#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3exf s PHE 1 N 0.00 2.97 0.68 1.12 0.08 -1.26 -5.08 117.98 116.48 3exf s PHE 1 Ca 0.00 -0.14 -0.11 0.00 0.12 0.00 0.00 56.93 56.80 3exf s PHE 1 Cb 0.00 -1.34 -0.00 0.00 -0.57 0.00 0.00 43.02 41.11 3exf s PHE 1 CO 0.00 0.55 1.05 0.00 -0.10 0.00 0.00 175.22 176.73 3exf s ALA 2 N -2.15 2.75 -0.13 5.36 0.00 -0.96 -4.95 121.76 121.68 3exf s ALA 2 Ca 0.32 0.07 0.19 0.00 0.00 0.00 0.00 51.96 52.54 3exf s ALA 2 Cb -0.08 -3.16 -0.28 0.00 0.00 0.00 0.00 23.12 19.60 3exf s ALA 2 CO 0.23 -1.12 0.22 0.09 0.00 0.00 0.00 175.76 175.18 3exf n ASN 3 N -3.03 0.10 -3.89 0.00 3.02 -1.26 -4.65 115.26 105.55 3exf n ASN 3 Ca 0.07 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.54 3exf n ASN 3 Cb 0.54 1.36 -0.04 0.00 -0.61 0.00 0.00 39.78 41.03 3exf n ASN 3 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3exf s ASP 4 N -5.08 -0.20 0.03 6.41 3.84 -1.26 -1.82 116.67 118.60 3exf s ASP 4 Ca -0.09 -0.71 -0.08 0.00 -0.00 0.00 0.00 52.55 51.67 3exf s ASP 4 Cb 0.09 0.65 -0.00 0.00 -1.38 0.00 0.00 42.92 42.28 3exf s ASP 4 CO 0.84 -1.22 0.16 0.00 -0.00 0.00 0.00 175.17 174.95 3exf s ALA 5 N -3.95 -0.28 0.03 2.11 0.00 -0.53 -4.96 121.76 114.17 3exf s ALA 5 Ca 0.15 -0.32 -0.16 0.00 0.00 0.00 0.00 51.96 51.63 3exf s ALA 5 Cb -0.03 0.24 -0.06 0.00 0.00 0.00 0.00 23.12 23.27 3exf s ALA 5 CO 0.06 -0.32 0.46 0.99 0.00 0.00 0.00 175.76 176.95 3exf s THR 6 N -2.37 4.93 0.08 0.00 2.01 -1.26 0.13 115.64 119.15 3exf s THR 6 Ca -0.07 0.97 0.07 0.00 0.31 0.00 0.00 61.69 62.97 3exf s THR 6 Cb -0.02 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 3exf s THR 6 CO -0.03 0.57 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.92 3exf s PHE 7 N -1.09 1.60 -0.10 4.92 0.40 0.10 -4.96 117.98 118.84 3exf s PHE 7 Ca 0.26 -0.41 -0.21 0.00 -0.60 0.00 0.00 56.93 55.96 3exf s PHE 7 Cb -0.18 -0.90 -0.04 0.00 0.51 0.00 0.00 43.02 42.42 3exf s PHE 7 CO 0.15 0.14 0.62 -1.21 0.70 0.00 0.00 175.22 175.62 3exf s GLU 8 N -1.68 4.37 0.13 0.44 2.02 -1.26 -1.76 118.70 120.96 3exf s GLU 8 Ca 0.04 0.71 0.09 0.00 0.02 0.00 0.00 54.97 55.83 3exf s GLU 8 Cb -0.10 -3.47 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 3exf s GLU 8 CO 0.03 0.04 -0.21 0.96 0.02 0.00 0.00 175.26 176.10 3exf s ILE 9 N 0.94 1.88 0.08 -1.63 -4.36 0.13 -5.01 121.20 113.23 3exf s ILE 9 Ca 0.33 -1.72 -0.33 0.00 -0.26 0.00 0.00 60.65 58.67 3exf s ILE 9 Cb -0.17 -1.75 -0.12 0.00 1.25 0.00 0.00 42.46 41.68 3exf s ILE 9 CO 0.14 -0.11 1.79 0.29 0.24 0.00 0.00 174.94 177.29 3exf n LYS 10 N 0.78 2.49 -1.64 0.37 5.02 -1.26 -4.60 118.16 119.32 3exf n LYS 10 Ca -0.17 0.91 -0.51 0.00 -2.02 0.00 0.00 58.31 56.52 3exf n LYS 10 Cb 0.55 -2.76 -0.05 0.00 -0.02 0.00 0.00 35.03 32.74 3exf n LYS 10 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3exf n LYS 11 N 5.34 1.54 -1.84 1.97 4.81 -1.26 -4.94 118.16 123.78 3exf n LYS 11 Ca 0.19 0.56 -0.33 0.00 -0.87 0.00 0.00 58.31 57.86 3exf n LYS 