#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1myg s LEU 2 N 0.00 4.20 0.88 0.99 1.02 -1.26 -5.10 118.68 119.41 1myg s LEU 2 Ca 0.00 0.22 -0.12 0.00 0.02 0.00 0.00 54.13 54.25 1myg s LEU 2 Cb 0.00 -2.68 0.12 0.00 0.02 0.00 0.00 46.19 43.65 1myg s LEU 2 CO 0.00 0.21 1.12 -0.94 0.02 0.00 0.00 176.35 176.76 1myg s SER 3 N -2.22 3.74 0.42 2.29 1.04 -1.26 -4.84 113.70 112.86 1myg s SER 3 Ca 0.30 1.10 0.10 0.00 0.48 0.00 0.00 55.95 57.93 1myg s SER 3 Cb -0.13 -1.74 0.92 0.00 0.10 0.00 0.00 66.02 65.18 1myg s SER 3 CO 0.22 -2.42 2.01 0.44 0.98 0.00 0.00 173.24 174.47 1myg h ASP 4 N -1.41 0.45 -0.08 7.02 3.32 -1.99 -1.81 116.42 121.92 1myg h ASP 4 Ca -0.50 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.57 1myg h ASP 4 Cb 1.31 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1myg h ASP 4 CO 0.61 0.30 -0.04 1.23 -1.72 0.00 0.00 179.24 179.61 1myg h GLY 5 N 0.51 0.04 0.82 2.75 0.00 -2.00 -2.61 103.07 102.58 1myg h GLY 5 Ca 0.23 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 1myg h GLY 5 CO -0.06 -0.05 0.02 0.83 0.00 0.00 0.00 176.54 177.28 1myg h GLU 6 N -0.03 0.28 -0.96 4.80 5.08 -1.85 -2.69 114.58 119.21 1myg h GLU 6 Ca 0.05 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1myg h GLU 6 Cb 0.10 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 1myg h GLU 6 CO -0.10 0.46 0.63 -1.49 -1.00 0.00 0.00 179.01 177.51 1myg h TRP 7 N 0.07 1.17 0.07 4.33 4.06 -1.25 -1.08 115.95 123.31 1myg h TRP 7 Ca 0.05 0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.05 1myg h TRP 7 Cb 0.32 -0.39 -0.02 0.00 -1.00 0.00 0.00 29.16 28.06 1myg h TRP 7 CO 0.02 0.66 -0.16 0.37 -3.56 0.00 0.00 178.44 175.78 1myg h GLN 8 N 1.19 -0.29 -0.69 0.49 5.75 -1.38 -1.62 115.11 118.57 1myg h GLN 8 Ca 0.39 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.92 1myg h GLN 8 Cb 0.04 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.62 1myg h GLN 8 CO -0.12 -0.19 0.45 -0.07 -2.65 0.00 0.00 178.83 176.25 1myg h LEU 9 N -0.30 0.77 0.05 -2.39 3.38 -0.98 0.46 115.31 116.30 1myg h LEU 9 Ca 0.03 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1myg h LEU 9 Cb 0.32 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1myg h LEU 9 CO -0.10 0.56 -0.21 0.58 0.09 0.00 0.00 178.44 179.36 1myg h VAL 10 N 0.91 0.51 -0.55 1.22 2.07 -1.00 -2.19 116.25 117.22 1myg h VAL 10 Ca 0.25 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.71 1myg h VAL 10 Cb -0.09 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1myg h VAL 10 CO -0.06 0.00 0.09 -0.07 0.02 0.00 0.00 177.57 177.54 1myg h LEU 11 N -0.36 0.83 0.26 2.57 3.38 -1.03 -0.96 115.31 119.99 1myg h LEU 11 Ca 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1myg h LEU 11 Cb 0.42 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1myg h LEU 11 CO -0.16 0.84 -0.12 0.78 0.09 0.00 0.00 178.44 179.87 1myg h ASN 12 N 0.83 -0.29 -0.77 -0.43 -0.26 -0.65 -2.39 115.58 111.61 1myg h ASN 12 Ca 0.17 -0.18 0.08 0.00 -0.56 0.00 0.00 56.30 55.82 1myg h ASN 12 Cb 0.37 0.08 -0.07 0.00 -1.06 0.00 0.00 38.32 37.64 1myg h ASN 12 CO 0.01 0.03 0.43 0.58 -1.06 0.00 0.00 177.43 177.42 1myg h VAL 13 N -0.64 0.92 -0.33 2.81 2.07 -1.29 -2.34 116.25 117.46 1myg h VAL 13 Ca -0.04 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.32 1myg h VAL 13 Cb 0.45 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1myg h VAL 13 CO 0.06 0.14 0.24 -0.25 0.02 0.00 0.00 177.57 177.78 1myg h TRP 14 N 0.74 0.00 -0.72 1.57 2.91 -0.99 -2.17 115.95 117.30 1myg h TRP 14 Ca 0.37 0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.46 1myg h TRP 14 Cb 0.31 0.00 -0.07 0.00 -0.51 0.00 0.00 29.16 28.90 1myg h TRP 14 CO -0.07 0.00 0.38 0.78 -1.03 0.00 0.00 178.44 178.50 1myg h GLY 15 N 0.00 1.07 0.19 2.65 0.00 -0.90 -0.84 103.07 105.24 1myg h GLY 15 Ca 0.16 -0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.27 1myg h GLY 15 CO -0.00 0.11 -0.33 0.50 0.00 0.00 0.00 176.54 176.82 1myg h LYS 16 N 0.67 -0.42 -0.51 4.80 1.79 -1.52 -2.53 116.57 118.86 1myg h LYS 16 Ca 0.34 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.87 1myg h LYS 16 Cb 0.29 0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.00 1myg h LYS 16 CO -0.23 -0.28 0.29 0.28 -1.08 0.00 0.00 179.45 178.43 1myg h VAL 17 N -0.44 1.02 0.00 0.50 2.07 -1.45 -3.09 116.25 114.85 1myg h VAL 17 Ca 0.08 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1myg h VAL 17 Cb 0.56 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1myg h VAL 17 CO -0.33 0.10 0.00 -0.33 0.02 0.00 0.00 177.57 177.04 1myg h GLU 18 N 0.57 0.00 0.00 1.57 5.08 -0.74 -0.57 114.58 120.49 1myg h GLU 18 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1myg h GLU 18 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1myg h GLU 18 CO -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.90 1myg n ALA 19 N -2.01 2.10 -2.76 3.43 0.00 -1.12 -4.22 120.51 115.93 1myg n ALA 19 Ca -0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 1myg n ALA 19 Cb 0.15 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.26 1myg n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1myg n ASP 20 N -1.63 -2.59 -0.03 0.00 2.03 -0.35 -5.06 116.55 108.92 1myg n ASP 20 Ca 0.06 -3.45 -0.12 0.00 0.52 0.00 0.00 54.79 51.80 1myg n ASP 20 Cb 0.30 1.80 -0.06 0.00 -0.72 0.00 0.00 41.12 42.43 1myg n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1myg