#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgq n SER 28 N 0.00 1.31 -1.18 8.00 3.41 -1.26 -4.87 113.62 119.02 3hgq n SER 28 Ca 0.00 -1.55 -0.13 0.00 -0.26 0.00 0.00 58.87 56.93 3hgq n SER 28 Cb 0.00 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 63.86 3hgq n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hgq n GLY 29 N 1.10 0.84 2.76 5.00 0.00 -1.26 -4.96 105.19 108.67 3hgq n GLY 29 Ca 0.18 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 3hgq n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hgq s ASP 30 N -2.70 0.97 0.27 1.61 -1.08 -1.26 -1.52 116.67 112.96 3hgq s ASP 30 Ca 0.00 -1.67 0.10 0.00 -0.52 0.00 0.00 52.55 50.46 3hgq s ASP 30 Cb 0.00 0.61 -0.04 0.00 -1.46 0.00 0.00 42.92 42.02 3hgq s ASP 30 CO 0.00 -0.24 -0.06 -0.31 0.52 0.00 0.00 175.17 175.08 3hgq s TYR 31 N 1.31 2.58 0.10 -5.34 2.02 0.09 -5.00 117.35 113.11 3hgq s TYR 31 Ca 0.19 -0.25 0.04 0.00 -0.37 0.00 0.00 57.07 56.67 3hgq s TYR 31 Cb -0.13 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.24 3hgq s TYR 31 CO -0.03 0.64 0.07 1.67 -1.57 0.00 0.00 175.55 176.33 3hgq s TRP 32 N -2.34 3.15 -0.39 2.71 1.48 -1.26 -0.74 118.94 121.54 3hgq s TRP 32 Ca 0.31 0.04 0.02 0.00 -1.06 0.00 0.00 56.10 55.41 3hgq s TRP 32 Cb -0.06 -1.59 0.12 0.00 -1.16 0.00 0.00 33.47 30.78 3hgq s TRP 32 CO 0.18 0.51 0.16 -1.17 -4.06 0.00 0.00 176.95 172.58 3hgq s LEU 33 N -2.49 3.21 0.55 -4.66 2.96 0.13 -4.81 118.68 113.56 3hgq s LEU 33 Ca 0.29 -2.28 -0.21 0.00 -0.22 0.00 0.00 54.13 51.70 3hgq s LEU 33 Cb -0.12 -1.19 -0.05 0.00 0.50 0.00 0.00 46.19 45.33 3hgq s LEU 33 CO 0.22 -0.33 1.28 -2.65 -1.32 0.00 0.00 176.35 173.55 3hgq n PRO 34 N 4.03 1.55 -4.12 0.98 -0.02 -1.25 -1.89 135.00 134.27 3hgq n PRO 34 Ca 0.04 0.57 -0.13 0.00 -2.02 0.00 0.00 63.50 61.96 3hgq n PRO 34 Cb 0.38 -2.49 -0.11 0.00 -0.02 0.00 0.00 33.50 31.26 3hgq n PRO 34 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hgq s THR 35 N -1.32 0.71 0.00 3.45 -4.23 0.24 -4.79 115.64 109.70 3hgq s THR 35 Ca 0.72 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 3hgq s THR 35 Cb -0.43 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.34 3hgq s THR 35 CO 0.49 -0.53 0.00 0.35 -0.54 0.00 0.00 174.62 174.39 3hgq n THR 36 N 0.88 0.00 -4.29 3.99 -2.24 -1.26 -2.58 114.28 108.79 3hgq n THR 36 Ca -0.19 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.34 3hgq n THR 36 Cb 0.57 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.71 3hgq n THR 36 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hgq s SER 38 N -1.00 4.41 0.27 3.42 1.04 -1.26 -3.81 113.70 116.77 3hgq s SER 38 Ca 0.00 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.84 3hgq s SER 38 Cb 0.00 -0.79 0.57 0.00 0.10 0.00 0.00 66.02 65.90 3hgq s SER 38 CO 0.00 0.06 1.76 0.25 0.98 0.00 0.00 173.24 176.30 3hgq h LEU 39 N 2.48 0.57 -0.49 2.42 5.85 -1.95 0.05 115.31 124.24 3hgq h LEU 39 Ca -0.46 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.29 3hgq h LEU 39 Cb 1.22 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 3hgq h LEU 39 CO 0.57 0.23 0.05 0.22 -0.34 0.00 0.00 178.44 179.17 3hgq h TYR 40 N 0.65 0.89 -0.76 1.25 3.20 -1.97 -1.00 116.97 119.23 3hgq h TYR 40 Ca 0.49 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 3hgq h TYR 40 Cb 0.70 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 3hgq h TYR 40 CO -0.08 0.83 0.42 1.96 -1.64 0.00 0.00 178.16 179.65 3hgq h GLN 41 N 0.70 1.05 0.80 1.82 4.20 -1.46 -0.30 115.11 121.91 3hgq h GLN 41 Ca 0.14 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3hgq h GLN 41 Cb 0.44 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.02 3hgq h GLN 41 CO 0.02 0.76 -0.38 0.87 -0.67 0.00 0.00 178.83 179.42 3hgq h LYS 42 N 1.05 -1.04 0.00 1.46 1.57 -0.57 -2.32 116.57 116.73 3hgq h LYS 42 Ca 0.27 0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 59.09 3hgq h LYS 42 Cb 0.02 0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 3hgq h LYS 42 CO -0.04 -0.68 -0.12 1.49 -0.57 0.00 0.00 179.45 179.52 3hgq h GLU 43 N -1.24 0.00 0.34 3.15 4.57 -1.08 -0.54 114.58 119.78 3hgq h GLU 43 Ca -0.11 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 3hgq h GLU 43 Cb 0.83 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 3hgq h GLU 43 CO 0.18 0.12 -0.16 -0.07 -1.18 0.00 0.00 179.01 177.90 3hgq h LEU 44 N 0.00 -0.39 -0.35 1.64 3.38 -1.01 -0.63 115.31 117.95 3hgq h LEU 44 Ca -0.00 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3hgq h LEU 44 Cb 0.32 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 3hgq h LEU 44 CO 0.02 -0.16 -0.00 0.74 0.09 0.00 0.00 178.44 179.12 3hgq h THR 45 N -0.60 0.73 -0.96 0.22 2.02 -0.74 0.13 112.91 113.71 3hgq h THR 45 Ca -0.05 -0.03 0.17 0.00 0.77 0.00 0.00 66.41 67.27 3hgq h THR 45 Cb 0.44 0.63 -0.10 0.00 -1.74 0.00 0.00 68.15 67.38 3hgq h THR 45 CO 0.08 0.02 0.56 -0.78 0.37 0.00 0.00 175.52 175.76 3hgq h ASP 46 N 0.09 0.73 -0.06 4.18 -0.00 -1.06 0.11 116.42 120.40 3hgq h ASP 46 Ca 0.17 0.09 -0.02 0.00 -0.00 0.00 0.00 57.03 57.28 3hgq h ASP 46 Cb 0.24 -0.04 -0.00 0.00 -0.00 0.00 0.00 39.33 39.53 3hgq h ASP 46 CO -0.29 0.28 -0.02 1.56 -0.00 0.00 0.00 179.24 180.77 3hgq h GLN 47 N 0.75 0.13 -0.86 0.28 4.20 0.18 -1.87 115.11 117.91 3hgq h GLN 47 Ca 0.54 -0.05 0.17 0.00 0.06 0.00 0.00 58.65 59.37 3hgq h GLN 47 Cb 0.78 -0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.45 3hgq h GLN 47 CO -0.36 0.47 0.42 0.82 -0.67 0.00 0.00 178.83 179.51 3hgq h ILE 48 N -0.22 0.65 0.09 2.54 2.04 0.56 0.63 117.51 123.79 3hgq h ILE 48 Ca 0.02 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 3hgq h ILE 48 Cb 0.42 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3hgq h ILE 48 CO 0.01 0.10 -0.04 0.58 0.00 0.00 0.00 178.15 178.80 3hgq h VAL 49 N 0.55 1.07 -0.86 1.67 2.07 -0.95 -2.78 116.25 117.02 3hgq h VAL 49 Ca 0.49 -0.56 0.18 0.00 0.82 0.00 0.00 66.70 67.63 3hgq h VAL 49 Cb 0.78 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 3hgq h VAL 49 CO -0.41 0.14 0.57 0.28 0.02 0.00 0.00 177.57 178.16 3hgq h SER 50 N -0.37 0.46 0.16 0.57 0.02 -0.41 -1.52 113.55 112.46 3hgq h SER 50 Ca -0.01 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3hgq h SER 50 Cb 0.32 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3hgq h SER 50 CO 0.02 0.21 -0.08 0.25 -1.14 0.00 0.00 176.83 176.09 3hgq h LEU 51 N 0.48 -0.19 -1.64 5.07 5.85 -0.66 -2.32 115.31 121.90 3hgq h LEU 51 Ca 0.44 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.17 3hgq h LEU 51 Cb 0.98 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3hgq h LEU 51 CO -0.17 -0.13 0.00 1.41 -0.34 0.00 0.00 178.44 179.21 3hgq n HIS 52 N -5.19 0.59 -0.12 1.25 8.25 -0.70 -4.57 115.22 114.74 3hgq n HIS 52 Ca -0.09 -0.21 -0.09 0.00 -0.26 0.00 0.00 57.72 57.07 3hgq n HIS 52 Cb 0.11 -0.19 -0.07 0.00 1.12 0.00 0.00 29.99 30.96 3hgq n HIS 52 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3hgq h TYR 53 N 1.25 -1.18 -0.45 4.41 3.20 -0.72 0.20 116.97 123.68 3hgq h TYR 53 Ca 0.00 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3hgq h TYR 53 Cb 0.86 0.56 -0.02 0.00 1.54 0.00 0.00 36.73 39.66 3hgq h TYR 53 CO 0.31 -0.32 0.20 1.03 -1.64 0.00 0.00 178.16 177.74 3hgq h SER 54 N -0.24 0.60 -0.82 -2.11 0.87 -1.83 -2.28 113.55 107.74 3hgq h SER 54 Ca 0.06 -0.14 0.11 0.00 -1.23 0.00 0.00 61.79 60.58 3hgq h SER 54 Cb 0.39 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.14 3hgq h SER 54 CO -0.44 0.58 0.53 0.44 -0.53 0.00 0.00 176.83 177.41 3hgq h ASP 55 N 0.58 0.64 0.41 6.23 3.32 -1.74 -1.06 116.42 124.81 3hgq h ASP 55 Ca 0.15 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3hgq h ASP 55 Cb 0.15 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3hgq h ASP 55 CO -0.02 0.37 -0.20 0.40 -1.72 0.00 0.00 179.24 178.07 3hgq h ILE 56 N 0.70 0.58 -1.00 0.35 2.04 -0.05 -0.87 117.51 119.27 3hgq h ILE 56 Ca 0.39 -0.31 0.15 0.00 1.00 0.00 0.00 64.86 66.08 3hgq h ILE 56 Cb 0.53 0.73 -0.09 0.00 -0.74 0.00 0.00 36.82 37.25 3hgq h ILE 56 CO -0.15 0.06 0.62 -0.07 0.00 0.00 0.00 178.15 178.61 3hgq h LEU 57 N -0.73 0.86 0.48 1.44 3.38 -1.12 -1.53 115.31 118.08 3hgq h LEU 57 Ca -0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3hgq h LEU 57 Cb 0.52 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hgq h LEU 57 CO 0.09 0.41 -0.23 -0.09 0.09 0.00 0.00 178.44 178.71 3hgq h ARG 58 N 0.90 -0.63 -0.15 1.13 9.65 -1.05 0.15 114.38 124.38 3hgq h ARG 58 Ca 0.52 0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.49 3hgq h ARG 58 Cb 0.65 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 3hgq h ARG 58 CO -0.30 -0.42 0.23 -0.92 2.80 0.00 0.00 179.97 181.37 3hgq h TYR 59 N -0.65 0.00 0.00 2.20 5.03 -0.16 -1.53 116.97 121.86 3hgq h TYR 59 Ca -0.07 0.00 -0.22 0.00 2.58 0.00 0.00 58.73 61.02 3hgq h TYR 59 Cb 0.50 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.74 3hgq h TYR 59 CO -0.04 0.00 -2.22 1.19 -1.32 0.00 0.00 178.16 175.77 3hgq n PHE 60 N -3.53 0.00 0.00 -3.82 3.72 -0.89 -4.55 117.46 108.39 3hgq n PHE 60 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3hgq n PHE 60 Cb 0.34 -0.80 0.00 0.00 -0.94 0.00 0.00 39.48 38.09 3hgq n PHE 60 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3hgq n GLU 61 N -2.55 0.00 -1.09 -1.08 2.13 0.02 -3.98 120.64 114.10 3hgq n GLU 61 Ca -0.21 0.10 -0.42 0.00 0.66 0.00 0.00 57.16 57.28 3hgq n GLU 61 Cb 0.92 -0.90 -0.06 0.00 0.27 0.00 0.00 31.44 31.67 3hgq n GLU 61 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3hgq n THR 62 N -0.79 1.75 -2.01 6.31 -2.24 -1.11 -4.92 114.28 111.27 3hgq n THR 62 Ca 0.00 -1.49 -0.35 0.00 -2.27 0.00 0.00 64.05 59.94 3hgq n THR 62 Cb 0.00 -2.29 0.03 0.00 -2.10 0.00 0.00 70.33 65.97 3hgq n THR 62 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hgq s SER 63 N 5.01 5.34 0.00 3.42 1.04 -1.26 -2.88 113.70 124.38 3hgq s SER 63 Ca 0.57 2.18 0.00 0.00 0.48 0.00 0.00 