#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b7h n HIS 2 N 0.00 0.00 -3.23 3.52 -0.00 -1.26 -5.10 115.22 109.15 2b7h n HIS 2 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.33 2b7h n HIS 2 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 2b7h n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2b7h s LEU 3 N 0.00 4.50 0.99 2.41 1.02 -1.26 -5.08 118.68 121.26 2b7h s LEU 3 Ca 0.00 1.26 -0.11 0.00 0.02 0.00 0.00 54.13 55.29 2b7h s LEU 3 Cb 0.00 -2.93 0.19 0.00 0.02 0.00 0.00 46.19 43.47 2b7h s LEU 3 CO 0.00 0.22 1.09 0.42 0.02 0.00 0.00 176.35 178.10 2b7h s THR 4 N -0.83 2.25 0.19 5.49 -4.23 -1.26 -4.79 115.64 112.46 2b7h s THR 4 Ca 0.30 0.08 -0.12 0.00 -1.18 0.00 0.00 61.69 60.77 2b7h s THR 4 Cb -0.19 -2.25 0.09 0.00 1.34 0.00 0.00 72.50 71.49 2b7h s THR 4 CO 0.19 -0.11 1.77 0.00 -0.54 0.00 0.00 174.62 175.93 2b7h h ALA 5 N -2.04 0.67 -0.77 3.99 0.00 -1.99 -1.05 119.26 118.07 2b7h h ALA 5 Ca -0.51 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.45 2b7h h ALA 5 Cb 1.29 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2b7h h ALA 5 CO 0.48 -0.13 0.51 1.49 0.00 0.00 0.00 179.25 181.60 2b7h h GLU 6 N 0.46 1.01 -0.31 0.00 4.57 -1.99 -0.57 114.58 117.74 2b7h h GLU 6 Ca 0.24 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.27 2b7h h GLU 6 Cb 0.20 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 2b7h h GLU 6 CO -0.20 0.67 -0.17 0.93 -1.18 0.00 0.00 179.01 179.05 2b7h h GLU 7 N 1.04 0.55 -0.48 1.92 5.08 -1.82 -0.99 114.58 119.89 2b7h h GLU 7 Ca 0.28 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 2b7h h GLU 7 Cb -0.11 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2b7h h GLU 7 CO -0.06 0.71 -0.08 0.87 -1.00 0.00 0.00 179.01 179.44 2b7h h LYS 8 N 0.50 0.85 -0.43 2.33 1.57 -0.24 -0.36 116.57 120.79 2b7h h LYS 8 Ca 0.08 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 2b7h h LYS 8 Cb 0.59 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2b7h h LYS 8 CO 0.04 0.91 0.16 1.03 -0.57 0.00 0.00 179.45 181.01 2b7h h SER 9 N 0.77 0.61 -0.85 0.86 0.87 -0.69 -1.28 113.55 113.85 2b7h h SER 9 Ca 0.13 -0.19 0.04 0.00 -1.23 0.00 0.00 61.79 60.55 2b7h h SER 9 Cb 0.58 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.33 2b7h h SER 9 CO 0.04 0.63 0.54 -0.07 -0.53 0.00 0.00 176.83 177.44 2b7h h LEU 10 N 0.56 0.87 0.03 2.23 3.38 -0.79 -1.42 115.31 120.17 2b7h h LEU 10 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2b7h h LEU 10 Cb 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2b7h h LEU 10 CO -0.01 0.58 -0.01 0.58 0.09 0.00 0.00 178.44 179.67 2b7h h VAL 11 N 1.02 1.37 -0.07 1.22 2.07 -0.90 -3.03 116.25 117.93 2b7h h VAL 11 Ca 0.35 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.46 2b7h h VAL 11 Cb 0.08 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2b7h h VAL 11 CO -0.14 0.34 -0.30 0.77 0.02 0.00 0.00 177.57 178.26 2b7h h SER 12 N -0.63 0.13 -0.64 0.57 4.64 -1.22 0.65 113.55 117.05 2b7h h SER 12 Ca -0.00 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 2b7h h SER 12 Cb 0.58 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 2b7h h SER 12 CO 0.01 0.43 0.21 1.23 -0.87 0.00 0.00 176.83 177.84 2b7h h GLY 13 N 0.99 1.07 0.83 -0.77 0.00 -1.27 -1.93 103.07 101.99 2b7h h GLY 13 Ca 0.02 -0.63 -0.17 0.00 0.00 0.00 0.00 47.33 46.55 2b7h h GLY 13 CO 0.04 0.59 -0.66 -2.00 0.00 0.00 0.00 176.54 174.51 2b7h h LEU 14 N 0.92 0.57 -0.81 3.11 5.85 -1.39 -3.33 115.31 120.23 2b7h h LEU 14 Ca 0.21 -0.77 0.07 0.00 0.84 0.00 0.00 57.88 58.24 2b7h h LEU 14 Cb 0.29 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2b7h h LEU 14 CO -0.01 1.26 0.48 -0.25 -0.34 0.00 0.00 178.44 179.59 2b7h h TRP 15 N -0.06 0.89 -0.44 1.25 2.91 -0.78 0.16 115.95 119.88 2b7h h TRP 15 Ca -0.08 0.03 0.13 0.00 1.13 0.00 0.00 58.89 60.09 2b7h h TRP 15 Cb 1.37 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 29.72 2b7h h TRP 15 CO 0.14 0.41 0.63 0.00 -1.03 0.00 0.00 178.44 178.60 2b7h h ALA 16 N 1.41 2.14 -0.07 2.65 0.00 -1.46 -1.48 119.26 122.46 2b7h h ALA 16 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2b7h h ALA 16 Cb 0.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2b7h h ALA 16 CO -0.20 -0.86 0.00 1.63 0.00 0.00 0.00 179.25 179.82 2b7h n LYS 17 N -3.36 1.22 -2.17 0.00 5.02 0.55 -4.96 118.16 114.45 2b7h n LYS 17 Ca 0.08 -1.46 -0.41 0.00 -2.02 0.00 0.00 58.31 54.50 2b7h n LYS 17 Cb 0.80 -1.29 -0.03 0.00 -0.02 0.00 0.00 35.03 34.50 2b7h n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2b7h s VAL 18 N -1.18 3.02 -0.55 -0.18 1.01 -0.56 -4.93 120.40 117.03 2b7h s VAL 18 Ca 0.18 0.89 -0.28 0.00 0.00 0.00 0.00 61.98 62.77 2b7h s VAL 18 Cb 0.12 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.95 2b7h s VAL 18 CO 0.18 0.16 1.39 0.21 0.00 0.00 0.00 175.10 177.04 2b7h s ASN 19 N 0.10 6.18 0.31 3.32 3.84 -1.26 -4.84 114.94 122.58 2b7h s ASN 19 Ca 0.55 0.33 0.26 0.00 0.21 0.00 0.00 52.86 54.20 2b7h s ASN 19 Cb -0.38 -2.55 1.01 0.00 -0.55 0.00 