h VAL 21 N 2.95 1.22 -0.37 5.18 2.07 -1.38 -2.39 116.25 123.52 1myg h VAL 21 Ca -0.12 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1myg h VAL 21 Cb 1.05 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1myg h VAL 21 CO 0.26 0.20 0.03 0.00 0.02 0.00 0.00 177.57 178.08 1myg h ALA 22 N 0.80 1.36 -0.39 1.67 0.00 -1.89 0.16 119.26 120.97 1myg h ALA 22 Ca 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1myg h ALA 22 Cb 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1myg h ALA 22 CO 0.00 0.45 0.17 0.78 0.00 0.00 0.00 179.25 180.65 1myg h GLY 23 N 0.84 0.61 1.14 0.00 0.00 -1.91 0.28 103.07 104.03 1myg h GLY 23 Ca 0.12 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 1myg h GLY 23 CO 0.01 0.30 -0.25 0.45 0.00 0.00 0.00 176.54 177.05 1myg h HIS 24 N 0.49 1.12 -0.11 5.60 3.86 -1.26 -3.01 115.15 121.84 1myg h HIS 24 Ca 0.13 -0.28 0.02 0.00 -1.16 0.00 0.00 60.37 59.08 1myg h HIS 24 Cb 0.15 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1myg h HIS 24 CO -0.01 1.10 0.00 0.78 0.86 0.00 0.00 177.93 180.67 1myg h GLY 25 N 0.87 0.10 0.97 2.45 0.00 -0.60 -1.18 103.07 105.67 1myg h GLY 25 Ca 0.10 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.45 1myg h GLY 25 CO 0.07 -0.02 0.10 -1.61 0.00 0.00 0.00 176.54 175.09 1myg h GLN 26 N 0.04 0.21 -0.48 4.80 4.15 -0.48 -2.68 115.11 120.68 1myg h GLN 26 Ca 0.05 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 1myg h GLN 26 Cb 0.06 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1myg h GLN 26 CO -0.08 0.14 -0.06 0.93 -1.93 0.00 0.00 178.83 177.83 1myg h GLU 27 N 0.22 0.83 -0.25 1.69 5.08 -1.36 -2.11 114.58 118.69 1myg h GLU 27 Ca 0.07 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1myg h GLU 27 Cb -0.01 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1myg h GLU 27 CO -0.03 0.87 0.10 0.28 -1.00 0.00 0.00 179.01 179.24 1myg h VAL 28 N 0.76 0.97 -0.53 3.13 2.07 -1.11 -0.82 116.25 120.72 1myg h VAL 28 Ca 0.14 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 1myg h VAL 28 Cb 0.55 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1myg h VAL 28 CO 0.03 0.04 0.12 -0.07 0.02 0.00 0.00 177.57 177.72 1myg h LEU 29 N 0.23 0.81 -0.15 2.57 3.38 -1.25 -0.83 115.31 120.08 1myg h LEU 29 Ca 0.11 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1myg h LEU 29 Cb 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1myg h LEU 29 CO -0.09 0.84 0.10 0.40 0.09 0.00 0.00 178.44 179.78 1myg h ILE 30 N 0.75 1.05 -0.72 1.22 2.04 -1.26 0.92 117.51 121.50 1myg h ILE 30 Ca 0.17 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1myg h ILE 30 Cb 0.35 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1myg h ILE 30 CO 0.00 0.05 0.46 0.03 0.00 0.00 0.00 178.15 178.69 1myg h ARG 31 N 0.19 0.87 -0.20 2.37 3.08 -0.93 -0.42 114.38 119.35 1myg h ARG 31 Ca 0.05 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1myg h ARG 31 Cb -0.01 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1myg h ARG 31 CO -0.01 0.58 0.12 1.25 -1.07 0.00 0.00 179.97 180.84 1myg h LEU 32 N 0.90 0.24 -0.23 3.04 5.85 -0.73 -1.02 115.31 123.36 1myg h LEU 32 Ca 0.28 -0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.78 1myg h LEU 32 Cb -0.01 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1myg h LEU 32 CO -0.10 0.21 -0.56 -0.26 -0.34 0.00 0.00 178.44 177.39 1myg h PHE 33 N 0.25 1.01 -0.27 1.25 0.04 -0.65 0.22 116.94 118.79 1myg h PHE 33 Ca 0.07 -0.38 -0.11 0.00 2.80 0.00 0.00 57.97 60.35 1myg h PHE 33 Cb 0.01 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 37.97 1myg h PHE 33 CO -0.05 1.20 -0.24 0.87 -0.60 0.00 0.00 178.31 179.48 1myg h LYS 34 N 0.53 0.64 -0.09 1.51 1.79 -1.11 -3.01 116.57 116.83 1myg h LYS 34 Ca -0.00 -0.33 -0.21 0.00 -2.18 0.00 0.00 60.65 57.92 1myg h LYS 34 Cb 1.17 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1myg h LYS 34 CO 0.12 0.93 -0.81 0.78 -1.08 0.00 0.00 179.45 179.39 1myg h GLY 35 N 0.37 0.66 -6.01 3.86 0.00 -1.09 -3.41 103.07 97.45 1myg h GLY 35 Ca 0.05 -0.98 -0.48 0.00 0.00 0.00 0.00 47.33 45.92 1myg h GLY 35 CO 0.06 0.87 -0.85 1.42 0.00 0.00 0.00 176.54 178.04 1myg n HIS 36 N -3.87 -1.70 -0.23 5.60 8.25 0.76 -5.01 115.22 119.02 1myg n HIS 36 Ca -0.07 -2.80 0.28 0.00 -0.26 0.00 0.00 57.72 54.88 1myg n HIS 36 Cb 0.76 0.58 0.68 0.00 1.12 0.00 0.00 29.99 33.14 1myg n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1myg h PRO 37 N 5.46 0.08 0.00 -0.41 0.11 -1.72 -1.40 132.00 134.13 1myg h PRO 37 Ca 0.21 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 1myg h PRO 37 Cb 0.96 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1myg h PRO 37 CO 0.28 0.06 -0.03 1.05 -0.21 0.00 0.00 178.00 179.15 1myg h GLU 38 N 0.09 0.00 -0.07 1.05 9.09 -1.92 -0.50 114.58 122.32 1myg h GLU 38 Ca 0.48 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.82 1myg h GLU 38 Cb 1.75 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.84 1myg h GLU 38 CO -0.06 0.03 -0.29 1.79 0.05 0.00 0.00 179.01 180.53 1myg h THR 39 N 0.00 1.24 -0.04 -1.06 1.35 -1.59 -2.91 112.91 109.90 1myg h THR 39 Ca -0.00 -1.12 -0.04 0.00 -0.55 0.00 0.00 66.41 64.70 1myg h THR 39 Cb 0.06 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 1myg h THR 39 CO 0.00 0.33 -0.17 0.25 -0.25 0.00 0.00 175.52 175.68 1myg h LEU 40 N 0.11 0.05 -2.05 3.87 5.85 -1.22 -2.41 115.31 119.51 1myg h LEU 40 Ca 0.02 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.84 1myg h LEU 40 Cb 0.58 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1myg h LEU 40 CO 0.04 0.23 0.35 -0.33 -0.34 0.00 0.00 178.44 178.39 1myg h GLU 41 N 0.06 0.00 0.00 1.25 4.39 -1.63 -1.53 114.58 117.12 1myg h GLU 41 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1myg h GLU 41 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1myg h GLU 41 CO 0.02 0.00 0.00 -0.22 -1.16 0.00 0.00 179.01 177.65 1myg h LYS 42 N 0.00 0.00 -4.65 2.33 1.63 -1.58 -3.41 116.57 110.90 1myg h LYS 42 Ca 0.19 0.00 -0.69 0.00 -0.85 0.00 0.00 60.65 59.30 1myg h LYS 42 Cb 0.88 0.00 -0.33 0.00 -0.60 0.00 0.00 32.23 32.17 1myg h LYS 42 CO -0.00 0.00 -0.64 -0.06 -3.45 0.00 0.00 179.45 175.30 1myg s PHE 43 N -3.67 3.41 0.10 1.91 0.40 -0.58 -4.99 117.98 114.57 1myg s PHE 43 Ca 0.01 -2.10 -0.26 0.00 -0.60 0.00 0.00 56.93 53.98 1myg s PHE 43 Cb 0.09 -2.60 -0.11 0.00 0.51 0.00 0.00 43.02 40.92 1myg s PHE 43 CO 0.52 -0.87 1.67 -0.44 0.70 0.00 0.00 175.22 176.80 1myg h ASP 44 N 8.02 -0.46 -0.19 1.36 3.32 -1.84 0.09 116.42 126.72 1myg h ASP 44 Ca -0.17 0.05 0.05 0.00 0.02 0.00 0.00 57.03 56.98 1myg h ASP 44 Cb 1.06 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1myg h ASP 44 CO 0.60 -0.25 0.66 0.50 -1.72 0.00 0.00 179.24 179.02 1myg h LYS 45 N -0.36 0.00 0.00 3.56 3.64 -1.96 -1.76 116.57 119.70 1myg h LYS 45 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1myg h LYS 45 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1myg h LYS 45 CO -0.07 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.30 1myg n PHE 46 N -2.95 0.00 0.30 1.91 3.72 -0.59 -4.77 117.46 115.08 1myg n PHE 46 Ca 0.03 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.60 1myg n PHE 46 Cb 0.74 0.00 0.78 0.00 -0.94 0.00 0.00 39.48 40.06 1myg n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1myg h LYS 47 N 0.00 0.00 0.00 -1.08 2.10 -0.07 -0.15 116.57 117.37 1myg h LYS 47 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1myg h LYS 47 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1myg h LYS 47 CO 0.00 0.00 0.00 -2.39 -2.00 0.00 0.00 179.45 175.06 1myg n HIS 48 N -2.76 0.38 -2.54 0.07 1.44 -1.26 -4.72 115.22 105.83 1myg n HIS 48 Ca -0.00 0.13 -0.42 0.00 -2.01 0.00 0.00 57.72 55.41 1myg n HIS 48 Cb 0.18 -0.71 -0.03 0.00 0.12 0.00 0.00 29.99 29.55 1myg n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1myg s LEU 49 N -3.66 4.29 0.00 2.39 1.43 -0.07 -4.87 118.68 118.19 1myg s LEU 49 Ca 0.08 1.75 0.17 0.00 -1.03 0.00 0.00 54.13 55.11 1myg s LEU 49 Cb 0.12 -3.56 0.15 0.00 0.03 0.00 0.00 46.19 42.93 1myg s LEU 49 CO 0.42 -0.50 1.06 0.29 0.23 0.00 0.00 176.35 177.84 1myg n LYS 50 N 4.87 1.45 -3.60 1.70 4.76 -1.26 -4.99 118.16 121.08 1myg n LYS 50 Ca 0.10 -1.56 -0.06 0.00 -2.87 0.00 0.00 58.31 53.92 1myg n LYS 50 Cb 0.47 -1.34 -0.02 0.00 -1.84 0.00 0.00 35.03 32.31 1myg n LYS 50 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1myg s SER 51 N -1.44 -0.27 0.23 4.39 1.04 -1.26 -4.98 113.70 111.41 1myg s SER 51 Ca 0.21 -0.15 -0.07 0.00 0.48 0.00 0.00 55.95 56.42 1myg s SER 51 Cb 0.15 0.39 0.31 0.00 0.10 0.00 0.00 66.02 66.97 1myg s SER 51 CO 0.22 -0.68 1.82 -0.08 0.98 0.00 0.00 173.24 175.50 1myg h GLU 52 N 2.00 0.79 -0.47 4.02 4.81 -1.98 0.12 114.58 123.87 1myg h GLU 52 Ca -0.23 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.02 1myg h GLU 52 Cb 1.23 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 1myg h GLU 52 CO 0.28 0.52 0.17 0.22 -0.73 0.00 0.00 179.01 179.48 1myg h ASP 53 N 0.82 0.19 -0.46 1.04 3.58 -1.99 0.88 116.42 120.48 1myg h ASP 53 Ca 0.35 0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.73 1myg h ASP 53 Cb 0.22 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1myg h ASP 53 CO -0.19 0.14 -0.19 -0.33 -2.88 0.00 0.00 179.24 175.78 1myg h GLU 54 N 0.35 0.97 -0.71 0.28 5.08 -1.54 -2.44 114.58 116.56 1myg h GLU 54 Ca 0.22 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1myg h GLU 54 Cb 0.22 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1myg h GLU 54 CO -0.22 1.07 0.28 0.52 -1.00 0.00 0.00 179.01 179.66 1myg h MET 55 N 0.84 1.07 -0.59 2.33 2.86 -0.37 -2.74 114.93 118.32 1myg h MET 55 Ca 0.11 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1myg h MET 55 Cb 0.76 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1myg h MET 55 CO 0.06 0.88 0.29 0.87 1.06 0.00 0.00 176.91 180.07 1myg h LYS 56 N 1.02 0.83 0.00 1.72 1.57 -0.76 -2.93 116.57 118.02 1myg h LYS 56 Ca 0.24 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1myg h LYS 56 Cb 0.21 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1myg h LYS 56 CO -0.02 0.64 -0.04 0.00 -0.57 0.00 0.00 179.45 179.46 1myg h ALA 57 N 1.49 0.98 -2.09 3.86 0.00 -1.20 -3.46 119.26 118.84 1myg h ALA 57 Ca 0.21 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.56 1myg h ALA 57 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1myg h ALA 57 CO -0.03 0.00 1.21 0.45 0.00 0.00 0.00 179.25 180.88 1myg s SER 58 N -6.17 6.23 0.14 0.00 0.15 -1.06 -4.87 113.70 108.12 1myg s SER 58 Ca 0.07 1.89 -0.12 0.00 0.70 0.00 0.00 55.95 58.49 1myg s SER 58 Cb 0.05 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 1myg s SER 58 CO 0.67 -1.34 1.50 -0.08 1.20 0.00 0.00 173.24 175.19 1myg h GLU 