11 Cb 0.33 -2.26 0.03 0.00 0.02 0.00 0.00 35.03 33.15 3exf n LYS 11 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3exf s ASP 13 N -2.82 7.20 0.05 0.00 1.01 -1.09 -4.90 116.67 116.12 3exf s ASP 13 Ca 0.64 1.93 0.04 0.00 0.71 0.00 0.00 52.55 55.88 3exf s ASP 13 Cb -0.18 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.13 3exf s ASP 13 CO 0.41 -0.36 -0.05 -0.76 0.21 0.00 0.00 175.17 174.62 3exf s LEU 14 N 0.77 3.26 -0.08 1.23 1.43 -1.26 -0.49 118.68 123.53 3exf s LEU 14 Ca 0.55 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3exf s LEU 14 Cb -0.27 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.03 3exf s LEU 14 CO 0.30 0.23 -0.06 -2.28 0.23 0.00 0.00 176.35 174.77 3exf s HIS 15 N -1.13 1.17 -1.43 0.29 5.65 -0.39 -4.83 115.29 114.62 3exf s HIS 15 Ca 0.20 -0.48 -0.04 0.00 0.25 0.00 0.00 55.06 55.00 3exf s HIS 15 Cb -0.11 -1.00 0.02 0.00 -1.18 0.00 0.00 32.58 30.31 3exf s HIS 15 CO 0.12 -0.36 0.36 0.54 -0.65 0.00 0.00 174.74 174.74 3exf n ARG 16 N 4.55 -3.46 -4.25 2.88 1.74 -1.26 -0.77 116.66 116.10 3exf n ARG 16 Ca -0.16 0.76 -0.17 0.00 -0.77 0.00 0.00 57.85 57.50 3exf n ARG 16 Cb 0.51 -5.50 -0.13 0.00 -1.02 0.00 0.00 32.46 26.32 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 -6.32 2.16 0.02 0.55 1.43 -1.26 -4.75 118.68 110.51 3exf s LEU 17 Ca 0.22 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.76 3exf s LEU 17 Cb -0.10 -0.43 -0.35 0.00 0.03 0.00 0.00 46.19 45.34 3exf s LEU 17 CO 0.27 -0.02 0.95 -0.33 0.23 0.00 0.00 176.35 177.45 3exf h GLU 18 N 5.04 0.51 -5.53 1.70 5.08 -2.00 -3.47 114.58 115.91 3exf h GLU 18 Ca -0.35 -0.87 -0.52 0.00 -1.00 0.00 0.00 59.36 56.62 3exf h GLU 18 Cb 1.19 0.32 -0.29 0.00 0.50 0.00 0.00 28.75 30.47 3exf h GLU 18 CO 0.44 1.41 -0.82 -1.21 -1.00 0.00 0.00 179.01 177.83 3exf s GLU 19 N -2.60 1.29 0.05 2.33 2.02 -1.26 -5.14 118.70 115.39 3exf s GLU 19 Ca -0.10 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.29 3exf s GLU 19 Cb 0.04 -1.25 0.01 0.00 0.10 0.00 0.00 34.13 33.03 3exf s GLU 19 CO 0.93 0.34 0.07 0.41 0.02 0.00 0.00 175.26 177.04 3exf n GLY 20 N 2.59 1.81 3.75 -1.39 0.00 -1.26 -5.09 105.19 105.61 3exf n GLY 20 Ca -0.15 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.45 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 -2.28 1.97 0.57 1.61 0.04 -1.26 -4.98 135.00 130.67 3exf s PRO 21 Ca 0.06 1.05 -0.21 0.00 0.04 0.00 0.00 61.00 61.93 3exf s PRO 21 Cb -0.00 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 3exf s PRO 21 CO 0.04 -1.81 1.35 -2.14 0.04 0.00 0.00 177.00 174.47 3exf s PRO 22 N -4.92 3.01 0.20 0.56 0.02 -1.26 -4.78 135.00 127.82 3exf s PRO 22 Ca 0.62 2.20 0.24 0.00 0.02 0.00 0.00 61.00 64.08 3exf s PRO 22 Cb -0.17 -2.17 0.36 0.00 0.02 0.00 0.00 34.50 32.54 3exf s PRO 22 CO 0.56 -1.28 1.39 -0.39 -0.33 0.00 0.00 177.00 176.95 3exf h VAL 23 N 1.25 0.00 -3.37 3.83 -1.51 -1.92 -3.45 116.25 111.07 3exf h VAL 23 Ca -0.51 -0.66 -0.67 0.00 -1.23 0.00 0.00 66.70 