#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3exf s PHE 1 N 0.00 2.29 0.62 3.17 0.08 -1.26 -5.10 117.98 117.77 3exf s PHE 1 Ca 0.00 -0.63 -0.11 0.00 0.12 0.00 0.00 56.93 56.30 3exf s PHE 1 Cb 0.00 -2.05 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 3exf s PHE 1 CO 0.00 -0.21 1.03 0.00 -0.10 0.00 0.00 175.22 175.94 3exf s ALA 2 N -2.60 3.09 -1.49 5.36 0.00 -0.48 -4.95 121.76 120.68 3exf s ALA 2 Ca 0.42 -0.07 0.25 0.00 0.00 0.00 0.00 51.96 52.56 3exf s ALA 2 Cb -0.02 -3.08 0.46 0.00 0.00 0.00 0.00 23.12 20.48 3exf s ALA 2 CO 0.25 -0.67 1.38 0.09 0.00 0.00 0.00 175.76 176.80 3exf n ASN 3 N -2.69 1.02 -3.75 0.00 5.03 -1.26 -4.70 115.26 108.92 3exf n ASN 3 Ca 0.06 -0.81 0.03 0.00 0.87 0.00 0.00 54.58 54.73 3exf n ASN 3 Cb 0.54 0.32 0.00 0.00 -1.02 0.00 0.00 39.78 39.62 3exf n ASN 3 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 3exf s ASP 4 N -2.70 -0.01 0.06 6.41 1.47 -1.26 -2.14 116.67 118.49 3exf s ASP 4 Ca 0.18 -0.07 -0.13 0.00 1.18 0.00 0.00 52.55 53.71 3exf s ASP 4 Cb 0.18 0.07 0.02 0.00 -0.34 0.00 0.00 42.92 42.84 3exf s ASP 4 CO 0.62 -0.13 0.28 0.00 0.68 0.00 0.00 175.17 176.63 3exf s ALA 5 N -2.09 -0.61 0.25 2.11 0.00 -0.97 -4.99 121.76 115.46 3exf s ALA 5 Ca 0.22 -0.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.95 3exf s ALA 5 Cb 0.04 0.37 -0.08 0.00 0.00 0.00 0.00 23.12 23.44 3exf s ALA 5 CO -0.04 -0.44 0.63 0.99 0.00 0.00 0.00 175.76 176.91 3exf s THR 6 N -2.82 4.80 0.01 0.00 2.01 -1.26 -1.16 115.64 117.22 3exf s THR 6 Ca -0.03 0.76 0.01 0.00 0.31 0.00 0.00 61.69 62.74 3exf s THR 6 Cb 0.00 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 3exf s THR 6 CO -0.05 -0.05 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.41 3exf s PHE 7 N -1.81 0.45 -0.28 4.92 0.40 0.61 -4.93 117.98 117.35 3exf s PHE 7 Ca 0.48 -0.22 -0.29 0.00 -0.60 0.00 0.00 56.93 56.31 3exf s PHE 7 Cb -0.12 -0.28 0.01 0.00 0.51 0.00 0.00 43.02 43.14 3exf s PHE 7 CO 0.19 -0.04 1.09 -1.21 0.70 0.00 0.00 175.22 175.95 3exf s GLU 8 N -0.59 4.14 0.13 0.44 8.01 -1.26 -1.24 118.70 128.32 3exf s GLU 8 Ca -0.03 1.23 0.04 0.00 0.01 0.00 0.00 54.97 56.22 3exf s GLU 8 Cb -0.04 -3.71 -0.04 0.00 -4.31 0.00 0.00 34.13 26.02 3exf s GLU 8 CO -0.00 -0.80 0.13 0.96 0.01 0.00 0.00 175.26 175.56 3exf s ILE 9 N 3.52 4.61 0.75 -1.63 -4.36 -1.10 -4.97 121.20 118.02 3exf s ILE 9 Ca 0.46 -0.90 -0.15 0.00 -0.26 0.00 0.00 60.65 59.81 3exf s ILE 9 Cb -0.14 -3.30 0.05 0.00 1.25 0.00 0.00 42.46 40.32 3exf s ILE 9 CO 0.12 -0.01 1.20 -0.75 0.24 0.00 0.00 174.94 175.75 3exf s LYS 10 N -2.81 2.04 0.28 0.37 2.20 -1.26 -4.53 119.74 116.02 3exf s LYS 10 Ca 0.31 1.74 -0.07 0.00 -0.36 0.00 0.00 55.97 57.59 3exf s LYS 10 Cb -0.11 -1.82 -0.06 0.00 -1.51 0.00 0.00 37.83 34.33 3exf s LYS 10 CO 0.23 -1.91 0.57 -1.59 -0.36 0.00 0.00 175.35 172.30 3exf s LYS 11 N -3.98 3.70 0.20 4.03 0.00 -1.26 -4.85 119.74 117.58 3exf s LYS 11 Ca 0.74 0.13 -0.07 0.00 0.00 0.00 0.00 55.97 56.77 3exf s LYS 11 Cb -0.29 -2.63 -0.06 0.00 0.00 0.00 0.00 37.83 34.86 3exf s LYS 11 CO 0.47 0.23 0.47 0.00 0.00 0.00 0.00 175.35 176.51 3exf s ASP 13 N -2.52 6.73 0.13 0.00 -0.00 -1.24 -4.88 116.67 114.90 3exf s ASP 13 Ca 0.44 2.34 0.04 0.00 -0.00 0.00 0.00 52.55 55.36 3exf s ASP 13 Cb -0.12 -2.57 -0.04 0.00 -0.00 0.00 0.00 42.92 40.20 3exf s ASP 13 CO 0.24 -0.77 0.15 -0.76 -0.00 0.00 0.00 175.17 174.02 3exf s LEU 14 N 2.08 3.94 -0.08 1.23 1.43 -1.26 -1.42 118.68 124.60 3exf s LEU 14 Ca 0.68 -0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.76 3exf s LEU 14 Cb -0.37 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.31 3exf s LEU 14 CO 0.30 0.11 -0.02 -2.28 0.23 0.00 0.00 176.35 174.68 3exf s HIS 15 N -1.62 0.90 -1.48 0.29 5.65 -0.05 -4.84 115.29 114.14 3exf s HIS 15 Ca 0.31 -0.33 -0.07 0.00 0.25 0.00 0.00 55.06 55.22 3exf s HIS 15 Cb -0.11 -0.92 0.05 0.00 -1.18 0.00 0.00 32.58 30.42 3exf s HIS 15 CO 0.24 -0.38 0.70 0.54 -0.65 0.00 0.00 174.74 175.20 3exf n ARG 16 N 5.07 -4.21 -3.86 2.88 1.74 -1.26 -1.42 116.66 115.60 3exf n ARG 16 Ca -0.09 0.49 -0.16 0.00 -0.77 0.00 0.00 57.85 57.33 3exf n ARG 16 Cb 0.50 -5.04 -0.16 0.00 -1.02 0.00 0.00 32.46 26.74 3exf n ARG 16 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3exf s LEU 17 N -7.05 1.15 0.12 0.55 1.43 -1.26 -4.77 118.68 108.85 3exf s LEU 17 Ca 0.33 0.00 -0.33 0.00 -1.03 0.00 0.00 54.13 53.10 3exf s LEU 17 Cb -0.17 -0.15 -0.11 0.00 0.03 0.00 0.00 46.19 45.78 3exf s LEU 17 CO 0.86 -0.11 1.56 -0.33 0.23 0.00 0.00 176.35 178.57 3exf h GLU 18 N 7.24 -0.61 -4.75 1.70 4.39 -2.01 -3.46 114.58 117.09 3exf h GLU 18 Ca -0.44 0.04 -0.26 0.00 0.34 0.00 0.00 59.36 59.04 3exf h GLU 18 Cb 1.13 0.14 -0.17 0.00 -0.10 0.00 0.00 28.75 29.75 3exf h GLU 18 CO 0.48 -0.40 -0.71 -1.83 -1.16 0.00 0.00 179.01 175.38 3exf s GLU 19 N -5.79 0.80 0.00 2.33 -1.05 -1.26 -5.14 118.70 108.59 3exf s GLU 19 Ca -0.16 -1.20 0.00 0.00 -0.15 0.00 0.00 54.97 53.46 3exf s GLU 19 Cb 0.07 -0.34 0.00 0.00 -0.44 0.00 0.00 34.13 33.43 3exf s GLU 19 CO 0.62 0.03 0.00 0.41 0.95 0.00 0.00 175.26 177.27 3exf n GLY 20 N 0.36 2.45 3.69 -3.83 0.00 -1.26 -5.10 105.19 101.50 3exf n GLY 20 Ca -0.15 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 3exf n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3exf s PRO 21 N -1.68 1.18 0.37 1.61 0.04 -1.26 -4.99 135.00 130.27 3exf s PRO 21 Ca 0.00 1.19 -0.25 0.00 0.04 0.00 0.00 61.00 61.98 3exf s PRO 21 Cb 0.00 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.64 3exf s PRO 21 CO 0.00 -2.40 0.84 -0.35 0.04 0.00 0.00 177.00 175.13 3exf n PRO 22 N -4.04 1.03 -0.52 0.56 -0.04 -1.26 -4.86 135.00 125.86 3exf n PRO 22 Ca 0.09 0.37 0.05 0.00 -0.04 0.00 0.00 63.50 63.96 3exf n PRO 22 Cb 0.53 -1.75 0.25 0.00 -0.04 0.00 0.00 33.50 32.48 3exf n PRO 22 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3exf n VAL 23 N -0.36 1.59 -3.64 0.52 0.24 -1.26 -4.84 118.33 110.57 3exf n VAL 23 Ca 0.11 -0.84 -0.14 0.00 -2.04 0.00 0.00 64.34 61.43 3exf n VAL 23 Cb 0.36 -0.29 -0.07 0.00 -1.47 0.00 0.00 33.84 32.37 3exf n VAL 23 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3exf s THR 24 N -2.02 0.04 -0.10 3.34 -1.32 -1.26 -2.70 115.64 111.62 3exf s THR 24 Ca 0.33 -0.32 -0.14 0.00 -1.21 0.00 0.00 61.69 60.35 3exf s THR 24 Cb 0.25 -0.88 0.03 0.00 -1.51 0.00 0.00 72.50 70.39 3exf s THR 24 CO 0.11 -0.18 0.37 0.28 -2.21 0.00 0.00 174.62 172.99 3exf s THR 25 N -1.90 0.02 0.07 5.08 -1.32 -0.37 -4.88 115.64 112.34 3exf s THR 25 Ca -0.09 -0.13 -0.12 0.00 -1.21 0.00 0.00 61.69 60.14 3exf s THR 25 Cb -0.02 -0.57 -0.06 0.00 -1.51 0.00 0.00 72.50 70.34 3exf s THR 25 CO 0.02 -0.07 0.44 -0.69 -2.21 0.00 0.00 174.62 172.11 3exf s VAL 26 N -0.26 5.02 -0.06 5.08 1.01 -1.26 -0.28 120.40 129.64 3exf s VAL 26 Ca -0.04 0.66 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 3exf s VAL 26 Cb -0.03 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.70 3exf s VAL 26 CO 0.02 0.36 0.12 -0.22 0.00 0.00 0.00 175.10 175.38 3exf s LEU 27 N -1.67 0.57 0.09 3.92 1.98 -0.31 -4.98 118.68 118.28 3exf s LEU 27 Ca 0.31 0.23 -0.05 0.00 -2.89 0.00 0.00 54.13 51.73 3exf s LEU 27 Cb -0.15 0.20 -0.05 0.00 0.66 0.00 0.00 46.19 46.85 3exf s LEU 27 CO 0.17 -0.18 0.33 0.42 -1.89 0.00 0.00 176.35 175.20 3exf s THR 28 N 1.49 5.22 0.26 3.68 -4.23 -1.26 -2.30 115.64 118.51 3exf s THR 28 Ca -0.05 0.05 -0.09 0.00 -1.18 0.00 0.00 61.69 60.42 3exf s THR 28 Cb -0.12 -3.61 0.39 0.00 1.34 0.00 0.00 72.50 70.49 3exf s THR 28 CO -0.05 0.16 1.58 -0.09 -0.54 0.00 0.00 174.62 175.68 3exf h ARG 29 N 3.25 0.01 -0.97 3.99 2.43 -1.71 0.56 114.38 121.93 3exf h ARG 29 Ca -0.47 -0.00 0.08 0.00 -0.81 0.00 0.00 59.98 58.78 3exf h ARG 29 Cb 1.18 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.65 3exf h ARG 29 CO 0.71 0.00 0.62 0.93 -1.51 0.00 0.00 179.97 180.72 3exf h GLU 30 N 0.01 1.04 0.11 0.20 3.07 -1.94 -1.99 114.58 115.08 3exf h GLU 30 Ca 0.44 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 3exf h GLU 30 Cb 0.69 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3exf h GLU 30 CO -0.90 0.69 -0.05 -0.44 -1.40 0.00 0.00 179.01 176.90 3exf h ASP 31 N 1.07 -0.13 -0.80 1.42 3.32 -0.41 -2.10 116.42 118.80 3exf h ASP 31 Ca 0.44 -0.43 0.18 0.00 0.02 0.00 0.00 57.03 57.24 3exf h ASP 31 Cb 0.27 0.03 -0.11 0.00 0.22 0.00 0.00 39.33 39.74 3exf h ASP 31 CO -0.20 0.42 0.26 1.23 -1.72 0.00 0.00 179.24 179.23 3exf h GLY 32 N -0.75 1.21 2.00 2.75 0.00 -0.81 0.62 103.07 108.09 3exf h GLY 32 Ca -0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 3exf h GLY 32 CO 0.03 -0.21 -0.24 1.41 0.00 0.00 0.00 176.54 177.53 3exf h LEU 33 N 0.34 0.00 0.19 3.11 4.07 -1.38 -1.38 115.31 120.26 3exf h LEU 33 Ca 0.46 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 58.10 3exf h LEU 33 Cb 0.81 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.57 3exf h LEU 33 CO -0.51 0.24 -1.48 0.50 -1.08 0.00 0.00 178.44 176.12 3exf h LYS 34 N 0.00 0.41 0.00 1.13 3.64 0.56 -2.92 116.57 119.38 3exf h LYS 34 Ca -0.00 -0.69 -0.10 0.00 -1.27 0.00 0.00 60.65 58.58 3exf h LYS 34 Cb 0.67 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 3exf h LYS 34 CO 0.03 1.32 -0.47 1.88 -2.27 0.00 0.00 179.45 179.93 3exf h TYR 35 N 0.11 0.00 0.22 1.91 0.05 0.11 -2.77 116.97 116.60 3exf h TYR 35 Ca -0.24 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.53 3exf h TYR 35 Cb 2.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.83 3exf h TYR 35 CO 0.10 0.47 -0.11 -0.92 -1.05 0.00 0.00 178.16 176.66 3exf h TYR 36 N 0.00 -0.28 -0.83 4.88 3.20 -1.33 -0.56 116.97 122.06 3exf h TYR 36 Ca -0.00 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.06 3exf h TYR 36 Cb 1.22 0.09 -0.15 0.00 1.54 0.00 0.00 36.73 39.44 3exf h TYR 36 CO 0.00 0.01 0.02 -0.09 -1.64 0.00 0.00 178.16 176.46 3exf h ARG 37 N -1.01 0.09 0.50 1.82 2.43 -1.57 -0.78 114.38 115.87 3exf h ARG 37 Ca -0.03 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3exf h ARG 37 Cb 0.41 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3exf h ARG 37 CO 0.05 0.06 -0.24 0.52 -1.51 0.00 0.00 179.97 178.85 3exf h MET 38 N 0.09 -0.65 -0.92 0.20 2.86 -1.52 0.28 114.93 115.27 3exf h MET 38 Ca 0.47 0.04 0.12 0.00 -2.06 0.00 0.00 59.70 58.27 3exf h MET 38 Cb 0.86 0.15 -0.07 0.00 0.06 0.00 0.00 31.60 32.60 3exf h MET 38 CO -0.73 -0.40 0.59 0.52 1.06 0.00 0.00 176.91 177.95 3exf h MET 39 N -0.75 0.82 0.13 1.72 2.86 -0.66 -1.76 114.93 117.28 3exf h MET 39 Ca -0.07 -0.05 -0.30 0.00 -2.06 0.00 0.00 59.70 57.22 3exf h MET 39 Cb 0.55 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3exf h MET 39 CO 0.11 0.54 -1.45 0.37 1.06 0.00 0.00 176.91 177.55 3exf h GLN 40 N 0.84 0.28 0.19 1.72 5.75 -1.00 -0.99 115.11 121.90 3exf h GLN 40 Ca 0.45 -0.48 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3exf h GLN 40 Cb 0.54 0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.23 3exf h GLN 40 CO -0.21 1.17 -0.44 1.15 -2.65 0.00 0.00 178.83 177.85 3exf h THR 41 N 0.08 0.00 -0.94 2.39 2.02 -0.19 -2.92 112.91 113.34 3exf h THR 41 Ca -0.21 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.16 3exf h THR 41 Cb 2.02 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 68.34 3exf h THR 41 CO 0.18 0.00 0.60 0.58 0.37 0.00 0.00 175.52 177.26 3exf h VAL 42 N -0.70 0.72 0.33 3.16 2.07 -1.00 -0.46 116.25 120.37 3exf h VAL 42 Ca -0.02 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3exf h VAL 42 Cb 0.67 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3exf h VAL 42 CO -0.19 0.11 -0.18 -0.09 0.02 0.00 0.00 177.57 177.24 3exf h ARG 43 N 0.59 -0.45 -0.28 1.57 9.65 -1.06 -2.22 114.38 122.18 3exf h ARG 43 Ca 0.51 0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 59.35 3exf h ARG 43 Cb 1.00 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.67 3exf h ARG 43 CO -0.25 -0.30 -0.10 0.00 2.80 0.00 0.00 179.97 182.11 3exf h ARG 44 N -0.47 0.46 -0.37 0.20 2.47 -0.94 -0.07 114.38 115.66 3exf h ARG 44 Ca -0.04 -0.12 -0.10 0.00 -1.26 0.00 0.00 59.98 58.46 3exf h ARG 44 Cb 0.37 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 3exf h ARG 44 CO 0.06 0.57 -0.17 1.98 0.56 0.00 0.00 179.97 182.97 3exf h MET 45 N 0.43 0.68 -0.11 0.04 4.05 -1.20 0.57 114.93 119.38 3exf h MET 45 Ca 0.08 -0.24 -0.07 0.00 -0.28 0.00 0.00 59.70 59.19 3exf h MET 45 Cb 0.44 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 3exf h MET 45 CO 0.02 0.81 -0.21 0.93 0.23 0.00 0.00 176.91 178.69 3exf h GLU 46 N 0.61 0.34 -0.71 0.39 4.39 -0.95 -1.58 114.58 117.08 3exf h GLU 46 Ca 0.10 -0.22 0.09 0.00 0.34 0.00 0.00 59.36 59.67 3exf h GLU 46 Cb 0.63 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.23 3exf h GLU 46 CO 0.04 0.81 0.36 -0.07 -1.16 0.00 0.00 179.01 178.99 3exf h LEU 47 N -0.08 0.46 -0.31 1.33 3.38 -0.75 -1.07 115.31 118.28 3exf h LEU 47 Ca 0.01 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3exf h LEU 47 Cb 0.79 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3exf h LEU 47 CO 0.05 0.27 0.15 0.50 0.09 0.00 0.00 178.44 179.49 3exf h LYS 48 N 0.60 0.31 -0.44 1.13 1.63 0.21 -2.52 116.57 117.49 3exf h LYS 48 Ca 0.35 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 60.14 3exf h LYS 48 Cb 0.37 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 3exf h LYS 48 CO -0.27 0.20 0.28 0.00 -3.45 0.00 0.00 179.45 176.21 3exf h ALA 49 N 1.16 0.55 -0.38 5.00 0.00 -0.81 0.26 119.26 125.04 3exf h ALA 49 Ca 0.13 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3exf h ALA 49 Cb 0.04 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 3exf h ALA 49 CO -0.09 -0.02 -0.11 0.22 0.00 0.00 0.00 179.25 179.25 3exf h ASP 50 N 0.56 -0.40 -0.17 0.00 1.82 -0.96 0.80 116.42 118.07 3exf h ASP 50 Ca 0.16 0.12 -0.15 0.00 -0.39 0.00 0.00 57.03 56.78 3exf h ASP 50 Cb -0.04 0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 3exf h ASP 50 CO -0.05 -0.14 -0.42 -0.61 -1.61 0.00 0.00 179.24 176.40 3exf h GLN 51 N -0.02 0.72 0.00 0.28 4.15 -1.06 -1.23 115.11 117.95 3exf h GLN 51 Ca 0.19 -0.39 -0.05 0.00 0.77 0.00 0.00 58.65 59.17 3exf h GLN 51 Cb 0.30 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 3exf h GLN 51 CO -0.41 1.00 -0.25 -0.07 -1.93 0.00 0.00 178.83 177.18 3exf h LEU 52 N 0.58 0.00 -0.50 -2.39 3.38 0.67 -1.59 115.31 115.45 3exf h LEU 52 Ca 0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3exf h LEU 52 Cb 0.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3exf h LEU 52 CO 0.09 0.25 -0.51 0.22 0.09 0.00 0.00 178.44 178.57 3exf h TYR 53 N 0.00 0.78 -0.34 1.13 5.03 0.98 -1.87 116.97 122.68 3exf h TYR 53 Ca -0.00 -0.26 -0.14 0.00 2.58 0.00 0.00 58.73 60.90 3exf h TYR 53 Cb 0.50 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 3exf h TYR 53 CO 0.00 1.01 -0.37 0.87 -1.32 0.00 0.00 178.16 178.35 3exf h LYS 54 N 0.49 0.78 -0.20 1.82 1.57 -0.58 -1.90 116.57 118.56 3exf h LYS 54 Ca 0.02 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3exf h LYS 54 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3exf h LYS 54 CO 0.10 1.02 0.00 1.04 -0.57 0.00 0.00 179.45 181.04 3exf n GLN 55 N -4.05 0.31 -0.79 3.15 6.02 -0.66 -4.80 117.38 116.56 3exf n GLN 55 Ca -0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.96 3exf n GLN 55 Cb 0.52 -1.10 -0.01 0.00 1.02 0.00 0.00 30.24 30.67 3exf n GLN 55 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3exf n LYS 56 N 0.04 -1.34 0.28 -1.09 4.01 -0.71 -4.68 118.16 114.66 3exf n LYS 56 Ca 0.00 0.12 0.16 0.00 -0.51 0.00 0.00 58.31 58.08 3exf n LYS 56 Cb 0.05 -3.78 0.82 0.00 -0.51 0.00 0.00 35.03 31.61 3exf n LYS 56 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 3exf h ILE 57 N 0.00 0.33 -3.77 -0.18 1.08 -1.58 -3.42 117.51 109.96 3exf h ILE 57 Ca -0.04 -0.43 -0.68 0.00 -0.39 0.00 0.00 64.86 63.33 3exf h ILE 57 Cb 0.15 1.32 -0.19 0.00 -3.07 0.00 0.00 36.82 35.03 3exf h ILE 57 CO 0.05 0.07 -0.78 -0.63 -0.69 0.00 0.00 178.15 176.17 3exf s ILE 58 N -4.06 3.01 0.33 -0.67 1.01 -0.90 -4.54 121.20 115.39 3exf s ILE 58 Ca -0.02 -1.26 0.05 0.00 0.00 0.00 0.00 60.65 59.41 3exf s ILE 58 Cb 0.12 -2.34 -0.07 0.00 0.01 0.00 0.00 42.46 40.19 3exf s ILE 58 CO 0.54 0.22 0.04 -0.13 0.00 0.00 0.00 174.94 175.61 3exf s ARG 59 N -1.82 1.69 3.43 2.79 0.52 -1.26 -4.74 118.95 119.56 3exf s ARG 59 Ca 0.17 -1.93 0.00 0.00 -0.52 0.00 0.00 55.73 53.45 3exf s ARG 59 Cb -0.11 -1.03 0.00 0.00 0.52 0.00 0.00 34.95 34.33 3exf s ARG 59 CO 0.09 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.68 3exf n GLY 60 N -0.72 0.02 3.77 -3.53 0.00 -1.26 -4.72 105.19 98.75 3exf n GLY 60 Ca -0.03 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 3exf n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3exf s PHE 61 N 0.00 2.78 -0.34 1.61 0.08 -1.26 -4.92 117.98 115.93 3exf s PHE 61 Ca 0.00 1.55 0.02 0.00 0.12 0.00 0.00 56.93 58.62 3exf s PHE 61 Cb 0.00 -3.30 0.19 0.00 -0.57 0.00 0.00 43.02 39.34 3exf s PHE 61 CO 0.00 -1.48 0.73 0.00 -0.10 0.00 0.00 175.22 174.37 3exf s HIS 63 N 2.38 3.42 0.03 0.00 3.76 -1.26 -3.47 115.29 120.14 3exf s HIS 63 Ca 0.15 0.33 0.04 0.00 -0.15 0.00 0.00 55.06 55.43 3exf s HIS 63 Cb -0.05 -2.13 -0.04 0.00 1.11 0.00 0.00 32.58 31.48 3exf s HIS 63 CO -0.17 0.33 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.49 3exf s LEU 64 N 0.19 3.24 -0.09 0.89 1.02 -1.26 -4.62 118.68 118.06 3exf s LEU 64 Ca 0.08 -0.16 0.16 0.00 0.02 0.00 0.00 54.13 54.23 3exf s LEU 64 Cb -0.11 -1.90 0.54 0.00 0.02 0.00 0.00 46.19 44.74 3exf s LEU 64 CO -0.01 0.26 1.46 0.00 0.02 0.00 0.00 176.35 178.07 3exf n ASP 66 N 0.54 0.37 0.00 0.00 2.03 -1.26 -0.36 116.55 117.87 3exf n ASP 66 Ca 0.20 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.86 3exf n ASP 66 Cb 0.73 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 3exf n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3exf n GLY 67 N 2.37 2.90 2.12 0.27 0.00 -1.26 -0.83 105.19 110.75 3exf n GLY 67 Ca 0.18 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3exf n GLY 67 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3exf n GLN 68 N 0.00 2.18 -0.03 1.61 6.02 0.52 -4.58 117.38 123.10 3exf n GLN 68 Ca 0.00 -2.71 -0.13 0.00 -0.01 0.00 0.00 57.00 54.15 3exf n GLN 68 Cb 0.00 -2.06 -0.10 0.00 1.02 0.00 0.00 30.24 29.10 3exf n GLN 68 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3exf h GLU 69 N 1.09 0.05 -0.40 -1.09 3.07 -1.90 -2.08 114.58 113.33 3exf h GLU 69 Ca 0.56 -0.03 0.08 0.00 -0.50 0.00 0.00 59.36 59.46 3exf h GLU 69 Cb 2.29 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 30.13 3exf h GLU 69 CO 1.07 0.60 -0.11 0.00 -1.40 0.00 0.00 179.01 179.16 3exf n ALA 70 N -2.39 0.06 -0.11 3.43 0.00 -1.26 -0.92 120.51 119.31 3exf n ALA 70 Ca -0.08 0.43 -0.09 0.00 0.00 0.00 0.00 53.44 53.70 3exf n ALA 70 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 3exf n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3exf h VAL 73 N 0.01 1.35 0.00 0.00 2.07 -1.02 -2.87 116.25 115.79 3exf h VAL 73 Ca -0.22 -2.62 -0.02 0.00 0.82 0.00 0.00 66.70 64.67 3exf h VAL 73 Cb 1.95 2.73 -0.00 0.00 -1.52 0.00 0.00 31.29 34.45 3exf h VAL 73 CO 0.10 0.78 -0.07 1.23 0.02 0.00 0.00 177.57 179.64 3exf h GLY 74 N 0.75 0.00 0.81 2.17 0.00 0.47 -2.35 103.07 104.92 3exf h GLY 74 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.82 3exf h GLY 74 CO 0.22 0.00 -1.84 1.41 0.00 0.00 0.00 176.54 176.33 3exf h LEU 75 N 0.00 0.37 -0.94 3.11 4.07 -1.46 -3.20 115.31 117.27 3exf h LEU 75 Ca -0.00 -0.73 -0.08 0.00 0.08 0.00 0.00 57.88 57.15 3exf h LEU 75 Cb 0.24 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 3exf h LEU 75 CO 0.01 1.64 -0.05 -0.08 -1.08 0.00 0.00 178.44 178.88 3exf h GLU 76 N 0.07 0.72 0.00 1.13 4.57 -1.22 -2.15 114.58 117.70 3exf h GLU 76 Ca -0.36 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 3exf h GLU 76 Cb 2.04 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.55 3exf h GLU 76 CO 0.11 0.77 0.00 0.00 -1.18 0.00 0.00 179.01 178.71 3exf n ALA 77 N -2.48 1.35 0.30 2.92 0.00 -0.93 -2.90 120.51 118.77 3exf n ALA 77 Ca 0.02 0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.58 3exf n ALA 77 Cb 0.32 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3exf n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3exf n GLY 78 N -0.67 -0.27 3.45 0.00 0.00 -0.82 -4.96 105.19 101.91 3exf n GLY 78 Ca 0.01 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 3exf n GLY 78 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3exf s ILE 79 N -1.01 2.18 0.58 -0.61 -4.36 -1.14 -4.04 121.20 112.79 3exf s ILE 79 Ca 0.06 -2.30 -0.11 0.00 -0.26 0.00 0.00 60.65 58.04 3exf s ILE 79 Cb 0.05 -2.32 -0.05 0.00 1.25 0.00 0.00 42.46 41.40 3exf s ILE 79 CO 0.16 -0.40 0.98 0.20 0.24 0.00 0.00 174.94 176.12 3exf s ASN 80 N -3.48 6.32 0.51 4.36 0.02 -1.26 -4.91 114.94 116.51 3exf s ASN 80 Ca 0.29 1.38 0.29 0.00 -1.02 0.00 0.00 52.86 53.80 3exf s ASN 80 Cb -0.02 -2.45 1.41 0.00 0.02 0.00 0.00 41.25 40.21 3exf s ASN 80 CO 0.13 -0.76 1.86 1.55 0.02 0.00 0.00 177.10 179.90 3exf h PRO 81 N 0.04 0.09 -0.19 -0.60 0.13 -2.01 0.51 132.00 129.97 3exf h PRO 81 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3exf h PRO 81 Cb 1.19 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3exf h PRO 81 CO 0.62 0.06 0.00 0.25 -0.23 0.00 0.00 178.00 178.70 3exf n THR 82 N -4.32 0.24 -2.18 1.56 -2.24 -1.26 -4.86 114.28 101.23 3exf n THR 82 Ca 0.20 -0.29 -0.27 0.00 -2.27 0.00 0.00 64.05 61.43 3exf n THR 82 Cb 0.97 0.16 0.12 0.00 -2.10 0.00 0.00 70.33 69.48 3exf n THR 82 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3exf s ASP 83 N -1.25 4.04 0.08 3.42 1.01 0.17 -4.80 116.67 119.34 3exf s ASP 83 Ca 0.23 0.20 0.07 0.00 0.71 0.00 0.00 52.55 53.76 3exf s ASP 83 Cb 0.12 -0.55 -0.04 0.00 1.01 0.00 0.00 42.92 43.46 3exf s ASP 83 CO 0.17 -2.11 -0.15 -1.00 0.21 0.00 0.00 175.17 172.29 3exf s HIS 84 N -3.49 2.62 -0.01 4.23 3.76 -0.23 -4.87 115.29 117.30 3exf s HIS 84 Ca 0.67 -0.22 0.02 0.00 -0.15 0.00 0.00 55.06 55.39 3exf s HIS 84 Cb -0.07 -1.42 -0.00 0.00 1.11 0.00 0.00 32.58 32.20 3exf s HIS 84 CO 0.48 0.35 -0.07 -1.17 -0.85 0.00 0.00 174.74 173.48 3exf s LEU 85 N -1.89 1.91 -0.19 0.89 0.20 -0.55 -0.96 118.68 118.10 3exf s LEU 85 Ca 0.18 -0.14 -0.09 0.00 0.69 0.00 0.00 54.13 54.77 3exf s LEU 85 Cb -0.11 -0.40 0.07 0.00 -0.43 0.00 0.00 46.19 45.32 3exf s LEU 85 CO 0.09 0.07 0.44 -0.51 -0.29 0.00 0.00 176.35 176.15 3exf s ILE 86 N -0.01 -0.21 0.27 6.68 2.07 -0.88 -2.31 121.20 126.81 3exf s ILE 86 Ca 0.01 0.11 0.02 0.00 -1.41 0.00 0.00 60.65 59.38 3exf s ILE 86 Cb -0.05 -0.66 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 3exf s ILE 86 CO -0.00 0.04 0.24 0.28 -1.91 0.00 0.00 174.94 173.59 3exf s THR 87 N 1.79 0.00 0.00 4.00 -1.32 -0.75 0.02 115.64 119.37 3exf s THR 87 Ca -0.07 -1.94 0.00 0.00 -1.21 0.00 0.00 61.69 58.46 3exf s THR 87 Cb -0.09 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.40 3exf s THR 87 CO -0.13 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.28 3exf n ALA 88 N -0.46 0.00 0.51 11.08 0.00 -1.26 -2.01 120.51 128.36 3exf n ALA 88 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.54 3exf n ALA 88 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.07 3exf n ALA 88 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3exf n TYR 89 N 0.00 0.00 -2.14 0.00 0.18 -0.98 0.96 117.16 115.19 3exf n TYR 89 Ca 0.00 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.37 3exf n TYR 89 Cb 0.00 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3exf n TYR 89 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 3exf n ARG 90 N -0.57 4.53 0.00 -3.48 0.63 -1.26 -4.64 116.66 111.87 3exf n ARG 90 Ca 0.04 -3.62 0.08 0.00 -0.92 0.00 0.00 57.85 53.42 3exf n ARG 90 Cb 0.22 -2.66 -0.09 0.00 0.45 0.00 0.00 32.46 30.38 3exf n ARG 90 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3exf n ALA 91 N 1.86 4.09 -0.18 5.13 0.00 -1.26 -4.50 120.51 125.65 3exf n ALA 91 Ca 0.56 -0.47 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 3exf n ALA 91 Cb 0.27 -0.60 0.01 0.00 0.00 0.00 0.00 19.45 19.13 3exf n ALA 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3exf h HIS 92 N 0.13 -0.76 -0.28 0.00 3.86 -1.85 -0.45 115.15 115.80 3exf h HIS 92 Ca 0.00 0.06 0.03 0.00 -1.16 0.00 0.00 60.37 59.30 3exf h HIS 92 Cb 0.40 0.41 -0.03 0.00 1.06 0.00 0.00 27.41 29.25 3exf h HIS 92 CO 0.00 -0.35 -0.18 0.78 0.86 0.00 0.00 177.93 179.04 3exf h GLY 93 N -0.15 -2.11 0.06 2.45 0.00 -1.95 -2.13 103.07 99.25 3exf h GLY 93 Ca 0.23 1.03 0.13 0.00 0.00 0.00 0.00 47.33 48.72 3exf h GLY 93 CO -0.62 -0.70 0.13 0.74 0.00 0.00 0.00 176.54 176.09 3exf h PHE 94 N -0.02 0.20 -0.80 5.60 0.04 -1.82 -1.22 116.94 118.91 3exf h PHE 94 Ca 0.05 0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.88 3exf h PHE 94 Cb 0.13 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.25 3exf h PHE 94 CO -0.93 -0.07 0.53 1.79 -0.60 0.00 0.00 178.31 179.04 3exf h THR 95 N 0.25 1.17 -0.17 -1.55 1.35 -0.41 0.15 112.91 113.71 3exf h THR 95 Ca 0.35 -0.36 -0.08 0.00 -0.55 0.00 0.00 66.41 65.77 3exf h THR 95 Cb 0.56 0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.01 3exf h THR 95 CO -0.46 0.19 -0.22 0.15 -0.25 0.00 0.00 175.52 174.93 3exf h PHE 96 N 1.05 0.55 0.00 4.73 3.57 -1.22 -2.13 116.94 123.48 3exf h PHE 96 Ca 0.31 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3exf h PHE 96 Cb -0.05 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 3exf h PHE 96 CO -0.00 0.86 -0.04 1.79 -2.23 0.00 0.00 178.31 178.68 3exf h THR 97 N 0.09 0.30 -0.73 4.41 1.35 -0.63 -2.33 112.91 115.38 3exf h THR 97 Ca 0.02 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3exf h THR 97 Cb 0.79 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3exf h THR 97 CO 0.05 0.04 0.00 -1.14 -0.25 0.00 0.00 175.52 174.22 3exf n ARG 98 N -3.43 2.81 0.00 4.72 3.00 0.48 -4.94 116.66 119.30 3exf n ARG 98 Ca -0.02 -2.66 0.00 0.00 -0.00 0.00 0.00 57.85 55.17 3exf n ARG 98 Cb 0.16 -1.60 0.00 0.00 0.00 0.00 0.00 32.46 31.02 3exf n ARG 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3exf n GLY 99 N 1.61 0.78 3.79 5.14 0.00 -0.87 -4.67 105.19 110.96 3exf n GLY 99 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 3exf n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3exf s LEU 100 N 0.00 3.03 0.31 0.99 1.02 -0.81 -5.03 118.68 118.19 3exf s LEU 100 Ca 0.00 1.71 0.07 0.00 0.02 0.00 0.00 54.13 55.93 3exf s LEU 100 Cb 0.00 -4.47 -0.02 0.00 0.02 0.00 0.00 46.19 41.72 3exf s LEU 100 CO 0.00 -1.82 0.38 -0.94 0.02 0.00 0.00 176.35 173.99 3exf s SER 101 N -3.57 5.80 0.17 2.29 1.04 -1.26 -4.49 113.70 113.67 3exf s SER 101 Ca 0.60 -0.23 -0.14 0.00 0.48 0.00 0.00 55.95 56.65 3exf s SER 101 Cb -0.16 -1.28 0.12 0.00 0.10 0.00 0.00 66.02 64.80 3exf s SER 101 CO 0.56 -0.31 1.76 0.58 0.98 0.00 0.00 173.24 176.81 3exf h VAL 102 N 1.09 0.90 -0.99 5.02 2.07 -1.96 -2.43 116.25 119.95 3exf h VAL 102 Ca -0.47 -0.13 0.18 0.00 0.82 0.00 0.00 66.70 67.10 3exf h VAL 102 Cb 1.25 0.48 -0.18 0.00 -1.52 0.00 0.00 31.29 31.33 3exf h VAL 102 CO 0.56 0.07 -0.29 0.54 0.02 0.00 0.00 177.57 178.48 3exf n ARG 103 N -4.96 -0.13 0.17 1.57 1.74 -1.26 -1.10 116.66 112.68 3exf n ARG 103 Ca 0.04 1.53 0.05 0.00 -0.77 0.00 0.00 57.85 58.70 3exf n ARG 103 Cb 0.15 -2.29 0.14 0.00 -1.02 0.00 0.00 32.46 29.45 3exf n ARG 103 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3exf h GLU 104 N 0.00 0.00 0.00 5.56 5.08 -1.70 0.05 114.58 123.57 3exf h GLU 104 Ca 0.43 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.71 3exf h GLU 104 Cb 0.68 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.94 3exf h GLU 104 CO -1.01 0.38 -0.33 0.82 -1.00 0.00 0.00 179.01 177.87 3exf h ILE 105 N 0.00 1.53 -0.36 3.13 2.04 -1.12 -1.51 117.51 121.21 3exf h ILE 105 Ca -0.00 -2.00 -0.16 0.00 1.00 0.00 0.00 64.86 63.69 3exf h ILE 105 Cb 1.19 2.76 -0.01 0.00 -0.74 0.00 0.00 36.82 40.02 3exf h ILE 105 CO 0.05 0.56 -0.41 -0.07 0.00 0.00 0.00 178.15 178.28 3exf h LEU 106 N -0.43 0.97 -1.29 1.44 3.38 -1.08 -1.41 115.31 116.89 3exf h LEU 106 Ca -0.04 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 3exf h LEU 106 Cb 1.09 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3exf h LEU 106 CO 0.07 1.24 -0.15 0.00 0.09 0.00 0.00 178.44 179.69 3exf h ALA 107 N 0.80 1.41 -0.17 1.53 0.00 -1.03 -1.76 119.26 120.05 3exf h ALA 107 Ca 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3exf h ALA 107 Cb 1.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3exf h ALA 107 CO 0.10 0.41 0.01 1.49 0.00 0.00 0.00 179.25 181.26 3exf h GLU 108 N 0.28 0.28 -0.81 0.00 4.57 -0.88 -0.46 114.58 117.56 3exf h GLU 108 Ca 0.05 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 3exf h GLU 108 Cb 0.44 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.95 3exf h GLU 108 CO 0.03 0.48 0.53 -0.07 -1.18 0.00 0.00 179.01 178.80 3exf h LEU 109 N 0.05 0.84 -1.88 1.64 3.38 -0.93 -2.48 115.31 115.94 3exf h LEU 109 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3exf h LEU 109 Cb 0.35 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3exf h LEU 109 CO 0.01 0.57 0.00 0.35 0.09 0.00 0.00 178.44 179.45 3exf n THR 110 N -4.46 0.69 -2.21 0.22 -2.24 -0.69 -4.42 114.28 101.17 3exf n THR 110 Ca 0.11 -0.68 -0.07 0.00 -2.27 0.00 0.00 64.05 61.14 3exf n THR 110 Cb 0.14 0.33 -0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3exf n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3exf n GLY 111 N 1.29 0.12 3.99 3.38 0.00 -0.93 -4.94 105.19 108.10 3exf n GLY 111 Ca 0.17 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 3exf n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3exf s ARG 112 N -4.46 1.92 -0.06 1.61 1.81 -0.20 -4.38 118.95 115.18 3exf s ARG 112 Ca 0.02 -1.09 -0.19 0.00 -1.72 0.00 0.00 55.73 52.75 3exf s ARG 112 Cb -0.01 -2.39 -0.30 0.00 -0.45 0.00 0.00 34.95 31.80 3exf s ARG 112 CO 0.03 -1.23 0.77 1.57 -0.68 0.00 0.00 175.30 175.75 3exf h LYS 113 N -0.33 0.29 -2.02 3.54 2.10 -1.72 -3.21 116.57 115.21 3exf h LYS 113 Ca -0.37 -0.50 -0.01 0.00 -2.00 0.00 0.00 60.65 57.77 3exf h LYS 113 Cb 1.28 0.19 -0.00 0.00 -0.90 0.00 0.00 32.23 32.79 3exf h LYS 113 CO 0.43 1.24 -0.01 0.41 -2.00 0.00 0.00 179.45 179.51 3exf n GLY 114 N 1.70 2.09 3.96 0.07 0.00 -1.26 -4.24 105.19 107.50 3exf n GLY 114 Ca -0.18 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 3exf n GLY 114 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3exf s GLY 115 N 2.02 1.47 0.53 -0.02 0.00 -1.22 -4.63 107.32 105.46 3exf s GLY 115 Ca 0.04 -1.08 0.31 0.00 0.00 0.00 0.00 44.72 43.99 3exf s GLY 115 CO 0.00 -0.97 2.00 0.00 0.00 0.00 0.00 173.10 174.13 3exf n ALA 117 N -2.16 3.88 -0.89 0.00 0.00 -1.26 -4.90 120.51 115.18 3exf n ALA 117 Ca -0.00 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.37 3exf n ALA 117 Cb 0.30 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.14 3exf n ALA 117 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3exf n LYS 118 N -1.09 -1.22 -0.49 0.00 4.76 -0.75 -1.71 118.16 117.66 3exf n LYS 118 Ca 0.27 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 3exf n LYS 118 Cb 0.91 -4.53 0.00 0.00 -1.84 0.00 0.00 35.03 29.57 3exf n LYS 118 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3exf n GLY 119 N -0.29 0.76 0.01 0.72 0.00 -1.22 -4.60 105.19 100.57 3exf n GLY 119 Ca 0.00 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 3exf n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3exf n LYS 120 N -2.49 0.23 -0.03 1.61 4.76 -0.70 -4.58 118.16 116.97 3exf n LYS 120 Ca 0.00 -0.04 -0.01 0.00 -2.87 0.00 0.00 58.31 55.38 3exf n LYS 120 Cb 0.00 -1.54 -0.00 0.00 -1.84 0.00 0.00 35.03 31.65 3exf n LYS 120 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3exf h GLY 121 N 4.64 0.00 -0.18 0.72 0.00 -1.83 -3.50 103.07 102.92 3exf h GLY 121 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3exf h GLY 121 CO 0.00 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 177.12 3exf n GLY 122 N 1.74 -2.12 0.22 4.60 0.00 -1.26 -4.41 105.19 103.96 3exf n GLY 122 Ca -0.02 -1.45 -0.03 0.00 0.00 0.00 0.00 46.02 44.52 3exf n GLY 122 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3exf n SER 123 N -0.43 -0.47 0.26 1.61 2.88 -1.26 -1.59 113.62 114.62 3exf n SER 123 Ca 0.00 0.98 0.16 0.00 -1.33 0.00 0.00 58.87 58.68 3exf n SER 123 Cb 0.04 -0.18 0.59 0.00 -0.75 0.00 0.00 64.21 63.90 3exf n SER 123 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3exf h MET 124 N 0.00 0.00 -2.03 -1.46 2.86 -1.82 -3.40 114.93 109.07 3exf h MET 124 Ca 0.15 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.22 3exf h MET 124 Cb 0.28 0.00 -0.42 0.00 0.06 0.00 0.00 31.60 31.53 3exf h MET 124 CO -0.54 0.00 -0.74 0.72 1.06 0.00 0.00 176.91 177.41 3exf n HIS 125 N -3.05 3.41 -3.77 -0.22 -0.00 -0.62 -3.28 115.22 107.68 3exf n HIS 125 Ca 0.01 -3.73 -0.37 0.00 -0.00 0.00 0.00 57.72 53.63 3exf n HIS 125 Cb 0.34 -0.38 -0.06 0.00 -0.00 0.00 0.00 29.99 29.89 3exf n HIS 125 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3exf s MET 126 N -3.37 3.57 0.13 -0.41 1.00 -1.26 -4.67 119.30 114.29 3exf s MET 126 Ca 0.47 0.01 0.09 0.00 0.00 0.00 0.00 55.69 56.26 3exf s MET 126 Cb 0.32 -3.18 -0.04 0.00 0.00 0.00 0.00 34.83 31.93 3exf s MET 126 CO -0.14 0.74 -0.23 0.71 0.00 0.00 0.00 175.02 176.11 3exf s TYR 127 N -1.08 1.99 0.20 -0.03 1.51 -1.26 -3.36 117.35 115.31 3exf s TYR 127 Ca 0.19 -0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 55.78 3exf s TYR 127 Cb -0.13 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.63 3exf s TYR 127 CO 0.08 0.29 0.25 0.00 -1.11 0.00 0.00 175.55 175.05 3exf s ALA 128 N -1.28 0.52 -0.31 3.71 0.00 -0.40 -4.97 121.76 119.03 3exf s ALA 128 Ca 0.11 -1.29 -0.41 0.00 0.00 0.00 0.00 51.96 50.36 3exf s ALA 128 Cb -0.09 1.15 -0.16 0.00 0.00 0.00 0.00 23.12 24.01 3exf s ALA 128 CO 0.06 -0.66 1.71 1.17 0.00 0.00 0.00 175.76 178.03 3exf n LYS 129 N -0.27 0.93 -1.06 0.00 3.00 -1.26 -0.39 118.16 119.11 3exf n LYS 129 Ca -0.02 0.34 -0.02 0.00 -0.00 0.00 0.00 58.31 58.62 3exf n LYS 129 Cb 0.64 -1.99 -0.01 0.00 0.00 0.00 0.00 35.03 33.67 3exf n LYS 129 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3exf n ASN 130 N 5.05 -5.92 -4.08 3.14 4.13 -1.26 -4.93 115.26 111.39 3exf n ASN 130 Ca 0.27 0.05 -0.29 0.00 1.68 0.00 0.00 54.58 56.29 3exf n ASN 130 Cb 0.09 -3.60 -0.17 0.00 -1.54 0.00 0.00 39.78 34.57 3exf n ASN 130 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3exf s PHE 131 N -1.19 2.05 -0.52 3.10 5.36 0.48 -1.49 117.98 125.78 3exf s PHE 131 Ca 0.00 -0.94 0.06 0.00 -0.96 0.00 0.00 56.93 55.09 3exf s PHE 131 Cb 0.00 -1.46 0.36 0.00 -0.34 0.00 0.00 43.02 41.58 3exf s PHE 131 CO 0.00 -0.47 0.94 0.66 -1.46 0.00 0.00 175.22 174.90 3exf n TYR 132 N 4.08 3.35 0.00 10.12 4.02 -0.98 -1.27 117.16 136.49 3exf n TYR 132 Ca -0.20 -3.81 0.00 0.00 -0.01 0.00 0.00 57.90 53.89 3exf n TYR 132 Cb 0.51 -0.42 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 3exf n TYR 132 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3exf n GLY 133 N -0.21 -0.14 1.44 2.72 0.00 -1.22 -4.68 105.19 103.11 3exf n GLY 133 Ca 0.31 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3exf n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3exf n GLY 134 N 0.01 0.30 2.85 -0.02 0.00 0.27 -1.81 105.19 106.81 3exf n GLY 134 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 3exf n GLY 134 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3exf s ASN 135 N -2.46 -0.02 -0.05 1.61 0.01 -0.38 -4.48 114.94 109.18 3exf s ASN 135 Ca 0.00 0.14 0.12 0.00 -0.71 0.00 0.00 52.86 52.41 3exf s ASN 135 Cb 0.00 0.06 0.35 0.00 0.41 0.00 0.00 41.25 42.07 3exf s ASN 135 CO 0.00 -0.11 1.29 0.61 -1.51 0.00 0.00 177.10 177.37 3exf n GLY 136 N 3.97 3.13 3.18 0.66 0.00 -1.26 -2.32 105.19 112.55 3exf n GLY 136 Ca -0.24 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 3exf n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3exf s ILE 137 N -1.49 2.39 0.09 -0.61 -1.09 -1.26 -5.03 121.20 114.20 3exf s ILE 137 Ca 0.27 -0.84 -0.31 0.00 -2.23 0.00 0.00 60.65 57.55 3exf s ILE 137 Cb 0.17 -2.02 -0.08 0.00 -1.58 0.00 0.00 42.46 38.96 3exf s ILE 137 CO 0.13 0.52 1.45 -0.69 -1.23 0.00 0.00 174.94 175.12 3exf s VAL 138 N 1.21 3.25 0.00 2.92 1.01 -1.26 -2.40 120.40 125.13 3exf s VAL 138 Ca 0.02 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.84 3exf s VAL 138 Cb -0.14 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3exf s VAL 138 CO -0.08 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.67 3exf n GLY 139 N 3.63 1.46 0.13 4.51 0.00 -1.26 -4.81 105.19 108.85 3exf n GLY 139 