55.95 59.18 3hgq s SER 63 Cb 0.14 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.69 3hgq s SER 63 CO 0.12 -1.48 0.00 1.57 0.98 0.00 0.00 173.24 174.43 3hgq n HIS 64 N -1.77 0.00 0.11 5.02 -0.00 -1.26 -4.54 115.22 112.78 3hgq n HIS 64 Ca 0.12 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.70 3hgq n HIS 64 Cb 0.51 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.43 3hgq n HIS 64 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.34 175.42 3hgq h TYR 65 N 0.00 -1.16 -3.80 1.57 3.20 -1.97 -3.48 116.97 111.32 3hgq h TYR 65 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3hgq h TYR 65 Cb 0.00 0.50 0.00 0.00 1.54 0.00 0.00 36.73 38.77 3hgq h TYR 65 CO 0.00 -0.51 -0.26 0.36 -1.64 0.00 0.00 178.16 176.11 3hgq n LYS 66 N -5.46 -1.45 -3.58 1.82 2.85 -1.14 -4.98 118.16 106.22 3hgq n LYS 66 Ca -0.07 1.03 -0.29 0.00 -1.05 0.00 0.00 58.31 57.93 3hgq n LYS 66 Cb 0.38 -1.57 -0.04 0.00 -0.65 0.00 0.00 35.03 33.14 3hgq n LYS 66 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3hgq s GLU 67 N -0.15 3.60 0.17 -1.58 -1.05 -1.26 -4.99 118.70 113.44 3hgq s GLU 67 Ca 0.00 -0.13 -0.12 0.00 -0.15 0.00 0.00 54.97 54.57 3hgq s GLU 67 Cb 0.00 -2.78 0.08 0.00 -0.44 0.00 0.00 34.13 30.98 3hgq s GLU 67 CO 0.00 0.37 1.75 -0.44 0.95 0.00 0.00 175.26 177.89 3hgq h ASP 68 N 2.25 0.80 -0.47 0.83 3.32 -1.99 -1.72 116.42 119.43 3hgq h ASP 68 Ca -0.47 -0.15 0.08 0.00 0.02 0.00 0.00 57.03 56.52 3hgq h ASP 68 Cb 1.18 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 40.46 3hgq h ASP 68 CO 0.69 0.72 0.06 0.58 -1.72 0.00 0.00 179.24 179.58 3hgq h VAL 69 N 0.82 0.71 -0.52 -1.35 2.07 -1.99 -1.00 116.25 114.98 3hgq h VAL 69 Ca 0.20 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.61 3hgq h VAL 69 Cb 0.15 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3hgq h VAL 69 CO -0.02 0.03 0.15 0.40 0.02 0.00 0.00 177.57 178.15 3hgq h ILE 70 N 0.19 1.23 -0.05 4.57 1.08 -1.85 -1.29 117.51 121.38 3hgq h ILE 70 Ca 0.23 -0.80 0.04 0.00 -0.39 0.00 0.00 64.86 63.94 3hgq h ILE 70 Cb 0.32 0.77 -0.05 0.00 -3.07 0.00 0.00 36.82 34.80 3hgq h ILE 70 CO -0.33 0.29 -0.21 -0.07 -0.69 0.00 0.00 178.15 177.14 3hgq h LEU 71 N 0.71 -0.63 -1.58 1.44 3.38 -0.83 -1.13 115.31 116.67 3hgq h LEU 71 Ca 0.17 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.35 3hgq h LEU 71 Cb 0.29 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3hgq h LEU 71 CO -0.00 -0.27 0.46 -0.33 0.09 0.00 0.00 178.44 178.39 3hgq h GLU 72 N -0.31 0.44 -0.23 1.13 4.39 -0.97 0.22 114.58 119.25 3hgq h GLU 72 Ca 0.08 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3hgq h GLU 72 Cb 0.41 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3hgq h GLU 72 CO -0.23 0.29 0.00 0.45 -1.16 0.00 0.00 179.01 178.36 3hgq n SER 73 N -4.48 0.23 0.00 1.42 2.88 -0.43 -0.93 113.62 112.32 3hgq n SER 73 Ca 0.12 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 3hgq n SER 73 Cb 0.43 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 3hgq n SER 73 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3hgq n LYS 75 N 0.31 0.00 -0.47 -1.46 4.81 0.78 -4.52 118.16 117.60 3hgq n LYS 75 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3hgq n LYS 75 Cb 0.06 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.10 3hgq n LYS 75 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3hgq n THR 76 N 0.00 1.87 0.00 3.15 -2.24 -0.11 -1.25 114.28 115.70 3hgq n THR 76 Ca 0.00 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3hgq n THR 76 Cb 0.00 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 3hgq n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hgq h LEU 79 N 0.00 -0.42 -1.37 0.00 5.85 -1.56 -1.16 115.31 116.65 3hgq h LEU 79 Ca 0.00 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3hgq h LEU 79 Cb 0.00 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3hgq h LEU 79 CO 0.00 -0.28 0.44 0.78 -0.34 0.00 0.00 178.44 179.04 3hgq h ASN 80 N -0.46 0.72 -0.61 1.25 2.35 -1.08 -1.15 115.58 116.61 3hgq h ASN 80 Ca -0.04 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3hgq h ASN 80 Cb 0.37 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3hgq h ASN 80 CO 0.06 0.51 0.27 1.23 -1.65 0.00 0.00 177.43 177.85 3hgq h GLY 81 N 0.85 0.96 0.91 2.83 0.00 -1.74 -2.42 103.07 104.46 3hgq h GLY 81 Ca 0.26 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 47.10 3hgq h GLY 81 CO -0.06 0.48 0.26 1.76 0.00 0.00 0.00 176.54 178.98 3hgq h SER 82 N 0.85 0.43 0.25 0.19 0.02 -0.03 -1.41 113.55 113.84 3hgq h SER 82 Ca 0.21 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3hgq h SER 82 Cb 0.16 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3hgq h SER 82 CO -0.02 0.31 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.71 3hgq h LEU 83 N 0.53 -0.50 -1.25 5.07 3.38 -1.20 -2.61 115.31 118.73 3hgq h LEU 83 Ca 0.17 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.27 3hgq h LEU 83 Cb 0.00 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 3hgq h LEU 83 CO -0.08 -0.30 0.55 0.58 0.09 0.00 0.00 178.44 179.28 3hgq h VAL 84 N -0.45 0.98 -0.10 1.22 2.07 -1.29 0.35 116.25 119.03 3hgq h VAL 84 Ca -0.02 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3hgq h VAL 84 Cb 0.40 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3hgq h VAL 84 CO -0.01 0.15 0.06 0.00 0.02 0.00 0.00 177.57 177.80 3hgq h ALA 85 N 1.57 1.92 0.00 1.67 0.00 -0.87 -2.78 119.26 120.77 3hgq h ALA 85 Ca 0.38 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.92 3hgq h ALA 85 Cb 0.37 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3hgq h ALA 85 CO -0.15 0.07 -2.36 0.25 0.00 0.00 0.00 179.25 177.06 3hgq n THR 86 N -4.52 1.36 -3.65 0.00 -2.24 -0.56 -4.59 114.28 100.09 3hgq n THR 86 Ca -0.02 -0.79 -0.02 0.00 -2.27 0.00 0.00 64.05 60.96 3hgq n THR 86 Cb 0.09 -0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 67.64 3hgq n THR 86 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3hgq s HIS 87 N -2.48 -0.33 0.49 4.78 5.65 0.11 -4.56 115.29 118.95 3hgq s HIS 87 Ca -0.13 0.69 0.20 0.00 0.25 0.00 0.00 55.06 56.07 3hgq s HIS 87 Cb 0.06 0.26 1.24 0.00 -1.18 0.00 0.00 32.58 32.96 3hgq s HIS 87 CO 0.77 -0.16 1.99 -1.35 -0.65 0.00 0.00 174.74 175.33 3hgq h PRO 88 N 5.23 0.17 0.00 2.88 0.11 -1.78 -1.01 132.00 137.60 3hgq h PRO 88 Ca -0.27 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 3hgq h PRO 88 Cb 1.18 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hgq h PRO 88 CO 0.20 0.11 -0.13 1.88 -0.21 0.00 0.00 178.00 179.85 3hgq h TYR 89 N 0.18 0.00 0.00 0.65 0.05 -1.92 0.29 116.97 116.22 3hgq h TYR 89 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.04 3hgq h TYR 89 Cb 0.80 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.54 3hgq h TYR 89 CO -0.00 0.13 0.00 -0.07 -1.05 0.00 0.00 178.16 177.17 3hgq h LEU 90 N 0.00 0.00 0.00 3.88 3.38 -1.47 -3.18 115.31 117.91 3hgq h LEU 90 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3hgq h LEU 90 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3hgq h LEU 90 CO 0.02 0.00 -1.21 -0.11 0.09 0.00 0.00 178.44 177.23 3hgq n LEU 91 N -2.34 0.00 -3.63 1.67 7.94 -0.38 -4.96 117.00 115.30 3hgq n LEU 91 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 3hgq n LEU 91 Cb 0.14 0.06 -0.15 0.00 0.53 0.00 0.00 43.42 43.99 3hgq n LEU 91 CO 0.15 0.06 -0.33 -0.63 -1.11 0.00 0.00 177.39 175.53 3hgq s ILE 92 N -2.12 0.35 0.26 1.96 1.01 -0.05 -5.00 121.20 117.61 3hgq s ILE 92 Ca -0.02 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.61 3hgq s ILE 92 Cb 0.01 -1.26 0.24 0.00 0.01 0.00 0.00 42.46 41.46 3hgq s ILE 92 CO 0.14 -0.67 1.76 0.44 0.00 0.00 0.00 174.94 176.60 3hgq h ASP 93 N 8.27 0.50 -0.19 3.58 5.19 -1.86 -3.41 116.42 128.50 3hgq h ASP 93 Ca -0.17 0.09 -0.19 0.00 -0.62 0.00 0.00 57.03 56.14 3hgq h ASP 93 Cb 1.02 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.54 3hgq h ASP 93 CO 0.45 0.21 0.18 1.41 -3.12 0.00 0.00 179.24 178.37 3hgq n HIS 94 N -4.88 0.38 -1.65 4.55 8.25 -1.26 -4.86 115.22 115.74 3hgq n HIS 94 Ca 0.16 0.25 -0.01 0.00 -0.26 0.00 0.00 57.72 57.86 3hgq n HIS 94 Cb 0.42 -0.51 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 3hgq n HIS 94 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3hgq n TYR 95 N 1.04 -0.85 -4.24 4.41 4.01 -1.26 -5.05 117.16 115.21 3hgq n TYR 95 Ca 0.08 0.50 -0.35 0.00 -0.16 0.00 0.00 57.90 57.97 3hgq n TYR 95 Cb -0.01 -2.00 -0.08 0.00 -0.31 0.00 0.00 39.34 36.93 3hgq n TYR 95 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 3hgq s PRO 97 N -1.03 3.10 0.40 -0.72 0.02 -1.26 -5.15 135.00 130.35 3hgq s PRO 97 Ca -0.05 -0.34 0.19 0.00 0.02 0.00 0.00 61.00 60.82 3hgq s PRO 97 Cb 0.00 -2.89 0.82 0.00 0.02 0.00 0.00 34.50 32.46 3hgq s PRO 97 CO 0.13 0.72 1.81 0.87 -0.33 0.00 0.00 177.00 180.20 3hgq h LYS 98 N 5.05 0.00 -5.75 5.54 1.57 -2.04 -3.41 116.57 117.53 3hgq h LYS 98 Ca -0.52 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.58 3hgq h LYS 98 Cb 1.20 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.20 3hgq h LYS 98 CO 0.56 0.33 -0.87 0.45 -0.57 0.00 0.00 179.45 179.34 3hgq s SER 99 N -6.46 3.19 0.00 0.86 0.15 -1.26 -5.01 113.70 105.17 3hgq s SER 99 Ca -0.01 -0.50 0.21 0.00 0.70 0.00 0.00 55.95 56.35 3hgq s SER 99 Cb 0.12 -1.09 0.59 0.00 -1.71 0.00 0.00 66.02 63.93 3hgq s SER 99 CO 0.67 0.21 1.49 0.18 1.20 0.00 0.00 173.24 177.00 3hgq n LEU 100 N 3.15 3.79 -0.07 3.45 4.77 -1.26 -4.41 117.00 126.43 3hgq n LEU 100 Ca -0.18 -1.99 -0.09 0.00 -0.03 0.00 0.00 56.01 53.73 3hgq n LEU 100 Cb 0.52 -0.44 -0.15 0.00 -2.33 0.00 0.00 43.42 41.02 3hgq n LEU 100 CO 0.27 0.94 -0.95 -0.38 -1.33 0.00 0.00 177.39 175.95 3hgq n ILE 101 N 1.47 1.40 -1.27 -0.08 5.41 -1.26 -4.75 119.36 120.28 3hgq n ILE 101 Ca 0.22 -0.83 -0.36 0.00 1.00 0.00 0.00 62.75 62.79 3hgq n ILE 101 Cb 0.59 -0.61 0.07 0.00 -0.71 0.00 0.00 39.64 38.98 3hgq n ILE 101 