63.62 3exf h VAL 23 Cb 1.31 1.37 -0.15 0.00 -2.13 0.00 0.00 31.29 31.69 3exf h VAL 23 CO 0.56 0.00 -0.64 0.28 -1.23 0.00 0.00 177.57 176.54 3exf s THR 24 N -3.20 4.18 0.05 7.19 -1.32 -1.26 0.19 115.64 121.47 3exf s THR 24 Ca 0.06 -0.44 -0.02 0.00 -1.21 0.00 0.00 61.69 60.08 3exf s THR 24 Cb 0.11 -2.81 -0.04 0.00 -1.51 0.00 0.00 72.50 68.26 3exf s THR 24 CO 0.70 0.49 -0.01 0.28 -2.21 0.00 0.00 174.62 173.87 3exf s THR 25 N -0.98 0.21 -0.12 5.08 -1.32 -0.72 -4.97 115.64 112.82 3exf s THR 25 Ca 0.16 -1.72 -0.00 0.00 -1.21 0.00 0.00 61.69 58.92 3exf s THR 25 Cb -0.11 -1.45 -0.02 0.00 -1.51 0.00 0.00 72.50 69.40 3exf s THR 25 CO 0.06 -0.95 -0.11 -0.69 -2.21 0.00 0.00 174.62 170.72 3exf s VAL 26 N -3.81 3.25 -0.13 5.08 1.01 -1.26 -0.72 120.40 123.81 3exf s VAL 26 Ca 0.06 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3exf s VAL 26 Cb 0.07 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 34.10 3exf s VAL 26 CO -0.10 0.53 -0.22 -0.22 0.00 0.00 0.00 175.10 175.10 3exf s LEU 27 N 0.10 2.07 0.03 3.92 1.98 0.12 -4.97 118.68 121.93 3exf s LEU 27 Ca -0.05 -0.58 -0.12 0.00 -2.89 0.00 0.00 54.13 50.49 3exf s LEU 27 Cb -0.14 -1.41 -0.06 0.00 0.66 0.00 0.00 46.19 45.24 3exf s LEU 27 CO 0.04 0.08 0.40 0.42 -1.89 0.00 0.00 176.35 175.40 3exf s THR 28 N 0.77 5.07 0.28 3.68 -4.23 -1.26 -1.46 115.64 118.49 3exf s THR 28 Ca -0.08 0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 61.07 3exf s THR 28 Cb -0.16 -3.67 0.31 0.00 1.34 0.00 0.00 72.50 70.32 3exf s THR 28 CO -0.01 0.45 1.63 -0.09 -0.54 0.00 0.00 174.62 176.07 3exf h ARG 29 N 4.28 0.14 -0.09 3.99 2.43 -1.66 0.30 114.38 123.77 3exf h ARG 29 Ca -0.51 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.61 3exf h ARG 29 Cb 1.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3exf h ARG 29 CO 0.63 0.09 -0.17 1.49 -1.51 0.00 0.00 179.97 180.51 3exf h GLU 30 N 0.14 0.14 0.01 0.20 4.81 -1.93 -2.16 114.58 115.79 3exf h GLU 30 Ca 0.51 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.60 3exf h GLU 30 Cb 1.00 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.37 3exf h GLU 30 CO -0.70 0.31 -0.44 -0.44 -0.73 0.00 0.00 179.01 177.01 3exf h ASP 31 N 0.13 0.37 -0.57 1.04 3.32 -1.42 -2.88 116.42 116.41 3exf h ASP 31 Ca 0.03 -0.79 0.12 0.00 0.02 0.00 0.00 57.03 56.40 3exf h ASP 31 Cb 0.38 -0.11 -0.11 0.00 0.22 0.00 0.00 39.33 39.71 3exf h ASP 31 CO 0.02 1.12 -0.10 1.23 -1.72 0.00 0.00 179.24 179.79 3exf h GLY 32 N -0.34 0.47 1.43 2.75 0.00 -0.92 1.58 103.07 108.04 3exf h GLY 32 Ca -0.06 0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 3exf h GLY 32 CO 0.09 -0.21 -0.01 1.41 0.00 0.00 0.00 176.54 177.81 3exf h LEU 33 N 0.03 0.67 -0.21 3.11 4.07 -1.51 -0.33 115.31 121.13 3exf h LEU 33 Ca 0.28 -0.16 -0.11 0.00 0.08 0.00 0.00 57.88 57.98 3exf h LEU 33 Cb 0.44 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.00 3exf h LEU 33 CO -0.56 0.75 -0.29 0.50 -1.08 0.00 0.00 178.44 177.75 3exf h LYS 34 N 0.66 