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 3exf n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3exf h ALA 140 N 0.00 1.00 -0.00 4.61 0.00 -1.89 -1.99 119.26 120.99 3exf h ALA 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3exf h ALA 140 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3exf h ALA 140 CO 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 3exf n GLN 141 N -2.33 0.32 0.06 0.00 0.00 -1.26 -3.70 117.38 110.47 3exf n GLN 141 Ca 0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 57.00 56.90 3exf n GLN 141 Cb 0.31 -1.50 -0.07 0.00 0.00 0.00 0.00 30.24 28.98 3exf n GLN 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3exf h VAL 142 N 0.08 0.70 -1.06 -0.39 2.07 -1.65 -1.04 116.25 114.96 3exf h VAL 142 Ca 0.00 -1.11 0.28 0.00 0.82 0.00 0.00 66.70 66.69 3exf h VAL 142 Cb 0.37 1.20 -0.10 0.00 -1.52 0.00 0.00 31.29 31.24 3exf h VAL 142 CO 0.00 0.19 0.68 -0.65 0.02 0.00 0.00 177.57 177.81 3exf h PRO 143 N -0.92 0.36 0.72 1.57 0.11 -1.75 0.11 132.00 132.19 3exf h PRO 143 Ca -0.02 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 3exf h PRO 143 Cb 0.49 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.53 3exf h PRO 143 CO 0.04 0.24 -0.35 -0.07 -0.21 0.00 0.00 178.00 177.65 3exf h LEU 144 N 0.37 -0.82 -0.96 2.35 3.38 -1.62 0.22 115.31 118.23 3exf h LEU 144 Ca 0.62 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.90 3exf h LEU 144 Cb 1.60 0.21 -0.17 0.00 0.09 0.00 0.00 40.66 42.39 3exf h LEU 144 CO -0.32 -0.49 0.25 1.23 0.09 0.00 0.00 178.44 179.20 3exf h GLY 145 N -1.14 1.59 1.04 0.83 0.00 -0.42 0.81 103.07 105.78 3exf h GLY 145 Ca -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 3exf h GLY 145 CO 0.16 -0.55 0.35 0.00 0.00 0.00 0.00 176.54 176.50 3exf h ALA 146 N 1.92 1.04 -0.31 3.60 0.00 -0.25 -0.73 119.26 124.52 3exf h ALA 146 Ca 0.66 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.27 3exf h ALA 146 Cb 1.48 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3exf h ALA 146 CO -0.79 0.64 -0.31 0.78 0.00 0.00 0.00 179.25 179.56 3exf h GLY 147 N 1.15 0.71 0.77 0.00 0.00 0.38 0.23 103.07 106.31 3exf h GLY 147 Ca 0.27 -0.65 0.04 0.00 0.00 0.00 0.00 47.33 46.99 3exf h GLY 147 CO -0.03 0.59 0.33 -2.22 0.00 0.00 0.00 176.54 175.22 3exf h ILE 148 N 0.56 1.00 -0.45 2.60 2.04 -0.48 -1.89 117.51 120.90 3exf h ILE 148 Ca 0.07 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 3exf h ILE 148 Cb 0.81 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3exf h ILE 148 CO 0.07 0.12 0.06 0.00 0.00 0.00 0.00 178.15 178.39 3exf h ALA 149 N 1.29 1.27 -0.90 1.87 0.00 -0.41 -1.39 119.26 120.99 3exf h ALA 149 Ca 0.25 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.06 3exf h ALA 149 Cb 0.11 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3exf h ALA 149 CO -0.14 0.50 0.58 1.25 0.00 0.00 0.00 179.25 181.44 3exf h LEU 150 N 0.67 0.77 0.01 0.00 5.85 -0.19 -2.42 115.31 120.00 3exf h LEU 150 Ca 0.14 0.03 -0.27 0.00 0.84 0.00 0.00 57.88 58.62 3exf h LEU 150 Cb 0.33 -0.13 0.02 0.00 0.37 0.00 0.00 40.66 41.25 3exf h LEU 150 CO 0.01 0.43 -1.09 0.00 -0.34 0.00 0.00 178.44 177.45 3exf h ALA 151 N 1.57 0.12 -0.16 1.25 0.00 -0.76 -1.82 119.26 119.46 3exf h ALA 151 Ca 0.43 -0.72 0.05 0.00 0.00 0.00 0.00 54.91 54.68 3exf h ALA 151 Cb 0.51 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3exf h ALA 151 CO -0.20 0.70 -0.24 0.00 0.00 0.00 0.00 179.25 179.52 3exf h LYS 153 N -0.28 0.92 -0.14 0.00 3.64 -1.51 -1.23 116.57 117.97 3exf h LYS 153 Ca 0.11 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 3exf h LYS 153 Cb 0.45 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3exf h LYS 153 CO -0.32 0.61 -0.47 -0.92 -2.27 0.00 0.00 179.45 176.07 3exf h TYR 154 N 0.94 0.42 -0.00 1.91 5.03 -0.12 -2.80 116.97 122.36 3exf h TYR 154 Ca 0.28 -0.13 0.00 0.00 2.58 0.00 0.00 58.73 61.46 3exf h TYR 154 Cb -0.03 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.16 3exf h TYR 154 CO -0.00 0.75 -0.37 0.09 -1.32 0.00 0.00 178.16 177.31 3exf n ASN 155 N -3.98 0.52 -4.30 -2.11 3.02 0.17 -4.98 115.26 103.60 3exf n ASN 155 Ca -0.02 -0.28 -0.31 0.00 -0.03 0.00 0.00 54.58 53.94 3exf n ASN 155 Cb 0.53 0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.73 3exf n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3exf n GLY 156 N 1.46 -0.15 1.60 7.41 0.00 -0.49 -4.88 105.19 110.13 3exf n GLY 156 Ca 0.07 0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.37 3exf n GLY 156 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3exf n LYS 157 N -4.60 3.76 -3.77 1.61 4.76 -1.24 -4.95 118.16 113.72 3exf n LYS 157 Ca -0.32 -2.90 -0.29 0.00 -2.87 0.00 0.00 58.31 51.92 3exf n LYS 157 Cb 0.69 -1.90 -0.00 0.00 -1.84 0.00 0.00 35.03 31.98 3exf n LYS 157 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3exf n ASP 158 N 1.13 -3.91 -4.82 4.39 8.00 -1.26 -5.00 116.55 115.08 3exf n ASP 158 Ca 0.26 -0.68 -0.36 0.00 0.71 0.00 0.00 54.79 54.72 3exf n ASP 158 Cb 0.90 -3.19 -0.06 0.00 -0.02 0.00 0.00 41.12 38.75 3exf n ASP 158 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3exf s GLU 159 N -6.46 4.23 0.25 -1.24 2.02 -1.26 -4.88 118.70 111.36 3exf s GLU 159 Ca 0.58 0.86 0.07 0.00 0.02 0.00 0.00 54.97 56.50 3exf s GLU 159 Cb -0.31 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 3exf s GLU 159 CO 0.71 0.35 0.17 0.14 0.02 0.00 0.00 175.26 176.65 3exf s VAL 160 N -1.60 4.33 -0.13 2.63 -7.23 -1.26 -4.64 120.40 112.50 3exf s VAL 160 Ca 0.45 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 3exf s VAL 160 Cb -0.16 -3.33 0.02 0.00 0.56 0.00 0.00 36.38 33.47 3exf s VAL 160 CO 0.20 -0.35 -0.13 0.00 -0.31 0.00 0.00 175.10 174.52 3exf s LEU 162 N 1.38 4.48 -0.25 0.00 1.02 -0.13 -1.59 118.68 123.58 3exf s LEU 162 Ca 0.01 1.52 -0.03 0.00 0.02 0.00 0.00 54.13 55.65 3exf s LEU 162 Cb -0.13 -3.39 0.10 0.00 0.02 0.00 0.00 46.19 42.80 3exf s LEU 162 CO -0.07 0.14 0.20 -0.89 0.02 0.00 0.00 176.35 175.75 3exf s THR 163 N -1.31 -0.25 0.36 5.49 2.01 -0.39 -2.06 115.64 119.50 3exf s THR 163 Ca 0.38 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.95 3exf s THR 163 Cb -0.20 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 3exf s THR 163 CO 0.23 -0.45 0.57 -0.76 -0.69 0.00 0.00 174.62 173.52 3exf s LEU 164 N 2.25 3.97 0.03 4.42 1.02 0.10 -1.54 118.68 128.92 3exf s LEU 164 Ca 0.08 0.46 -0.28 0.00 0.02 0.00 0.00 54.13 54.41 3exf s LEU 164 Cb -0.15 -3.33 0.09 0.00 0.02 0.00 0.00 46.19 42.82 3exf s LEU 164 CO -0.26 -0.34 0.88 -0.72 0.02 0.00 0.00 176.35 175.94 3exf s TYR 165 N -2.36 -0.32 0.35 0.29 1.13 -0.81 -4.46 117.35 111.17 3exf s TYR 165 Ca 0.41 0.16 0.01 0.00 -1.41 0.00 0.00 57.07 56.23 3exf s TYR 165 Cb -0.10 0.56 0.07 0.00 -1.10 0.00 0.00 41.96 41.39 3exf s TYR 165 CO 0.37 -0.60 0.48 0.41 -2.51 0.00 0.00 175.55 173.69 3exf n GLY 166 N -0.29 0.87 0.28 5.49 0.00 -1.26 0.20 105.19 110.49 3exf n GLY 166 Ca -0.09 -2.02 -0.03 0.00 0.00 0.00 0.00 46.02 43.88 3exf n GLY 166 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3exf h ASP 167 N -0.25 0.68 1.13 1.61 3.04 -1.83 -2.21 116.42 118.60 3exf h ASP 167 Ca -0.16 -0.16 -0.09 0.00 -3.24 0.00 0.00 57.03 53.38 3exf h ASP 167 Cb 0.61 -0.18 -0.01 0.00 -1.04 0.00 0.00 39.33 38.70 3exf h ASP 167 CO 0.18 0.76 -0.45 1.23 -2.04 0.00 0.00 179.24 178.92 3exf h GLY 168 N 0.95 0.00 1.79 7.15 0.00 -1.90 -3.12 103.07 107.94 3exf h GLY 168 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.36 3exf h GLY 168 CO 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 176.54 176.14 3exf h ALA 169 N 1.55 1.11 0.00 3.60 0.00 -1.82 -3.26 119.26 120.44 3exf h ALA 169 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3exf h ALA 169 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3exf h ALA 169 CO 0.06 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3exf n ALA 170 N -2.47 1.91 0.27 0.00 0.00 -0.87 -1.25 120.51 118.10 3exf n ALA 170 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.46 3exf n ALA 170 Cb 0.48 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.97 3exf n ALA 170 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3exf n ASN 171 N -0.35 1.80 -4.65 0.00 3.02 -1.23 -4.98 115.26 108.87 3exf n ASN 171 Ca 0.00 -1.42 -0.43 0.00 -0.03 0.00 0.00 54.58 52.70 3exf n ASN 171 Cb 0.02 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 3exf n ASN 171 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3exf s GLN 172 N -0.71 4.06 0.19 3.52 -1.52 -0.38 -4.94 119.66 119.88 3exf s GLN 172 Ca 0.10 1.56 -0.16 0.00 -1.95 0.00 0.00 55.36 54.92 3exf s GLN 172 Cb 0.07 -3.86 0.18 0.00 -0.22 0.00 0.00 33.01 29.18 3exf s GLN 172 CO 0.10 -0.95 1.31 0.41 -0.25 0.00 0.00 175.29 175.92 3exf n GLY 173 N 4.05 -1.79 0.33 3.09 0.00 -1.26 -0.70 105.19 108.91 3exf n GLY 173 Ca 0.15 0.95 0.18 0.00 0.00 0.00 0.00 46.02 47.31 3exf n GLY 173 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3exf h GLN 174 N 0.00 0.00 0.76 1.61 3.07 -1.92 -2.18 115.11 116.45 3exf h GLN 174 Ca 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.99 3exf h GLN 174 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.05 3exf h GLN 174 CO -0.84 0.00 -0.45 0.82 0.09 0.00 0.00 178.83 178.45 3exf h ILE 175 N 0.00 0.00 -0.76 1.86 2.04 -1.18 -2.64 117.51 116.83 3exf h ILE 175 Ca 0.02 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.03 3exf h ILE 175 Cb 0.23 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.21 3exf h ILE 175 CO -0.00 0.00 0.28 -0.26 0.00 0.00 0.00 178.15 178.17 3exf h PHE 176 N -1.13 0.48 -0.12 1.37 -1.00 -1.50 0.10 116.94 115.15 3exf h PHE 176 Ca -0.10 0.04 0.05 0.00 2.81 0.00 0.00 57.97 60.76 3exf h PHE 176 Cb 0.90 -0.10 -0.06 0.00 3.61 0.00 0.00 35.95 40.30 3exf h PHE 176 CO -0.07 0.03 -0.26 0.93 -1.61 0.00 0.00 178.31 177.33 3exf h GLU 177 N 0.41 -0.32 0.00 1.51 5.08 -1.49 0.67 114.58 120.44 3exf h GLU 177 Ca 0.42 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.78 3exf h GLU 177 Cb 0.66 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 3exf h GLU 177 CO -0.43 -0.21 -0.10 0.00 -1.00 0.00 0.00 179.01 177.27 3exf h ALA 178 N 0.58 1.76 -0.83 3.43 0.00 -0.98 -1.54 119.26 121.68 3exf h ALA 178 Ca 0.10 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3exf h ALA 178 Cb 0.48 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 3exf h ALA 178 CO -0.31 0.12 0.49 1.88 0.00 0.00 0.00 179.25 181.44 3exf h TYR 179 N 0.00 0.91 0.29 0.00 0.05 0.16 -1.84 116.97 116.54 3exf h TYR 179 Ca -0.00 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3exf h TYR 179 Cb 0.18 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.64 3exf h TYR 179 CO 0.00 0.41 -0.14 -0.97 -1.05 0.00 0.00 178.16 176.41 3exf h ASN 180 N 0.86 -0.33 -0.31 3.88 -1.24 -0.90 -1.72 115.58 115.82 3exf h ASN 180 Ca 0.38 -0.20 0.02 0.00 0.71 0.00 0.00 56.30 57.22 3exf h ASN 180 Cb 0.27 0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.38 3exf h ASN 180 CO -0.21 0.11 0.15 0.24 -1.29 0.00 0.00 177.43 176.43 3exf h MET 181 N -0.89 0.30 -0.83 6.67 2.86 -1.52 0.32 114.93 121.85 3exf h MET 181 Ca -0.04 -0.02 0.16 0.00 -2.06 0.00 0.00 59.70 57.75 3exf h MET 181 Cb 0.51 -0.07 -0.16 0.00 0.06 0.00 0.00 31.60 31.95 3exf h MET 181 CO 0.07 0.20 -0.21 0.00 1.06 0.00 0.00 176.91 178.03 3exf h ALA 182 N 1.16 0.53 0.05 6.32 0.00 -1.40 0.64 119.26 126.57 3exf h ALA 182 Ca 0.13 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 3exf h ALA 182 Cb 0.05 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3exf h ALA 182 CO -0.09 -0.41 -0.02 0.00 0.00 0.00 0.00 179.25 178.73 3exf h ALA 183 N 1.81 -0.06 -1.04 0.00 0.00 -0.67 -0.96 119.26 118.33 3exf h ALA 183 Ca 0.39 -0.30 0.27 0.00 0.00 0.00 0.00 54.91 55.27 3exf h ALA 183 Cb 0.60 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 3exf h ALA 183 CO -0.85 -0.20 0.69 1.25 0.00 0.00 0.00 179.25 180.14 3exf h LEU 184 N -0.74 0.33 -1.47 0.00 5.85 -0.11 -0.76 115.31 118.42 3exf h LEU 184 Ca -0.01 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3exf h LEU 184 Cb 0.63 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3exf h LEU 184 CO 0.01 0.07 -0.21 0.79 -0.34 0.00 0.00 178.44 178.76 3exf n TRP 185 N -4.51 0.00 -3.48 