#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m6c s LEU 2 N 0.00 3.87 0.94 0.99 1.02 -1.26 -5.11 118.68 119.13 1m6c s LEU 2 Ca 0.00 -0.01 -0.12 0.00 0.02 0.00 0.00 54.13 54.01 1m6c s LEU 2 Cb 0.00 -2.52 0.15 0.00 0.02 0.00 0.00 46.19 43.84 1m6c s LEU 2 CO 0.00 0.14 1.11 -0.94 0.02 0.00 0.00 176.35 176.68 1m6c s SER 3 N -2.65 3.22 0.12 2.29 1.04 -1.26 -4.83 113.70 111.63 1m6c s SER 3 Ca 0.30 1.12 -0.19 0.00 0.48 0.00 0.00 55.95 57.67 1m6c s SER 3 Cb -0.12 -1.75 -0.05 0.00 0.10 0.00 0.00 66.02 64.20 1m6c s SER 3 CO 0.23 -2.75 1.71 0.44 0.98 0.00 0.00 173.24 173.85 1m6c h ASP 4 N -1.63 0.34 -0.65 7.02 3.32 -1.99 -0.85 116.42 121.98 1m6c h ASP 4 Ca -0.52 -0.10 0.14 0.00 0.02 0.00 0.00 57.03 56.57 1m6c h ASP 4 Cb 1.32 -0.09 -0.10 0.00 0.22 0.00 0.00 39.33 40.68 1m6c h ASP 4 CO 0.59 0.34 0.05 1.23 -1.72 0.00 0.00 179.24 179.74 1m6c h GLY 5 N 0.32 0.76 1.00 2.75 0.00 -2.00 -1.21 103.07 104.69 1m6c h GLY 5 Ca 0.09 0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.39 1m6c h GLY 5 CO -0.01 -0.19 -0.01 0.83 0.00 0.00 0.00 176.54 177.15 1m6c h GLU 6 N 0.16 0.85 -0.67 4.80 5.08 -1.66 -2.03 114.58 121.12 1m6c h GLU 6 Ca 0.35 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1m6c h GLU 6 Cb 0.57 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 1m6c h GLU 6 CO -0.52 0.90 0.39 -1.49 -1.00 0.00 0.00 179.01 177.30 1m6c h TRP 7 N 0.71 0.73 -0.63 4.33 4.06 -0.68 -0.59 115.95 123.88 1m6c h TRP 7 Ca 0.14 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.09 1m6c h TRP 7 Cb 0.52 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 28.42 1m6c h TRP 7 CO 0.04 0.38 0.33 0.37 -3.56 0.00 0.00 178.44 176.01 1m6c h GLN 8 N 0.75 0.87 -0.41 0.49 5.75 -1.01 0.22 115.11 121.77 1m6c h GLN 8 Ca 0.28 -0.10 -0.09 0.00 -0.15 0.00 0.00 58.65 58.60 1m6c h GLN 8 Cb 0.11 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 1m6c h GLN 8 CO -0.15 0.65 -0.11 -0.07 -2.65 0.00 0.00 178.83 176.50 1m6c h LEU 9 N 0.88 0.72 0.37 -2.39 3.38 -0.93 0.63 115.31 117.97 1m6c h LEU 9 Ca 0.22 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1m6c h LEU 9 Cb 0.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1m6c h LEU 9 CO -0.03 0.86 -0.18 0.58 0.09 0.00 0.00 178.44 179.75 1m6c h VAL 10 N 0.66 0.63 0.00 1.22 2.07 -0.44 -2.58 116.25 117.81 1m6c h VAL 10 Ca 0.11 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1m6c h VAL 10 Cb 0.58 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1m6c h VAL 10 CO 0.04 0.07 -0.30 -0.07 0.02 0.00 0.00 177.57 177.33 1m6c h LEU 11 N -0.71 0.00 -0.07 2.57 3.38 -0.86 0.34 115.31 119.96 1m6c h LEU 11 Ca -0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1m6c h LEU 11 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1m6c h LEU 11 CO 0.08 0.30 0.02 0.78 0.09 0.00 0.00 178.44 179.71 1m6c h ASN 12 N 0.00 0.01 0.56 -0.43 2.35 -0.82 -2.09 115.58 115.16 1m6c h ASN 12 Ca -0.00 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.63 1m6c h ASN 12 Cb 0.56 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1m6c h ASN 12 CO 0.04 0.02 -0.60 1.62 -1.65 0.00 0.00 177.43 176.86 1m6c h VAL 13 N 0.05 1.42 0.00 2.81 3.04 -1.28 -2.57 116.25 119.72 1m6c h VAL 13 Ca 0.03 -2.04 -0.03 0.00 -1.01 0.00 0.00 66.70 63.65 1m6c h VAL 13 Cb 0.02 2.09 -0.00 0.00 -2.01 0.00 0.00 31.29 31.38 1m6c h VAL 13 CO -0.03 0.59 -0.16 -0.25 -1.01 0.00 0.00 177.57 176.71 1m6c h TRP 14 N 0.03 0.00 -0.95 3.17 2.91 -0.80 0.43 115.95 120.73 1m6c h TRP 14 Ca -0.01 0.00 0.19 0.00 1.13 0.00 0.00 58.89 60.20 1m6c h TRP 14 Cb 1.06 0.00 -0.08 0.00 -0.51 0.00 0.00 29.16 29.63 1m6c h TRP 14 CO 0.00 0.16 0.61 0.78 -1.03 0.00 0.00 178.44 178.96 1m6c h GLY 15 N 0.65 1.29 1.24 2.65 0.00 -0.94 0.14 103.07 108.09 1m6c h GLY 15 Ca -0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 1m6c h GLY 15 CO 0.02 -0.01 -0.28 0.50 0.00 0.00 0.00 176.54 176.78 1m6c h LYS 16 N 0.60 0.86 -0.26 4.80 1.79 -1.01 -2.32 116.57 121.04 1m6c h LYS 16 Ca 0.51 -0.39 -0.02 0.00 -2.18 0.00 0.00 60.65 58.58 1m6c h LYS 16 Cb 1.00 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 1m6c h LYS 16 CO -0.26 1.03 0.09 0.28 -1.08 0.00 0.00 179.45 179.51 1m6c h VAL 17 N 0.73 1.18 -0.00 0.50 2.07 -1.19 -2.98 116.25 116.56 1m6c h VAL 17 Ca 0.09 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1m6c h VAL 17 Cb 0.83 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1m6c h VAL 17 CO 0.07 0.19 0.01 -0.33 0.02 0.00 0.00 177.57 177.53 1m6c h GLU 18 N 0.26 0.00 0.00 1.57 5.08 -0.26 0.86 114.58 122.09 1m6c h GLU 18 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1m6c h GLU 18 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1m6c h GLU 18 CO -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.00 1m6c n ALA 19 N -2.22 2.48 -2.72 3.43 0.00 -0.96 -4.22 120.51 116.29 1m6c n ALA 19 Ca -0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.19 1m6c n ALA 19 Cb 0.08 -1.48 0.07 0.00 0.00 0.00 0.00 19.45 18.13 1m6c n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1m6c n ASP 20 N -1.23 -2.33 -0.04 0.00 2.03 0.21 -5.04 116.55 110.15 1m6c n ASP 20 Ca 0.16 -2.98 -0.09 0.00 0.52 0.00 0.00 54.79 52.40 1m6c n ASP 20 Cb 0.21 1.58 -0.03 0.00 -0.72 0.00 0.00 41.12 42.16 1m6c n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1m6c h VAL 21 N 2.46 0.92 -0.47 5.18 2.07 -1.48 -2.52 116.25 