -0.00 -0.76 -3.46 117.51 116.91 2b7h h ILE 17 Ca 0.12 -1.20 0.00 0.00 -0.00 0.00 0.00 64.86 63.78 2b7h h ILE 17 Cb 0.35 1.67 0.00 0.00 -0.00 0.00 0.00 36.82 38.84 2b7h h ILE 17 CO 0.01 0.33 0.00 0.61 -0.00 0.00 0.00 178.15 179.10 2b7h n GLY 18 N -0.41 3.17 0.00 0.16 0.00 -0.84 -1.00 105.19 106.28 2b7h n GLY 18 Ca -0.02 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 45.99 2b7h n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b7h n GLY 19 N 0.00 -0.51 0.08 -0.02 0.00 -1.26 -2.73 105.19 100.75 2b7h n GLY 19 Ca 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.07 2b7h n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2b7h n HIS 20 N -0.91 0.72 -0.21 1.61 8.25 -0.17 -4.51 115.22 120.01 2b7h n HIS 20 Ca 0.10 0.21 0.01 0.00 -0.26 0.00 0.00 57.72 57.78 2b7h n HIS 20 Cb 0.05 -0.82 0.10 0.00 1.12 0.00 0.00 29.99 30.43 2b7h n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2b7h h ALA 21 N 2.61 0.59 -0.05 -1.41 0.00 -1.65 0.57 119.26 119.92 2b7h h ALA 21 Ca 0.00 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2b7h h ALA 21 Cb 0.70 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2b7h h ALA 21 CO 0.00 -0.40 -0.14 0.78 0.00 0.00 0.00 179.25 179.48 2b7h h GLY 22 N 0.10 -0.14 1.01 0.00 0.00 -1.84 0.26 103.07 102.45 2b7h h GLY 22 Ca 0.32 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2b7h h GLY 22 CO -0.55 -0.14 0.45 -0.55 0.00 0.00 0.00 176.54 175.75 2b7h h ASP 23 N -0.22 0.83 -0.25 0.19 3.32 -1.26 -2.12 116.42 116.92 2b7h h ASP 23 Ca 0.07 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2b7h h ASP 23 Cb 0.31 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2b7h h ASP 23 CO -0.18 0.63 0.06 1.88 -1.72 0.00 0.00 179.24 179.91 2b7h h TYR 24 N 0.97 0.50 -0.79 4.55 0.05 -0.55 0.54 116.97 122.24 2b7h h TYR 24 Ca 0.26 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.01 2b7h h TYR 24 Cb -0.08 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.47 2b7h h TYR 24 CO -0.02 0.46 0.51 0.78 -1.05 0.00 0.00 178.16 178.84 2b7h h GLY 25 N 0.74 1.13 0.77 3.88 0.00 -0.30 0.28 103.07 109.58 2b7h h GLY 25 Ca 0.11 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 2b7h h GLY 25 CO -0.00 0.43 -0.13 -1.33 0.00 0.00 0.00 176.54 175.51 2b7h h GLY 26 N 1.08 0.42 0.70 4.60 0.00 -0.99 -1.76 103.07 107.11 2b7h h GLY 26 Ca 0.29 -0.41 0.05 0.00 0.00 0.00 0.00 47.33 47.26 2b7h h GLY 26 CO -0.06 0.37 0.29 -2.09 0.00 0.00 0.00 176.54 175.05 2b7h h GLU 27 N 0.05 0.54 -0.88 4.80 4.81 -0.79 0.46 114.58 123.56 2b7h h GLU 27 Ca 0.03 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2b7h h GLU 27 Cb 0.64 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 2b7h h GLU 27 CO 0.03 0.36 0.56 0.00 -0.73 0.00 0.00 179.01 179.23 2b7h h ALA 28 N 1.30 1.16 -0.23 2.92 0.00 -0.33 0.35 119.26 124.42 2b7h h ALA 28 Ca 0.25 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2b7h h ALA 28 Cb 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2b7h h ALA 28 CO -0.17 0.41 0.00 -0.07 0.00 0.00 0.00 179.25 179.42 2b7h h LEU 29 N 1.09 0.40 -0.50 0.00 3.38 -1.03 -0.55 115.31 118.10 2b7h h LEU 29 Ca 0.35 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 58.10 2b7h h LEU 29 Cb 0.01 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 2b7h h LEU 29 CO -0.12 0.61 0.09 -0.78 0.09 0.00 0.00 178.44 178.33 2b7h h ASP 30 N 0.18 -0.01 -0.58 -0.43 3.58 -0.12 0.28 116.42 119.33 2b7h h ASP 30 Ca 0.07 0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.55 2b7h h ASP 30 Cb 0.40 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.55 2b7h h ASP 30 CO 0.01 0.02 0.17 0.03 -2.88 0.00 0.00 179.24 176.60 2b7h h ARG 31 N 0.23 0.94 0.00 0.28 3.08 -0.17 -0.24 114.38 118.51 2b7h h ARG 31 Ca 0.25 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2b7h h ARG 31 Cb 0.34 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2b7h h ARG 31 CO -0.33 0.83 -0.00 1.15 -1.07 0.00 0.00 179.97 180.54 2b7h h THR 32 N 0.91 1.30 -0.82 2.04 2.02 0.19 0.12 112.91 118.67 2b7h h THR 32 Ca 0.20 -0.92 0.08 0.00 0.77 0.00 0.00 66.41 66.54 2b7h h THR 32 Cb 0.29 1.93 -0.07 0.00 -1.74 0.00 0.00 68.15 68.56 2b7h h THR 32 CO -0.00 0.24 0.49 -0.26 0.37 0.00 0.00 175.52 176.35 2b7h h PHE 33 N -0.40 0.89 0.07 3.16 0.04 -0.39 0.44 116.94 120.75 2b7h h PHE 33 Ca -0.00 0.03 -0.23 0.00 2.80 