#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udg h ASP 18 N 0.00 -0.17 -0.76 -1.43 3.58 -2.04 -2.46 116.42 113.14 1udg h ASP 18 Ca 0.00 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1udg h ASP 18 Cb 0.00 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 1udg h ASP 18 CO 0.00 0.05 0.44 -0.25 -2.88 0.00 0.00 179.24 176.60 1udg h TRP 19 N -0.54 1.02 -0.75 0.28 2.91 -1.99 -1.00 115.95 115.88 1udg h TRP 19 Ca -0.02 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.06 1udg h TRP 19 Cb 0.15 -0.33 -0.06 0.00 -0.51 0.00 0.00 29.16 28.41 1udg h TRP 19 CO 0.03 0.70 0.43 1.15 -1.03 0.00 0.00 178.44 179.72 1udg h THR 20 N 1.04 0.96 -0.09 2.65 2.02 -2.00 -0.75 112.91 116.74 1udg h THR 20 Ca 0.27 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 1udg h THR 20 Cb -0.01 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1udg h THR 20 CO -0.05 0.14 -0.26 0.74 0.37 0.00 0.00 175.52 176.46 1udg h THR 21 N 0.76 1.41 -0.05 3.16 2.02 -1.02 -2.83 112.91 116.35 1udg h THR 21 Ca 0.34 -1.61 0.01 0.00 0.77 0.00 0.00 66.41 65.93 1udg h THR 21 Cb 0.24 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1udg h THR 21 CO -0.20 0.46 -0.02 0.15 0.37 0.00 0.00 175.52 176.28 1udg h PHE 22 N -0.13 -0.04 -0.03 3.16 3.57 -1.07 -1.71 116.94 120.69 1udg h PHE 22 Ca -0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1udg h PHE 22 Cb 0.88 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 1udg h PHE 22 CO 0.12 -0.03 -0.07 -0.09 -2.23 0.00 0.00 178.31 176.01 1udg h ARG 23 N -0.01 0.04 -0.10 1.11 2.43 -1.22 -2.46 114.38 114.17 1udg h ARG 23 Ca 0.03 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.03 1udg h ARG 23 Cb 0.05 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1udg h ARG 23 CO -0.06 0.12 -0.55 -0.09 -1.51 0.00 0.00 179.97 177.88 1udg h ARG 24 N 0.04 0.55 -0.75 0.20 2.43 -1.16 0.12 114.38 115.82 1udg h ARG 24 Ca 0.01 -0.46 -0.03 0.00 -0.81 0.00 0.00 59.98 58.69 1udg h ARG 24 Cb 0.15 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1udg h ARG 24 CO 0.01 1.08 0.34 0.28 -1.51 0.00 0.00 179.97 180.17 1udg h VAL 25 N 0.17 1.24 -0.01 0.20 2.07 -0.88 -3.11 116.25 115.92 1udg h VAL 25 Ca -0.04 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1udg h VAL 25 Cb 1.19 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1udg h VAL 25 CO 0.11 0.29 -0.20 0.49 0.02 0.00 0.00 177.57 178.29 1udg n PHE 26 N -4.31 0.00 -3.46 1.57 3.72 -1.01 -4.75 117.46 109.23 1udg n PHE 26 Ca 0.07 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.26 1udg n PHE 26 Cb 0.15 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.75 1udg n PHE 26 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1udg n LEU 27 N 0.29 -4.33 -4.79 4.37 4.32 0.33 -4.58 117.00 112.61 1udg n LEU 27 Ca 0.08 -0.82 -0.39 0.00 -0.02 0.00 0.00 56.01 54.86 1udg n LEU 27 Cb 0.37 -2.87 -0.06 0.00 -1.62 0.00 0.00 43.42 39.23 1udg n LEU 27 CO 0.16 0.28 0.27 -0.63 -1.22 0.00 0.00 177.39 176.25 1udg s ILE 28 N -3.44 4.83 0.12 -0.08 1.01 -0.68 -4.91 121.20 118.05 1udg s ILE 28 Ca 0.39 1.21 -0.31 0.00 0.00 0.00 0.00 60.65 61.94 1udg s ILE 28 Cb -0.09 -3.90 -0.07 0.00 0.01 0.00 0.00 42.46 38.41 1udg s ILE 28 CO 0.79 0.50 1.27 -0.62 0.00 0.00 0.00 174.94 176.87 1udg s ASP 29 N -0.70 6.98 0.39 3.58 -1.08 -1.26 -4.92 116.67 119.66 1udg s ASP 29 Ca 0.29 2.21 0.26 0.00 -0.52 0.00 0.00 52.55 54.79 1udg s ASP 29 Cb -0.19 -2.59 1.40 0.00 -1.46 0.00 0.00 42.92 40.08 1udg s ASP 29 CO 0.18 -0.51 1.78 -0.78 0.52 0.00 0.00 175.17 176.36 1udg h ASP 30 N 6.24 0.00 0.51 -0.34 3.58 -1.96 -2.44 116.42 122.01 1udg h ASP 30 Ca -0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1udg h ASP 30 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1udg h ASP 30 CO 0.81 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 177.17 1udg h ALA 31 N 1.95 1.00 -0.01 -0.78 0.00 -1.92 -1.70 119.26 117.79 1udg h ALA 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1udg h ALA 31 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1udg h ALA 31 CO 0.00 0.00 -0.36 0.91 0.00 0.00 0.00 179.25 179.80 1udg n TRP 32 N -2.81 0.00 -0.23 0.00 7.02 -0.92 -4.46 117.44 116.03 1udg n TRP 32 Ca -0.01 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.49 1udg n TRP 32 Cb 0.18 -0.09 0.09 0.00 -2.42 0.00 0.00 31.31 29.07 1udg n TRP 32 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 1udg h ARG 33 N 1.41 0.03 -0.49 -0.99 2.43 -1.49 0.34 114.38 115.63 1udg h ARG 33 Ca 0.00 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1udg h ARG 33 Cb 0.57 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 1udg h ARG 33 CO 0.00 0.02 0.32 -1.35 -1.51 0.00 0.00 179.97 177.45 1udg h PRO 34 N 0.03 0.50 0.17 0.20 0.11 -1.82 0.07 132.00 131.27 1udg h PRO 34 Ca 0.35 -0.03 -0.30 0.00 0.11 0.00 0.00 66.00 66.13 1udg h PRO 34 Cb 0.55 -0.11 0.02 0.00 0.11 0.00 0.00 31.00 31.57 1udg h PRO 34 CO -0.68 0.33 -1.33 -0.07 -0.21 0.00 0.00 178.00 176.05 1udg h LEU 35 N 0.51 0.64 0.05 2.35 -0.00 -1.28 -3.41 115.31 114.17 1udg h LEU 35 Ca 0.20 -0.67 -0.35 0.00 -0.00 0.00 0.00 57.88 57.06 1udg h LEU 35 Cb 0.16 -0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 40.56 1udg h LEU 35 CO -0.05 1.52 -2.08 0.23 -0.00 0.00 0.00 178.44 178.05 1udg n MET 36 N -3.64 0.69 -0.23 1.13 2.81 -0.56 -4.58 117.12 112.74 1udg n MET 36 Ca -0.12 0.20 0.03 0.00 -1.81 0.00 0.00 57.70 56.01 1udg n MET 36 Cb 1.05 -1.66 0.15 0.00 -0.71 0.00 0.00 33.22 32.05 1udg n MET 36 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1udg h GLU 37 N 0.03 0.39 -0.62 0.03 4.81 -1.21 -1.45 114.58 116.56 1udg h GLU 37 Ca -0.44 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 58.90 1udg h GLU 37 Cb 2.04 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 31.29 1udg h GLU 37 CO 0.04 0.26 0.42 -1.35 -0.73 0.00 0.00 179.01 177.65 1udg h PRO 38 N 0.40 0.26 -0.51 0.92 0.11 -1.79 -1.23 132.00 130.16 1udg h PRO 38 Ca 0.37 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.35 1udg h PRO 38 Cb 0.54 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1udg h PRO 38 CO -0.39 0.17 -0.15 0.93 -0.21 0.00 0.00 178.00 178.36 1udg h GLU 39 N 0.27 1.00 -0.97 1.05 4.39 -1.54 -3.13 114.58 115.66 1udg h GLU 39 Ca 0.29 -0.39 0.21 0.00 0.34 0.00 0.00 59.36 59.82 1udg h GLU 39 Cb 0.79 -0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.27 1udg h GLU 39 CO -0.07 1.07 0.55 -0.07 -1.16 0.00 0.00 179.01 179.34 1udg h LEU 40 N 0.88 0.65 -1.44 1.33 3.38 -1.05 -0.71 115.31 118.35 1udg h LEU 40 Ca 0.13 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 1udg h LEU 40 Cb 0.72 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1udg h LEU 40 CO 0.06 0.16 -0.27 0.00 0.09 0.00 0.00 178.44 178.48 1udg h ALA 41 N 1.68 1.31 -2.58 1.53 0.00 -1.57 -3.44 119.26 116.19 1udg h ALA 41 Ca 0.59 -0.25 -0.52 0.00 0.00 0.00 0.00 54.91 54.73 1udg h ALA 41 Cb 1.02 -0.04 0.05 0.00 0.00 0.00 0.00 17.79 18.82 1udg h ALA 41 CO -0.44 0.34 1.08 -1.71 0.00 0.00 0.00 179.25 178.52 1udg n ASN 42 N -3.87 4.07 -0.05 0.00 2.85 -0.27 -4.87 115.26 113.12 1udg n ASN 42 Ca -0.02 1.02 0.12 0.00 -0.11 0.00 0.00 54.58 55.60 1udg n ASN 42 Cb 0.36 -1.57 0.52 0.00 1.24 0.00 0.00 39.78 40.33 1udg n ASN 42 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1udg h PRO 43 N 7.79 0.34 0.00 1.20 0.11 -1.88 0.03 132.00 139.58 1udg h PRO 43 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1udg h PRO 43 Cb 1.21 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1udg h PRO 43 CO 0.95 0.22 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.87 1udg h LEU 44 N 0.35 0.00 -0.70 2.35 3.38 -1.94 -2.31 115.31 116.44 1udg h LEU 44 Ca 0.25 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 1udg h LEU 44 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1udg h LEU 44 CO -0.06 0.03 -0.02 0.74 0.09 0.00 