122.40 1m6c h VAL 21 Ca -0.17 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1m6c h VAL 21 Cb 1.10 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1m6c h VAL 21 CO 0.16 0.03 -0.04 0.00 0.02 0.00 0.00 177.57 177.73 1m6c h ALA 22 N 1.14 1.04 -0.51 1.67 0.00 -1.90 -0.00 119.26 120.70 1m6c h ALA 22 Ca 0.09 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1m6c h ALA 22 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1m6c h ALA 22 CO -0.11 0.59 -0.01 0.78 0.00 0.00 0.00 179.25 180.50 1m6c h GLY 23 N 0.98 0.98 1.38 0.00 0.00 -1.91 -0.32 103.07 104.18 1m6c h GLY 23 Ca 0.14 -0.73 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 1m6c h GLY 23 CO 0.03 0.67 0.05 0.45 0.00 0.00 0.00 176.54 177.74 1m6c h HIS 24 N 0.78 0.80 -0.32 5.60 3.86 -1.28 -1.47 115.15 123.12 1m6c h HIS 24 Ca 0.14 -0.09 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 1m6c h HIS 24 Cb 0.53 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1m6c h HIS 24 CO 0.04 0.72 -0.12 0.78 0.86 0.00 0.00 177.93 180.21 1m6c h GLY 25 N 0.95 0.70 0.98 2.45 0.00 -0.63 -0.74 103.07 106.79 1m6c h GLY 25 Ca 0.15 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1m6c h GLY 25 CO 0.01 0.56 0.23 -1.61 0.00 0.00 0.00 176.54 175.73 1m6c h GLN 26 N 0.42 0.79 -0.65 4.80 4.15 -1.00 -1.64 115.11 121.98 1m6c h GLN 26 Ca 0.08 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.31 1m6c h GLN 26 Cb 0.64 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 1m6c h GLN 26 CO 0.04 0.67 0.20 0.93 -1.93 0.00 0.00 178.83 178.74 1m6c h GLU 27 N 0.72 1.00 0.00 1.69 5.08 -0.74 -1.50 114.58 120.83 1m6c h GLU 27 Ca 0.18 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1m6c h GLU 27 Cb 0.16 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1m6c h GLU 27 CO -0.02 0.86 -0.03 0.28 -1.00 0.00 0.00 179.01 179.10 1m6c h VAL 28 N 0.96 0.91 -0.71 3.13 2.07 -0.98 -1.37 116.25 120.27 1m6c h VAL 28 Ca 0.21 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.68 1m6c h VAL 28 Cb 0.29 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1m6c h VAL 28 CO -0.01 0.00 0.22 -0.07 0.02 0.00 0.00 177.57 177.73 1m6c h LEU 29 N -0.06 1.02 -1.25 2.57 3.38 -1.15 -0.81 115.31 119.02 1m6c h LEU 29 Ca 0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1m6c h LEU 29 Cb 0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1m6c h LEU 29 CO -0.04 0.95 0.11 0.40 0.09 0.00 0.00 178.44 179.95 1m6c h ILE 30 N 1.05 1.19 -0.22 1.22 2.04 -1.06 -0.37 117.51 121.36 1m6c h ILE 30 Ca 0.23 -0.66 -0.11 0.00 1.00 0.00 0.00 64.86 65.32 1m6c h ILE 30 Cb 0.30 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1m6c h ILE 30 CO -0.01 0.24 -0.29 0.03 0.00 0.00 0.00 178.15 178.12 1m6c h ARG 31 N 0.61 0.59 0.44 2.37 2.47 -0.97 0.90 114.38 120.79 1m6c h ARG 31 Ca 0.14 -0.34 -0.01 0.00 -1.26 0.00 0.00 59.98 58.51 1m6c h ARG 31 Cb 0.23 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.55 1m6c h ARG 31 CO -0.00 0.94 -0.51 1.25 0.56 0.00 0.00 179.97 182.20 1m6c h LEU 32 N 0.27 -1.43 -0.76 3.04 5.85 -1.02 0.73 115.31 121.99 1m6c h LEU 32 Ca 0.03 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1m6c h LEU 32 Cb 0.87 0.48 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 1m6c h LEU 32 CO 0.07 -0.65 0.36 -0.26 -0.34 0.00 0.00 178.44 177.62 1m6c h PHE 33 N -0.97 1.10 0.00 1.25 0.04 -1.02 0.37 116.94 117.72 1m6c h PHE 33 Ca -0.05 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 1m6c h PHE 33 Cb 0.86 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.66 1m6c h PHE 33 CO -0.29 0.81 -0.11 0.87 -0.60 0.00 0.00 178.31 178.99 1m6c h LYS 34 N 1.07 0.00 0.07 1.51 1.79 -0.78 -2.68 116.57 117.55 1m6c h LYS 34 Ca 0.26 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.40 1m6c h LYS 34 Cb 0.13 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 1m6c h LYS 34 CO -0.03 0.11 -1.86 0.41 -1.08 0.00 0.00 179.45 176.99 1m6c n GLY 35 N 0.92 -0.77 2.50 3.86 0.00 0.24 -4.69 105.19 107.26 1m6c n GLY 35 Ca 0.03 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 1m6c n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1m6c s HIS 36 N -2.58 1.33 0.45 1.61 3.76 0.13 -5.01 115.29 114.97 1m6c s HIS 36 Ca -0.14 -2.23 0.19 0.00 -0.15 0.00 0.00 55.06 52.74 1m6c s HIS 36 Cb 0.07 -1.21 1.15 0.00 1.11 0.00 0.00 32.58 33.70 1m6c s HIS 36 CO 0.80 -0.80 1.89 -1.35 -0.85 0.00 0.00 174.74 174.43 1m6c h PRO 37 N 6.17 0.32 0.00 8.40 0.11 -1.68 -1.27 132.00 144.04 1m6c h PRO 37 Ca 0.16 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1m6c h PRO 37 Cb 0.92 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1m6c h PRO 37 CO 0.39 0.21 -0.03 1.05 -0.21 0.00 0.00 178.00 179.40 1m6c h GLU 38 N 0.33 0.00 -0.04 1.05 9.09 -1.93 -2.67 114.58 120.41 1m6c h GLU 38 Ca 0.41 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.75 1m6c h GLU 38 Cb 1.11 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.20 1m6c h GLU 38 CO -0.12 0.03 -0.31 1.79 0.05 0.00 0.00 179.01 180.45 1m6c h THR 39 N 0.00 1.24 -0.64 -1.06 1.35 -1.56 -2.63 112.91 109.60 1m6c h THR 39 Ca -0.00 -1.15 0.15 0.00 -0.55 0.00 0.00 66.41 64.86 1m6c h THR 39 Cb 0.07 1.56 -0.04 0.00 -1.73 0.00 0.00 68.15 68.02 1m6c h THR 39 CO 0.00 0.33 0.44 0.25 -0.25 0.00 0.00 175.52 176.30 1m6c h LEU 40 N 0.07 0.20 -1.11 3.87 5.85 -1.64 -1.34 115.31 121.21 1m6c h LEU 40 Ca 