0.00 0.00 57.97 60.57 2b7h h PHE 33 Cb 0.39 -0.28 0.02 0.00 2.20 0.00 0.00 35.95 38.29 2b7h h PHE 33 CO 0.06 0.40 -0.94 1.96 -0.60 0.00 0.00 178.31 179.19 2b7h h GLN 34 N 0.85 0.52 -0.01 1.51 4.20 -0.92 -3.01 115.11 118.25 2b7h h GLN 34 Ca 0.38 -0.65 -0.20 0.00 0.06 0.00 0.00 58.65 58.24 2b7h h GLN 34 Cb 0.27 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2b7h h GLN 34 CO -0.21 1.26 -0.87 0.77 -0.67 0.00 0.00 178.83 179.11 2b7h h SER 35 N 0.07 0.34 -2.09 1.46 0.02 -0.58 -3.38 113.55 109.39 2b7h h SER 35 Ca -0.14 -0.27 -0.57 0.00 -0.84 0.00 0.00 61.79 59.97 2b7h h SER 35 Cb 1.65 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 63.69 2b7h h SER 35 CO 0.18 1.06 -0.99 0.49 -1.14 0.00 0.00 176.83 176.43 2b7h n PHE 36 N -3.70 0.41 0.32 3.45 3.72 0.15 -4.99 117.46 116.81 2b7h n PHE 36 Ca -0.04 -3.67 0.20 0.00 -0.05 0.00 0.00 57.45 53.89 2b7h n PHE 36 Cb 0.80 -0.34 1.08 0.00 -0.94 0.00 0.00 39.48 40.07 2b7h n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2b7h h PRO 37 N 4.19 0.00 0.00 -1.08 0.11 -1.68 -0.06 132.00 133.49 2b7h h PRO 37 Ca 0.11 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 2b7h h PRO 37 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 2b7h h PRO 37 CO 0.53 0.00 -0.12 1.15 -0.21 0.00 0.00 178.00 179.35 2b7h h THR 38 N 0.00 0.69 0.00 -1.15 2.02 -1.90 -1.25 112.91 111.32 2b7h h THR 38 Ca 0.00 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2b7h h THR 38 Cb 0.12 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2b7h h THR 38 CO 0.00 0.12 -0.05 0.71 0.37 0.00 0.00 175.52 176.67 2b7h h THR 39 N 0.00 0.41 0.00 3.16 1.35 -1.31 -1.88 112.91 114.64 2b7h h THR 39 Ca -0.00 -0.24 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2b7h h THR 39 Cb 0.29 1.16 -0.00 0.00 -1.73 0.00 0.00 68.15 67.88 2b7h h THR 39 CO 0.02 0.05 -0.00 0.11 -0.25 0.00 0.00 175.52 175.44 2b7h h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.41 -2.82 116.57 118.63 2b7h h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2b7h h LYS 40 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2b7h h LYS 40 CO 0.01 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.14 2b7h n THR 41 N -3.53 0.20 0.93 -0.16 -2.24 -0.71 -0.95 114.28 107.82 2b7h n THR 41 Ca -0.03 0.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.93 2b7h n THR 41 Cb 0.08 -0.61 0.43 0.00 -2.10 0.00 0.00 70.33 68.13 2b7h n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2b7h n TYR 42 N -1.39 0.14 -2.83 4.78 4.02 -1.06 -4.11 117.16 116.71 2b7h n TYR 42 Ca 0.09 0.04 -0.25 0.00 -0.01 0.00 0.00 57.90 57.78 2b7h n TYR 42 Cb 0.25 -0.47 -0.02 0.00 -0.02 0.00 0.00 39.34 39.08 2b7h n TYR 42 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2b7h n PHE 43 N -1.63 3.21 0.29 -0.72 3.01 -0.13 -4.82 117.46 116.67 2b7h n PHE 43 Ca 0.06 -3.66 0.18 0.00 1.01 0.00 0.00 57.45 55.04 2b7h n PHE 43 Cb 0.36 -0.36 0.77 0.00 -0.01 0.00 0.00 39.48 40.23 2b7h n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2b7h h PRO 44 N 2.88 0.00 0.00 -1.08 0.13 -1.71 -1.84 132.00 130.37 2b7h h PRO 44 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2b7h h PRO 44 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2b7h h PRO 44 CO 0.77 0.01 -0.11 -2.39 -0.23 0.00 0.00 178.00 176.05 2b7h n HIS 45 N -3.11 0.13 -3.37 1.56 1.44 -1.26 -4.80 115.22 105.81 2b7h n HIS 45 Ca -0.00 0.04 -0.38 0.00 -2.01 0.00 0.00 57.72 55.37 2b7h n HIS 45 Cb 0.27 -0.52 -0.06 0.00 0.12 0.00 0.00 29.99 29.81 2b7h n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2b7h s PHE 46 N -3.02 3.73 -0.05 -1.40 0.40 -0.69 -5.04 117.98 111.90 2b7h s PHE 46 Ca 0.13 1.10 -0.30 0.00 -0.60 0.00 0.00 56.93 57.26 2b7h s PHE 46 Cb 0.18 -2.43 -0.05 0.00 0.51 0.00 0.00 43.02 41.24 2b7h s PHE 46 CO 0.57 0.54 1.46 0.34 0.70 0.00 0.00 175.22 178.84 2b7h s ASP 47 N -0.79 6.80 -0.04 1.36 2.15 -1.26 -4.90 116.67 119.99 2b7h s ASP 47 Ca 0.26 2.07 0.11 0.00 0.43 0.00 0.00 52.55 55.43 2b7h s ASP 47 Cb -0.18 -2.55 0.33 0.00 -0.30 0.00 0.00 42.92 40.23 2b7h s ASP 47 CO 0.15 -0.80 1.27 0.18 -0.17 0.00 0.00 175.17 175.80 2b7h n LEU 48 N 6.27 3.07 -4.71 -1.34 4.77 -1.26 -4.44 117.00 119.36 2b7h n LEU 48 Ca 0.15 -2.25 -0.31 0.00 -0.03 0.00 0.00 56.01 53.57 2b7h n LEU 48 Cb 0.43 -0.29 0.14 0.00 -2.33 0.00 0.00 43.42 41.37 2b7h n LEU 48 