0.00 41.25 38.79 2b7h s ASN 19 CO 0.42 -1.66 1.76 -0.37 -2.79 0.00 0.00 177.10 174.47 2b7h h VAL 20 N 6.37 0.00 0.00 -5.21 -1.51 -1.95 -1.98 116.25 111.97 2b7h h VAL 20 Ca -0.27 -0.33 -0.15 0.00 -1.23 0.00 0.00 66.70 64.73 2b7h h VAL 20 Cb 1.09 1.14 -0.02 0.00 -2.13 0.00 0.00 31.29 31.37 2b7h h VAL 20 CO 1.17 0.00 -0.94 0.44 -1.23 0.00 0.00 177.57 177.01 2b7h h ASP 21 N 0.00 0.00 0.00 4.19 3.32 -1.97 -3.43 116.42 118.54 2b7h h ASP 21 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2b7h h ASP 21 Cb 0.45 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2b7h h ASP 21 CO 0.00 0.62 -1.38 -0.62 -1.72 0.00 0.00 179.24 176.13 2b7h n GLU 22 N -3.12 0.31 -0.19 3.56 -0.58 -0.97 -4.71 120.64 114.94 2b7h n GLU 22 Ca -0.03 0.04 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 2b7h n GLU 22 Cb 0.81 -1.13 0.31 0.00 -0.57 0.00 0.00 31.44 30.86 2b7h n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2b7h h VAL 23 N 0.00 1.10 -0.02 2.62 2.07 -1.63 -0.93 116.25 119.47 2b7h h VAL 23 Ca -0.15 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2b7h h VAL 23 Cb 1.24 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2b7h h VAL 23 CO -0.02 0.16 0.01 1.23 0.02 0.00 0.00 177.57 178.96 2b7h h GLY 24 N 0.86 0.03 1.70 2.17 0.00 -1.79 -1.02 103.07 105.02 2b7h h GLY 24 Ca 0.29 -0.01 -0.14 0.00 0.00 0.00 0.00 47.33 47.47 2b7h h GLY 24 CO -0.08 0.01 -0.52 -1.33 0.00 0.00 0.00 176.54 174.62 2b7h h GLY 25 N -0.12 0.35 1.04 4.60 0.00 -1.61 -1.01 103.07 106.31 2b7h h GLY 25 Ca 0.01 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 2b7h h GLY 25 CO -0.00 0.35 0.04 0.83 0.00 0.00 0.00 176.54 177.76 2b7h h GLU 26 N 0.25 0.97 -0.28 4.80 5.08 -1.07 0.94 114.58 125.27 2b7h h GLU 26 Ca 0.01 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 2b7h h GLU 26 Cb 1.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2b7h h GLU 26 CO 0.08 0.95 -0.02 0.00 -1.00 0.00 0.00 179.01 179.03 2b7h h ALA 27 N 0.98 0.38 -0.36 3.43 0.00 -0.99 0.10 119.26 122.81 2b7h h ALA 27 Ca 0.17 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2b7h h ALA 27 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2b7h h ALA 27 CO 0.02 0.14 0.02 1.25 0.00 0.00 0.00 179.25 180.68 2b7h h LEU 28 N 0.29 0.60 -0.09 0.00 5.85 -1.10 0.20 115.31 121.06 2b7h h LEU 28 Ca 0.08 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.54 2b7h h LEU 28 Cb 0.46 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 2b7h h LEU 28 CO 0.02 0.75 -0.19 1.23 -0.34 0.00 0.00 178.44 179.91 2b7h h GLY 29 N 0.44 -0.18 1.85 3.75 0.00 0.10 -0.83 103.07 108.20 2b7h h GLY 29 Ca 0.10 0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.58 2b7h h GLY 29 CO 0.02 -0.17 -0.29 3.21 0.00 0.00 0.00 176.54 179.30 2b7h h ARG 30 N -0.26 0.17 -0.16 4.80 3.08 -0.59 -1.07 114.38 120.36 2b7h h ARG 30 Ca 0.08 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2b7h h ARG 30 Cb 0.38 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2b7h h ARG 30 CO -0.24 0.46 0.06 1.25 -1.07 0.00 0.00 179.97 180.42 2b7h h LEU 31 N 0.16 0.07 -1.73 3.04 5.85 -0.14 0.84 115.31 123.41 2b7h h LEU 31 Ca 0.02 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2b7h h LEU 31 Cb 0.60 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 2b7h h LEU 31 CO 0.04 0.06 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.98 2b7h h LEU 32 N 0.14 0.00 0.08 2.25 3.38 -0.60 0.10 115.31 120.67 2b7h h LEU 32 Ca 0.07 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 2b7h h LEU 32 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2b7h h LEU 32 CO -0.07 0.16 -1.33 0.40 0.09 0.00 0.00 178.44 177.69 2b7h h ILE 33 N 0.00 1.02 -0.03 1.22 2.04 -0.80 -3.32 117.51 117.64 2b7h h ILE 33 Ca -0.00 -2.35 -0.14 0.00 1.00 0.00 0.00 64.86 63.37 2b7h h ILE 33 Cb 0.30 2.64 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 2b7h h ILE 33 CO 0.02 0.63 -0.62 0.58 0.00 0.00 0.00 178.15 178.77 2b7h h VAL 34 N -0.46 1.42 -2.51 1.67 2.07 0.90 -3.37 116.25 115.97 2b7h h VAL 34 Ca -0.30 -2.06 -0.60 0.00 0.82 0.00 0.00 66.70 64.56 2b7h h VAL 34 Cb 1.64 2.08 -0.40 0.00 -1.52 0.00 0.00 31.29 33.09 2b7h h VAL 34 CO 0.00 0.60 -0.78 -1.22 0.02 0.00 0.00 177.57 176.19 2b7h n TYR 35 N -3.84 1.51 0.30 1.57 4.01 0.34 -4.99 117.16 116.07 2b7h n TYR 35 Ca -0.02 -3.86 0.18 0.00 -0.16 0.00 0.00 57.90 54.04 2b7h n TYR 35 Cb 0.62 -0.31 0.91 0.00 -0.31 0.00 0.00 39.34 40.25 2b7h n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2b7h h PRO 36 N 4.97 0.00 -0.02 -0.72 0.11 -1.73 -0.57 132.00 134.04 2b7h h PRO 36 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2b7h h PRO 36 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 2b7h h PRO 36 CO 0.60 0.03 0.02 0.11 -0.21 0.00 0.00 178.00 178.55 2b7h h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.91 -1.49 115.95 113.28 2b7h h TRP 37 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 58.98 2b7h h TRP 37 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.50 2b7h h TRP 37 CO 