0.00 178.44 179.22 1udg h THR 45 N 0.00 1.26 -0.58 0.22 2.02 -1.25 -2.71 112.91 111.87 1udg h THR 45 Ca -0.00 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 1udg h THR 45 Cb 0.05 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1udg h THR 45 CO 0.00 0.41 0.26 0.00 0.37 0.00 0.00 175.52 176.56 1udg h ALA 46 N 1.07 1.37 -0.29 6.16 0.00 -1.46 0.90 119.26 127.01 1udg h ALA 46 Ca 0.16 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1udg h ALA 46 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1udg h ALA 46 CO 0.03 0.49 -0.18 0.45 0.00 0.00 0.00 179.25 180.04 1udg h HIS 47 N 0.82 0.74 0.03 0.00 -0.00 -1.54 -1.25 115.15 113.96 1udg h HIS 47 Ca 0.20 -0.20 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1udg h HIS 47 Cb 0.11 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 1udg h HIS 47 CO 0.01 0.89 -0.05 1.25 -0.00 0.00 0.00 177.93 180.03 1udg h LEU 48 N 0.38 -0.12 -0.63 2.43 5.85 -1.02 -0.39 115.31 121.80 1udg h LEU 48 Ca 0.06 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1udg h LEU 48 Cb 0.72 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1udg h LEU 48 CO 0.05 -0.07 0.40 -0.07 -0.34 0.00 0.00 178.44 178.41 1udg h LEU 49 N -0.10 0.75 -0.63 2.25 4.07 -0.79 -1.16 115.31 119.71 1udg h LEU 49 Ca 0.01 -0.04 -0.10 0.00 0.08 0.00 0.00 57.88 57.83 1udg h LEU 49 Cb 0.10 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 1udg h LEU 49 CO -0.02 0.56 -0.04 0.00 -1.08 0.00 0.00 178.44 177.86 1udg h ALA 50 N 1.21 0.83 -0.51 1.53 0.00 -1.03 -1.61 119.26 119.69 1udg h ALA 50 Ca 0.23 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1udg h ALA 50 Cb -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1udg h ALA 50 CO -0.05 0.67 0.01 1.49 0.00 0.00 0.00 179.25 181.37 1udg h GLU 51 N 0.94 0.89 -0.33 0.00 4.57 -0.78 0.15 114.58 120.02 1udg h GLU 51 Ca 0.16 -0.28 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1udg h GLU 51 Cb 0.60 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 1udg h GLU 51 CO 0.04 0.91 0.20 -0.92 -1.18 0.00 0.00 179.01 178.07 1udg h TYR 52 N 0.76 0.39 -0.22 0.92 3.20 -1.11 -0.76 116.97 120.15 1udg h TYR 52 Ca 0.15 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 1udg h TYR 52 Cb 0.50 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1udg h TYR 52 CO 0.04 0.23 -0.16 -0.97 -1.64 0.00 0.00 178.16 175.66 1udg h ASN 53 N 0.42 0.36 -0.30 -2.11 -1.24 -0.91 -1.85 115.58 109.94 1udg h ASN 53 Ca 0.13 -0.09 -0.08 0.00 0.71 0.00 0.00 56.30 56.97 1udg h ASN 53 Cb -0.02 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 1udg h ASN 53 CO -0.05 0.55 -0.12 -0.09 -1.29 0.00 0.00 177.43 176.43 1udg h ARG 54 N 0.34 0.61 -0.55 6.67 2.43 -0.04 -2.53 114.38 121.31 1udg h ARG 54 Ca 0.06 -0.25 0.05 0.00 -0.81 0.00 0.00 59.98 59.03 1udg h ARG 54 Cb 0.49 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 1udg h ARG 54 CO 0.03 0.83 0.28 0.00 -1.51 0.00 0.00 179.97 179.59 1udg h ARG 55 N 0.37 0.52 0.00 0.20 2.47 -0.93 0.59 114.38 117.60 1udg h ARG 55 Ca 0.07 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1udg h ARG 55 Cb 0.63 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1udg h ARG 55 CO 0.04 0.34 -0.04 0.00 0.56 0.00 0.00 179.97 180.87 1udg h GLN 57 N 0.00 0.40 -0.26 0.00 4.20 -0.45 -3.37 115.11 115.62 1udg h GLN 57 Ca -0.00 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1udg h GLN 57 Cb 0.09 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1udg h GLN 57 CO 0.01 0.84 0.00 0.25 -0.67 0.00 0.00 178.83 179.25 1udg n THR 58 N -3.94 1.35 -3.71 -0.54 -2.24 -0.73 -5.07 114.28 99.39 1udg n THR 58 Ca -0.03 -1.27 -0.03 0.00 -2.27 0.00 0.00 64.05 60.46 1udg n THR 58 Cb 0.58 0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 1udg n THR 58 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1udg s GLU 59 N -1.52 1.03 -0.47 -0.78 -1.05 -0.47 -5.05 118.70 110.39 1udg s GLU 59 Ca 0.25 -0.55 -0.26 0.00 -0.15 0.00 0.00 54.97 54.25 1udg s GLU 59 Cb 0.16 0.36 0.03 0.00 -0.44 0.00 0.00 34.13 34.24 1udg s GLU 59 CO 0.11 -0.47 0.98 -1.21 0.95 0.00 0.00 175.26 175.63 1udg s GLU 60 N -3.12 3.57 -0.17 -4.83 2.02 -1.26 -4.61 118.70 110.30 1udg s GLU 60 Ca 0.12 0.24 -0.08 0.00 0.02 0.00 0.00 54.97 55.27 1udg s GLU 60 Cb -0.00 -3.93 -0.04 0.00 0.10 0.00 0.00 34.13 30.26 1udg s GLU 60 CO 0.00 -1.28 0.09 0.08 0.02 0.00 0.00 175.26 174.18 1udg s VAL 61 N 3.95 5.08 0.07 2.63 1.01 -1.26 -0.95 120.40 130.93 1udg s VAL 61 Ca 0.40 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.52 1udg s VAL 61 Cb -0.09 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1udg s VAL 61 CO 0.27 0.50 -0.21 -0.76 0.00 0.00 0.00 175.10 174.90 1udg s LEU 62 N -0.04 2.22 0.99 3.92 1.02 -0.62 -4.40 118.68 121.78 1udg s LEU 62 Ca 0.08 -0.59 -0.16 0.00 0.02 0.00 0.00 54.13 53.47 1udg s LEU 62 Cb -0.12 -0.96 0.21 0.00 0.02 0.00 0.00 46.19 45.34 1udg s LEU 62 CO 0.00 0.13 1.30 -2.16 0.02 0.00 0.00 176.35 175.64 1udg s PRO 63 N -1.49 0.42 0.77 1.29 0.04 -1.26 -0.94 135.00 133.83 1udg s PRO 63 Ca 0.07 -0.37 -0.15 0.00 0.04 0.00 0.00 61.00 60.60 1udg s PRO 63 Cb -0.09 -1.82 0.05 0.00 0.04 0.00 0.00 34.50 32.68 1udg s PRO 63 CO 0.03 -2.57 1.11 -2.30 0.04 0.00 0.00 177.00 173.31 1udg n PRO 64 N -3.88 0.37 -0.30 0.56 -0.02 -1.26 -4.71 135.00 125.75 1udg n PRO 64 Ca 0.15 0.19 0.11 0.00 -2.02 0.00 0.00 63.50 61.93 1udg n PRO 64 Cb 0.59 -2.36 0.28 0.00 -0.02 0.00 0.00 33.50 31.99 1udg n PRO 64 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1udg h ARG 65 N -0.57 0.45 0.00 -0.52 2.43 -1.97 -0.28 114.38 113.92 1udg h ARG 65 Ca -0.47 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1udg h ARG 65 Cb 1.31 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1udg h ARG 65 CO 0.46 0.30 0.00 0.39 -1.51 0.00 0.00 179.97 179.61 1udg n GLU 66 N -4.99 0.84 -0.03 0.20 4.71 -1.26 -2.69 120.64 117.42 1udg n GLU 66 Ca 0.20 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.40 1udg n GLU 66 Cb 0.58 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 29.38 1udg n GLU 66 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1udg n ASP 67 N -1.03 0.98 -0.33 1.62 8.00 -0.15 -4.58 116.55 121.06 1udg n ASP 67 Ca 0.21 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.85 1udg n ASP 67 Cb 0.11 1.55 0.33 0.00 -0.02 0.00 0.00 41.12 43.09 1udg n ASP 67 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1udg h VAL 68 N 0.00 0.59 -0.54 2.53 2.07 -1.24 -1.75 116.25 117.90 1udg h VAL 68 Ca -0.12 -0.20 -0.31 0.00 0.82 0.00 0.00 66.70 66.88 1udg h VAL 68 Cb 1.14 -0.06 -0.19 0.00 -1.52 0.00 0.00 31.29 30.67 1udg h VAL 68 CO 0.01 0.11 0.02 0.49 0.02 0.00 0.00 177.57 178.21 1udg n PHE 69 N -4.89 1.73 -0.04 1.57 3.72 -1.26 -4.73 117.46 113.56 1udg n PHE 69 Ca 0.24 -1.85 0.13 0.00 -0.05 0.00 0.00 57.45 55.92 1udg n PHE 69 Cb 0.65 -0.63 0.54 0.00 -0.94 0.00 0.00 39.48 39.10 1udg n PHE 69 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1udg h SER 70 N 1.22 0.27 0.00 4.37 4.64 -1.56 -1.76 113.55 120.74 1udg h SER 70 Ca 0.33 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1udg h SER 70 Cb 1.73 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.77 1udg h SER 70 CO 0.64 0.17 -0.00 4.11 -0.87 0.00 0.00 176.83 180.87 1udg h TRP 71 N 0.31 0.00 0.00 4.77 5.08 -1.84 0.15 115.95 124.41 1udg h TRP 71 Ca 0.24 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.21 1udg h TRP 71 Cb 0.56 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.72 1udg h TRP 71 CO -0.00 0.00 0.00 1.79 -1.28 0.00 0.00 178.44 178.95 1udg h THR 72 N 0.00 0.00 0.00 0.12 1.35 -1.62 -3.32 112.91 109.44 1udg h THR 72 Ca -0.00 -0.76 -0.03 0.00 -0.55 0.00 0.00 66.41 65.07 1udg h THR 72 Cb 0.00 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1udg h THR 72 CO 0.00 0.00 -1.27 0.54 -0.25 0.00 0.00 175.52 174.54 1udg n ARG 73 N -2.84 0.62 