CO 0.59 0.70 0.68 -0.94 -1.33 0.00 0.00 177.39 177.09 2b7h s SER 49 N -1.24 3.53 0.24 -1.43 1.04 -1.26 -4.89 113.70 109.69 2b7h s SER 49 Ca 0.26 1.89 -0.30 0.00 0.48 0.00 0.00 55.95 58.29 2b7h s SER 49 Cb 0.16 -2.47 -0.15 0.00 0.10 0.00 0.00 66.02 63.66 2b7h s SER 49 CO 0.13 -2.67 1.03 -2.65 0.98 0.00 0.00 173.24 170.06 2b7h n PRO 50 N -3.93 1.20 -1.40 4.02 -0.02 -1.26 -1.95 135.00 131.66 2b7h n PRO 50 Ca 0.09 0.42 -0.14 0.00 -2.02 0.00 0.00 63.50 61.86 2b7h n PRO 50 Cb 0.53 -1.81 -0.06 0.00 -0.02 0.00 0.00 33.50 32.14 2b7h n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b7h n GLY 51 N 1.56 1.42 3.63 -1.23 0.00 -1.26 -4.93 105.19 104.38 2b7h n GLY 51 Ca 0.12 -0.31 -0.52 0.00 0.00 0.00 0.00 46.02 45.31 2b7h n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2b7h n SER 52 N -0.39 2.14 0.04 1.61 2.88 -0.82 -4.86 113.62 114.22 2b7h n SER 52 Ca -0.14 1.10 -0.02 0.00 -1.33 0.00 0.00 58.87 58.48 2b7h n SER 52 Cb 0.47 -1.24 0.26 0.00 -0.75 0.00 0.00 64.21 62.95 2b7h n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2b7h h ALA 53 N 5.52 1.22 -0.41 -1.46 0.00 -1.91 -1.66 119.26 120.57 2b7h h ALA 53 Ca -0.47 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.05 2b7h h ALA 53 Cb 1.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2b7h h ALA 53 CO 0.84 0.50 -0.08 1.96 0.00 0.00 0.00 179.25 182.48 2b7h h GLN 54 N 0.37 0.77 -0.39 0.00 4.20 -1.89 0.23 115.11 118.41 2b7h h GLN 54 Ca 0.06 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.46 2b7h h GLN 54 Cb 0.57 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 2b7h h GLN 54 CO 0.04 0.89 0.13 0.28 -0.67 0.00 0.00 178.83 179.50 2b7h h VAL 55 N 0.59 1.21 0.29 -0.54 2.07 -1.75 0.22 116.25 118.34 2b7h h VAL 55 Ca 0.11 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2b7h h VAL 55 Cb 0.59 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2b7h h VAL 55 CO 0.04 0.24 -0.20 0.50 0.02 0.00 0.00 177.57 178.17 2b7h h LYS 56 N 0.48 -0.46 -0.83 1.57 3.64 -1.08 0.36 116.57 120.26 2b7h h LYS 56 Ca 0.13 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 2b7h h LYS 56 Cb 0.25 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 2b7h h LYS 56 CO -0.00 -0.31 0.52 0.00 -2.27 0.00 0.00 179.45 177.39 2b7h h ALA 57 N 0.20 1.10 -0.31 5.00 0.00 -0.47 -1.83 119.26 122.96 2b7h h ALA 57 Ca -0.02 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2b7h h ALA 57 Cb 0.41 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2b7h h ALA 57 CO 0.01 0.32 -0.40 1.25 0.00 0.00 0.00 179.25 180.43 2b7h h HIS 58 N 1.00 0.91 -0.66 0.00 -0.00 -0.21 -2.46 115.15 113.73 2b7h h HIS 58 Ca 0.34 -0.27 0.03 0.00 -0.00 0.00 0.00 60.37 60.47 2b7h h HIS 58 Cb 0.06 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.24 2b7h h HIS 58 CO -0.03 1.04 0.44 0.78 -0.00 0.00 0.00 177.93 180.15 2b7h h GLY 59 N 0.91 0.90 0.99 5.26 0.00 0.14 -0.00 103.07 111.28 2b7h h GLY 59 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2b7h h GLY 59 CO 0.09 0.29 0.23 1.70 0.00 0.00 0.00 176.54 178.84 2b7h h LYS 60 N 0.81 0.49 -0.03 4.80 3.64 -1.03 0.31 116.57 125.56 2b7h h LYS 60 Ca 0.26 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2b7h h LYS 60 Cb 0.03 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2b7h h LYS 60 CO -0.07 0.35 0.01 0.87 -2.27 0.00 0.00 179.45 178.34 2b7h h LYS 61 N 0.48 0.03 -0.19 1.90 1.79 -0.81 0.00 116.57 119.77 2b7h h LYS 61 Ca 0.13 -0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.64 2b7h h LYS 61 Cb -0.02 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.59 2b7h h LYS 61 CO -0.03 0.02 -0.05 0.28 -1.08 0.00 0.00 179.45 178.59 2b7h h VAL 62 N 0.03 0.81 -0.65 0.50 2.07 -1.00 -1.50 116.25 116.50 2b7h h VAL 62 Ca 0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.67 2b7h h VAL 62 Cb 0.00 0.81 -0.10 0.00 -1.52 0.00 0.00 31.29 30.48 2b7h h VAL 62 CO -0.01 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.67 2b7h h ALA 63 N 1.18 0.75 -0.65 1.67 0.00 -0.14 -1.38 119.26 120.68 2b7h h ALA 63 Ca 0.09 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2b7h h ALA 63 Cb 0.14 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2b7h h ALA 63 CO -0.20 -0.35 0.16 -0.44 0.00 0.00 0.00 179.25 178.42 2b7h h ASP 64 N 0.21 0.99 -0.74 0.00 3.32 -0.52 0.11 116.42 119.79 2b7h h ASP 64 Ca 0.35 