1.25 8.01 0.22 -4.97 117.44 113.95 3exf n TRP 185 Ca 0.24 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 56.22 3exf n TRP 185 Cb 0.93 0.00 0.06 0.00 -2.01 0.00 0.00 31.31 30.29 3exf n TRP 185 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3exf n LYS 186 N 0.67 -2.98 -2.93 -0.99 5.02 -0.29 -4.97 118.16 111.69 3exf n LYS 186 Ca 0.11 0.70 -0.40 0.00 -2.02 0.00 0.00 58.31 56.70 3exf n LYS 186 Cb 0.52 -5.22 -0.05 0.00 -0.02 0.00 0.00 35.03 30.25 3exf n LYS 186 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3exf s LEU 187 N -6.07 4.50 -0.38 -0.35 1.43 -0.43 -4.31 118.68 113.08 3exf s LEU 187 Ca 0.32 1.57 -0.04 0.00 -1.03 0.00 0.00 54.13 54.94 3exf s LEU 187 Cb -0.07 -3.32 -0.11 0.00 0.03 0.00 0.00 46.19 42.72 3exf s LEU 187 CO 0.79 0.05 2.23 -0.81 0.23 0.00 0.00 176.35 178.83 3exf n PRO 188 N 2.49 1.54 -3.49 1.29 -0.04 -1.26 -1.66 135.00 133.87 3exf n PRO 188 Ca -0.02 -0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 62.08 3exf n PRO 188 Cb 0.50 -2.06 -0.07 0.00 -0.04 0.00 0.00 33.50 31.82 3exf n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3exf s ILE 190 N 1.30 3.21 -0.48 0.00 1.09 -0.62 -3.56 121.20 122.15 3exf s ILE 190 Ca 0.06 0.23 -0.22 0.00 -1.10 0.00 0.00 60.65 59.62 3exf s ILE 190 Cb -0.26 -3.23 0.03 0.00 -1.06 0.00 0.00 42.46 37.94 3exf s ILE 190 CO -0.00 -0.11 0.75 -0.36 -0.10 0.00 0.00 174.94 175.11 3exf s PHE 191 N 6.59 2.98 -0.24 3.97 0.08 0.14 -1.26 117.98 130.24 3exf s PHE 191 Ca 0.89 -0.05 -0.08 0.00 0.12 0.00 0.00 56.93 57.81 3exf s PHE 191 Cb -0.32 -3.64 -0.04 0.00 -0.57 0.00 0.00 43.02 38.45 3exf s PHE 191 CO 0.35 -1.04 0.10 0.42 -0.10 0.00 0.00 175.22 174.96 3exf s ILE 192 N 3.18 4.67 -0.27 0.64 1.01 -0.59 -0.89 121.20 128.94 3exf s ILE 192 Ca 0.25 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.75 3exf s ILE 192 Cb -0.14 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 3exf s ILE 192 CO 0.19 0.34 0.14 0.00 0.00 0.00 0.00 174.94 175.61 3exf s GLU 194 N 1.70 3.56 -0.61 0.00 2.02 0.13 0.86 118.70 126.35 3exf s GLU 194 Ca 0.07 -1.85 -0.23 0.00 0.02 0.00 0.00 54.97 52.99 3exf s GLU 194 Cb -0.16 -4.77 0.06 0.00 0.10 0.00 0.00 34.13 29.36 3exf s GLU 194 CO 0.08 -1.67 0.92 1.21 0.02 0.00 0.00 175.26 175.81 3exf s ASN 195 N 3.35 6.22 -0.16 -0.19 2.47 0.24 -3.09 114.94 123.79 3exf s ASN 195 Ca 0.29 -0.82 0.16 0.00 0.42 0.00 0.00 52.86 52.90 3exf s ASN 195 Cb -0.07 -2.41 0.49 0.00 -1.45 0.00 0.00 41.25 37.81 3exf s ASN 195 CO -0.08 -1.32 1.39 -0.46 -3.72 0.00 0.00 177.10 172.91 3exf n ASN 196 N 7.45 3.69 0.00 -4.21 0.23 -1.26 -0.97 115.26 120.19 3exf n ASN 196 Ca -0.03 -2.91 0.00 0.00 -0.53 0.00 0.00 54.58 51.11 3exf n ASN 196 Cb 0.46 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 3exf n ASN 196 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3exf n ARG 197 N -0.45 0.00 -4.33 -3.83 1.74 -1.26 -4.57 116.66 103.96 3exf n ARG 197 Ca 0.20 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 57.00 3exf n ARG 197 Cb 0.83 -0.21 -0.11 0.00 -1.02 0.00 0.00 32.46 31.95 3exf n ARG 197 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3exf s TYR 198 N -0.25 2.50 -0.59 -1.55 2.02 -1.26 -1.98 117.35 116.23 3exf s TYR 198 Ca 0.00 -0.28 0.05 0.00 -0.37 0.00 0.00 57.07 56.47 3exf s TYR 198 Cb 0.00 -1.29 0.19 0.00 -0.40 0.00 0.00 41.96 40.46 3exf s TYR 198 CO 0.00 0.43 0.51 0.41 -1.57 0.00 0.00 175.55 175.33 3exf n GLY 199 N 0.54 3.60 7.00 0.71 0.00 0.33 -4.59 105.19 112.78 3exf n GLY 199 Ca -0.14 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.66 3exf n GLY 199 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3exf n MET 200 N 1.91 0.00 0.11 1.61 0.00 -1.26 -2.98 117.12 116.51 3exf n MET 200 Ca 0.24 0.00 0.12 0.00 -0.00 0.00 0.00 57.70 58.06 3exf n MET 200 Cb 0.41 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.64 3exf n MET 200 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3exf h GLY 201 N 0.00 0.00 -6.90 -5.12 0.00 -2.01 -3.44 103.07 85.60 3exf h GLY 201 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 3exf h GLY 201 CO 0.00 0.00 -0.22 -1.59 0.00 0.00 0.00 176.54 174.73 3exf s THR 202 N -3.36 5.18 0.06 4.70 2.01 -1.16 -4.88 115.64 118.20 3exf s THR 202 Ca -0.00 0.63 -0.11 0.00 0.31 0.00 0.00 61.69 62.52 3exf s THR 202 Cb 0.09 -3.71 -0.06 0.00 0.01 0.00 0.00 72.50 68.83 3exf s THR 202 CO 0.78 0.20 0.40 0.00 -0.69 0.00 0.00 174.62 175.31 3exf s ALA 203 N 1.75 3.72 0.02 7.40 0.00 -1.26 -0.51 121.76 132.89 3exf s ALA 203 Ca 0.17 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.78 3exf s ALA 203 Cb -0.15 -2.29 0.07 0.00 0.00 0.00 0.00 23.12 20.75 3exf s ALA 203 CO 0.09 0.55 0.12 1.33 0.00 0.00 0.00 175.76 177.84 3exf n VAL 204 N 1.11 -0.03 -1.13 0.00 0.24 -0.84 -1.52 118.33 116.16 3exf n VAL 204 Ca -0.09 0.16 -0.25 0.00 -2.04 0.00 0.00 64.34 62.11 3exf n VAL 204 Cb 0.52 -0.24 0.14 0.00 -1.47 0.00 0.00 33.84 32.79 3exf n VAL 204 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3exf n GLU 205 N -3.61 2.29 0.00 7.34 4.71 -1.26 -2.06 120.64 128.05 3exf n GLU 205 Ca 0.02 -2.88 0.00 0.00 -0.01 0.00 0.00 57.16 54.29 3exf n GLU 205 Cb 0.07 -2.13 0.00 0.00 -1.01 0.00 0.00 31.44 28.37 3exf n GLU 205 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3exf n ARG 206 N -0.95 4.90 0.00 3.49 1.74 -0.58 -4.78 116.66 120.49 3exf n ARG 206 Ca 0.57 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 3exf n ARG 206 Cb 1.31 -0.40 0.00 0.00 -1.02 0.00 0.00 32.46 32.34 3exf n ARG 206 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3exf n ALA 207 N -0.76 1.85 -3.84 7.54 0.00 -1.25 -5.02 120.51 119.03 3exf n ALA 207 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3exf n ALA 207 Cb 0.00 0.21 -0.15 0.00 0.00 0.00 0.00 19.45 19.51 3exf n ALA 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3exf s ALA 208 N -1.85 2.57 0.17 0.00 0.00 -0.88 -5.01 121.76 116.76 3exf s ALA 208 Ca 0.00 -1.28 -0.19 0.00 0.00 0.00 0.00 51.96 50.49 3exf s ALA 208 Cb 0.00 -1.47 0.10 0.00 0.00 0.00 0.00 23.12 21.75 3exf s ALA 208 CO 0.00 -0.51 1.63 0.00 0.00 0.00 0.00 175.76 176.88 3exf h ALA 209 N 8.00 0.08 -3.51 0.00 0.00 -1.96 -3.40 119.26 118.48 3exf h ALA 209 Ca -0.41 0.14 -0.67 0.00 0.00 0.00 0.00 54.91 53.98 3exf h ALA 209 Cb 1.14 0.50 -0.27 0.00 0.00 0.00 0.00 17.79 19.16 3exf h ALA 209 CO 0.61 -0.57 -0.78 0.45 0.00 0.00 0.00 179.25 178.95 3exf s SER 210 N -5.13 3.89 -0.05 0.00 0.15 -1.26 -5.00 113.70 106.29 3exf s SER 210 Ca -0.14 -0.33 0.16 0.00 0.70 0.00 0.00 55.95 56.34 3exf s SER 210 Cb 0.15 -1.39 0.51 0.00 -1.71 0.00 0.00 66.02 63.58 3exf s SER 210 CO 0.70 0.21 1.43 0.35 1.20 0.00 0.00 173.24 177.13 3exf n THR 211 N 3.24 1.36 -2.73 6.45 -2.24 -1.26 -4.70 114.28 114.40 3exf n THR 211 Ca -0.18 -1.16 -0.42 0.00 -2.27 0.00 0.00 64.05 60.02 3exf n THR 211 Cb 0.53 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 3exf n THR 211 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3exf s ASP 212 N -1.09 6.56 0.27 3.42 1.01 -1.26 -4.88 116.67 120.69 3exf s ASP 212 Ca 0.38 -1.73 0.12 0.00 0.71 0.00 0.00 52.55 52.04 3exf s ASP 212 Cb 0.23 -2.49 0.29 0.00 1.01 0.00 0.00 42.92 41.96 3exf s ASP 212 CO 0.21 -1.30 1.56 1.88 0.21 0.00 0.00 175.17 177.73 3exf h TYR 213 N 9.35 0.00 0.00 4.23 0.05 -2.01 -2.84 116.97 125.74 3exf h TYR 213 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 3exf h TYR 213 Cb 1.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.76 3exf h TYR 213 CO 1.23 0.63 0.00 2.48 -1.05 0.00 0.00 178.16 181.44 3exf n TYR 214 N -3.60 0.00 0.33 4.88 4.11 -1.26 -2.28 117.16 119.34 3exf n TYR 214 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.95 3exf n TYR 214 Cb 0.67 -0.15 0.06 0.00 -0.00 0.00 0.00 39.34 39.91 3exf n TYR 214 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3exf n LYS 215 N -1.15 0.74 0.28 -3.48 5.02 -1.07 -4.17 118.16 114.33 3exf n LYS 215 Ca 0.14 -1.22 0.14 0.00 -2.02 0.00 0.00 58.31 55.35 3exf n LYS 215 Cb 0.13 -1.20 0.82 0.00 -0.02 0.00 0.00 35.03 34.77 3exf n LYS 215 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3exf h ARG 216 N 1.92 0.00 0.00 1.97 2.47 -1.47 -0.16 114.38 119.11 3exf h ARG 216 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3exf h ARG 216 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 3exf h ARG 216 CO 0.00 0.07 0.00 0.41 0.56 0.00 0.00 179.97 181.01 3exf n GLY 217 N -0.90 -1.57 5.65 0.04 0.00 -1.26 -4.94 105.19 102.21 3exf n GLY 217 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3exf n GLY 217 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3exf n ASP 218 N -2.23 0.00 0.26 1.61 2.03 -0.07 -1.82 116.55 116.32 3exf n ASP 218 Ca 0.05 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.52 3exf n ASP 218 Cb 0.37 0.00 0.63 0.00 -0.72 0.00 0.00 41.12 41.39 3exf n ASP 218 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 3exf h PHE 219 N 0.00 0.00 -3.34 -0.67 -5.15 -1.92 -3.43 116.94 102.43 3exf h PHE 219 Ca 0.00 0.00 -0.56 0.00 -0.20 0.00 0.00 57.97 57.21 3exf h PHE 219 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 36.12 3exf h PHE 219 CO 0.00 0.00 0.03 0.42 -2.00 0.00 0.00 178.31 176.76 3exf s ILE 220 N -3.59 4.90 0.80 0.88 1.01 -0.76 -5.05 121.20 119.39 3exf s ILE 220 Ca 0.02 1.33 -0.12 0.00 0.00 0.00 0.00 60.65 61.89 3exf s ILE 220 Cb 0.09 -3.98 0.07 0.00 0.01 0.00 0.00 42.46 38.65 3exf s ILE 220 CO 0.54 0.38 1.11 -2.16 0.00 0.00 0.00 174.94 174.81 3exf s PRO 221 N -0.02 2.08 0.18 2.79 0.04 -1.26 -4.63 135.00 134.18 3exf s PRO 221 Ca 0.33 0.54 -0.23 0.00 0.04 0.00 0.00 61.00 61.68 3exf s PRO 221 Cb -0.18 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.49 3exf s PRO 221 CO 0.18 -1.60 0.70 0.20 0.04 0.00 0.00 177.00 176.53 3exf s GLY 222 N -4.03 -0.39 0.01 0.56 0.00 -0.51 -0.72 107.32 102.25 3exf s GLY 222 Ca 0.61 0.24 -0.00 0.00 0.00 0.00 0.00 44.72 45.57 3exf s GLY 222 CO 0.53 0.08 -0.01 0.48 0.00 0.00 0.00 173.10 174.19 3exf s LEU 223 N -2.80 2.10 -0.19 0.66 2.34 0.48 -0.87 118.68 120.41 3exf s LEU 223 Ca 0.06 -0.28 -0.08 0.00 0.06 0.00 0.00 54.13 53.88 3exf s LEU 223 Cb -0.03 0.09 -0.04 0.00 -0.56 0.00 0.00 46.19 45.65 3exf s LEU 223 CO -0.04 -0.18 0.09 -0.60 -1.06 0.00 0.00 176.35 174.55 3exf s ARG 224 N -0.87 4.05 -0.03 1.48 3.52 -0.51 -1.98 118.95 124.62 3exf s ARG 224 Ca -0.10 -0.30 0.05 0.00 -0.13 0.00 0.00 55.73 55.26 3exf s ARG 224 Cb -0.06 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 30.02 3exf s ARG 224 CO -0.01 0.27 -0.18 0.08 -0.81 0.00 0.00 175.30 174.66 3exf s VAL 225 N 0.39 1.46 -0.90 7.11 1.01 0.51 -3.63 120.40 126.35 3exf s VAL 225 Ca 0.05 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.03 3exf s VAL 225 Cb -0.12 -1.24 -0.19 0.00 0.00 0.00 0.00 36.38 34.83 3exf s VAL 225 CO -0.00 0.42 2.16 -0.67 0.00 0.00 0.00 175.10 177.00 3exf n ASP 226 N 2.88 1.16 0.00 3.32 -0.08 -1.26 -1.23 116.55 121.34 3exf n ASP 226 Ca -0.16 -1.96 0.07 0.00 -1.51 0.00 0.00 54.79 51.23 3exf n ASP 226 Cb 0.53 -1.58 0.43 0.00 2.34 0.00 0.00 41.12 42.83 3exf n ASP 226 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3exf n GLY 227 N 6.26 -0.53 0.08 0.27 0.00 -0.56 -2.62 105.19 108.09 3exf n GLY 227 Ca 0.42 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.39 3exf n GLY 227 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3exf n MET 228 N -0.92 0.63 -3.75 1.61 2.81 -1.21 -3.80 117.12 112.48 3exf n MET 228 Ca 0.11 0.09 -0.37 0.00 -1.81 0.00 0.00 57.70 55.72 3exf n MET 228 Cb 0.05 -1.73 -0.11 0.00 -0.71 0.00 0.00 33.22 30.72 3exf n MET 228 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3exf s ASP 229 N -5.38 5.31 0.48 7.83 2.15 -1.08 -3.69 116.67 122.30 3exf s ASP 229 Ca -0.04 -1.96 0.43 0.00 0.43 0.00 0.00 52.55 51.42 3exf s ASP 229 Cb 0.10 -1.85 1.48 0.00 -0.30 0.00 0.00 42.92 42.35 3exf s ASP 229 CO 0.83 -0.55 1.34 0.00 -0.17 0.00 0.00 175.17 176.62 3exf n ILE 230 N 4.65 0.00 0.05 4.11 0.13 -1.26 -1.46 119.36 125.58 3exf n ILE 230 Ca -0.04 1.28 -0.18 0.00 -1.10 0.00 0.00 62.75 62.71 3exf n ILE 230 Cb 0.41 -2.14 -0.08 0.00 -0.84 0.00 0.00 39.64 36.99 3exf n ILE 230 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 3exf h LEU 231 N 0.00 0.79 -0.86 9.51 3.38 -1.93 -2.75 