59 N 11.46 0.91 -0.21 5.44 4.81 -1.88 -2.96 114.58 132.15 1myg h GLU 59 Ca -0.38 -0.43 -0.10 0.00 -0.13 0.00 0.00 59.36 58.32 1myg h GLU 59 Cb 1.19 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1myg h GLU 59 CO 0.98 1.08 -0.31 -0.44 -0.73 0.00 0.00 179.01 179.60 1myg h ASP 60 N 0.73 0.42 -0.44 1.04 3.32 -1.97 -1.87 116.42 117.66 1myg h ASP 60 Ca 0.08 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 1myg h ASP 60 Cb 0.85 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1myg h ASP 60 CO 0.08 0.72 -0.09 0.25 -1.72 0.00 0.00 179.24 178.48 1myg h LEU 61 N 0.36 0.83 0.01 1.55 6.46 -1.88 -0.22 115.31 122.43 1myg h LEU 61 Ca 0.05 -0.35 0.01 0.00 -0.12 0.00 0.00 57.88 57.46 1myg h LEU 61 Cb 0.73 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1myg h LEU 61 CO 0.06 0.99 -0.05 0.50 -0.62 0.00 0.00 178.44 179.31 1myg h LYS 62 N 0.66 -0.10 -0.30 1.25 3.64 -1.30 -0.33 116.57 120.09 1myg h LYS 62 Ca 0.11 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1myg h LYS 62 Cb 0.62 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1myg h LYS 62 CO 0.04 -0.07 0.17 -0.22 -2.27 0.00 0.00 179.45 177.11 1myg h LYS 63 N -0.10 0.35 -0.28 1.90 3.64 -1.26 -1.84 116.57 118.98 1myg h LYS 63 Ca 0.02 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1myg h LYS 63 Cb 0.12 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1myg h LYS 63 CO -0.05 0.23 -0.42 1.25 -2.27 0.00 0.00 179.45 178.19 1myg h HIS 64 N 0.36 0.81 -0.80 1.91 2.76 -0.70 -2.48 115.15 117.00 1myg h HIS 64 Ca 0.12 -0.24 0.08 0.00 -2.20 0.00 0.00 60.37 58.12 1myg h HIS 64 Cb 0.00 -0.17 -0.07 0.00 1.55 0.00 0.00 27.41 28.73 1myg h HIS 64 CO -0.08 0.98 0.47 0.78 -1.30 0.00 0.00 177.93 178.78 1myg h GLY 65 N 0.97 1.23 0.71 5.26 0.00 -0.70 -1.33 103.07 109.20 1myg h GLY 65 Ca 0.04 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.09 1myg h GLY 65 CO 0.09 0.17 0.17 -0.57 0.00 0.00 0.00 176.54 176.40 1myg h ASN 66 N 0.82 0.22 -0.10 0.19 -0.73 -1.08 -2.21 115.58 112.69 1myg h ASN 66 Ca 0.37 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.58 1myg h ASN 66 Cb 0.28 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 1myg h ASN 66 CO -0.22 0.17 0.06 0.74 -0.37 0.00 0.00 177.43 177.81 1myg h THR 67 N 0.36 1.02 0.16 -3.57 2.02 -0.86 -0.55 112.91 111.50 1myg h THR 67 Ca 0.19 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1myg h THR 67 Cb 0.14 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1myg h THR 67 CO -0.16 0.02 -0.08 0.58 0.37 0.00 0.00 175.52 176.25 1myg h VAL 68 N 0.13 0.86 0.00 3.16 2.07 -1.05 -2.04 116.25 119.39 1myg h VAL 68 Ca 0.04 -0.10 -0.16 0.00 0.82 0.00 0.00 66.70 67.30 1myg h VAL 68 Cb -0.01 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1myg h VAL 68 CO -0.01 0.02 -0.74 -0.07 0.02 0.00 0.00 177.57 176.79 1myg h LEU 69 N -0.27 0.00 -0.24 2.57 3.38 -1.32 -2.17 115.31 117.26 1myg h LEU 69 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1myg h LEU 69 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1myg h LEU 69 CO 0.04 0.74 0.08 0.74 0.09 0.00 0.00 178.44 180.12 1myg h THR 70 N 0.00 1.19 -0.14 0.22 2.02 -1.03 0.27 112.91 115.44 1myg h THR 70 Ca -0.01 -0.61 0.01 0.00 0.77 0.00 0.00 66.41 66.57 1myg h THR 70 Cb 1.37 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1myg h THR 70 CO 0.10 0.20 0.06 0.00 0.37 0.00 0.00 175.52 176.25 1myg h ALA 71 N 0.91 0.16 -0.27 6.16 0.00 -1.30 -2.02 119.26 122.90 1myg h ALA 71 Ca 0.08 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1myg h ALA 71 Cb 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1myg h ALA 71 CO -0.00 -0.38 -0.49 1.25 0.00 0.00 0.00 179.25 179.62 1myg h LEU 72 N 0.14 0.82 -1.22 0.00 5.85 -1.32 -2.64 115.31 116.94 1myg h LEU 72 Ca 0.06 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 1myg h LEU 72 Cb 0.02 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1myg h LEU 72 CO -0.05 1.17 0.17 1.23 -0.34 0.00 0.00 178.44 180.62 1myg h GLY 73 N 0.88 0.76 0.88 3.75 0.00 -0.75 -1.95 103.07 106.64 1myg h GLY 73 Ca 0.03 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 46.99 1myg h GLY 73 CO 0.10 0.37 0.29 -1.33 0.00 0.00 0.00 176.54 175.97 1myg h GLY 74 N 0.87 0.69 0.86 4.60 0.00 -1.07 -0.73 103.07 108.29 1myg h GLY 74 Ca 0.17 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1myg h GLY 74 CO -0.01 0.18 0.04 -2.22 0.00 0.00 0.00 176.54 174.53 1myg h ILE 75 N 0.58 1.23 -0.40 2.60 2.04 -1.04 -3.13 117.51 119.38 1myg h ILE 75 Ca 0.20 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 65.20 1myg h ILE 75 Cb 0.02 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1myg h ILE 75 CO -0.09 0.25 -0.07 -0.07 0.00 0.00 0.00 178.15 178.16 1myg h LEU 76 N 0.23 0.66 -1.72 1.44 3.38 -1.26 -2.31 115.31 115.74 1myg h LEU 76 Ca 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1myg h LEU 76 Cb 0.33 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1myg h LEU 76 CO 0.01 0.78 -0.11 0.11 0.09 0.00 0.00 178.44 179.32 1myg h LYS 77 N 0.63 0.00 0.00 1.13 1.57 -1.08 -1.73 116.57 117.10 1myg h LYS 77 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1myg h LYS 77 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1myg h LYS 77 CO 0.03 0.11 0.00 1.63 -0.57 0.00 0.00 179.45 180.65 1myg n LYS 78 N -3.39 0.46 -3.86 3.15 4.76 -0.87 -4.94 118.16 113.48 1myg n LYS 78 Ca -0.01 