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3hgq n THR 102 N -2.82 1.88 -0.34 1.39 -2.24 -1.26 -4.84 114.28 106.06 3hgq n THR 102 Ca -0.27 -0.39 0.11 0.00 -2.27 0.00 0.00 64.05 61.22 3hgq n THR 102 Cb 1.10 -0.78 0.31 0.00 -2.10 0.00 0.00 70.33 68.86 3hgq n THR 102 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3hgq h ARG 103 N -0.35 0.80 0.00 -0.78 2.43 -1.98 -2.70 114.38 111.80 3hgq h ARG 103 Ca -0.46 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 3hgq h ARG 103 Cb 1.35 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3hgq h ARG 103 CO 0.43 0.53 -0.15 0.38 -1.51 0.00 0.00 179.97 179.65 3hgq h ASP 104 N 0.83 0.00 -0.20 -3.80 2.03 -1.98 -3.37 116.42 109.93 3hgq h ASP 104 Ca 0.52 0.00 0.06 0.00 -0.73 0.00 0.00 57.03 56.87 3hgq h ASP 104 Cb 0.72 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.15 3hgq h ASP 104 CO -0.29 0.15 -0.28 0.58 -1.03 0.00 0.00 179.24 178.37 3hgq h VAL 105 N 0.00 0.34 -0.72 4.15 2.07 -1.80 -2.30 116.25 117.98 3hgq h VAL 105 Ca -0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 3hgq h VAL 105 Cb 1.01 0.34 -0.13 0.00 -1.52 0.00 0.00 31.29 30.99 3hgq h VAL 105 CO 0.02 0.00 -0.09 -0.65 0.02 0.00 0.00 177.57 176.87 3hgq h PRO 106 N -0.31 0.05 -0.60 1.57 0.11 -1.75 0.12 132.00 131.19 3hgq h PRO 106 Ca 0.12 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 3hgq h PRO 106 Cb 0.50 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 3hgq h PRO 106 CO -0.38 0.03 0.01 0.00 -0.21 0.00 0.00 178.00 177.46 3hgq h ALA 107 N 1.70 0.89 -0.50 -0.75 0.00 -1.72 -2.37 119.26 116.51 3hgq h ALA 107 Ca 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hgq h ALA 107 Cb 0.61 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3hgq h ALA 107 CO -0.69 0.66 0.22 1.25 0.00 0.00 0.00 179.25 180.69 3hgq h HIS 108 N 0.95 0.74 -0.55 0.00 6.17 -0.50 -0.80 115.15 121.16 3hgq h HIS 108 Ca 0.17 -0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.19 3hgq h HIS 108 Cb 0.53 -0.23 -0.03 0.00 2.52 0.00 0.00 27.41 30.21 3hgq h HIS 108 CO 0.04 0.60 0.27 -0.07 0.71 0.00 0.00 177.93 179.47 3hgq h LEU 109 N 0.67 0.71 -0.92 0.26 3.38 -0.69 -2.75 115.31 115.96 3hgq h LEU 109 Ca 0.17 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3hgq h LEU 109 Cb 0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3hgq h LEU 109 CO -0.02 0.64 -0.06 0.00 0.09 0.00 0.00 178.44 179.09 3hgq h ALA 110 N 1.10 1.10 0.00 1.53 0.00 -1.21 -2.17 119.26 119.61 3hgq h ALA 110 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hgq h ALA 110 Cb 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hgq h ALA 110 CO -0.02 0.56 0.00 -1.91 0.00 0.00 0.00 179.25 177.88 3hgq n GLU 111 N -4.20 0.16 -0.04 0.00 2.13 -0.33 -2.87 120.64 115.50 3hgq n GLU 111 Ca 0.02 0.49 0.02 0.00 0.66 0.00 0.00 57.16 58.35 3hgq n GLU 111 Cb 0.32 -1.86 0.04 0.00 0.27 0.00 0.00 31.44 30.21 3hgq n GLU 111 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3hgq n ASN 112 N -2.17 1.92 -3.36 4.31 4.13 -0.83 -4.90 115.26 114.36 3hgq n ASN 112 Ca 0.01 -1.63 -0.07 0.00 1.68 0.00 0.00 54.58 54.57 3hgq n ASN 112 Cb 0.15 -0.05 -0.07 0.00 -1.54 0.00 0.00 39.78 38.27 3hgq n ASN 112 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3hgq s SER 113 N -0.71 -0.05 0.46 6.41 0.15 -1.14 -4.51 113.70 114.31 3hgq s SER 113 Ca 0.07 0.42 0.19 0.00 0.70 0.00 0.00 55.95 57.34 3hgq s SER 113 Cb 0.04 1.30 1.17 0.00 -1.71 0.00 0.00 66.02 66.82 3hgq s SER 113 CO 0.06 -0.29 1.93 1.23 1.20 0.00 0.00 173.24 177.37 3hgq h GLY 114 N 8.16 0.50 0.88 9.45 0.00 -1.77 -0.64 103.07 119.65 3hgq h GLY 114 Ca -0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 3hgq h GLY 114 CO 0.25 0.03 -0.02 1.70 0.00 0.00 0.00 176.54 178.51 3hgq h LYS 115 N 0.28 -0.04 -0.76 4.80 3.64 -1.81 -0.25 116.57 122.43 3hgq h LYS 115 Ca 0.36 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.77 3hgq h LYS 115 Cb 1.00 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 3hgq h LYS 115 CO -0.09 0.09 0.50 0.74 -2.27 0.00 0.00 179.45 178.42 3hgq h PHE 116 N -0.17 0.90 -0.53 1.91 0.05 -1.43 -0.65 116.94 117.02 3hgq h PHE 116 Ca -0.00 0.02 -0.07 0.00 3.82 0.00 0.00 57.97 61.74 3hgq h PHE 116 Cb 0.15 -0.30 -0.02 0.00 2.00 0.00 0.00 35.95 37.78 3hgq h PHE 116 CO -0.03 0.53 0.05 1.03 -0.18 0.00 0.00 178.31 179.71 3hgq h SER 117 N 0.94 0.88 0.20 2.17 0.87 -0.74 0.44 113.55 118.30 3hgq h SER 117 Ca 0.30 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3hgq h SER 117 Cb 0.03 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 3hgq h SER 117 CO -0.08 0.94 -0.09 0.58 -0.53 0.00 0.00 176.83 177.64 3hgq h VAL 118 N 0.78 0.86 -0.13 2.23 2.07 -0.69 -1.43 116.25 119.95 3hgq h VAL 118 Ca 0.16 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3hgq h VAL 118 Cb 0.46 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 3hgq h VAL 118 CO 0.02 0.07 -0.50 0.25 0.02 0.00 0.00 177.57 177.42 3hgq h LEU 119 N -0.40 -1.60 -0.77 2.57 5.85 -0.86 0.28 115.31 120.38 3hgq h LEU 119 Ca -0.03 0.19 0.18 0.00 0.84 0.00 0.00 57.88 59.06 3hgq h LEU 119 Cb 0.31 0.62 -0.12 0.00 0.37 0.00 0.00 40.66 41.84 3hgq h LEU 119 CO 0.04 -0.44 0.12 -0.09 -0.34 0.00 0.00 178.44 177.73 3hgq h ARG 120 N -0.53 0.19 -0.31 1.25 2.43 -0.91 0.32 114.38 116.81 3hgq h ARG 120 Ca 0.03 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3hgq h ARG 120 Cb 0.62 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 3hgq h ARG 120 CO -0.41 0.12 0.10 -0.44 -1.51 0.00 0.00 179.97 177.84 3hgq h ASP 121 N 0.19 0.11 0.44 -3.80 3.32 0.02 0.11 116.42 116.81 3hgq h ASP 121 Ca 0.44 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.51 3hgq h ASP 121 Cb 0.79 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 3hgq h ASP 121 CO -0.60 0.10 -0.38 0.25 -1.72 0.00 0.00 179.24 176.89 3hgq h LEU 122 N 0.24 -1.01 -1.99 1.55 6.46 0.27 -2.52 115.31 118.31 3hgq h LEU 122 Ca 0.14 0.08 0.04 0.00 -0.12 0.00 0.00 57.88 58.02 3hgq h LEU 122 Cb 0.12 0.33 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 3hgq h LEU 122 CO -0.15 -0.55 0.11 0.40 -0.62 0.00 0.00 178.44 177.64 3hgq h ILE 123 N -0.83 0.93 0.00 4.05 1.08 -0.31 0.14 117.51 122.57 3hgq h ILE 123 Ca -0.04 -0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.42 3hgq h ILE 123 Cb 0.72 0.91 -0.00 0.00 -3.07 0.00 0.00 36.82 35.38 3hgq h ILE 123 CO -0.03 0.00 -0.00 0.78 -0.69 0.00 0.00 178.15 178.21 3hgq h ASN 124 N 0.01 0.00 0.00 1.72 -0.26 -0.52 -0.31 115.58 116.23 3hgq h ASN 124 Ca 0.08 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.68 3hgq h ASN 124 Cb 0.29 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.53 3hgq h ASN 124 CO -0.00 0.00 -1.04 0.18 -1.06 0.00 0.00 177.43 175.51 3hgq n LEU 125 N -3.16 1.86 0.32 1.61 4.77 0.44 -4.44 117.00 118.39 3hgq n LEU 125 Ca -0.02 0.50 0.20 0.00 -0.03 0.00 0.00 56.01 56.65 3hgq n LEU 125 Cb 0.11 -0.89 1.04 0.00 -2.33 0.00 0.00 43.42 41.35 3hgq n LEU 125 CO 0.22 -0.07 1.12 1.62 -1.33 0.00 0.00 177.39 178.95 3hgq h VAL 126 N -1.00 0.12 0.00 4.08 3.04 -1.26 -1.86 116.25 119.36 3hgq h VAL 126 Ca -0.20 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.31 3hgq h VAL 126 Cb 0.96 1.14 -0.00 0.00 -2.01 0.00 0.00 31.29 31.38 3hgq h VAL 126 CO -0.12 0.01 -0.10 0.06 -1.01 0.00 0.00 177.57 176.41 3hgq h GLN 127 N 0.00 0.00 0.00 4.17 3.07 -1.27 -2.39 115.11 118.70 3hgq h GLN 127 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 3hgq h GLN 127 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.69 3hgq h GLN 127 CO 0.00 0.10 -0.15 0.93 0.09 0.00 0.00 178.83 179.80 3hgq h GLU 128 N 0.00 0.00 -6.66 0.06 4.39 -1.56 -3.35 114.58 107.46 3hgq h GLU 128 Ca -0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.23 3hgq h GLU 128 Cb 0.56 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.23 3hgq h GLU 128 CO 0.01 0.15 -0.10 0.71 -1.16 0.00 0.00 179.01 178.62 3hgq s TYR 129 N -3.94 3.35 -0.63 4.33 2.02 -0.90 -4.95 117.35 116.63 3hgq s TYR 129 Ca -0.01 0.34 -0.22 0.00 -0.37 0.00 0.00 57.07 56.80 3hgq s TYR 129 Cb 0.12 -2.17 0.07 0.00 -0.40 0.00 0.00 41.96 39.58 3hgq s TYR 129 CO 0.60 -0.19 0.91 -1.21 -1.57 0.00 0.00 175.55 174.09 3hgq s GLU 130 N -4.50 3.13 -0.01 -0.62 2.02 -1.26 -3.02 118.70 114.44 3hgq s GLU 130 Ca 0.45 -0.83 -0.22 0.00 0.02 0.00 0.00 54.97 54.39 3hgq s GLU 130 Cb -0.10 -4.21 0.05 0.00 0.10 0.00 0.00 34.13 29.97 3hgq s GLU 130 CO 0.38 -1.71 0.49 -0.08 0.02 0.00 0.00 175.26 174.36 3hgq s THR 131 N 3.80 0.03 -0.24 3.63 -1.32 -1.00 -4.98 115.64 115.56 3hgq s THR 131 Ca 0.21 -0.26 -0.08 0.00 -1.21 0.00 0.00 61.69 60.35 3hgq s THR 131 Cb -0.17 -0.87 -0.04 0.00 -1.51 0.00 0.00 72.50 69.91 3hgq s THR 131 CO 0.11 -0.14 0.09 -1.61 -2.21 0.00 0.00 174.62 170.86 3hgq s GLU 132 N -1.66 3.81 -0.10 7.08 0.41 -1.26 -1.36 118.70 125.62 3hgq s GLU 132 Ca -0.10 -0.40 0.04 0.00 -0.41 0.00 0.00 54.97 54.09 3hgq s GLU 132 Cb -0.02 -3.36 -0.00 0.00 -1.78 0.00 0.00 34.13 28.97 3hgq s GLU 132 CO 0.04 -0.05 -0.23 0.95 -0.49 0.00 0.00 175.26 175.49 3hgq s THR 133 N 1.27 2.18 0.06 3.63 -4.23 0.07 -1.52 115.64 117.09 3hgq s THR 133 Ca 0.05 -0.98 -0.06 0.00 -1.18 0.00 0.00 61.69 59.53 3hgq s THR 133 Cb -0.14 -1.84 -0.05 0.00 1.34 0.00 0.00 72.50 71.81 3hgq s THR 133 CO 0.04 0.56 0.30 0.00 -0.54 0.00 0.00 174.62 174.98 3hgq s ALA 134 N 0.33 3.84 -0.03 3.99 0.00 -1.26 -0.50 121.76 128.13 3hgq s ALA 134 Ca -0.18 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 3hgq s ALA 134 Cb -0.18 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 20.90 3hgq s ALA 134 CO 0.09 0.67 0.03 0.42 0.00 0.00 0.00 175.76 176.97 3hgq s ILE 135 N -1.43 -0.02 -0.10 0.00 1.01 0.54 -0.55 121.20 120.66 3hgq s ILE 135 Ca 0.32 0.26 0.01 0.00 0.00 0.00 0.00 60.65 61.25 3hgq s ILE 135 Cb -0.13 -0.16 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 3hgq s ILE 135 CO 0.20 0.14 -0.12 -0.69 0.00 0.00 0.00 174.94 174.46 3hgq s VAL 136 N 1.48 3.19 