0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1m6c h LEU 40 Cb 0.59 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1m6c h LEU 40 CO 0.04 0.11 0.00 -0.33 -0.34 0.00 0.00 178.44 177.92 1m6c h GLU 41 N 0.22 0.00 0.00 1.25 5.08 -1.63 -2.22 114.58 117.28 1m6c h GLU 41 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1m6c h GLU 41 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1m6c h GLU 41 CO -0.06 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.58 1m6c n LYS 42 N -2.45 0.07 -3.57 2.33 4.76 -0.50 -4.42 118.16 114.38 1m6c n LYS 42 Ca 0.01 0.01 -0.40 0.00 -2.87 0.00 0.00 58.31 55.05 1m6c n LYS 42 Cb 0.20 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.80 1m6c n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1m6c s PHE 43 N -2.93 3.45 0.40 2.13 0.40 -0.84 -4.95 117.98 115.65 1m6c s PHE 43 Ca 0.16 -1.98 0.06 0.00 -0.60 0.00 0.00 56.93 54.57 1m6c s PHE 43 Cb 0.19 -3.47 0.82 0.00 0.51 0.00 0.00 43.02 41.07 1m6c s PHE 43 CO 0.51 -0.98 2.05 -0.44 0.70 0.00 0.00 175.22 177.06 1m6c h ASP 44 N 8.29 0.52 0.30 1.36 3.32 -1.84 -0.81 116.42 127.57 1m6c h ASP 44 Ca -0.18 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1m6c h ASP 44 Cb 1.06 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1m6c h ASP 44 CO 0.83 0.38 0.00 0.29 -1.72 0.00 0.00 179.24 179.02 1m6c n LYS 45 N -4.47 0.25 -0.36 3.56 5.02 -1.26 -3.31 118.16 117.59 1m6c n LYS 45 Ca 0.04 0.12 0.08 0.00 -2.02 0.00 0.00 58.31 56.53 1m6c n LYS 45 Cb 0.06 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 33.78 1m6c n LYS 45 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1m6c n PHE 46 N -1.27 0.63 0.17 2.13 3.72 -0.31 -4.76 117.46 117.77 1m6c n PHE 46 Ca 0.08 -1.00 0.01 0.00 -0.05 0.00 0.00 57.45 56.50 1m6c n PHE 46 Cb 0.13 -0.28 0.32 0.00 -0.94 0.00 0.00 39.48 38.71 1m6c n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1m6c h LYS 47 N 1.13 0.04 -0.00 -1.08 1.79 -1.65 -2.55 116.57 114.25 1m6c h LYS 47 Ca 0.02 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1m6c h LYS 47 Cb 1.31 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1m6c h LYS 47 CO 0.16 0.43 -0.01 -2.39 -1.08 0.00 0.00 179.45 176.57 1m6c n HIS 48 N -4.06 0.00 -2.59 -1.35 1.44 -1.26 -4.66 115.22 102.74 1m6c n HIS 48 Ca -0.02 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.28 1m6c n HIS 48 Cb 0.43 -0.09 -0.02 0.00 0.12 0.00 0.00 29.99 30.43 1m6c n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1m6c s LEU 49 N -2.18 3.69 0.00 2.39 1.43 -0.96 -4.84 118.68 118.20 1m6c s LEU 49 Ca 0.41 -1.73 0.11 0.00 -1.03 0.00 0.00 54.13 51.90 1m6c s LEU 49 Cb 0.21 -2.56 0.34 0.00 0.03 0.00 0.00 46.19 44.21 1m6c s LEU 49 CO 0.40 -1.40 1.27 0.29 0.23 0.00 0.00 176.35 177.14 1m6c n LYS 50 N 8.60 1.71 -3.82 1.70 4.76 -1.26 -4.89 118.16 124.96 1m6c n LYS 50 Ca 0.36 -1.10 -0.09 0.00 -2.87 0.00 0.00 58.31 54.61 1m6c n LYS 50 Cb 0.50 -1.26 -0.04 0.00 -1.84 0.00 0.00 35.03 32.39 1m6c n LYS 50 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1m6c s SER 51 N -1.07 -0.22 0.21 4.39 1.04 -1.26 -5.01 113.70 111.77 1m6c s SER 51 Ca 0.22 -0.60 -0.07 0.00 0.48 0.00 0.00 55.95 55.98 1m6c s SER 51 Cb 0.12 0.61 0.16 0.00 0.10 0.00 0.00 66.02 67.00 1m6c s SER 51 CO 0.16 -1.13 1.75 -0.08 0.98 0.00 0.00 173.24 174.92 1m6c h GLU 52 N 2.17 1.15 -0.89 4.02 4.81 -1.99 -1.48 114.58 122.37 1m6c h GLU 52 Ca -0.26 -0.24 0.06 0.00 -0.13 0.00 0.00 59.36 58.78 1m6c h GLU 52 Cb 1.26 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.41 1m6c h GLU 52 CO 0.34 0.97 0.56 -0.44 -0.73 0.00 0.00 179.01 179.72 1m6c h ASP 53 N 1.10 0.90 -0.54 1.04 3.32 -1.99 0.04 116.42 120.29 1m6c h ASP 53 Ca 0.24 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 1m6c h ASP 53 Cb 0.30 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1m6c h ASP 53 CO -0.01 0.59 0.02 -0.33 -1.72 0.00 0.00 179.24 177.79 1m6c h GLU 54 N 1.04 0.95 -0.49 3.56 5.08 -1.83 -2.17 114.58 120.72 1m6c h GLU 54 Ca 0.38 -0.29 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1m6c h GLU 54 Cb 0.13 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1m6c h GLU 54 CO -0.16 0.95 0.28 0.52 -1.00 0.00 0.00 179.01 179.60 1m6c h MET 55 N 0.83 0.55 0.00 2.33 2.86 -0.49 -1.84 114.93 119.17 1m6c h MET 55 Ca 0.16 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 1m6c h MET 55 Cb 0.50 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1m6c h MET 55 CO 0.02 0.36 -0.17 0.87 1.06 0.00 0.00 176.91 179.06 1m6c h LYS 56 N 0.57 0.00 0.00 1.72 1.57 -0.88 -2.85 116.57 116.70 1m6c h LYS 56 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1m6c h LYS 56 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1m6c h LYS 56 CO -0.10 0.17 -0.31 0.00 -0.57 0.00 0.00 179.45 178.65 1m6c h ALA 57 N 1.83 0.83 -1.93 3.86 0.00 -0.77 -3.46 119.26 119.62 1m6c h ALA 57 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1m6c h ALA 57 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1m6c h ALA 57 CO 0.02 0.00 1.32 0.45 0.00 0.00 0.00 179.25 181.04 1m6c s SER 58 N -5.54 5.83 0.33 0.00 0.15 -0.75 -4.88 113.70 108.85 1m6c s SER 58 Ca 0.06 1.54 0.11 0.00 0.70 0.00 0.00 55.95 58.36 1m6c s SER 58 Cb 0.08 -2.52 0.57 0.00 -1.71 0.00 0.00 66.02 62.44 1m6c s SER 58 CO 0.69 -1.72 1.74 1.05 1.20 0.00 0.00 173.24 176.21 1m6c h GLU 59 N 13.21 0.03 -0.51 5.44 4.11 -1.89 -2.87 114.58 132.09 1m6c h GLU 59 Ca -0.36 -0.02 -0.13 0.00 0.07 0.00 0.00 59.36 58.92 1m6c h GLU 59 Cb 1.19 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1m6c h GLU 59 CO 1.00 0.48 -0.18 0.22 0.07 0.00 0.00 179.01 180.61 1m6c h ASP 60 N 0.03 1.04 -0.51 3.06 3.58 -1.97 -1.42 116.42 120.23 1m6c h ASP 60 Ca -0.00 -0.38 -0.00 0.00 0.42 0.00 0.00 57.03 57.07 1m6c h ASP 60 Cb 0.82 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 1m6c h ASP 60 CO 0.06 1.18 0.31 0.25 -2.88 0.00 0.00 179.24 178.17 1m6c h LEU 61 N 0.89 0.62 -1.15 2.28 6.46 -1.86 -1.63 115.31 120.91 1m6c h LEU 61 Ca 0.12 -0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.77 1m6c h LEU 61 Cb 0.76 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1m6c h LEU 61 CO 0.06 0.49 0.01 0.50 -0.62 0.00 0.00 178.44 178.88 1m6c h LYS 62 N 0.69 0.60 -0.41 1.25 3.64 -1.30 0.17 116.57 121.20 1m6c h LYS 62 Ca 0.18 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 1m6c h LYS 62 Cb -0.01 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1m6c h LYS 62 CO -0.03 0.62 -0.31 0.87 -2.27 0.00 0.00 179.45 178.33 1m6c h LYS 63 N 0.57 0.93 -0.43 1.90 1.57 -0.94 -0.01 116.57 120.16 1m6c h LYS 63 Ca 0.12 -0.45 -0.13 0.00 -1.87 0.00 0.00 60.65 58.31 1m6c h LYS 63 Cb 0.36 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1m6c h LYS 63 CO 0.01 1.11 -0.26 0.45 -0.57 0.00 0.00 179.45 180.20 1m6c h HIS 64 N 0.76 1.04 -0.43 -1.35 3.86 -0.94 -0.92 115.15 117.17 1m6c h HIS 64 Ca 0.08 -0.26 -0.08 0.00 -1.16 0.00 0.00 60.37 58.95 1m6c h HIS 64 Cb 0.89 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 1m6c h HIS 64 CO 0.06 1.05 -0.06 0.78 0.86 0.00 0.00 177.93 180.62 1m6c h GLY 65 N 0.90 0.78 0.88 2.45 0.00 -0.50 -1.44 103.07 106.14 1m6c h GLY 65 Ca 0.09 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1m6c h GLY 65 CO 0.07 0.51 0.06 -0.57 0.00 0.00 0.00 176.54 176.60 1m6c h ASN 66 N 0.67 0.42 -0.42 0.19 -0.73 -0.68 -1.72 115.58 113.30 1m6c h ASN 66 Ca 0.12 -0.24 0.04 0.00 1.87 0.00 0.00 56.30 58.09 1m6c h ASN 66 Cb 0.51 -0.11 -0.04 0.00 0.27 0.00 0.00 38.32 38.94 1m6c h ASN 66 CO 0.03 0.56 0.19 0.74 -0.37 0.00 0.00 177.43 178.57 1m6c h THR 67 N 0.26 0.94 0.65 -3.57 2.02 -1.14 0.71 112.91 112.78 1m6c h THR 67 Ca 0.08 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1m6c h THR 67 Cb 0.31 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1m6c h THR 67 CO 0.00 0.07 -0.46 -1.13 0.37 0.00 0.00 175.52 174.38 1m6c h ASN 68 N 0.39 -1.19 0.52 4.18 -0.73 -1.18 -2.24 115.58 115.33 1m6c h ASN 68 Ca 0.19 0.08 -0.09 0.00 1.87 0.00 0.00 56.30 58.34 1m6c h ASN 68 Cb 0.12 0.36 -0.01 0.00 0.27 0.00 0.00 38.32 39.06 1m6c h ASN 68 CO -0.15 -0.68 -0.43 -0.07 -0.37 0.00 0.00 177.43 175.73 1m6c h LEU 69 N -1.06 0.00 -0.96 0.34 3.38 -1.29 -1.07 115.31 114.66 1m6c h LEU 69 Ca -0.08 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1m6c h LEU 69 Cb 0.88 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 1m6c h LEU 69 CO 0.04 0.43 0.63 0.74 0.09 0.00 0.00 178.44 180.37 1m6c h THR 70 N 0.00 1.21 -0.51 0.22 2.02 -0.83 -0.40 112.91 114.62 1m6c h THR 70 Ca -0.00 -0.43 -0.11 0.00 0.77 0.00 0.00 66.41 66.63 1m6c h THR 70 Cb 0.80 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1m6c h THR 70 CO 0.06 0.23 -0.13 0.00 0.37 0.00 0.00 175.52 176.05 1m6c h ALA 71 N 1.37 0.70 -0.72 6.16 0.00 -0.76 -1.91 119.26 124.10 1m6c h ALA 71 Ca 0.36 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1m6c h ALA 71 Cb -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1m6c h ALA 71 CO -0.10 0.63 0.25 1.25 0.00 0.00 0.00 179.25 181.27 1m6c h LEU 72 N 0.85 1.04 -0.88 0.00 5.85 -1.06 -2.04 115.31 119.06 1m6c h LEU 72 Ca 0.13 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1m6c h LEU 72 Cb 0.69 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1m6c h LEU 72 CO 0.05 0.96 0.42 1.23 -0.34 0.00 0.00 178.44 180.76 1m6c h GLY 73 N 1.06 1.31 0.98 3.75 0.00 -0.96 0.14 103.07 109.34 1m6c h GLY 73 Ca 0.24 -0.64 0.02 0.00 0.00 0.00 0.00 47.33 46.95 1m6c h GLY 73 CO -0.01 0.61 0.65 -1.33 0.00 0.00 0.00 176.54 176.46 1m6c h GLY 74 N 1.22 1.41 0.69 4.60 0.00 -0.87 -1.01 103.07 109.10 1m6c h GLY 74 Ca 0.29 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1m6c h GLY 74 CO -0.04 0.48 -0.05 -2.22 0.00 0.00 0.00 176.54 174.71 1m6c h ILE 75 N 1.31 1.32 -0.99 2.60 2.04 -0.64 -3.19 117.51 119.96 1m6c h ILE 75 Ca 0.37 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 65.17 1m6c h ILE 75 Cb -0.10 1.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 1m6c h ILE 75 CO -0.10 0.31 0.65 -0.07 0.00 0.00 0.00 178.15 178.95 1m6c h LEU 76 N -0.15 1.12 -2.50 1.44 3.38 -0.46 -1.78 115.31 116.35 1m6c h LEU 76 Ca 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1m6c h LEU 76 Cb 0.51 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1m6c h LEU 76 CO 0.02 0.80 -0.02 0.11 0.09 0.00 0.00 178.44 179.43 1m6c h LYS 77 N 1.32 0.00 -0.01 1.13 1.57 -1.22 -0.77 116.57 118.58 1m6c h LYS 77 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1m6c h LYS 77 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1m6c h LYS 77 CO -0.09 0.02 -0.01 1.63 -0.57 0.00 0.00 179.45 180.42 1m6c n LYS 78 N -3.30 1.18 0.00 3.15 4.76 -0.67 -4.99 118.16 118.28 1m6c n LYS 78 Ca -0.02 -0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.06 