0.03 -0.26 0.00 -2.87 0.00 0.00 58.31 55.20 1myg n LYS 78 Cb 0.29 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1myg n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1myg n LYS 79 N -1.24 -3.11 0.00 1.97 5.02 -0.65 0.12 118.16 120.28 1myg n LYS 79 Ca 0.14 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1myg n LYS 79 Cb 0.19 -4.53 0.00 0.00 -0.02 0.00 0.00 35.03 30.67 1myg n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1myg n GLY 80 N -1.86 3.21 2.68 0.72 0.00 -1.26 -4.88 105.19 103.80 1myg n GLY 80 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1myg n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1myg n HIS 81 N -1.92 2.65 -0.26 1.61 8.25 0.33 -4.66 115.22 121.21 1myg n HIS 81 Ca 0.00 -2.72 0.07 0.00 -0.26 0.00 0.00 57.72 54.81 1myg n HIS 81 Cb 0.00 -1.64 0.18 0.00 1.12 0.00 0.00 29.99 29.66 1myg n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1myg n HIS 82 N 1.77 0.58 -0.33 4.41 1.44 -1.26 -4.76 115.22 117.07 1myg n HIS 82 Ca 0.48 -0.53 0.17 0.00 -2.01 0.00 0.00 57.72 55.83 1myg n HIS 82 Cb 0.29 -0.05 0.40 0.00 0.12 0.00 0.00 29.99 30.75 1myg n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1myg h GLU 83 N 2.31 0.58 -0.05 -1.40 3.07 -1.99 -1.29 114.58 115.82 1myg h GLU 83 Ca 0.00 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1myg h GLU 83 Cb 0.82 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 1myg h GLU 83 CO 0.02 0.39 -0.01 0.00 -1.40 0.00 0.00 179.01 178.01 1myg h ALA 84 N 1.65 0.03 -0.75 3.43 0.00 -2.00 -2.03 119.26 119.59 1myg h ALA 84 Ca 0.58 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.49 1myg h ALA 84 Cb 1.13 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1myg h ALA 84 CO -0.35 -0.49 0.40 0.93 0.00 0.00 0.00 179.25 179.74 1myg h GLU 85 N 0.00 1.05 0.00 0.00 3.07 -1.83 -3.29 114.58 113.58 1myg h GLU 85 Ca 0.02 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.36 58.67 1myg h GLU 85 Cb 0.03 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 1myg h GLU 85 CO -0.04 0.79 -0.51 1.25 -1.40 0.00 0.00 179.01 179.10 1myg h LEU 86 N 1.04 0.00 0.11 1.33 6.46 -0.88 -3.35 115.31 120.02 1myg h LEU 86 Ca 0.26 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1myg h LEU 86 Cb 0.06 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1myg h LEU 86 CO -0.04 0.39 -0.06 0.74 -0.62 0.00 0.00 178.44 178.85 1myg h THR 87 N 0.00 0.87 -0.64 1.05 2.02 -1.44 -0.71 112.91 114.07 1myg h THR 87 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1myg h THR 87 Cb 1.31 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 1myg h THR 87 CO 0.05 0.00 0.40 -0.65 0.37 0.00 0.00 175.52 175.69 1myg h PRO 88 N -0.16 0.84 -0.58 6.66 0.11 -1.73 -1.27 132.00 135.86 1myg h PRO 88 Ca -0.01 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 1myg h PRO 88 Cb 0.13 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 1myg h PRO 88 CO 0.02 0.57 0.24 1.25 -0.21 0.00 0.00 178.00 179.87 1myg h LEU 89 N 0.87 0.80 -0.32 2.35 7.12 -1.59 -2.09 115.31 122.44 1myg h LEU 89 Ca 0.23 -0.16 -0.09 0.00 0.13 0.00 0.00 57.88 57.99 1myg h LEU 89 Cb -0.07 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 39.84 1myg h LEU 89 CO -0.05 0.75 -0.14 0.00 -0.13 0.00 0.00 178.44 178.86 1myg h ALA 90 N 1.09 0.45 0.00 1.25 0.00 -1.05 -0.42 119.26 120.58 1myg h ALA 90 Ca 0.20 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1myg h ALA 90 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1myg h ALA 90 CO -0.02 0.35 -0.11 0.37 0.00 0.00 0.00 179.25 179.84 1myg h GLN 91 N 0.43 -0.18 -0.27 0.00 4.15 -1.14 -0.14 115.11 117.97 1myg h GLN 91 Ca 0.07 0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.33 1myg h GLN 91 Cb 0.67 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.40 1myg h GLN 91 CO 0.04 -0.12 -0.52 0.66 -1.93 0.00 0.00 178.83 176.97 1myg h SER 92 N -0.19 0.91 0.45 -0.69 4.64 -1.30 0.02 113.55 117.40 1myg h SER 92 Ca 0.04 -0.54 -0.13 0.00 -0.47 0.00 0.00 61.79 60.69 1myg h SER 92 Cb 0.24 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1myg h SER 92 CO -0.11 1.28 -0.58 0.45 -0.87 0.00 0.00 176.83 177.00 1myg h HIS 93 N 0.58 0.17 0.23 4.77 3.86 -0.94 0.52 115.15 124.35 1myg h HIS 93 Ca 0.01 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1myg h HIS 93 Cb 1.13 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.57 1myg h HIS 93 CO 0.08 0.68 -0.11 0.00 0.86 0.00 0.00 177.93 179.43 1myg h ALA 94 N 1.31 -0.45 0.15 2.45 0.00 -1.09 1.12 119.26 122.75 1myg h ALA 94 Ca -0.00 -0.07 -0.35 0.00 0.00 0.00 0.00 54.91 54.49 1myg h ALA 94 Cb 1.05 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1myg h ALA 94 CO 0.08 -0.43 -1.81 1.79 0.00 0.00 0.00 179.25 178.88 1myg h THR 95 N -0.71 0.85 0.00 0.00 1.35 -1.01 -3.31 112.91 110.07 1myg h THR 95 Ca -0.03 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 1myg h THR 95 Cb 0.24 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 1myg h THR 95 CO 0.05 0.85 -0.17 0.50 -0.25 0.00 0.00 175.52 176.50 1myg h LYS 96 N 0.09 0.00 0.00 4.72 3.11 -0.29 -3.43 116.57 120.77 1myg h LYS 96 Ca -0.36 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.46 1myg h LYS 96 Cb 2.07 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 33.29 1myg h LYS 96 CO 0.14 0.00 -0.08 0.45 -2.81 0.00 0.00 179.45 177.15 1myg h HIS 97 N -0.52 0.00 -5.86 1.91 -0.00 -0.53 -3.49 115.15 106.66 1myg h HIS 97 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 60.37 60.16 1myg h HIS 97 Cb 0.17 0.00 0.03 0.00 -0.00 0.00 0.00 27.41 27.61 1myg h HIS 97 CO -0.07 0.08 -0.50 1.63 -0.00 0.00 0.00 177.93 179.07 1myg n LYS 98 N -3.13 -1.44 -3.59 2.45 4.76 -0.59 -4.99 118.16 111.63 1myg n LYS 98 Ca 0.03 1.10 -0.39 0.00 -2.87 0.00 0.00 58.31 56.18 1myg n LYS 98 Cb 0.53 -4.63 -0.11 0.00 -1.84 0.00 0.00 35.03 28.98 1myg n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1myg s ILE 99 N -3.10 5.14 0.72 -0.18 -1.09 0.38 -4.98 121.20 118.08 1myg s ILE 99 Ca 0.11 -0.08 -0.16 0.00 -2.23 0.00 0.00 60.65 58.29 1myg s ILE 99 Cb -0.03 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.32 1myg s ILE 99 CO 0.80 0.13 1.06 -0.81 -1.23 0.00 0.00 174.94 174.89 1myg n PRO 100 N 5.06 0.57 0.25 2.79 -0.04 -1.26 -4.75 135.00 137.62 1myg n PRO 100 Ca -0.14 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 1myg n PRO 100 Cb 0.51 -2.31 0.62 0.00 -0.04 0.00 0.00 33.50 32.28 1myg n PRO 100 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1myg h VAL 101 N -0.21 0.38 -0.71 0.52 -1.51 -1.97 -1.56 116.25 111.20 1myg h VAL 101 Ca -0.48 -0.77 0.14 0.00 -1.23 0.00 0.00 66.70 64.36 1myg h VAL 101 Cb 1.33 1.57 -0.04 0.00 -2.13 0.00 0.00 31.29 32.01 1myg h VAL 101 CO 0.48 0.13 0.48 0.07 -1.23 0.00 0.00 177.57 177.49 1myg h LYS 102 N 0.00 0.37 -0.05 5.19 2.10 -2.00 0.20 116.57 122.38 1myg h LYS 102 Ca -0.00 -0.02 -0.13 0.00 -2.00 0.00 0.00 60.65 58.49 1myg h LYS 102 Cb 0.56 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 1myg h LYS 102 CO 0.02 0.25 -0.57 1.88 -2.00 0.00 0.00 179.45 179.02 1myg h TYR 103 N 0.38 0.20 -0.37 0.07 0.05 -1.63 -1.66 116.97 114.02 1myg h TYR 103 Ca 0.34 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.97 1myg h TYR 103 Cb 0.80 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.49 1myg h TYR 103 CO -0.00 0.69 -0.11 -0.07 -1.05 0.00 0.00 178.16 177.62 1myg h LEU 104 N 0.12 0.64 -0.93 3.88 3.38 -0.62 -1.91 115.31 119.86 1myg h LEU 104 Ca -0.00 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1myg h LEU 104 Cb 1.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1myg h LEU 104 CO 0.08 0.78 -0.39 -0.33 0.09 0.00 0.00 178.44 178.68 1myg h GLU 105 N 0.59 0.29 -0.50 1.13 5.08 -0.80 -0.92 114.58 119.46 1myg h GLU 105 Ca 0.11 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1myg h GLU 105 Cb 0.54 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1myg h GLU 105 CO 0.03 0.64 0.24 0.74 -1.00 0.00 0.00 179.01 179.66 1myg h PHE 106 N 0.25 0.71 -0.08 4.33 0.04 -0.88 -1.61 116.94 119.70 1myg h PHE 106 Ca 0.03 -0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 1myg h PHE 106 Cb 0.79 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1myg h PHE 106 CO 0.02 0.56 -0.56 0.97 -0.60 0.00 0.00 178.31 178.70 1myg h ILE 107 N 0.66 1.37 -0.55 -0.55 2.10 -1.22 -1.51 117.51 117.81 1myg h ILE 107 Ca 0.17 -1.88 0.03 0.00 1.08 0.00 0.00 64.86 64.26 1myg h ILE 107 Cb 0.12 1.93 -0.04 0.00 -1.09 0.00 0.00 36.82 37.74 1myg h ILE 107 CO -0.02 0.56 0.32 0.28 -1.08 0.00 0.00 178.15 178.21 1myg h SER 108 N 0.18 0.52 -0.53 2.19 0.02 -0.89 -1.95 113.55 113.10 1myg h SER 108 Ca -0.00 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1myg h SER 108 Cb 1.04 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 1myg h SER 108 CO 0.09 0.36 0.07 -0.08 -1.14 0.00 0.00 176.83 176.13 1myg h GLU 109 N 0.64 0.88 -0.81 3.45 4.81 -0.90 -1.93 114.58 120.72 1myg h GLU 109 Ca 0.22 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1myg h GLU 109 Cb 0.04 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1myg h GLU 109 CO -0.11 0.87 0.52 0.00 -0.73 0.00 0.00 179.01 179.57 1myg h ALA 110 N 0.97 1.39 0.00 2.92 0.00 -1.02 -0.82 119.26 122.71 1myg h ALA 110 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1myg h ALA 110 Cb 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1myg h ALA 110 CO 0.01 0.55 -0.00 0.82 0.00 0.00 0.00 179.25 180.63 1myg h ILE 111 N 1.11 1.01 -0.45 0.00 2.04 -1.08 -0.51 117.51 119.63 1myg h ILE 111 Ca 0.30 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 66.10 1myg h ILE 111 Cb -0.10 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1myg h ILE 111 CO -0.06 0.01 0.17 0.40 0.00 0.00 0.00 178.15 178.66 1myg h ILE 112 N -0.01 1.21 -0.71 -0.67 2.04 -1.06 -0.83 117.51 117.47 1myg h ILE 112 Ca -0.00 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.27 1myg h ILE 112 Cb 0.01 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 1myg h ILE 112 CO 0.00 0.24 0.40 1.56 0.00 0.00 0.00 178.15 180.35 1myg h GLN 113 N 0.58 0.71 -0.52 2.37 4.20 -0.97 -0.87 115.11 120.62 1myg h GLN 113 Ca 0.15 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1myg h GLN 113 Cb 0.21 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1myg h GLN 113 CO -0.01 0.47 0.12 0.28 -0.67 0.00 0.00 178.83 179.01 1myg h VAL 114 N 0.73 1.25 -0.56 -0.54 2.07 -0.81 -0.42 116.25 117.96 1myg h VAL 114 Ca 0.32 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1myg h VAL 114 Cb 0.22 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1myg h VAL 114 CO -0.19 0.32 0.25 -0.07 0.02 0.00 0.00 177.57 177.89 1myg h LEU 115 N 0.73 0.76 -0.69 2.57 3.38 -0.67 0.24 115.31 121.63 1myg h LEU 115 Ca 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1myg