0.21 2.92 1.01 0.01 -0.24 120.40 128.98 3hgq s VAL 136 Ca -0.04 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 3hgq s VAL 136 Cb -0.13 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.95 3hgq s VAL 136 CO -0.03 0.55 0.48 0.00 0.00 0.00 0.00 175.10 176.10 3hgq s ARG 138 N -3.94 3.00 1.18 0.00 1.70 -1.26 -1.45 118.95 118.17 3hgq s ARG 138 Ca 0.15 1.95 -0.17 0.00 -0.47 0.00 0.00 55.73 57.19 3hgq s ARG 138 Cb -0.00 -2.02 0.27 0.00 -0.57 0.00 0.00 34.95 32.63 3hgq s ARG 138 CO 0.02 -1.22 1.07 -1.25 -1.08 0.00 0.00 175.30 172.85 3hgq s PRO 139 N -3.19 -1.02 1.86 3.89 0.04 -1.26 -4.44 135.00 130.87 3hgq s PRO 139 Ca 0.76 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.99 3hgq s PRO 139 Cb -0.34 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3hgq s PRO 139 CO 0.37 -3.63 0.00 0.41 0.04 0.00 0.00 177.00 174.19 3hgq n GLY 140 N -0.52 0.75 0.34 0.56 0.00 -1.26 -4.12 105.19 100.93 3hgq n GLY 140 Ca 0.10 -1.31 0.06 0.00 0.00 0.00 0.00 46.02 44.87 3hgq n GLY 140 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hgq h ARG 141 N 0.00 0.63 -0.89 1.61 2.43 -2.01 -2.75 114.38 113.41 3hgq h ARG 141 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3hgq h ARG 141 Cb 0.00 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3hgq h ARG 141 CO 0.00 0.42 0.00 2.41 -1.51 0.00 0.00 179.97 181.29 3hgq n THR 142 N -4.47 0.00 0.00 0.20 -1.04 -1.26 -0.80 114.28 106.91 3hgq n THR 142 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3hgq n THR 142 Cb 0.17 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 3hgq n THR 142 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3hgq n ASP 144 N 0.64 0.00 -0.30 8.00 8.00 -1.04 -0.75 116.55 131.11 3hgq n ASP 144 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 3hgq n ASP 144 Cb 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.34 3hgq n ASP 144 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3hgq h LEU 145 N 0.00 0.90 -0.32 0.64 3.38 -1.27 0.17 115.31 118.80 3hgq h LEU 145 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hgq h LEU 145 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3hgq h LEU 145 CO 0.00 0.57 0.21 0.25 0.09 0.00 0.00 178.44 179.56 3hgq h LEU 146 N 1.02 0.38 -0.06 1.67 6.46 -1.17 0.04 115.31 123.65 3hgq h LEU 146 Ca 0.39 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 58.12 3hgq h LEU 146 Cb 0.21 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 3hgq h LEU 146 CO -0.15 0.29 0.03 -0.08 -0.62 0.00 0.00 178.44 177.91 3hgq h GLU 147 N 0.43 0.09 -0.66 1.25 4.81 -1.46 -1.95 114.58 117.09 3hgq h GLU 147 Ca 0.12 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.43 3hgq h GLU 147 Cb -0.03 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.26 3hgq h GLU 147 CO -0.02 0.20 0.30 0.00 -0.73 0.00 0.00 179.01 178.75 3hgq h ALA 148 N 0.88 0.88 -0.94 2.92 0.00 -0.50 -0.99 119.26 121.52 3hgq h ALA 148 Ca 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hgq h ALA 148 Cb 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3hgq h ALA 148 CO -0.00 -0.11 0.56 1.25 0.00 0.00 0.00 179.25 180.95 3hgq h LEU 149 N 0.52 1.14 -1.05 0.00 7.12 -0.78 -2.64 115.31 119.62 3hgq h LEU 149 Ca 0.33 -0.07 -0.04 0.00 0.13 0.00 0.00 57.88 58.22 3hgq h LEU 149 Cb 0.36 -0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 40.20 3hgq h LEU 149 CO -0.28 0.88 -0.19 -0.07 -0.13 0.00 0.00 178.44 178.65 3hgq h LEU 150 N 1.30 0.00 -2.11 2.25 3.38 -0.42 -2.94 115.31 116.77 3hgq h LEU 150 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3hgq h LEU 150 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3hgq h LEU 150 CO -0.06 0.19 0.00 -0.07 0.09 0.00 0.00 178.44 178.59 3hgq h LEU 151 N 0.00 0.00 -1.06 1.67 3.38 -0.95 0.16 115.31 118.50 3hgq h LEU 151 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hgq h LEU 151 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3hgq h LEU 151 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3hgq n GLY 152 N -1.12 0.55 3.20 0.83 0.00 -1.11 -4.86 105.19 102.68 3hgq n GLY 152 Ca -0.02 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 3hgq n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hgq s ASN 153 N -0.78 2.36 -0.84 1.61 0.01 0.56 -5.04 114.94 112.83 3hgq s ASN 153 Ca 0.15 -0.37 -0.26 0.00 -0.71 0.00 0.00 52.86 51.67 3hgq s ASN 153 Cb 0.09 -0.37 -0.21 0.00 0.41 0.00 0.00 41.25 41.16 3hgq s ASN 153 CO 0.08 0.23 1.92 0.29 -1.51 0.00 0.00 177.10 178.11 3hgq n LYS 154 N 2.73 0.73 -3.65 -0.60 4.76 -1.26 -4.78 118.16 116.09 3hgq n LYS 154 Ca -0.16 -1.80 -0.12 0.00 -2.87 0.00 0.00 58.31 53.35 3hgq n LYS 154 Cb 0.53 -3.42 -0.08 0.00 -1.84 0.00 0.00 35.03 30.22 3hgq n LYS 154 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3hgq s VAL 155 N 11.45 -0.00 0.39 -0.18 1.01 -1.26 -4.64 120.40 127.16 3hgq s VAL 155 Ca 0.71 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.45 3hgq s VAL 155 Cb 0.04 -0.91 -0.09 0.00 0.00 0.00 0.00 36.38 35.41 3hgq s VAL 155 CO 0.20 0.00 1.06 -1.00 0.00 0.00 0.00 175.10 175.36 3hgq s HIS 156 N 0.62 3.29 -0.12 5.22 3.76 -0.26 -4.92 115.29 122.87 3hgq s HIS 156 Ca -0.02 1.65 0.00 0.00 -0.15 0.00 0.00 55.06 56.54 3hgq s HIS 156 Cb -0.05 -3.16 0.02 0.00 1.11 0.00 0.00 32.58 30.51 3hgq s HIS 156 CO -0.03 -0.65 -0.10 0.42 -0.85 0.00 0.00 174.74 173.52 3hgq s ILE 157 N -1.60 1.23 -0.13 0.60 1.01 -1.26 0.22 121.20 121.28 3hgq s ILE 157 Ca 0.56 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.79 3hgq s ILE 157 Cb -0.23 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 3hgq s ILE 157 CO 0.29 0.40 -0.17 -0.54 0.00 0.00 0.00 174.94 174.93 3hgq s LYS 158 N 1.50 3.24 0.33 2.79 -0.14 -0.48 -4.97 119.74 122.01 3hgq s LYS 158 Ca 0.02 -0.76 0.07 0.00 -1.36 0.00 0.00 55.97 53.95 3hgq s LYS 158 Cb -0.13 -2.54 -0.02 0.00 -1.68 0.00 0.00 37.83 33.45 3hgq s LYS 158 CO -0.07 0.14 0.32 1.03 -0.76 0.00 0.00 175.35 176.00 3hgq s ARG 159 N 0.51 2.81 -0.15 1.68 0.52 -1.26 -0.43 118.95 122.64 3hgq s ARG 159 Ca -0.11 -1.23 0.18 0.00 -0.52 0.00 0.00 55.73 54.06 3hgq s ARG 159 Cb -0.16 -2.55 0.44 0.00 0.52 0.00 0.00 34.95 33.21 3hgq s ARG 159 CO 0.04 0.11 1.18 0.66 0.02 0.00 0.00 175.30 177.31 3hgq n TYR 160 N -1.41 0.58 -0.21 -0.53 4.01 -1.23 -4.66 117.16 113.70 3hgq n TYR 160 Ca -0.02 -1.31 0.00 0.00 -0.16 0.00 0.00 57.90 56.41 3hgq n TYR 160 Cb 0.59 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 3hgq n TYR 160 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3hgq n ASP 161 N -0.34 1.32 0.00 7.72 3.85 -1.26 -4.81 116.55 123.03 3hgq n ASP 161 Ca 0.15 -1.53 0.00 0.00 -0.71 0.00 0.00 54.79 52.70 3hgq n ASP 161 Cb 0.93 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.70 3hgq n ASP 161 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hgq n GLY 162 N -0.27 0.86 4.00 6.12 0.00 -1.26 -4.98 105.19 109.67 3hgq n GLY 162 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3hgq n GLY 162 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hgq s HIS 163 N -2.74 2.66 0.00 1.61 3.76 -1.26 -5.12 115.29 114.19 3hgq s HIS 163 Ca 0.00 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 3hgq s HIS 163 Cb 0.00 -2.35 0.00 0.00 1.11 0.00 0.00 32.58 31.34 3hgq s HIS 163 CO 0.00 -0.47 0.00 0.45 -0.85 0.00 0.00 174.74 173.87 3hgq n SER 164 N -1.87 0.00 -0.41 1.40 2.88 -1.26 -4.81 113.62 109.55 3hgq n SER 164 Ca 0.08 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.69 3hgq n SER 164 Cb 0.59 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.08 3hgq n SER 164 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3hgq n ILE 165 N -0.25 0.00 0.00 2.46 -5.35 -1.26 -5.17 119.36 109.79 3hgq n ILE 165 Ca 0.00 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 3hgq n ILE 165 Cb 0.00 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 39.12 3hgq n ILE 165 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hgq n LYS 166 N 0.19 0.00 -2.61 6.28 5.02 -1.26 -4.92 118.16 120.87 3hgq n LYS 166 Ca 0.07 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 3hgq n LYS 166 Cb 0.32 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.30 3hgq n LYS 166 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hgq s ASP 173 N 1.00 6.17 -0.07 4.39 2.15 -1.26 -5.25 116.67 123.79 3hgq s ASP 173 Ca 0.00 -0.57 0.05 0.00 0.43 0.00 0.00 52.55 52.47 3hgq s ASP 173 Cb 0.00 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 40.08 3hgq s ASP 173 CO 0.00 -1.76 -0.25 -0.36 -0.17 0.00 0.00 175.17 172.63 3hgq s PHE 174 N 5.41 2.48 0.30 -5.34 2.99 -1.26 -5.00 117.98 117.56 3hgq s PHE 174 Ca 0.33 -0.86 0.04 0.00 0.00 0.00 0.00 56.93 56.44 3hgq s PHE 174 Cb -0.10 -1.64 0.47 0.00 0.00 0.00 0.00 43.02 41.75 3hgq s PHE 174 CO 0.14 -0.30 1.75 0.66 -0.00 0.00 0.00 175.22 177.47 3hgq h SER 175 N 6.33 0.42 -3.21 1.36 4.64 -1.81 -3.43 113.55 117.85 3hgq h SER 175 Ca -0.27 -0.14 -0.61 0.00 -0.47 0.00 0.00 61.79 60.30 3hgq h SER 175 Cb 1.20 -0.11 -0.13 0.00 -0.31 0.00 0.00 62.40 63.05 3hgq h SER 175 CO 0.47 0.67 -0.52 0.00 -0.87 0.00 0.00 176.83 176.58 3hgq s THR 177 N 0.18 2.26 -0.18 0.00 2.01 -0.46 -1.11 115.64 118.35 3hgq s THR 177 Ca 0.07 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.06 3hgq s THR 177 Cb -0.12 -1.83 0.00 0.00 0.01 0.00 0.00 72.50 70.57 3hgq s THR 177 CO -0.01 0.57 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.67 3hgq s VAL 178 N -0.33 2.72 -0.26 3.82 1.01 0.13 -0.75 120.40 126.75 3hgq s VAL 178 Ca 0.02 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 3hgq s VAL 178 Cb -0.12 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3hgq s VAL 178 CO 0.02 0.50 0.13 -1.00 0.00 0.00 0.00 175.10 174.75 3hgq s HIS 179 N 1.06 3.17 -0.39 5.22 3.76 0.35 -1.38 115.29 127.08 3hgq s HIS 179 Ca -0.01 -0.10 -0.14 0.00 -0.15 0.00 0.00 55.06 54.66 3hgq s HIS 179 Cb -0.15 -2.29 0.01 0.00 1.11 0.00 0.00 32.58 31.27 3hgq s HIS 179 CO -0.03 -0.20 0.28 -0.51 -0.85 0.00 0.00 174.74 173.43 3hgq s LEU 180 N 1.54 4.96 0.05 0.89 1.43 0.43 -0.34 118.68 127.64 3hgq s LEU 180 Ca 0.06 -0.78 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 3hgq s LEU 180 Cb -0.15 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3hgq s LEU 180 CO 0.07 -0.40 -0.06 -0.36 0.23 0.00 0.00 176.35 175.83 3hgq s PHE 181 N 1.69 2.88 0.34 0.29 0.08 0.67 -3.56 117.98 120.37 3hgq s PHE 181 Ca 0.05 -0.06 -0.27 0.00 0.12 0.00 0.00 56.93 56.77 3hgq s PHE 181 Cb -0.19 -1.55 -0.09 0.00 -0.57 0.00 0.00 43.02 40.62 3hgq s PHE 181 CO 0.10 0.41 1.08 0.45 -0.10 0.00 0.00 175.22 177.17 3hgq s SER 182 N -1.83 7.01 0.20 1.36 0.15 -1.26 -1.89 113.70 117.43 3hgq s SER 182 Ca 0.20 2.18 0.26 0.00 0.70 0.00 0.00 55.95 59.30 3hgq s SER 182 Cb -0.11 -2.61 0.83 0.00 -1.71 0.00 0.00 66.02 62.41 3hgq s SER 182 CO 0.12 -0.32 1.78 -1.54 1.20 0.00 0.00 173.24 174.47 3hgq n SER 183 N 0.61 0.76 -3.37 5.45 3.41 -0.53 -4.31 113.62 115.65 3hgq n SER 183 Ca 0.02 0.56 -0.31 0.00 -0.26 0.00 0.00 58.87 58.87 3hgq n SER 183 Cb 0.47 -0.76 -0.04 0.00 -0.26 0.00 0.00 64.21 63.62 3hgq n SER 183 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hgq n GLU 184 N -2.21 3.50 -0.12 4.33 1.02 -1.26 -4.73 120.64 121.17 3hgq n GLU 184 Ca 0.06 -4.73 0.00 0.00 -0.02 0.00 0.00 57.16 52.47 3hgq n GLU 184 Cb 0.43 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 3hgq n GLU 184 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hgq n GLY 185 N 0.39 -2.06 0.54 0.62 0.00 -1.26 -5.00 105.19 98.42 3hgq n GLY 185 Ca 0.32 -1.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 3hgq n GLY 185 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hgq n ILE 186 N 0.57 1.37 -0.97 -0.61 5.41 -1.26 -4.73 119.36 119.14 3hgq n ILE 186 Ca 0.00 0.26 0.00 0.00 1.00 0.00 0.00 62.75 64.01 3hgq n ILE 186 Cb 0.00 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 36.94 3hgq n ILE 186 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3hgq n ASN 187 N -4.00 -1.30 0.00 4.38 2.85 -1.26 -4.83 115.26 111.10 3hgq n ASN 187 Ca -0.08 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.53 3hgq n ASN 187 Cb 0.28 -0.65 0.75 0.00 1.24 0.00 0.00 39.78 41.41 3hgq n ASN 187 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3hgq n PHE 188 N -0.62 0.00 0.03 1.20 3.72 -1.26 -2.49 117.46 118.05 3hgq n PHE 188 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 3hgq n PHE 188 Cb 0.29 -0.17 -0.14 0.00 -0.94 0.00 0.00 39.48 38.52 3hgq n PHE 188 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3hgq h THR 189 N 0.00 0.94 0.00 4.37 1.35 -1.98 -2.84 112.91 114.75 3hgq h THR 189 Ca 0.00 -2.64 -0.10 0.00 -0.55 0.00 0.00 66.41 63.12 3hgq h THR 189 Cb 0.16 2.63 -0.02 0.00 -1.73 0.00 0.00 68.15 69.19 3hgq h THR 189 CO 0.00 0.78 -0.84 0.50 -0.25 0.00 0.00 175.52 175.72 3hgq h LYS 190 N 0.06 0.00 -2.69 4.72 3.64 -1.96 -3.41 116.57 116.93 3hgq h LYS 190 Ca -0.30 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.48 3hgq h LYS 190 Cb 2.03 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 33.45 3hgq h LYS 190 CO 0.13 0.31 -0.82 0.71 -2.27 0.00 0.00 179.45 177.50 3hgq s TYR 191 N -3.03 1.17 0.56 1.91 2.02 -1.04 -5.08 117.35 113.86 3hgq s TYR 191 Ca 0.01 -1.95 -0.07 0.00 -0.37 0.00 0.00 57.07 54.69 3hgq s TYR 191 Cb 0.08 -1.23 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 3hgq s TYR 191 CO 0.77 -0.81 0.89 -2.14 -1.57 0.00 0.00 175.55 172.68 3hgq s PRO 192 N 0.72 3.22 -1.06 -1.71 0.02 -1.07 -4.17 135.00 130.94 3hgq s PRO 192 Ca 0.20 0.18 -0.22 0.00 0.02 0.00 0.00 61.00 61.17 3hgq s PRO 192 Cb -0.20 -2.27 0.05 0.00 0.02 0.00 0.00 34.50 32.09 3hgq s PRO 192 CO -0.02 -0.53 1.51 0.42 -0.33 0.00 0.00 177.00 178.05 3hgq s ILE 193 N -2.94 3.94 -2.00 2.83 -1.09 -1.26 -4.80 121.20 115.88 3hgq s ILE 193 Ca 0.52 -0.93 0.09 0.00 -2.23 0.00 0.00 60.65 58.10 3hgq s ILE 193 Cb -0.11 -5.06 0.26 0.00 -1.58 0.00 0.00 42.46 35.98 3hgq s ILE 193 CO 0.46 -1.93 0.97 1.17 -1.23 0.00 0.00 174.94 174.39 3hgq n LYS 194 N 8.81 0.41 -0.02 2.79 0.00 -1.26 -4.24 118.16 124.65 3hgq n LYS 194 Ca 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.56 3hgq n LYS 194 Cb 0.50 -1.35 -0.04 0.00 0.00 0.00 0.00 35.03 34.14 3hgq n LYS 194 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3hgq h SER 195 N 0.00 -1.02 -0.99 3.14 0.87 -2.04 -3.46 113.55 110.05 3hgq h SER 195 Ca 0.00 0.15 -0.17 0.00 -1.23 0.00 0.00 61.79 60.55 3hgq h SER 195 Cb 0.00 0.44 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 3hgq h SER 195 CO 0.00 -0.36 -0.20 0.29 -0.53 0.00 0.00 176.83 176.04 3hgq n LYS 196 N -5.41 -0.64 -3.53 2.24 5.02 -1.26 -5.01 118.16 109.57 3hgq n LYS 196 Ca -0.03 0.49 -0.09 0.00 -2.02 0.00 0.00 58.31 56.66 3hgq n LYS 196 Cb 0.33 -4.42 -0.03 0.00 -0.02 0.00 0.00 35.03 30.88 3hgq n LYS 196 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hgq s ALA 197 N -2.39 -1.87 0.62 7.82 0.00 -1.26 -5.17 121.76 119.52 3hgq s ALA 197 Ca 0.00 1.24 -0.17 0.00 0.00 0.00 0.00 51.96 53.02 3hgq s ALA 197 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 3hgq s ALA 197 CO 0.00 -0.55 1.15 -0.98 0.00 0.00 0.00 175.76 175.38 3hgq s ARG 198 N -2.36 2.93 -0.31 0.00 1.70 -1.26 -4.97 118.95 114.67 3hgq s ARG 198 Ca 0.02 1.61 -0.27 0.00 -0.47 0.00 0.00 55.73 56.62 3hgq s ARG 198 Cb -0.01 -1.95 0.01 0.00 -0.57 0.00 0.00 34.95 32.44 3hgq s ARG 198 CO -0.05 -1.19 0.99 -0.06 -1.08 0.00 0.00 175.30 173.91 3hgq s PHE 199 N -1.93 3.18 -2.00 5.89 0.08 -1.26 -4.32 117.98 117.62 3hgq s PHE 199 Ca 0.72 1.10 0.04 0.00 0.12 0.00 0.00 56.93 58.91 3hgq s PHE 199 Cb -0.25 -3.52 0.24 0.00 -0.57 0.00 0.00 43.02 38.92 3hgq s PHE 199 CO 0.35 -0.68 0.89 -0.25 -0.10 0.00 0.00 175.22 175.43 3hgq n ASP 200 N 6.63 0.00 -3.74 1.36 9.92 -0.58 -4.71 116.55 125.43 3hgq n ASP 200 Ca 0.09 -1.30 -0.15 0.00 -0.53 0.00 0.00 54.79 52.90 3hgq n ASP 200 Cb 0.47 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.80 3hgq n ASP 200 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3hgq s LEU 202 N -1.18 0.66 -0.20 0.64 0.20 -0.16 -4.54 118.68 114.12 3hgq s LEU 202 Ca 0.06 0.21 -0.05 0.00 0.69 0.00 0.00 54.13 55.05 3hgq s LEU 202 Cb 0.03 0.19 -0.02 0.00 -0.43 0.00 0.00 46.19 45.95 3hgq s LEU 202 CO 0.05 -0.16 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.30 3hgq s ILE 203 N 1.38 3.87 -0.40 6.68 1.01 0.29 -1.34 121.20 132.69 3hgq s ILE 203 Ca -0.06 -0.34 -0.21 0.00 0.00 0.00 0.00 60.65 60.03 3hgq s ILE 203 Cb -0.12 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.62 3hgq s ILE 203 CO -0.05 0.44 0.67 0.00 0.00 0.00 0.00 174.94 175.99 3hgq h LEU 205 N 9.64 0.00 0.00 0.00 5.85 -1.64 -1.41 115.31 127.75 3hgq h LEU 205 Ca -0.26 -0.01 -0.34 0.00 0.84 0.00 0.00 57.88 58.11 3hgq h LEU 205 Cb 1.10 0.00 0.10 0.00 0.37 0.00 0.00 40.66 42.23 3hgq h LEU 205 CO 0.88 0.55 0.20 0.47 -0.34 0.00 0.00 178.44 180.21 3hgq n ASP 206 N -4.75 0.56 -1.18 1.25 8.00 -1.26 -4.69 116.55 114.49 3hgq n ASP 206 Ca -0.01 -1.62 0.12 0.00 0.71 0.00 0.00 54.79 53.98 3hgq n ASP 206 Cb 0.06 -0.64 0.25 0.00 -0.02 0.00 0.00 41.12 40.77 3hgq n ASP 206 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3hgq n THR 207 N -2.96 0.63 0.45 -3.53 -2.24 -1.26 -4.12 114.28 101.25 3hgq n THR 207 Ca 0.13 -0.79 0.13 0.00 -2.27 0.00 0.00 64.05 61.24 3hgq n THR 207 Cb 0.45 0.80 0.47 0.00 -2.10 0.00 0.00 70.33 69.95 3hgq n THR 207 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hgq h THR 208 N 4.28 0.00 -3.26 4.28 1.03 -1.96 -3.44 112.91 113.84 3hgq h THR 208 Ca 0.00 -0.33 -0.58 0.00 -0.01 0.00 0.00 66.41 65.49 3hgq h THR 208 Cb 0.95 1.16 -0.07 0.00 -1.07 0.00 0.00 68.15 69.12 3hgq h THR 208 CO 0.00 0.00 0.72 -0.69 -0.01 0.00 0.00 175.52 175.54 3hgq s VAL 209 N -3.27 4.63 -0.50 0.00 1.01 -1.26 -4.84 120.40 116.18 3hgq s VAL 209 Ca 0.06 1.71 -0.12 0.00 0.00 0.00 0.00 61.98 63.63 3hgq s VAL 209 Cb 0.10 -4.31 0.12 0.00 0.00 0.00 0.00 36.38 32.28 3hgq s VAL 209 CO 0.46 -0.32 0.41 -0.62 0.00 0.00 0.00 175.10 175.03 3hgq s ASP 210 N 1.49 5.93 0.22 3.32 -1.08 -1.26 -4.94 116.67 120.35 3hgq s ASP 210 Ca 0.42 -1.80 0.20 0.00 -0.52 0.00 0.00 52.55 50.85 3hgq s ASP 210 Cb -0.14 -2.10 0.91 0.00 -1.46 0.00 0.00 42.92 40.13 3hgq s ASP 210 CO 0.11 -0.75 1.61 0.35 0.52 0.00 0.00 175.17 177.02 3hgq n THR 211 N 5.07 0.99 0.08 1.71 -2.24 -1.26 -2.30 114.28 116.34 3hgq n THR 211 Ca -0.11 0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.96 3hgq n THR 211 Cb 0.41 -1.31 -0.04 0.00 -2.10 0.00 0.00 70.33 67.28 3hgq n THR 211 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hgq h SER 212 N 0.00 0.25 -3.00 3.42 4.64 -1.96 -3.36 113.55 113.55 3hgq h SER 212 Ca 0.00 -0.22 -0.54 0.00 -0.47 0.00 0.00 61.79 60.56 3hgq h SER 212 Cb 0.23 -0.08 0.21 0.00 -0.31 0.00 0.00 62.40 62.46 3hgq h SER 212 CO 0.00 1.06 -0.86 0.00 -0.87 0.00 0.00 176.83 176.15 3hgq n GLN 213 N -3.60 -0.11 -0.05 4.77 6.02 -0.97 -4.70 117.38 118.74 3hgq n GLN 213 Ca -0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.83 3hgq n GLN 213 Cb 0.85 -1.62 -0.07 0.00 1.02 0.00 0.00 30.24 30.42 3hgq n GLN 213 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3hgq h LYS 214 N -1.17 0.29 -0.65 -1.09 1.57 -1.89 -1.63 116.57 112.00 3hgq h LYS 214 Ca -0.44 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 58.25 3hgq h LYS 214 Cb 1.30 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.57 3hgq h LYS 214 CO 0.33 0.64 0.43 0.38 -0.57 0.00 0.00 179.45 180.66 3hgq h ASP 215 N -0.05 0.63 0.51 0.86 -0.00 -1.95 0.35 116.42 116.77 3hgq h ASP 215 Ca 0.03 -0.00 -0.23 0.00 -0.00 0.00 0.00 57.03 56.82 3hgq h ASP 215 Cb 0.55 -0.14 -0.00 0.00 -0.00 0.00 0.00 39.33 39.74 3hgq h ASP 215 CO 0.02 0.43 -1.01 0.40 -0.00 0.00 0.00 179.24 179.08 3hgq h ILE 216 N 0.73 1.46 -0.32 4.15 5.03 -1.84 -2.69 117.51 124.03 3hgq h ILE 216 Ca 0.27 -2.70 -0.08 0.00 -0.12 0.00 0.00 64.86 62.23 