0.07 4.72 1.74 0.50 -4.41 116.66 117.06 1udg n ARG 73 Ca 0.04 0.08 -0.07 0.00 -0.77 0.00 0.00 57.85 57.12 1udg n ARG 73 Cb 0.46 -1.76 0.07 0.00 -1.02 0.00 0.00 32.46 30.21 1udg n ARG 73 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1udg h TYR 74 N 0.00 0.41 -3.31 -1.55 0.05 -1.64 -3.47 116.97 107.46 1udg h TYR 74 Ca -0.03 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.57 1udg h TYR 74 Cb 1.11 -0.07 -0.09 0.00 1.01 0.00 0.00 36.73 38.69 1udg h TYR 74 CO 0.00 0.88 0.04 0.00 -1.05 0.00 0.00 178.16 178.04 1udg s THR 76 N -3.91 3.14 0.25 0.00 -4.23 -1.26 -4.79 115.64 104.84 1udg s THR 76 Ca 0.12 -0.65 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 1udg s THR 76 Cb -0.02 -3.16 0.23 0.00 1.34 0.00 0.00 72.50 70.90 1udg s THR 76 CO 0.01 -0.11 1.85 -0.65 -0.54 0.00 0.00 174.62 175.19 1udg h PRO 77 N 0.24 0.96 0.00 3.99 0.11 -1.95 -1.62 132.00 133.74 1udg h PRO 77 Ca -0.43 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1udg h PRO 77 Cb 1.28 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1udg h PRO 77 CO 0.53 0.64 0.00 -0.25 -0.21 0.00 0.00 178.00 178.71 1udg n ASP 78 N -4.61 0.00 -0.23 -2.05 8.00 -1.26 -1.54 116.55 114.86 1udg n ASP 78 Ca 0.14 0.24 0.10 0.00 0.71 0.00 0.00 54.79 55.99 1udg n ASP 78 Cb 0.21 -0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 40.87 1udg n ASP 78 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1udg n GLU 79 N -1.37 0.64 -2.32 -1.24 1.02 -0.62 -4.96 120.64 111.80 1udg n GLU 79 Ca 0.06 -0.46 -0.42 0.00 -0.02 0.00 0.00 57.16 56.31 1udg n GLU 79 Cb 0.14 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 1udg n GLU 79 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1udg s VAL 80 N -2.72 3.91 -0.08 2.62 1.01 -0.59 -4.05 120.40 120.51 1udg s VAL 80 Ca 0.13 1.29 0.03 0.00 0.00 0.00 0.00 61.98 63.42 1udg s VAL 80 Cb 0.17 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 1udg s VAL 80 CO 0.72 0.01 -0.03 0.54 0.00 0.00 0.00 175.10 176.34 1udg n ARG 81 N 5.18 1.45 -4.31 2.72 1.74 0.85 -5.01 116.66 119.28 1udg n ARG 81 Ca 0.12 0.03 -0.18 0.00 -0.77 0.00 0.00 57.85 57.05 1udg n ARG 81 Cb 0.45 -1.17 -0.14 0.00 -1.02 0.00 0.00 32.46 30.58 1udg n ARG 81 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1udg s VAL 82 N -2.17 0.71 -0.18 1.55 1.01 -0.98 -2.60 120.40 117.74 1udg s VAL 82 Ca -0.08 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1udg s VAL 82 Cb 0.02 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.80 1udg s VAL 82 CO 0.23 0.10 -0.19 -0.69 0.00 0.00 0.00 175.10 174.55 1udg s VAL 83 N -0.41 2.11 -0.17 2.92 1.01 -0.25 -0.11 120.40 125.51 1udg s VAL 83 Ca 0.02 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1udg s VAL 83 Cb -0.05 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1udg s VAL 83 CO -0.00 0.53 -0.11 -0.63 0.00 0.00 0.00 175.10 174.89 1udg s ILE 84 N 1.30 3.04 -0.16 2.22 1.01 -0.45 -1.13 121.20 127.03 1udg s ILE 84 Ca 0.05 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 59.98 1udg s ILE 84 Cb -0.13 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 1udg s ILE 84 CO -0.13 0.49 0.12 -0.63 0.00 0.00 0.00 174.94 174.80 1udg s ILE 85 N 0.84 5.34 0.38 2.92 -1.09 -1.22 -1.42 121.20 126.94 1udg s ILE 85 Ca -0.03 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 1udg s ILE 85 Cb -0.15 -3.38 -0.00 0.00 -1.58 0.00 0.00 42.46 37.35 1udg s ILE 85 CO 0.00 0.53 0.01 0.61 -1.23 0.00 0.00 174.94 174.86 1udg n GLY 86 N 2.77 3.70 0.00 6.18 0.00 -0.30 -4.69 105.19 112.85 1udg n GLY 86 Ca -0.18 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.53 1udg n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1udg n GLN 87 N -0.93 0.00 -4.27 1.61 3.00 -1.26 -1.88 117.38 113.65 1udg n GLN 87 Ca -0.15 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.69 1udg n GLN 87 Cb 0.48 -0.02 -0.10 0.00 0.00 0.00 0.00 30.24 30.61 1udg n GLN 87 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1udg s ASP 88 N -1.00 1.47 0.72 1.08 -4.77 -1.26 -0.63 116.67 112.29 1udg s ASP 88 Ca 0.00 -1.18 -0.15 0.00 -3.30 0.00 0.00 52.55 47.92 1udg s ASP 88 Cb 0.00 0.07 0.03 0.00 -1.09 0.00 0.00 42.92 41.94 1udg s ASP 88 CO 0.00 -0.53 1.17 -2.84 0.70 0.00 0.00 175.17 173.67 1udg s PRO 89 N -3.89 2.26 0.38 2.11 0.02 -1.25 -4.96 135.00 129.67 1udg s PRO 89 Ca 0.25 1.63 -0.27 0.00 0.02 0.00 0.00 61.00 62.63 1udg s PRO 89 Cb 0.06 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.60 1udg s PRO 89 CO 0.05 -1.71 1.30 0.66 -0.33 0.00 0.00 177.00 176.97 1udg n TYR 90 N -2.74 2.28 -0.36 6.54 4.01 -1.26 -4.84 117.16 120.79 1udg n TYR 90 Ca 0.12 0.52 0.11 0.00 -0.16 0.00 0.00 57.90 58.49 1udg n TYR 90 Cb 0.51 -2.41 0.33 0.00 -0.31 0.00 0.00 39.34 37.46 1udg n TYR 90 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 1udg n HIS 91 N 0.12 1.11 -4.62 -0.72 1.44 -1.26 -4.55 115.22 106.74 1udg n HIS 91 Ca 0.05 -0.51 -0.34 0.00 -2.01 0.00 0.00 57.72 54.91 1udg n HIS 91 Cb 0.38 -0.07 -0.11 0.00 0.12 0.00 0.00 29.99 30.30 1udg n HIS 91 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1udg s HIS 92 N -1.28 2.93 0.39 -1.40 3.76 -1.26 -0.66 115.29 117.77 1udg s HIS 92 Ca 0.49 -0.01 -0.26 0.00 -0.15 0.00 0.00 55.06 55.13 1udg s HIS 92 Cb 0.27 -1.72 -0.11 0.00 1.11 0.00 0.00 32.58 32.13 1udg s HIS 92 CO 0.30 0.30 1.12 -0.35 -0.85 0.00 0.00 174.74 175.26 1udg n PRO 93 N 2.32 1.63 0.00 8.40 -0.04 -1.26 -3.10 135.00 142.95 1udg n PRO 93 Ca -0.18 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1udg n PRO 93 Cb 0.53 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 1udg n PRO 93 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1udg n GLY 94 N 1.03 1.74 0.03 0.55 0.00 -1.26 -4.91 105.19 102.37 1udg n GLY 94 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 1udg n GLY 94 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1udg h GLN 95 N 2.84 0.00 -7.03 1.61 4.20 -1.91 -3.40 115.11 111.42 1udg h GLN 95 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 1udg h GLN 95 Cb 0.00 0.00 0.08 0.00 0.30 0.00 0.00 27.48 27.86 1udg h GLN 95 CO 0.00 0.00 0.49 0.00 -0.67 0.00 0.00 178.83 178.65 1udg s ALA 96 N -2.87 2.85 0.00 3.87 0.00 -1.26 -2.63 121.76 121.72 1udg s ALA 96 Ca -0.06 0.96 0.01 0.00 0.00 0.00 0.00 51.96 52.87 1udg s ALA 96 Cb 0.01 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1udg s ALA 96 CO 0.09 -0.81 0.85 -2.39 0.00 0.00 0.00 175.76 173.50 1udg n HIS 97 N -0.83 0.00 0.00 0.00 1.44 -1.26 -4.83 115.22 109.74 1udg n HIS 97 Ca 0.09 -0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1udg n HIS 97 Cb 0.48 0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.64 1udg n HIS 97 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1udg n GLY 98 N 0.01 0.62 3.53 -1.39 0.00 -1.24 -4.67 105.19 102.06 1udg n GLY 98 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1udg n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1udg s LEU 99 N 0.00 2.91 0.37 0.99 1.43 -1.26 -4.24 118.68 118.88 1udg s LEU 99 Ca 0.00 -0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 52.53 1udg s LEU 99 Cb 0.00 -1.69 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 1udg s LEU 99 CO 0.00 0.26 1.22 0.00 0.23 0.00 0.00 176.35 178.05 1udg s ALA 100 N -1.00 3.28 0.00 4.21 0.00 -0.94 -3.85 121.76 123.45 1udg s ALA 100 Ca 0.17 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1udg s ALA 100 Cb -0.11 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1udg s ALA 100 CO 0.08 -0.57 0.00 1.19 0.00 0.00 0.00 175.76 176.45 1udg n PHE 101 N 0.37 0.00 -2.09 0.00 3.72 -1.26 -4.89 117.46 113.31 1udg n PHE 101 Ca 0.03 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.03 1udg n PHE 101 Cb 0.45 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.97 1udg n PHE 101 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1udg s SER 102 N 0.00 6.53 