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 2b7h h ASP 64 Cb 0.57 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 2b7h h ASP 64 CO -0.49 0.97 0.25 0.00 -1.72 0.00 0.00 179.24 178.25 2b7h h ALA 65 N 1.06 0.96 -0.35 3.45 0.00 -0.75 0.61 119.26 124.24 2b7h h ALA 65 Ca 0.20 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2b7h h ALA 65 Cb 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2b7h h ALA 65 CO 0.00 0.62 -0.30 -0.07 0.00 0.00 0.00 179.25 179.51 2b7h h LEU 66 N 1.08 0.78 -0.21 0.00 3.38 -0.67 0.34 115.31 120.01 2b7h h LEU 66 Ca 0.24 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2b7h h LEU 66 Cb 0.28 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2b7h h LEU 66 CO -0.01 1.03 0.05 0.74 0.09 0.00 0.00 178.44 180.34 2b7h h THR 67 N 0.64 1.21 -0.64 0.22 2.02 -0.57 0.25 112.91 116.04 2b7h h THR 67 Ca 0.07 -0.68 0.12 0.00 0.77 0.00 0.00 66.41 66.70 2b7h h THR 67 Cb 0.83 1.26 -0.09 0.00 -1.74 0.00 0.00 68.15 68.40 2b7h h THR 67 CO 0.07 0.21 0.17 0.74 0.37 0.00 0.00 175.52 177.08 2b7h h THR 68 N 0.15 0.64 -0.55 3.16 2.02 -0.75 -1.18 112.91 116.41 2b7h h THR 68 Ca 0.07 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2b7h h THR 68 Cb 0.28 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2b7h h THR 68 CO 0.00 0.06 0.29 0.00 0.37 0.00 0.00 175.52 176.24 2b7h h ALA 69 N 1.50 0.70 -0.78 6.16 0.00 -0.08 -1.66 119.26 125.11 2b7h h ALA 69 Ca 0.34 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2b7h h ALA 69 Cb 0.51 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2b7h h ALA 69 CO -0.41 0.23 0.51 0.28 0.00 0.00 0.00 179.25 179.87 2b7h h VAL 70 N 0.73 1.17 0.00 0.00 2.07 -0.17 0.16 116.25 120.21 2b7h h VAL 70 Ca 0.19 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2b7h h VAL 70 Cb 0.06 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2b7h h VAL 70 CO -0.03 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.74 2b7h n ALA 71 N -2.42 1.77 -2.68 1.67 0.00 -0.48 -3.90 120.51 114.48 2b7h n ALA 71 Ca 0.09 -0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 2b7h n ALA 71 Cb 0.06 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.21 2b7h n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2b7h n HIS 72 N -1.83 1.26 0.26 0.00 8.25 0.46 -4.90 115.22 118.72 2b7h n HIS 72 Ca 0.03 -2.69 0.10 0.00 -0.26 0.00 0.00 57.72 54.91 2b7h n HIS 72 Cb 0.23 -0.34 0.70 0.00 1.12 0.00 0.00 29.99 31.69 2b7h n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2b7h h LEU 73 N 2.91 0.00 -0.95 2.41 3.38 -1.41 -0.55 115.31 121.10 2b7h h LEU 73 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2b7h h LEU 73 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2b7h h LEU 73 CO 0.46 0.07 0.00 0.47 0.09 0.00 0.00 178.44 179.53 2b7h n ASP 74 N -4.14 1.40 -2.72 -0.43 8.00 -1.26 -4.20 116.55 113.20 2b7h n ASP 74 Ca -0.03 -1.89 -0.08 0.00 0.71 0.00 0.00 54.79 53.50 2b7h n ASP 74 Cb 0.15 -0.15 0.09 0.00 -0.02 0.00 0.00 41.12 41.19 2b7h n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2b7h n ASP 75 N 0.23 -2.14 -0.21 -2.24 2.03 -0.25 -4.98 116.55 108.99 2b7h n ASP 75 Ca 0.11 -3.35 -0.05 0.00 0.52 0.00 0.00 54.79 52.02 2b7h n ASP 75 Cb 0.24 1.77 0.05 0.00 -0.72 0.00 0.00 41.12 42.46 2b7h n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2b7h h LEU 76 N 2.81 0.63 -0.66 -2.67 3.38 -1.64 -0.19 115.31 116.97 2b7h h LEU 76 Ca -0.15 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.94 2b7h h LEU 76 Cb 1.13 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.65 2b7h h LEU 76 CO 0.10 0.45 0.20 -0.65 0.09 0.00 0.00 178.44 178.62 2b7h h PRO 77 N 0.76 0.33 -0.14 1.13 0.11 -1.94 0.25 132.00 132.50 2b7h h PRO 77 Ca 0.23 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.25 2b7h h PRO 77 Cb -0.02 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 2b7h h PRO 77 CO -0.08 0.22 -0.22 0.78 -0.21 0.00 0.00 178.00 178.49 2b7h h GLY 78 N 0.34 0.42 1.33 -0.55 0.00 -1.89 -2.14 103.07 100.57 2b7h h GLY 78 Ca 0.36 -0.48 0.06 0.00 0.00 0.00 0.00 47.33 47.27 2b7h h GLY 78 CO -0.40 0.43 0.30 0.00 0.00 0.00 0.00 176.54 176.87 2b7h h ALA 79 N 0.56 1.98 -0.09 3.60 0.00 -0.85 -3.15 119.26 121.31 2b7h h ALA 79 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2b7h h ALA 79 Cb 0.79 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2b7h