0.00 0.00 -0.01 1.79 0.09 0.00 0.00 178.44 180.31 2b7h h THR 38 N 0.00 0.13 0.00 0.12 1.35 -1.41 -1.38 112.91 111.72 2b7h h THR 38 Ca 0.01 -0.07 -0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2b7h h THR 38 Cb 0.04 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2b7h h THR 38 CO -0.00 0.01 -0.02 1.56 -0.25 0.00 0.00 175.52 176.82 2b7h h GLN 39 N 0.00 0.00 -0.60 4.72 4.20 -1.47 -2.57 115.11 119.40 2b7h h GLN 39 Ca -0.00 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.88 2b7h h GLN 39 Cb 0.06 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2b7h h GLN 39 CO 0.00 0.02 0.43 -0.09 -0.67 0.00 0.00 178.83 178.52 2b7h h ARG 40 N 0.00 0.01 -0.00 1.46 2.43 -1.45 0.57 114.38 117.40 2b7h h ARG 40 Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2b7h h ARG 40 Cb 0.08 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2b7h h ARG 40 CO 0.00 0.01 -0.02 1.19 -1.51 0.00 0.00 179.97 179.63 2b7h n PHE 41 N -4.36 0.00 -2.41 2.20 3.72 -0.97 -4.15 117.46 111.50 2b7h n PHE 41 Ca 0.11 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.46 2b7h n PHE 41 Cb 0.67 -0.15 0.05 0.00 -0.94 0.00 0.00 39.48 39.11 2b7h n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2b7h n PHE 42 N -1.03 1.34 0.26 1.38 3.72 0.19 -4.76 117.46 118.55 2b7h n PHE 42 Ca 0.18 -1.82 0.10 0.00 -0.05 0.00 0.00 57.45 55.87 2b7h n PHE 42 Cb 0.21 -0.25 0.69 0.00 -0.94 0.00 0.00 39.48 39.18 2b7h n PHE 42 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2b7h h ASP 43 N 2.03 0.00 0.42 4.37 3.32 -1.72 -1.57 116.42 123.27 2b7h h ASP 43 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2b7h h ASP 43 Cb 1.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.97 2b7h h ASP 43 CO 0.31 0.11 -0.06 -1.54 -1.72 0.00 0.00 179.24 176.34 2b7h n SER 44 N -3.94 0.27 -0.19 6.45 3.41 -1.26 -3.89 113.62 114.47 2b7h n SER 44 Ca -0.02 -0.44 0.13 0.00 -0.26 0.00 0.00 58.87 58.28 2b7h n SER 44 Cb 0.20 -0.15 0.35 0.00 -0.26 0.00 0.00 64.21 64.36 2b7h n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2b7h n PHE 45 N -1.08 0.00 -3.25 7.33 3.01 -0.59 -5.05 117.46 117.83 2b7h n PHE 45 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 2b7h n PHE 45 Cb 0.25 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 2b7h n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2b7h n GLY 46 N 1.38 -1.17 3.59 1.37 0.00 -1.25 -4.74 105.19 104.36 2b7h n GLY 46 Ca 0.11 -1.38 -0.48 0.00 0.00 0.00 0.00 46.02 44.26 2b7h n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2b7h n ASP 47 N 0.27 2.97 -0.38 1.61 -0.08 -1.26 -4.81 116.55 114.86 2b7h n ASP 47 Ca 0.00 0.64 0.06 0.00 -1.51 0.00 0.00 54.79 53.98 2b7h n ASP 47 Cb 0.00 -1.37 0.09 0.00 2.34 0.00 0.00 41.12 42.18 2b7h n ASP 47 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2b7h n LEU 48 N 8.69 1.48 -0.15 -2.67 4.77 -1.26 -4.20 117.00 123.67 2b7h n LEU 48 Ca 0.30 -2.38 0.14 0.00 -0.03 0.00 0.00 56.01 54.04 2b7h n LEU 48 Cb 0.30 -0.26 0.59 0.00 -2.33 0.00 0.00 43.42 41.72 2b7h n LEU 48 CO 0.73 0.61 0.86 -1.54 -1.33 0.00 0.00 177.39 176.72 2b7h n SER 49 N -0.77 0.58 -3.88 -1.43 3.41 -1.26 -4.64 113.62 105.64 2b7h n SER 49 Ca 0.10 -0.69 -0.09 0.00 -0.26 0.00 0.00 58.87 57.93 2b7h n SER 49 Cb 0.70 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.53 2b7h n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2b7h s THR 50 N -2.43 0.14 0.36 6.66 -4.23 -1.26 -5.01 115.64 109.87 2b7h s THR 50 Ca 0.30 -1.13 0.10 0.00 -1.18 0.00 0.00 61.69 59.77 2b7h s THR 50 Cb 0.20 -1.18 0.33 0.00 1.34 0.00 0.00 72.50 73.20 2b7h s THR 50 CO 0.47 -0.63 1.85 -0.65 -0.54 0.00 0.00 174.62 175.12 2b7h h PRO 51 N 3.10 0.64 -0.40 3.99 0.11 -1.99 -0.09 132.00 137.35 2b7h h PRO 51 Ca -0.33 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.63 2b7h h PRO 51 Cb 1.19 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2b7h h PRO 51 CO 0.54 0.42 -0.16 -0.44 -0.21 0.00 0.00 178.00 178.15 2b7h h ASP 52 N 0.66 0.85 -0.62 -2.05 5.19 -1.97 -0.07 116.42 118.40 2b7h h ASP 52 Ca 0.47 -0.39 -0.07 0.00 -0.62 0.00 0.00 57.03 56.43 2b7h h ASP 52 Cb 0.83 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 40.08 2b7h h ASP 52 CO -0.23 1.05 0.14 0.77 -3.12 0.00 0.00 179.24 177.85 2b7h h SER 53 N 0.64 0.97 -0.08 6.45 4.64 -1.81 -0.33 113.55 124.03 2b7h h SER 53 Ca 0.09 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2b7h h SER 53 Cb 0.71 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2b7h h SER 53 CO 0.05 0.95 0.05 0.58 -0.87 0.00 0.00 176.83 177.59 2b7h h VAL 54 N 0.98 1.02 0.00 0.95 2.07 -0.79 -0.01 116.25 120.47 2b7h h VAL 54 Ca 0.20 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2b7h h VAL 54 Cb 0.36 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2b7h h VAL 54 CO 0.00 0.02 0.00 0.24 0.02 0.00 0.00 177.57 177.86 2b7h h MET 55 N 0.11 0.00 -0.34 1.57 2.07 -0.75 -2.50 114.93 115.09 2b7h h MET 55 Ca 0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 2b7h h MET 55 Cb -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.72 