115.31 123.45 3exf h LEU 231 Ca 0.81 -0.63 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3exf h LEU 231 Cb 3.26 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 43.73 3exf h LEU 231 CO -0.01 1.43 0.34 0.00 0.09 0.00 0.00 178.44 180.30 3exf h VAL 233 N 1.16 1.26 -0.46 0.00 2.07 -1.55 0.20 116.25 118.93 3exf h VAL 233 Ca 0.27 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 3exf h VAL 233 Cb 0.18 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3exf h VAL 233 CO -0.03 0.33 0.17 -0.09 0.02 0.00 0.00 177.57 177.97 3exf h ARG 234 N 0.40 0.71 -0.50 1.57 2.43 -1.33 0.52 114.38 118.17 3exf h ARG 234 Ca 0.09 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3exf h ARG 234 Cb 0.49 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3exf h ARG 234 CO 0.02 0.65 0.23 1.49 -1.51 0.00 0.00 179.97 180.85 3exf h GLU 235 N 0.61 0.72 -0.11 0.20 4.57 -0.99 -1.76 114.58 117.82 3exf h GLU 235 Ca 0.15 -0.11 -0.12 0.00 -1.18 0.00 0.00 59.36 58.10 3exf h GLU 235 Cb 0.22 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3exf h GLU 235 CO -0.01 0.62 -0.46 0.00 -1.18 0.00 0.00 179.01 177.97 3exf h ALA 236 N 1.07 1.01 -0.42 2.92 0.00 -0.36 -0.54 119.26 122.94 3exf h ALA 236 Ca 0.17 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3exf h ALA 236 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3exf h ALA 236 CO -0.02 0.63 -0.09 1.15 0.00 0.00 0.00 179.25 180.93 3exf h THR 237 N 0.22 1.27 -0.41 0.00 2.02 0.13 -1.87 112.91 114.27 3exf h THR 237 Ca 0.01 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 3exf h THR 237 Cb 0.91 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 3exf h THR 237 CO 0.07 0.40 0.19 -0.09 0.37 0.00 0.00 175.52 176.47 3exf h ARG 238 N 0.62 0.59 0.69 6.66 2.43 -1.03 0.65 114.38 124.99 3exf h ARG 238 Ca 0.11 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3exf h ARG 238 Cb 0.61 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3exf h ARG 238 CO 0.04 0.52 -0.40 0.35 -1.51 0.00 0.00 179.97 178.97 3exf h PHE 239 N 0.52 -1.05 -0.93 2.20 3.04 -1.13 -1.04 116.94 118.54 3exf h PHE 239 Ca 0.14 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.19 3exf h PHE 239 Cb 0.12 0.37 -0.08 0.00 2.56 0.00 0.00 35.95 38.92 3exf h PHE 239 CO -0.01 -0.61 0.56 0.00 -2.02 0.00 0.00 178.31 176.23 3exf h ALA 240 N -0.77 1.38 -0.35 2.41 0.00 -1.03 -1.72 119.26 119.19 3exf h ALA 240 Ca -0.09 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3exf h ALA 240 Cb 0.81 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3exf h ALA 240 CO 0.10 0.16 -0.18 0.00 0.00 0.00 0.00 179.25 179.33 3exf h ALA 241 N 1.51 0.49 -0.75 0.00 0.00 0.35 -2.44 119.26 118.42 3exf h ALA 241 Ca 0.46 -0.35 0.12 0.00 0.00 0.00 0.00 54.91 55.14 3exf h ALA 241 Cb 0.46 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3exf h ALA 241 CO -0.27 0.42 0.50 0.00 0.00 0.00 0.00 179.25 179.90 3exf h ALA 242 N 0.78 1.96 0.33 0.00 0.00 -0.55 -0.71 119.26 121.07 3exf h ALA 242 Ca 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3exf h ALA 242 Cb 0.72 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3exf h ALA 242 CO 0.05 -0.14 -0.16 -0.92 0.00 0.00 0.00 179.25 178.08 3exf h TYR 243 N 0.54 -0.40 -0.29 0.00 5.03 -1.02 -2.46 116.97 118.36 3exf h TYR 243 Ca 0.36 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.71 3exf h TYR 243 Cb 0.66 0.13 -0.04 0.00 1.55 0.00 0.00 36.73 39.03 3exf h TYR 243 CO -0.00 -0.06 0.03 0.00 -1.32 0.00 0.00 178.16 176.80 3exf h ARG 245 N 0.12 -0.13 0.00 0.00 3.08 -1.16 -2.15 114.38 114.14 3exf h ARG 245 Ca 0.14 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3exf h ARG 245 Cb 0.17 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3exf h ARG 245 CO -0.21 -0.09 0.00 -1.13 -1.07 0.00 0.00 179.97 177.47 3exf n SER 246 N -5.39 0.00 0.00 7.04 3.41 -0.93 -4.79 113.62 112.97 3exf n SER 246 Ca 0.02 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 3exf n SER 246 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3exf n SER 246 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3exf n GLY 247 N -0.21 0.47 0.07 5.00 0.00 -0.81 -4.95 105.19 104.77 3exf n GLY 247 Ca 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3exf n GLY 247 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3exf n LYS 248 N -2.89 0.93 0.00 1.61 5.02 -1.17 -5.01 118.16 116.65 3exf n LYS 248 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3exf n LYS 248 Cb 0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 3exf n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3exf n GLY 249 N 0.38 -1.05 3.79 0.72 0.00 -1.26 -4.94 105.19 102.83 3exf n GLY 249 Ca 0.00 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 3exf n GLY 249 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3exf s PRO 250 N 0.00 4.05 0.03 1.61 0.04 -0.66 -4.14 135.00 135.93 3exf s PRO 250 Ca 0.00 1.39 -0.00 0.00 0.04 0.00 0.00 61.00 62.43 3exf s PRO 250 Cb 0.00 -2.33 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 3exf s PRO 250 CO 0.00 -0.22 -0.03 -1.50 0.04 0.00 0.00 177.00 175.29 3exf s ILE 251 N -1.85 0.15 -0.08 0.56 2.07 -1.23 -4.45 121.20 116.37 3exf s ILE 251 Ca 0.62 -1.15 0.04 0.00 -1.41 0.00 0.00 60.65 58.74 3exf s ILE 251 Cb -0.18 -0.60 -0.00 0.00 0.13 0.00 0.00 42.46 41.81 3exf s ILE 251 CO 0.22 -0.63 -0.22 -0.22 -1.91 0.00 0.00 174.94 172.18 3exf s LEU 252 N -1.85 2.02 -0.21 8.50 0.20 0.10 -0.68 118.68 126.75 3exf s LEU 252 Ca -0.10 -0.50 -0.04 0.00 0.69 0.00 0.00 54.13 54.19 3exf s LEU 252 Cb -0.05 -1.29 0.07 0.00 -0.43 0.00 0.00 46.19 44.48 3exf s LEU 252 CO -0.03 0.16 0.07 -0.32 -0.29 0.00 0.00 176.35 175.94 3exf s MET 253 N 0.25 0.39 -0.31 1.98 -2.45 -0.07 -0.39 119.30 118.70 3exf s MET 253 Ca -0.14 -0.39 -0.27 0.00 -1.25 0.00 0.00 55.69 53.65 3exf s MET 253 Cb -0.16 -1.86 0.01 0.00 1.25 0.00 0.00 34.83 34.07 3exf s MET 253 CO 0.07 -0.74 0.96 -2.00 1.05 0.00 0.00 175.02 174.35 3exf s GLU 254 N 1.97 4.03 -0.26 4.11 2.12 -0.84 -0.01 118.70 129.81 3exf s GLU 254 Ca 0.03 0.89 -0.16 0.00 0.36 0.00 0.00 54.97 56.09 3exf s GLU 254 Cb -0.17 -3.73 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 3exf s GLU 254 CO -0.15 -0.80 0.41 -0.51 -0.54 0.00 0.00 175.26 173.67 3exf s LEU 255 N 3.36 4.05 -0.60 2.70 1.02 0.25 -0.36 118.68 129.09 3exf s LEU 255 Ca 0.40 0.36 -0.18 0.00 0.02 0.00 0.00 54.13 54.73 3exf s LEU 255 Cb -0.13 -2.49 0.12 0.00 0.02 0.00 0.00 46.19 43.70 3exf s LEU 255 CO 0.14 -0.20 0.67 -1.10 0.02 0.00 0.00 176.35 175.87 3exf s GLN 256 N 2.09 3.07 0.00 1.70 -0.21 -0.37 -0.59 119.66 125.36 3exf s GLN 256 Ca 0.17 -1.49 0.00 0.00 0.02 0.00 0.00 55.36 54.06 3exf s GLN 256 Cb -0.16 -4.30 0.00 0.00 1.00 0.00 0.00 33.01 29.55 3exf s GLN 256 CO 0.10 -1.48 0.00 -2.37 -2.12 0.00 0.00 175.29 169.41 3exf n THR 257 N 5.39 0.00 -3.55 -0.19 5.66 -0.14 -1.50 114.28 119.95 3exf n THR 257 Ca -0.09 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.75 3exf n THR 257 Cb 0.42 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.14 3exf n THR 257 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 3exf s TYR 258 N -0.04 -0.64 -0.08 1.09 6.14 -1.26 -4.21 117.35 118.34 3exf s TYR 258 Ca 0.00 1.22 0.03 0.00 0.64 0.00 0.00 57.07 58.96 3exf s TYR 258 Cb 0.00 0.39 -0.02 0.00 0.42 0.00 0.00 41.96 42.75 3exf s TYR 258 CO 0.00 -0.52 -0.16 -0.98 0.64 0.00 0.00 175.55 174.53 3exf s ARG 259 N -0.82 2.80 0.10 4.97 1.70 -1.26 -3.16 118.95 123.28 3exf s ARG 259 Ca -0.07 -0.73 -0.06 0.00 -0.47 0.00 0.00 55.73 54.40 3exf s ARG 259 Cb -0.01 -2.42 -0.17 0.00 -0.57 0.00 0.00 34.95 31.77 3exf s ARG 259 CO 0.07 0.45 1.23 1.88 -1.08 0.00 0.00 175.30 177.84 3exf h TYR 260 N 5.92 0.64 -3.43 5.89 0.05 -1.33 -3.46 116.97 121.24 3exf h TYR 260 Ca -0.37 -0.39 -0.46 0.00 0.05 0.00 0.00 58.73 57.57 3exf h TYR 260 Cb 1.18 -0.06 0.10 0.00 1.01 0.00 0.00 36.73 38.96 3exf h TYR 260 CO 0.49 1.24 0.25 -1.01 -1.05 0.00 0.00 178.16 178.08 3exf s HIS 261 N -3.06 2.20 1.16 4.88 3.76 -1.26 -5.06 115.29 117.92 3exf s HIS 261 Ca -0.06 0.22 -0.16 0.00 -0.15 0.00 0.00 55.06 54.91 3exf s HIS 261 Cb 0.08 -3.41 0.27 0.00 1.11 0.00 0.00 32.58 30.63 3exf s HIS 261 CO 0.88 -1.84 1.07 0.20 -0.85 0.00 0.00 174.74 174.20 3exf s GLY 262 N -4.68 1.55 0.17 -2.22 0.00 -1.26 -4.93 107.32 95.95 3exf s GLY 262 Ca 0.66 -0.62 -0.26 0.00 0.00 0.00 0.00 44.72 44.49 3exf s GLY 262 CO 0.47 0.17 1.50 1.57 0.00 0.00 0.00 173.10 176.80 3exf n HIS 263 N -4.72 -0.29 -4.25 1.90 -0.00 -1.26 -4.72 115.22 101.88 3exf n HIS 263 Ca 0.09 1.21 -0.19 0.00 0.46 0.00 0.00 57.72 59.28 3exf n HIS 263 Cb 0.58 -0.66 -0.07 0.00 -0.12 0.00 0.00 29.99 29.72 3exf n HIS 263 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 3exf s SER 264 N -5.44 1.66 0.18 0.26 1.04 -1.26 -4.50 113.70 105.64 3exf s SER 264 Ca -0.12 -1.75 0.16 0.00 0.48 0.00 0.00 55.95 54.72 3exf s SER 264 Cb 0.13 0.59 0.77 0.00 0.10 0.00 0.00 66.02 67.61 3exf s SER 264 CO 0.63 -1.13 1.49 0.23 0.98 0.00 0.00 173.24 175.44 3exf n MET 265 N -0.64 0.10 -0.08 4.02 0.00 -1.23 -2.06 117.12 117.23 3exf n MET 265 Ca 0.07 0.50 -0.07 0.00 0.00 0.00 0.00 57.70 58.20 3exf n MET 265 Cb 0.62 -1.76 -0.16 0.00 0.00 0.00 0.00 33.22 31.91 3exf n MET 265 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3exf n SER 266 N -1.97 0.03 -4.59 7.83 3.41 -1.26 -4.82 113.62 112.25 3exf n SER 266 Ca 0.00 0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.21 3exf n SER 266 Cb 0.09 1.10 -0.03 0.00 -0.26 0.00 0.00 64.21 65.12 3exf n SER 266 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3exf s ASP 267 N -5.37 5.69 0.00 4.04 2.15 -0.88 -4.94 116.67 117.36 3exf s ASP 267 Ca -0.10 1.19 0.00 0.00 0.43 0.00 0.00 52.55 54.07 3exf s ASP 267 Cb 0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 3exf s ASP 267 CO 0.84 -1.89 0.89 -2.65 -0.17 0.00 0.00 175.17 172.19 3exf n PRO 268 N 8.60 0.00 -1.28 4.34 -0.02 -1.26 -4.31 135.00 141.07 3exf n PRO 268 Ca 0.24 0.39 -0.09 0.00 -2.02 0.00 0.00 63.50 62.01 3exf n PRO 268 Cb 0.48 -1.60 -0.04 0.00 -0.02 0.00 0.00 33.50 32.32 3exf n PRO 268 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3exf n GLY 269 N -1.39 0.97 0.00 -1.23 0.00 -1.26 -4.67 105.19 97.61 3exf n GLY 269 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3exf n GLY 269 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3exf n VAL 270 N -2.33 0.00 0.86 1.61 3.14 -1.26 -4.65 118.33 115.69 3exf n VAL 270 Ca -0.09 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.40 3exf n VAL 270 Cb 0.51 -0.40 0.52 0.00 -1.06 0.00 0.00 33.84 33.41 3exf n VAL 270 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3exf n ALA 271 N -1.49 2.10 -1.02 1.55 0.00 -1.26 -3.62 120.51 116.75 3exf n ALA 271 Ca 0.00 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.40 3exf n ALA 271 Cb 0.26 -1.38 0.07 0.00 0.00 0.00 0.00 19.45 18.40 3exf n ALA 271 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3exf n TYR 272 N -1.47 0.00 -3.49 0.00 4.11 -1.26 -5.03 117.16 110.02 3exf n TYR 272 Ca 0.06 -0.60 0.03 0.00 -0.00 0.00 0.00 57.90 57.39 3exf n TYR 272 Cb 0.26 -0.10 -0.05 0.00 -0.00 0.00 0.00 39.34 39.45 3exf n TYR 272 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.86 175.88 3exf s ARG 273 N -1.65 0.00 0.49 -3.48 1.70 -1.24 -4.99 118.95 109.78 3exf s ARG 273 Ca 0.16 0.00 -0.15 0.00 -0.47 0.00 0.00 55.73 55.27 3exf s ARG 273 Cb 0.14 0.00 -0.08 0.00 -0.57 0.00 0.00 34.95 34.44 3exf s ARG 273 CO 0.01 -0.00 0.94 0.95 -1.08 0.00 0.00 175.30 176.12 3exf s THR 274 N 1.32 4.59 0.35 4.99 -4.23 -1.26 -4.49 115.64 116.90 3exf s THR 274 Ca -0.05 1.08 0.29 0.00 -1.18 0.00 0.00 61.69 61.83 3exf s THR 274 Cb -0.01 -3.72 0.31 0.00 1.34 0.00 0.00 72.50 70.41 3exf s THR 274 CO -0.11 -0.65 2.04 0.03 -0.54 0.00 0.00 174.62 175.39 3exf h ARG 275 N 1.00 0.00 -0.70 3.99 -0.00 -1.92 -2.40 114.38 114.35 3exf h ARG 275 Ca -0.47 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.00 3exf h ARG 275 Cb 1.18 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.12 3exf h ARG 275 CO 0.62 0.12 0.39 1.05 0.00 0.00 0.00 179.97 182.15 3exf h GLU 276 N 0.00 0.96 -0.60 0.04 -0.00 -1.97 -0.36 114.58 112.64 3exf h GLU 276 Ca -0.00 -0.10 -0.07 0.00 -0.00 0.00 