1m6c n LYS 78 Cb 0.14 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 1m6c n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1m6c n LYS 79 N -0.60 0.00 0.00 1.97 5.02 -0.30 -1.64 118.16 122.61 1m6c n LYS 79 Ca 0.21 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.53 1m6c n LYS 79 Cb 0.22 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.42 1m6c n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m6c n GLY 80 N 0.00 -0.80 2.21 0.72 0.00 -1.26 -4.38 105.19 101.68 1m6c n GLY 80 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1m6c n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1m6c n HIS 81 N -0.63 -0.04 -0.41 1.61 8.25 -0.65 -4.90 115.22 118.45 1m6c n HIS 81 Ca 0.05 -3.63 0.03 0.00 -0.26 0.00 0.00 57.72 53.92 1m6c n HIS 81 Cb 0.02 -0.37 0.05 0.00 1.12 0.00 0.00 29.99 30.81 1m6c n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1m6c n HIS 82 N 1.24 0.00 -0.19 4.41 1.44 -1.26 -4.78 115.22 116.08 1m6c n HIS 82 Ca 0.22 -0.65 0.00 0.00 -2.01 0.00 0.00 57.72 55.28 1m6c n HIS 82 Cb 0.54 -0.08 0.10 0.00 0.12 0.00 0.00 29.99 30.67 1m6c n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1m6c h GLU 83 N 0.00 0.24 -0.90 -1.40 4.22 -1.96 0.14 114.58 114.92 1m6c h GLU 83 Ca 0.00 -0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.45 1m6c h GLU 83 Cb 0.69 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1m6c h GLU 83 CO 0.00 0.16 0.59 0.00 -2.18 0.00 0.00 179.01 177.57 1m6c h ALA 84 N 1.47 1.17 0.02 2.92 0.00 -2.02 -1.70 119.26 121.12 1m6c h ALA 84 Ca 0.31 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.95 1m6c h ALA 84 Cb 0.46 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1m6c h ALA 84 CO -0.40 0.47 -0.96 0.93 0.00 0.00 0.00 179.25 179.29 1m6c h GLU 85 N 1.16 0.31 -0.08 0.00 3.07 -1.65 -3.38 114.58 114.01 1m6c h GLU 85 Ca 0.35 -0.36 -0.19 0.00 -0.50 0.00 0.00 59.36 58.66 1m6c h GLU 85 Cb -0.04 0.11 0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1m6c h GLU 85 CO -0.10 1.06 -0.71 1.25 -1.40 0.00 0.00 179.01 179.11 1m6c h LEU 86 N 0.16 0.76 -0.35 1.33 6.46 -0.61 -3.35 115.31 119.72 1m6c h LEU 86 Ca -0.07 -0.68 0.06 0.00 -0.12 0.00 0.00 57.88 57.07 1m6c h LEU 86 Cb 1.61 -0.23 -0.08 0.00 -0.73 0.00 0.00 40.66 41.22 1m6c h LEU 86 CO 0.16 1.32 -0.42 0.74 -0.62 0.00 0.00 178.44 179.62 1m6c h THR 87 N 0.25 0.13 -0.56 1.05 2.02 -1.49 0.76 112.91 115.08 1m6c h THR 87 Ca -0.07 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.16 1m6c h THR 87 Cb 1.36 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 1m6c h THR 87 CO 0.14 0.00 0.37 1.55 0.37 0.00 0.00 175.52 177.95 1m6c h PRO 88 N -0.35 0.55 -0.18 6.66 0.13 -1.79 0.29 132.00 137.31 1m6c h PRO 88 Ca 0.13 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 65.10 1m6c h PRO 88 Cb 0.59 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1m6c h PRO 88 CO -0.53 0.36 -0.39 1.25 -0.23 0.00 0.00 178.00 178.46 1m6c h LEU 89 N 0.56 0.65 -0.65 1.56 5.85 -1.45 -0.36 115.31 121.47 1m6c h LEU 89 Ca 0.23 -0.56 -0.10 0.00 0.84 0.00 0.00 57.88 58.29 1m6c h LEU 89 Cb 0.22 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1m6c h LEU 89 CO -0.07 1.09 -0.07 0.00 -0.34 0.00 0.00 178.44 179.06 1m6c h ALA 90 N 0.57 0.85 0.24 1.25 0.00 -0.17 -0.57 119.26 121.43 1m6c h ALA 90 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1m6c h ALA 90 Cb 0.99 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1m6c h ALA 90 CO 0.09 0.66 -0.40 1.96 0.00 0.00 0.00 179.25 181.55 1m6c h GLN 91 N 0.89 -0.66 -0.99 0.00 4.20 -0.28 0.08 115.11 118.35 1m6c h GLN 91 Ca 0.15 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.92 1m6c h GLN 91 Cb 0.62 0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 1m6c h GLN 91 CO 0.04 -0.44 0.66 0.66 -0.67 0.00 0.00 178.83 179.08 1m6c h SER 92 N -0.68 1.13 0.39 1.46 4.64 -1.03 -1.60 113.55 117.86 1m6c h SER 92 Ca -0.03 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.15 1m6c h SER 92 Cb 0.63 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1m6c h SER 92 CO -0.14 0.81 -0.53 0.45 -0.87 0.00 0.00 176.83 176.55 1m6c h HIS 93 N 1.33 0.18 0.17 4.77 3.86 -0.97 -1.34 115.15 123.15 1m6c h HIS 93 Ca 0.37 -0.06 -0.24 0.00 -1.16 0.00 0.00 60.37 59.28 1m6c h HIS 93 Cb -0.12 -0.04 0.02 0.00 1.06 0.00 0.00 27.41 28.33 1m6c h HIS 93 CO -0.00 0.65 -1.10 0.00 0.86 0.00 0.00 177.93 178.34 1m6c h ALA 94 N 1.34 -0.06 0.00 2.45 0.00 -0.89 -1.01 119.26 121.10 1m6c h ALA 94 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1m6c h ALA 94 Cb 0.97 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1m6c h ALA 94 CO 0.08 0.54 -0.17 0.25 0.00 0.00 0.00 179.25 179.94 1m6c n THR 95 N -3.98 0.47 -0.13 0.00 -2.24 -0.61 -4.11 114.28 103.67 1m6c n THR 95 Ca -0.17 0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.91 1m6c n THR 95 Cb 0.91 -1.79 -0.02 0.00 -2.10 0.00 0.00 70.33 67.33 1m6c n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1m6c h LYS 96 N -0.33 0.76 0.00 -0.78 1.57 -1.54 -3.35 116.57 112.90 1m6c h LYS 96 Ca 0.00 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1m6c h LYS 96 Cb 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1m6c h LYS 96 CO 0.00 0.92 -1.14 0.72 -0.57 0.00 0.00 179.45 179.38 1m6c n HIS 97 N -4.32 0.18 -3.57 -1.35 8.25 -0.57 -5.01 115.22 108.83 1m6c n HIS 97 Ca -0.02 