#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3exf s MET 0 N 0.00 3.84 0.32 1.57 1.00 -1.26 -5.06 119.30 119.71 3exf s MET 0 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 55.69 55.68 3exf s MET 0 Cb 0.00 -3.30 -0.01 0.00 0.00 0.00 0.00 34.83 31.52 3exf s MET 0 CO 0.00 0.54 0.45 -0.06 0.00 0.00 0.00 175.02 175.96 3exf s PHE 1 N -0.38 3.17 0.50 -0.03 0.08 -1.26 -5.05 117.98 115.00 3exf s PHE 1 Ca 0.14 -0.19 -0.07 0.00 0.12 0.00 0.00 56.93 56.93 3exf s PHE 1 Cb -0.12 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 3exf s PHE 1 CO 0.03 0.06 0.83 0.00 -0.10 0.00 0.00 175.22 176.04 3exf s ALA 2 N -2.15 3.34 -0.28 5.36 0.00 0.13 -4.98 121.76 123.18 3exf s ALA 2 Ca 0.43 -0.39 0.22 0.00 0.00 0.00 0.00 51.96 52.22 3exf s ALA 2 Cb -0.09 -2.70 0.08 0.00 0.00 0.00 0.00 23.12 20.41 3exf s ALA 2 CO 0.31 -0.38 1.20 -0.91 0.00 0.00 0.00 175.76 175.97 3exf h ASN 3 N 0.23 0.00 -5.06 0.00 -0.26 -1.95 -3.43 115.58 105.11 3exf h ASN 3 Ca -0.46 0.00 0.21 0.00 -0.56 0.00 0.00 56.30 55.48 3exf h ASN 3 Cb 1.20 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 38.33 3exf h ASN 3 CO 0.62 0.06 0.62 1.51 -1.06 0.00 0.00 177.43 179.18 3exf s ASP 4 N -5.66 -0.19 0.20 5.81 1.47 -1.26 -1.44 116.67 115.60 3exf s ASP 4 Ca 0.02 -0.16 0.00 0.00 1.18 0.00 0.00 52.55 53.58 3exf s ASP 4 Cb 0.08 0.32 -0.04 0.00 -0.34 0.00 0.00 42.92 42.94 3exf s ASP 4 CO 0.76 -0.57 0.09 0.00 0.68 0.00 0.00 175.17 176.13 3exf s ALA 5 N -2.89 1.31 -0.16 2.11 0.00 -0.76 -4.97 121.76 116.40 3exf s ALA 5 Ca 0.10 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.37 3exf s ALA 5 Cb 0.00 1.08 0.00 0.00 0.00 0.00 0.00 23.12 24.21 3exf s ALA 5 CO -0.03 -0.50 -0.17 0.99 0.00 0.00 0.00 175.76 176.05 3exf s THR 6 N -3.95 2.47 -0.05 0.00 2.01 -1.26 -1.44 115.64 113.43 3exf s THR 6 Ca 0.34 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.57 3exf s THR 6 Cb 0.07 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 3exf s THR 6 CO 0.10 0.52 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.96 3exf s PHE 7 N 0.99 2.49 0.21 4.92 0.40 -0.85 -4.99 117.98 121.15 3exf s PHE 7 Ca -0.02 -0.53 -0.30 0.00 -0.60 0.00 0.00 56.93 55.48 3exf s PHE 7 Cb -0.15 -1.60 -0.08 0.00 0.51 0.00 0.00 43.02 41.71 3exf s PHE 7 CO -0.04 -0.09 1.00 -1.21 0.70 0.00 0.00 175.22 175.59 3exf s GLU 8 N -0.36 4.74 0.24 0.44 2.02 -1.26 -2.34 118.70 122.17 3exf s GLU 8 Ca 0.03 1.58 0.07 0.00 0.02 0.00 0.00 54.97 56.67 3exf s GLU 8 Cb -0.12 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.79 3exf s GLU 8 CO 0.02 0.32 0.18 0.96 0.02 0.00 0.00 175.26 176.76 3exf s ILE 9 N -0.77 4.42 0.50 -1.63 -4.36 -0.61 -4.98 121.20 113.77 3exf s ILE 9 Ca 0.44 -1.37 -0.23 0.00 -0.26 0.00 0.00 60.65 59.23 3exf s ILE 9 Cb -0.27 -3.37 -0.06 0.00 1.25 0.00 0.00 42.46 40.01 3exf s ILE 9 CO 0.34 -0.31 1.37 -0.75 0.24 0.00 0.00 174.94 175.82 3exf s LYS 10 N -3.72 3.43 0.22 0.37 2.20 -1.26 -4.83 119.74 116.16 3exf s LYS 10 Ca 0.32 2.27 -0.19 0.00 -0.36 0.00 0.00 55.97 58.01 3exf s LYS 10 Cb -0.08 -2.44 -0.08 0.00 -1.51 0.00 0.00 37.83 33.71 3exf s LYS 10 CO 0.24 -0.97 0.72 -1.59 -0.36 0.00 0.00 175.35 173.39 3exf s LYS 11 N -2.69 4.23 0.32 4.03 -2.85 -1.26 -4.90 119.74 116.62 3exf s LYS 11 Ca 0.66 0.85 -0.19 0.00 -1.00 0.00 0.00 55.97 56.29 3exf s LYS 11 Cb -0.41 -2.86 -0.09 0.00 -2.06 0.00 0.00 37.83 32.41 3exf s LYS 11 CO 0.50 0.38 0.80 0.00 0.10 0.00 0.00 175.35 177.14 3exf s ASP 13 N -2.02 7.42 0.20 0.00 1.11 -1.14 -4.87 116.67 117.37 3exf s ASP 13 Ca 0.53 1.70 0.09 0.00 0.18 0.00 0.00 52.55 55.04 3exf s ASP 13 Cb -0.13 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.27 3exf s ASP 13 CO 0.18 -0.00 -0.07 -0.76 1.18 0.00 0.00 175.17 175.70 3exf s LEU 14 N -0.20 3.05 -0.12 1.23 1.43 -1.26 -1.31 118.68 121.49 3exf s LEU 14 Ca 0.43 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 3exf s LEU 14 Cb -0.23 -1.70 0.06 0.00 0.03 0.00 0.00 46.19 44.36 3exf s LEU 14 CO 0.28 0.08 0.22 -2.28 0.23 0.00 0.00 176.35 174.88 3exf s HIS 15 N -1.85 -0.31 -1.67 0.29 5.65 -0.48 -4.84 115.29 112.08 3exf s HIS 15 Ca 0.27 0.74 -0.11 0.00 0.25 0.00 0.00 55.06 56.21 3exf s HIS 15 Cb -0.08 -0.16 0.10 0.00 -1.18 0.00 0.00 32.58 31.26 3exf s HIS 15 CO 0.17 -0.36 0.36 0.54 -0.65 0.00 0.00 174.74 174.80 3exf n ARG 16 N 5.34 -1.45 -4.57 2.88 1.74 -1.26 -0.74 116.66 118.60 3exf n ARG 16 Ca -0.05 0.18 -0.24 0.00 -0.77 0.00 0.00 57.85 56.97 3exf n ARG 16 Cb 0.50 -4.28 -0.16 0.00 -1.02 0.00 0.00 32.46 27.49 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 -7.28 1.67 0.00 0.55 1.43 -1.26 -4.74 118.68 109.05 3exf s LEU 17 Ca 0.38 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 3exf s LEU 17 Cb -0.22 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.21 3exf s LEU 17 CO 0.99 0.04 0.00 -0.62 0.23 0.00 0.00 176.35 176.99 3exf n GLU 18 N 3.71 0.00 -2.10 1.70 -0.58 -1.26 -4.84 120.64 117.27 3exf n GLU 18 Ca -0.22 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.22 3exf n GLU 18 Cb 0.52 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.41 3exf n GLU 18 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3exf s GLU 19 N 0.00 3.35 0.00 3.49 -1.05 -1.26 -5.08 118.70 118.14 3exf s GLU 19 Ca 0.00 0.48 0.00 0.00 -0.15 0.00 0.00 54.97 55.30 3exf s GLU 19 Cb 0.00 -2.16 0.00 0.00 -0.44 0.00 0.00 34.13 31.53 3exf s GLU 19 CO 0.00 -0.61 0.00 0.41 0.95 0.00 0.00 175.26 176.01 3exf n GLY 20 N -2.68 4.01 3.74 -3.83 0.00 -1.26 -5.11 105.19 100.06 3exf n GLY 20 Ca 0.05 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.72 2.60 0.90 1.61 0.04 -1.26 -5.00 135.00 133.17 3exf s PRO 21 Ca 0.00 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 3exf s PRO 21 Cb 0.00 -1.89 0.13 0.00 0.04 0.00 0.00 34.50 32.78 3exf s PRO 21 CO 0.00 -1.48 1.10 -1.25 0.04 0.00 0.00 177.00 175.41 3exf s PRO 22 N -3.65 1.18 -0.00 0.56 0.04 -1.26 -4.80 135.00 127.07 3exf s PRO 22 Ca 0.75 1.15 0.16 0.00 0.04 0.00 0.00 61.00 63.10 3exf s PRO 22 Cb -0.29 -1.78 0.47 0.00 0.04 0.00 0.00 34.50 32.94 3exf s PRO 22 CO 0.39 -2.39 1.39 1.33 0.04 0.00 0.00 177.00 177.76 3exf n VAL 23 N -4.03 0.72 -3.34 -0.36 0.24 -1.26 -4.84 118.33 105.46 3exf n VAL 23 Ca 0.09 -0.71 -0.09 0.00 -2.04 0.00 0.00 64.34 61.58 3exf n VAL 23 Cb 0.53 0.34 -0.08 0.00 -1.47 0.00 0.00 33.84 33.17 3exf n VAL 23 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3exf s THR 24 N -1.31 -0.60 0.10 3.34 2.01 -1.26 -1.58 115.64 116.34 3exf s THR 24 Ca 0.35 -0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.28 3exf s THR 24 Cb 0.18 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 3exf s THR 24 CO 0.24 -0.16 0.01 0.28 -0.69 0.00 0.00 174.62 174.30 3exf s THR 25 N 2.54 4.07 0.35 -0.82 -1.32 -0.99 -4.95 115.64 114.52 3exf s THR 25 Ca 0.12 -1.01 -0.25 0.00 -1.21 0.00 0.00 61.69 59.34 3exf s THR 25 Cb -0.15 -2.96 -0.10 0.00 -1.51 0.00 0.00 72.50 67.78 3exf s THR 25 CO -0.19 0.09 0.95 -0.69 -2.21 0.00 0.00 174.62 172.57 3exf s VAL 26 N -1.37 4.21 -0.06 5.08 1.01 -1.26 -2.00 120.40 126.01 3exf s VAL 26 Ca 0.27 1.72 -0.01 0.00 0.00 0.00 0.00 61.98 63.96 3exf s VAL 26 Cb -0.11 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.39 3exf s VAL 26 CO 0.19 0.04 -0.01 -0.22 0.00 0.00 0.00 175.10 175.09 3exf s LEU 27 N -2.32 0.85 0.70 3.92 0.20 -0.52 -4.98 118.68 116.53 3exf s LEU 27 Ca 0.53 -0.10 -0.04 0.00 0.69 0.00 0.00 54.13 55.21 3exf s LEU 27 Cb -0.17 -0.45 0.09 0.00 -0.43 0.00 0.00 46.19 45.23 3exf s LEU 27 CO 0.22 -0.15 0.99 0.42 -0.29 0.00 0.00 176.35 177.54 3exf s THR 28 N 1.61 2.29 0.09 3.68 -4.23 -1.26 -1.83 115.64 116.00 3exf s THR 28 Ca -0.00 -0.41 -0.15 0.00 -1.18 0.00 0.00 61.69 59.94 3exf s THR 28 Cb -0.13 -2.88 -0.10 0.00 1.34 0.00 0.00 72.50 70.73 3exf s THR 28 CO -0.04 0.00 1.39 -0.09 -0.54 0.00 0.00 174.62 175.34 3exf h ARG 29 N -0.55 0.69 0.00 3.99 2.43 -1.52 -2.11 114.38 117.31 3exf h ARG 29 Ca -0.42 -0.40 -0.14 0.00 -0.81 0.00 0.00 59.98 58.22 3exf h ARG 29 Cb 1.29 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 3exf h ARG 29 CO 0.51 1.01 -0.67 0.93 -1.51 0.00 0.00 179.97 180.24 3exf h GLU 30 N 0.41 0.00 0.14 0.20 3.07 -1.94 0.25 114.58 116.71 3exf h GLU 30 Ca 0.03 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 3exf h GLU 30 Cb 0.93 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 3exf h GLU 30 CO 0.08 0.67 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.85 3exf h ASP 31 N 0.00 -0.15 -0.97 1.42 3.32 -1.96 -2.86 116.42 115.22 3exf h ASP 31 Ca -0.01 -0.36 0.14 0.00 0.02 0.00 0.00 57.03 56.82 3exf h ASP 31 Cb 1.29 0.04 -0.15 0.00 0.22 0.00 0.00 39.33 40.73 3exf h ASP 31 CO 0.09 0.32 -0.43 1.23 -1.72 0.00 0.00 179.24 178.73 3exf h GLY 32 N -0.68 -0.13 0.71 2.75 0.00 -0.68 0.43 103.07 105.48 3exf h GLY 32 Ca -0.02 0.58 0.04 0.00 0.00 0.00 0.00 47.33 47.93 3exf h GLY 32 CO 0.03 -0.15 0.20 1.41 0.00 0.00 0.00 176.54 178.03 3exf h LEU 33 N -0.01 0.27 0.21 3.11 -0.00 -0.98 -1.93 115.31 115.97 3exf h LEU 33 Ca 0.30 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 58.20 3exf h LEU 33 Cb 0.56 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 3exf h LEU 33 CO -0.96 0.19 -0.10 0.50 -0.00 0.00 0.00 178.44 178.07 3exf h LYS 34 N 0.40 -0.27 -0.98 1.13 3.64 -0.75 -1.75 116.57 117.99 3exf h LYS 34 Ca 0.20 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.79 3exf h LYS 34 Cb 0.13 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 31.92 3exf h LYS 34 CO -0.16 0.07 0.61 1.88 -2.27 0.00 0.00 179.45 179.59 3exf h TYR 35 N -0.67 0.93 0.07 1.91 0.05 -0.08 -0.79 116.97 118.40 3exf h TYR 35 Ca -0.03 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3exf h TYR 35 Cb 0.47 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.93 3exf h TYR 35 CO 0.04 0.22 -0.03 -0.92 -1.05 0.00 0.00 178.16 176.42 3exf h TYR 36 N 0.68 -0.09 -0.98 4.88 3.20 -1.19 -1.85 116.97 121.63 3exf h TYR 36 Ca 0.55 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.61 3exf h TYR 36 Cb 0.97 0.03 -0.11 0.00 1.54 0.00 0.00 36.73 39.15 3exf h TYR 36 CO -0.00 0.26 0.58 -0.09 -1.64 0.00 0.00 178.16 177.27 3exf h ARG 37 N -0.44 0.68 -0.11 1.82 2.43 -0.46 0.11 114.38 118.41 3exf h ARG 37 Ca -0.01 -0.04 -0.23 0.00 -0.81 0.00 0.00 59.98 58.89 3exf h ARG 37 Cb 0.38 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3exf h ARG 37 CO 0.02 0.45 -0.83 0.52 -1.51 0.00 0.00 179.97 178.62 3exf h MET 38 N 0.70 0.76 -0.25 0.20 2.86 -0.88 -1.20 114.93 117.13 3exf h MET 38 Ca 0.58 -0.67 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 3exf h MET 38 Cb 0.93 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 3exf h MET 38 CO -0.40 1.27 -0.20 0.52 1.06 0.00 0.00 176.91 179.15 3exf h MET 39 N 0.48 0.44 -0.06 1.72 2.86 -0.97 -1.97 114.93 117.43 3exf h MET 39 Ca -0.07 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.32 3exf h MET 39 Cb 1.46 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.07 3exf h MET 39 CO 0.17 0.62 -0.43 0.37 1.06 0.00 0.00 176.91 178.70 3exf h GLN 40 N 0.40 0.14 -0.10 1.72 5.75 -0.45 -0.29 115.11 122.28 3exf h GLN 40 Ca 0.07 -0.07 -0.19 0.00 -0.15 0.00 0.00 58.65 58.31 3exf h GLN 40 Cb 0.58 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.13 3exf h GLN 40 CO 0.04 0.55 -0.73 1.15 -2.65 0.00 0.00 178.83 177.18 3exf h THR 41 N 0.11 1.36 0.19 2.39 2.02 -0.75 -1.06 112.91 117.17 3exf h THR 41 Ca 0.01 -2.09 -0.01 0.00 0.77 0.00 0.00 66.41 65.09 3exf h THR 41 Cb 0.81 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 3exf h THR 41 CO 0.06 0.64 -0.09 0.58 0.37 0.00 0.00 175.52 177.08 3exf h VAL 42 N 0.33 0.89 -0.69 3.16 2.07 -0.69 -0.12 116.25 121.20 3exf h VAL 42 Ca -0.03 -0.85 0.12 0.00 0.82 0.00 0.00 66.70 66.75 3exf h VAL 42 Cb 1.32 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 32.37 3exf h VAL 42 CO 0.13 0.18 0.27 -0.09 0.02 0.00 0.00 177.57 178.09 3exf h ARG 43 N -0.71 0.43 -0.12 1.57 9.65 -1.10 0.20 114.38 124.30 