0.00 59.36 59.20 3exf h GLU 276 Cb 0.41 -0.20 -0.02 0.00 -0.00 0.00 0.00 28.75 28.94 3exf h GLU 276 CO 0.02 0.69 0.12 1.49 -0.00 0.00 0.00 179.01 181.33 3exf h GLU 277 N 0.97 0.99 -0.57 1.06 4.81 -1.82 0.26 114.58 120.28 3exf h GLU 277 Ca 0.25 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 3exf h GLU 277 Cb 0.01 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 3exf h GLU 277 CO -0.04 0.92 0.13 0.82 -0.73 0.00 0.00 179.01 180.10 3exf h ILE 278 N 0.90 1.25 -0.77 2.32 2.04 -1.59 -2.31 117.51 119.35 3exf h ILE 278 Ca 0.19 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 3exf h ILE 278 Cb 0.40 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3exf h ILE 278 CO 0.01 0.34 0.32 -0.61 0.00 0.00 0.00 178.15 178.21 3exf h GLN 279 N 0.83 1.13 0.18 2.37 5.75 -0.78 -1.13 115.11 123.46 3exf h GLN 279 Ca 0.18 -0.19 -0.31 0.00 -0.15 0.00 0.00 58.65 58.17 3exf h GLN 279 Cb 0.37 -0.19 0.03 0.00 1.07 0.00 0.00 27.48 28.75 3exf h GLN 279 CO 0.00 0.91 -1.35 1.49 -2.65 0.00 0.00 178.83 177.23 3exf h GLU 280 N 1.11 0.53 -0.50 1.69 4.81 -0.41 -1.14 114.58 120.67 3exf h GLU 280 Ca 0.26 -0.81 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 3exf h GLU 280 Cb 0.19 0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3exf h GLU 280 CO -0.02 1.38 0.23 0.28 -0.73 0.00 0.00 179.01 180.14 3exf h VAL 281 N 0.18 1.17 -0.16 0.32 2.07 -1.22 -0.21 116.25 118.41 3exf h VAL 281 Ca -0.21 -0.50 -0.21 0.00 0.82 0.00 0.00 66.70 66.60 3exf h VAL 281 Cb 2.04 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3exf h VAL 281 CO 0.25 0.20 -0.73 -0.09 0.02 0.00 0.00 177.57 177.23 3exf h ARG 282 N 0.70 0.78 -0.08 1.57 2.43 -1.09 -1.50 114.38 117.19 3exf h ARG 282 Ca 0.17 -0.62 -0.06 0.00 -0.81 0.00 0.00 59.98 58.66 3exf h ARG 282 Cb 0.09 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3exf h ARG 282 CO -0.02 1.23 -0.20 0.66 -1.51 0.00 0.00 179.97 180.13 3exf h SER 283 N 0.51 0.31 1.64 -3.80 4.64 -0.95 -3.20 113.55 112.69 3exf h SER 283 Ca -0.05 -0.59 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 3exf h SER 283 Cb 1.36 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3exf h SER 283 CO 0.15 0.85 0.00 0.50 -0.87 0.00 0.00 176.83 177.46 3exf h LYS 284 N -0.21 0.00 0.00 4.77 3.64 -1.14 -3.41 116.57 120.22 3exf h LYS 284 Ca -0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 3exf h LYS 284 Cb 0.81 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.50 3exf h LYS 284 CO 0.04 0.00 -0.22 -1.13 -2.27 0.00 0.00 179.45 175.88 3exf n SER 285 N -2.78 -1.80 -4.77 4.20 3.41 -0.57 -5.04 113.62 106.28 3exf n SER 285 Ca 0.04 -2.59 -0.39 0.00 -0.26 0.00 0.00 58.87 55.67 3exf n SER 285 Cb 0.45 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.71 3exf n SER 285 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3exf s ASP 286 N -0.89 6.13 0.23 4.04 2.15 -1.21 -4.81 116.67 122.30 3exf s ASP 286 Ca 0.18 2.62 -0.07 0.00 0.43 0.00 0.00 52.55 55.71 3exf s ASP 286 Cb 0.29 -2.63 0.28 0.00 -0.30 0.00 0.00 42.92 40.56 3exf s ASP 286 CO -0.08 -0.97 1.85 1.55 -0.17 0.00 0.00 175.17 177.34 3exf h PRO 287 N 2.39 0.89 -0.08 4.34 0.13 -1.84 -0.43 132.00 137.39 3exf h PRO 287 Ca -0.50 -0.05 -0.23 0.00 -0.87 0.00 0.00 66.00 64.35 3exf h PRO 287 Cb 1.25 -0.20 0.01 0.00 0.13 0.00 0.00 31.00 32.19 3exf h PRO 287 CO 0.61 0.59 -0.87 0.82 -0.23 0.00 0.00 178.00 178.93 3exf h ILE 288 N 0.92 1.30 0.00 -3.56 2.04 -1.90 -2.37 117.51 113.94 3exf h ILE 288 Ca 0.34 -2.13 -0.09 0.00 1.00 0.00 0.00 64.86 63.98 3exf h ILE 288 Cb 0.12 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 3exf h ILE 288 CO -0.15 0.66 -0.43 -0.03 0.00 0.00 0.00 178.15 178.19 3exf h MET 289 N 0.43 0.00 0.55 2.37 4.05 -1.92 -2.35 114.93 118.06 3exf h MET 289 Ca -0.07 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.32 3exf h MET 289 Cb 1.50 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.30 3exf h MET 289 CO 0.17 0.43 -0.26 -0.07 0.23 0.00 0.00 176.91 177.41 3exf h LEU 290 N 0.00 -0.62 0.04 3.39 4.07 -0.89 -2.23 115.31 119.07 3exf h LEU 290 Ca -0.00 -0.05 0.03 0.00 0.08 0.00 0.00 57.88 57.93 3exf h LEU 290 Cb 0.90 0.16 -0.05 0.00 1.08 0.00 0.00 40.66 42.76 3exf h LEU 290 CO 0.06 -0.29 -0.37 0.25 -1.08 0.00 0.00 178.44 177.01 3exf h LEU 291 N -0.97 -1.09 -1.00 1.67 5.85 -1.34 -0.68 115.31 117.75 3exf h LEU 291 Ca -0.07 0.13 0.38 0.00 0.84 0.00 0.00 57.88 59.16 3exf h LEU 291 Cb 0.63 0.43 -0.18 0.00 0.37 0.00 0.00 40.66 41.91 3exf h LEU 291 CO 0.12 -0.43 0.44 0.50 -0.34 0.00 0.00 178.44 178.74 3exf h LYS 292 N -0.55 0.03 0.44 1.25 3.64 -1.49 0.12 116.57 120.01 3exf h LYS 292 Ca 0.05 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3exf h LYS 292 Cb 0.61 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3exf h LYS 292 CO -0.27 0.02 -0.21 -0.44 -2.27 0.00 0.00 179.45 176.28 3exf h ASP 293 N 0.03 -0.50 -0.91 4.20 3.32 -0.49 -2.44 116.42 119.63 3exf h ASP 293 Ca 0.79 0.02 0.14 0.00 0.02 0.00 0.00 57.03 58.00 3exf h ASP 293 Cb 2.00 0.13 -0.15 0.00 0.22 0.00 0.00 39.33 41.53 3exf h ASP 293 CO -0.78 -0.26 -0.37 0.54 -1.72 0.00 0.00 179.24 176.65 3exf n ARG 294 N -4.07 -0.22 0.25 3.56 1.74 -0.55 -0.28 116.66 117.08 3exf n ARG 294 Ca -0.07 1.41 -0.16 0.00 -0.77 0.00 0.00 57.85 58.26 3exf n ARG 294 Cb 0.23 -2.09 -0.09 0.00 -1.02 0.00 0.00 32.46 29.50 3exf n ARG 294 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3exf h MET 295 N 0.00 -0.83 -0.10 5.56 2.86 -0.88 -2.84 114.93 118.69 3exf h MET 295 Ca 0.31 0.06 0.03 0.00 -2.06 0.00 0.00 59.70 58.04 3exf h MET 295 Cb 0.54 0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 3exf h MET 295 CO -0.91 -0.56 -0.09 0.28 1.06 0.00 0.00 176.91 176.70 3exf h VAL 296 N -0.87 0.73 0.00 -2.22 2.07 -0.71 -1.56 116.25 113.69 3exf h VAL 296 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3exf h VAL 296 Cb 0.75 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3exf h VAL 296 CO -0.06 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.12 3exf n ASN 297 N -5.23 0.00 -1.89 0.57 3.02 0.61 -2.14 115.26 110.20 3exf n ASN 297 Ca -0.04 0.22 -0.08 0.00 -0.03 0.00 0.00 54.58 54.65 3exf n ASN 297 Cb 0.15 -0.30 0.07 0.00 -0.61 0.00 0.00 39.78 39.09 3exf n ASN 297 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3exf n SER 298 N -1.30 2.84 -2.23 6.41 3.41 -1.04 -4.97 113.62 116.74 3exf n SER 298 Ca 0.03 -3.07 -0.05 0.00 -0.26 0.00 0.00 58.87 55.51 3exf n SER 298 Cb 0.05 -0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 63.58 3exf n SER 298 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3exf n ASN 299 N -0.60 -2.04 0.10 4.04 4.05 -0.91 -4.71 115.26 115.19 3exf n ASN 299 Ca 0.24 0.33 -0.23 0.00 0.45 0.00 0.00 54.58 55.37 3exf n ASN 299 Cb 0.89 -1.88 -0.13 0.00 1.23 0.00 0.00 39.78 39.88 3exf n ASN 299 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 3exf h LEU 300 N 0.00 0.87 -7.87 1.20 5.85 -1.52 -1.26 115.31 112.58 3exf h LEU 300 Ca -0.12 -0.82 -0.06 0.00 0.84 0.00 0.00 57.88 57.72 3exf h LEU 300 Cb 0.95 -0.27 -0.11 0.00 0.37 0.00 0.00 40.66 41.60 3exf h LEU 300 CO 0.14 1.63 -0.12 0.00 -0.34 0.00 0.00 178.44 179.75 3exf s ALA 301 N -2.92 -0.52 0.18 1.25 0.00 -1.15 -4.72 121.76 113.88 3exf s ALA 301 Ca -0.09 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.37 3exf s ALA 301 Cb 0.05 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 3exf s ALA 301 CO 0.94 -0.74 0.31 -1.54 0.00 0.00 0.00 175.76 174.72 3exf s SER 302 N -2.92 6.34 0.15 0.00 1.04 -1.26 -3.87 113.70 113.17 3exf s SER 302 Ca 0.13 0.15 -0.17 0.00 0.48 0.00 0.00 55.95 56.54 3exf s SER 302 Cb 0.01 -1.90 0.05 0.00 0.10 0.00 0.00 66.02 64.28 3exf s SER 302 CO -0.01 0.01 1.74 1.62 0.98 0.00 0.00 173.24 177.58 3exf h VAL 303 N 1.50 0.86 0.00 5.02 3.04 -1.97 -1.67 116.25 123.02 3exf h VAL 303 Ca -0.49 -0.07 -0.00 0.00 -1.01 0.00 0.00 66.70 65.13 3exf h VAL 303 Cb 1.20 0.64 -0.00 0.00 -2.01 0.00 0.00 31.29 31.13 3exf h VAL 303 CO 0.66 0.04 -0.00 1.05 -1.01 0.00 0.00 177.57 178.31 3exf h GLU 304 N 0.20 0.00 0.05 4.17 9.09 -1.99 -1.59 114.58 124.51 3exf h GLU 304 Ca 0.15 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.30 3exf h GLU 304 Cb 0.16 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.23 3exf h GLU 304 CO -0.19 0.00 -1.27 0.93 0.05 0.00 0.00 179.01 178.53 3exf h GLU 305 N 0.00 0.11 -0.01 1.06 5.08 -1.72 -2.30 114.58 116.80 3exf h GLU 305 Ca -0.00 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 3exf h GLU 305 Cb 0.01 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3exf h GLU 305 CO 0.00 0.99 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.88 3exf h LEU 306 N 0.03 0.07 -1.75 1.33 3.38 -1.13 -1.91 115.31 115.33 3exf h LEU 306 Ca -0.13 -0.65 0.36 0.00 0.09 0.00 0.00 57.88 57.55 3exf h LEU 306 Cb 1.90 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 42.56 3exf h LEU 306 CO 0.14 0.71 0.86 0.11 0.09 0.00 0.00 178.44 180.35 3exf h LYS 307 N -0.57 0.11 -0.03 1.13 1.57 -1.32 1.03 116.57 118.49 3exf h LYS 307 Ca -0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3exf h LYS 307 Cb 0.70 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 3exf h LYS 307 CO 0.01 0.07 -0.04 0.93 -0.57 0.00 0.00 179.45 179.86 3exf h GLU 308 N 0.12 0.07 -0.85 3.15 5.08 -1.23 -1.45 114.58 119.47 3exf h GLU 308 Ca 0.65 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.95 3exf h GLU 308 Cb 2.27 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.48 3exf h GLU 308 CO -0.14 0.58 0.45 0.82 -1.00 0.00 0.00 179.01 179.72 3exf h ILE 309 N -0.43 1.25 -0.01 3.13 2.04 0.55 -0.48 117.51 123.56 3exf h ILE 309 Ca 0.00 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.24 3exf h ILE 309 Cb 0.57 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3exf h ILE 309 CO 0.01 0.29 -0.36 0.44 0.00 0.00 0.00 178.15 178.53 3exf h ASP 310 N 1.19 -1.11 -0.87 1.72 3.32 0.85 -0.19 116.42 121.33 3exf h ASP 310 Ca 0.30 0.13 0.20 0.00 0.02 0.00 0.00 57.03 57.67 3exf h ASP 310 Cb 0.05 0.42 -0.12 0.00 0.22 0.00 0.00 39.33 39.91 3exf h ASP 310 CO -0.05 -0.34 0.39 0.58 -1.72 0.00 0.00 179.24 178.10 3exf h VAL 311 N -0.44 0.54 -0.24 -1.35 2.07 -0.26 0.23 116.25 116.80 3exf h VAL 311 Ca 0.01 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.25 3exf h VAL 311 Cb 0.47 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3exf h VAL 311 CO -0.25 0.08 -0.40 -0.33 0.02 0.00 0.00 177.57 176.69 3exf h GLU 312 N 0.44 0.57 -0.08 1.57 5.08 -0.88 -1.18 114.58 120.10 3exf h GLU 312 Ca 0.53 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 3exf h GLU 312 Cb 0.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3exf h GLU 312 CO -0.49 0.87 -0.01 0.28 -1.00 0.00 0.00 179.01 178.66 3exf h VAL 313 N 0.47 0.93 -0.33 3.13 2.07 0.12 -2.14 116.25 120.51 3exf h VAL 313 Ca 0.04 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 3exf h VAL 313 Cb 0.90 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3exf h VAL 313 CO 0.08 0.00 0.18 0.03 0.02 0.00 0.00 177.57 177.88 3exf h ARG 314 N 0.01 0.35 -0.96 1.57 -0.00 -0.60 0.19 114.38 114.94 3exf h ARG 314 Ca 0.04 -0.02 0.15 0.00 -0.50 0.00 0.00 59.98 59.64 3exf h ARG 314 Cb 0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 29.97 29.85 3exf h ARG 314 CO -0.07 0.23 0.61 -0.22 0.00 0.00 0.00 179.97 180.52 3exf h LYS 315 N 0.37 0.79 0.00 0.04 1.63 -1.04 0.33 116.57 118.69 3exf h LYS 315 Ca 0.13 -0.05 -0.25 0.00 -0.85 0.00 0.00 60.65 59.63 3exf h LYS 315 Cb 0.02 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.43 3exf h LYS 315 CO -0.07 0.52 -1.68 -1.91 -3.45 0.00 0.00 179.45 172.85 3exf n GLU 316 N -4.63 0.63 -0.24 1.90 2.13 -0.43 -2.64 120.64 117.36 3exf n GLU 316 Ca 0.20 0.23 0.05 0.00 0.66 0.00 0.00 57.16 58.30 3exf n GLU 316 Cb 0.46 -1.77 0.30 0.00 0.27 0.00 0.00 31.44 30.70 3exf n GLU 316 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3exf h ILE 317 N 0.00 1.05 0.00 6.31 1.08 -0.45 -2.46 117.51 123.05 3exf h ILE 317 Ca -0.26 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 63.88 3exf h ILE 317 Cb 1.87 0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 35.70 3exf h ILE 317 CO 0.06 0.16 -0.08 -0.08 -0.69 0.00 0.00 178.15 177.52 3exf h GLU 318 N 0.89 0.00 0.00 2.37 4.57 -0.77 -0.00 114.58 121.65 3exf h GLU 318 Ca 0.34 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 58.19 3exf h GLU 318 Cb 0.20 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.73 3exf h GLU 318 CO -0.12 0.08 -2.08 -0.25 -1.18 0.00 0.00 179.01 175.47 3exf n ASP 319 N -3.21 0.54 -0.23 1.04 8.00 -1.08 -2.51 116.55 119.09 3exf n ASP 319 Ca 0.00 0.19 -0.04 0.00 0.71 0.00 0.00 54.79 55.65 3exf n ASP 319 Cb 0.35 0.40 0.07 0.00 -0.02 0.00 0.00 41.12 41.93 3exf n ASP 319 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3exf h ALA 320 N 0.93 0.86 0.41 2.24 0.00 -1.32 0.11 119.26 122.49 3exf h ALA 320 Ca -0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3exf h ALA 320 Cb 2.