3hgq h ILE 216 Cb 0.15 2.59 -0.02 0.00 -3.03 0.00 0.00 36.82 36.52 3hgq h ILE 216 CO -0.08 0.79 -0.13 1.56 -0.68 0.00 0.00 178.15 179.61 3hgq h GLN 217 N 0.15 0.55 -0.18 2.37 1.08 -0.28 -1.97 115.11 116.83 3hgq h GLN 217 Ca -0.08 -0.17 0.01 0.00 -1.45 0.00 0.00 58.65 56.96 3hgq h GLN 217 Cb 1.67 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 29.04 3hgq h GLN 217 CO 0.17 0.67 0.08 -0.92 -0.95 0.00 0.00 178.83 177.88 3hgq h TYR 218 N 0.50 0.15 -0.16 2.96 -0.00 -0.29 -2.61 116.97 117.52 3hgq h TYR 218 Ca 0.09 0.01 0.03 0.00 -0.00 0.00 0.00 58.73 58.85 3hgq h TYR 218 Cb 0.53 -0.04 -0.03 0.00 -0.00 0.00 0.00 36.73 37.20 3hgq h TYR 218 CO 0.02 0.08 -0.00 -0.07 -0.00 0.00 0.00 178.16 178.19 3hgq h LEU 219 N 0.18 -0.06 -1.11 2.82 3.38 -1.12 -2.95 115.31 116.44 3hgq h LEU 219 Ca 0.07 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hgq h LEU 219 Cb 0.02 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3hgq h LEU 219 CO -0.06 -0.01 0.53 -0.07 0.09 0.00 0.00 178.44 178.92 3hgq h LEU 220 N 0.05 0.99 -7.89 1.67 3.38 -1.28 -3.30 115.31 108.93 3hgq h LEU 220 Ca 0.08 -0.05 -0.77 0.00 0.09 0.00 0.00 57.88 57.23 3hgq h LEU 220 Cb 0.09 -0.25 -0.25 0.00 0.09 0.00 0.00 40.66 40.35 3hgq h LEU 220 CO -0.13 0.75 0.15 -1.10 0.09 0.00 0.00 178.44 178.19 3hgq s GLN 221 N -5.89 3.52 -0.03 1.13 -0.21 -0.99 -1.46 119.66 115.73 3hgq s GLN 221 Ca -0.12 -2.27 0.05 0.00 0.02 0.00 0.00 55.36 53.04 3hgq s GLN 221 Cb 0.18 -4.46 0.07 0.00 1.00 0.00 0.00 33.01 29.80 3hgq s GLN 221 CO 0.80 -1.36 0.92 0.98 -2.12 0.00 0.00 175.29 174.51 3hgq n TYR 222 N 4.48 0.00 0.00 0.91 9.36 -1.24 -4.80 117.16 125.86 3hgq n TYR 222 Ca 0.11 -0.41 0.00 0.00 3.32 0.00 0.00 57.90 60.93 3hgq n TYR 222 Cb 0.46 -0.06 0.00 0.00 -0.63 0.00 0.00 39.34 39.11 3hgq n TYR 222 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 3hgq n LYS 223 N -0.52 0.00 0.00 2.98 4.81 -1.26 -4.42 118.16 119.75 3hgq n LYS 223 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 3hgq n LYS 223 Cb 0.50 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.55 3hgq n LYS 223 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3hgq n GLU 230 N 0.00 2.25 -0.10 1.64 1.02 -1.26 -5.02 120.64 119.17 3hgq n GLU 230 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 3hgq n GLU 230 Cb 0.00 0.00 0.48 0.00 -0.02 0.00 0.00 31.44 31.90 3hgq n GLU 230 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hgq h ARG 231 N 0.00 0.44 -6.29 3.49 3.08 -2.04 -3.42 114.38 109.64 3hgq h ARG 231 Ca 0.00 -0.03 -0.69 0.00 0.07 0.00 0.00 59.98 59.33 3hgq h ARG 231 Cb 0.00 -0.10 -0.29 0.00 0.08 0.00 0.00 29.97 29.66 3hgq h ARG 231 CO 0.00 0.29 -0.85 0.71 -1.07 0.00 0.00 179.97 179.04 3hgq s TYR 232 N -5.42 2.48 0.41 3.04 2.02 -1.26 -4.22 117.35 114.39 3hgq s TYR 232 Ca -0.08 -0.48 -0.25 0.00 -0.37 0.00 0.00 57.07 55.89 3hgq s TYR 232 Cb 0.20 -1.58 -0.08 0.00 -0.40 0.00 0.00 41.96 40.09 3hgq s TYR 232 CO 0.75 -0.05 1.25 0.00 -1.57 0.00 0.00 175.55 175.93 3hgq s ALA 233 N -0.44 3.19 0.30 3.71 0.00 -0.53 -4.96 121.76 123.02 3hgq s ALA 233 Ca 0.05 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 3hgq s ALA 233 Cb -0.12 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 3hgq s ALA 233 CO 0.01 -0.74 1.41 -2.14 0.00 0.00 0.00 175.76 174.30 3hgq s PRO 234 N -2.30 4.26 -0.18 0.00 0.02 -1.26 -4.77 135.00 130.78 3hgq s PRO 234 Ca 0.58 2.33 -0.12 0.00 0.02 0.00 0.00 61.00 63.81 3hgq s PRO 234 Cb -0.35 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.05 3hgq s PRO 234 CO 0.45 -0.37 0.22 0.42 -0.33 0.00 0.00 177.00 177.39 3hgq s ILE 235 N -0.58 5.35 -0.11 2.83 1.01 -0.57 -0.99 121.20 128.14 3hgq s ILE 235 Ca 0.55 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.59 3hgq s ILE 235 Cb -0.42 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.51 3hgq s ILE 235 CO 0.50 0.40 -0.09 0.54 0.00 0.00 0.00 174.94 176.29 3hgq s VAL 236 N 0.49 1.11 -0.23 2.92 0.11 -0.45 -0.74 120.40 123.61 3hgq s VAL 236 Ca 0.13 -0.36 -0.07 0.00 -2.93 0.00 0.00 61.98 58.74 3hgq s VAL 236 Cb -0.12 -1.10 -0.03 0.00 -1.53 0.00 0.00 36.38 33.60 3hgq s VAL 236 CO 0.02 0.38 0.07 -0.13 -3.33 0.00 0.00 175.10 172.10 3hgq s ARG 237 N 1.51 3.76 -0.21 1.54 0.52 0.08 -1.93 118.95 124.23 3hgq s ARG 237 Ca 0.02 -0.43 -0.29 0.00 -0.52 0.00 0.00 55.73 54.50 3hgq s ARG 237 Cb -0.13 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.05 3hgq s ARG 237 CO -0.07 -0.04 1.10 -0.51 0.02 0.00 0.00 175.30 175.80 3hgq s LEU 238 N 1.23 4.13 -0.05 2.53 1.43 -0.53 0.20 118.68 127.61 3hgq s LEU 238 Ca 0.05 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 3hgq s LEU 238 Cb -0.14 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.56 3hgq s LEU 238 CO 0.03 -0.68 -0.02 -0.69 0.23 0.00 0.00 176.35 175.22 3hgq s VAL 239 N 3.22 0.43 -0.17 -1.59 1.01 -0.79 -4.82 120.40 117.68 3hgq s VAL 239 Ca 0.47 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 3hgq s VAL 239 Cb -0.17 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 3hgq s VAL 239 CO 0.09 0.22 1.16 0.00 0.00 0.00 0.00 175.10 176.57 3hgq s ALA 240 N 1.24 3.63 0.34 5.51 0.00 -1.26 0.79 121.76 132.02 3hgq s ALA 240 Ca -0.06 0.37 -0.28 0.00 0.00 0.00 0.00 51.96 51.99 3hgq s ALA 240 Cb -0.14 -3.57 -0.12 0.00 0.00 0.00 0.00 23.12 19.29 3hgq s ALA 240 CO -0.02 -1.04 1.31 0.44 0.00 0.00 0.00 175.76 176.46 3hgq n ILE 241 N 5.20 1.97 -1.37 0.00 -0.00 -1.06 -1.82 119.36 122.29 3hgq n ILE 241 Ca 0.12 -0.49 -0.14 0.00 -0.00 0.00 0.00 62.75 62.25 3hgq n ILE 241 Cb 0.46 -1.61 -0.06 0.00 -0.00 0.00 0.00 39.64 38.43 3hgq n ILE 241 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 3hgq n ASN 242 N 0.77 -5.11 -5.01 7.28 3.02 -1.26 -0.49 115.26 114.46 3hgq n ASN 242 Ca 0.04 0.34 -0.18 0.00 -0.03 0.00 0.00 54.58 54.75 3hgq n ASN 242 Cb 0.36 -4.10 0.02 0.00 -0.61 0.00 0.00 39.78 35.45 3hgq n ASN 242 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hgq s SER 243 N -2.38 5.58 0.34 6.41 1.04 -0.76 -4.52 113.70 119.42 3hgq s SER 243 Ca 0.00 -0.40 0.12 0.00 0.48 0.00 0.00 55.95 56.15 3hgq s SER 243 Cb 0.00 -0.63 0.92 0.00 0.10 0.00 0.00 66.02 66.41 3hgq s SER 243 CO 0.00 -0.84 1.76 -0.29 0.98 0.00 0.00 173.24 174.86 3hgq h ILE 244 N 0.55 0.59 -0.40 -1.02 6.09 -1.88 0.33 117.51 121.76 3hgq h ILE 244 Ca -0.40 -0.19 0.08 0.00 -1.37 0.00 0.00 64.86 62.98 3hgq h ILE 244 Cb 1.28 -0.03 -0.09 0.00 0.47 0.00 0.00 36.82 38.45 3hgq h ILE 244 CO 0.46 0.10 -0.24 0.44 -3.07 0.00 0.00 178.15 175.83 3hgq h ASP 245 N 0.56 -0.82 -0.01 2.19 5.19 -1.92 0.13 116.42 121.74 3hgq h ASP 245 Ca 0.60 0.17 0.02 0.00 -0.62 0.00 0.00 57.03 57.20 3hgq h ASP 245 Cb 1.22 0.42 -0.03 0.00 0.18 0.00 0.00 39.33 41.12 3hgq h ASP 245 CO -0.38 -0.27 -0.11 -0.74 -3.12 0.00 0.00 179.24 174.63 3hgq h HIS 246 N -0.17 -0.27 -0.10 4.55 2.76 -1.04 -2.55 115.15 118.32 3hgq h HIS 246 Ca 0.19 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.41 3hgq h HIS 246 Cb 0.47 0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.51 3hgq h HIS 246 CO -0.47 -0.16 -0.20 0.00 -1.30 0.00 0.00 177.93 175.80 3hgq h ARG 248 N -0.26 0.62 0.12 0.00 3.08 -0.69 -2.03 114.38 115.21 3hgq h ARG 248 Ca 0.09 -0.04 -0.29 0.00 0.07 0.00 0.00 59.98 59.80 3hgq h ARG 248 Cb 0.39 -0.14 0.02 0.00 0.08 0.00 0.00 29.97 30.33 3hgq h ARG 248 CO -0.25 0.42 -1.23 1.25 -1.07 0.00 0.00 179.97 179.09 3hgq h LEU 249 N 0.63 0.78 0.00 3.04 7.12 -1.06 -2.54 115.31 123.28 3hgq h LEU 249 Ca 0.17 -0.73 -0.05 0.00 0.13 0.00 0.00 57.88 57.40 3hgq h LEU 249 Cb -0.04 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 39.83 3hgq h LEU 249 CO -0.03 1.55 -0.34 0.15 -0.13 0.00 0.00 178.44 179.63 3hgq h PHE 250 N 0.24 0.00 0.00 1.25 3.04 -1.18 -3.30 116.94 116.98 3hgq h PHE 250 Ca -0.18 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.76 3hgq h PHE 250 Cb 1.91 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.42 3hgq h PHE 250 CO 0.10 0.77 -0.06 0.74 -2.02 0.00 0.00 178.31 177.84 3hgq h PHE 251 N -1.00 0.00 -0.10 0.41 0.04 -1.55 -2.43 116.94 112.31 3hgq h PHE 251 Ca -0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.69 3hgq h PHE 251 Cb 0.78 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.93 3hgq h PHE 251 CO 0.12 0.06 0.07 0.78 -0.60 0.00 0.00 178.31 178.73 3hgq h GLY 252 N 0.50 0.13 -3.53 -1.45 0.00 -1.52 -0.40 103.07 96.80 3hgq h GLY 252 Ca -0.00 -0.05 -0.37 0.00 0.00 0.00 0.00 47.33 46.91 3hgq h GLY 252 CO 0.01 0.05 0.47 0.58 0.00 0.00 0.00 176.54 177.65 3hgq n LYS 253 N -4.52 2.19 0.00 4.80 2.85 -0.92 -3.14 118.16 119.42 3hgq n LYS 253 Ca -0.01 -2.39 0.00 0.00 -1.05 0.00 0.00 58.31 54.85 3hgq n LYS 253 Cb 0.09 -1.95 0.00 0.00 -0.65 0.00 0.00 35.03 32.52 3hgq n LYS 253 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3hgq n LYS 254 N -0.68 0.12 0.00 -1.58 4.81 -0.30 -4.95 118.16 115.58 3hgq n LYS 254 Ca 0.45 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 3hgq n LYS 254 Cb 1.39 -0.01 0.00 0.00 0.02 0.00 0.00 35.03 36.43 3hgq n LYS 254 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3hgq n PHE 255 N 0.00 0.00 -1.28 5.64 3.72 -0.38 -5.05 117.46 120.11 3hgq n PHE 255 Ca 0.00 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.55 3hgq n PHE 255 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 3hgq n PHE 255 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3hgq n ASP 256 N -0.03 -6.79 0.00 4.37 9.92 -1.19 -4.60 116.55 118.24 3hgq n ASP 256 Ca 0.00 1.00 0.00 0.00 -0.53 0.00 0.00 54.79 55.26 3hgq n ASP 256 Cb 0.00 -4.23 0.00 0.00 -0.64 0.00 0.00 41.12 36.25 3hgq n ASP 256 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 3hgq n LYS 257 N -3.98 0.00 -1.70 -1.24 4.81 -1.26 -3.33 118.16 111.45 3hgq n LYS 257 Ca -0.05 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.12 3hgq n LYS 257 Cb 0.61 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.72 3hgq n LYS 257 