3exf h ARG 43 Ca -0.03 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 58.77 3exf h ARG 43 Cb 0.49 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.98 3exf h ARG 43 CO 0.04 0.29 -0.16 0.00 2.80 0.00 0.00 179.97 182.94 3exf h ARG 44 N 0.45 0.31 -0.49 0.20 2.47 -1.06 -2.08 114.38 114.18 3exf h ARG 44 Ca 0.36 -0.18 0.09 0.00 -1.26 0.00 0.00 59.98 58.99 3exf h ARG 44 Cb 0.49 0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 28.73 3exf h ARG 44 CO -0.35 0.75 -0.36 1.98 0.56 0.00 0.00 179.97 182.54 3exf h MET 45 N -0.10 -0.22 -0.57 0.04 1.85 -0.64 -1.14 114.93 114.15 3exf h MET 45 Ca 0.01 0.02 0.11 0.00 -0.61 0.00 0.00 59.70 59.23 3exf h MET 45 Cb 0.71 0.05 -0.09 0.00 0.43 0.00 0.00 31.60 32.70 3exf h MET 45 CO 0.04 -0.15 0.08 0.93 -0.40 0.00 0.00 176.91 177.41 3exf h GLU 46 N -0.23 0.20 0.00 0.39 4.39 -0.47 0.13 114.58 118.99 3exf h GLU 46 Ca 0.19 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.82 3exf h GLU 46 Cb 0.55 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 3exf h GLU 46 CO -0.61 0.13 -0.28 -0.07 -1.16 0.00 0.00 179.01 177.02 3exf h LEU 47 N 0.21 0.00 -0.05 1.33 3.38 -0.87 -0.76 115.31 118.55 3exf h LEU 47 Ca 0.30 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.07 3exf h LEU 47 Cb 0.44 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.21 3exf h LEU 47 CO -0.41 0.28 -0.74 0.50 0.09 0.00 0.00 178.44 178.16 3exf h LYS 48 N 0.00 0.59 -0.94 1.13 1.63 -0.30 -2.19 116.57 116.49 3exf h LYS 48 Ca -0.00 -0.57 0.13 0.00 -0.85 0.00 0.00 60.65 59.36 3exf h LYS 48 Cb 0.76 0.15 -0.08 0.00 -0.60 0.00 0.00 32.23 32.46 3exf h LYS 48 CO 0.04 1.19 0.60 0.00 -3.45 0.00 0.00 179.45 177.82 3exf h ALA 49 N 0.42 1.67 0.68 5.00 0.00 -0.53 -0.63 119.26 125.87 3exf h ALA 49 Ca -0.08 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3exf h ALA 49 Cb 1.41 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.03 3exf h ALA 49 CO 0.15 0.09 -0.33 0.22 0.00 0.00 0.00 179.25 179.38 3exf h ASP 50 N 0.85 -0.78 -0.65 0.00 1.82 -0.97 -0.86 116.42 115.83 3exf h ASP 50 Ca 0.46 0.00 0.13 0.00 -0.39 0.00 0.00 57.03 57.23 3exf h ASP 50 Cb 0.58 0.20 -0.12 0.00 0.68 0.00 0.00 39.33 40.66 3exf h ASP 50 CO -0.23 -0.50 -0.24 -0.61 -1.61 0.00 0.00 179.24 176.06 3exf h GLN 51 N -1.02 -0.06 -0.36 0.28 4.15 -0.90 -0.77 115.11 116.43 3exf h GLN 51 Ca -0.09 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.24 3exf h GLN 51 Cb 0.73 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 3exf h GLN 51 CO 0.15 -0.04 -0.15 -0.07 -1.93 0.00 0.00 178.83 176.79 3exf h LEU 52 N -0.06 0.65 -0.56 -2.39 3.38 -0.95 -1.71 115.31 113.66 3exf h LEU 52 Ca 0.29 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3exf h LEU 52 Cb 0.53 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3exf h LEU 52 CO -0.70 0.81 0.14 0.22 0.09 0.00 0.00 178.44 179.00 3exf h TYR 53 N 0.59 0.94 0.00 1.13 5.03 -0.11 -1.69 116.97 122.86 3exf h TYR 53 Ca 0.10 -0.11 -0.02 0.00 2.58 0.00 0.00 58.73 61.28 3exf h TYR 53 Cb 0.59 -0.26 -0.00 0.00 1.55 0.00 0.00 36.73 38.61 3exf h TYR 53 CO 0.03 0.80 -0.10 0.87 -1.32 0.00 0.00 178.16 178.45 3exf h LYS 54 N 0.80 0.00 -0.18 1.82 1.57 -0.69 -1.70 116.57 118.18 3exf h LYS 54 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3exf h LYS 54 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3exf h LYS 54 CO 0.00 0.10 0.00 1.04 -0.57 0.00 0.00 179.45 180.02 3exf n GLN 55 N -3.85 1.83 -0.47 3.15 6.02 -0.69 -4.94 117.38 118.43 3exf n GLN 55 Ca -0.02 -1.25 0.00 0.00 -0.01 0.00 0.00 57.00 55.72 3exf n GLN 55 Cb 0.19 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.04 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 0.47 0.00 0.24 -1.09 4.01 -0.64 -4.88 118.16 116.28 3exf n LYS 56 Ca 0.17 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 58.11 3exf n LYS 56 Cb 0.37 -1.58 0.41 0.00 -0.51 0.00 0.00 35.03 33.72 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 0.00 -3.99 -0.18 2.04 -1.62 -3.42 117.51 110.34 3exf h ILE 57 Ca 0.00 -0.76 -0.69 0.00 1.00 0.00 0.00 64.86 64.41 3exf h ILE 57 Cb 0.00 1.76 -0.24 0.00 -0.74 0.00 0.00 36.82 37.60 3exf h ILE 57 CO 0.00 0.00 -0.77 -0.63 0.00 0.00 0.00 178.15 176.75 3exf s ILE 58 N -3.42 3.05 0.39 -0.67 1.01 -1.22 -4.41 121.20 115.94 3exf s ILE 58 Ca 0.04 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 60.02 3exf s ILE 58 Cb 0.07 -2.20 -0.06 0.00 0.01 0.00 0.00 42.46 40.28 3exf s ILE 58 CO 0.61 0.59 0.04 -0.13 0.00 0.00 0.00 174.94 176.05 3exf s ARG 59 N -0.66 1.88 6.57 2.79 0.52 -1.26 -4.66 118.95 124.12 3exf s ARG 59 Ca 0.10 -2.09 0.00 0.00 -0.52 0.00 0.00 55.73 53.22 3exf s ARG 59 Cb -0.11 -1.22 0.00 0.00 0.52 0.00 0.00 34.95 34.14 3exf s ARG 59 CO 0.01 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.54 3exf n GLY 60 N -0.90 2.09 3.87 -3.53 0.00 -1.26 -4.77 105.19 100.69 3exf n GLY 60 Ca -0.06 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 3.45 -0.43 1.61 0.08 -1.26 -4.96 117.98 116.46 3exf s PHE 61 Ca 0.00 1.02 0.04 0.00 0.12 0.00 0.00 56.93 58.11 3exf s PHE 61 Cb 0.00 -2.41 0.19 0.00 -0.57 0.00 0.00 43.02 40.23 3exf s PHE 61 CO 0.00 -0.01 0.78 0.00 -0.10 0.00 0.00 175.22 175.89 3exf s HIS 63 N 1.37 3.36 0.01 0.00 3.76 -1.26 -2.78 115.29 119.75 3exf s HIS 63 Ca 0.22 0.51 -0.07 0.00 -0.15 0.00 0.00 55.06 55.56 3exf s HIS 63 Cb 0.01 -2.45 -0.05 0.00 1.11 0.00 0.00 32.58 31.20 3exf s HIS 63 CO -0.08 0.02 0.28 -0.51 -0.85 0.00 0.00 174.74 173.60 3exf s LEU 64 N 1.22 4.37 -0.00 0.89 2.01 -1.26 -4.67 118.68 121.24 3exf s LEU 64 Ca 0.16 0.60 0.19 0.00 0.01 0.00 0.00 54.13 55.09 3exf s LEU 64 Cb -0.14 -2.67 -0.22 0.00 0.01 0.00 0.00 46.19 43.17 3exf s LEU 64 CO 0.07 0.26 0.78 0.00 1.01 0.00 0.00 176.35 178.47 3exf n ASP 66 N -1.51 0.00 0.00 0.00 2.03 -1.26 -0.21 116.55 115.60 3exf n ASP 66 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 3exf n ASP 66 Cb 0.32 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 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 0.00 2.17 1.52 0.27 0.00 -1.26 -1.07 105.19 106.82 3exf n GLY 67 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.23 2.28 0.13 1.61 6.02 0.70 -4.26 117.38 122.64 3exf n GLN 68 Ca 0.00 -3.55 0.01 0.00 -0.01 0.00 0.00 57.00 53.45 3exf n GLN 68 Cb 0.00 -1.73 0.01 0.00 1.02 0.00 0.00 30.24 29.54 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 1.66 0.00 -0.36 -1.09 3.07 -1.90 -3.12 114.58 112.84 3exf h GLU 69 Ca 0.11 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.04 3exf h GLU 69 Cb 1.34 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.19 3exf h GLU 69 CO 0.34 0.56 -0.03 0.00 -1.40 0.00 0.00 179.01 178.48 3exf h ALA 70 N 1.44 0.29 -0.25 3.43 0.00 -1.83 -2.53 119.26 119.81 3exf h ALA 70 Ca -0.01 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3exf h ALA 70 Cb 1.43 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 3exf h ALA 70 CO 0.07 -0.42 -0.15 0.00 0.00 0.00 0.00 179.25 178.75 3exf h VAL 73 N 0.00 0.70 -0.93 0.00 2.07 -1.43 0.39 116.25 117.05 3exf h VAL 73 Ca -0.01 -2.41 0.09 0.00 0.82 0.00 0.00 66.70 65.20 3exf h VAL 73 Cb 1.23 2.55 -0.12 0.00 -1.52 0.00 0.00 31.29 33.43 3exf h VAL 73 CO 0.09 0.87 -0.57 1.23 0.02 0.00 0.00 177.57 179.21 3exf h GLY 74 N 1.20 -0.78 0.74 2.17 0.00 -0.34 -0.70 103.07 105.36 3exf h GLY 74 Ca -0.40 0.77 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 3exf h GLY 74 CO 0.11 0.01 -0.07 1.41 0.00 0.00 0.00 176.54 178.00 3exf h LEU 75 N -0.04 0.30 -2.42 3.11 4.07 -0.60 -2.49 115.31 117.23 3exf h LEU 75 Ca 0.17 -0.41 0.01 0.00 0.08 0.00 0.00 57.88 57.72 3exf h LEU 75 Cb 0.45 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.10 3exf h LEU 75 CO -0.90 0.64 0.04 -0.08 -1.08 0.00 0.00 178.44 177.06 3exf h GLU 76 N -0.05 0.00 0.00 1.13 4.57 -0.77 -0.76 114.58 118.70 3exf h GLU 76 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3exf h GLU 76 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3exf h GLU 76 CO 0.02 0.00 -0.19 0.00 -1.18 0.00 0.00 179.01 177.66 3exf n ALA 77 N -2.32 2.52 0.93 2.92 0.00 -0.28 -3.31 120.51 120.97 3exf n ALA 77 Ca -0.02 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.41 3exf n ALA 77 Cb 0.13 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 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 1.35 -0.44 3.24 0.00 0.00 -0.31 -4.98 105.19 104.06 3exf n GLY 78 Ca 0.05 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.61 1.35 0.82 -0.61 -4.36 -1.11 -4.19 121.20 110.48 3exf s ILE 79 Ca 0.12 -1.71 -0.11 0.00 -0.26 0.00 0.00 60.65 58.69 3exf s ILE 79 Cb 0.16 -1.53 0.08 0.00 1.25 0.00 0.00 42.46 42.42 3exf s ILE 79 CO 0.68 -0.40 1.10 0.20 0.24 0.00 0.00 174.94 176.76 3exf s ASN 80 N -2.43 4.05 0.39 4.36 0.02 -1.26 -4.88 114.94 115.18 3exf s ASN 80 Ca 0.09 1.83 0.20 0.00 -1.02 0.00 0.00 52.86 53.97 3exf s ASN 80 Cb -0.05 -2.48 0.67 0.00 0.02 0.00 0.00 41.25 39.41 3exf s ASN 80 CO 0.03 -2.33 1.72 1.55 0.02 0.00 0.00 177.10 178.09 3exf h PRO 81 N -1.33 0.00 0.00 -0.60 0.13 -2.01 -2.71 132.00 125.48 3exf h PRO 81 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3exf h PRO 81 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3exf h PRO 81 CO 0.50 0.33 0.00 0.25 -0.23 0.00 0.00 178.00 178.85 3exf n THR 82 N -3.42 0.00 -1.96 1.56 -2.24 -1.26 -4.83 114.28 102.13 3exf n THR 82 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 3exf n THR 82 Cb 0.51 -0.41 0.06 0.00 -2.10 0.00 0.00 70.33 68.40 3exf n THR 82 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3exf n ASP 83 N -0.82 0.33 -4.18 3.42 8.00 -1.02 -4.83 116.55 117.44 3exf n ASP 83 Ca 0.13 -1.34 -0.19 0.00 0.71 0.00 0.00 54.79 54.10 3exf n ASP 83 Cb 0.06 -0.32 -0.12 0.00 -0.02 0.00 0.00 41.12 40.72 3exf n ASP 83 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3exf s HIS 84 N -1.54 1.26 -0.06 1.24 3.76 0.03 -4.83 115.29 115.13 3exf s HIS 84 Ca 0.28 -0.45 -0.05 0.00 -0.15 0.00 0.00 55.06 54.69 3exf s HIS 84 Cb -0.01 -0.71 0.03 0.00 1.11 0.00 0.00 32.58 32.99 3exf s HIS 84 CO 0.19 0.07 0.16 -1.17 -0.85 0.00 0.00 174.74 173.14 3exf s LEU 85 N -1.72 1.11 -0.09 0.89 0.20 -0.78 -0.34 118.68 117.95 3exf s LEU 85 Ca -0.01 0.32 -0.09 0.00 0.69 0.00 0.00 54.13 55.04 3exf s LEU 85 Cb -0.10 0.49 0.02 0.00 -0.43 0.00 0.00 46.19 46.18 3exf s LEU 85 CO 0.02 -0.09 0.25 -0.51 -0.29 0.00 0.00 176.35 175.73 3exf s ILE 86 N 0.53 0.01 0.33 6.68 2.07 -0.11 -1.68 121.20 129.03 3exf s ILE 86 Ca -0.04 -0.05 -0.06 0.00 -1.41 0.00 0.00 60.65 59.10 3exf s ILE 86 Cb -0.05 -0.38 0.01 0.00 0.13 0.00 0.00 42.46 42.17 3exf s ILE 86 CO -0.03 -0.03 0.52 0.28 -1.91 0.00 0.00 174.94 173.78 3exf s THR 87 N 0.01 0.00 0.00 4.00 -1.32 0.16 -1.70 115.64 116.80 3exf s THR 87 Ca -0.01 -1.48 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 3exf s THR 87 Cb -0.02 -2.61 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 3exf s THR 87 CO 0.01 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.42 3exf n ALA 88 N -0.53 0.00 -0.73 11.08 0.00 -1.26 -1.83 120.51 127.25 3exf n ALA 88 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3exf n ALA 88 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.22 0.00 0.18 -1.21 -0.51 117.16 113.41 3exf n TYR 89 Ca 0.00 -0.02 -0.37 0.00 1.88 0.00 0.00 57.90 59.39 3exf n TYR 89 Cb 0.00 -0.00 0.02 0.00 -0.38 0.00 0.00 39.34 38.98 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 -0.02 3.40 -0.84 -3.48 0.63 -1.26 -4.60 116.66 110.47 3exf n ARG 90 Ca 0.00 -4.00 0.07 0.00 -0.92 0.00 0.00 57.85 53.00 3exf n ARG 90 Cb 0.22 -2.30 0.39 0.00 0.45 0.00 0.00 32.46 31.22 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 -0.43 3.78 -0.29 5.13 0.00 -1.26 -4.52 120.51 122.93 3exf n ALA 91 Ca 0.48 -1.81 -0.05 0.00 0.00 0.00 0.00 53.44 52.07 3exf n ALA 91 Cb 0.33 -1.12 0.07 0.00 0.00 0.00 0.00 19.45 18.73 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 3.84 1.06 -0.44 0.00 3.86 -1.87 -2.71 