2b7h h MET 55 CO -0.01 0.00 0.00 -1.13 1.07 0.00 0.00 176.91 176.84 2b7h n SER 56 N -3.03 3.13 -4.60 1.22 3.41 -0.16 -4.93 113.62 108.65 2b7h n SER 56 Ca 0.03 -1.90 -0.43 0.00 -0.26 0.00 0.00 58.87 56.30 2b7h n SER 56 Cb 0.43 -0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 2b7h n SER 56 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2b7h s ASN 57 N -1.24 6.26 0.30 4.04 3.84 -0.03 -4.90 114.94 123.22 2b7h s ASN 57 Ca 0.32 1.02 0.02 0.00 0.21 0.00 0.00 52.86 54.43 2b7h s ASN 57 Cb 0.18 -2.54 0.58 0.00 -0.55 0.00 0.00 41.25 38.93 2b7h s ASN 57 CO 0.25 -1.46 1.88 0.00 -2.79 0.00 0.00 177.10 174.98 2b7h h ALA 58 N 11.10 1.56 -0.07 1.71 0.00 -1.89 -1.51 119.26 130.16 2b7h h ALA 58 Ca -0.29 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 2b7h h ALA 58 Cb 1.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2b7h h ALA 58 CO 1.06 0.24 -0.68 -0.22 0.00 0.00 0.00 179.25 179.65 2b7h h LYS 59 N 0.97 0.33 -0.71 0.00 3.64 -1.90 0.18 116.57 119.08 2b7h h LYS 59 Ca 0.44 -0.25 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2b7h h LYS 59 Cb 0.38 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 2b7h h LYS 59 CO -0.20 0.89 0.47 0.28 -2.27 0.00 0.00 179.45 178.62 2b7h h VAL 60 N 0.23 1.16 -0.41 2.00 2.07 -1.74 0.66 116.25 120.23 2b7h h VAL 60 Ca -0.02 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.07 2b7h h VAL 60 Cb 1.24 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2b7h h VAL 60 CO 0.11 0.17 -0.16 0.11 0.02 0.00 0.00 177.57 177.82 2b7h h LYS 61 N 0.94 0.83 -0.12 1.57 1.57 -0.73 0.38 116.57 121.01 2b7h h LYS 61 Ca 0.27 -0.35 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 2b7h h LYS 61 Cb -0.08 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.20 2b7h h LYS 61 CO -0.07 0.98 -0.53 0.00 -0.57 0.00 0.00 179.45 179.26 2b7h h ALA 62 N 0.83 0.22 -0.54 3.86 0.00 -0.48 -2.39 119.26 120.76 2b7h h ALA 62 Ca 0.09 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 2b7h h ALA 62 Cb 0.71 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2b7h h ALA 62 CO 0.05 0.43 0.06 1.25 0.00 0.00 0.00 179.25 181.04 2b7h h HIS 63 N 0.20 0.97 -0.28 0.00 -0.00 -0.89 -2.56 115.15 112.59 2b7h h HIS 63 Ca -0.03 -0.15 0.04 0.00 -0.00 0.00 0.00 60.37 60.23 2b7h h HIS 63 Cb 1.17 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 28.31 2b7h h HIS 63 CO 0.11 0.88 0.19 0.78 -0.00 0.00 0.00 177.93 179.88 2b7h h GLY 64 N 0.79 0.25 1.21 5.26 0.00 -0.87 0.85 103.07 110.55 2b7h h GLY 64 Ca 0.16 -0.08 -0.17 0.00 0.00 0.00 0.00 47.33 47.23 2b7h h GLY 64 CO 0.02 0.07 -0.48 1.70 0.00 0.00 0.00 176.54 177.85 2b7h h LYS 65 N 0.22 0.85 -0.68 4.80 3.64 -1.04 0.21 116.57 124.57 2b7h h LYS 65 Ca 0.12 -0.50 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 2b7h h LYS 65 Cb 0.20 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2b7h h LYS 65 CO -0.02 1.14 0.40 0.87 -2.27 0.00 0.00 179.45 179.56 2b7h h LYS 66 N 0.67 0.93 -0.21 1.90 1.57 -0.95 -0.54 116.57 119.94 2b7h h LYS 66 Ca 0.03 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2b7h h LYS 66 Cb 1.07 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 2b7h h LYS 66 CO 0.11 0.68 0.11 0.28 -0.57 0.00 0.00 179.45 180.05 2b7h h VAL 67 N 0.93 1.12 -0.94 0.50 2.07 -0.64 -1.60 116.25 117.69 2b7h h VAL 67 Ca 0.24 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.45 2b7h h VAL 67 Cb -0.01 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2b7h h VAL 67 CO -0.04 0.12 0.62 0.25 0.02 0.00 0.00 177.57 178.53 2b7h h LEU 68 N 0.22 1.05 -1.27 2.57 5.85 -0.41 -0.87 115.31 122.45 2b7h h LEU 68 Ca 0.07 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 2b7h h LEU 68 Cb 0.09 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2b7h h LEU 68 CO -0.01 0.74 -0.36 -1.13 -0.34 0.00 0.00 178.44 177.34 2b7h h ASN 69 N 1.23 0.00 -0.16 1.25 -0.73 -0.80 -0.09 115.58 116.28 2b7h h ASN 69 Ca 0.35 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.32 2b7h h ASN 69 Cb -0.08 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.51 2b7h h ASN 69 CO -0.09 0.36 -0.70 -1.28 -0.37 0.00 0.00 177.43 175.35 2b7h h SER 70 N 0.00 0.91 -0.84 1.15 0.87 -0.28 -0.15 113.55 115.23 2b7h h SER 70 Ca -0.00 -0.56 0.05 0.00 -1.23 0.00 0.00 61.79 60.05 2b7h h SER 70 Cb 0.66 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 62.30 2b7h h SER 70 CO 0.05 1.36 0.52 -0.26 -0.53 0.00 0.00 176.83 177.97 2b7h h PHE 71 N 0.56 0.97 -0.68 2.24 0.04 -0.57 -0.44 116.94 119.06 2b7h h PHE 71 Ca -0.03 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2b7h h PHE 71 Cb 1.32 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 39.12 2b7h h PHE 71 CO 0.08 0.51 0.32 0.77 -0.60 0.00 0.00 178.31 179.39 2b7h h SER 72 N 0.97 0.90 -0.55 2.17 0.02 -0.68 0.98 113.55 117.36 2b7h h SER 72 Ca 0.36 -0.14 0.06 0.00 -0.84 0.00 0.00 61.79 61.23 2b7h h SER 72 Cb 0.12 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.38 2b7h h SER 72 CO -0.16 0.79 0.25 0.44 -1.14 