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3hgq n ASN 258 N -2.06 5.77 -4.71 3.14 3.02 -1.26 -4.93 115.26 114.23 3hgq n ASN 258 Ca 0.00 -3.77 -0.33 0.00 -0.03 0.00 0.00 54.58 50.46 3hgq n ASN 258 Cb 0.00 -0.59 0.12 0.00 -0.61 0.00 0.00 39.78 38.70 3hgq n ASN 258 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hgq s SER 259 N -2.91 3.79 0.17 6.41 1.04 -1.21 -4.93 113.70 116.07 3hgq s SER 259 Ca 0.56 2.23 -0.14 0.00 0.48 0.00 0.00 55.95 59.08 3hgq s SER 259 Cb 0.45 -2.57 0.07 0.00 0.10 0.00 0.00 66.02 64.06 3hgq s SER 259 CO 0.02 -2.53 1.81 -0.09 0.98 0.00 0.00 173.24 173.43 3hgq h ARG 260 N -0.95 0.75 -0.08 4.02 9.65 -1.95 -3.03 114.38 122.80 3hgq h ARG 260 Ca -0.45 -0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 58.30 3hgq h ARG 260 Cb 1.28 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.69 3hgq h ARG 260 CO 0.47 0.54 -0.20 0.93 2.80 0.00 0.00 179.97 184.51 3hgq h GLU 261 N 0.74 0.12 0.80 0.20 5.08 -1.94 -1.01 114.58 118.58 3hgq h GLU 261 Ca 0.20 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3hgq h GLU 261 Cb -0.02 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.22 3hgq h GLU 261 CO -0.04 0.32 -0.38 -0.92 -1.00 0.00 0.00 179.01 176.99 3hgq h TYR 262 N 0.12 -1.00 -0.82 4.33 5.03 -1.83 -1.65 116.97 121.15 3hgq h TYR 262 Ca 0.02 -0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.39 3hgq h TYR 262 Cb 0.42 0.33 -0.05 0.00 1.55 0.00 0.00 36.73 38.98 3hgq h TYR 262 CO 0.00 -0.62 0.53 1.25 -1.32 0.00 0.00 178.16 178.01 3hgq h LEU 263 N -1.20 0.75 0.09 2.82 5.85 -1.43 0.12 115.31 122.29 3hgq h LEU 263 Ca -0.11 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3hgq h LEU 263 Cb 0.82 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3hgq h LEU 263 CO 0.18 0.47 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.38 3hgq h GLU 264 N 0.84 -0.11 -0.65 1.25 5.08 -1.17 -0.04 114.58 119.79 3hgq h GLU 264 Ca 0.36 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.65 3hgq h GLU 264 Cb 0.32 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3hgq h GLU 264 CO -0.14 0.21 0.10 -0.91 -1.00 0.00 0.00 179.01 177.27 3hgq h ASN 265 N -0.44 1.02 -0.15 1.42 2.35 -0.91 -1.76 115.58 117.11 3hgq h ASN 265 Ca -0.01 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.46 3hgq h ASN 265 Cb 0.37 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3hgq h ASN 265 CO 0.02 1.02 -0.03 0.58 -1.65 0.00 0.00 177.43 177.36 3hgq h VAL 266 N 1.00 1.28 -0.20 2.81 2.07 -0.75 -1.84 116.25 120.62 3hgq h VAL 266 Ca 0.20 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 3hgq h VAL 266 Cb 0.44 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3hgq h VAL 266 CO 0.01 0.29 -0.05 0.71 0.02 0.00 0.00 177.57 178.55 3hgq h THR 267 N -0.01 1.29 -0.72 2.57 1.35 -1.00 -3.05 112.91 113.33 3hgq h THR 267 Ca 0.04 -1.03 0.07 0.00 -0.55 0.00 0.00 66.41 64.94 3hgq h THR 267 Cb 0.46 1.55 -0.06 0.00 -1.73 0.00 0.00 68.15 68.37 3hgq h THR 267 CO 0.01 0.31 0.40 0.00 -0.25 0.00 0.00 175.52 176.00 3hgq h ALA 268 N 0.74 0.98 0.00 6.62 0.00 -1.36 -1.48 119.26 124.76 3hgq h ALA 268 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hgq h ALA 268 Cb 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hgq h ALA 268 CO 0.02 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.34 3hgq n ALA 269 N -2.36 1.70 0.00 0.00 0.00 -0.69 -1.29 120.51 117.86 3hgq n ALA 269 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3hgq n ALA 269 Cb 0.20 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3hgq n ALA 269 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hgq n VAL 271 N 0.71 0.00 0.10 0.00 0.31 -0.56 0.05 118.33 118.94 3hgq n VAL 271 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 3hgq n VAL 271 Cb 0.13 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.93 3hgq n VAL 271 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3hgq h ILE 272 N 0.00 1.45 0.00 2.52 2.04 -1.44 -3.19 117.51 118.89 3hgq h ILE 272 Ca 0.00 -2.89 0.00 0.00 1.00 0.00 0.00 64.86 62.97 3hgq h ILE 272 Cb 0.00 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 3hgq h ILE 272 CO 0.00 0.85 0.00 -0.07 0.00 0.00 0.00 178.15 178.93 3hgq h LEU 273 N 0.12 0.00 -1.27 1.44 3.38 -0.62 -3.32 115.31 115.04 3hgq h LEU 273 Ca -0.14 0.00 0.37 0.00 0.09 0.00 0.00 57.88 58.20 3hgq h LEU 273 Cb 1.92 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.62 3hgq h LEU 273 CO 0.21 0.00 1.02 -1.14 0.09 0.00 0.00 178.44 178.62 3hgq n ARG 274 N -2.31 0.00 0.06 1.13 0.63 -1.21 -0.06 116.66 114.91 3hgq n ARG 274 Ca 0.04 0.80 -0.12 0.00 -0.92 0.00 0.00 57.85 57.64 3hgq n ARG 274 Cb 0.34 -1.89 -0.13 0.00 0.45 0.00 0.00 32.46 31.23 3hgq n ARG 274 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 3hgq h ASP 275 N 0.00 0.22 -0.36 6.15 -0.00 -1.84 -3.31 116.42 117.28 3hgq h ASP 275 Ca 0.60 -0.28 0.00 0.00 -0.00 0.00 0.00 57.03 57.35 3hgq h ASP 275 Cb 2.64 -0.07 0.00 0.00 -0.00 0.00 0.00 39.33 41.90 3hgq h ASP 275 CO -0.01 1.23 0.00 0.54 -0.00 0.00 0.00 179.24 181.00 3hgq n ARG 276 N -3.37 2.47 -1.62 4.15 1.74 0.92 -5.00 116.66 115.95 3hgq n ARG 276 Ca -0.10 -2.25 -0.63 0.00 -0.77 0.00 0.00 57.85 54.10 3hgq n ARG 276 Cb 1.01 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.86 3hgq n ARG 276 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3hgq n LEU 277 N 1.46 0.65 -2.48 0.55 0.00 -0.61 -2.84 117.00 113.74 3hgq n LEU 277 Ca 0.19 1.17 -0.20 0.00 0.00 0.00 0.00 56.01 57.16 3hgq n LEU 277 Cb 0.60 -0.92 0.01 0.00 0.00 0.00 0.00 43.42 43.11 3hgq n LEU 277 CO 0.15 -1.36 -0.16 0.61 0.00 0.00 0.00 177.39 176.63 3hgq n GLY 278 N 2.73 -0.45 3.26 -3.96 0.00 0.36 -4.99 105.19 102.13 3hgq n GLY 278 Ca 0.25 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 3hgq n GLY 278 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hgq s THR 279 N -3.05 2.71 0.57 2.61 -4.23 -1.13 -4.53 115.64 108.59 3hgq s THR 279 Ca 0.11 -0.74 -0.19 0.00 -1.18 0.00 0.00 61.69 59.68 3hgq s THR 279 Cb -0.05 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 3hgq s THR 279 CO 0.13 0.50 1.15 -0.76 -0.54 0.00 0.00 174.62 175.10 3hgq s LEU 280 N 0.96 3.68 0.72 4.79 1.43 -1.26 -4.94 118.68 124.06 3hgq s LEU 280 Ca -0.02 2.21 -0.13 0.00 -1.03 0.00 0.00 54.13 55.15 3hgq s LEU 280 Cb -0.15 -4.58 0.03 0.00 0.03 0.00 0.00 46.19 41.52 3hgq s LEU 280 CO -0.02 -1.37 1.12 -2.84 0.23 0.00 0.00 176.35 173.46 3hgq s PRO 281 N -3.40 2.45 0.29 1.29 0.02 -1.26 -4.81 135.00 129.59 3hgq s PRO 281 Ca 0.73 1.37 0.04 0.00 0.02 0.00 0.00 61.00 63.16 3hgq s PRO 281 Cb -0.25 -1.91 0.67 0.00 0.02 0.00 0.00 34.50 33.04 3hgq s PRO 281 CO 0.30 -1.52 1.78 -1.35 -0.33 0.00 0.00 177.00 175.89 3hgq h PRO 282 N -0.48 0.76 -0.55 5.54 0.11 -2.01 -0.24 132.00 135.12 3hgq h PRO 282 Ca -0.46 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.67 3hgq h PRO 282 Cb 1.25 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 3hgq h PRO 282 CO 0.52 0.50 0.25 -0.44 -0.21 0.00 0.00 178.00 178.62 3hgq h ASP 283 N 0.78 0.32 1.69 -2.05 3.32 -2.04 -3.11 116.42 115.33 3hgq h ASP 283 Ca 0.55 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.58 3hgq h ASP 283 Cb 0.79 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 3hgq h ASP 283 CO -0.36 0.21 -0.30 0.25 -1.72 0.00 0.00 179.24 177.32 3hgq h LEU 284 N 0.47 0.00 -0.17 1.55 5.85 -1.41 -3.38 115.31 118.23 3hgq h LEU 284 Ca 0.26 0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.02 3hgq h LEU 284 Cb 0.23 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3hgq h LEU 284 CO -0.21 0.30 -0.14 0.03 -0.34 0.00 0.00 178.44 178.08 3hgq h ARG 285 N 0.00 -0.14 -0.97 1.25 3.08 -1.36 -2.75 114.38 113.49 3hgq h ARG 285 Ca -0.00 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.15 3hgq h ARG 285 Cb 1.23 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.24 3hgq h ARG 285 CO 0.04 -0.10 0.62 -1.35 -1.07 0.00 0.00 179.97 178.11 3hgq h PRO 286 N -0.15 0.99 -0.67 0.04 0.11 -1.77 0.24 132.00 130.79 3hgq h PRO 286 Ca 0.11 -0.06 0.12 0.00 0.11 0.00 0.00 66.00 66.27 3hgq h PRO 286 Cb 0.30 -0.22 -0.08 0.00 0.11 0.00 0.00 31.00 31.11 3hgq h PRO 286 CO -0.26 0.66 0.25 0.82 -0.21 0.00 0.00 178.00 179.25 3hgq h ILE 287 N 1.02 0.71 0.00 4.15 2.04 -1.75 0.61 117.51 124.28 3hgq h ILE 287 Ca 0.45 -0.14 -0.21 0.00 1.00 0.00 0.00 64.86 65.96 3hgq h ILE 287 Cb 0.36 0.26 0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3hgq h ILE 287 CO -0.21 0.07 -0.82 1.88 0.00 0.00 0.00 178.15 179.08 3hgq h TYR 288 N 0.41 0.82 -0.70 1.37 0.05 -0.94 -0.31 116.97 117.67 3hgq h TYR 288 Ca 0.35 -0.45 0.08 0.00 0.05 0.00 0.00 58.73 58.77 3hgq h TYR 288 Cb 0.49 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 38.09 3hgq h TYR 288 CO -0.18 1.28 0.46 1.03 -1.05 0.00 0.00 178.16 179.70 3hgq h SER 289 N 0.13 0.57 -0.03 3.88 0.87 -0.31 -0.02 113.55 118.65 3hgq h SER 289 Ca -0.10 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 3hgq h SER 289 Cb 1.51 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 3hgq h SER 289 CO 0.16 0.35 0.00 1.67 -0.53 0.00 0.00 176.83 178.48 3hgq n GLN 290 N -4.48 1.13 -2.17 2.24 -0.06 0.21 -4.82 117.38 109.43 3hgq n GLN 290 Ca 0.11 -0.12 -0.17 0.00 -2.00 0.00 0.00 57.00 54.81 3hgq n GLN 290 Cb 0.29 -1.39 -0.03 0.00 -4.06 0.00 0.00 30.24 25.06 3hgq n GLN 290 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 3hgq n LYS 291 N -0.10 -1.76 -1.17 3.69 0.00 -0.02 -2.89 118.16 115.91 3hgq n LYS 291 Ca 0.01 0.90 -0.06 0.00 0.00 0.00 0.00 58.31 59.16 3hgq n LYS 291 Cb 0.22 -5.45 -0.03 0.00 0.00 0.00 0.00 35.03 29.77 3hgq n LYS 291 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3hgq n LEU 292 N -2.72 -0.43 0.29 3.14 4.77 -0.13 -4.80 117.00 117.12 3hgq n LEU 292 Ca -0.20 0.15 0.14 0.00 -0.03 0.00 0.00 56.01 56.07 3hgq n LEU 292 Cb 0.63 -1.19 0.86 0.00 -2.33 0.00 0.00 43.42 41.39 3hgq n LEU 292 CO 0.25 -0.32 1.09 0.45 -1.33 0.00 0.00 177.39 177.53 3hgq h HIS 293 N 0.00 0.00 0.00 -1.77 3.86 -1.73 -1.94 115.15 113.57 3hgq h HIS 293 Ca -0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3hgq h HIS 293 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 3hgq h HIS 293 CO 0.17 0.02 0.43 -0.92 0.86 0.00 0.00 177.93 178.50 3hgq h TYR 294 N 0.00 0.00 -0.12 2.45 3.20 -1.86 -0.11 116.97 120.54 3hgq h TYR 294 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hgq h TYR 294 Cb 0.