115.15 118.91 3exf h HIS 92 Ca 0.00 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 3exf h HIS 92 Cb 1.88 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 29.99 3exf h HIS 92 CO 1.03 0.73 0.04 0.78 0.86 0.00 0.00 177.93 181.37 3exf h GLY 93 N 1.08 0.80 1.66 2.45 0.00 -1.96 -3.15 103.07 103.96 3exf h GLY 93 Ca 0.28 -0.56 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 3exf h GLY 93 CO -0.05 0.52 -0.41 0.74 0.00 0.00 0.00 176.54 177.34 3exf h PHE 94 N 0.59 0.45 -0.31 5.60 0.04 -1.81 -1.33 116.94 120.17 3exf h PHE 94 Ca 0.13 -0.13 -0.10 0.00 2.80 0.00 0.00 57.97 60.68 3exf h PHE 94 Cb 0.43 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 3exf h PHE 94 CO 0.03 0.73 -0.18 1.79 -0.60 0.00 0.00 178.31 180.08 3exf h THR 95 N 0.32 1.29 0.52 -1.55 1.35 -1.49 0.19 112.91 113.53 3exf h THR 95 Ca 0.03 -1.30 -0.02 0.00 -0.55 0.00 0.00 66.41 64.56 3exf h THR 95 Cb 0.86 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.74 3exf h THR 95 CO 0.07 0.42 -0.36 0.15 -0.25 0.00 0.00 175.52 175.55 3exf h PHE 96 N 0.42 -0.96 0.00 4.73 3.57 -1.49 -0.42 116.94 122.79 3exf h PHE 96 Ca 0.06 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3exf h PHE 96 Cb 0.72 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.81 3exf h PHE 96 CO 0.06 -0.51 0.15 0.25 -2.23 0.00 0.00 178.31 176.03 3exf n THR 97 N -4.59 1.34 0.24 4.41 -2.24 -0.51 -0.48 114.28 112.44 3exf n THR 97 Ca -0.10 0.53 0.07 0.00 -2.27 0.00 0.00 64.05 62.28 3exf n THR 97 Cb 0.35 -1.53 0.12 0.00 -2.10 0.00 0.00 70.33 67.18 3exf n THR 97 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3exf n ARG 98 N -1.43 1.84 0.00 -0.78 3.00 0.64 -4.93 116.66 115.00 3exf n ARG 98 Ca -0.00 -1.76 0.00 0.00 -0.00 0.00 0.00 57.85 56.09 3exf n ARG 98 Cb 0.16 -1.32 0.00 0.00 0.00 0.00 0.00 32.46 31.30 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 0.84 1.70 3.79 5.14 0.00 0.36 -4.66 105.19 112.35 3exf n GLY 99 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 3.55 0.24 0.99 1.02 -0.20 -4.98 118.68 119.31 3exf s LEU 100 Ca 0.00 1.96 0.00 0.00 0.02 0.00 0.00 54.13 56.11 3exf s LEU 100 Cb 0.00 -4.55 -0.04 0.00 0.02 0.00 0.00 46.19 41.62 3exf s LEU 100 CO 0.00 -1.29 0.43 -0.94 0.02 0.00 0.00 176.35 174.57 3exf s SER 101 N -2.44 6.36 0.19 2.29 1.04 -1.26 -4.35 113.70 115.53 3exf s SER 101 Ca 0.67 0.38 -0.12 0.00 0.48 0.00 0.00 55.95 57.36 3exf s SER 101 Cb -0.19 -2.00 0.12 0.00 0.10 0.00 0.00 66.02 64.05 3exf s SER 101 CO 0.35 -0.11 1.86 0.58 0.98 0.00 0.00 173.24 176.90 3exf h VAL 102 N 1.31 1.16 -0.32 5.02 2.07 -1.97 0.03 116.25 123.54 3exf h VAL 102 Ca -0.49 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 66.80 3exf h VAL 102 Cb 1.20 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 3exf h VAL 102 CO 0.65 0.16 -0.27 0.03 0.02 0.00 0.00 177.57 178.16 3exf h ARG 103 N 0.87 -0.23 -0.70 1.57 3.08 -1.95 0.12 114.38 117.15 3exf h ARG 103 Ca 0.24 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.35 3exf h ARG 103 Cb -0.08 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 3exf h ARG 103 CO -0.06 -0.15 0.42 0.93 -1.07 0.00 0.00 179.97 180.04 3exf h GLU 104 N -0.24 0.78 0.01 0.04 5.08 -1.47 0.73 114.58 119.51 3exf h GLU 104 Ca 0.16 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3exf h GLU 104 Cb 0.49 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3exf h GLU 104 CO -0.46 0.52 -0.01 0.82 -1.00 0.00 0.00 179.01 178.88 3exf h ILE 105 N 0.80 1.38 -0.13 3.13 2.04 -0.70 -2.63 117.51 121.41 3exf h ILE 105 Ca 0.29 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.95 3exf h ILE 105 Cb 0.09 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 3exf h ILE 105 CO -0.14 0.31 0.09 -0.07 0.00 0.00 0.00 178.15 178.34 3exf h LEU 106 N -0.53 0.15 -0.58 1.44 3.38 -0.60 -1.33 115.31 117.24 3exf h LEU 106 Ca -0.00 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3exf h LEU 106 Cb 0.52 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3exf h LEU 106 CO 0.00 0.11 -0.69 0.00 0.09 0.00 0.00 178.44 177.95 3exf h ALA 107 N 1.92 0.81 0.08 1.53 0.00 -0.86 -1.90 119.26 120.83 3exf h ALA 107 Ca 0.05 -0.62 -0.28 0.00 0.00 0.00 0.00 54.91 54.06 3exf h ALA 107 Cb -0.02 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.70 3exf h ALA 107 CO -0.01 0.83 -1.16 1.49 0.00 0.00 0.00 179.25 180.40 3exf h GLU 108 N 0.07 0.57 -0.57 0.00 4.57 -0.97 -0.41 114.58 117.82 3exf h GLU 108 Ca -0.01 -0.72 0.09 0.00 -1.18 0.00 0.00 59.36 57.54 3exf h GLU 108 Cb 1.23 0.23 -0.07 0.00 -0.16 0.00 0.00 28.75 29.98 3exf h GLU 108 CO 0.10 1.31 0.19 -0.07 -1.18 0.00 0.00 179.01 179.35 3exf h LEU 109 N 0.27 0.15 -0.10 1.64 3.38 -1.32 -1.31 115.31 118.02 3exf h LEU 109 Ca -0.15 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3exf h LEU 109 Cb 1.82 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.65 3exf h LEU 109 CO 0.22 0.10 -0.03 0.35 0.09 0.00 0.00 178.44 179.17 3exf n THR 110 N -5.03 0.00 -2.50 0.22 -2.24 -0.71 -4.47 114.28 99.55 3exf n THR 110 Ca 0.08 -0.03 -0.07 0.00 -2.27 0.00 0.00 64.05 61.76 3exf n THR 110 Cb 0.27 -0.36 0.04 0.00 -2.10 0.00 0.00 70.33 68.17 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 1.18 0.02 3.47 3.38 0.00 -0.41 -4.88 105.19 107.97 3exf n GLY 111 Ca 0.18 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.18 1.68 0.43 1.61 1.81 -0.30 -4.52 118.95 115.48 3exf s ARG 112 Ca 0.10 -1.79 0.12 0.00 -1.72 0.00 0.00 55.73 52.43 3exf s ARG 112 Cb -0.01 -1.70 1.00 0.00 -0.45 0.00 0.00 34.95 33.79 3exf s ARG 112 CO 0.34 0.28 2.02 1.57 -0.68 0.00 0.00 175.30 178.83 3exf h LYS 113 N 2.24 0.41 0.00 3.54 2.10 -1.50 -2.25 116.57 121.11 3exf h LYS 113 Ca -0.40 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 58.16 3exf h LYS 113 Cb 1.25 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.48 3exf h LYS 113 CO 0.62 0.27 -0.31 0.78 -2.00 0.00 0.00 179.45 178.81 3exf h GLY 114 N 0.42 0.00 -1.44 0.07 0.00 -1.90 -3.40 103.07 96.83 3exf h GLY 114 Ca 0.21 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 47.06 3exf h GLY 114 CO -0.05 0.00 -0.41 0.61 0.00 0.00 0.00 176.54 176.69 3exf n GLY 115 N 0.34 -1.85 0.24 4.60 0.00 -0.85 -4.76 105.19 102.90 3exf n GLY 115 Ca 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 3exf n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3exf n ALA 117 N -2.48 5.55 -2.17 0.00 0.00 -1.26 -4.89 120.51 115.27 3exf n ALA 117 Ca -0.00 -3.24 -0.09 0.00 0.00 0.00 0.00 53.44 50.11 3exf n ALA 117 Cb 0.35 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.03 -2.14 -0.30 0.00 4.76 -0.47 -0.35 118.16 118.64 3exf n LYS 118 Ca 0.54 0.45 0.00 0.00 -2.87 0.00 0.00 58.31 56.43 3exf n LYS 118 Cb 1.14 -4.92 0.00 0.00 -1.84 0.00 0.00 35.03 29.41 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 -0.58 0.65 0.10 0.72 0.00 -1.19 -4.55 105.19 100.34 3exf n GLY 119 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 3exf n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3exf h LYS 120 N 4.37 0.00 0.00 1.61 1.79 -1.04 -3.43 116.57 119.88 3exf h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3exf h LYS 120 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3exf h LYS 120 CO 0.00 0.37 -0.15 0.78 -1.08 0.00 0.00 179.45 179.37 3exf h GLY 121 N 3.63 0.00 0.00 3.86 0.00 -1.80 -3.51 103.07 105.25 3exf h GLY 121 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3exf h GLY 121 CO 0.05 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.20 3exf n GLY 122 N 1.77 -1.48 0.23 4.60 0.00 -1.26 -4.41 105.19 104.64 3exf n GLY 122 Ca -0.02 -2.07 -0.08 0.00 0.00 0.00 0.00 46.02 43.85 3exf n GLY 122 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3exf h SER 123 N 0.00 0.64 0.96 1.61 0.87 -1.84 -3.28 113.55 112.51 3exf h SER 123 Ca 0.00 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 3exf h SER 123 Cb 0.00 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 3exf h SER 123 CO 0.00 0.97 -0.16 0.23 -0.53 0.00 0.00 176.83 177.34 3exf n MET 124 N -4.03 0.07 -3.69 2.24 2.81 -1.26 -4.55 117.12 108.70 3exf n MET 124 Ca -0.02 0.04 -0.30 0.00 -1.81 0.00 0.00 57.70 55.62 3exf n MET 124 Cb 0.52 -1.57 -0.13 0.00 -0.71 0.00 0.00 33.22 31.33 3exf n MET 124 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 3exf s HIS 125 N -3.03 1.80 0.04 2.03 4.02 -1.24 -1.63 115.29 117.28 3exf s HIS 125 Ca 0.12 -2.18 0.02 0.00 1.02 0.00 0.00 55.06 54.04 3exf s HIS 125 Cb 0.17 -1.76 -0.02 0.00 -1.02 0.00 0.00 32.58 29.95 3exf s HIS 125 CO 0.59 -0.81 -0.07 -1.64 1.02 0.00 0.00 174.74 173.83 3exf s MET 126 N 0.74 0.49 -0.01 1.40 1.00 -1.26 -4.36 119.30 117.30 3exf s MET 126 Ca 0.16 -0.70 0.00 0.00 0.00 0.00 0.00 55.69 55.15 3exf s MET 126 Cb -0.23 -0.25 0.01 0.00 0.00 0.00 0.00 34.83 34.37 3exf s MET 126 CO -0.05 0.04 0.00 0.71 0.00 0.00 0.00 175.02 175.72 3exf s TYR 127 N -1.31 0.11 0.32 -0.03 1.51 -1.26 -3.35 117.35 113.33 3exf s TYR 127 Ca -0.10 0.02 0.05 0.00 -1.01 0.00 0.00 57.07 56.03 3exf s TYR 127 Cb -0.09 -0.15 -0.03 0.00 -0.11 0.00 0.00 41.96 41.57 3exf s TYR 127 CO 0.00 -0.04 0.21 0.00 -1.11 0.00 0.00 175.55 174.61 3exf s ALA 128 N 0.39 1.92 -0.44 3.71 0.00 -0.98 -5.01 121.76 121.35 3exf s ALA 128 Ca -0.03 -1.85 -0.42 0.00 0.00 0.00 0.00 51.96 49.66 3exf s ALA 128 Cb -0.05 1.31 -0.17 0.00 0.00 0.00 0.00 23.12 24.20 3exf s ALA 128 CO -0.01 -0.58 1.99 1.17 0.00 0.00 0.00 175.76 178.33 3exf n LYS 129 N -0.60 0.38 -1.55 0.00 4.81 -1.26 -0.23 118.16 119.71 3exf n LYS 129 Ca 0.04 0.12 -0.14 0.00 -0.87 0.00 0.00 58.31 57.45 3exf n LYS 129 Cb 0.64 -1.78 -0.05 0.00 0.02 0.00 0.00 35.03 33.86 3exf n LYS 129 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3exf n ASN 130 N 7.01 -4.65 -3.78 3.14 3.02 -1.26 -4.95 115.26 113.79 3exf n ASN 130 Ca 0.44 0.29 -0.28 0.00 -0.03 0.00 0.00 54.58 54.99 3exf n ASN 130 Cb 0.03 -3.46 -0.16 0.00 -0.61 0.00 0.00 39.78 35.58 3exf n ASN 130 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3exf s PHE 131 N -2.56 1.38 -0.37 3.10 5.36 0.68 -1.86 117.98 123.71 3exf s PHE 131 Ca 0.00 -1.12 0.03 0.00 -0.96 0.00 0.00 56.93 54.88 3exf s PHE 131 Cb 0.00 -1.20 0.51 0.00 -0.34 0.00 0.00 43.02 42.00 3exf s PHE 131 CO 0.00 -0.67 1.76 0.66 -1.46 0.00 0.00 175.22 175.51 3exf n TYR 132 N 4.95 2.45 -4.13 10.12 4.02 -0.67 -2.31 117.16 131.59 3exf n TYR 132 Ca -0.09 -1.67 0.00 0.00 -0.01 0.00 0.00 57.90 56.13 3exf n TYR 132 Cb 0.46 -0.85 0.00 0.00 -0.02 0.00 0.00 39.34 38.93 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 -0.77 -1.83 0.00 2.72 0.00 -1.21 -4.67 105.19 99.43 3exf n GLY 133 Ca 0.48 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 0.73 3.15 -0.02 0.00 -0.36 0.35 105.19 109.05 3exf n GLY 134 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.31 -0.07 0.00 1.61 0.01 0.34 -4.47 114.94 111.04 3exf s ASN 135 Ca 0.00 0.79 0.23 0.00 -0.71 0.00 0.00 52.86 53.16 3exf s ASN 135 Cb 0.00 0.94 0.19 0.00 0.41 0.00 0.00 41.25 42.79 3exf s ASN 135 CO 0.00 -0.22 1.23 0.61 -1.51 0.00 0.00 177.10 177.20 3exf n GLY 136 N 5.10 0.90 3.35 0.66 0.00 -1.26 -3.30 105.19 110.63 3exf n GLY 136 Ca -0.11 -0.65 -0.45 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.87 5.09 -0.40 -0.61 -1.09 -1.26 -5.00 121.20 116.06 3exf s ILE 137 Ca 0.27 -1.25 -0.43 0.00 -2.23 0.00 0.00 60.65 57.01 3exf s ILE 137 Cb 0.19 -4.35 -0.17 0.00 -1.58 0.00 0.00 42.46 36.55 3exf s ILE 137 CO 0.28 -0.89 1.77 0.52 -1.23 0.00 0.00 174.94 175.39 3exf n VAL 138 N 5.34 0.14 0.00 2.92 0.31 -1.26 -1.49 118.33 124.29 3exf n VAL 138 Ca -0.12 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3exf n VAL 138 Cb 0.41 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 3exf n VAL 138 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3exf n GLY 139 N 4.67 3.01 0.31 2.92 0.00 -1.26 -4.89 105.19 109.95 3exf n GLY 139 Ca 0.33 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.59 3exf n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3exf