0.00 0.00 176.83 177.01 2b7h h ASP 73 N 0.95 0.32 -0.30 3.07 3.32 -0.50 0.68 116.42 123.96 2b7h h ASP 73 Ca 0.23 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.36 2b7h h ASP 73 Cb 0.13 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2b7h h ASP 73 CO -0.03 0.21 0.12 1.23 -1.72 0.00 0.00 179.24 179.05 2b7h h GLY 74 N 0.47 0.39 2.00 2.75 0.00 -0.37 -1.70 103.07 106.61 2b7h h GLY 74 Ca 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 2b7h h GLY 74 CO -0.21 0.04 -0.11 1.41 0.00 0.00 0.00 176.54 177.67 2b7h h LEU 75 N 0.26 0.00 0.00 3.11 3.38 -0.19 -0.93 115.31 120.94 2b7h h LEU 75 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2b7h h LEU 75 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2b7h h LEU 75 CO -0.13 0.11 -0.23 0.29 0.09 0.00 0.00 178.44 178.58 2b7h n LYS 76 N -3.66 0.25 -3.20 1.13 5.02 0.17 -4.24 118.16 113.64 2b7h n LYS 76 Ca -0.02 0.15 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 2b7h n LYS 76 Cb 0.22 -1.74 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 2b7h n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2b7h n ASN 77 N -2.14 0.66 0.27 4.39 4.05 -0.40 -4.96 115.26 117.13 2b7h n ASN 77 Ca 0.05 -2.85 0.18 0.00 0.45 0.00 0.00 54.58 52.40 2b7h n ASN 77 Cb 0.42 -0.63 0.79 0.00 1.23 0.00 0.00 39.78 41.59 2b7h n ASN 77 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2b7h h LEU 78 N 3.67 0.00 -2.12 1.20 3.38 -1.62 -1.94 115.31 117.88 2b7h h LEU 78 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2b7h h LEU 78 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2b7h h LEU 78 CO 0.50 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.50 2b7h n ASP 79 N -2.94 3.17 -2.68 -0.43 8.00 -1.26 -4.22 116.55 116.19 2b7h n ASP 79 Ca -0.00 -1.95 -0.09 0.00 0.71 0.00 0.00 54.79 53.46 2b7h n ASP 79 Cb 0.23 -0.24 0.04 0.00 -0.02 0.00 0.00 41.12 41.13 2b7h n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2b7h n ASN 80 N 1.30 1.05 -0.00 -2.24 5.15 -0.74 -4.93 115.26 114.86 2b7h n ASN 80 Ca 0.19 -2.70 -0.01 0.00 -0.60 0.00 0.00 54.58 51.47 2b7h n ASN 80 Cb 0.56 -0.36 0.27 0.00 -0.53 0.00 0.00 39.78 39.72 2b7h n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2b7h h LEU 81 N 2.89 0.50 0.33 1.20 3.38 -1.70 -1.88 115.31 120.03 2b7h h LEU 81 Ca -0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2b7h h LEU 81 Cb 1.19 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2b7h h LEU 81 CO 0.44 0.60 -0.27 0.50 0.09 0.00 0.00 178.44 179.80 2b7h h LYS 82 N 0.49 -0.59 -0.10 1.13 1.63 -1.91 -2.10 116.57 115.13 2b7h h LYS 82 Ca 0.10 0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.96 2b7h h LYS 82 Cb 0.40 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.14 2b7h h LYS 82 CO 0.02 -0.39 -0.03 0.78 -3.45 0.00 0.00 179.45 176.37 2b7h h GLY 83 N -0.61 0.06 0.83 5.01 0.00 -1.94 -1.56 103.07 104.86 2b7h h GLY 83 Ca -0.02 0.04 0.12 0.00 0.00 0.00 0.00 47.33 47.48 2b7h h GLY 83 CO -0.02 -0.05 0.47 -0.84 0.00 0.00 0.00 176.54 176.10 2b7h h THR 84 N -0.02 0.85 -0.23 4.70 2.02 -1.26 -2.94 112.91 116.03 2b7h h THR 84 Ca 0.05 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2b7h h THR 84 Cb 0.09 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2b7h h THR 84 CO -0.11 0.08 0.00 0.49 0.37 0.00 0.00 175.52 176.35 2b7h n PHE 85 N -4.48 0.30 0.13 3.16 3.72 -0.80 -4.67 117.46 114.82 2b7h n PHE 85 Ca 0.13 -0.30 -0.13 0.00 -0.05 0.00 0.00 57.45 57.09 2b7h n PHE 85 Cb 0.45 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.91 2b7h n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2b7h h ALA 86 N 2.24 -0.58 -0.55 4.37 0.00 -1.10 0.83 119.26 124.47 2b7h h ALA 86 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2b7h h ALA 86 Cb 0.65 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2b7h h ALA 86 CO 0.00 -0.88 0.25 -0.22 0.00 0.00 0.00 179.25 178.40 2b7h h LYS 87 N -0.57 0.45 -0.27 0.00 3.64 -1.83 -0.44 116.57 117.56 2b7h h LYS 87 Ca 0.02 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 2b7h h LYS 87 Cb 0.59 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2b7h h LYS 87 CO -0.18 0.30 -0.31 -0.07 -2.27 0.00 0.00 179.45 176.92 2b7h h LEU 88 N 0.47 0.58 -0.30 5.20 3.38 -1.77 -0.68 115.31 122.19 2b7h h LEU 88 Ca 0.26 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2b7h h LEU 88 Cb 0.23 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2b7h h LEU 88 CO -0.22 0.86 0.14 -1.28 0.09 0.00 0.00 178.44 178.04 2b7h h SER 89 N 0.48 0.40 -0.47 -0.43 0.87 0.13 0.19 113.55 114.72 2b7h h SER 89 Ca 0.06 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2b7h h SER 89 Cb 0.78 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 2b7h h SER 89 CO 0.06 0.41 0.26 -0.33 -0.53 0.00 0.00 176.83 176.71 2b7h h GLU 90 N 0.35 0.66 0.12 2.24 5.08 -0.97 -0.06 114.58 122.01 2b7h h GLU 90 Ca 0.10 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2b7h h GLU 90 Cb 0.12 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2b7h h GLU 90 CO -0.01 0.51 -0.30 1.25 -1.00 0.00 0.00 179.01 179.45 2b7h h LEU 91 N 0.62 -0.87 -0.89 1.33 5.85 -0.95 0.25 115.31 120.64 2b7h h LEU 91 Ca 0.17 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.89 2b7h h LEU 91 Cb 0.04 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2b7h h LEU 91 CO -0.03 -0.39 -0.27 0.45 -0.34 0.00 0.00 178.44 177.86 2b7h h HIS 92 N -0.53 0.56 0.00 1.25 3.86 -0.77 0.33 115.15 119.86 2b7h h HIS 92 Ca 0.03 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.07 2b7h h HIS 92 Cb 0.56 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 2b7h h HIS 92 CO -0.27 0.72 -0.40 0.00 0.86 0.00 0.00 177.93 178.84 2b7h h ASP 94 N -1.00 0.27 0.00 0.00 3.32 -0.59 -2.75 116.42 115.67 2b7h h ASP 94 Ca -0.07 -0.32 -0.38 0.00 0.02 0.00 0.00 57.03 56.29 2b7h h ASP 94 Cb 0.59 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.99 2b7h h ASP 94 CO -0.04 1.26 -2.39 0.29 -1.72 0.00 0.00 179.24 176.63 2b7h n LYS 95 N -3.43 0.60 0.01 3.56 4.76 -0.35 -4.63 118.16 118.67 2b7h n LYS 95 Ca -0.09 0.16 -0.04 0.00 -2.87 0.00 0.00 58.31 55.47 2b7h n LYS 95 Cb 1.01 -1.47 -0.11 0.00 -1.84 0.00 0.00 35.03 32.61 2b7h n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2b7h n LEU 96 N -3.37 0.81 -3.04 -0.35 4.77 0.10 -4.98 117.00 110.96 2b7h n LEU 96 Ca -0.44 0.37 -0.19 0.00 -0.03 0.00 0.00 56.01 55.72 2b7h n LEU 96 Cb 0.94 0.13 0.07 0.00 -2.33 0.00 0.00 43.42 42.23 2b7h n LEU 96 CO 0.21 0.25 0.19 1.41 -1.33 0.00 0.00 177.39 178.12 2b7h n HIS 97 N -2.93 -2.31 -2.94 -1.77 8.25 0.30 -4.98 115.22 108.83 2b7h n HIS 97 Ca -0.13 0.83 -0.41 0.00 -0.26 0.00 0.00 57.72 57.74 2b7h n HIS 97 Cb 0.93 -4.34 -0.05 0.00 1.12 0.00 0.00 29.99 27.65 2b7h n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2b7h s VAL 98 N -3.27 4.88 0.28 1.59 1.01 0.08 -5.02 120.40 119.96 2b7h s VAL 98 Ca 0.43 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.60 2b7h s VAL 98 Cb -0.19 -4.08 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 2b7h s VAL 98 CO 0.60 -0.02 1.58 -0.62 0.00 0.00 0.00 175.10 176.65 2b7h s ASP 99 N 1.29 6.40 0.54 3.32 -1.08 -1.26 -4.70 116.67 121.19 2b7h s ASP 99 Ca 0.34 2.92 0.21 0.00 -0.52 0.00 0.00 52.55 55.50 2b7h s ASP 99 Cb -0.16 -2.63 1.47 0.00 -1.46 0.00 0.00 42.92 40.15 2b7h s ASP 99 CO 0.09 -0.90 2.19 -0.65 0.52 0.00 0.00 175.17 176.42 2b7h h PRO 100 N 4.97 0.00 -1.10 4.34 0.11 -1.97 -1.98 132.00 136.38 2b7h h PRO 100 Ca -0.47 0.00 0.30 0.00 0.11 0.00 0.00 66.00 65.94 2b7h h PRO 100 Cb 1.22 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.23 2b7h h PRO 100 CO 0.80 0.01 0.71 1.49 -0.21 0.00 0.00 178.00 180.80 2b7h h GLU 101 N 0.00 0.30 0.00 1.05 4.57 -1.99 0.52 114.58 119.03 2b7h h GLU 101 Ca -0.00 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 2b7h h GLU 101 Cb 0.01 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 2b7h h GLU 101 CO 0.00 0.20 -0.39 -0.91 -1.18 0.00 0.00 179.01 176.73 2b7h h ASN 102 N 0.31 0.00 -0.75 1.04 2.35 -1.72 -1.71 115.58 115.10 2b7h h ASN 102 Ca 0.63 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.40 2b7h h ASN 102 Cb 1.75 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 40.07 2b7h h ASN 102 CO -0.29 0.39 0.48 -0.26 -1.65 0.00 0.00 177.43 176.10 2b7h h PHE 103 N 0.00 0.91 -0.46 1.19 0.04 -1.04 0.19 116.94 117.77 2b7h h PHE 103 Ca -0.00 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.70 2b7h h PHE 103 Cb 0.77 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 2b7h h PHE 103 CO 0.00 0.54 -0.05 0.87 -0.60 0.00 0.00 178.31 179.06 2b7h h LYS 104 N 0.95 0.84 -0.39 1.51 1.57 -1.31 -0.07 116.57 119.68 2b7h h LYS 104 Ca 0.29 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2b7h h LYS 104 Cb -0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2b7h h LYS 104 CO -0.09 0.92 0.24 -0.07 -0.57 0.00 0.00 179.45 179.88 2b7h h LEU 105 N 0.69 0.40 -0.55 2.94 3.38 -1.00 -0.02 115.31 121.15 2b7h h LEU 105 Ca 0.12 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2b7h h LEU 105 Cb 0.57 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2b7h h LEU 105 CO 0.03 0.29 0.28 0.25 0.09 0.00 0.00 178.44 179.38 2b7h h LEU 106 N 0.49 0.70 -0.80 1.67 5.85 -0.49 0.18 115.31 122.90 2b7h h LEU 106 Ca 0.15 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2b7h h LEU 106 Cb -0.02 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 2b7h h LEU 106 CO -0.05 0.61 0.52 1.23 -0.34 0.00 0.00 178.44 180.41 2b7h h GLY 107 N 0.73 1.16 1.80 3.75 0.00 -0.55 0.23 103.07 110.19 2b7h h GLY 107 Ca 0.19 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 2b7h h GLY 107 CO -0.03 0.35 -0.53 3.43 0.00 0.00 0.00 176.54 179.76 2b7h h ASN 108 N 1.02 0.23 -0.47 0.19 -0.26 -0.67 -0.53 115.58 115.10 2b7h h ASN 108 Ca 0.32 -0.12 -0.13 0.00 -0.56 0.00 0.00 56.30 55.80 2b7h h ASN 108 Cb -0.02 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 2b7h h ASN 108 CO -0.10 0.72 -0.23 0.58 -1.06 0.00 0.00 177.43 177.34 2b7h h VAL 109 N 0.17 1.27 -0.58 2.81 2.07 -0.51 -0.51 116.25 