0.57 0.00 1.13 3.64 -0.49 -1.91 116.57 120.18 3exf h LYS 34 Ca 0.13 -0.33 -0.06 0.00 -1.27 0.00 0.00 60.65 59.11 3exf h LYS 34 Cb 0.43 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3exf h LYS 34 CO 0.02 0.94 -0.30 1.88 -2.27 0.00 0.00 179.45 179.72 3exf h TYR 35 N 0.26 0.00 0.02 1.91 0.05 0.23 -1.57 116.97 117.87 3exf h TYR 35 Ca 0.02 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 3exf h TYR 35 Cb 0.87 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.62 3exf h TYR 35 CO 0.08 0.30 -0.27 -0.92 -1.05 0.00 0.00 178.16 176.30 3exf h TYR 36 N 0.00 0.23 -0.79 4.88 3.20 -1.03 -1.76 116.97 121.70 3exf h TYR 36 Ca -0.00 -0.14 0.18 0.00 3.14 0.00 0.00 58.73 61.91 3exf h TYR 36 Cb 0.54 -0.02 -0.12 0.00 1.54 0.00 0.00 36.73 38.67 3exf h TYR 36 CO 0.00 1.01 0.24 -0.09 -1.64 0.00 0.00 178.16 177.68 3exf h ARG 37 N -0.61 0.30 0.61 1.82 2.43 -1.08 -1.39 114.38 116.45 3exf h ARG 37 Ca -0.04 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3exf h ARG 37 Cb 1.10 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.58 3exf h ARG 37 CO 0.05 0.20 -0.29 0.52 -1.51 0.00 0.00 179.97 178.94 3exf h MET 38 N 0.31 -0.78 -0.87 0.20 2.86 -1.27 -0.26 114.93 115.11 3exf h MET 38 Ca 0.46 0.05 0.23 0.00 -2.06 0.00 0.00 59.70 58.39 3exf h MET 38 Cb 0.82 0.18 -0.14 0.00 0.06 0.00 0.00 31.60 32.52 3exf h MET 38 CO -0.52 -0.52 0.19 0.52 1.06 0.00 0.00 176.91 177.64 3exf h MET 39 N -1.03 0.17 0.00 1.72 2.86 -0.95 0.30 114.93 118.00 3exf h MET 39 Ca -0.08 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 3exf h MET 39 Cb 0.62 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 3exf h MET 39 CO 0.14 0.11 -0.27 1.96 1.06 0.00 0.00 176.91 179.91 3exf h GLN 40 N 0.17 0.00 0.04 1.72 1.08 -1.19 0.62 115.11 117.55 3exf h GLN 40 Ca 0.54 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.74 3exf h GLN 40 Cb 1.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 3exf h GLN 40 CO -0.68 0.27 -0.02 1.15 -0.95 0.00 0.00 178.83 178.60 3exf h THR 41 N 0.00 1.28 -0.56 -0.54 2.02 0.14 -2.89 112.91 112.36 3exf h THR 41 Ca -0.00 -1.09 0.06 0.00 0.77 0.00 0.00 66.41 66.15 3exf h THR 41 Cb 0.67 2.00 -0.05 0.00 -1.74 0.00 0.00 68.15 69.03 3exf h THR 41 CO 0.03 0.27 0.27 0.58 0.37 0.00 0.00 175.52 177.05 3exf h VAL 42 N -0.54 0.90 -0.75 3.16 2.07 -1.01 0.12 116.25 120.20 3exf h VAL 42 Ca -0.01 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3exf h VAL 42 Cb 0.49 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3exf h VAL 42 CO 0.01 0.09 0.42 -0.09 0.02 0.00 0.00 177.57 178.03 3exf h ARG 43 N 0.51 1.05 0.00 1.57 9.65 -0.94 -2.48 114.38 123.74 3exf h ARG 43 Ca 0.26 -0.12 -0.20 0.00 -1.10 0.00 0.00 59.98 58.83 3exf h ARG 43 Cb 0.21 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.56 3exf h ARG 43 CO -0.20 0.77 -0.96 0.00 2.80 0.00 0.00 179.97 182.37 3exf h ARG 44 N 1.04 0.00 0.00 0.20 2.47 -1.27 -1.42 114.38 115.40 3exf h ARG 44 Ca 0.27 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.97 