n ALA 140 N 0.00 0.23 0.33 4.61 0.00 -0.56 0.50 120.51 125.63 3exf n ALA 140 Ca 0.00 0.93 0.18 0.00 0.00 0.00 0.00 53.44 54.55 3exf n ALA 140 Cb 0.00 -0.57 0.95 0.00 0.00 0.00 0.00 19.45 19.82 3exf n ALA 140 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3exf h GLN 141 N 0.00 0.00 0.01 0.00 -0.00 -1.90 -2.98 115.11 110.24 3exf h GLN 141 Ca 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 59.07 3exf h GLN 141 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.15 3exf h GLN 141 CO -0.87 0.00 -0.00 0.28 -0.00 0.00 0.00 178.83 178.24 3exf h VAL 142 N 0.00 1.49 -0.75 1.86 2.07 -0.27 -2.06 116.25 118.58 3exf h VAL 142 Ca 0.00 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 65.99 3exf h VAL 142 Cb 0.42 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 3exf h VAL 142 CO 0.00 0.39 0.49 -0.65 0.02 0.00 0.00 177.57 177.83 3exf h PRO 143 N -0.67 1.00 -0.53 1.57 0.11 -1.65 -1.81 132.00 130.01 3exf h PRO 143 Ca -0.00 -0.06 0.10 0.00 0.11 0.00 0.00 66.00 66.14 3exf h PRO 143 Cb 0.65 -0.22 -0.08 0.00 0.11 0.00 0.00 31.00 31.46 3exf h PRO 143 CO 0.00 0.67 0.08 -0.07 -0.21 0.00 0.00 178.00 178.47 3exf h LEU 144 N 1.02 -0.06 -1.09 2.35 3.38 -1.53 -1.17 115.31 118.22 3exf h LEU 144 Ca 0.28 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.30 3exf h LEU 144 Cb -0.11 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3exf h LEU 144 CO -0.06 -0.01 0.08 1.23 0.09 0.00 0.00 178.44 179.78 3exf h GLY 145 N 0.21 0.78 2.00 0.83 0.00 -1.12 0.12 103.07 105.89 3exf h GLY 145 Ca 0.27 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 3exf h GLY 145 CO -0.38 0.43 -0.14 0.00 0.00 0.00 0.00 176.54 176.45 3exf h ALA 146 N 1.39 1.38 0.16 3.60 0.00 -0.35 -1.88 119.26 123.56 3exf h ALA 146 Ca 0.15 -0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.62 3exf h ALA 146 Cb 0.31 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3exf h ALA 146 CO 0.00 0.17 -1.54 0.78 0.00 0.00 0.00 179.25 178.67 3exf h GLY 147 N 0.77 0.38 0.77 0.00 0.00 -0.41 -0.88 103.07 103.70 3exf h GLY 147 Ca -0.00 -0.98 0.09 0.00 0.00 0.00 0.00 47.33 46.43 3exf h GLY 147 CO 0.02 0.86 0.58 -2.22 0.00 0.00 0.00 176.54 175.77 3exf h ILE 148 N 0.09 1.00 -0.10 2.60 2.04 -0.76 0.31 117.51 122.69 3exf h ILE 148 Ca -0.26 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 3exf h ILE 148 Cb 2.06 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3exf h ILE 148 CO 0.19 0.17 0.01 0.00 0.00 0.00 0.00 178.15 178.52 3exf h ALA 149 N 1.54 0.14 -0.37 1.87 0.00 -1.31 -2.05 119.26 119.09 3exf h ALA 149 Ca 0.40 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.21 3exf h ALA 149 Cb 0.34 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3exf h ALA 149 CO -0.17 -0.20 0.01 1.25 0.00 0.00 0.00 179.25 180.15 3exf h LEU 150 N -0.08 -0.13 -0.93 0.00 5.85 0.06 -1.60 115.31 118.48 3exf h LEU 150 Ca 0.03 0.08 0.25 0.00 0.84 0.00 0.00 57.88 59.08 3exf h LEU 150 Cb 0.32 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.36 3exf h LEU 150 CO 0.00 -0.03 0.42 0.00 -0.34 0.00 0.00 178.44 178.49 3exf h ALA 151 N 1.31 1.56 0.28 1.25 0.00 -0.29 0.77 119.26 124.14 3exf h ALA 151 Ca 0.18 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3exf h ALA 151 Cb 0.24 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3exf h ALA 151 CO -0.29 -0.41 -0.14 0.00 0.00 0.00 0.00 179.25 178.41 3exf h LYS 153 N -0.49 0.41 -0.67 0.00 3.64 -0.88 -1.30 116.57 117.29 3exf h LYS 153 Ca -0.04 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3exf h LYS 153 Cb 0.37 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3exf h LYS 153 CO 0.06 0.27 0.37 -0.92 -2.27 0.00 0.00 179.45 176.97 3exf h TYR 154 N 0.42 0.91 -0.06 1.91 5.03 -0.64 -1.75 116.97 122.80 3exf h TYR 154 Ca 0.39 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.68 3exf h TYR 154 Cb 0.57 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.56 3exf h TYR 154 CO -0.17 0.64 0.00 0.09 -1.32 0.00 0.00 178.16 177.40 3exf n ASN 155 N -4.53 0.88 -4.27 -2.11 3.02 -0.22 -4.95 115.26 103.08 3exf n ASN 155 Ca 0.05 -1.46 -0.31 0.00 -0.03 0.00 0.00 54.58 52.84 3exf n ASN 155 Cb 0.08 -0.03 -0.08 0.00 -0.61 0.00 0.00 39.78 39.14 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 1.03 -0.16 0.51 7.41 0.00 -0.54 -4.88 105.19 108.56 3exf n GLY 156 Ca 0.18 0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.52 0.98 -0.78 1.61 4.76 -1.21 -4.97 118.16 114.03 3exf n LYS 157 Ca -0.30 -1.34 0.00 0.00 -2.87 0.00 0.00 58.31 53.80 3exf n LYS 157 Cb 0.68 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 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 0.66 0.00 -4.68 4.39 9.92 -1.26 -5.02 116.55 120.56 3exf n ASP 158 Ca 0.08 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 54.04 3exf n ASP 158 Cb 0.32 -0.38 0.16 0.00 -0.64 0.00 0.00 41.12 40.58 3exf n ASP 158 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3exf s GLU 159 N -0.14 0.82 0.03 -1.24 2.02 -1.26 -4.81 118.70 114.12 3exf s GLU 159 Ca 0.00 0.78 -0.02 0.00 0.02 0.00 0.00 54.97 55.75 3exf s GLU 159 Cb 0.00 -1.76 -0.02 0.00 0.10 0.00 0.00 34.13 32.45 3exf s GLU 159 CO 0.00 -2.53 0.01 0.14 0.02 0.00 0.00 175.26 172.90 3exf s VAL 160 N -2.88 0.13 -0.06 2.63 -7.23 -1.26 -4.82 120.40 106.91 3exf s VAL 160 Ca 0.65 -1.06 0.04 0.00 -1.81 0.00 0.00 61.98 59.80 3exf s VAL 160 Cb -0.19 -0.60 -0.02 0.00 0.56 0.00 0.00 36.38 36.13 3exf s VAL 160 CO 0.58 -0.58 -0.17 0.00 -0.31 0.00 0.00 175.10 174.62 3exf s LEU 162 N -0.52 3.05 -0.41 0.00 1.02 0.54 -0.17 118.68 122.19 3exf s LEU 162 Ca 0.07 -0.28 0.02 0.00 0.02 0.00 0.00 54.13 53.96 3exf s LEU 162 Cb -0.12 -1.76 0.12 0.00 0.02 0.00 0.00 46.19 44.46 3exf s LEU 162 CO 0.01 0.06 0.17 -0.89 0.02 0.00 0.00 176.35 175.73 3exf s THR 163 N 1.01 1.67 -0.01 5.49 2.01 -0.42 -0.93 115.64 124.45 3exf s THR 163 Ca 0.01 -2.40 -0.20 0.00 0.31 0.00 0.00 61.69 59.41 3exf s THR 163 Cb -0.15 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 3exf s THR 163 CO 0.01 -0.77 0.57 -0.76 -0.69 0.00 0.00 174.62 172.98 3exf s LEU 164 N 0.62 4.41 0.24 4.42 1.02 -0.69 -1.74 118.68 126.97 3exf s LEU 164 Ca 0.14 1.11 -0.00 0.00 0.02 0.00 0.00 54.13 55.41 3exf s LEU 164 Cb -0.22 -2.88 -0.03 0.00 0.02 0.00 0.00 46.19 43.08 3exf s LEU 164 CO -0.07 0.11 0.22 -0.72 0.02 0.00 0.00 176.35 175.91 3exf s TYR 165 N -0.17 1.21 0.48 0.29 1.13 -0.32 -3.98 117.35 116.00 3exf s TYR 165 Ca 0.30 -1.38 0.06 0.00 -1.41 0.00 0.00 57.07 54.64 3exf s TYR 165 Cb -0.18 -0.49 -0.00 0.00 -1.10 0.00 0.00 41.96 40.19 3exf s TYR 165 CO 0.16 -0.76 0.27 0.20 -2.51 0.00 0.00 175.55 172.91 3exf s GLY 166 N -3.20 2.43 0.18 5.49 0.00 -1.26 0.19 107.32 111.15 3exf s GLY 166 Ca 0.37 -1.48 -0.18 0.00 0.00 0.00 0.00 44.72 43.43 3exf s GLY 166 CO 0.16 -1.94 1.63 1.29 0.00 0.00 0.00 173.10 174.23 3exf h ASP 167 N 1.09 -0.70 -0.29 1.64 -0.00 -1.83 -2.57 116.42 113.77 3exf h ASP 167 Ca -0.40 0.17 0.07 0.00 -0.00 0.00 0.00 57.03 56.86 3exf h ASP 167 Cb 1.28 0.38 -0.08 0.00 -0.00 0.00 0.00 39.33 40.92 3exf h ASP 167 CO 0.64 -0.23 -0.29 1.23 -0.00 0.00 0.00 179.24 180.59 3exf h GLY 168 N -0.11 -0.24 2.00 7.15 0.00 -1.91 -0.71 103.07 109.25 3exf h GLY 168 Ca 0.22 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.91 3exf h GLY 168 CO -0.52 -0.21 0.00 0.00 0.00 0.00 0.00 176.54 175.81 3exf n ALA 169 N -2.89 1.47 0.44 3.60 0.00 -1.00 -2.94 120.51 119.18 3exf n ALA 169 Ca -0.00 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.63 3exf n ALA 169 Cb 0.32 -1.31 0.48 0.00 0.00 0.00 0.00 19.45 18.93 3exf n ALA 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3exf n ALA 170 N -1.70 1.77 -0.03 0.00 0.00 -0.27 -1.25 120.51 119.03 3exf n ALA 170 Ca 0.01 0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.48 3exf n ALA 170 Cb 0.16 -1.41 0.15 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.26 3.39 -4.77 0.00 3.02 -1.15 -4.93 115.26 108.55 3exf n ASN 171 Ca 0.03 -2.63 -0.39 0.00 -0.03 0.00 0.00 54.58 51.56 3exf n ASN 171 Cb 0.27 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.75 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 -1.78 4.34 0.11 3.52 -1.52 -0.38 -4.98 119.66 118.98 3exf s GLN 172 Ca 0.28 0.83 -0.24 0.00 -1.95 0.00 0.00 55.36 54.28 3exf s GLN 172 Cb 0.22 -3.31 -0.08 0.00 -0.22 0.00 0.00 33.01 29.63 3exf s GLN 172 CO 0.07 0.44 1.68 0.78 -0.25 0.00 0.00 175.29 178.00 3exf h GLY 173 N 5.25 -0.19 1.13 3.09 0.00 -1.91 -2.56 103.07 107.87 3exf h GLY 173 Ca -0.46 0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.13 3exf h GLY 173 CO 0.68 -0.14 0.35 0.06 0.00 0.00 0.00 176.54 177.48 3exf h GLN 174 N -0.25 0.00 0.04 4.80 3.07 -1.95 0.66 115.11 121.48 3exf h GLN 174 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.78 3exf h GLN 174 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.87 3exf h GLN 174 CO -0.13 0.00 -0.02 0.82 0.09 0.00 0.00 178.83 179.59 3exf h ILE 175 N 0.00 0.99 -0.77 1.86 2.04 -1.77 0.18 117.51 120.04 3exf h ILE 175 Ca 0.15 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 3exf h ILE 175 Cb 0.84 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 3exf h ILE 175 CO -0.00 0.02 0.43 -0.26 0.00 0.00 0.00 178.15 178.34 3exf h PHE 176 N -0.09 1.04 0.23 1.37 -1.00 -0.97 0.18 116.94 117.70 3exf h PHE 176 Ca -0.01 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.76 3exf h PHE 176 Cb 0.08 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.27 3exf h PHE 176 CO -0.06 0.72 -0.47 0.93 -1.61 0.00 0.00 178.31 177.82 3exf h GLU 177 N 1.07 -0.73 -0.66 1.51 5.08 -1.22 -2.27 114.58 117.36 3exf h GLU 177 Ca 0.27 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.79 3exf h GLU 177 Cb 0.02 0.17 -0.12 0.00 0.50 0.00 0.00 28.75 29.31 3exf h GLU 177 CO -0.05 -0.49 -0.38 0.00 -1.00 0.00 0.00 179.01 177.10 3exf h ALA 178 N -0.78 -0.11 -0.16 3.43 0.00 0.30 -2.16 119.26 119.77 3exf h ALA 178 Ca -0.02 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3exf h ALA 178 Cb 0.72 0.89 -0.06 0.00 0.00 0.00 0.00 17.79 19.34 3exf h ALA 178 CO -0.18 -0.72 -0.45 1.88 0.00 0.00 0.00 179.25 179.77 3exf h TYR 179 N -0.15 -1.34 -0.87 0.00 0.05 -0.53 0.82 116.97 114.94 3exf h TYR 179 Ca 0.23 0.05 0.22 0.00 0.05 0.00 0.00 58.73 59.29 3exf h TYR 179 Cb 0.56 0.61 -0.15 0.00 1.01 0.00 0.00 36.73 38.75 3exf h TYR 179 CO -0.71 -0.44 0.06 -0.97 -1.05 0.00 0.00 178.16 175.06 3exf h ASN 180 N -0.44 -0.32 -0.07 3.88 -1.24 -0.96 0.11 115.58 116.54 3exf h ASN 180 Ca 0.03 0.23 -0.02 0.00 0.71 0.00 0.00 56.30 57.25 3exf h ASN 180 Cb 0.54 0.38 -0.00 0.00 0.73 0.00 0.00 38.32 39.97 3exf h ASN 180 CO -0.39 -0.23 -0.05 0.24 -1.29 0.00 0.00 177.43 175.71 3exf h MET 181 N 0.10 0.16 -0.61 6.67 2.86 -0.35 0.13 114.93 123.89 3exf h MET 181 Ca 0.51 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 58.10 3exf h MET 181 Cb 0.99 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 3exf h MET 181 CO -0.75 0.55 0.40 0.00 1.06 0.00 0.00 176.91 178.17 3exf h ALA 182 N 0.60 1.63 0.36 6.32 0.00 -0.47 0.12 119.26 127.83 3exf h ALA 182 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3exf h ALA 182 Cb 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3exf h ALA 182 CO 0.01 0.31 -0.18 0.00 0.00 0.00 0.00 179.25 179.40 3exf h ALA 183 N 1.64 -0.49 -0.36 0.00 0.00 -0.52 0.03 119.26 119.55 3exf h ALA 183 Ca 0.24 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3exf h ALA 183 Cb 0.02 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 3exf h ALA 183 CO -0.06 -0.59 -0.08 1.25 0.00 0.00 0.00 179.25 179.77 3exf h LEU 184 N -0.86 -0.32 -0.58 0.00 5.85 -0.53 -2.30 115.31 116.56 3exf h LEU 184 Ca -0.05 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3exf h LEU 184 Cb 0.54 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.78 3exf h LEU 184 CO 0.08 -0.11 -0.11 0.79 -0.34 0.00 0.00 178.44 178.75 3exf n TRP 185 N -5.28 0.00 -3.61 1.25 8.01 0.41 -4.93 117.44 113.29 3exf n TRP 185 Ca 0.01 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 56.00 3exf n TRP 185 Cb 0.20 -0.08 0.06 0.00 -2.01 0.00 0.00 31.31 29.48 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 -0.42 -5.98 -2.49 -0.99 5.02 -0.04 -4.97 118.16 108.29 3exf n LYS 186 Ca 0.16 0.73 -0.41 0.00 -2.02 0.00 0.00 58.31 56.77 3exf n LYS 186 Cb 0.32 -5.55 -0.04 0.00 -0.02 0.00 0.00 35.03 29.73 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 -6.69 4.52 -1.16 -0.35 1.43 -0.99 -4.32 118.68 111.11 3exf s LEU 187 Ca 0.14 2.18 -0.22 0.00 -1.03 0.00 0.00 54.13 55.20 3exf s LEU 187 Cb -0.06 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 3exf s LEU 187 CO 0.77 -0.19 1.83 -2.16 0.23 0.00 0.00 176.35 176.83 3exf s PRO 188 N -0.82 3.06 -0.19 1.29 0.04 -1.26 -2.53 135.00 134.58 3exf s PRO 188 Ca 0.47 -1.29 -0.04 0.00 0.04 0.00 0.00 61.00 60.18 3exf s PRO 188 Cb -0.31 -5.32 0.08 0.00 0.04 0.00 0.00 34.50 29.00 3exf s PRO 188 CO 0.38 -3.21 0.18 0.00 0.04 0.00 0.00 177.00 174.39 3exf s ILE 190 N 2.28 4.65 -0.17 0.00 1.09 0.76 -2.37 121.20 127.45 3exf s ILE 190 Ca 0.05 0.40 -0.25 0.00 -1.10 0.00 0.00 60.65 59.75 3exf s ILE 190 Cb -0.16 -4.32 -0.01 0.00 -1.06 0.00 0.00 42.46 36.91 3exf s ILE 190 CO -0.11 -0.73 0.84 -0.36 -0.10 0.00 0.00 174.94 174.48 3exf s PHE 191 N 3.29 3.42 -0.08 3.97 0.08 0.21 -1.30 117.98 127.57 3exf s PHE 191 Ca 0.29 1.27 0.04 0.00 0.12 0.00 0.00 56.93 58.66 3exf s PHE 191 Cb -0.12 -3.02 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 3exf s PHE 191 CO 0.22 -0.24 -0.21 0.42 -0.10 0.00 0.00 175.22 175.32 3exf s ILE 192 N 2.14 1.79 -0.39 0.64 1.01 -0.71 -0.20 121.20 125.48 3exf s ILE 192 Ca 0.39 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 60.06 3exf s ILE 192 Cb -0.17 -1.55 0.06 0.00 0.01 0.00 0.00 42.46 40.81 3exf s ILE 192 CO 0.13 0.50 0.22 0.00 0.00 0.00 0.00 174.94 175.78 3exf s GLU 194 N 1.46 3.88 -0.59 0.00 2.12 0.50 -0.58 118.70 125.49 3exf s GLU 194 Ca 0.02 -1.95 -0.22 0.00 0.36 0.00 0.00 54.97 53.18 3exf s GLU 194 Cb -0.21 -5.29 0.06 0.00 0.26 0.00 0.00 34.13 28.95 3exf s GLU 194 CO 0.04 -2.05 0.88 1.21 -0.54 0.00 0.00 175.26 174.80 3exf s ASN 195 N 3.92 6.24 -0.31 -1.70 2.47 0.53 -3.09 114.94 122.99 3exf s ASN 195 Ca 0.46 -0.79 0.09 0.00 0.42 0.00 0.00 52.86 53.04 3exf s ASN 195 Cb 0.00 -2.40 0.58 0.00 -1.45 0.00 0.00 41.25 37.99 3exf s ASN 195 CO -0.00 -1.26 1.60 -0.46 -3.72 0.00 0.00 177.10 173.26 3exf n ASN 196 N 7.28 3.30 0.00 -4.21 6.94 -1.26 -1.33 115.26 125.99 3exf n ASN 196 Ca -0.03 -3.54 0.00 0.00 -0.02 0.00 0.00 54.58 50.99 3exf n ASN 196 Cb 0.46 -0.68 0.00 0.00 -2.36 0.00 0.00 39.78 37.20 3exf n ASN 196 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3exf n ARG 197 N -0.90 0.00 -4.55 -3.83 1.74 -1.26 -4.44 116.66 103.42 3exf n ARG 197 Ca 0.38 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.25 3exf n ARG 197 Cb 1.20 -1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 31.07 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 -1.93 1.11 -0.60 -1.55 2.02 -1.26 -2.89 117.35 112.25 3exf s TYR 198 Ca 0.00 -0.21 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 3exf s TYR 198 Cb 0.00 -0.71 0.15 0.00 -0.40 0.00 0.00 41.96 40.99 3exf s TYR 198 CO 0.00 -0.02 0.36 0.20 -1.57 0.00 0.00 175.55 174.53 3exf s GLY 199 N -0.29 2.62 0.00 0.71 0.00 -0.87 -4.45 107.32 105.04 3exf s GLY 199 Ca 0.05 -3.46 0.00 0.00 0.00 0.00 0.00 44.72 41.31 3exf s GLY 199 CO -0.00 1.05 0.00 -0.13 0.00 0.00 0.00 173.10 174.01 3exf n MET 200 N 2.79 0.00 0.04 2.90 0.00 -1.26 -2.38 117.12 119.21 3exf n MET 200 Ca 0.10 0.00 0.12 0.00 -0.00 0.00 0.00 57.70 57.92 3exf n MET 200 Cb 0.34 0.00 0.21 0.00 0.00 0.00 0.00 33.22 33.77 3exf n MET 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3exf n GLY 201 N 0.00 -1.36 3.52 -5.12 0.00 -1.26 -4.81 105.19 96.16 3exf n GLY 201 Ca 0.00 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 3exf n GLY 201 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3exf s THR 202 N -3.11 4.50 0.25 2.61 2.01 -1.00 -4.82 115.64 116.08 3exf s THR 202 Ca 0.08 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.08 3exf s THR 202 Cb 0.15 -4.46 -0.09 0.00 0.01 0.00 0.00 72.50 68.11 3exf s THR 202 CO 0.71 -0.97 1.13 0.00 -0.69 0.00 0.00 174.62 174.80 3exf s ALA 203 N 3.66 3.42 0.00 7.40 0.00 -1.26 -2.05 121.76 132.93 3exf s ALA 203 Ca 0.30 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.18 3exf s ALA 203 Cb -0.13 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3exf s ALA 203 CO 0.20 -0.24 0.00 1.33 0.00 0.00 0.00 175.76 177.05 3exf n VAL 204 N 1.54 0.00 -0.22 0.00 0.24 -1.14 -0.75 118.33 117.99 3exf n VAL 204 Ca 0.00 0.00 0.22 0.00 -2.04 0.00 0.00 64.34 62.52 3exf n VAL 204 Cb 0.45 0.00 0.39 0.00 -1.47 0.00 0.00 33.84 33.21 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 -0.12 -0.04 0.06 7.34 4.71 -1.26 -0.25 120.64 131.07 3exf n GLU 205 Ca 0.00 0.89 0.12 0.00 -0.01 0.00 0.00 57.16 58.16 3exf n GLU 205 Cb 0.00 -1.62 0.29 0.00 -1.01 0.00 0.00 31.44 29.10 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 -4.40 0.21 -0.05 3.49 1.74 0.07 -4.39 116.66 113.33 3exf n ARG 206 Ca 0.25 0.10 -0.09 0.00 -0.77 0.00 0.00 57.85 57.34 3exf n ARG 206 Cb 0.87 -1.67 -0.04 0.00 -1.02 0.00 0.00 32.46 30.60 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 -1.74 2.18 -2.36 7.54 0.00 0.65 -4.98 120.51 121.81 3exf n ALA 207 Ca 0.05 -0.39 -0.37 0.00 0.00 0.00 0.00 53.44 52.73 3exf n ALA 207 Cb 0.41 0.35 -0.06 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.18 3.61 -1.38 0.00 0.00 -0.28 -4.93 121.76 116.60 3exf s ALA 208 Ca -0.13 -0.09 0.30 0.00 0.00 0.00 0.00 51.96 52.04 3exf s ALA 208 Cb 0.05 -2.53 1.37 0.00 0.00 0.00 0.00 23.12 22.00 3exf s ALA 208 CO 0.18 0.44 1.97 0.00 0.00 0.00 0.00 175.76 178.35 3exf n ALA 209 N 1.41 2.56 -3.31 0.00 0.00 -1.26 -4.57 120.51 115.34 3exf n ALA 209 Ca -0.09 -0.17 -0.08 0.00 0.00 0.00 0.00 53.44 53.10 3exf n ALA 209 Cb 0.51 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 3exf n ALA 209 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3exf s SER 210 N -2.64 0.10 -0.01 0.00 0.15 -1.26 -5.01 113.70 105.03 3exf s SER 210 Ca 0.25 0.05 0.08 0.00 0.70 0.00 0.00 55.95 57.04 3exf s SER 210 Cb 0.20 1.23 0.24 0.00 -1.71 0.00 0.00 66.02 65.98 3exf s SER 210 CO 0.49 -0.32 1.17 0.35 1.20 0.00 0.00 173.24 176.13 3exf n THR 211 N 5.37 0.40 -1.51 6.45 -2.24 -1.26 -4.43 114.28 117.06 3exf n THR 211 Ca -0.02 -0.36 -0.40 0.00 -2.27 0.00 0.00 64.05 61.00 3exf n THR 211 Cb 0.50 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 3exf n THR 211 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3exf n ASP 212 N 0.27 6.54 -0.17 3.42 8.00 -1.26 -4.77 116.55 128.58 3exf n ASP 212 Ca 0.09 -2.70 0.17 0.00 0.71 0.00 0.00 54.79 53.06 3exf n ASP 212 Cb 0.25 -1.60 0.52 0.00 -0.02 0.00 0.00 41.12 40.27 3exf n ASP 212 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 3exf h TYR 213 N 5.46 0.46 0.00 1.24 0.05 -2.01 0.14 116.97 122.30 3exf h TYR 213 Ca 0.74 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.53 3exf h TYR 213 Cb 0.44 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.04 3exf h TYR 213 CO 1.69 0.17 0.00 2.48 -1.05 0.00 0.00 178.16 181.45 3exf n TYR 214 N -4.47 0.00 0.51 4.88 4.11 -1.26 -0.61 117.16 120.32 3exf n TYR 214 Ca 0.15 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 58.10 3exf n TYR 214 Cb 0.57 -0.27 -0.04 0.00 -0.00 0.00 0.00 39.34 39.61 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 -1.27 2.78 -0.28 -3.48 5.02 0.49 -4.06 118.16 117.36 3exf n LYS 215 Ca 0.08 -0.28 -0.06 0.00 -2.02 0.00 0.00 58.31 56.03 3exf n LYS 215 Cb 0.12 -1.07 0.06 0.00 -0.02 0.00 0.00 35.03 34.12 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 0.56 1.09 -0.57 1.97 2.47 -0.76 -1.27 114.38 117.86 3exf h ARG 216 Ca 0.00 -0.16 0.08 0.00 -1.26 0.00 0.00 59.98 58.65 3exf h ARG 216 Cb 0.32 -0.20 -0.07 0.00 -1.65 0.00 0.00 29.97 28.37 3exf h ARG 216 CO 0.00 0.84 0.21 0.78 0.56 0.00 0.00 179.97 182.36 3exf h GLY 217 N 1.06 0.78 0.00 0.04 0.00 -1.83 -3.46 103.07 99.66 3exf h GLY 217 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3exf h GLY 217 CO -0.03 -0.01 0.00 1.34 0.00 0.00 0.00 176.54 177.84 3exf n ASP 218 N -5.00 0.00 0.14 0.19 2.03 -0.48 -4.00 116.55 109.43 3exf n ASP 218 Ca 0.07 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.51 3exf n ASP 218 Cb 0.24 0.00 0.36 0.00 -0.72 0.00 0.00 41.12 41.00 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 -3.54 -0.67 -5.15 -1.88 -3.43 116.94 102.26 3exf h PHE 219 Ca 0.00 0.00 -0.61 0.00 -0.20 0.00 0.00 57.97 57.16 3exf h PHE 219 Cb 0.00 0.00 -0.12 0.00 0.22 0.00 0.00 35.95 36.05 3exf h PHE 219 CO 0.00 0.00 -0.11 0.42 -2.00 0.00 0.00 178.31 176.62 3exf s ILE 220 N -3.16 5.13 0.83 0.88 1.01 -1.26 -5.06 121.20 119.59 3exf s ILE 220 Ca 0.09 0.80 -0.14 0.00 0.00 0.00 0.00 60.65 61.40 3exf s ILE 220 Cb 0.10 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.80 3exf s ILE 220 CO 0.60 0.17 0.59 -0.81 0.00 0.00 0.00 174.94 175.49 3exf n PRO 221 N 4.98 0.03 -3.80 2.79 -0.04 -1.26 -4.73 135.00 132.97 3exf n PRO 221 Ca -0.06 0.06 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 3exf n PRO 221 Cb 0.50 -1.94 -0.08 0.00 -0.04 0.00 0.00 33.50 31.94 3exf n PRO 221 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3exf s GLY 222 N -1.81 -0.03 0.01 0.55 0.00 0.08 -1.47 107.32 104.65 3exf s GLY 222 Ca 0.63 -0.21 -0.00 0.00 0.00 0.00 0.00 44.72 45.13 3exf s GLY 222 CO 0.61 -0.41 -0.01 0.48 0.00 0.00 0.00 173.10 173.77 3exf s LEU 223 N -2.22 2.09 -0.12 0.66 2.34 0.23 -1.38 118.68 120.27 3exf s LEU 223 Ca -0.03 -0.24 -0.02 0.00 0.06 0.00 0.00 54.13 53.90 3exf s LEU 223 Cb 0.00 0.08 -0.03 0.00 -0.56 0.00 0.00 46.19 45.68 3exf s LEU 223 CO -0.05 -0.16 -0.05 -0.60 -1.06 0.00 0.00 176.35 174.44 3exf s ARG 224 N -0.74 3.34 0.02 1.48 3.52 -0.43 -0.17 118.95 125.97 3exf s ARG 224 Ca -0.08 -0.52 0.04 0.00 -0.13 0.00 0.00 55.73 55.03 3exf s ARG 224 Cb -0.05 -2.80 -0.02 0.00 -1.56 0.00 0.00 34.95 30.52 3exf s ARG 224 CO -0.00 0.41 -0.11 0.08 -0.81 0.00 0.00 175.30 174.86 3exf s VAL 225 N -0.09 0.86 -0.45 7.11 1.01 0.14 -2.87 120.40 126.11 3exf s VAL 225 Ca 0.02 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 60.97 3exf s VAL 225 Cb -0.13 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 3exf s VAL 225 CO 0.03 0.04 1.62 -0.62 0.00 0.00 0.00 175.10 176.16 3exf s ASP 226 N -0.80 5.95 -0.10 3.32 -1.08 -1.26 -1.92 116.67 120.78 3exf s ASP 226 Ca 0.01 0.79 0.08 0.00 -0.52 0.00 0.00 52.55 52.91 3exf s ASP 226 Cb -0.06 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 39.26 3exf s ASP 226 CO 0.00 -1.75 1.17 0.61 0.52 0.00 0.00 175.17 175.72 3exf n GLY 227 N 5.34 1.95 0.00 2.66 0.00 0.44 -3.19 105.19 112.39 3exf n GLY 227 Ca 0.18 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.38 6.11 -3.12 1.61 2.81 -1.25 -4.17 117.12 119.48 3exf n MET 228 Ca 0.14 0.00 -0.45 0.00 -1.81 0.00 0.00 57.70 55.57 3exf n MET 228 Cb 0.65 -0.47 -0.02 0.00 -0.71 0.00 0.00 33.22 32.67 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 -0.93 6.68 0.49 7.83 -1.08 -1.19 -4.02 116.67 124.44 3exf s ASP 229 Ca 0.00 -2.33 0.39 0.00 -0.52 0.00 0.00 52.55 50.09 3exf s ASP 229 Cb 0.00 -2.31 1.58 0.00 -1.46 0.00 0.00 42.92 40.74 3exf s ASP 229 CO 0.00 -0.83 1.59 -0.29 0.52 0.00 0.00 175.17 176.15 3exf h ILE 230 N 5.33 0.03 -0.22 4.11 2.10 -1.84 -2.51 117.51 124.51 3exf h ILE 230 Ca 0.12 -0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.96 3exf h ILE 230 Cb 1.03 0.01 -0.00 0.00 -1.09 0.00 0.00 36.82 36.77 3exf h ILE 230 CO 0.94 0.00 -0.21 -0.07 -1.08 0.00 0.00 178.15 177.73 3exf h LEU 231 N 0.01 0.56 -0.00 2.19 3.38 -1.92 -1.91 115.31 117.63 3exf h LEU 231 Ca 0.89 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 58.40 3exf h LEU 231 