h ALA 79 CO 0.05 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.51 2b7h n LEU 80 N -4.47 2.44 0.15 0.00 4.77 0.06 -4.73 117.00 115.21 2b7h n LEU 80 Ca 0.06 -2.39 -0.13 0.00 -0.03 0.00 0.00 56.01 53.52 2b7h n LEU 80 Cb 0.27 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 2b7h n LEU 80 CO 0.35 0.61 0.74 -1.28 -1.33 0.00 0.00 177.39 176.48 2b7h h SER 81 N 0.53 -0.50 -0.59 -1.43 0.87 -1.34 0.20 113.55 111.28 2b7h h SER 81 Ca 0.00 0.05 0.11 0.00 -1.23 0.00 0.00 61.79 60.72 2b7h h SER 81 Cb 0.77 0.17 -0.08 0.00 -0.44 0.00 0.00 62.40 62.81 2b7h h SER 81 CO 0.02 -0.29 0.12 0.00 -0.53 0.00 0.00 176.83 176.16 2b7h h ALA 82 N 0.32 0.70 0.00 6.23 0.00 -1.85 -1.54 119.26 123.11 2b7h h ALA 82 Ca -0.00 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2b7h h ALA 82 Cb 0.39 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2b7h h ALA 82 CO -0.04 -0.31 -0.35 -0.07 0.00 0.00 0.00 179.25 178.49 2b7h h LEU 83 N 0.26 0.00 -0.50 0.00 3.38 -1.69 -1.59 115.31 115.17 2b7h h LEU 83 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2b7h h LEU 83 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2b7h h LEU 83 CO -0.40 0.35 0.32 0.28 0.09 0.00 0.00 178.44 179.08 2b7h h SER 84 N 0.00 0.59 -0.34 -0.43 0.02 0.37 -1.12 113.55 112.64 2b7h h SER 84 Ca -0.00 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2b7h h SER 84 Cb 0.69 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2b7h h SER 84 CO 0.05 0.45 0.08 0.44 -1.14 0.00 0.00 176.83 176.70 2b7h h ASP 85 N 0.67 0.51 -0.07 3.07 5.19 -0.82 -1.08 116.42 123.90 2b7h h ASP 85 Ca 0.18 -0.23 0.03 0.00 -0.62 0.00 0.00 57.03 56.39 2b7h h ASP 85 Cb -0.04 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.29 2b7h h ASP 85 CO -0.04 0.61 -0.15 0.25 -3.12 0.00 0.00 179.24 176.80 2b7h h LEU 86 N 0.39 -0.44 -0.33 1.55 5.85 -1.21 0.26 115.31 121.37 2b7h h LEU 86 Ca 0.10 0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.72 2b7h h LEU 86 Cb 0.30 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 2b7h h LEU 86 CO 0.00 -0.20 -0.55 0.45 -0.34 0.00 0.00 178.44 177.80 2b7h h HIS 87 N -0.21 1.05 0.00 1.25 3.86 -0.98 0.16 115.15 120.28 2b7h h HIS 87 Ca 0.07 -0.37 -0.02 0.00 -1.16 0.00 0.00 60.37 58.89 2b7h h HIS 87 Cb 0.31 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 2b7h h HIS 87 CO -0.23 1.19 -0.13 0.00 0.86 0.00 0.00 177.93 179.62 2b7h h ALA 88 N 0.73 0.02 0.09 2.45 0.00 -1.15 0.38 119.26 121.78 2b7h h ALA 88 Ca 0.01 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.32 2b7h h ALA 88 Cb 1.15 0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.04 2b7h h ALA 88 CO 0.12 0.08 -0.77 1.88 0.00 0.00 0.00 179.25 180.56 2b7h h TYR 89 N -1.00 0.59 0.04 0.00 0.05 -0.56 -2.61 116.97 113.49 2b7h h TYR 89 Ca -0.03 -0.39 -0.29 0.00 0.05 0.00 0.00 58.73 58.07 2b7h h TYR 89 Cb 0.73 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.39 2b7h h TYR 89 CO 0.17 1.26 -1.61 1.17 -1.05 0.00 0.00 178.16 178.10 2b7h n LYS 90 N -4.14 0.63 0.10 4.88 4.81 -0.53 -4.51 118.16 119.40 2b7h n LYS 90 Ca -0.13 0.44 0.07 0.00 -0.87 0.00 0.00 58.31 57.83 2b7h n LYS 90 Cb 0.78 -1.71 -0.01 0.00 0.02 0.00 0.00 35.03 34.11 2b7h n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2b7h h LEU 91 N -0.62 0.00 -1.69 3.14 3.38 -0.75 -3.48 115.31 115.29 2b7h h LEU 91 Ca -0.40 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.08 2b7h h LEU 91 Cb 1.58 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.28 2b7h h LEU 91 CO -0.12 0.22 -0.86 0.54 0.09 0.00 0.00 178.44 178.31 2b7h n ARG 92 N -2.83 -3.74 -2.09 1.13 3.00 -0.01 -4.87 116.66 107.25 2b7h n ARG 92 Ca -0.03 0.45 -0.42 0.00 -0.01 0.00 0.00 57.85 57.84 2b7h n ARG 92 Cb 0.65 -4.80 -0.03 0.00 0.00 0.00 0.00 32.46 28.29 2b7h n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2b7h s VAL 93 N -3.77 3.48 0.07 1.55 1.01 -0.43 -4.94 120.40 117.37 2b7h s VAL 93 Ca 0.16 0.84 -0.32 0.00 0.00 0.00 0.00 61.98 62.66 2b7h s VAL 93 Cb -0.09 -3.54 -0.11 0.00 0.00 0.00 0.00 36.38 32.65 2b7h s VAL 93 CO 0.88 -0.02 1.85 -0.67 0.00 0.00 0.00 175.10 177.14 2b7h n ASP 94 N 5.75 3.86 -0.46 3.32 -0.08 -1.26 -4.87 116.55 122.81 2b7h n ASP 94 Ca 0.15 0.98 0.38 0.00 -1.51 0.00 0.00 54.79 54.78 2b7h n ASP 94 Cb 0.42 -1.50 0.68 0.00 2.34 0.00 0.00 41.12 43.06 2b7h