3exf h ARG 44 Cb 0.02 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.33 3exf h ARG 44 CO -0.04 0.96 -0.06 1.98 0.56 0.00 0.00 179.97 183.36 3exf h MET 45 N 0.00 0.00 0.08 0.04 1.85 -0.47 -1.78 114.93 114.65 3exf h MET 45 Ca -0.01 0.00 -0.34 0.00 -0.61 0.00 0.00 59.70 58.74 3exf h MET 45 Cb 1.70 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 33.70 3exf h MET 45 CO 0.12 0.06 -1.91 0.39 -0.40 0.00 0.00 176.91 175.17 3exf n GLU 46 N -3.33 0.70 -0.20 0.39 -0.58 -0.96 -2.54 120.64 114.12 3exf n GLU 46 Ca -0.01 0.32 0.14 0.00 -0.42 0.00 0.00 57.16 57.18 3exf n GLU 46 Cb 0.23 -1.69 0.46 0.00 -0.57 0.00 0.00 31.44 29.87 3exf n GLU 46 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3exf h LEU 47 N -0.21 0.48 0.44 -4.62 3.38 -1.24 -2.43 115.31 111.12 3exf h LEU 47 Ca -0.44 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3exf h LEU 47 Cb 1.85 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.53 3exf h LEU 47 CO -0.02 0.25 -0.21 0.50 0.09 0.00 0.00 178.44 179.06 3exf h LYS 48 N 0.52 -0.57 -0.65 1.13 1.63 -1.40 -2.66 116.57 114.56 3exf h LYS 48 Ca 0.39 0.04 0.10 0.00 -0.85 0.00 0.00 60.65 60.33 3exf h LYS 48 Cb 0.77 0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 32.46 3exf h LYS 48 CO -0.14 -0.26 0.27 0.00 -3.45 0.00 0.00 179.45 175.86 3exf h ALA 49 N -0.62 0.87 -0.64 5.00 0.00 -1.38 -0.07 119.26 122.42 3exf h ALA 49 Ca -0.06 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.06 3exf h ALA 49 Cb 0.57 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.28 3exf h ALA 49 CO 0.10 -0.16 -0.11 0.22 0.00 0.00 0.00 179.25 179.30 3exf h ASP 50 N 0.46 -0.50 -0.32 0.00 -0.00 -1.48 0.64 116.42 115.22 3exf h ASP 50 Ca 0.33 0.18 -0.11 0.00 -0.00 0.00 0.00 57.03 57.43 3exf h ASP 50 Cb 0.41 0.36 -0.01 0.00 -0.00 0.00 0.00 39.33 40.09 3exf h ASP 50 CO -0.31 -0.19 -0.24 -0.61 -0.00 0.00 0.00 179.24 177.89 3exf h GLN 51 N 0.03 0.73 0.00 0.28 4.15 -0.87 -1.90 115.11 117.53 3exf h GLN 51 Ca 0.32 -0.36 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 3exf h GLN 51 Cb 0.50 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 3exf h GLN 51 CO -0.63 0.97 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.16 3exf h LEU 52 N 0.50 0.00 0.41 -2.39 3.38 -0.52 -2.37 115.31 114.31 3exf h LEU 52 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3exf h LEU 52 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3exf h LEU 52 CO 0.06 0.01 -0.19 0.22 0.09 0.00 0.00 178.44 178.63 3exf h TYR 53 N 0.00 -0.50 -0.36 1.13 5.03 0.62 -1.21 116.97 121.68 3exf h TYR 53 Ca -0.00 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.40 3exf h TYR 53 Cb 0.12 0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 3exf h TYR 53 CO 0.00 -0.25 0.37 0.87 -1.32 0.00 0.00 178.16 177.84 3exf h LYS 54 N -1.09 0.00 -0.13 1.82 1.57 -0.87 2.06 116.57 119.93 3exf h LYS 54 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3exf h LYS 54 