Cb 3.15 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 43.72 3exf h LEU 231 CO -0.29 0.92 -0.26 0.00 0.09 0.00 0.00 178.44 178.90 3exf n VAL 233 N -3.93 -0.43 -0.03 0.00 0.31 -1.20 0.27 118.33 113.32 3exf n VAL 233 Ca -0.04 2.23 -0.12 0.00 -0.01 0.00 0.00 64.34 66.41 3exf n VAL 233 Cb 0.19 -3.07 -0.07 0.00 -0.91 0.00 0.00 33.84 29.99 3exf n VAL 233 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3exf h ARG 234 N 0.00 0.20 -0.95 5.55 2.43 -1.25 0.17 114.38 120.53 3exf h ARG 234 Ca 0.44 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.57 3exf h ARG 234 Cb 0.68 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 3exf h ARG 234 CO -0.99 0.43 0.63 1.49 -1.51 0.00 0.00 179.97 180.02 3exf h GLU 235 N -0.06 1.24 0.06 0.20 4.57 0.19 -1.92 114.58 118.86 3exf h GLU 235 Ca 0.03 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3exf h GLU 235 Cb 0.33 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 3exf h GLU 235 CO 0.00 0.82 -0.03 0.00 -1.18 0.00 0.00 179.01 178.63 3exf h ALA 236 N 1.36 -0.08 -0.63 2.92 0.00 0.39 -2.54 119.26 120.68 3exf h ALA 236 Ca 0.35 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.20 3exf h ALA 236 Cb -0.12 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.57 3exf h ALA 236 CO -0.08 -0.36 -0.21 1.15 0.00 0.00 0.00 179.25 179.75 3exf h THR 237 N -0.45 0.29 -0.95 0.00 2.02 -0.64 0.54 112.91 113.72 3exf h THR 237 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3exf h THR 237 Cb 0.40 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 3exf h THR 237 CO 0.01 0.00 0.60 -0.09 0.37 0.00 0.00 175.52 176.41 3exf h ARG 238 N -0.05 1.27 -0.10 6.66 9.65 -1.33 0.36 114.38 130.84 3exf h ARG 238 Ca 0.29 -0.10 -0.02 0.00 -1.10 0.00 0.00 59.98 59.06 3exf h ARG 238 Cb 0.50 -0.28 -0.00 0.00 -1.39 0.00 0.00 29.97 28.80 3exf h ARG 238 CO -0.67 0.86 -0.01 0.35 2.80 0.00 0.00 179.97 183.30 3exf h PHE 239 N 1.30 0.21 -0.17 2.20 3.04 -0.89 -2.54 116.94 120.09 3exf h PHE 239 Ca 0.34 -0.04 -0.11 0.00 3.98 0.00 0.00 57.97 62.14 3exf h PHE 239 Cb -0.10 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 3exf h PHE 239 CO 0.00 0.47 -0.38 0.00 -2.02 0.00 0.00 178.31 176.38 3exf h ALA 240 N 0.71 1.04 -0.14 2.41 0.00 0.13 -1.69 119.26 121.72 3exf h ALA 240 Ca 0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3exf h ALA 240 Cb 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3exf h ALA 240 CO 0.01 0.60 0.03 0.00 0.00 0.00 0.00 179.25 179.88 3exf h ALA 241 N 1.29 0.19 -0.51 0.00 0.00 -0.40 -1.13 119.26 118.69 3exf h ALA 241 Ca 0.03 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.89 3exf h ALA 241 Cb 0.81 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 3exf h ALA 241 CO 0.07 -0.15 -0.17 0.00 0.00 0.00 0.00 179.25 178.99 3exf h ALA 242 N 0.81 0.26 -0.56 0.00 0.00 -0.97 0.51 119.26 119.31 3exf h ALA 242 Ca 0.04 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.21 3exf h ALA 242 Cb 0.29 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 3exf h ALA 242 CO 0.00 -0.49 -0.54 -0.92 0.00 0.00 0.00 179.25 177.30 3exf h TYR 243 N -0.05 -1.67 -0.30 0.00 5.03 -1.34 0.13 116.97 118.77 3exf h TYR 243 Ca 0.24 0.09 -0.17 0.00 2.58 0.00 0.00 58.73 61.48 3exf h TYR 243 Cb 0.43 0.80 -0.00 0.00 1.55 0.00 0.00 36.73 39.51 3exf h TYR 243 CO -0.47 -0.46 -0.49 0.00 -1.32 0.00 0.00 178.16 175.42 3exf h ARG 245 N 0.65 0.13 -0.98 0.00 3.08 -0.09 -3.02 114.38 114.14 3exf h ARG 245 Ca 0.03 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3exf h ARG 245 Cb 1.08 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 3exf h ARG 245 CO 0.11 0.08 0.04 -1.13 -1.07 0.00 0.00 179.97 178.00 3exf n SER 246 N -4.47 2.38 0.00 7.04 3.41 0.44 -4.85 113.62 117.56 3exf n SER 246 Ca 0.04 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.50 3exf n SER 246 Cb 0.29 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 0.20 0.32 0.00 5.00 0.00 -1.14 -4.87 105.19 104.70 3exf n GLY 247 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 0.09 0.00 1.61 5.02 -1.24 -4.99 118.16 116.65 3exf n LYS 248 Ca 0.00 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 3exf n LYS 248 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 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 -0.84 -0.27 3.91 0.72 0.00 -1.26 -5.01 105.19 102.44 3exf n GLY 249 Ca 0.03 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 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 3.58 0.21 1.61 0.04 -1.05 -4.30 135.00 135.09 3exf s PRO 250 Ca 0.00 -0.12 0.02 0.00 0.04 0.00 0.00 61.00 60.94 3exf s PRO 250 Cb 0.00 -2.69 -0.05 0.00 0.04 0.00 0.00 34.50 31.80 3exf s PRO 250 CO 0.00 0.25 0.03 -1.50 0.04 0.00 0.00 177.00 175.82 3exf s ILE 251 N -2.07 0.68 -0.07 0.56 2.07 -1.00 -4.52 121.20 116.85 3exf s ILE 251 Ca 0.42 -1.99 0.03 0.00 -1.41 0.00 0.00 60.65 57.70 3exf s ILE 251 Cb -0.11 -2.30 0.01 0.00 0.13 0.00 0.00 42.46 40.19 3exf s ILE 251 CO 0.31 -0.31 -0.16 -0.22 -1.91 0.00 0.00 174.94 172.65 3exf s LEU 252 N -3.23 1.79 -0.16 8.50 0.20 -0.54 -0.62 118.68 124.62 3exf s LEU 252 Ca 0.29 -0.36 0.00 0.00 0.69 0.00 0.00 54.13 54.75 3exf s LEU 252 Cb 0.07 -0.97 0.03 0.00 -0.43 0.00 0.00 46.19 44.89 3exf s LEU 252 CO 0.07 0.08 -0.10 -0.32 -0.29 0.00 0.00 176.35 175.80 3exf s MET 253 N 0.47 1.88 -0.21 1.98 1.75 0.72 -0.60 119.30 125.28 3exf s MET 253 Ca -0.13 -0.59 -0.15 0.00 -1.25 0.00 0.00 55.69 53.57 3exf s MET 253 Cb -0.15 -2.10 -0.04 0.00 2.84 0.00 0.00 34.83 35.38 3exf s MET 253 CO 0.04 -0.35 0.35 -2.00 -0.65 0.00 0.00 175.02 172.41 3exf s GLU 254 N 1.53 4.15 -0.27 4.11 2.12 0.76 -0.59 118.70 130.50 3exf s GLU 254 Ca 0.02 0.10 -0.08 0.00 0.36 0.00 0.00 54.97 55.36 3exf s GLU 254 Cb -0.14 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 3exf s GLU 254 CO -0.09 -0.03 0.11 -0.51 -0.54 0.00 0.00 175.26 174.20 3exf s LEU 255 N 1.28 3.67 -0.32 2.70 1.02 0.25 0.28 118.68 127.56 3exf s LEU 255 Ca 0.16 -0.24 -0.17 0.00 0.02 0.00 0.00 54.13 53.90 3exf s LEU 255 Cb -0.14 -1.97 -0.01 0.00 0.02 0.00 0.00 46.19 44.08 3exf s LEU 255 CO 0.07 -0.07 0.48 -1.10 0.02 0.00 0.00 176.35 175.75 3exf s GLN 256 N 1.64 3.77 0.00 1.70 -0.21 -0.81 -0.35 119.66 125.39 3exf s GLN 256 Ca 0.06 -0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.38 3exf s GLN 256 Cb -0.16 -3.75 0.00 0.00 1.00 0.00 0.00 33.01 30.10 3exf s GLN 256 CO 0.05 -0.52 0.00 -2.37 -2.12 0.00 0.00 175.29 170.34 3exf n THR 257 N 5.31 0.00 -3.61 -0.19 5.66 -0.44 -0.42 114.28 120.58 3exf n THR 257 Ca -0.06 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.80 3exf n THR 257 Cb 0.49 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.21 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 -3.22 -0.74 -0.24 1.09 6.14 -1.26 -4.30 117.35 114.82 3exf s TYR 258 Ca 0.00 1.73 -0.06 0.00 0.64 0.00 0.00 57.07 59.38 3exf s TYR 258 Cb 0.00 0.30 -0.02 0.00 0.42 0.00 0.00 41.96 42.66 3exf s TYR 258 CO 0.00 -0.41 0.03 -0.98 0.64 0.00 0.00 175.55 174.83 3exf s ARG 259 N 0.08 3.56 0.01 4.97 1.70 -1.26 -3.38 118.95 124.62 3exf s ARG 259 Ca -0.02 -0.53 -0.25 0.00 -0.47 0.00 0.00 55.73 54.46 3exf s ARG 259 Cb -0.04 -3.21 -0.19 0.00 -0.57 0.00 0.00 34.95 30.94 3exf s ARG 259 CO 0.02 -0.19 1.38 1.88 -1.08 0.00 0.00 175.30 177.31 3exf h TYR 260 N 8.18 0.01 -4.13 5.89 0.05 -1.42 -3.44 116.97 122.11 3exf h TYR 260 Ca -0.39 -0.00 -0.52 0.00 0.05 0.00 0.00 58.73 57.86 3exf h TYR 260 Cb 1.17 -0.00 0.12 0.00 1.01 0.00 0.00 36.73 39.02 3exf h TYR 260 CO 0.64 0.38 0.44 -1.01 -1.05 0.00 0.00 178.16 177.56 3exf s HIS 261 N -4.71 2.38 0.00 4.88 3.76 -1.26 -5.05 115.29 115.29 3exf s HIS 261 Ca -0.15 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.30 3exf s HIS 261 Cb 0.03 -3.41 0.00 0.00 1.11 0.00 0.00 32.58 30.30 3exf s HIS 261 CO 0.67 -2.16 0.00 0.41 -0.85 0.00 0.00 174.74 172.82 3exf n GLY 262 N 0.29 -2.10 0.19 -2.22 0.00 -1.26 -4.85 105.19 95.25 3exf n GLY 262 Ca 0.13 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 3exf n GLY 262 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3exf h HIS 263 N -0.13 0.99 -1.60 1.61 2.76 -1.88 -3.47 115.15 113.45 3exf h HIS 263 Ca 0.00 -0.55 0.06 0.00 -2.20 0.00 0.00 60.37 57.68 3exf h HIS 263 Cb 0.00 -0.11 -0.25 0.00 1.55 0.00 0.00 27.41 28.61 3exf h HIS 263 CO 0.00 1.39 0.48 -1.54 -1.30 0.00 0.00 177.93 176.96 3exf s SER 264 N -7.24 -0.42 0.03 3.26 1.04 -1.26 -4.72 113.70 104.37 3exf s SER 264 Ca -0.10 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.00 3exf s SER 264 Cb 0.06 0.63 0.07 0.00 0.10 0.00 0.00 66.02 66.89 3exf s SER 264 CO 0.91 -0.25 0.13 0.23 0.98 0.00 0.00 173.24 175.25 3exf n MET 265 N 1.56 -0.01 0.03 4.02 0.00 -1.12 0.22 117.12 121.81 3exf n MET 265 Ca -0.12 0.12 0.11 0.00 0.00 0.00 0.00 57.70 57.82 3exf n MET 265 Cb 0.57 -0.20 0.47 0.00 0.00 0.00 0.00 33.22 34.06 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 -3.71 0.16 -4.54 7.83 3.41 -1.26 -4.60 113.62 110.92 3exf n SER 266 Ca 0.02 0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 58.74 3exf n SER 266 Cb 0.07 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.38 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 -3.31 6.29 0.51 4.04 2.15 0.58 -4.93 116.67 122.00 3exf s ASP 267 Ca 0.10 -0.19 0.27 0.00 0.43 0.00 0.00 52.55 53.16 3exf s ASP 267 Cb 0.14 -2.26 1.37 0.00 -0.30 0.00 0.00 42.92 41.87 3exf s ASP 267 CO 0.43 -0.53 1.92 -0.65 -0.17 0.00 0.00 175.17 176.17 3exf h PRO 268 N 8.57 0.08 0.00 4.34 0.11 -1.85 -3.36 132.00 139.89 3exf h PRO 268 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3exf h PRO 268 Cb 1.12 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3exf h PRO 268 CO 0.79 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 179.04 3exf n GLY 269 N -1.65 0.55 0.31 -0.55 0.00 -1.26 -4.25 105.19 98.33 3exf n GLY 269 Ca 0.16 -0.50 0.04 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.79 0.71 -0.15 1.61 3.14 -1.26 -4.53 118.33 115.06 3exf n VAL 270 Ca 0.00 -0.84 0.01 0.00 -2.96 0.00 0.00 64.34 60.54 3exf n VAL 270 Cb 0.00 0.26 0.01 0.00 -1.06 0.00 0.00 33.84 33.05 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 -0.53 1.97 -0.70 1.55 0.00 -1.26 -4.64 120.51 116.90 3exf n ALA 271 Ca 0.06 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.40 3exf n ALA 271 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.54 0.00 -3.61 0.00 4.11 -1.26 -5.09 117.16 110.77 3exf n TYR 272 Ca 0.01 -0.04 -0.05 0.00 -0.00 0.00 0.00 57.90 57.82 3exf n TYR 272 Cb 0.30 -0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.62 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 -0.07 0.84 0.19 -3.48 1.70 -1.26 -4.95 118.95 111.92 3exf s ARG 273 Ca 0.00 -0.39 -0.07 0.00 -0.47 0.00 0.00 55.73 54.81 3exf s ARG 273 Cb 0.00 0.34 -0.06 0.00 -0.57 0.00 0.00 34.95 34.66 3exf s ARG 273 CO 0.00 -0.38 0.46 0.95 -1.08 0.00 0.00 175.30 175.26 3exf s THR 274 N -3.03 5.06 0.48 4.99 -4.23 -1.26 -4.55 115.64 113.10 3exf s THR 274 Ca 0.09 0.20 0.13 0.00 -1.18 0.00 0.00 61.69 60.93 3exf s THR 274 Cb -0.01 -3.63 0.25 0.00 1.34 0.00 0.00 72.50 70.45 3exf s THR 274 CO -0.04 -0.05 2.09 0.03 -0.54 0.00 0.00 174.62 176.11 3exf h ARG 275 N 2.57 0.12 -0.43 3.99 3.08 -1.94 -1.56 114.38 120.21 3exf h ARG 275 Ca -0.47 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.44 3exf h ARG 275 Cb 1.17 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 3exf h ARG 275 CO 0.70 0.13 -0.26 1.05 -1.07 0.00 0.00 179.97 180.52 3exf h GLU 276 N 0.13 0.92 -0.67 0.04 -0.00 -1.97 0.28 114.58 113.30 3exf h GLU 276 Ca 0.03 -0.41 0.14 0.00 -0.00 0.00 0.00 59.36 59.13 3exf h GLU 276 Cb 0.06 -0.02 -0.12 0.00 -0.00 0.00 0.00 28.75 28.68 3exf h GLU 276 CO -0.00 1.06 -0.03 1.49 -0.00 0.00 0.00 179.01 181.53 3exf h GLU 277 N 0.78 0.08 0.24 1.06 4.81 -1.69 0.46 114.58 120.33 3exf h GLU 277 Ca 0.09 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3exf h GLU 277 Cb 0.83 