n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2b7h h PRO 95 N 8.85 0.10 -0.21 -0.67 0.11 -1.99 0.20 132.00 138.39 2b7h h PRO 95 Ca -0.47 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.66 2b7h h PRO 95 Cb 1.24 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2b7h h PRO 95 CO 0.94 0.06 0.14 -0.39 -0.21 0.00 0.00 178.00 178.55 2b7h h VAL 96 N 0.10 0.98 0.00 3.15 -1.51 -2.02 -2.58 116.25 114.37 2b7h h VAL 96 Ca 0.78 -0.06 -0.10 0.00 -1.23 0.00 0.00 66.70 66.09 2b7h h VAL 96 Cb 2.60 0.80 -0.01 0.00 -2.13 0.00 0.00 31.29 32.55 2b7h h VAL 96 CO -0.27 0.03 -0.46 0.78 -1.23 0.00 0.00 177.57 176.42 2b7h h ASN 97 N 0.16 0.00 -0.40 4.19 4.21 -1.32 -2.06 115.58 120.36 2b7h h ASN 97 Ca 0.09 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.57 2b7h h ASN 97 Cb 0.16 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.34 2b7h h ASN 97 CO -0.01 0.46 0.15 -0.26 -1.29 0.00 0.00 177.43 176.47 2b7h h PHE 98 N 0.00 0.69 -0.46 1.19 -1.00 -1.59 -0.80 116.94 114.97 2b7h h PHE 98 Ca -0.00 -0.04 -0.13 0.00 2.81 0.00 0.00 57.97 60.61 2b7h h PHE 98 Cb 0.86 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 2b7h h PHE 98 CO 0.00 0.57 -0.22 0.87 -1.61 0.00 0.00 178.31 177.92 2b7h h LYS 99 N 0.67 0.93 -0.09 1.51 1.57 -1.45 0.13 116.57 119.84 2b7h h LYS 99 Ca 0.16 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 2b7h h LYS 99 Cb 0.20 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2b7h h LYS 99 CO -0.01 1.05 0.03 -0.07 -0.57 0.00 0.00 179.45 179.89 2b7h h LEU 100 N 0.81 0.12 -0.77 2.94 3.38 -1.30 0.89 115.31 121.38 2b7h h LEU 100 Ca 0.11 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2b7h h LEU 100 Cb 0.78 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2b7h h LEU 100 CO 0.06 0.25 0.01 0.25 0.09 0.00 0.00 178.44 179.10 2b7h h LEU 101 N -0.02 0.91 -0.35 1.67 5.85 -1.02 -1.04 115.31 121.31 2b7h h LEU 101 Ca 0.03 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 2b7h h LEU 101 Cb 0.17 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2b7h h LEU 101 CO -0.00 0.97 0.15 0.28 -0.34 0.00 0.00 178.44 179.49 2b7h h SER 102 N 0.87 0.48 -0.54 1.25 0.02 -0.53 0.37 113.55 115.46 2b7h h SER 102 Ca 0.16 -0.16 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 2b7h h SER 102 Cb 0.50 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.85 2b7h h SER 102 CO 0.02 0.51 0.16 -0.74 -1.14 0.00 0.00 176.83 175.64 2b7h h HIS 103 N 0.42 0.27 -0.05 3.45 -0.00 -0.62 -0.80 115.15 117.82 2b7h h HIS 103 Ca 0.12 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.42 2b7h h HIS 103 Cb 0.17 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 2b7h h HIS 103 CO -0.01 0.05 -0.41 0.00 -0.00 0.00 0.00 177.93 177.57 2b7h h LEU 105 N 0.10 0.32 -0.13 0.00 3.38 0.15 -0.83 115.31 118.30 2b7h h LEU 105 Ca 0.01 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2b7h h LEU 105 Cb 0.76 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2b7h h LEU 105 CO 0.06 0.36 0.00 -0.07 0.09 0.00 0.00 178.44 178.88 2b7h h LEU 106 N 0.26 -0.05 -0.37 1.67 3.38 -0.38 0.54 115.31 120.36 2b7h h LEU 106 Ca 0.08 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2b7h h LEU 106 Cb 0.13 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2b7h h LEU 106 CO -0.01 -0.00 0.06 0.58 0.09 0.00 0.00 178.44 179.15 2b7h h VAL 107 N 0.04 0.79 -0.38 1.22 2.07 -0.95 0.27 116.25 119.32 2b7h h VAL 107 Ca 0.06 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2b7h h VAL 107 Cb 0.07 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 2b7h h VAL 107 CO -0.10 0.03 0.14 0.74 0.02 0.00 0.00 177.57 178.40 2b7h h THR 108 N 0.18 0.90 -0.65 2.57 2.02 -0.77 0.18 112.91 117.34 2b7h h THR 108 Ca 0.18 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 2b7h h THR 108 Cb 0.22 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2b7h h THR 108 CO -0.25 0.05 0.25 -0.07 0.37 0.00 0.00 175.52 175.88 2b7h h LEU 109 N 0.30 0.91 -1.26 2.58 3.38 -0.30 -2.32 115.31 118.61 2b7h h LEU 109 Ca 0.17 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2b7h h LEU 109 Cb 0.