0.22 4.37 0.15 -1.25 -4.85 113.70 118.87 1udg s SER 102 Ca 0.00 2.66 0.10 0.00 0.70 0.00 0.00 55.95 59.42 1udg s SER 102 Cb 0.00 -2.64 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 1udg s SER 102 CO 0.00 -0.70 -0.20 0.68 1.20 0.00 0.00 173.24 174.22 1udg s VAL 103 N -1.21 2.17 0.47 4.45 -7.23 -0.94 -4.54 120.40 113.56 1udg s VAL 103 Ca 0.53 -2.15 -0.24 0.00 -1.81 0.00 0.00 61.98 58.30 1udg s VAL 103 Cb -0.39 -2.10 -0.08 0.00 0.56 0.00 0.00 36.38 34.37 1udg s VAL 103 CO 0.51 -0.33 1.32 0.54 -0.31 0.00 0.00 175.10 176.82 1udg n ARG 104 N -0.11 1.91 -0.31 4.82 1.74 -1.08 -2.83 116.66 120.80 1udg n ARG 104 Ca -0.10 0.69 0.30 0.00 -0.77 0.00 0.00 57.85 57.97 1udg n ARG 104 Cb 0.58 -2.48 0.54 0.00 -1.02 0.00 0.00 32.46 30.08 1udg n ARG 104 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1udg n ALA 105 N -0.46 0.96 -1.21 7.54 0.00 -1.26 -1.12 120.51 124.96 1udg n ALA 105 Ca 0.07 0.89 -0.14 0.00 0.00 0.00 0.00 53.44 54.26 1udg n ALA 105 Cb 0.42 -0.91 0.22 0.00 0.00 0.00 0.00 19.45 19.17 1udg n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1udg n ASN 106 N -4.93 3.83 -4.38 0.00 3.02 -1.26 -4.63 115.26 106.91 1udg n ASN 106 Ca 0.34 -3.51 -0.35 0.00 -0.03 0.00 0.00 54.58 51.03 1udg n ASN 106 Cb 1.19 -0.77 -0.13 0.00 -0.61 0.00 0.00 39.78 39.46 1udg n ASN 106 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1udg s VAL 107 N -3.19 3.60 0.24 2.41 1.01 -0.28 -5.08 120.40 119.11 1udg s VAL 107 Ca 0.54 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.78 1udg s VAL 107 Cb 0.45 -2.62 -0.11 0.00 0.00 0.00 0.00 36.38 34.10 1udg s VAL 107 CO 0.10 0.43 1.55 -2.84 0.00 0.00 0.00 175.10 174.34 1udg s PRO 108 N 1.16 4.20 -0.13 2.72 0.02 -1.26 -4.47 135.00 137.24 1udg s PRO 108 Ca 0.02 2.43 -0.35 0.00 0.02 0.00 0.00 61.00 63.12 1udg s PRO 108 Cb -0.15 -3.09 -0.12 0.00 0.02 0.00 0.00 34.50 31.16 1udg s PRO 108 CO -0.00 -0.56 1.87 -2.30 -0.33 0.00 0.00 177.00 175.68 1udg n PRO 109 N 2.87 2.00 -0.63 5.54 -0.02 -1.26 -4.97 135.00 138.53 1udg n PRO 109 Ca 0.10 0.73 -0.29 0.00 -2.02 0.00 0.00 63.50 62.02 1udg n PRO 109 Cb 0.38 -2.57 0.26 0.00 -0.02 0.00 0.00 33.50 31.56 1udg n PRO 109 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1udg s PRO 110 N 4.09 -1.59 0.15 0.52 0.02 -1.26 -4.57 135.00 132.36 1udg s PRO 110 Ca 0.94 0.40 -0.24 0.00 0.02 0.00 0.00 61.00 62.13 1udg s PRO 110 Cb -0.75 -1.51 0.03 0.00 0.02 0.00 0.00 34.50 32.29 1udg s PRO 110 CO 0.54 -4.06 1.60 -1.35 -0.33 0.00 0.00 177.00 173.40 1udg h PRO 111 N -2.85 -0.28 -0.59 5.54 0.11 -2.00 -1.70 132.00 130.24 1udg h PRO 111 Ca -0.53 0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.61 1udg h PRO 111 Cb 1.33 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.48 1udg h PRO 111 CO 0.42 -0.19 0.39 0.77 -0.21 0.00 0.00 178.00 179.17 1udg h SER 112 N -0.29 0.67 -0.40 -2.05 0.02 -1.92 -2.77 113.55 106.81 1udg h SER 112 Ca 0.15 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1udg h SER 112 Cb 0.53 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1udg h SER 112 CO -0.47 0.48 0.04 0.25 -1.14 0.00 0.00 176.83 175.99 1udg h LEU 113 N 0.79 0.72 -0.52 5.07 5.85 -1.86 -2.57 115.31 122.79 1udg h LEU 113 Ca 0.22 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1udg h LEU 113 Cb -0.08 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1udg h LEU 113 CO -0.05 0.77 0.30 0.03 -0.34 0.00 0.00 178.44 179.14 1udg h ARG 114 N 0.72 0.57 -0.71 1.25 3.08 -1.08 -1.88 114.38 116.33 1udg h ARG 114 Ca 0.15 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1udg h ARG 114 Cb 0.39 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1udg h ARG 114 CO 0.01 0.38 0.46 -0.91 -1.07 0.00 0.00 179.97 178.84 1udg h ASN 115 N 0.59 0.82 0.25 7.04 -0.26 -1.20 0.22 115.58 123.04 1udg h ASN 115 Ca 0.21 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.92 1udg h ASN 115 Cb 0.05 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.11 1udg h ASN 115 CO -0.11 0.60 -0.12 0.58 -1.06 0.00 0.00 177.43 177.32 1udg h VAL 116 N 0.96 0.81 -0.35 2.81 2.07 -1.10 -1.40 116.25 120.04 1udg h VAL 116 Ca 0.26 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1udg h VAL 116 Cb -0.09 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1udg h VAL 116 CO -0.05 0.08 0.08 -0.07 0.02 0.00 0.00 177.57 177.63 1udg h LEU 117 N -0.52 0.47 -0.45 2.57 3.38 -1.20 -1.53 115.31 118.03 1udg h LEU 117 Ca -0.03 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1udg h LEU 117 Cb 0.39 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1udg h LEU 117 CO 0.06 0.48 0.10 0.00 0.09 0.00 0.00 178.44 179.17 1udg h ALA 118 N 1.59 0.60 -0.65 1.53 0.00 -0.41 -2.79 119.26 119.13 1udg h ALA 118 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1udg h ALA 118 Cb 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1udg h ALA 118 CO -0.00 0.29 0.33 0.00 0.00 0.00 0.00 179.25 179.86 1udg h ALA 119 N 0.97 0.84 -0.27 0.00 0.00 -0.74 -2.07 119.26 117.98 1udg h ALA 119 Ca 0.14 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1udg h ALA 119 Cb 0.34 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1udg h ALA 119 CO 0.00 0.38 0.09 0.28 0.00 0.00 0.00 179.25 180.00 1udg h VAL 120 N 0.89 0.92 -0.79 0.00 2.07 -1.18 -1.75 116.25 116.41 1udg h VAL 120 Ca 0.23 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 1udg h VAL 120 Cb 0.09 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1udg h VAL 120 CO -0.03 0.04 0.47 0.50 0.02 0.00 0.00 177.57 178.57 1udg h LYS 121 N 0.20 1.07 -0.47 1.57 1.63 -1.33 0.24 116.57 119.49 1udg h LYS 121 Ca 0.12 -0.10 -0.12 0.00 -0.85 0.00 0.00 60.65 59.71 1udg h LYS 121 Cb 0.09 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 1udg h LYS 121 CO -0.13 0.75 -0.17 -0.91 -3.45 0.00 0.00 179.45 175.55 1udg h ASN 122 N 1.09 0.93 -0.09 4.20 2.35 -1.12 -2.80 115.58 120.16 1udg h ASN 122 Ca 0.28 -0.32 -0.18 0.00 -0.55 0.00 0.00 56.30 55.53 1udg h ASN 122 Cb -0.04 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.07 1udg h ASN 122 CO -0.05 1.08 -0.60 0.00 -1.65 0.00 0.00 177.43 176.21 1udg s TYR 124 N -3.97 1.61 0.23 0.00 1.51 0.78 -4.92 117.35 112.59 1udg s TYR 124 Ca -0.09 -2.31 0.36 0.00 -1.01 0.00 0.00 57.07 54.02 1udg s TYR 124 Cb 0.10 -1.47 1.72 0.00 -0.11 0.00 0.00 41.96 42.20 1udg s TYR 124 CO 0.87 -0.78 2.08 -1.35 -1.11 0.00 0.00 175.55 175.26 1udg h PRO 125 N 6.34 0.00 -0.48 -1.71 0.11 -1.70 -0.88 132.00 133.68 1udg h PRO 125 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1udg h PRO 125 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1udg h PRO 125 CO 0.42 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.30 1udg n GLU 126 N -2.94 1.51 -2.44 1.05 2.13 -1.26 -4.90 120.64 113.78 1udg n GLU 126 Ca -0.01 -0.55 -0.41 0.00 0.66 0.00 0.00 57.16 56.86 1udg n GLU 126 Cb 0.19 -1.34 -0.04 0.00 0.27 0.00 0.00 31.44 30.52 1udg n GLU 126 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1udg s ALA 127 N -1.61 3.41 -1.20 4.31 0.00 -0.33 -4.98 121.76 121.36 1udg s ALA 127 Ca 0.10 0.92 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 1udg s ALA 127 Cb 0.06 -3.35 0.20 0.00 0.00 0.00 0.00 23.12 20.03 1udg s ALA 127 CO 0.05 -0.22 1.51 0.54 0.00 0.00 0.00 175.76 177.64 1udg n ARG 128 N 1.49 3.59 -2.50 0.00 1.74 -1.26 -5.00 116.66 114.73 1udg n ARG 128 Ca 0.00 -3.94 -0.43 0.00 -0.77 0.00 0.00 57.85 52.72 1udg n ARG 128 Cb 0.45 -2.87 -0.02 0.00 -1.02 0.00 0.00 32.46 28.99 1udg n ARG 128 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1udg s MET 129 N 0.29 4.32 0.17 5.56 -1.94 -1.26 -3.46 119.30 122.97 1udg s MET 129 Ca 0.39 1.60 0.26 0.00 -1.71 0.00 0.00 55.69 56.23 1udg s MET 129 Cb 0.00 -3.62 0.85 0.00 2.01 0.00 0.00 34.83 34.07 1udg s MET 129 CO 0.00 -0.52 1.77 -1.13 -0.01 0.00 0.00 175.02 175.13 1udg n SER 130 N 5.66 0.67 0.00 3.03 3.41 0.24 -4.90 113.62 121.72 1udg n SER 130 Ca 0.12 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1udg n SER 130 Cb 0.46 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1udg n SER 130 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1udg n GLY 131 N 1.35 1.93 3.91 5.00 0.00 -1.26 -5.02 105.19 111.09 1udg n GLY 131 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1udg n GLY 131 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1udg s HIS 132 N -2.74 3.19 -1.18 1.61 3.76 -1.26 -4.82 115.29 113.85 1udg s HIS 132 Ca 0.00 0.66 0.12 0.00 -0.15 0.00 0.00 55.06 55.69 1udg s HIS 132 Cb 0.00 -2.90 0.24 0.00 1.11 0.00 0.00 32.58 31.03 1udg s HIS 132 CO 0.00 -1.02 1.13 0.41 -0.85 0.00 0.00 174.74 174.41 1udg n GLY 133 N -2.73 1.67 3.66 -2.22 0.00 -1.26 -4.96 105.19 99.34 1udg n GLY 133 Ca 0.06 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1udg n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udg n LEU 135 N 6.04 6.20 -0.16 0.00 4.77 -1.26 -4.59 117.00 128.00 1udg n LEU 135 Ca 0.10 -3.52 -0.03 0.00 -0.03 0.00 0.00 56.01 52.53 1udg n LEU 135 Cb 0.47 -0.79 0.18 0.00 -2.33 0.00 0.00 43.42 40.95 1udg n LEU 135 CO 0.51 1.01 1.02 -0.08 -1.33 0.00 0.00 177.39 178.52 1udg h GLU 136 N 1.44 0.89 -0.73 3.23 4.81 -1.94 -1.86 114.58 120.42 1udg h GLU 136 Ca 0.48 -0.16 0.05 0.00 -0.13 0.00 0.00 59.36 59.60 1udg h GLU 136 Cb 2.56 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 31.75 1udg h GLU 136 CO 0.91 0.76 0.43 -0.22 -0.73 0.00 0.00 179.01 180.16 1udg h LYS 137 N 0.87 0.79 -0.09 1.92 3.64 -1.96 0.04 116.57 121.78 1udg h LYS 137 Ca 0.20 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1udg h LYS 137 Cb 0.24 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1udg h LYS 137 CO -0.01 0.52 0.03 -1.49 -2.27 0.00 0.00 179.45 176.23 1udg h TRP 138 N 0.81 0.14 -0.57 1.91 4.06 -1.81 -2.33 115.95 118.16 1udg h TRP 138 Ca 0.31 -0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.33 1udg h TRP 138 Cb 0.13 -0.04 -0.06 0.00 -1.00 0.00 0.00 29.16 28.19 1udg h TRP 138 CO -0.05 0.27 0.24 0.00 -3.56 0.00 0.00 178.44 175.33 1udg h ALA 139 N 0.86 0.73 0.00 1.49 0.00 -0.92 0.30 119.26 121.72 1udg h ALA 139 Ca 0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1udg h ALA 139 Cb 0.19 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1udg h ALA 139 CO -0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 179.25 179.01 1udg h ARG 140 N 0.44 0.00 -0.42 0.00 3.08 -0.91 -2.33 114.38 114.24 1udg h ARG 140 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1udg h ARG 140 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1udg h ARG 140 CO -0.26 0.09 0.00 -0.25 -1.07 0.00 0.00 179.97 178.48 1udg n ASP 141 N -3.41 1.97 0.00 7.04 8.00 0.04 -4.81 116.55 125.38 1udg n ASP 141 Ca -0.01 -2.08 0.00 0.00 0.71 0.00 0.00 54.79 53.41 1udg n ASP 141 Cb 0.24 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1udg n ASP 141 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1udg n GLY 142 N 0.86 0.57 3.44 0.44 0.00 -0.88 -4.74 105.19 104.89 1udg n GLY 142 Ca 0.11 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 45.17 1udg n GLY 142 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1udg s VAL 143 N -2.00 4.86 -0.42 1.61 1.01 -0.87 -0.11 120.40 124.48 1udg s VAL 143 Ca 0.00 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.21 1udg s VAL 143 Cb 0.00 -4.32 0.02 0.00 0.00 0.00 0.00 36.38 32.08 1udg s VAL 143 CO 0.00 -0.84 0.95 -0.22 0.00 0.00 0.00 175.10 175.00 1udg s LEU 144 N 2.66 3.96 -0.71 3.92 2.96 0.84 -3.90 118.68 128.41 1udg s LEU 144 Ca 0.15 0.40 -0.15 0.00 -0.22 0.00 0.00 54.13 54.31 1udg s LEU 144 Cb -0.19 -3.28 0.18 0.00 0.50 0.00 0.00 46.19 43.40 1udg s LEU 144 CO 0.12 -0.98 0.67 -0.76 -1.32 0.00 0.00 176.35 174.08 1udg s LEU 145 N 3.70 6.46 -0.19 -0.68 1.43 -1.26 -1.34 118.68 126.80 1udg s LEU 145 Ca 0.39 -2.29 -0.02 0.00 -1.03 0.00 0.00 54.13 51.19 1udg s LEU 145 Cb -0.11 -2.22 -0.00 0.00 0.03 0.00 0.00 46.19 43.89 1udg s LEU 145 CO 0.23 -0.71 -0.11 -0.22 0.23 0.00 0.00 176.35 175.77 1udg s LEU 146 N 0.86 2.65 0.29 1.79 2.96 -0.51 -2.22 118.68 124.50 1udg s LEU 146 Ca 0.12 -0.44 -0.20 0.00 -0.22 0.00 0.00 54.13 53.39 1udg s LEU 146 Cb -0.18 -1.64 -0.09 0.00 0.50 0.00 0.00 46.19 44.78 1udg s LEU 146 CO -0.04 0.03 0.80 0.20 -1.32 0.00 0.00 176.35 176.02 1udg s ASN 147 N 1.13 7.04 0.24 3.68 0.01 -1.26 -1.15 114.94 124.63 1udg s ASN 147 Ca 0.01 1.51 0.12 0.00 -0.71 0.00 0.00 52.86 53.78 1udg s ASN 147 Cb -0.14 -2.46 0.16 0.00 0.41 0.00 0.00 41.25 39.22 1udg s ASN 147 CO -0.03 -0.08 1.49 0.71 -1.51 0.00 0.00 177.10 177.67 1udg h THR 148 N 2.45 1.32 -3.32 1.60 1.35 -1.02 -3.42 112.91 111.86 1udg h THR 148 Ca -0.48 -2.48 -0.66 0.00 -0.55 0.00 0.00 66.41 62.25 1udg h THR 148 Cb 1.19 2.40 -0.28 0.00 -1.73 0.00 0.00 68.15 69.73 1udg h THR 148 CO 0.65 0.67 -0.75 -0.89 -0.25 0.00 0.00 175.52 174.94 1udg s THR 149 N -3.17 3.14 -1.74 6.82 2.01 0.20 -2.12 115.64 120.77 1udg s THR 149 Ca 0.01 -0.60 0.25 0.00 0.31 0.00 0.00 61.69 61.66 1udg s THR 149 Cb 0.10 -2.36 0.18 0.00 0.01 0.00 0.00 72.50 70.43 1udg s THR 149 CO 0.76 0.49 1.44 0.18 -0.69 0.00 0.00 174.62 176.80 1udg n LEU 150 N 4.10 1.20 -3.93 4.42 4.77 -1.26 -3.97 117.00 122.33 1udg n LEU 150 Ca -0.18 -0.35 -0.08 0.00 -0.03 0.00 0.00 56.01 55.36 1udg n LEU 150 Cb 0.52 -0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1udg n LEU 150 CO 0.30 0.23 -0.17 0.42 -1.33 0.00 0.00 177.39 176.84 1udg s THR 151 N -2.54 0.16 -0.03 -5.08 -4.23 -1.26 -4.41 115.64 98.25 1udg s THR 151 Ca 0.22 -1.37 -0.14 0.00 -1.18 0.00 0.00 61.69 59.22 1udg s THR 151 Cb 0.19 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.63 1udg s THR 151 CO 0.55 -0.73 0.31 0.54 -0.54 0.00 0.00 174.62 174.75 1udg s VAL 152 N -3.88 0.05 0.15 2.29 0.11 -0.12 -4.49 120.40 114.51 1udg s VAL 152 Ca 0.06 -0.41 -0.30 0.00 -2.93 0.00 0.00 61.98 58.41 1udg s VAL 152 Cb 0.06 -0.58 -0.07 0.00 -1.53 0.00 0.00 36.38 34.26 1udg s VAL 152 CO -0.10 -0.22 1.01 -0.75 -3.33 0.00 0.00 175.10 171.70 1udg s LYS 153 N -1.08 4.69 -0.19 1.54 2.20 -1.26 -1.59 119.74 124.05 1udg s LYS 153 Ca -0.11 1.55 -0.40 0.00 -0.36 0.00 0.00 55.97 56.65 1udg s LYS 153 Cb -0.05 -3.33 -0.17 0.00 -1.51 0.00 0.00 37.83 32.77 1udg s LYS 153 CO 0.04 0.21 1.55 -2.13 -0.36 0.00 0.00 175.35 174.66 1udg n ARG 154 N 2.44 0.87 0.00 4.03 0.63 -0.12 -1.73 116.66 122.78 1udg n ARG 154 Ca 0.02 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 1udg n ARG 154 Cb 0.48 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.44 1udg n ARG 154 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1udg n GLY 155 N 3.46 3.04 3.25 5.14 0.00 0.17 -4.97 105.19 115.26 1udg n GLY 155 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1udg n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udg s ALA 156 N -1.35 3.35 0.28 4.61 0.00 -0.70 -5.05 121.76 122.90 1udg s ALA 156 Ca 0.00 -2.32 -0.29 0.00 0.00 0.00 0.00 51.96 49.34 1udg s ALA 156 Cb 0.00 -2.75 -0.10 0.00 0.00 0.00 0.00 23.12 20.27 1udg s ALA 156 CO 0.00 -1.77 1.34 0.00 0.00 0.00 0.00 175.76 175.33 1udg s ALA 157 N 1.41 3.54 0.00 0.00 0.00 -1.26 -2.83 121.76 122.61 1udg s ALA 157 Ca 0.04 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1udg s ALA 157 Cb -0.25 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1udg s ALA 157 CO 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 175.76 175.13 1udg n ALA 158 N 1.67 0.00 0.32 0.00 0.00 -1.26 -4.90 120.51 116.34 1udg n ALA 158 Ca 0.03 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.67 1udg n ALA 158 Cb 0.42 -0.63 1.06 0.00 0.00 0.00 0.00 19.45 20.30 1udg n ALA 158 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1udg h SER 159 N 0.00 0.00 -0.42 0.00 4.64 -1.87 -2.47 113.55 113.43 1udg h SER 159 