120.96 2b7h h VAL 109 Ca 0.00 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.15 2b7h h VAL 109 Cb 1.00 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 2b7h h VAL 109 CO 0.08 0.48 0.35 0.25 0.02 0.00 0.00 177.57 178.76 2b7h h LEU 110 N 0.85 0.58 -0.64 2.57 5.85 -0.67 -0.41 115.31 123.43 2b7h h LEU 110 Ca 0.11 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2b7h h LEU 110 Cb 0.81 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 2b7h h LEU 110 CO 0.07 0.40 0.34 0.58 -0.34 0.00 0.00 178.44 179.49 2b7h h VAL 111 N 0.70 0.93 -0.73 1.05 2.07 -0.83 0.18 116.25 119.62 2b7h h VAL 111 Ca 0.24 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.61 2b7h h VAL 111 Cb 0.02 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 29.99 2b7h h VAL 111 CO -0.10 0.11 0.42 0.00 0.02 0.00 0.00 177.57 178.02 2b7h h VAL 113 N 0.76 1.27 -0.58 0.00 2.07 -0.59 0.43 116.25 119.60 2b7h h VAL 113 Ca 0.33 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.69 2b7h h VAL 113 Cb 0.21 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2b7h h VAL 113 CO -0.19 0.41 0.37 -0.07 0.02 0.00 0.00 177.57 178.12 2b7h h LEU 114 N 0.82 0.63 -0.32 2.57 3.38 -0.28 0.29 115.31 122.40 2b7h h LEU 114 Ca 0.14 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2b7h h LEU 114 Cb 0.60 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2b7h h LEU 114 CO 0.04 0.45 0.17 0.00 0.09 0.00 0.00 178.44 179.19 2b7h h ALA 115 N 1.23 0.40 -0.53 1.53 0.00 -0.51 0.27 119.26 121.66 2b7h h ALA 115 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2b7h h ALA 115 Cb -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2b7h h ALA 115 CO -0.07 -0.20 0.34 1.25 0.00 0.00 0.00 179.25 180.58 2b7h h HIS 116 N 0.36 0.67 0.01 0.00 -0.00 0.47 0.24 115.15 116.89 2b7h h HIS 116 Ca 0.13 0.01 -0.22 0.00 -0.00 0.00 0.00 60.37 60.30 2b7h h HIS 116 Cb 0.03 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.21 2b7h h HIS 116 CO -0.09 0.43 -0.93 0.45 -0.00 0.00 0.00 177.93 177.79 2b7h h HIS 117 N 0.71 0.50 0.00 5.26 -0.00 -0.20 -3.35 115.15 118.06 2b7h h HIS 117 Ca 0.19 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 2b7h h HIS 117 Cb -0.07 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 2b7h h HIS 117 CO -0.04 1.10 -1.58 1.19 -0.00 0.00 0.00 177.93 178.60 2b7h n PHE 118 N -3.71 0.00 0.00 2.45 3.72 0.07 -5.04 117.46 114.95 2b7h n PHE 118 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2b7h n PHE 118 Cb 0.83 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 2b7h n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b7h n GLY 119 N 1.42 3.68 0.30 1.37 0.00 0.83 -2.14 105.19 110.64 2b7h n GLY 119 Ca -0.01 -0.08 0.18 0.00 0.00 0.00 0.00 46.02 46.11 2b7h n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2b7h h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.96 0.76 116.57 120.62 2b7h h LYS 120 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2b7h h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2b7h h LYS 120 CO 0.00 0.03 -0.33 1.49 -2.27 0.00 0.00 179.45 178.37 2b7h h GLU 121 N 0.00 0.00 -4.44 1.90 4.81 -1.82 -3.28 114.58 111.74 2b7h h GLU 121 Ca -0.00 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.52 2b7h h GLU 121 Cb 0.28 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 2b7h h GLU 121 CO 0.00 0.33 2.76 0.34 -0.73 0.00 0.00 179.01 181.71 2b7h n PHE 122 N -3.80 3.82 -1.29 0.92 7.35 0.26 -4.87 117.46 119.84 2b7h n PHE 122 Ca -0.01 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.43 2b7h n PHE 122 Cb 0.41 -2.52 0.11 0.00 0.35 0.00 0.00 39.48 37.83 2b7h n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2b7h s THR 123 N 3.16 3.05 0.35 -2.13 -4.23 -1.24 -4.67 115.64 109.93 2b7h s THR 123 Ca 0.48 0.34 0.14 0.00 -1.18 0.00 0.00 61.69 61.47 2b7h s THR 123 Cb 0.11 -2.88 0.34 0.00 1.34 0.00 0.00 72.50 71.41 2b7h s THR 123 CO -0.04 -0.45 1.71 -0.65 -0.54 0.00 0.00 174.62 174.66 2b7h h PRO 124 N -1.28 0.43 -0.22 3.99 0.11 -1.93 0.45 132.00 133.54 2b7h h PRO 124 Ca -0.47 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 2b7h h PRO 124 Cb 1.26 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2b7h h PRO 124 CO 0.54 0.28 -0.27 1.96 -0.21 0.00 0.00 178.00 180.30 2b7h h GLN 125 N 0.44 0.58 -0.42 1.05 7.50 -1.97 0.02 115.11 122.30 2b7h h GLN 125 Ca 0.67 -0.32 -0.06 0.00 0.50 0.00 0.00 58.65 59.44 2b7h h GLN 125 Cb 1.50 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 29.03 2b7h h GLN 125 CO -0.48 0.92 0.03 0.28 -1.50 0.00 0.00 178.83 178.09 2b7h h VAL 126 N 0.27 1.25 0.16 -0.54 2.07 -1.62 -2.43 116.25 115.41 2b7h h VAL 126 Ca 0.03 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.59 2b7h h VAL 126 Cb 0.84 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2b7h h VAL 126 CO 0.07 0.33 -0.22 -0.61 0.02 0.00 0.00 177.57 177.16 2b7h h GLN 127 N 0.57 -0.42 -0.82 1.57 4.15 -0.01 -1.32 115.11 118.83 2b7h h GLN 127 Ca 0.12 0.03 0.16 0.00 0.77 0.00 0.00 58.65 59.73 2b7h h GLN 127 Cb 0.44 