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2b7h h LEU 109 CO -0.17 0.84 -0.03 0.00 0.09 0.00 0.00 178.44 179.18 2b7h h ALA 110 N 1.11 1.39 -0.16 1.53 0.00 0.44 0.75 119.26 124.32 2b7h h ALA 110 Ca 0.22 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2b7h h ALA 110 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2b7h h ALA 110 CO -0.02 0.42 -0.26 0.00 0.00 0.00 0.00 179.25 179.40 2b7h n HIS 112 N -4.15 0.00 -3.21 0.00 -0.00 -0.91 -4.71 115.22 102.24 2b7h n HIS 112 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.48 2b7h n HIS 112 Cb 0.37 -0.62 -0.06 0.00 -0.00 0.00 0.00 29.99 29.68 2b7h n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2b7h n HIS 113 N -2.37 0.81 -0.28 4.41 -0.00 0.22 -4.94 115.22 113.07 2b7h n HIS 113 Ca -0.14 -3.76 0.04 0.00 -0.00 0.00 0.00 57.72 53.86 2b7h n HIS 113 Cb 0.75 -0.41 0.18 0.00 -0.00 0.00 0.00 29.99 30.51 2b7h n HIS 113 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2b7h h PRO 114 N 3.70 0.66 -0.51 -0.41 0.13 -1.77 -0.76 132.00 133.04 2b7h h PRO 114 Ca 0.10 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2b7h h PRO 114 Cb 0.83 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 2b7h h PRO 114 CO 0.56 0.44 0.32 1.15 -0.23 0.00 0.00 178.00 180.24 2b7h h THR 115 N 0.68 1.14 0.00 1.56 2.02 -1.92 -2.24 112.91 114.16 2b7h h THR 115 Ca 0.41 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 67.24 2b7h h THR 115 Cb 0.48 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2b7h h THR 115 CO -0.30 0.14 -0.29 -0.33 0.37 0.00 0.00 175.52 175.11 2b7h h GLU 116 N 0.68 0.00 -2.68 6.66 3.07 -1.83 -3.37 114.58 117.12 2b7h h GLU 116 Ca 0.18 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.47 2b7h h GLU 116 Cb -0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.84 2b7h h GLU 116 CO -0.04 0.29 2.58 0.34 -1.40 0.00 0.00 179.01 180.79 2b7h n PHE 117 N -3.28 1.92 -1.45 4.33 7.35 -0.34 -4.68 117.46 121.32 2b7h n PHE 117 Ca 0.01 -2.67 -0.30 0.00 -0.76 0.00 0.00 57.45 53.73 2b7h n PHE 117 Cb 0.56 -2.15 0.10 0.00 0.35 0.00 0.00 39.48 38.34 2b7h n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2b7h s THR 118 N 1.13 3.13 0.22 -2.13 -4.23 -1.26 -4.75 115.64 107.75 2b7h s THR 118 Ca 0.66 0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 61.46 2b7h s THR 118 Cb 0.22 -3.03 0.18 0.00 1.34 0.00 0.00 72.50 71.21 2b7h s THR 118 CO -0.06 -0.48 1.71 -0.65 -0.54 0.00 0.00 174.62 174.60 2b7h h PRO 119 N -1.14 0.30 -0.80 3.99 0.11 -1.98 0.07 132.00 132.55 2b7h h PRO 119 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 2b7h h PRO 119 Cb 1.26 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2b7h h PRO 119 CO 0.57 0.20 0.38 0.00 -0.21 0.00 0.00 178.00 178.94 2b7h h ALA 120 N 1.51 1.03 -0.17 -0.75 0.00 -1.95 -0.22 119.26 118.72 2b7h h ALA 120 Ca 0.35 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 2b7h h ALA 120 Cb 0.53 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2b7h h ALA 120 CO -0.41 0.61 -0.64 0.28 0.00 0.00 0.00 179.25 179.08 2b7h h VAL 121 N 1.14 1.32 -0.10 0.00 2.07 -1.75 -1.00 116.25 117.92 2b7h h VAL 121 Ca 0.27 -1.91 0.04 0.00 0.82 0.00 0.00 66.70 65.93 2b7h h VAL 121 Cb 0.13 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 2b7h h VAL 121 CO -0.03 0.60 -0.21 -0.74 0.02 0.00 0.00 177.57 177.21 2b7h h HIS 122 N 0.45 -0.54 -0.58 1.57 6.17 -0.63 0.19 115.15 121.78 2b7h h HIS 122 Ca -0.01 0.03 0.06 0.00 0.71 0.00 0.00 60.37 61.15 2b7h h HIS 122 Cb 1.22 0.25 -0.05 0.00 2.52 0.00 0.00 27.41 31.35 2b7h h HIS 122 CO 0.06 -0.28 0.29 0.00 0.71 0.00 0.00 177.93 178.71 2b7h h ALA 123 N 0.70 0.76 -0.29 5.26 0.00 -0.78 0.13 119.26 125.04 2b7h h ALA 123 Ca 0.09 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2b7h h ALA 123 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2b7h h ALA 123 CO -0.26 -0.06 0.08 0.77 0.00 0.00 0.00 179.25 179.78 2b7h h SER 124 N 0.55 0.43 -0.45 0.00 0.02 -0.74 -0.68 113.55 112.68 2b7h h SER 124 Ca 0.26 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2b7h h SER 124 Cb 0.19 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2b7h h SER 124 CO -0.19 0.54 0.24 -0.07 -1.14 0.00 0.00 176.83 176.21 2b7h h LEU 125 N 0.30 0.58 -0.30 5.07 3.38 -0.43 0.31 115.31 124.22 2b7h h LEU 125 Ca 0.09 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2b7h h LEU 125 Cb 0.27 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 2b7h h LEU 125 CO -0.00 0.52 -0.14 -0.78 0.09 0.00 0.00 178.44 178.13 2b7h h ASP 126 N 0.59 -0.47 -0.77 -0.43 3.58 -0.61 0.20 116.42 