h LEU 115 Cb 0.35 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1myg h LEU 115 CO 0.00 0.70 0.41 -0.61 0.09 0.00 0.00 178.44 179.03 1myg h GLN 116 N 0.77 0.94 -0.16 1.13 5.75 -1.10 0.27 115.11 122.71 1myg h GLN 116 Ca 0.19 -0.09 -0.07 0.00 -0.15 0.00 0.00 58.65 58.54 1myg h GLN 116 Cb 0.16 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.51 1myg h GLN 116 CO -0.02 0.67 -0.15 0.77 -2.65 0.00 0.00 178.83 177.45 1myg h SER 117 N 0.94 0.42 1.04 -0.69 0.02 -0.81 -3.14 113.55 111.32 1myg h SER 117 Ca 0.25 -0.47 -0.12 0.00 -0.84 0.00 0.00 61.79 60.60 1myg h SER 117 Cb -0.02 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1myg h SER 117 CO -0.04 0.80 -1.02 0.11 -1.14 0.00 0.00 176.83 175.54 1myg h LYS 118 N 0.04 0.00 -1.80 3.45 1.57 -0.46 -3.41 116.57 115.96 1myg h LYS 118 Ca 0.03 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.33 1myg h LYS 118 Cb 0.68 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.59 1myg h LYS 118 CO 0.04 0.32 -1.10 0.72 -0.57 0.00 0.00 179.45 178.86 1myg n HIS 119 N -2.98 1.09 -0.34 -1.35 8.25 0.95 -4.95 115.22 115.89 1myg n HIS 119 Ca -0.04 -3.59 0.04 0.00 -0.26 0.00 0.00 57.72 53.88 1myg n HIS 119 Cb 0.76 -0.40 0.22 0.00 1.12 0.00 0.00 29.99 31.69 1myg n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1myg h PRO 120 N 2.98 1.04 -0.07 -0.41 0.13 -1.68 0.89 132.00 134.87 1myg h PRO 120 Ca 0.07 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 1myg h PRO 120 Cb 0.95 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1myg h PRO 120 CO 0.56 0.69 -0.34 0.78 -0.23 0.00 0.00 178.00 179.46 1myg h GLY 121 N 1.07 0.15 0.32 1.56 0.00 -1.92 -2.46 103.07 101.79 1myg h GLY 121 Ca 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1myg h GLY 121 CO -0.18 0.11 -1.08 1.22 0.00 0.00 0.00 176.54 176.60 1myg n ASP 122 N -4.10 0.67 -3.42 0.19 8.00 -0.46 -4.48 116.55 112.96 1myg n ASP 122 Ca -0.01 -0.50 -0.40 0.00 0.71 0.00 0.00 54.79 54.59 1myg n ASP 122 Cb 0.41 0.97 0.02 0.00 -0.02 0.00 0.00 41.12 42.51 1myg n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1myg n PHE 123 N -1.76 2.90 -0.28 1.24 7.35 0.18 -4.82 117.46 122.26 1myg n PHE 123 Ca 0.02 -2.59 0.00 0.00 -0.76 0.00 0.00 57.45 54.12 1myg n PHE 123 Cb 0.40 -1.14 0.00 0.00 0.35 0.00 0.00 39.48 39.09 1myg n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1myg n GLY 124 N -0.19 -1.47 0.19 7.13 0.00 -1.25 -4.58 105.19 105.02 1myg n GLY 124 Ca 0.48 -1.55 -0.06 0.00 0.00 0.00 0.00 46.02 44.89 1myg n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1myg h ALA 125 N -2.00 0.55 0.31 4.61 0.00 -1.95 -0.68 119.26 120.10 1myg h ALA 125 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1myg h ALA 125 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1myg h ALA 125 CO 0.00 -0.11 -0.20 -0.44 0.00 0.00 0.00 179.25 178.50 1myg h ASP 126 N 0.47 -0.51 -0.47 0.00 3.32 -1.97 -1.34 116.42 115.92 1myg h ASP 126 Ca 0.19 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.30 1myg h ASP 126 Cb 0.07 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1myg h ASP 126 CO -0.12 -0.32 0.24 0.00 -1.72 0.00 0.00 179.24 177.33 1myg h ALA 127 N 0.16 0.59 -0.22 3.45 0.00 -1.87 -0.91 119.26 120.47 1myg h ALA 127 Ca -0.03 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1myg h ALA 127 Cb 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1myg h ALA 127 CO 0.02 -0.10 0.08 1.96 0.00 0.00 0.00 179.25 181.21 1myg h GLN 128 N 0.48 0.17 -0.51 0.00 4.20 -1.04 -1.23 115.11 117.19 1myg h GLN 128 Ca 0.20 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.84 1myg h GLN 128 Cb 0.09 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1myg h GLN 128 CO -0.13 0.11 0.11 0.78 -0.67 0.00 0.00 178.83 179.04 1myg h GLY 129 N 0.18 0.89 0.89 3.46 0.00 -0.87 0.13 103.07 107.75 1myg h GLY 129 Ca 0.09 -0.57 0.01 0.00 0.00 0.00 0.00 47.33 46.86 1myg h GLY 129 CO -0.10 0.53 -0.03 0.00 0.00 0.00 0.00 176.54 176.95 1myg h ALA 130 N 0.99 -0.00 -0.78 3.60 0.00 -1.05 -1.86 119.26 120.16 1myg h ALA 130 Ca 0.16 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1myg h ALA 130 Cb 0.36 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1myg h ALA 130 CO 0.00 -0.51 0.35 1.98 0.00 0.00 0.00 179.25 181.07 1myg h MET 131 N -0.04 1.15 -0.82 0.00 -1.53 -1.08 -1.03 114.93 111.58 1myg h MET 131 Ca 0.02 -0.19 0.01 0.00 -3.44 0.00 0.00 59.70 56.10 1myg h MET 131 Cb 0.07 -0.20 -0.04 0.00 -0.55 0.00 0.00 31.60 30.88 1myg h MET 131 CO -0.05 0.91 0.54 0.77 0.14 0.00 0.00 176.91 179.22 1myg h SER 132 N 1.12 0.94 -0.80 1.39 0.02 -0.49 -2.22 113.55 113.50 1myg h SER 132 Ca 0.26 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1myg h SER 132 Cb 0.17 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 1myg h SER 132 CO -0.03 0.67 0.48 0.11 -1.14 0.00 0.00 176.83 176.93 1myg h LYS 133 N 1.10 1.10 -0.50 3.45 1.57 -0.61 0.13 116.57 122.82 1myg h LYS 133 Ca 0.30 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1myg h LYS 133 Cb -0.12 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 31.94 1myg h LYS 133 CO -0.07 0.78 0.24 0.00 -0.57 0.00 0.00 179.45 179.83 1myg h ALA 134 N 1.41 0.64 -0.00 3.86 0.00 -0.86 0.61 119.26 124.92 1myg h ALA 134 Ca 0.29 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 1myg h ALA 134 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1myg