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3exf h LYS 54 CO 0.09 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 180.01 3exf n GLN 55 N -3.78 1.80 0.00 3.15 6.02 -0.94 -4.92 117.38 118.71 3exf n GLN 55 Ca 0.06 -1.19 0.00 0.00 -0.01 0.00 0.00 57.00 55.86 3exf n GLN 55 Cb 0.54 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.36 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 0.42 0.00 -0.46 -1.09 4.76 0.70 -4.83 118.16 117.66 3exf n LYS 56 Ca 0.17 0.00 0.41 0.00 -2.87 0.00 0.00 58.31 56.02 3exf n LYS 56 Cb 0.37 -0.98 0.66 0.00 -1.84 0.00 0.00 35.03 33.24 3exf n LYS 56 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3exf h ILE 57 N 0.00 0.04 -3.02 -0.18 1.08 -1.59 -3.39 117.51 110.45 3exf h ILE 57 Ca 0.00 0.00 -0.62 0.00 -0.39 0.00 0.00 64.86 63.85 3exf h ILE 57 Cb 0.00 0.05 -0.13 0.00 -3.07 0.00 0.00 36.82 33.67 3exf h ILE 57 CO 0.00 0.00 -0.70 -0.63 -0.69 0.00 0.00 178.15 176.13 3exf s ILE 58 N -4.69 3.44 0.22 -0.67 1.01 -0.51 -4.56 121.20 115.45 3exf s ILE 58 Ca -0.04 -1.51 0.00 0.00 0.00 0.00 0.00 60.65 59.11 3exf s ILE 58 Cb 0.21 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 3exf s ILE 58 CO 0.70 -0.08 0.10 -0.13 0.00 0.00 0.00 174.94 175.54 3exf s ARG 59 N -2.80 1.26 7.74 2.79 0.52 -1.26 -4.75 118.95 122.45 3exf s ARG 59 Ca 0.26 -1.66 0.00 0.00 -0.52 0.00 0.00 55.73 53.80 3exf s ARG 59 Cb -0.09 0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.39 3exf s ARG 59 CO 0.16 -0.32 0.00 0.41 0.02 0.00 0.00 175.30 175.57 3exf n GLY 60 N -0.33 3.07 3.90 -3.53 0.00 -1.26 -4.72 105.19 102.31 3exf n GLY 60 Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 3.46 -0.29 1.61 0.08 -1.26 -4.91 117.98 116.66 3exf s PHE 61 Ca 0.00 0.68 -0.04 0.00 0.12 0.00 0.00 56.93 57.69 3exf s PHE 61 Cb 0.00 -2.12 0.19 0.00 -0.57 0.00 0.00 43.02 40.52 3exf s PHE 61 CO 0.00 0.27 0.84 0.00 -0.10 0.00 0.00 175.22 176.23 3exf s HIS 63 N 2.90 3.02 0.33 0.00 3.76 -1.26 -2.13 115.29 121.91 3exf s HIS 63 Ca 0.18 -0.65 0.02 0.00 -0.15 0.00 0.00 55.06 54.46 3exf s HIS 63 Cb -0.06 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.45 3exf s HIS 63 CO -0.23 -0.41 0.51 -0.51 -0.85 0.00 0.00 174.74 173.25 3exf s LEU 64 N 1.41 4.05 -0.39 0.89 1.43 -1.26 -4.64 118.68 120.18 3exf s LEU 64 Ca 0.05 0.30 0.12 0.00 -1.03 0.00 0.00 54.13 53.57 3exf s LEU 64 Cb -0.15 -3.15 0.40 0.00 0.03 0.00 0.00 46.19 43.32 3exf s LEU 64 CO 0.00 -0.29 0.89 0.00 0.23 0.00 0.00 176.35 177.19 3exf s ASP 66 N -2.97 5.80 0.00 0.00 3.84 -1.26 -3.44 116.67 118.64 3exf s ASP 66 Ca 0.38 0.07 0.00 0.00 -0.00 0.00 0.00 52.55 53.00 3exf s ASP 66 Cb 0.39 -2.02 0.00 0.00 -1.38 0.00 0.00 42.92 39.91 3exf s ASP 66 CO -0.06 0.11 0.00 0.61 -0.00 0.00 0.00 175.17 175.83 3exf n GLY 67 N 3.95 1.07 1.57 2.12 0.00 -1.26 -0.37 105.19 112.28 3exf n GLY 67 Ca -0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.93 3exf n GLY 67 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3exf n GLN 