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.19 3exf h GLU 277 CO 0.07 0.06 -0.11 0.82 -0.73 0.00 0.00 179.01 179.11 3exf h ILE 278 N 0.09 0.81 -0.27 2.32 2.04 -1.34 -2.91 117.51 118.24 3exf h ILE 278 Ca 0.35 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 66.00 3exf h ILE 278 Cb 0.58 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3exf h ILE 278 CO -0.60 0.05 0.07 -0.61 0.00 0.00 0.00 178.15 177.06 3exf h GLN 279 N -0.44 0.18 -0.98 2.37 5.75 0.86 -1.66 115.11 121.18 3exf h GLN 279 Ca -0.03 -0.01 0.10 0.00 -0.15 0.00 0.00 58.65 58.55 3exf h GLN 279 Cb 0.33 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.77 3exf h GLN 279 CO 0.05 0.12 0.63 1.49 -2.65 0.00 0.00 178.83 178.47 3exf h GLU 280 N 0.18 1.00 0.00 1.69 4.81 -0.21 -2.70 114.58 119.35 3exf h GLU 280 Ca 0.12 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 3exf h GLU 280 Cb 0.11 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3exf h GLU 280 CO -0.15 0.66 -0.43 0.28 -0.73 0.00 0.00 179.01 178.64 3exf h VAL 281 N 1.03 1.14 -0.00 0.32 2.07 -1.12 -2.28 116.25 117.42 3exf h VAL 281 Ca 0.45 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 66.40 3exf h VAL 281 Cb 0.36 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3exf h VAL 281 CO -0.21 0.42 -0.11 -1.14 0.02 0.00 0.00 177.57 176.55 3exf n ARG 282 N -3.77 0.25 -0.08 1.57 0.63 -0.81 -0.75 116.66 113.69 3exf n ARG 282 Ca -0.01 -0.06 -0.08 0.00 -0.92 0.00 0.00 57.85 56.78 3exf n ARG 282 Cb 0.50 -1.50 -0.12 0.00 0.45 0.00 0.00 32.46 31.79 3exf n ARG 282 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3exf n SER 283 N -1.33 1.25 -0.04 6.15 3.41 -1.09 -3.93 113.62 118.04 3exf n SER 283 Ca 0.10 -0.01 -0.09 0.00 -0.26 0.00 0.00 58.87 58.60 3exf n SER 283 Cb 0.31 0.77 -0.14 0.00 -0.26 0.00 0.00 64.21 64.88 3exf n SER 283 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3exf n LYS 284 N -2.63 0.65 -0.13 4.33 5.02 -0.88 -4.70 118.16 119.82 3exf n LYS 284 Ca -0.27 0.23 0.01 0.00 -2.02 0.00 0.00 58.31 56.26 3exf n LYS 284 Cb 1.00 -1.73 0.02 0.00 -0.02 0.00 0.00 35.03 34.30 3exf n LYS 284 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3exf n SER 285 N -2.99 0.75 -4.65 4.39 7.64 0.07 -5.02 113.62 113.81 3exf n SER 285 Ca -0.21 -1.73 -0.56 0.00 1.01 0.00 0.00 58.87 57.38 3exf n SER 285 Cb 1.08 -0.10 -0.07 0.00 -1.01 0.00 0.00 64.21 64.10 3exf n SER 285 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3exf n ASP 286 N -0.30 1.86 0.23 6.43 2.03 -1.15 -4.82 116.55 120.83 3exf n ASP 286 Ca 0.02 1.11 0.15 0.00 0.52 0.00 0.00 54.79 56.59 3exf n ASP 286 Cb 0.51 -1.14 0.80 0.00 -0.72 0.00 0.00 41.12 40.57 3exf n ASP 286 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3exf h PRO 287 N 5.66 0.00 0.00 -0.67 0.11 -1.85 -0.57 132.00 134.69 3exf h PRO 287 Ca -0.47 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.29 3exf h PRO 287 Cb 1.34 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.38 3exf h PRO 287 CO 0.86 0.00 -2.33 -0.89 -0.21 0.00 0.00 178.00 175.43 3exf n ILE 288 N -2.54 1.34 0.04 4.15 5.41 -1.26 -3.82 119.36 122.68 3exf n ILE 288 Ca -0.02 -0.61 -0.14 0.00 1.00 0.00 0.00 62.75 62.98 3exf n ILE 288 Cb 0.06 -1.07 -0.04 0.00 -0.71 0.00 0.00 39.64 37.88 3exf n ILE 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3exf h MET 289 N 0.00 0.53 0.00 0.38 -0.00 -1.90 -1.22 114.93 112.73 3exf h MET 289 Ca -0.52 -0.51 -0.01 0.00 -0.00 0.00 0.00 59.70 58.65 3exf h MET 289 Cb 1.93 0.13 -0.00 0.00 -0.00 0.00 0.00 31.60 33.66 3exf h MET 289 CO -0.05 1.14 -0.06 1.25 -0.00 0.00 0.00 176.91 179.20 3exf h LEU 290 N 0.33 0.00 0.00 -0.10 5.85 -1.27 -1.59 115.31 118.53 3exf h LEU 290 Ca -0.07 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.28 3exf h LEU 290 Cb 1.51 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.47 3exf h LEU 290 CO 0.16 0.06 -2.35 -0.11 -0.34 0.00 0.00 178.44 175.86 3exf n LEU 291 N -3.33 0.99 -0.22 2.25 7.94 -1.10 -3.60 117.00 119.93 3exf n LEU 291 Ca -0.01 -0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.82 3exf n LEU 291 Cb 0.22 0.03 0.04 0.00 0.53 0.00 0.00 43.42 44.24 3exf n LEU 291 CO 0.27 0.63 1.08 0.50 -1.11 0.00 0.00 177.39 178.76 3exf h LYS 292 N 0.00 0.87 -0.36 1.96 3.64 -0.93 0.14 116.57 121.90 3exf h LYS 292 Ca -0.54 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 58.78 3exf h LYS 292 Cb 2.13 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 33.74 3exf h LYS 292 CO 0.00 0.64 0.17 -0.44 -2.27 0.00 0.00 179.45 177.55 3exf h ASP 293 N 0.85 0.23 -0.84 4.20 3.32 -1.47 -0.26 116.42 122.45 3exf h ASP 293 Ca 0.22 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.39 3exf h ASP 293 Cb 0.02 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 3exf h ASP 293 CO -0.04 0.18 0.55 0.03 -1.72 0.00 0.00 179.24 178.24 3exf h ARG 294 N 0.35 0.80 0.13 3.56 3.08 -1.38 -0.93 114.38 119.99 3exf h ARG 294 Ca 0.15 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.99 3exf h ARG 294 Cb 0.08 -0.18 0.02 0.00 0.08 0.00 0.00 29.97 29.97 3exf h ARG 294 CO -0.12 0.53 -0.75 0.52 -1.07 0.00 0.00 179.97 179.08 3exf h MET 295 N 0.82 0.27 -0.50 0.04 2.86 0.06 -3.09 114.93 115.39 3exf h MET 295 Ca 0.39 -0.46 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3exf h MET 295 Cb 0.40 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 3exf h MET 295 CO -0.16 1.22 0.32 0.28 1.06 0.00 0.00 176.91 179.64 3exf h VAL 296 N -0.43 1.10 -0.12 -2.22 2.07 -0.92 -0.52 116.25 115.22 3exf h VAL 296 Ca -0.13 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 3exf h VAL 296 Cb 1.59 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3exf h VAL 296 CO 0.14 0.12 -0.31 0.78 0.02 0.00 0.00 177.57 178.32 3exf h ASN 297 N 0.66 0.23 -0.49 0.57 2.35 -1.29 -2.26 115.58 115.34 3exf h ASN 297 Ca 0.19 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3exf h ASN 297 Cb -0.05 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 3exf h ASN 297 CO -0.06 0.54 0.00 -1.54 -1.65 0.00 0.00 177.43 174.72 3exf n SER 298 N -4.12 5.25 -2.35 5.81 3.41 -1.15 -4.93 113.62 115.54 3exf n SER 298 Ca -0.01 -2.97 -0.14 0.00 -0.26 0.00 0.00 58.87 55.49 3exf n SER 298 Cb 0.40 -0.65 -0.01 0.00 -0.26 0.00 0.00 64.21 63.69 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 0.30 -4.35 0.03 4.04 5.15 -0.84 -4.66 115.26 114.94 3exf n ASN 299 Ca 0.26 0.16 0.12 0.00 -0.60 0.00 0.00 54.58 54.53 3exf n ASN 299 Cb 1.12 -3.69 0.50 0.00 -0.53 0.00 0.00 39.78 37.18 3exf n ASN 299 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3exf n LEU 300 N -2.78 0.22 0.00 1.20 4.32 -0.26 -0.70 117.00 119.00 3exf n LEU 300 Ca -0.17 0.53 0.00 0.00 -0.02 0.00 0.00 56.01 56.35 3exf n LEU 300 Cb 0.62 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 3exf n LEU 300 CO 0.20 -0.14 0.00 0.00 -1.22 0.00 0.00 177.39 176.23 3exf n ALA 301 N -1.58 0.00 -2.48 -1.18 0.00 -1.18 -4.78 120.51 109.30 3exf n ALA 301 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.21 3exf n ALA 301 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 3exf n ALA 301 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3exf s SER 302 N 0.00 6.44 0.20 0.00 1.04 -1.26 -3.63 113.70 116.49 3exf s SER 302 Ca 0.00 0.75 -0.11 0.00 0.48 0.00 0.00 55.95 57.08 3exf s SER 302 Cb 0.00 -2.16 0.13 0.00 0.10 0.00 0.00 66.02 64.08 3exf s SER 302 CO 0.00 -0.23 1.81 1.62 0.98 0.00 0.00 173.24 177.42 3exf h VAL 303 N 1.27 1.22 -0.86 5.02 3.04 -1.96 -2.05 116.25 121.93 3exf h VAL 303 Ca -0.48 -0.55 0.05 0.00 -1.01 0.00 0.00 66.70 64.71 3exf h VAL 303 Cb 1.19 0.30 -0.06 0.00 -2.01 0.00 0.00 31.29 30.72 3exf h VAL 303 CO 0.66 0.24 0.54 1.05 -1.01 0.00 0.00 177.57 179.05 3exf h GLU 304 N 0.96 0.99 -0.10 4.17 4.11 -1.98 0.45 114.58 123.19 3exf h GLU 304 Ca 0.25 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.61 3exf h GLU 304 Cb 0.05 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 3exf h GLU 304 CO -0.04 0.66 0.04 0.93 0.07 0.00 0.00 179.01 180.67 3exf h GLU 305 N 1.02 0.14 0.00 1.06 5.08 -1.89 -2.14 114.58 117.86 3exf h GLU 305 Ca 0.36 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3exf h GLU 305 Cb 0.09 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3exf h GLU 305 CO -0.14 0.24 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.02 3exf h LEU 306 N 0.01 0.00 -0.37 1.33 3.38 -1.09 0.14 115.31 118.71 3exf h LEU 306 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3exf h LEU 306 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3exf h LEU 306 CO -0.00 0.02 -0.62 0.50 0.09 0.00 0.00 178.44 178.43 3exf h LYS 307 N 0.00 0.00 -0.49 1.13 1.63 -0.50 -2.75 116.57 115.60 3exf h LYS 307 Ca -0.00 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.70 3exf h LYS 307 Cb 0.33 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 3exf h LYS 307 CO 0.00 0.62 -0.10 0.93 -3.45 0.00 0.00 179.45 177.45 3exf h GLU 308 N 0.00 0.93 0.08 1.90 5.08 -0.10 -2.51 114.58 119.96 3exf h GLU 308 Ca -0.01 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3exf h GLU 308 Cb 1.31 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3exf h GLU 308 CO 0.08 1.00 -0.04 0.82 -1.00 0.00 0.00 179.01 179.88 3exf h ILE 309 N 0.78 0.93 -0.74 3.13 2.04 -1.39 -2.66 117.51 119.61 3exf h ILE 309 Ca 0.13 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 66.02 3exf h ILE 309 Cb 0.65 0.96 -0.09 0.00 -0.74 0.00 0.00 36.82 37.60 3exf h ILE 309 CO 0.04 0.01 -0.44 0.44 0.00 0.00 0.00 178.15 178.21 3exf h ASP 310 N -0.12 -1.61 -0.33 1.72 3.32 -1.36 -1.58 116.42 116.47 3exf h ASP 310 Ca -0.01 0.24 0.06 0.00 0.02 0.00 0.00 57.03 57.34 3exf h ASP 310 Cb 0.09 0.71 -0.06 0.00 0.22 0.00 0.00 39.33 40.30 3exf h ASP 310 CO 0.02 -0.17 -0.03 0.58 -1.72 0.00 0.00 179.24 177.91 3exf h VAL 311 N -0.00 0.72 -0.89 -1.35 2.07 -1.40 -1.46 116.25 113.93 3exf h VAL 311 Ca 0.12 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.64 3exf h VAL 311 Cb 0.31 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3exf h VAL 311 CO -0.69 0.01 0.59 -0.33 0.02 0.00 0.00 177.57 177.17 3exf h GLU 312 N 0.06 1.14 0.45 1.57 5.08 -1.05 1.13 114.58 122.96 3exf h GLU 312 Ca 0.16 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3exf h GLU 312 Cb 0.23 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3exf h GLU 312 CO -0.30 0.76 -0.21 0.28 -1.00 0.00 0.00 179.01 178.53 3exf h VAL 313 N 1.18 0.07 -1.00 3.13 2.07 -1.14 -2.15 116.25 118.42 3exf h VAL 313 Ca 0.34 -0.57 0.24 0.00 0.82 0.00 0.00 66.70 67.52 3exf h VAL 313 Cb -0.09 0.11 -0.19 0.00 -1.52 0.00 0.00 31.29 29.60 3exf h VAL 313 CO -0.08 0.02 -0.11 0.54 0.02 0.00 0.00 177.57 177.95 3exf n ARG 314 N -5.18 -0.08 0.20 1.57 5.12 -0.57 0.63 116.66 118.36 3exf n ARG 314 Ca -0.08 1.52 0.05 0.00 -1.93 0.00 0.00 57.85 57.42 3exf n ARG 314 Cb 0.25 -2.35 0.52 0.00 -1.16 0.00 0.00 32.46 29.72 3exf n ARG 314 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 3exf h LYS 315 N 0.00 0.08 0.11 5.56 3.64 0.13 -2.61 116.57 123.49 3exf h LYS 315 Ca 0.54 -0.01 -0.33 0.00 -1.27 0.00 0.00 60.65 59.58 3exf h LYS 315 Cb 0.99 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3exf h LYS 315 CO -0.98 0.17 -1.77 1.49 -2.27 0.00 0.00 179.45 176.09 3exf h GLU 316 N 0.08 0.24 -0.88 1.90 4.81 0.89 -3.16 114.58 118.46 3exf h GLU 316 Ca 0.02 -0.41 0.10 0.00 -0.13 0.00 0.00 59.36 58.93 3exf h GLU 316 Cb 0.21 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.68 3exf h GLU 316 CO 0.01 1.09 0.57 0.82 -0.73 0.00 0.00 179.01 180.77 3exf h ILE 317 N 0.07 0.96 -0.77 2.32 5.03 -0.61 -1.82 117.51 122.69 3exf h ILE 317 Ca -0.34 -0.30 -0.05 0.00 -0.12 0.00 0.00 64.86 64.06 3exf h ILE 317 Cb 2.04 0.02 -0.03 0.00 -3.03 0.00 0.00 36.82 35.82 3exf h ILE 317 CO 0.12 0.16 0.29 -0.08 -0.68 0.00 0.00 178.15 177.96 3exf h GLU 318 N 0.87 1.15 0.00 2.37 4.57 -1.48 -1.65 114.58 120.40 3exf h GLU 318 Ca 0.41 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 