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3exf h ALA 320 CO 0.05 0.17 -0.20 0.00 0.00 0.00 0.00 179.25 179.27 3exf h ALA 321 N 1.28 -0.56 -0.50 0.00 0.00 -1.10 -1.32 119.26 117.07 3exf h ALA 321 Ca 0.26 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3exf h ALA 321 Cb 0.01 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3exf h ALA 321 CO -0.10 -0.79 0.14 0.37 0.00 0.00 0.00 179.25 178.87 3exf h GLN 322 N -0.60 0.29 0.09 0.00 5.75 -1.25 -1.39 115.11 118.00 3exf h GLN 322 Ca -0.06 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3exf h GLN 322 Cb 0.45 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 3exf h GLN 322 CO 0.09 0.19 -0.15 0.35 -2.65 0.00 0.00 178.83 176.67 3exf h PHE 323 N 0.30 -0.41 -1.13 3.99 3.57 -0.74 -2.98 116.94 119.53 3exf h PHE 323 Ca 0.25 0.01 0.34 0.00 3.53 0.00 0.00 57.97 62.10 3exf h PHE 323 Cb 0.30 0.17 -0.12 0.00 2.79 0.00 0.00 35.95 39.09 3exf h PHE 323 CO -0.19 -0.18 0.71 0.00 -2.23 0.00 0.00 178.31 176.41 3exf h ALA 324 N -1.40 2.33 0.00 2.41 0.00 -1.05 -1.88 119.26 119.68 3exf h ALA 324 Ca -0.01 0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 3exf h ALA 324 Cb 0.23 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3exf h ALA 324 CO -0.05 -0.88 -0.86 1.79 0.00 0.00 0.00 179.25 179.25 3exf h THR 325 N 0.26 1.60 -1.51 0.00 1.35 -1.20 -3.34 112.91 110.07 3exf h THR 325 Ca 0.72 -2.96 -0.65 0.00 -0.55 0.00 0.00 66.41 62.97 3exf h THR 325 Cb 1.95 2.60 -0.36 0.00 -1.73 0.00 0.00 68.15 70.61 3exf h THR 325 CO -0.43 0.84 0.02 0.00 -0.25 0.00 0.00 175.52 175.70 3exf n ALA 326 N -2.37 5.68 -3.24 6.62 0.00 -0.72 -4.97 120.51 121.50 3exf n ALA 326 Ca -0.00 -4.09 -0.31 0.00 0.00 0.00 0.00 53.44 49.03 3exf n ALA 326 Cb 0.83 -1.12 -0.17 0.00 0.00 0.00 0.00 19.45 18.99 3exf n ALA 326 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3exf s ASP 327 N -2.56 2.89 0.69 0.00 2.15 -1.12 -4.94 116.67 113.79 3exf s ASP 327 Ca 0.52 -0.52 -0.16 0.00 0.43 0.00 0.00 52.55 52.81 3exf s ASP 327 Cb 0.43 -1.31 0.01 0.00 -0.30 0.00 0.00 42.92 41.75 3exf s ASP 327 CO -0.21 0.14 1.23 -2.16 -0.17 0.00 0.00 175.17 174.00 3exf s PRO 328 N 0.37 2.39 1.10 4.34 0.04 -1.26 -4.70 135.00 137.29 3exf s PRO 328 Ca -0.18 1.83 -0.13 0.00 0.04 0.00 0.00 61.00 62.57 3exf s PRO 328 Cb -0.18 -1.85 0.24 0.00 0.04 0.00 0.00 34.50 32.75 3exf s PRO 328 CO 0.08 -1.66 1.06 -1.21 0.04 0.00 0.00 177.00 175.31 3exf s GLU 329 N -3.69 -0.37 0.15 4.56 2.02 -1.26 -2.54 118.70 117.57 3exf s GLU 329 Ca 0.77 0.58 -0.31 0.00 0.02 0.00 0.00 54.97 56.03 3exf s GLU 329 Cb -0.31 -1.64 -0.11 0.00 0.10 0.00 0.00 34.13 32.17 3exf s GLU 329 CO 0.42 -3.29 1.75 -2.14 0.02 0.00 0.00 175.26 172.02 3exf s PRO 330 N -4.77 4.15 0.41 0.39 0.02 -1.26 -4.52 135.00 129.42 3exf s PRO 330 Ca 0.67 2.55 -0.26 0.00 0.02 0.00 0.00 61.00 63.97 3exf s PRO 330 Cb -0.21 -3.39 -0.10 0.00 0.02 0.00 0.00 34.50 30.82 3exf s PRO 330 CO 0.61 -0.78 1.39 -0.35 -0.33 0.00 0.00 177.00 177.54 3exf n PRO 331 N 4.98 2.28 0.26 5.54 -0.04 -1.26 -4.85 135.00 141.91 3exf n PRO 331 Ca 0.17 0.81 0.12 0.00 -0.04 0.00 0.00 63.50 64.56 3exf n PRO 331 Cb 0.38 -2.54 0.73 0.00 -0.04 0.00 0.00 33.50 32.02 3exf n PRO 331 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3exf h LEU 332 N 2.46 0.00 -1.99 1.53 5.85 -2.04 -1.37 115.31 119.75 3exf h LEU 332 Ca -0.49 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 3exf h LEU 332 Cb 1.27 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 3exf h LEU 332 CO 0.62 0.11 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.40 3exf h GLU 333 N 0.00 0.00 -0.11 1.25 3.07 -1.98 -2.07 114.58 114.74 3exf h GLU 333 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3exf h GLU 333 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 3exf h GLU 333 CO 0.01 0.10 0.00 0.39 -1.40 0.00 0.00 179.01 178.12 3exf n GLU 334 N -3.65 1.27 0.16 2.33 1.02 -0.52 -3.97 120.64 117.28 3exf n GLU 334 Ca -0.02 -0.42 0.04 0.00 -0.02 0.00 0.00 57.16 56.75 3exf n GLU 334 Cb 0.22 -1.10 0.46 0.00 -0.02 0.00 0.00 31.44 31.00 3exf n GLU 334 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3exf h LEU 335 N 0.68 0.15 -0.26 -4.62 6.46 -1.53 -2.72 115.31 113.46 3exf h LEU 335 Ca 0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 3exf h LEU 335 Cb 0.16 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 3exf h LEU 335 CO 0.00 0.26 0.00 0.61 -0.62 0.00 0.00 178.44 178.69 3exf n GLY 336 N -1.08 -1.51 3.76 3.75 0.00 -1.24 -4.95 105.19 103.91 3exf n GLY 336 Ca -0.01 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3exf n GLY 336 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3exf s TYR 337 N -3.17 3.80 -0.50 1.61 1.51 -1.03 -3.94 117.35 115.62 3exf s TYR 337 Ca 0.08 1.82 -0.02 0.00 -1.01 0.00 0.00 57.07 57.95 3exf s TYR 337 Cb 0.12 -3.09 -0.02 0.00 -0.11 0.00 0.00 41.96 38.85 3exf s TYR 337 CO 0.50 0.04 0.44 0.72 -1.11 0.00 0.00 175.55 176.14 3exf n HIS 338 N 1.27 -1.10 -0.07 2.71 8.25 0.51 -4.92 115.22 121.87 3exf n HIS 338 Ca -0.01 0.41 -0.05 0.00 -0.26 0.00 0.00 57.72 57.80 3exf n HIS 338 Cb 0.46 -3.30 -0.02 0.00 1.12 0.00 0.00 29.99 28.25 3exf n HIS 338 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3exf n ILE 339 N -2.34 1.39 -4.05 1.59 5.41 -1.25 -4.94 119.36 115.15 3exf n ILE 339 Ca -0.06 0.21 -0.31 0.00 1.00 0.00 0.00 62.75 63.59 3exf n ILE 339 Cb 0.56 -2.35 -0.06 0.00 -0.71 0.00 0.00 39.64 37.07 3exf n ILE 339 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3exf s TYR 340 N -2.34 3.26 0.05 1.39 2.02 -1.26 -5.13 117.35 115.33 3exf s TYR 340 Ca -0.17 0.14 -0.03 0.00 -0.37 0.00 0.00 57.07 56.64 3exf s TYR 340 Cb 0.02 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 3exf s TYR 340 CO 0.26 0.54 0.24 -1.54 -1.57 0.00 0.00 175.55 173.48 3exf s SER 341 N -2.18 6.41 -1.15 2.29 1.04 -1.26 -3.98 113.70 114.87 3exf s SER 341 Ca 0.28 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.11 3exf s SER 341 Cb -0.12 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 63.98 3exf s SER 341 CO 0.20 0.19 0.00 -1.20 0.98 0.00 0.00 173.24 173.41 3exf n SER 342 N 0.59 -4.14 -4.65 7.02 7.64 -1.26 -5.02 113.62 113.79 3exf n SER 342 Ca -0.07 0.14 -0.25 0.00 1.01 0.00 0.00 58.87 59.70 3exf n SER 342 Cb 0.52 -3.04 -0.09 0.00 -1.01 0.00 0.00 64.21 60.60 3exf n SER 342 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3exf s ASP 343 N -2.66 4.19 0.93 6.43 1.11 -1.26 -5.08 116.67 120.32 3exf s ASP 343 Ca 0.00 -1.07 -0.15 0.00 0.18 0.00 0.00 52.55 51.51 3exf s ASP 343 Cb 0.00 -0.50 0.16 0.00 1.07 0.00 0.00 42.92 43.66 3exf s ASP 343 CO 0.00 -0.35 1.23 -2.84 1.18 0.00 0.00 175.17 174.40 3exf s PRO 344 N -3.76 0.92 0.41 8.23 0.02 -1.26 -4.35 135.00 135.20 3exf s PRO 344 Ca 0.36 -0.12 -0.16 0.00 0.02 0.00 0.00 61.00 61.10 3exf s PRO 344 Cb 0.02 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.61 3exf s PRO 344 CO 0.20 -2.27 0.85 -1.25 -0.33 0.00 0.00 177.00 174.20 3exf s PRO 345 N -5.66 4.01 0.06 5.54 0.05 -1.26 -4.71 135.00 133.02 3exf s PRO 345 Ca 0.69 0.81 0.01 0.00 0.05 0.00 0.00 61.00 62.56 3exf s PRO 345 Cb -0.08 -2.29 -0.00 0.00 0.05 0.00 0.00 34.50 32.17 3exf s PRO 345 CO 0.52 -0.02 0.05 1.97 0.05 0.00 0.00 177.00 179.56 3exf n PHE 346 N -0.89 -0.12 -4.28 0.56 -1.74 -1.03 -4.97 117.46 104.98 3exf n PHE 346 Ca 0.05 -0.47 -0.34 0.00 -0.56 0.00 0.00 57.45 56.12 3exf n PHE 346 Cb 0.54 0.04 -0.13 0.00 1.52 0.00 0.00 39.48 41.45 3exf n PHE 346 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 3exf s GLU 347 N -2.23 3.48 -0.19 3.97 -6.30 -1.26 -1.35 118.70 114.81 3exf s GLU 347 Ca 0.06 -0.60 -0.05 0.00 -2.50 0.00 0.00 54.97 51.89 3exf s GLU 347 Cb 0.00 -2.89 -0.02 0.00 0.00 0.00 0.00 34.13 31.22 3exf s GLU 347 CO 0.05 0.05 -0.01 0.08 0.02 0.00 0.00 175.26 175.44 3exf s VAL 348 N 0.84 3.84 0.09 3.70 1.01 0.53 -4.93 120.40 125.49 3exf s VAL 348 Ca -0.02 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.30 3exf s VAL 348 Cb -0.15 -2.73 -0.08 0.00 0.00 0.00 0.00 36.38 33.42 3exf s VAL 348 CO 0.01 0.44 1.58 -0.60 0.00 0.00 0.00 175.10 176.53 3exf s ARG 349 N 0.95 4.22 0.00 2.72 3.52 -1.26 -0.37 118.95 128.73 3exf s ARG 349 Ca 0.01 2.28 0.00 0.00 -0.13 0.00 0.00 55.73 57.89 3exf s ARG 349 Cb -0.14 -3.43 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 3exf s ARG 349 CO 0.01 -0.65 0.00 0.41 -0.81 0.00 0.00 175.30 174.26 3exf n GLY 350 N 3.84 0.98 0.09 8.12 0.00 0.13 -4.90 105.19 113.45 3exf n GLY 350 Ca 0.15 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 3exf n GLY 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3exf h ALA 351 N -1.90 0.51 -1.82 4.61 0.00 -1.96 -3.45 119.26 115.25 3exf h ALA 351 Ca 0.00 -0.74 -0.56 0.00 0.00 0.00 0.00 54.91 53.61 3exf h ALA 351 Cb 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 17.53 3exf h ALA 351 CO 0.00 1.02 -0.50 0.54 0.00 0.00 0.00 179.25 180.31 3exf s ASN 352 N -6.64 2.68 0.00 0.00 2.20 -1.26 -5.04 114.94 106.88 3exf s ASN 352 Ca 0.02 -1.73 0.05 0.00 -0.94 0.00 0.00 52.86 50.26 3exf s ASN 352 Cb 0.10 0.58 0.22 0.00 -2.00 0.00 0.00 41.25 40.15 3exf s ASN 352 CO 0.79 -0.99 1.14 0.00 -2.94 0.00 0.00 177.10 175.10 3exf n GLN 353 N -0.89 0.01 0.00 3.55 10.64 -1.26 -2.07 117.38 127.35 3exf n GLN 353 Ca -0.04 0.38 0.11 0.00 -1.83 0.00 0.00 57.00 55.63 3exf n GLN 353 Cb 0.64 -1.50 0.06 0.00 -0.86 0.00 0.00 30.24 28.58 3exf n GLN 353 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 3exf n TRP 354 N -1.46 0.00 -3.47 2.61 8.01 -1.26 -4.74 117.44 117.13 3exf n TRP 354 Ca 0.01 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.78 3exf n TRP 354 Cb 0.06 0.00 -0.09 0.00 -2.01 0.00 0.00 31.31 29.26 3exf n TRP 354 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 3exf s ILE 355 N -2.16 5.05 -0.10 -0.99 1.01 -0.88 -5.05 121.20 118.08 3exf s ILE 355 Ca 0.24 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 3exf s ILE 355 Cb 0.19 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 3exf s ILE 355 CO 0.40 -0.42 -0.08 -0.54 0.00 0.00 0.00 174.94 174.31 3exf s LYS 356 N 1.62 3.06 -0.09 2.79 3.01 -1.26 0.20 119.74 129.07 3exf s LYS 356 Ca 0.04 -0.57 0.00 0.00 -1.01 0.00 0.00 55.97 54.43 3exf s LYS 356 Cb -0.21 -2.66 -0.03 0.00 -1.01 0.00 0.00 37.83 33.92 3exf s LYS 356 CO 0.08 0.49 -0.08 -0.06 0.51 0.00 0.00 175.35 176.28 3exf s PHE 357 N -0.33 2.92 0.57 3.18 0.08 0.50 -4.91 117.98 119.98 3exf s PHE 357 Ca 0.05 -0.12 -0.19 0.00 0.12 0.00 0.00 56.93 56.79 3exf s PHE 357 Cb -0.13 -1.76 -0.05 0.00 -0.57 0.00 0.00 43.02 40.52 3exf s PHE 357 CO 0.02 0.20 1.13 0.21 -0.10 0.00 0.00 175.22 176.69 3exf s LYS 358 N -0.48 3.23 -0.08 0.44 2.20 -1.26 0.20 119.74 123.98 3exf s LYS 358 Ca 0.07 1.59 -0.03 0.00 -0.36 0.00 0.00 55.97 57.24 3exf s LYS 358 Cb -0.12 -1.99 0.05 0.00 -1.51 0.00 0.00 37.83 34.26 3exf s LYS 358 CO 0.02 -0.95 0.15 0.45 -0.36 0.00 0.00 175.35 174.66 3exf s SER 359 N -1.90 0.84 0.19 1.43 0.15 -0.46 -3.66 113.70 110.30 3exf s SER 359 Ca 0.72 0.27 0.10 0.00 0.70 0.00 0.00 55.95 57.74 3exf s SER 359 Cb -0.24 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 3exf s SER 359 CO 0.30 -0.25 -0.20 0.68 1.20 0.00 0.00 173.24 174.97 3exf s VAL 360 N 2.28 2.05 -1.43 4.45 -7.23 -1.26 -2.47 120.40 116.79 3exf s VAL 360 Ca 0.03 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 3exf s VAL 360 Cb -0.12 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.81 3exf s VAL 360 CO -0.06 -0.31 0.36 -1.20 -0.31 0.00 0.00 175.10 173.58