118.51 2b7h h ASP 126 Ca 0.16 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.72 2b7h h ASP 126 Cb 0.08 0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.35 2b7h h ASP 126 CO -0.02 -0.17 0.47 0.11 -2.88 0.00 0.00 179.24 176.74 2b7h h LYS 127 N -0.09 1.04 0.37 0.28 1.57 -0.72 -1.06 116.57 117.96 2b7h h LYS 127 Ca 0.15 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2b7h h LYS 127 Cb 0.33 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2b7h h LYS 127 CO -0.36 0.73 -0.38 0.35 -0.57 0.00 0.00 179.45 179.22 2b7h h PHE 128 N 1.05 -1.04 -0.17 -1.35 3.57 0.33 0.41 116.94 119.74 2b7h h PHE 128 Ca 0.28 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.73 2b7h h PHE 128 Cb -0.05 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2b7h h PHE 128 CO -0.01 -0.53 -0.14 0.74 -2.23 0.00 0.00 178.31 176.14 2b7h h PHE 129 N -0.78 0.29 -0.20 0.41 0.04 -0.38 -0.63 116.94 115.69 2b7h h PHE 129 Ca -0.03 -0.04 -0.15 0.00 2.80 0.00 0.00 57.97 60.55 2b7h h PHE 129 Cb 0.70 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 2b7h h PHE 129 CO -0.22 0.42 -0.50 1.15 -0.60 0.00 0.00 178.31 178.55 2b7h h THR 130 N 0.26 1.32 -0.39 -1.55 2.02 -1.13 0.21 112.91 113.65 2b7h h THR 130 Ca 0.05 -1.73 -0.12 0.00 0.77 0.00 0.00 66.41 65.38 2b7h h THR 130 Cb 0.41 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2b7h h THR 130 CO 0.02 0.54 -0.24 0.00 0.37 0.00 0.00 175.52 176.22 2b7h h ALA 131 N 1.01 0.56 -0.30 6.16 0.00 0.12 0.13 119.26 126.93 2b7h h ALA 131 Ca 0.02 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2b7h h ALA 131 Cb 1.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2b7h h ALA 131 CO 0.10 0.55 0.19 0.28 0.00 0.00 0.00 179.25 180.36 2b7h h VAL 132 N 0.66 1.10 -0.71 0.00 2.07 -1.09 -2.10 116.25 116.18 2b7h h VAL 132 Ca 0.08 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.42 2b7h h VAL 132 Cb 0.80 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 2b7h h VAL 132 CO 0.07 0.09 0.44 0.28 0.02 0.00 0.00 177.57 178.47 2b7h h SER 133 N 0.39 0.72 -0.41 0.57 0.02 -0.79 0.25 113.55 114.31 2b7h h SER 133 Ca 0.11 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 2b7h h SER 133 Cb -0.01 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 2b7h h SER 133 CO -0.02 0.50 0.22 0.74 -1.14 0.00 0.00 176.83 177.13 2b7h h THR 134 N 0.86 1.01 -0.50 -2.27 2.02 -0.60 0.67 112.91 114.09 2b7h h THR 134 Ca 0.29 -0.15 -0.12 0.00 0.77 0.00 0.00 66.41 67.19 2b7h h THR 134 Cb 0.03 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 2b7h h THR 134 CO -0.11 0.08 -0.16 0.58 0.37 0.00 0.00 175.52 176.28 2b7h h VAL 135 N 0.45 1.27 0.00 3.16 2.07 -0.68 -1.22 116.25 121.29 2b7h h VAL 135 Ca 0.17 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2b7h h VAL 135 Cb 0.05 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2b7h h VAL 135 CO -0.10 0.46 0.00 -0.07 0.02 0.00 0.00 177.57 177.87 2b7h h LEU 136 N 0.86 0.00 -2.59 2.57 3.38 0.14 -1.96 115.31 117.71 2b7h h LEU 136 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2b7h h LEU 136 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2b7h h LEU 136 CO 0.06 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.94 2b7h n THR 137 N -2.75 0.80 0.28 0.22 -2.24 0.17 -4.20 114.28 106.56 2b7h n THR 137 Ca 0.01 -0.90 0.17 0.00 -2.27 0.00 0.00 64.05 61.06 2b7h n THR 137 Cb 0.26 0.66 0.80 0.00 -2.10 0.00 0.00 70.33 69.95 2b7h n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2b7h h SER 138 N 2.68 0.00 0.00 3.42 4.64 -0.41 -2.04 113.55 121.84 2b7h h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2b7h h SER 138 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2b7h h SER 138 CO 0.00 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 2b7h n LYS 139 N -3.23 0.99 0.09 4.77 4.76 -1.26 -1.49 118.16 122.79 2b7h n LYS 139 Ca -0.01 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.55 2b7h n LYS 139 Cb 0.25 -1.46 0.12 0.00 -1.84 0.00 0.00 35.03 32.10 2b7h n LYS 139 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 2b7h h TYR 140 N 0.00 0.00 0.00 2.13 0.05 -1.74 -3.48 116.97 113.93 2b7h h TYR 140 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2b7h h TYR 140 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2b7h h TYR 140 CO 0.00 0.00 0.00 2.89 -1.05 0.00 0.00 178.16 180.00