h ALA 134 CO -0.05 0.20 -0.87 -0.07 0.00 0.00 0.00 179.25 178.45 1myg h LEU 135 N 0.66 0.31 -0.85 0.00 3.38 -1.27 -1.39 115.31 116.15 1myg h LEU 135 Ca 0.17 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1myg h LEU 135 Cb 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1myg h LEU 135 CO -0.02 1.04 -0.08 -0.08 0.09 0.00 0.00 178.44 179.39 1myg h GLU 136 N 0.14 0.77 -0.15 1.13 4.81 -0.37 -1.35 114.58 119.57 1myg h GLU 136 Ca -0.05 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1myg h GLU 136 Cb 1.49 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 1myg h GLU 136 CO 0.14 0.83 0.09 1.25 -0.73 0.00 0.00 179.01 180.59 1myg h LEU 137 N 0.70 0.14 -0.31 1.64 5.85 -0.64 -0.89 115.31 121.81 1myg h LEU 137 Ca 0.12 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1myg h LEU 137 Cb 0.55 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 1myg h LEU 137 CO 0.03 0.11 -0.22 0.15 -0.34 0.00 0.00 178.44 178.17 1myg h PHE 138 N 0.18 -0.57 -0.27 1.25 3.57 -1.04 0.02 116.94 120.08 1myg h PHE 138 Ca 0.06 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1myg h PHE 138 Cb -0.01 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1myg h PHE 138 CO -0.08 -0.30 0.16 0.00 -2.23 0.00 0.00 178.31 175.87 1myg h ARG 139 N -0.19 0.37 -0.23 1.11 3.08 -0.87 -1.49 114.38 116.15 1myg h ARG 139 Ca 0.16 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.18 1myg h ARG 139 Cb 0.44 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1myg h ARG 139 CO -0.42 0.29 0.14 -0.91 -1.07 0.00 0.00 179.97 178.00 1myg h ASN 140 N 0.35 0.22 -0.45 7.04 -0.26 -0.85 0.69 115.58 122.32 1myg h ASN 140 Ca 0.10 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.79 1myg h ASN 140 Cb 0.01 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.21 1myg h ASN 140 CO -0.02 0.16 0.12 0.44 -1.06 0.00 0.00 177.43 177.07 1myg h ASP 141 N 0.28 0.72 -0.45 5.81 5.19 -0.83 -1.98 116.42 125.17 1myg h ASP 141 Ca 0.09 -0.13 -0.04 0.00 -0.62 0.00 0.00 57.03 56.34 1myg h ASP 141 Cb -0.01 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.30 1myg h ASP 141 CO -0.04 0.72 0.14 0.24 -3.12 0.00 0.00 179.24 177.17 1myg h MET 142 N 0.75 0.69 -0.58 3.56 2.86 -0.92 -2.45 114.93 118.84 1myg h MET 142 Ca 0.17 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1myg h MET 142 Cb 0.28 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1myg h MET 142 CO -0.00 0.67 0.12 0.00 1.06 0.00 0.00 176.91 178.76 1myg h ALA 143 N 0.99 1.13 -0.31 6.32 0.00 -0.65 0.71 119.26 127.45 1myg h ALA 143 Ca 0.14 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1myg h ALA 143 Cb 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1myg h ALA 143 CO -0.00 0.58 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 1myg h ALA 144 N 1.27 1.08 -0.04 0.00 0.00 -1.23 -2.42 119.26 117.92 1myg h ALA 144 Ca 0.18 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 1myg h ALA 144 Cb 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1myg h ALA 144 CO 0.00 0.56 -0.83 0.87 0.00 0.00 0.00 179.25 179.86 1myg h LYS 145 N 0.52 0.40 -0.44 0.00 1.57 -0.91 -2.80 116.57 114.89 1myg h LYS 145 Ca 0.08 -0.37 0.03 0.00 -1.87 0.00 0.00 60.65 58.52 1myg h LYS 145 Cb 0.63 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 1myg h LYS 145 CO 0.04 1.03 0.23 1.88 -0.57 0.00 0.00 179.45 182.07 1myg h TYR 146 N 0.25 0.43 -0.21 -1.35 -1.99 -0.66 -1.24 116.97 112.20 1myg h TYR 146 Ca -0.05 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.75 1myg h TYR 146 Cb 1.43 -0.13 -0.05 0.00 2.00 0.00 0.00 36.73 39.98 1myg h TYR 146 CO 0.05 0.23 -0.12 -0.22 -0.00 0.00 0.00 178.16 178.10 1myg h LYS 147 N 0.47 -0.10 -0.07 4.88 3.11 -1.47 3.57 116.57 126.96 1myg h LYS 147 Ca 0.19 0.01 -0.12 0.00 -2.81 0.00 0.00 60.65 57.91 1myg h LYS 147 Cb 0.07 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.31 1myg h LYS 147 CO -0.12 -0.07 -0.52 1.49 -2.81 0.00 0.00 179.45 177.43 1myg h GLU 148 N -0.11 0.19 0.00 1.90 4.81 -1.28 -2.40 114.58 117.70 1myg h GLU 148 Ca 0.12 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1myg h GLU 148 Cb 0.28 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1myg h GLU 148 CO -0.28 0.67 0.00 1.28 -0.73 0.00 0.00 179.01 179.94 1myg n LEU 149 N -3.94 0.41 0.00 1.64 4.77 -0.49 -4.87 117.00 114.53 1myg n LEU 149 Ca -0.02 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1myg n LEU 149 Cb 0.55 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1myg n LEU 149 CO 0.43 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1myg n GLY 150 N 0.63 0.67 3.79 -0.72 0.00 -0.18 -5.07 105.19 104.31 1myg n GLY 150 Ca 0.04 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1myg n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1myg s PHE 151 N -2.00 2.83 0.00 1.61 5.36 1.17 -4.85 117.98 122.10 1myg s PHE 151 Ca 0.00 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 1myg s PHE 151 Cb 0.00 -3.18 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 1myg s PHE 151 CO 0.00 -1.22 0.00 1.04 -1.46 0.00 0.00 175.22 173.58 1myg n GLN 152 N -1.20 0.00 0.00 10.12 6.02 -1.26 -3.68 117.38 127.38 1myg n GLN 152 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1myg n GLN 152 Cb 0.52 -0.68 0.00 0.00 1.02 0.00 0.00 30.24 31.10 1myg n GLN 152 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46