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1udg h SER 159 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1udg h SER 159 CO 0.00 0.01 0.00 1.41 -0.87 0.00 0.00 176.83 177.38 1udg n HIS 160 N -3.36 0.81 0.25 4.77 8.25 -1.26 -4.74 115.22 119.94 1udg n HIS 160 Ca -0.03 -0.61 0.13 0.00 -0.26 0.00 0.00 57.72 56.95 1udg n HIS 160 Cb 0.10 -0.13 0.61 0.00 1.12 0.00 0.00 29.99 31.70 1udg n HIS 160 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1udg h SER 161 N 2.56 0.00 -0.07 0.41 0.02 -1.75 -2.79 113.55 111.92 1udg h SER 161 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1udg h SER 161 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1udg h SER 161 CO 0.09 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.32 1udg n ARG 162 N -2.36 2.54 0.11 3.45 1.74 -1.26 -4.64 116.66 116.24 1udg n ARG 162 Ca -0.00 -1.96 0.12 0.00 -0.77 0.00 0.00 57.85 55.24 1udg n ARG 162 Cb 0.11 -1.23 0.25 0.00 -1.02 0.00 0.00 32.46 30.56 1udg n ARG 162 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 1udg h ILE 163 N 0.46 0.00 0.00 0.55 3.07 -1.85 -3.48 117.51 116.26 1udg h ILE 163 Ca 0.00 -0.61 0.00 0.00 1.55 0.00 0.00 64.86 65.80 1udg h ILE 163 Cb 0.74 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1udg h ILE 163 CO 0.02 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.73 1udg n GLY 164 N 1.27 0.94 0.37 0.16 0.00 -1.26 -4.48 105.19 102.19 1udg n GLY 164 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 1udg n GLY 164 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1udg h TRP 165 N 0.00 1.26 -0.28 1.61 4.06 -1.85 -3.07 115.95 117.67 1udg h TRP 165 Ca 0.00 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 1udg h TRP 165 Cb 0.00 -0.41 -0.02 0.00 -1.00 0.00 0.00 29.16 27.73 1udg h TRP 165 CO 0.00 0.83 -0.00 0.38 -3.56 0.00 0.00 178.44 176.09 1udg h ASP 166 N 1.32 0.40 -0.21 -3.49 3.04 -1.77 0.99 116.42 116.69 1udg h ASP 166 Ca 0.35 -0.06 -0.04 0.00 -3.24 0.00 0.00 57.03 54.03 1udg h ASP 166 Cb -0.07 -0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 38.11 1udg h ASP 166 CO -0.07 0.46 -0.04 0.08 -2.04 0.00 0.00 179.24 177.64 1udg h ARG 167 N 0.42 0.39 0.16 4.15 0.11 -1.85 -0.27 114.38 117.48 1udg h ARG 167 Ca 0.09 -0.14 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 1udg h ARG 167 Cb 0.28 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.33 1udg h ARG 167 CO 0.01 0.62 -0.08 0.35 0.10 0.00 0.00 179.97 180.98 1udg h PHE 168 N 0.12 -0.20 -0.41 4.08 3.57 -1.44 -1.47 116.94 121.20 1udg h PHE 168 Ca 0.05 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1udg h PHE 168 Cb 0.47 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1udg h PHE 168 CO 0.05 -0.02 0.25 0.28 -2.23 0.00 0.00 178.31 176.63 1udg h VAL 169 N -0.33 1.13 -0.89 1.41 2.07 -0.83 -2.44 116.25 116.36 1udg h VAL 169 Ca -0.02 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.25 1udg h VAL 169 Cb 0.26 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1udg h VAL 169 CO 0.04 0.13 0.59 1.23 0.02 0.00 0.00 177.57 179.57 1udg h GLY 170 N 0.53 1.29 1.03 2.17 0.00 -1.05 -0.45 103.07 106.59 1udg h GLY 170 Ca 0.15 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1udg h GLY 170 CO -0.03 0.35 0.46 -1.33 0.00 0.00 0.00 176.54 175.99 1udg h GLY 171 N 1.09 1.32 1.28 4.60 0.00 -0.81 -0.92 103.07 109.62 1udg h GLY 171 Ca 0.36 -0.62 -0.18 0.00 0.00 0.00 0.00 47.33 46.90 1udg h GLY 171 CO -0.12 0.59 -0.55 -2.08 0.00 0.00 0.00 176.54 174.38 1udg h VAL 172 N 1.23 1.29 -0.35 4.60 2.07 -0.97 -2.87 116.25 121.26 1udg h VAL 172 Ca 0.30 -1.76 -0.13 0.00 0.82 0.00 0.00 66.70 65.94 1udg h VAL 172 Cb 0.06 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1udg h VAL 172 CO -0.05 0.56 -0.30 0.40 0.02 0.00 0.00 177.57 178.21 1udg h ILE 173 N 0.58 1.28 -0.51 4.57 1.08 -0.86 -1.36 117.51 122.29 1udg h ILE 173 Ca 0.01 -1.43 -0.00 0.00 -0.39 0.00 0.00 64.86 63.05 1udg h ILE 173 Cb 1.13 1.33 -0.02 0.00 -3.07 0.00 0.00 36.82 36.19 1udg h ILE 173 CO 0.12 0.47 0.31 -0.09 -0.69 0.00 0.00 178.15 178.27 1udg h ARG 174 N 0.63 0.68 -0.05 2.37 2.43 -1.15 -0.01 114.38 119.28 1udg h ARG 174 Ca 0.07 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 1udg h ARG 174 Cb 0.82 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1udg h ARG 174 CO 0.07 0.49 -0.48 0.00 -1.51 0.00 0.00 179.97 178.54 1udg h ARG 175 N 0.68 0.13 -0.01 0.20 3.08 -1.39 -2.60 114.38 114.47 1udg h ARG 175 Ca 0.18 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1udg h ARG 175 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1udg h ARG 175 CO -0.04 0.59 -0.02 1.25 -1.07 0.00 0.00 179.97 180.69 1udg h LEU 176 N 0.11 0.02 -1.50 3.04 5.85 -0.92 -2.78 115.31 119.13 1udg h LEU 176 Ca 0.00 -0.60 0.03 0.00 0.84 0.00 0.00 57.88 58.16 1udg h LEU 176 Cb 0.90 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1udg h LEU 176 CO 0.07 0.62 0.38 0.00 -0.34 0.00 0.00 178.44 179.16 1udg h ALA 177 N 0.41 1.72 -0.11 1.25 0.00 -1.01 -1.93 119.26 119.58 1udg h ALA 177 Ca -0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1udg h ALA 177 Cb 0.61 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1udg h ALA 177 CO 0.00 0.22 -0.62 0.00 0.00 0.00 0.00 179.25 178.86 1udg h ALA 178 N 1.67 0.73 -0.07 0.00 0.00 -1.53 -3.06 119.26 117.01 1udg h ALA 178 Ca 0.23 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1udg h ALA 178 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1udg h ALA 178 CO -0.06 0.72 -0.33 -0.09 0.00 0.00 0.00 179.25 179.50 1udg h ARG 179 N 0.28 0.14 -2.08 0.00 2.43 -1.07 -3.42 114.38 110.66 1udg h ARG 179 Ca -0.01 -0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 58.89 1udg h ARG 179 Cb 1.15 -0.01 -0.32 0.00 -0.42 0.00 0.00 29.97 30.38 1udg h ARG 179 CO 0.11 0.45 -0.55 -0.98 -1.51 0.00 0.00 179.97 177.49 1udg s ARG 180 N -4.31 0.31 0.78 0.20 1.70 -0.95 -5.11 118.95 111.57 1udg s ARG 180 Ca -0.04 0.32 -0.11 0.00 -0.47 0.00 0.00 55.73 55.43 1udg s ARG 180 Cb 0.14 -0.69 0.06 0.00 -0.57 0.00 0.00 34.95 33.89 1udg s ARG 180 CO 0.74 -0.73 1.08 -1.25 -1.08 0.00 0.00 175.30 174.07 1udg s PRO 181 N 2.46 2.26 0.00 3.89 0.04 -1.25 -4.13 135.00 138.27 1udg s PRO 181 Ca 0.10 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1udg s PRO 181 Cb -0.15 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1udg s PRO 181 CO -0.18 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 175.72 1udg n GLY 182 N -1.81 0.46 3.85 0.56 0.00 -0.46 -5.03 105.19 102.76 1udg n GLY 182 Ca 0.07 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 1udg n GLY 182 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1udg s LEU 183 N 0.00 3.52 -0.14 0.99 1.43 -1.26 -4.77 118.68 118.45 1udg s LEU 183 Ca 0.00 1.51 -0.04 0.00 -1.03 0.00 0.00 54.13 54.57 1udg s LEU 183 Cb 0.00 -4.48 -0.03 0.00 0.03 0.00 0.00 46.19 41.71 1udg s LEU 183 CO 0.00 -0.66 0.01 -0.69 0.23 0.00 0.00 176.35 175.24 1udg s VAL 184 N -2.77 4.30 -0.08 -1.59 1.01 -1.07 -0.61 120.40 119.58 1udg s VAL 184 Ca 0.58 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.36 1udg s VAL 184 Cb -0.10 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1udg s VAL 184 CO 0.38 0.52 -0.16 -0.36 0.00 0.00 0.00 175.10 175.47 1udg s PHE 185 N 0.01 2.68 -0.37 5.22 0.40 0.93 -1.09 117.98 125.77 1udg s PHE 185 Ca 0.03 -0.46 0.04 0.00 -0.60 0.00 0.00 56.93 55.93 1udg s PHE 185 Cb -0.13 -1.70 0.10 0.00 0.51 0.00 0.00 43.02 41.81 1udg s PHE 185 CO 0.02 -0.05 0.09 -1.64 0.70 0.00 0.00 175.22 174.33 1udg s MET 186 N -0.21 1.50 -0.48 0.44 -1.94 -0.29 -0.62 119.30 117.70 1udg s MET 186 Ca -0.00 -1.94 -0.14 0.00 -1.71 0.00 0.00 55.69 51.91 1udg s MET 186 Cb -0.13 -3.13 0.10 0.00 2.01 0.00 0.00 34.83 33.67 1udg s MET 186 CO 0.03 -0.97 0.40 -0.51 -0.01 0.00 0.00 175.02 173.96 1udg s LEU 187 N 0.77 5.72 -0.38 -0.03 1.43 0.20 -3.44 118.68 122.96 1udg s LEU 187 Ca 