3exf h GLU 318 Cb 0.42 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 3exf h GLU 318 CO -0.17 0.94 -0.16 -0.44 -1.18 0.00 0.00 179.01 178.00 3exf h ASP 319 N 1.12 0.00 0.20 1.04 3.32 -1.46 -2.38 116.42 118.26 3exf h ASP 319 Ca 0.25 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.01 3exf h ASP 319 Cb 0.23 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.81 3exf h ASP 319 CO -0.02 0.16 -1.25 0.00 -1.72 0.00 0.00 179.24 176.41 3exf h ALA 320 N 1.84 0.01 0.00 3.45 0.00 -0.59 -3.08 119.26 120.89 3exf h ALA 320 Ca -0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 54.91 54.03 3exf h ALA 320 Cb 0.80 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3exf h ALA 320 CO 0.02 0.72 -0.43 0.00 0.00 0.00 0.00 179.25 179.57 3exf h ALA 321 N 0.34 0.74 -0.29 0.00 0.00 -1.27 -0.53 119.26 118.24 3exf h ALA 321 Ca -0.18 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 3exf h ALA 321 Cb 1.93 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 3exf h ALA 321 CO 0.23 0.54 -0.16 0.37 0.00 0.00 0.00 179.25 180.23 3exf h GLN 322 N 0.00 0.51 0.10 0.00 5.75 -1.53 -0.71 115.11 119.23 3exf h GLN 322 Ca -0.00 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.33 3exf h GLN 322 Cb 1.29 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.79 3exf h GLN 322 CO 0.06 0.66 -0.05 0.35 -2.65 0.00 0.00 178.83 177.20 3exf h PHE 323 N 0.46 -0.12 0.00 3.99 3.57 -1.20 -2.59 116.94 121.06 3exf h PHE 323 Ca 0.08 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3exf h PHE 323 Cb 0.55 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.33 3exf h PHE 323 CO 0.02 0.40 0.00 0.00 -2.23 0.00 0.00 178.31 176.49 3exf h ALA 324 N -0.07 1.00 0.11 2.41 0.00 -1.04 0.83 119.26 122.50 3exf h ALA 324 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 3exf h ALA 324 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3exf h ALA 324 CO 0.02 0.00 -1.44 1.79 0.00 0.00 0.00 179.25 179.62 3exf h THR 325 N 0.00 1.25 -0.15 0.00 1.35 -1.22 -3.37 112.91 110.78 3exf h THR 325 Ca 0.00 -2.89 -0.10 0.00 -0.55 0.00 0.00 66.41 62.87 3exf h THR 325 Cb 0.45 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 3exf h THR 325 CO 0.00 0.83 -0.29 0.00 -0.25 0.00 0.00 175.52 175.81 3exf h ALA 326 N 0.56 0.24 -1.81 6.62 0.00 -0.84 -3.47 119.26 120.56 3exf h ALA 326 Ca -0.21 -0.41 -0.66 0.00 0.00 0.00 0.00 54.91 53.64 3exf h ALA 326 Cb 1.99 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 19.80 3exf h ALA 326 CO 0.17 0.25 0.51 -3.47 0.00 0.00 0.00 179.25 176.71 3exf n ASP 327 N -4.39 1.93 -4.71 0.00 2.03 0.28 -4.93 116.55 106.75 3exf n ASP 327 Ca -0.06 1.11 -0.35 0.00 0.52 0.00 0.00 54.79 56.01 3exf n ASP 327 Cb 0.47 -1.24 0.10 0.00 -0.72 0.00 0.00 41.12 39.73 3exf n ASP 327 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3exf s PRO 328 N 0.49 1.98 0.90 -0.67 0.04 -1.26 -4.77 135.00 131.71 3exf s PRO 328 Ca 0.82 1.85 -0.11 0.00 0.04 0.00 0.00 61.00 63.60 3exf s PRO 328 Cb -0.89 -1.80 0.13 0.00 0.04 0.00 0.00 34.50 31.98 3exf s PRO 328 CO 0.45 -1.98 1.10 -1.21 0.04 0.00 0.00 177.00 175.41 3exf s GLU 329 N -3.88 1.22 0.51 4.56 2.02 -1.26 -1.59 118.70 120.28 3exf s GLU 329 Ca 0.76 1.09 -0.21 0.00 0.02 0.00 0.00 54.97 56.64 3exf s GLU 329 Cb -0.31 -1.78 -0.07 0.00 0.10 0.00 0.00 34.13 32.06 3exf s GLU 329 CO 0.47 -2.34 1.11 -2.14 0.02 0.00 0.00 175.26 172.37 3exf s PRO 330 N -4.80 3.57 0.40 0.39 0.02 -1.26 -4.41 135.00 128.90 3exf s PRO 330 Ca 0.64 1.58 -0.26 0.00 0.02 0.00 0.00 61.00 62.99 3exf s PRO 330 Cb -0.20 -2.13 -0.09 0.00 0.02 0.00 0.00 34.50 32.11 3exf s PRO 330 CO 0.58 -0.66 1.23 -2.14 -0.33 0.00 0.00 177.00 175.68 3exf s PRO 331 N -3.12 4.03 0.21 5.54 0.02 -1.26 -4.94 135.00 135.48 3exf s PRO 331 Ca 0.69 2.00 -0.10 0.00 0.02 0.00 0.00 61.00 63.61 3exf s PRO 331 Cb -0.23 -2.74 0.29 0.00 0.02 0.00 0.00 34.50 31.84 3exf s PRO 331 CO 0.27 -0.38 1.72 1.25 -0.33 0.00 0.00 177.00 179.53 3exf h LEU 332 N 2.71 0.11 -0.69 -5.54 5.85 -2.02 -2.31 115.31 113.42 3exf h LEU 332 Ca -0.49 0.10 0.18 0.00 0.84 0.00 0.00 57.88 58.50 3exf h LEU 332 Cb 1.24 0.11 -0.13 0.00 0.37 0.00 0.00 40.66 42.25 3exf h LEU 332 CO 0.63 0.07 -0.03 -0.62 -0.34 0.00 0.00 178.44 178.14 3exf n GLU 333 N -5.06 -0.06 0.00 1.25 4.71 -1.26 0.96 120.64 121.18 3exf n GLU 333 Ca 0.09 1.04 0.08 0.00 -0.01 0.00 0.00 57.16 58.36 3exf n GLU 333 Cb 0.30 -1.62 0.50 0.00 -1.01 0.00 0.00 31.44 29.61 3exf n GLU 333 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3exf n GLU 334 N -4.97 0.74 -0.26 3.49 1.02 -0.87 -4.29 120.64 115.50 3exf n GLU 334 Ca 0.15 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.35 3exf n GLU 334 Cb 0.48 -1.35 0.20 0.00 -0.02 0.00 0.00 31.44 30.75 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 0.00 0.18 -2.38 -4.62 6.46 0.46 -1.78 115.31 113.63 3exf h LEU 335 Ca 0.00 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 3exf h LEU 335 Cb 0.00 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 3exf h LEU 335 CO 0.00 0.03 0.00 0.61 -0.62 0.00 0.00 178.44 178.46 3exf n GLY 336 N -1.34 2.01 3.77 3.75 0.00 -1.26 -4.97 105.19 107.16 3exf n GLY 336 Ca 0.15 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.23 3.40 -0.32 1.61 1.51 -0.67 -4.03 117.35 117.63 3exf s TYR 337 Ca 0.43 1.67 -0.02 0.00 -1.01 0.00 0.00 57.07 58.14 3exf s TYR 337 Cb 0.23 -3.21 0.00 0.00 -0.11 0.00 0.00 41.96 38.87 3exf s TYR 337 CO 0.28 -0.63 0.28 0.72 -1.11 0.00 0.00 175.55 175.09 3exf n HIS 338 N 0.51 -0.66 -0.03 2.71 8.25 -0.05 -4.89 115.22 121.06 3exf n HIS 338 Ca 0.02 0.24 -0.01 0.00 -0.26 0.00 0.00 57.72 57.71 3exf n HIS 338 Cb 0.47 -2.15 -0.00 0.00 1.12 0.00 0.00 29.99 29.43 3exf n HIS 338 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3exf h ILE 339 N -0.61 0.00 -2.90 1.59 2.04 -1.80 -3.48 117.51 112.35 3exf h ILE 339 Ca -0.14 -0.57 -0.48 0.00 1.00 0.00 0.00 64.86 64.67 3exf h ILE 339 Cb 1.09 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3exf h ILE 339 CO 0.13 0.00 -0.16 -0.31 0.00 0.00 0.00 178.15 177.81 3exf s TYR 340 N -1.46 3.51 -0.04 1.37 2.02 -1.26 -5.11 117.35 116.38 3exf s TYR 340 Ca -0.03 0.41 0.02 0.00 -0.37 0.00 0.00 57.07 57.09 3exf s TYR 340 Cb 0.00 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 3exf s TYR 340 CO 0.04 0.09 -0.07 0.45 -1.57 0.00 0.00 175.55 174.49 3exf s SER 341 N -4.00 4.65 -1.51 2.29 0.15 -1.26 -4.27 113.70 109.75 3exf s SER 341 Ca 0.41 -0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.87 3exf s SER 341 Cb -0.10 -1.14 0.08 0.00 -1.71 0.00 0.00 66.02 63.15 3exf s SER 341 CO 0.37 0.33 0.93 -1.20 1.20 0.00 0.00 173.24 174.87 3exf n SER 342 N 1.98 -4.21 -4.51 5.45 7.64 -1.26 -5.00 113.62 113.72 3exf n SER 342 Ca -0.17 -0.80 -0.25 0.00 1.01 0.00 0.00 58.87 58.66 3exf n SER 342 Cb 0.53 -3.83 -0.10 0.00 -1.01 0.00 0.00 64.21 59.80 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 -3.46 3.67 0.79 6.43 1.11 -1.26 -5.11 116.67 118.83 3exf s ASP 343 Ca 0.58 -1.11 -0.12 0.00 0.18 0.00 0.00 52.55 52.08 3exf s ASP 343 Cb -0.29 -0.33 0.07 0.00 1.07 0.00 0.00 42.92 43.44 3exf s ASP 343 CO 0.84 -0.08 1.13 -2.84 1.18 0.00 0.00 175.17 175.39 3exf s PRO 344 N -3.56 2.00 0.60 8.23 0.02 -1.26 -4.36 135.00 136.67 3exf s PRO 344 Ca 0.31 1.39 -0.18 0.00 0.02 0.00 0.00 61.00 62.55 3exf s PRO 344 Cb -0.01 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 3exf s PRO 344 CO 0.16 -1.87 1.15 -1.25 -0.33 0.00 0.00 177.00 174.86 3exf s PRO 345 N -4.56 3.01 0.00 5.54 0.04 -1.26 -4.76 135.00 133.01 3exf s PRO 345 Ca 0.65 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.32 3exf s PRO 345 Cb -0.21 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3exf s PRO 345 CO 0.53 -1.13 0.00 1.97 0.04 0.00 0.00 177.00 178.41 3exf n PHE 346 N -1.78 -0.14 -5.07 0.56 -1.74 -0.06 -4.95 117.46 104.28 3exf n PHE 346 Ca 0.12 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.72 3exf n PHE 346 Cb 0.51 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.34 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 -0.17 2.22 -0.02 3.97 2.56 -1.26 -1.83 118.70 124.17 3exf s GLU 347 Ca 0.00 -0.77 0.06 0.00 0.00 0.00 0.00 54.97 54.26 3exf s GLU 347 Cb 0.00 -1.89 -0.01 0.00 2.00 0.00 0.00 34.13 34.23 3exf s GLU 347 CO 0.00 0.31 -0.20 0.08 -0.56 0.00 0.00 175.26 174.89 3exf s VAL 348 N -0.04 1.56 0.18 3.70 1.01 -0.82 -4.94 120.40 121.04 3exf s VAL 348 Ca -0.05 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 3exf s VAL 348 Cb -0.13 -1.30 -0.08 0.00 0.00 0.00 0.00 36.38 34.87 3exf s VAL 348 CO 0.03 0.44 1.15 -0.60 0.00 0.00 0.00 175.10 176.13 3exf s ARG 349 N -0.39 4.54 0.00 2.72 3.52 -1.26 -1.90 118.95 126.18 3exf s ARG 349 Ca 0.06 1.80 0.00 0.00 -0.13 0.00 0.00 55.73 57.45 3exf s ARG 349 Cb -0.08 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 3exf s ARG 349 CO -0.00 -0.02 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 3exf n GLY 350 N 2.14 -0.19 0.30 8.12 0.00 0.93 -4.91 105.19 111.58 3exf n GLY 350 Ca 0.04 -1.77 0.16 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.53 1.19 -3.02 4.61 0.00 -1.96 -3.44 119.26 115.11 3exf h ALA 351 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3exf h ALA 351 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3exf h ALA 351 CO 0.00 -0.19 -0.05 0.27 0.00 0.00 0.00 179.25 179.28 3exf n ASN 352 N -2.77 -0.18 0.18 0.00 0.23 -1.26 -5.06 115.26 106.39 3exf n ASN 352 Ca -0.02 -1.34 0.12 0.00 -0.53 0.00 0.00 54.58 52.81 3exf n ASN 352 Cb 0.25 0.37 0.12 0.00 -2.08 0.00 0.00 39.78 38.45 3exf n ASN 352 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3exf h GLN 353 N 0.00 0.00 -0.78 -3.83 3.07 -1.99 -2.72 115.11 108.86 3exf h GLN 353 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.69 3exf h GLN 353 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.76 3exf h GLN 353 CO 0.06 0.00 0.01 0.91 0.09 0.00 0.00 178.83 179.90 3exf n TRP 354 N -2.94 1.16 -3.99 0.06 8.01 -1.26 -4.68 117.44 113.80 3exf n TRP 354 Ca 0.03 -0.42 -0.33 0.00 -1.31 0.00 0.00 57.50 55.46 3exf n TRP 354 Cb 0.53 -0.34 -0.14 0.00 -2.01 0.00 0.00 31.31 29.35 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 -1.96 2.58 -0.09 -0.99 1.01 -1.03 -5.06 121.20 115.66 3exf s ILE 355 Ca 0.30 -1.52 0.04 0.00 0.00 0.00 0.00 60.65 59.47 3exf s ILE 355 Cb 0.23 -2.50 -0.00 0.00 0.01 0.00 0.00 42.46 40.19 3exf s ILE 355 CO 0.09 -0.08 -0.23 -0.54 0.00 0.00 0.00 174.94 174.18 3exf s LYS 356 N 1.17 2.89 -0.19 2.79 1.02 -1.26 -0.05 119.74 126.12 3exf s LYS 356 Ca -0.07 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.04 3exf s LYS 356 Cb -0.20 -2.22 -0.01 0.00 -0.52 0.00 0.00 37.83 34.88 3exf s LYS 356 CO -0.03 0.20 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.46 3exf s PHE 357 N 0.28 2.91 0.66 3.18 0.08 -0.80 -4.92 117.98 119.37 3exf s PHE 357 Ca -0.16 -0.85 -0.17 0.00 0.12 0.00 0.00 56.93 55.87 3exf s PHE 357 Cb -0.17 -2.01 -0.00 0.00 -0.57 0.00 0.00 43.02 40.27 3exf s PHE 357 CO 0.08 -0.43 1.21 0.21 -0.10 0.00 0.00 175.22 176.20 3exf s LYS 358 N 1.05 2.58 -0.05 0.44 2.20 -1.26 -1.95 119.74 122.76 3exf s LYS 358 Ca 0.00 1.81 -0.02 0.00 -0.36 0.00 0.00 55.97 57.40 3exf s LYS 358 Cb -0.15 -1.88 0.03 0.00 -1.51 0.00 0.00 37.83 34.32 3exf s LYS 358 CO -0.01 -1.50 0.06 0.45 -0.36 0.00 0.00 175.35 173.99 3exf s SER 359 N -1.80 1.25 0.10 1.43 0.15 -0.76 -4.02 113.70 110.05 3exf s SER 359 Ca 0.76 0.02 0.09 0.00 0.70 0.00 0.00 55.95 57.52 3exf s SER 359 Cb -0.30 -0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 63.81 3exf s SER 359 CO 0.39 -0.26 -0.22 0.68 1.20 0.00 0.00 173.24 175.04 3exf s VAL 360 N 2.16 1.82 -1.67 4.45 -7.23 -1.26 -0.88 120.40 117.78 3exf s VAL 360 Ca 0.05 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 3exf s VAL 360 Cb -0.12 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.19 3exf s VAL 360 CO -0.04 0.02 0.42 -1.20 -0.31 0.00 0.00 175.10 173.99