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.33 3hgq h TYR 294 CO 0.00 0.00 0.00 1.28 -1.64 0.00 0.00 178.16 177.80 3hgq n LEU 295 N -2.19 3.04 -0.14 2.82 4.77 -0.73 -4.51 117.00 120.06 3hgq n LEU 295 Ca -0.01 -1.10 -0.09 0.00 -0.03 0.00 0.00 56.01 54.79 3hgq n LEU 295 Cb 0.45 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3hgq n LEU 295 CO 0.06 0.55 0.94 0.58 -1.33 0.00 0.00 177.39 178.18 3hgq h VAL 296 N 4.54 1.19 -0.06 4.08 2.07 -1.22 -1.05 116.25 125.81 3hgq h VAL 296 Ca 0.00 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 66.97 3hgq h VAL 296 Cb 0.97 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 3hgq h VAL 296 CO 0.00 0.22 -0.33 -0.08 0.02 0.00 0.00 177.57 177.39 3hgq h GLU 297 N 0.54 -0.43 0.00 1.57 4.81 -1.81 -0.80 114.58 118.46 3hgq h GLU 297 Ca 0.14 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3hgq h GLU 297 Cb 0.17 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 3hgq h GLU 297 CO -0.01 -0.29 -0.04 2.35 -0.73 0.00 0.00 179.01 180.28 3hgq h TRP 298 N -0.45 0.00 0.00 0.92 7.01 -1.75 -1.00 115.95 120.69 3hgq h TRP 298 Ca 0.08 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 60.97 3hgq h TRP 298 Cb 0.57 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 3hgq h TRP 298 CO -0.39 0.04 -0.48 -0.07 -2.79 0.00 0.00 178.44 174.76 3hgq h LEU 299 N 0.00 0.00 0.01 0.65 3.38 0.17 -2.80 115.31 116.72 3hgq h LEU 299 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 3hgq h LEU 299 Cb 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3hgq h LEU 299 CO 0.01 0.48 -1.82 -0.62 0.09 0.00 0.00 178.44 176.58 3hgq n GLU 300 N -3.94 0.65 -3.80 1.13 1.02 -0.63 -4.51 120.64 110.55 3hgq n GLU 300 Ca -0.02 0.26 -0.28 0.00 -0.02 0.00 0.00 57.16 57.10 3hgq n GLU 300 Cb 0.50 -1.75 -0.12 0.00 -0.02 0.00 0.00 31.44 30.05 3hgq n GLU 300 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3hgq s ASN 301 N -6.09 4.06 0.00 1.62 0.01 -0.47 -4.96 114.94 109.11 3hgq s ASN 301 Ca -0.07 -3.46 0.02 0.00 -0.71 0.00 0.00 52.86 48.64 3hgq s ASN 301 Cb 0.08 -1.37 0.09 0.00 0.41 0.00 0.00 41.25 40.46 3hgq s ASN 301 CO 0.82 -0.14 0.35 -2.65 -1.51 0.00 0.00 177.10 173.96 3hgq n PRO 302 N 2.47 0.15 -0.02 -0.60 -0.02 -1.06 -0.96 135.00 134.96 3hgq n PRO 302 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3hgq n PRO 302 Cb 0.37 -1.16 -0.13 0.00 -0.02 0.00 0.00 33.50 32.56 3hgq n PRO 302 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hgq n THR 303 N -0.66 0.90 -1.48 3.45 -2.24 -1.26 -4.95 114.28 108.04 3hgq n THR 303 Ca 0.01 -0.68 -0.35 0.00 -2.27 0.00 0.00 64.05 60.75 3hgq n THR 303 Cb 0.01 -0.44 0.09 0.00 -2.10 0.00 0.00 70.33 67.89 3hgq n THR 303 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hgq s VAL 304 N -2.98 2.04 0.48 2.28 1.01 -0.14 -4.79 120.40 118.30 3hgq s VAL 304 Ca -0.06 0.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.70 3hgq s VAL 304 Cb 0.09 -2.76 -0.07 0.00 0.00 0.00 0.00 36.38 33.64 3hgq s VAL 304 CO 0.84 -0.01 1.32 -2.84 0.00 0.00 0.00 175.10 174.42 3hgq s PRO 305 N -3.70 3.56 0.07 2.72 0.02 -1.26 -4.67 135.00 131.75 3hgq s PRO 305 Ca 0.79 2.17 -0.33 0.00 0.02 0.00 0.00 61.00 63.64 3hgq s PRO 305 Cb -0.34 -2.49 -0.13 0.00 0.02 0.00 0.00 34.50 31.57 3hgq s PRO 305 CO 0.44 -0.83 1.73 1.87 -0.33 0.00 0.00 177.00 179.88 3hgq n TRP 306 N -0.48 2.36 0.27 6.54 -0.00 -1.26 -4.87 117.44 120.00 3hgq n TRP 306 Ca 0.07 0.10 0.17 0.00 -0.00 0.00 0.00 57.50 57.84 3hgq n TRP 306 Cb 0.45 -2.62 0.65 0.00 -0.00 0.00 0.00 31.31 29.79 3hgq n TRP 306 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3hgq h PRO 307 N 7.48 0.00 -6.43 5.87 0.11 -1.93 -3.45 132.00 133.65 3hgq h PRO 307 Ca -0.46 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.13 3hgq h PRO 307 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3hgq h PRO 307 CO 0.92 0.01 -0.20 -0.51 -0.21 0.00 0.00 178.00 178.02 3hgq s LEU 308 N -6.22 4.09 0.85 2.35 1.43 -1.26 -5.07 118.68 114.84 3hgq s LEU 308 Ca 0.01 0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 53.59 3hgq s LEU 308 Cb 0.09 -3.41 0.10 0.00 0.03 0.00 0.00 46.19 43.01 3hgq s LEU 308 CO 0.56 -0.18 1.15 -2.84 0.23 0.00 0.00 176.35 175.27 3hgq s PRO 309 N -3.62 1.51 0.69 1.29 0.02 -1.26 -4.97 135.00 128.65 3hgq s PRO 309 Ca 0.42 1.52 -0.14 0.00 0.02 0.00 0.00 61.00 62.82 3hgq s PRO 309 Cb -0.11 -1.78 0.01 0.00 0.02 0.00 0.00 34.50 32.64 3hgq s PRO 309 CO 0.31 -2.26 1.11 -0.51 -0.33 0.00 0.00 177.00 175.31 3hgq s ASP 310 N -2.67 4.94 -0.46 2.53 1.01 -1.26 -4.85 116.67 115.90 3hgq s ASP 310 Ca 0.67 1.97 -0.44 0.00 0.71 0.00 0.00 52.55 55.45 3hgq s ASP 310 Cb -0.23 -2.54 -0.19 0.00 1.01 0.00 0.00 42.92 40.97 3hgq s ASP 310 CO 0.55 -1.74 1.83 0.00 0.21 0.00 0.00 175.17 176.01 3hgq n ILE 311 N -2.69 0.05 -1.68 0.77 3.06 -1.26 -4.82 119.36 112.79 3hgq n ILE 311 Ca 0.10 -0.02 -0.44 0.00 -2.50 0.00 0.00 62.75 59.89 3hgq n ILE 311 Cb 0.52 -0.67 -0.02 0.00 0.54 0.00 0.00 39.64 40.01 3hgq n ILE 311 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 3hgq n TYR 312 N 5.64 2.28 -1.95 9.51 0.53 -1.26 -4.95 117.16 126.96 3hgq n TYR 312 Ca 0.39 0.42 -0.32 0.00 -1.02 0.00 0.00 57.90 57.36 3hgq n TYR 312 Cb -0.01 -2.47 0.02 0.00 -1.03 0.00 0.00 39.34 35.84 3hgq n TYR 312 CO 0.00 0.00 0.00 -2.14 -1.02 0.00 0.00 176.86 173.70 3hgq s PRO 313 N -0.61 3.21 0.02 -0.72 0.02 -1.26 -5.02 135.00 130.64 3hgq s PRO 313 Ca 0.66 1.18 0.08 0.00 0.02 0.00 0.00 61.00 62.94 3hgq s PRO 313 Cb -0.62 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.86 3hgq s PRO 313 CO 0.51 -0.89 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.54 3hgq s LEU 314 N -4.69 2.27 0.51 -5.54 1.43 -1.26 -5.12 118.68 106.28 3hgq s LEU 314 Ca 0.63 -0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 53.02 3hgq s LEU 314 Cb -0.16 -1.36 -0.07 0.00 0.03 0.00 0.00 46.19 44.63 3hgq s LEU 314 CO 0.40 0.28 1.14 -0.54 0.23 0.00 0.00 176.35 177.85 3hgq s LYS 315 N -1.11 3.53 -0.53 1.70 1.02 -1.26 -4.97 119.74 118.12 3hgq s LYS 315 Ca 0.12 1.65 -0.27 0.00 0.02 0.00 0.00 55.97 57.50 3hgq s LYS 315 Cb -0.10 -2.16 0.03 0.00 -0.52 0.00 0.00 37.83 35.08 3hgq s LYS 315 CO 0.02 -0.71 1.05 -0.65 -0.92 0.00 0.00 175.35 174.14 3hgq s GLN 316 N -3.07 3.49 0.39 1.68 -0.21 -1.26 -4.91 119.66 115.77 3hgq s GLN 316 Ca 0.69 0.12 -0.11 0.00 0.02 0.00 0.00 55.36 56.07 3hgq s GLN 316 Cb -0.25 -3.99 -0.07 0.00 1.00 0.00 0.00 33.01 29.70 3hgq s GLN 316 CO 0.29 -1.49 0.76 0.71 -2.12 0.00 0.00 175.29 173.44 3hgq s TYR 317 N 4.34 3.45 0.18 0.91 2.02 -1.26 -5.07 117.35 121.91 3hgq s TYR 317 Ca 0.39 1.08 0.04 0.00 -0.37 0.00 0.00 57.07 58.20 3hgq s TYR 317 Cb -0.09 -2.46 -0.03 0.00 -0.40 0.00 0.00 41.96 38.97 3hgq s TYR 317 CO 0.25 -0.06 0.26 0.99 -1.57 0.00 0.00 175.55 175.42 3hgq s THR 318 N -2.28 5.07 0.00 -0.71 2.01 -1.26 -4.90 115.64 113.57 3hgq s THR 318 Ca 0.52 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.64 3hgq s THR 318 Cb -0.10 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.76 3hgq s THR 318 CO 0.28 -0.16 0.00 -0.24 -0.69 0.00 0.00 174.62 173.81 3hgq n SER 319 N -0.71 0.00 0.00 3.53 2.88 -1.26 -2.28 113.62 115.78 3hgq n SER 319 Ca -0.08 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 3hgq n SER 319 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 3hgq n SER 319 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3hgq n ASP 321 N 0.78 0.00 -0.14 -3.46 8.00 -1.26 -2.96 116.55 117.51 3hgq n ASP 321 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3hgq n ASP 321 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 3hgq n ASP 321 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hgq h VAL 322 N 0.00 1.27 0.13 2.53 2.07 -1.80 -0.27 116.25 120.18 3hgq h VAL 322 Ca 0.00 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 3hgq h VAL 322 Cb 0.00 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3hgq h VAL 322 CO 0.00 0.47 -0.09 -0.33 0.02 0.00 0.00 177.57 177.64 3hgq h GLU 323 N 0.74 -0.22 -0.98 1.57 5.08 -1.81 -0.26 114.58 118.72 3hgq h GLU 323 Ca 0.09 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 3hgq h GLU 323 Cb 0.80 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.04 3hgq h GLU 323 CO 0.07 -0.14 0.64 -0.09 -1.00 0.00 0.00 179.01 178.48 3hgq h ARG 324 N -0.22 1.19 -0.25 2.33 2.43 -1.83 -1.55 114.38 116.48 3hgq h ARG 324 Ca -0.01 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 3hgq h ARG 324 Cb 0.19 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3hgq h ARG 324 CO 0.00 0.79 0.07 1.03 -1.51 0.00 0.00 179.97 180.35 3hgq h SER 325 N 1.23 0.37 1.02 -3.80 0.87 -0.84 -3.11 113.55 109.30 3hgq h SER 325 Ca 0.39 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 3hgq h SER 325 Cb 0.01 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3hgq h SER 325 CO -0.13 0.49 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.51 3hgq h LEU 326 N 0.23 0.00 0.84 2.23 3.38 -0.54 -3.27 115.31 118.18 3hgq h LEU 326 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3hgq h LEU 326 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hgq h LEU 326 CO -0.00 0.09 -0.47 -0.07 0.09 0.00 0.00 178.44 178.07 3hgq h LEU 327 N 0.00 -1.17 0.00 1.67 3.38 -1.22 -3.51 115.31 114.46 3hgq h LEU 327 Ca -0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hgq h LEU 327 Cb 0.62 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3hgq h LEU 327 CO 0.01 -0.75 0.00 0.35 0.09 0.00 0.00 178.44 178.14