0.12 -1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 51.53 1udg s LEU 187 Cb -0.20 -2.13 0.04 0.00 0.03 0.00 0.00 46.19 43.92 1udg s LEU 187 CO -0.08 -0.70 0.21 0.26 0.23 0.00 0.00 176.35 176.27 1udg s TRP 188 N 1.55 3.26 0.00 0.29 0.51 -1.26 -1.32 118.94 121.96 1udg s TRP 188 Ca 0.04 -1.07 0.00 0.00 -2.12 0.00 0.00 56.10 52.95 1udg s TRP 188 Cb -0.26 -2.49 0.00 0.00 -0.81 0.00 0.00 33.47 29.91 1udg s TRP 188 CO 0.04 -0.68 0.00 0.41 -0.51 0.00 0.00 176.95 176.20 1udg n GLY 189 N 4.98 1.40 0.17 0.98 0.00 0.87 -4.36 105.19 109.23 1udg n GLY 189 Ca -0.12 -1.84 -0.05 0.00 0.00 0.00 0.00 46.02 44.02 1udg n GLY 189 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1udg h THR 190 N 0.00 0.75 0.12 2.61 2.02 -1.94 -2.34 112.91 114.13 1udg h THR 190 Ca 0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1udg h THR 190 Cb 0.00 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1udg h THR 190 CO 0.00 0.03 -0.06 -0.74 0.37 0.00 0.00 175.52 175.12 1udg h HIS 191 N 0.16 -0.15 -0.77 3.16 -0.00 -1.99 -0.79 115.15 114.77 1udg h HIS 191 Ca 0.19 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.61 1udg h HIS 191 Cb 0.25 0.05 -0.06 0.00 -0.00 0.00 0.00 27.41 27.65 1udg h HIS 191 CO -0.23 -0.05 0.47 0.00 -0.00 0.00 0.00 177.93 178.12 1udg h ALA 192 N 0.67 1.05 0.00 5.26 0.00 -1.78 0.21 119.26 124.67 1udg h ALA 192 Ca -0.02 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1udg h ALA 192 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1udg h ALA 192 CO 0.03 0.19 -0.32 1.96 0.00 0.00 0.00 179.25 181.11 1udg h GLN 193 N 0.86 0.00 0.00 0.00 4.20 -1.27 -2.65 115.11 116.25 1udg h GLN 193 Ca 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.04 1udg h GLN 193 Cb 0.16 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 1udg h GLN 193 CO -0.17 0.32 -1.05 0.09 -0.67 0.00 0.00 178.83 177.35 1udg n ASN 194 N -3.75 0.82 0.11 1.46 3.02 -0.31 -4.35 115.26 112.26 1udg n ASN 194 Ca -0.01 0.32 -0.21 0.00 -0.03 0.00 0.00 54.58 54.65 1udg n ASN 194 Cb 0.42 0.49 -0.15 0.00 -0.61 0.00 0.00 39.78 39.93 1udg n ASN 194 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1udg h ALA 195 N 1.98 0.02 -3.21 5.41 0.00 -0.78 -3.45 119.26 119.24 1udg h ALA 195 Ca -0.01 -0.95 -0.58 0.00 0.00 0.00 0.00 54.91 53.37 1udg h ALA 195 Cb 1.02 0.20 -0.35 0.00 0.00 0.00 0.00 17.79 18.66 1udg h ALA 195 CO 0.00 0.89 -0.83 0.42 0.00 0.00 0.00 179.25 179.73 1udg s ILE 196 N -2.61 1.45 -0.57 0.00 -1.09 -1.02 -5.04 121.20 112.33 1udg s ILE 196 Ca -0.09 -0.59 0.04 0.00 -2.23 0.00 0.00 60.65 57.79 1udg s ILE 196 Cb 0.05 -1.36 0.16 0.00 -1.58 0.00 0.00 42.46 39.74 1udg s ILE 196 CO 0.90 0.44 0.40 -0.13 -1.23 0.00 0.00 174.94 175.32 1udg s ARG 197 N 1.25 1.78 0.59 2.79 0.52 -1.26 -4.70 118.95 119.92 1udg s ARG 197 Ca -0.01 -2.73 -0.16 0.00 -0.52 0.00 0.00 55.73 52.31 1udg s ARG 197 Cb -0.14 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 1udg s ARG 197 CO -0.06 -1.29 1.06 -2.14 0.02 0.00 0.00 175.30 172.89 1udg s PRO 198 N -0.67 3.32 -0.18 3.54 0.02 -1.26 -4.98 135.00 134.80 1udg s PRO 198 Ca 0.26 1.22 -0.29 0.00 0.02 0.00 0.00 61.00 62.21 1udg s PRO 198 Cb -0.06 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1udg s PRO 198 CO -0.14 -0.81 1.84 0.34 -0.33 0.00 0.00 177.00 177.90 1udg s ASP 199 N -2.75 6.12 0.11 2.53 -1.08 -1.26 -4.86 116.67 115.49 1udg s ASP 199 Ca 0.64 1.84 0.21 0.00 -0.52 0.00 0.00 52.55 54.72 1udg s ASP 199 Cb -0.16 -2.53 0.84 0.00 -1.46 0.00 0.00 42.92 39.62 1udg s ASP 199 CO 0.36 -1.43 1.64 -0.81 0.52 0.00 0.00 175.17 175.45 1udg n PRO 200 N 7.98 0.10 0.13 4.34 -0.04 -1.26 -0.94 135.00 145.30 1udg n PRO 200 Ca 0.22 0.28 0.10 0.00 -0.04 0.00 0.00 63.50 64.06 1udg n PRO 200 Cb 0.45 -1.66 0.03 0.00 -0.04 0.00 0.00 33.50 32.28 1udg n PRO 200 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1udg h ARG 201 N 0.00 0.00 0.00 0.54 3.08 -2.03 -3.38 114.38 112.60 1udg h ARG 201 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1udg h ARG 201 Cb 0.37 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 1udg h ARG 201 CO 0.00 0.04 -1.92 0.28 -1.07 0.00 0.00 179.97 177.31 1udg n VAL 202 N -2.82 0.77 -4.43 2.04 0.31 -1.04 -5.03 118.33 108.13 1udg n VAL 202 Ca 0.00 -0.55 -0.21 0.00 -0.01 0.00 0.00 64.34 63.57 1udg n VAL 202 Cb 0.58 -0.46 -0.10 0.00 -0.91 0.00 0.00 33.84 32.95 1udg n VAL 202 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1udg s HIS 203 N -2.50 1.96 -0.50 3.52 3.76 -0.12 -1.35 115.29 120.07 1udg s HIS 203 Ca -0.07 -0.72 -0.21 0.00 -0.15 0.00 0.00 55.06 53.92 1udg s HIS 203 Cb 0.05 -1.13 0.04 0.00 1.11 0.00 0.00 32.58 32.66 1udg s HIS 203 CO 0.59 0.26 0.71 0.00 -0.85 0.00 0.00 174.74 175.46 1udg s VAL 205 N 3.03 4.80 -0.23 0.00 1.01 -1.26 -0.05 120.40 127.71 1udg s VAL 205 Ca 0.21 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 1udg s VAL 205 Cb -0.16 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1udg s VAL 205 CO 0.16 -0.06 0.02 -0.76 0.00 0.00 0.00 175.10 174.45 1udg s LEU 206 N 1.63 3.22 -0.05 3.92 1.43 0.21 -4.98 118.68 124.06 1udg s LEU 206 Ca 0.04 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 1udg s LEU 206 Cb -0.18 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1udg s LEU 206 CO 0.08 -0.00 -0.14 -0.54 0.23 0.00 0.00 176.35 175.97 1udg s LYS 207 N 1.40 2.49 0.23 1.70 1.02 -1.26 -0.62 119.74 124.70 1udg s LYS 207 Ca 0.05 -0.70 -0.15 0.00 0.02 0.00 0.00 55.97 55.19 1udg s LYS 207 Cb -0.15 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.79 1udg s LYS 207 CO 0.01 0.62 0.51 0.12 -0.92 0.00 0.00 175.35 175.69 1udg s PHE 208 N -0.74 0.17 0.76 3.18 5.36 -0.44 -4.98 117.98 121.29 1udg s PHE 208 Ca 0.12 -0.54 -0.11 0.00 -0.96 0.00 0.00 56.93 55.43 1udg s PHE 208 Cb -0.11 0.30 0.05 0.00 -0.34 0.00 0.00 43.02 42.92 1udg s PHE 208 CO 0.01 -0.99 1.08 -1.54 -1.46 0.00 0.00 175.22 172.32 1udg s SER 209 N -2.97 4.74 0.31 6.13 1.04 -1.26 -0.09 113.70 121.61 1udg s SER 209 Ca 0.17 1.54 -0.29 0.00 0.48 0.00 0.00 55.95 57.86 1udg s SER 209 Cb -0.01 -2.32 -0.13 0.00 0.10 0.00 0.00 66.02 63.66 1udg s SER 209 CO 0.05 -1.84 1.25 1.57 0.98 0.00 0.00 173.24 175.25 1udg n HIS 210 N -3.38 2.04 0.29 5.02 -0.00 -1.26 -3.79 115.22 114.15 1udg n HIS 210 Ca 0.08 0.57 0.17 0.00 0.46 0.00 0.00 57.72 59.00 1udg n HIS 210 Cb 0.54 -2.39 0.85 0.00 -0.12 0.00 0.00 29.99 28.88 1udg n HIS 210 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1udg h PRO 211 N 2.70 0.00 -6.87 1.57 0.13 -1.89 -3.43 132.00 124.21 1udg h PRO 211 Ca -0.44 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 1udg h PRO 211 Cb 1.29 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.56 1udg h PRO 211 CO 0.64 0.00 0.40 0.45 -0.23 0.00 0.00 178.00 179.26 1udg n SER 212 N -2.79 2.03 0.03 1.44 2.88 -1.26 -4.61 113.62 111.34 1udg n SER 212 Ca -0.01 0.99 0.05 0.00 -1.33 0.00 0.00 58.87 58.58 1udg n SER 212 Cb 0.15 -1.48 0.24 0.00 -0.75 0.00 0.00 64.21 62.37 1udg n SER 212 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1udg n PRO 213 N -0.50 0.03 0.00 -1.46 -0.02 -1.26 -2.38 135.00 129.42 1udg n PRO 213 Ca 0.10 0.39 0.14 0.00 -2.02 0.00 0.00 63.50 62.11 1udg n PRO 213 Cb 0.43 -1.58 0.67 0.00 -0.02 0.00 0.00 33.50 32.99 1udg n PRO 213 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1udg n LEU 214 N -1.65 0.00 -4.79 2.45 4.77 -1.26 -4.84 117.00 111.68 1udg n LEU 214 Ca 0.02 0.41 -0.33 0.00 -0.03 0.00 0.00 56.01 56.08 1udg n LEU 214 Cb 0.10 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1udg n LEU 214 CO 0.09 -0.01 0.73 -0.44 -1.33 0.00 0.00 177.39 176.43 1udg s SER 215 N -2.83 5.44 0.10 -1.43 0.01 -1.00 -4.97 113.70 109.01 1udg s SER 215 Ca 0.20 1.91 -0.17 0.00 1.31 0.00 0.00 55.95 59.20 1udg s SER 215 Cb 0.19 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.82 1udg s SER 215 CO 0.49 -1.40 1.51 