0.09 -0.10 0.00 0.21 0.00 0.00 27.48 28.12 2b7h h GLN 127 CO 0.02 -0.28 0.36 0.00 -1.93 0.00 0.00 178.83 177.00 2b7h h ALA 128 N 0.32 1.21 -0.42 3.38 0.00 -0.85 0.55 119.26 123.45 2b7h h ALA 128 Ca 0.02 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2b7h h ALA 128 Cb 0.43 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2b7h h ALA 128 CO -0.09 -0.20 0.13 0.00 0.00 0.00 0.00 179.25 179.09 2b7h h ALA 129 N 1.59 0.56 -0.31 0.00 0.00 -1.18 -2.29 119.26 117.63 2b7h h ALA 129 Ca 0.46 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2b7h h ALA 129 Cb 0.73 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2b7h h ALA 129 CO -0.42 0.21 -0.11 1.88 0.00 0.00 0.00 179.25 180.80 2b7h h TYR 130 N 0.54 0.55 -0.48 0.00 0.05 0.11 -1.93 116.97 115.82 2b7h h TYR 130 Ca 0.14 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 2b7h h TYR 130 Cb 0.27 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 2b7h h TYR 130 CO 0.01 0.62 0.16 1.96 -1.05 0.00 0.00 178.16 179.86 2b7h h GLN 131 N 0.48 0.71 -0.39 4.88 1.08 0.26 0.88 115.11 123.01 2b7h h GLN 131 Ca 0.09 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 2b7h h GLN 131 Cb 0.48 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 2b7h h GLN 131 CO 0.03 0.61 0.13 0.87 -0.95 0.00 0.00 178.83 179.51 2b7h h LYS 132 N 0.70 0.61 0.10 1.46 1.57 -0.80 -1.15 116.57 119.05 2b7h h LYS 132 Ca 0.16 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2b7h h LYS 132 Cb 0.19 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2b7h h LYS 132 CO -0.01 0.61 -0.18 0.28 -0.57 0.00 0.00 179.45 179.58 2b7h h VAL 133 N 0.49 0.60 -0.11 0.50 2.07 -0.79 0.14 116.25 119.13 2b7h h VAL 133 Ca 0.13 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.51 2b7h h VAL 133 Cb 0.25 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2b7h h VAL 133 CO -0.00 0.00 -0.54 -0.37 0.02 0.00 0.00 177.57 176.67 2b7h h VAL 134 N -0.34 1.35 -0.61 2.57 -1.51 -0.77 0.15 116.25 117.09 2b7h h VAL 134 Ca 0.03 -1.82 -0.05 0.00 -1.23 0.00 0.00 66.70 63.63 2b7h h VAL 134 Cb 0.36 1.86 -0.03 0.00 -2.13 0.00 0.00 31.29 31.35 2b7h h VAL 134 CO -0.10 0.55 0.20 0.00 -1.23 0.00 0.00 177.57 176.98 2b7h h ALA 135 N 1.18 1.19 -0.28 5.19 0.00 -1.08 0.71 119.26 126.16 2b7h h ALA 135 Ca 0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 2b7h h ALA 135 Cb 1.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2b7h h ALA 135 CO 0.09 0.57 -0.58 0.78 0.00 0.00 0.00 179.25 180.11 2b7h h GLY 136 N 1.01 0.96 0.83 0.00 0.00 0.41 0.37 103.07 106.65 2b7h h GLY 136 Ca 0.20 -1.15 -0.06 0.00 0.00 0.00 0.00 47.33 46.32 2b7h h GLY 136 CO -0.01 1.03 -0.09 -2.08 0.00 0.00 0.00 176.54 175.39 2b7h h VAL 137 N 0.66 1.30 -0.26 4.60 2.07 -0.56 0.11 116.25 124.17 2b7h h VAL 137 Ca 0.01 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 2b7h h VAL 137 Cb 1.19 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 2b7h h VAL 137 CO 0.13 0.35 0.16 0.00 0.02 0.00 0.00 177.57 178.23 2b7h h ALA 138 N 0.72 0.34 -0.57 1.67 0.00 -0.79 0.16 119.26 120.79 2b7h h ALA 138 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2b7h h ALA 138 Cb 0.58 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2b7h h ALA 138 CO 0.03 -0.17 0.34 -0.91 0.00 0.00 0.00 179.25 178.55 2b7h h ASN 139 N 0.33 0.68 0.12 0.00 2.35 -0.12 0.36 115.58 119.30 2b7h h ASN 139 Ca 0.09 -0.04 -0.20 0.00 -0.55 0.00 0.00 56.30 55.61 2b7h h ASN 139 Cb 0.01 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 2b7h h ASN 139 CO -0.02 0.53 -0.74 0.00 -1.65 0.00 0.00 177.43 175.55 2b7h h ALA 140 N 1.59 0.51 -0.01 -0.83 0.00 -0.07 -2.20 119.26 118.25 2b7h h ALA 140 Ca 0.21 -0.60 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 2b7h h ALA 140 Cb -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2b7h h ALA 140 CO -0.04 0.74 -0.40 1.25 0.00 0.00 0.00 179.25 180.80 2b7h h LEU 141 N 0.36 0.01 -0.07 0.00 5.85 -0.25 -2.84 115.31 118.37 2b7h h LEU 141 Ca -0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2b7h h LEU 141 Cb 1.33 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2b7h h LEU 141 CO 0.14 0.41 0.00 0.00 -0.34 0.00 0.00 178.44 178.64 2b7h h ALA 142 N 1.59 1.00 -0.57 1.25 0.00 -0.59 -3.38 119.26 118.56 2b7h h ALA 142 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.05 2b7h h ALA 142 Cb 0.70 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2b7h h ALA 142 CO 0.05 0.00 0.40 1.25 0.00 0.00 0.00 179.25 180.95 2b7h h HIS 143 N 0.00 0.16 -2.15 0.00 6.17 -1.15 -3.34 115.15 114.84 2b7h h HIS 143 Ca 0.00 0.00 -0.58 0.00 0.71 0.00 0.00 60.37 60.50 2b7h h HIS 143 Cb 0.86 -0.05 -0.01 0.00 2.52 0.00 0.00 27.41 30.73 2b7h h HIS 143 CO 0.00 0.07 1.44 0.15 0.71 0.00 0.00 177.93 180.30 2b7h s LYS 144 N -5.15 3.13 0.00 5.26 3.01 -1.26 -5.14 119.74 119.59 2b7h s LYS 144 Ca -0.06 1.83 0.00 0.00 -1.01 0.00 0.00 55.97 56.73 2b7h s LYS 144 Cb 0.20 -4.34 0.00 0.00 -1.01 0.00 0.00 37.83 32.68 2b7h s LYS 144 CO 0.74 -2.10 0.00 0.66 0.51 0.00 0.00 175.35 175.16