0.05 -0.19 0.00 -0.26 0.00 0.00 57.72 57.30 1m6c n HIS 97 Cb 0.39 -0.36 0.06 0.00 1.12 0.00 0.00 29.99 31.20 1m6c n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1m6c n LYS 98 N -1.91 -5.57 -3.51 -0.41 5.02 -0.89 -4.98 118.16 105.91 1m6c n LYS 98 Ca 0.02 0.73 -0.41 0.00 -2.02 0.00 0.00 58.31 56.62 1m6c n LYS 98 Cb 0.43 -5.49 -0.10 0.00 -0.02 0.00 0.00 35.03 29.84 1m6c n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1m6c s ILE 99 N -3.52 5.18 0.57 -0.18 -1.09 -0.43 -5.04 121.20 116.68 1m6c s ILE 99 Ca 0.02 -0.47 -0.19 0.00 -2.23 0.00 0.00 60.65 57.78 1m6c s ILE 99 Cb -0.00 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 37.06 1m6c s ILE 99 CO 0.77 -0.15 1.13 -2.16 -1.23 0.00 0.00 174.94 173.30 1m6c s PRO 100 N 1.68 3.25 0.29 2.79 0.04 -1.26 -4.68 135.00 137.11 1m6c s PRO 100 Ca 0.05 1.58 0.04 0.00 0.04 0.00 0.00 61.00 62.71 1m6c s PRO 100 Cb -0.18 -1.99 0.68 0.00 0.04 0.00 0.00 34.50 33.05 1m6c s PRO 100 CO 0.10 -0.93 1.77 0.28 0.04 0.00 0.00 177.00 178.26 1m6c h VAL 101 N 0.98 0.70 -0.98 -0.36 2.07 -1.90 0.20 116.25 116.96 1m6c h VAL 101 Ca -0.49 -0.25 0.23 0.00 0.82 0.00 0.00 66.70 67.00 1m6c h VAL 101 Cb 1.26 -0.08 -0.09 0.00 -1.52 0.00 0.00 31.29 30.87 1m6c h VAL 101 CO 0.56 0.13 0.63 0.50 0.02 0.00 0.00 177.57 179.41 1m6c h LYS 102 N 0.72 0.48 0.00 1.57 3.64 -1.96 0.16 116.57 121.18 1m6c h LYS 102 Ca 0.55 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.80 1m6c h LYS 102 Cb 0.84 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1m6c h LYS 102 CO -0.38 0.31 -0.49 1.88 -2.27 0.00 0.00 179.45 178.50 1m6c h TYR 103 N 0.49 0.00 -0.30 1.91 -1.99 -0.95 -2.29 116.97 113.84 1m6c h TYR 103 Ca 0.55 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.24 1m6c h TYR 103 Cb 1.24 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.95 1m6c h TYR 103 CO -0.00 0.49 0.03 -0.07 -0.00 0.00 0.00 178.16 178.60 1m6c h LEU 104 N 0.00 0.41 -0.31 3.88 3.38 -0.63 -1.50 115.31 120.53 1m6c h LEU 104 Ca -0.00 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1m6c h LEU 104 Cb 1.06 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1m6c h LEU 104 CO 0.06 0.46 0.06 -0.33 0.09 0.00 0.00 178.44 178.78 1m6c h GLU 105 N 0.43 0.52 -0.71 1.13 5.08 -1.16 -1.66 114.58 118.21 1m6c h GLU 105 Ca 0.10 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1m6c h GLU 105 Cb 0.25 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1m6c h GLU 105 CO 0.00 0.60 0.41 0.74 -1.00 0.00 0.00 179.01 179.76 1m6c h PHE 106 N 0.35 0.95 -0.01 4.33 0.04 -1.21 -1.59 116.94 119.80 1m6c h PHE 106 Ca 0.10 -0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.74 1m6c h PHE 106 Cb 0.33 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 1m6c h PHE 106 CO 0.02 0.66 -0.53 0.97 -0.60 0.00 0.00 178.31 178.82 1m6c h ILE 107 N 0.97 1.38 -0.78 -0.55 2.10 -1.24 -1.49 117.51 117.90 1m6c h ILE 107 Ca 0.25 -1.83 -0.01 0.00 1.08 0.00 0.00 64.86 64.36 1m6c h ILE 107 Cb 0.00 1.98 -0.04 0.00 -1.09 0.00 0.00 36.82 37.67 1m6c h ILE 107 CO -0.04 0.52 0.47 0.28 -1.08 0.00 0.00 178.15 178.29 1m6c h SER 108 N 0.01 0.95 -0.87 2.19 0.02 -0.90 0.11 113.55 115.06 1m6c h SER 108 Ca -0.00 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1m6c h SER 108 Cb 0.95 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 1m6c h SER 108 CO 0.07 0.74 0.45 -0.33 -1.14 0.00 0.00 176.83 176.62 1m6c h GLU 109 N 1.07 1.24 -0.42 3.45 5.08 -1.11 -1.84 114.58 122.06 1m6c h GLU 109 Ca 0.28 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 1m6c h GLU 109 Cb -0.03 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 1m6c h GLU 109 CO -0.05 0.93 -0.28 0.00 -1.00 0.00 0.00 179.01 178.61 1m6c h ALA 110 N 1.25 0.70 -0.47 3.43 0.00 -0.72 0.33 119.26 123.78 1m6c h ALA 110 Ca 0.30 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1m6c h ALA 110 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1m6c h ALA 110 CO -0.04 0.67 0.28 0.82 0.00 0.00 0.00 179.25 180.97 1m6c h ILE 111 N 0.78 1.15 -0.25 0.00 2.04 -0.45 -0.05 117.51 120.73 1m6c h ILE 111 Ca 0.09 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1m6c h ILE 111 Cb 0.85 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1m6c h ILE 111 CO 0.07 0.16 0.14 0.40 0.00 0.00 0.00 178.15 178.92 1m6c h ILE 112 N 0.63 1.11 -0.93 -0.67 1.08 -1.06 -1.02 117.51 116.66 1m6c h ILE 112 Ca 0.17 -0.30 0.03 0.00 -0.39 0.00 0.00 64.86 64.37 1m6c h ILE 112 Cb 0.02 0.87 -0.05 0.00 -3.07 0.00 0.00 36.82 34.58 1m6c h ILE 112 CO -0.03 0.11 0.60 1.56 -0.69 0.00 0.00 178.15 179.71 1m6c h GLN 113 N 0.29 1.14 -0.47 2.37 4.20 -0.01 -0.26 115.11 122.37 1m6c h GLN 113 Ca 0.09 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1m6c h GLN 113 Cb 0.06 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 1m6c h GLN 113 CO -0.01 0.76 0.30 0.28 -0.67 0.00 0.00 178.83 179.48 1m6c h VAL 114 N 1.18 1.13 -0.56 -0.54 2.07 -0.69 -0.78 116.25 118.06 1m6c h VAL 114 Ca 0.37 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1m6c h VAL 114 Cb -0.01 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1m6c h VAL 114 CO -0.12 0.13 0.34 -0.07 0.02 0.00 0.00 177.57 177.88 1m6c h LEU 115 N 0.64 0.67 -0.65 2.57 3.38 -0.95 0.18 115.31 121.14 1m6c h LEU 115 Ca 0.17 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1m6c h LEU 115 Cb -0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1m6c h LEU 115 CO -0.03 0.53 0.10 -0.61 0.09 0.00 0.00 178.44 178.51 1m6c h GLN 116 N 0.76 1.09 -0.25 1.13 5.75 -0.96 0.12 115.11 122.74 1m6c h GLN 116 Ca 0.20 -0.30 -0.16 0.00 -0.15 0.00 0.00 58.65 58.25 1m6c h GLN 116 Cb -0.02 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 1m6c h GLN 116 CO -0.04 1.01 -0.48 1.03 -2.65 0.00 0.00 178.83 177.70 1m6c h SER 117 N 1.01 0.75 0.79 -0.69 0.87 -0.92 -2.97 113.55 112.38 1m6c h SER 117 Ca 0.20 -0.37 -0.15 0.00 -1.23 0.00 0.00 61.79 60.24 1m6c h SER 117 Cb 0.45 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1m6c h SER 117 CO 0.01 1.11 -1.30 0.11 -0.53 0.00 0.00 176.83 176.23 1m6c h LYS 118 N 0.54 0.00 -1.53 2.24 1.57 -0.89 -3.41 116.57 115.10 1m6c h LYS 118 Ca 0.03 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.37 1m6c h LYS 118 Cb 1.04 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.94 1m6c h LYS 118 CO 0.10 0.28 -1.14 0.72 -0.57 0.00 0.00 179.45 178.84 1m6c n HIS 119 N -2.90 1.05 -0.35 -1.35 8.25 0.39 -4.93 115.22 115.38 1m6c n HIS 119 Ca -0.08 -3.31 0.09 0.00 -0.26 0.00 0.00 57.72 54.15 1m6c n HIS 119 Cb 0.81 -0.38 0.26 0.00 1.12 0.00 0.00 29.99 31.79 1m6c n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1m6c h PRO 120 N 2.97 0.84 0.00 -0.41 0.13 -1.67 0.15 132.00 134.00 1m6c h PRO 120 Ca 0.02 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.97 1m6c h PRO 120 Cb 1.04 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 1m6c h PRO 120 CO 0.54 0.55 -0.62 0.78 -0.23 0.00 0.00 178.00 179.03 1m6c h GLY 121 N 0.86 0.00 0.04 1.56 0.00 -1.92 -3.04 103.07 100.57 1m6c h GLY 121 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1m6c h GLY 121 CO -0.31 0.00 -0.39 1.22 0.00 0.00 0.00 176.54 177.06 1m6c n ASP 122 N -3.71 1.18 -3.11 0.19 8.00 -0.50 -4.54 116.55 114.06 1m6c n ASP 122 Ca -0.01 -0.95 -0.26 0.00 0.71 0.00 0.00 54.79 54.27 1m6c n ASP 122 Cb 0.63 0.29 -0.05 0.00 -0.02 0.00 0.00 41.12 41.97 1m6c n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1m6c n PHE 123 N -0.68 3.52 -1.12 1.24 7.35 0.39 -4.88 117.46 123.28 1m6c n PHE 123 Ca 0.10 -4.02 -0.20 0.00 -0.76 0.00 0.00 57.45 52.57 1m6c n PHE 123 Cb 0.37 -0.50 0.16 0.00 0.35 0.00 0.00 39.48 39.86 1m6c n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1m6c n GLY 124 N 0.18 -2.26 0.18 7.13 0.00 -1.26 -4.54 105.19 104.62 1m6c n GLY 124 Ca 0.30 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.72 1m6c n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m6c h ALA 125 N -2.30 0.50 -0.56 4.61 0.00 -1.97 -0.19 119.26 119.35 1m6c h ALA 125 Ca -0.29 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1m6c h ALA 125 Cb 0.85 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1m6c h ALA 125 CO 0.19 -0.25 -0.09 -0.44 0.00 0.00 0.00 179.25 178.67 1m6c h ASP 126 N 0.31 1.04 -0.45 0.00 5.19 -2.00 -2.17 116.42 118.34 1m6c h ASP 126 Ca 0.20 -0.34 -0.09 0.00 -0.62 0.00 0.00 57.03 56.18 1m6c h ASP 126 Cb 0.19 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 1m6c h ASP 126 CO -0.21 1.14 -0.07 0.00 -3.12 0.00 0.00 179.24 176.98 1m6c h ALA 127 N 0.94 0.62 -0.40 3.45 0.00 -1.83 -1.64 119.26 120.39 1m6c h ALA 127 Ca 0.15 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1m6c h ALA 127 Cb 0.66 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1m6c h ALA 127 CO 0.05 0.48 0.24 0.37 0.00 0.00 0.00 179.25 180.38 1m6c h GLN 128 N 0.68 0.46 -0.52 0.00 -0.00 -1.00 0.08 115.11 114.82 1m6c h GLN 128 Ca 0.12 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.74 1m6c h GLN 128 Cb 0.60 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.95 1m6c h GLN 128 CO 0.04 0.31 0.31 0.78 0.00 0.00 0.00 178.83 180.26 1m6c h GLY 129 N 0.48 0.76 1.16 2.39 0.00 -1.22 -0.35 103.07 106.29 1m6c h GLY 129 Ca 0.16 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 1m6c h GLY 129 CO -0.07 0.31 -0.14 0.00 0.00 0.00 0.00 176.54 176.64 1m6c h ALA 130 N 1.15 0.79 -0.47 3.60 0.00 -1.08 -1.84 119.26 121.40 1m6c h ALA 130 Ca 0.19 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1m6c h ALA 130 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1m6c h ALA 130 CO -0.03 0.66 -0.07 1.98 0.00 0.00 0.00 179.25 181.79 1m6c h MET 131 N 0.86 0.83 -0.63 0.00 1.85 -0.85 0.10 114.93 117.09 1m6c h MET 131 Ca 0.13 -0.26 0.00 0.00 -0.61 0.00 0.00 59.70 58.96 1m6c h MET 131 Cb 0.70 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.62 1m6c h MET 131 CO 0.05 0.87 0.39 1.03 -0.40 0.00 0.00 176.91 178.86 1m6c h SER 132 N 0.76 0.74 -0.56 1.39 0.87 -0.90 -1.09 113.55 114.75 1m6c h SER 132 Ca 0.13 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 1m6c h SER 132 Cb 0.55 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 1m6c h SER 132 CO 0.03 0.56 0.16 0.11 -0.53 0.00 0.00 176.83 177.16 1m6c h LYS 133 N 0.85 0.94 -0.50 2.24 1.57 -0.82 0.03 116.57 120.87 1m6c h LYS 133 Ca 0.23 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1m6c h LYS 133 Cb -0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1m6c h LYS 133 CO -0.05 0.83 0.11 0.00 -0.57 0.00 0.00 179.45 179.77 1m6c h ALA 134 N 1.27 0.66 -0.10 3.86 0.00 -0.29 0.23 119.26 124.90 1m6c h ALA 134 Ca 0.20 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1m6c h ALA 134 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1m6c h ALA 134 CO -0.00 0.37 -0.64 -0.07 0.00 0.00 0.00 179.25 178.90 1m6c h LEU 135 N 0.70 0.43 -0.48 0.00 3.38 -1.09 -0.05 115.31 118.19 1m6c h LEU 135 Ca 0.16 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1m6c h LEU 135 Cb 0.35 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1m6c h LEU 135 CO 0.00 0.96 0.09 -0.08 0.09 0.00 0.00 178.44 179.50 1m6c h GLU 136 N 0.27 0.78 -0.23 1.13 4.81 -0.82 0.46 114.58 120.99 1m6c h GLU 136 Ca -0.01 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1m6c h GLU 136 Cb 1.18 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1m6c h GLU 136 CO 0.11 0.78 0.13 1.25 -0.73 0.00 0.00 179.01 180.55 1m6c h LEU 137 N 0.66 0.20 -0.35 1.64 5.85 -0.25 -0.07 115.31 123.01 1m6c h LEU 137 Ca 0.15 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1m6c h LEU 137 Cb 0.37 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1m6c h LEU 137 CO 0.01 0.15 0.05 0.15 -0.34 0.00 0.00 178.44 178.46 1m6c h PHE 138 N 0.27 0.08 -0.02 1.25 3.57 -0.69 -1.32 116.94 120.08 1m6c h PHE 138 Ca 0.09 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1m6c h PHE 138 Cb 0.00 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1m6c h PHE 138 CO -0.08 -0.00 0.01 0.00 -2.23 0.00 0.00 178.31 176.00 1m6c h ARG 139 N 0.16 0.02 -0.99 1.11 3.08 -0.40 0.35 114.38 117.72 1m6c h ARG 139 Ca 0.16 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.29 1m6c h ARG 139 Cb 0.20 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.17 1m6c h ARG 139 CO -0.23 0.10 0.64 -0.91 -1.07 0.00 0.00 179.97 178.50 1m6c h ASN 140 N -0.06 0.99 0.64 7.04 -0.26 -0.88 0.21 115.58 123.25 1m6c h ASN 140 Ca 0.01 0.02 -0.18 0.00 -0.56 0.00 0.00 56.30 55.58 1m6c h ASN 140 Cb 0.09 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 1m6c h ASN 140 CO -0.00 0.61 -0.82 0.44 -1.06 0.00 0.00 177.43 176.60 1m6c h ASP 141 N 1.11 0.16 -0.49 5.81 3.32 -0.85 -1.93 116.42 123.55 1m6c h ASP 141 Ca 0.44 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 57.27 1m6c h ASP 141 Cb 0.24 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1m6c h ASP 141 CO -0.19 0.91 -0.08 0.24 -1.72 0.00 0.00 179.24 178.41 1m6c h MET 142 N 0.07 0.92 -0.62 3.56 2.86 0.18 -2.06 114.93 119.84 1m6c h MET 142 Ca -0.03 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.27 1m6c h MET 142 Cb 1.43 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 33.00 1m6c h MET 142 CO 0.12 0.99 0.36 0.00 1.06 0.00 0.00 176.91 179.43 1m6c h ALA 143 N 0.90 0.79 -0.53 6.32 0.00 -0.32 -0.99 119.26 125.42 1m6c h ALA 143 Ca 0.13 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1m6c h ALA 143 Cb 0.62 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1m6c h ALA 143 CO 0.04 0.28 -0.07 0.00 0.00 0.00 0.00 179.25 179.51 1m6c h ALA 144 N 1.18 0.72 -0.46 0.00 0.00 -1.26 -1.53 119.26 117.91 1m6c h ALA 144 Ca 0.22 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1m6c h ALA 144 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1m6c h ALA 144 CO -0.04 0.60 -0.23 0.87 0.00 0.00 0.00 179.25 180.45 1m6c h LYS 145 N 0.85 0.97 -0.56 0.00 1.79 -1.19 -2.27 116.57 116.16 1m6c h LYS 145 Ca 0.14 -0.42 0.08 0.00 -2.18 0.00 0.00 60.65 58.28 1m6c h LYS 145 Cb 0.62 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.17 1m6c h LYS 145 CO 0.04 1.09 0.19 1.88 -1.08 0.00 0.00 179.45 181.57 1m6c h TYR 146 N 0.83 0.34 -0.64 -1.35 -1.99 -0.75 -2.21 116.97 111.19 1m6c h TYR 146 Ca 0.10 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.86 1m6c h TYR 146 Cb 0.81 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 39.44 1m6c h TYR 146 CO 0.05 0.09 0.40 0.87 -0.00 0.00 0.00 178.16 179.57 1m6c h LYS 147 N 0.37 0.86 -0.52 4.88 1.57 -0.82 0.16 116.57 123.07 1m6c h LYS 147 Ca 0.28 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.03 1m6c h LYS 147 Cb 0.33 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1m6c h LYS 147 CO -0.29 0.61 0.35 1.49 -0.57 0.00 0.00 179.45 181.04 1m6c h GLU 148 N 0.87 0.52 -0.01 3.15 4.81 -0.97 -2.20 114.58 120.74 1m6c h GLU 148 Ca 0.23 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1m6c h GLU 148 Cb -0.04 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.22 1m6c h GLU 148 CO -0.05 0.34 -0.07 1.28 -0.73 0.00 0.00 179.01 179.79 1m6c n LEU 149 N -4.47 0.78 0.00 1.64 4.77 -0.87 -4.91 117.00 113.93 1m6c n LEU 149 Ca 0.07 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1m6c n LEU 149 Cb 0.20 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1m6c n LEU 149 CO 0.35 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1m6c n GLY 150 N 1.19 0.73 3.85 -0.72 0.00 -0.83 -5.08 105.19 104.34 1m6c n GLY 150 Ca 0.18 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 1m6c n GLY 150 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1m6c s PHE 151 N -2.00 2.11 -0.06 1.61 0.08 0.54 -5.00 117.98 115.27 1m6c s PHE 151 Ca 0.00 -0.71 -0.30 0.00 0.12 0.00 0.00 56.93 56.04 1m6c s PHE 151 Cb 0.00 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.47 1m6c s PHE 151 CO 0.00 -0.19 1.03 -1.14 -0.10 0.00 0.00 175.22 174.82 1m6c s GLN 152 N -4.13 4.46 0.00 0.44 2.00 -1.26 -3.35 119.66 117.82 1m6c s GLN 152 Ca 0.37 1.45 0.23 0.00 -2.00 0.00 0.00 55.36 55.41 1m6c s GLN 152 Cb -0.01 -3.51 0.18 0.00 0.80 0.00 0.00 33.01 30.48 1m6c s GLN 152 CO 0.22 -0.24 1.23 0.41 -0.50 0.00 0.00 175.29 176.41