0.11 0.41 0.00 0.00 173.24 174.36 1udg h LYS 216 N 0.22 0.57 -5.93 12.44 1.57 -1.91 -3.42 116.57 120.12 1udg h LYS 216 Ca -0.47 -0.20 -0.58 0.00 -1.87 0.00 0.00 60.65 57.52 1udg h LYS 216 Cb 1.23 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.44 1udg h LYS 216 CO 0.56 0.74 -0.13 0.08 -0.57 0.00 0.00 179.45 180.13 1udg s VAL 217 N -4.86 5.04 0.02 0.50 1.01 -1.26 -5.03 120.40 115.82 1udg s VAL 217 Ca -0.13 0.99 -0.30 0.00 0.00 0.00 0.00 61.98 62.53 1udg s VAL 217 Cb 0.08 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1udg s VAL 217 CO 0.78 0.44 1.32 -2.84 0.00 0.00 0.00 175.10 174.80 1udg s PRO 218 N -0.22 4.33 0.49 2.72 0.02 -1.26 -4.92 135.00 136.15 1udg s PRO 218 Ca 0.26 1.89 0.18 0.00 0.02 0.00 0.00 61.00 63.35 1udg s PRO 218 Cb -0.17 -3.47 1.20 0.00 0.02 0.00 0.00 34.50 32.08 1udg s PRO 218 CO 0.13 -0.47 2.06 0.35 -0.33 0.00 0.00 177.00 178.75 1udg h PHE 219 N 7.39 0.00 0.00 6.54 3.57 -1.86 -2.15 116.94 130.43 1udg h PHE 219 Ca -0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1udg h PHE 219 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1udg h PHE 219 CO 0.72 0.12 0.21 0.78 -2.23 0.00 0.00 178.31 177.91 1udg h GLY 220 N 0.42 0.00 1.90 2.40 0.00 -1.92 0.13 103.07 106.00 1udg h GLY 220 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1udg h GLY 220 CO 0.02 0.00 -0.10 -0.91 0.00 0.00 0.00 176.54 175.55 1udg h THR 221 N 0.00 0.00 -2.16 4.70 1.35 -1.76 -3.41 112.91 111.63 1udg h THR 221 Ca 0.00 -0.89 -0.61 0.00 -0.55 0.00 0.00 66.41 64.36 1udg h THR 221 Cb 0.43 1.84 0.06 0.00 -1.73 0.00 0.00 68.15 68.75 1udg h THR 221 CO 0.00 0.00 0.69 0.00 -0.25 0.00 0.00 175.52 175.96 1udg n GLN 223 N 3.04 1.62 0.07 0.00 6.02 -1.26 -4.74 117.38 122.12 1udg n GLN 223 Ca 0.17 -3.26 0.04 0.00 -0.01 0.00 0.00 57.00 53.94 1udg n GLN 223 Cb 0.27 -1.65 0.44 0.00 1.02 0.00 0.00 30.24 30.32 1udg n GLN 223 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1udg h HIS 224 N 0.96 0.38 -0.48 1.08 3.86 -1.96 -2.43 115.15 116.56 1udg h HIS 224 Ca 0.03 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1udg h HIS 224 Cb 1.10 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.43 1udg h HIS 224 CO 0.77 0.30 0.01 0.74 0.86 0.00 0.00 177.93 180.61 1udg h PHE 225 N 0.39 0.84 0.01 2.45 0.04 -1.95 -0.24 116.94 118.47 1udg h PHE 225 Ca 0.10 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1udg h PHE 225 Cb 0.08 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 37.99 1udg h PHE 225 CO 0.00 0.77 -0.00 -0.07 -0.60 0.00 0.00 178.31 178.41 1udg h LEU 226 N 0.74 -0.01 -1.19 1.54 3.38 -1.82 -3.11 115.31 114.84 1udg h LEU 226 Ca 0.15 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 1udg h LEU 226 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1udg h LEU 226 CO 0.02 0.55 -0.00 0.58 0.09 0.00 0.00 178.44 179.67 1udg h VAL 227 N -0.58 1.20 0.07 1.22 2.07 -1.37 -1.98 116.25 116.89 1udg h VAL 227 Ca -0.00 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1udg h VAL 227 Cb 0.56 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1udg h VAL 227 CO 0.00 0.28 -0.03 0.00 0.02 0.00 0.00 177.57 177.84 1udg h ALA 228 N 1.48 -0.09 0.00 1.67 0.00 -1.12 -1.47 119.26 119.72 1udg h ALA 228 Ca 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1udg h ALA 228 Cb 0.34 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1udg h ALA 228 CO 0.01 -0.49 -0.16 -0.91 0.00 0.00 0.00 179.25 177.70 1udg h ASN 229 N -0.21 0.00 0.18 0.00 2.35 -1.44 -1.16 115.58 115.30 1udg h ASN 229 Ca -0.01 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.57 1udg h ASN 229 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1udg h ASN 229 CO 0.02 0.16 -0.65 0.03 -1.65 0.00 0.00 177.43 175.33 1udg h ARG 230 N 0.00 0.44 0.01 0.81 3.08 -1.02 -2.29 114.38 115.41 1udg h ARG 230 Ca -0.00 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 1udg h ARG 230 Cb 0.30 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1udg h ARG 230 CO 0.02 0.94 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.93 1udg h TYR 231 N 0.32 -0.02 -0.38 3.04 3.20 -0.45 -3.07 116.97 119.60 1udg h TYR 231 Ca -0.01 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.93 1udg h TYR 231 Cb 1.20 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.41 1udg h TYR 231 CO 0.04 0.48 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.90 1udg h LEU 232 N -0.52 -0.31 -1.19 2.82 3.38 -1.26 -2.25 115.31 115.98 1udg h LEU 232 Ca -0.00 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.17 1udg h LEU 232 Cb 0.50 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1udg h LEU 232 CO 0.00 -0.11 0.58 -0.33 0.09 0.00 0.00 178.44 178.67 1udg h GLU 233 N 0.02 0.87 0.00 1.13 5.08 -1.42 0.58 114.58 120.84 1udg h GLU 233 Ca 0.19 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1udg h GLU 233 Cb 0.28 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1udg h GLU 233 CO -0.37 0.57 0.00 0.25 -1.00 0.00 0.00 179.01 178.46 1udg n THR 234 N -4.53 0.00 0.05 1.13 -2.24 -0.86 -1.90 114.28 105.93 1udg n THR 234 Ca 0.15 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.95 1udg n THR 234 Cb 0.31 -0.58 0.03 0.00 -2.10 0.00 0.00 70.33 67.98 1udg n THR 234 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1udg n ARG 235 N -0.94 1.05 -1.66 -0.78 5.12 0.08 -4.96 116.66 114.57 1udg n ARG 235 Ca 0.16 -1.13 -0.12 0.00 -1.93 0.00 0.00 57.85 54.83 1udg n ARG 235 Cb 0.07 -1.07 -0.03 0.00 -1.16 0.00 0.00 32.46 30.27 1udg n ARG 235 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1udg n SER 236 N -0.00 -4.18 -4.83 0.55 7.64 -0.80 -5.01 113.62 106.98 1udg n SER 236 Ca 0.02 0.18 -0.36 0.00 1.01 0.00 0.00 58.87 59.72 1udg n SER 236 Cb 0.18 -2.96 -0.07 0.00 -1.01 0.00 0.00 64.21 60.36 1udg n SER 236 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1udg s ILE 237 N -2.49 5.37 0.37 0.44 1.01 -0.49 -5.01 121.20 120.40 1udg s ILE 237 Ca 0.00 0.16 -0.27 0.00 0.00 0.00 0.00 60.65 60.54 1udg s ILE 237 Cb 0.00 -3.35 -0.10 0.00 0.01 0.00 0.00 42.46 39.02 1udg s ILE 237 CO 0.00 0.59 1.31 -0.94 0.00 0.00 0.00 174.94 175.89 1udg s SER 238 N -0.75 6.54 0.61 3.58 1.04 -1.26 -3.38 113.70 120.07 1udg s SER 238 Ca 0.13 2.68 -0.14 0.00 0.48 0.00 0.00 55.95 59.11 1udg s SER 238 Cb -0.12 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.33 1udg s SER 238 CO 0.03 -0.69 1.04 -2.16 0.98 0.00 0.00 173.24 172.43 1udg s PRO 239 N -2.02 3.38 0.13 4.02 0.04 -1.26 -4.87 135.00 134.42 1udg s PRO 239 Ca 0.53 0.99 -0.21 0.00 0.04 0.00 0.00 61.00 62.35 1udg s PRO 239 Cb -0.39 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.03 1udg s PRO 239 CO 0.51 -0.74 0.67 0.42 0.04 0.00 0.00 177.00 177.89 1udg s ILE 240 N -2.80 4.58 -0.56 0.56 -1.09 -1.26 -5.03 121.20 115.60 1udg s ILE 240 Ca 0.59 1.39 -0.19 0.00 -2.23 0.00 0.00 60.65 60.22 1udg s ILE 240 Cb -0.13 -3.98 0.09 0.00 -1.58 0.00 0.00 42.46 36.86 1udg s ILE 240 CO 0.44 0.49 0.66 -0.62 -1.23 0.00 0.00 174.94 174.68 1udg s ASP 241 N -1.22 6.19 0.00 3.58 2.15 -1.26 -4.93 116.67 121.19 1udg s ASP 241 Ca 0.34 -1.30 0.12 0.00 0.43 0.00 0.00 52.55 52.14 1udg s ASP 241 Cb -0.20 -2.29 0.71 0.00 -0.30 0.00 0.00 42.92 40.84 1udg s ASP 241 CO 0.22 -1.02 1.36 0.79 -0.17 0.00 0.00 175.17 176.35 1udg n TRP 242 N 6.18 0.00 -2.06 -5.34 7.02 -1.26 -4.87 117.44 117.12 1udg n TRP 242 Ca -0.09 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.98 1udg n TRP 242 Cb 0.43 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.30 1udg n TRP 242 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1udg s SER 243 N -1.50 6.70 0.00 -0.99 0.01 -1.26 -5.00 113.70 111.66 1udg s SER 243 Ca 0.18 2.74 0.00 0.00 1.31 0.00 0.00 55.95 60.18 1udg s SER 243 Cb 0.08 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1udg s SER 243 CO 0.14 -0.61 0.00 0.55 0.41 0.00 0.00 173.24 173.73