68 N -0.04 3.86 0.16 1.61 6.02 -1.21 -4.47 117.38 123.31 3exf n GLN 68 Ca 0.00 -2.64 0.02 0.00 -0.01 0.00 0.00 57.00 54.37 3exf n GLN 68 Cb 0.00 -1.98 0.22 0.00 1.02 0.00 0.00 30.24 29.50 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 3.58 0.00 -0.81 -1.09 3.07 -1.87 -0.79 114.58 116.67 3exf h GLU 69 Ca 0.00 0.00 0.19 0.00 -0.50 0.00 0.00 59.36 59.05 3exf h GLU 69 Cb 1.53 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 29.32 3exf h GLU 69 CO 0.31 0.52 0.26 0.00 -1.40 0.00 0.00 179.01 178.70 3exf h ALA 70 N 1.48 1.16 -3.00 3.43 0.00 -1.78 -2.31 119.26 118.24 3exf h ALA 70 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3exf h ALA 70 Cb 1.06 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3exf h ALA 70 CO 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 178.98 3exf h VAL 73 N 0.16 1.79 -0.96 0.00 2.07 -1.47 -3.02 116.25 114.81 3exf h VAL 73 Ca 0.54 -2.35 0.18 0.00 0.82 0.00 0.00 66.70 65.89 3exf h VAL 73 Cb 1.82 3.38 -0.10 0.00 -1.52 0.00 0.00 31.29 34.87 3exf h VAL 73 CO -0.12 0.61 0.56 1.23 0.02 0.00 0.00 177.57 179.87 3exf h GLY 74 N -0.99 1.69 0.00 2.17 0.00 0.18 0.40 103.07 106.52 3exf h GLY 74 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3exf h GLY 74 CO -0.00 -0.06 0.00 1.04 0.00 0.00 0.00 176.54 177.52 3exf n LEU 75 N -4.80 0.08 -0.33 3.11 4.32 0.68 -2.15 117.00 117.91 3exf n LEU 75 Ca 0.22 0.84 0.24 0.00 -0.02 0.00 0.00 56.01 57.29 3exf n LEU 75 Cb 0.54 -0.41 0.47 0.00 -1.62 0.00 0.00 43.42 42.39 3exf n LEU 75 CO 0.21 -0.41 1.00 -0.08 -1.22 0.00 0.00 177.39 176.89 3exf h GLU 76 N 0.00 0.09 -1.02 3.23 4.57 -1.31 1.12 114.58 121.26 3exf h GLU 76 Ca 0.00 -0.01 0.25 0.00 -1.18 0.00 0.00 59.36 58.43 3exf h GLU 76 Cb 0.00 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.48 3exf h GLU 76 CO 0.00 0.06 0.66 0.00 -1.18 0.00 0.00 179.01 178.55 3exf h ALA 77 N 1.94 2.17 -0.20 2.92 0.00 -0.09 -3.10 119.26 122.90 3exf h ALA 77 Ca 0.74 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.71 3exf h ALA 77 Cb 1.78 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3exf h ALA 77 CO -0.75 -0.57 0.00 0.41 0.00 0.00 0.00 179.25 178.34 3exf n GLY 78 N -1.46 1.87 1.22 0.00 0.00 0.38 -4.99 105.19 102.22 3exf n GLY 78 Ca 0.25 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 3exf n GLY 78 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3exf n ILE 79 N 0.36 0.00 -4.53 -0.61 -5.35 -0.97 -3.73 119.36 104.53 3exf n ILE 79 Ca 0.08 -0.70 -0.27 0.00 -0.27 0.00 0.00 62.75 61.59 3exf n ILE 79 Cb 0.34 -0.35 -0.10 0.00 -1.74 0.00 0.00 39.64 37.79 3exf n ILE 79 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 3exf s ASN 80 N -2.04 3.87 0.30 7.28 0.02 -1.26 -4.96 114.94 118.17 3exf s ASN 80 Ca 0.10 -1.24 0.06 0.00 -1.02 0.00 0.00 52.86 50.76 3exf s ASN 80 Cb -0.01 -0.39 0.83 0.00 0.02 0.00 0.00 41.25 41.69 3exf s ASN 80 CO 0.06 -0.32 1.65 1.55 0.02 0.00 0.00 177.10 180.06 3exf h PRO 81 N 1.87 0.22 0.00 -0.60 0.13 -2.00 -0.49 132.00 131.13 3exf h PRO 81 Ca -0.43 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3exf h PRO 81 Cb 1.25 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3exf h PRO 81 CO 0.74 0.15 0.00 0.25 -0.23 0.00 0.00 178.00 178.91 3exf n THR 82 N -5.19 0.84 -2.16 1.56 -2.24 -1.26 -4.77 114.28 101.07 3exf n THR 82 Ca 0.25 0.29 -0.28 0.00 -2.27 0.00 0.00 64.05 62.03 3exf n THR 82 Cb 0.78 -1.23 0.17 0.00 -2.10 0.00 0.00 70.33 67.94 3exf n THR 82 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3exf s ASP 83 N -4.29 3.38 0.01 3.42 1.01 -0.19 -4.76 116.67 115.23 3exf s ASP 83 Ca 0.03 -0.01 0.05 0.00 0.71 0.00 0.00 52.55 53.34 3exf s ASP 83 Cb 0.09 -0.09 -0.02 0.00 1.01 0.00 0.00 42.92 43.91 3exf s ASP 83 CO 0.38 -2.54 -0.17 -1.00 0.21 0.00 0.00 175.17 172.05 3exf s HIS 84 N -3.68 1.50 -0.02 4.23 3.76 -0.80 -4.90 115.29 115.39 3exf s HIS 84 Ca 0.73 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 55.34 3exf s HIS 84 Cb -0.03 -0.94 0.01 0.00 1.11 0.00 0.00 32.58 32.72 3exf s HIS 84 CO 0.51 0.01 -0.02 -1.17 -0.85 0.00 0.00 174.74 173.21 3exf s LEU 85 N -0.65 1.65 -0.02 0.89 0.20 -1.06 -1.34 118.68 118.35 3exf s LEU 85 Ca 0.06 -0.06 -0.04 0.00 0.69 0.00 0.00 54.13 54.78 3exf s LEU 85 Cb -0.07 -0.23 0.00 0.00 -0.43 0.00 0.00 46.19 45.47 3exf s LEU 85 CO 0.00 -0.01 0.10 -0.51 -0.29 0.00 0.00 176.35 175.63 3exf s ILE 86 N 0.39 0.05 0.25 6.68 2.07 -0.68 -2.54 121.20 127.42 3exf s ILE 86 Ca -0.04 -0.38 -0.04 0.00 -1.41 0.00 0.00 60.65 58.78 3exf s ILE 86 Cb -0.07 -0.27 0.02 0.00 0.13 0.00 0.00 42.46 42.27 3exf s ILE 86 CO -0.01 -0.21 0.41 1.07 -1.91 0.00 0.00 174.94 174.30 3exf n THR 87 N 2.27 0.00 0.00 4.00 5.66 0.76 -1.90 114.28 125.07 3exf n THR 87 Ca -0.18 -1.02 0.00 0.00 -3.05 0.00 0.00 64.05 59.80 3exf n THR 87 Cb 0.57 0.72 0.00 0.00 -1.55 0.00 0.00 70.33 70.08 3exf n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3exf n ALA 88 N -1.40 0.00 0.01 1.79 0.00 -1.26 -2.87 120.51 116.79 3exf n ALA 88 Ca -0.10 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.43 3exf n ALA 88 Cb 0.40 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.97 0.00 0.18 -1.04 0.10 117.16 115.43 3exf n TYR 89 Ca 0.00 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.61 3exf n TYR 89 Cb 0.00 -0.40 -0.13 0.00 -0.38 0.00 0.00 39.34 38.43 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 -2.11 2.18 0.00 -3.48 0.63 -1.26 -4.63 116.66 107.99 3exf n ARG 90 Ca -0.03 -1.17 0.11 0.00 -0.92 0.00 0.00 57.85 55.84 3exf n ARG 90 Cb 0.46 -2.13 0.06 0.00 0.45 0.00 0.00 32.46 31.31 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 2.81 4.02 -0.09 5.13 0.00 -1.26 -4.50 120.51 126.62 3exf n ALA 91 Ca 0.47 -0.51 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 3exf n ALA 91 Cb 0.69 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3exf n ALA 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3exf h HIS 92 N 0.55 -0.08 0.08 0.00 3.86 -1.88 -0.20 115.15 117.48 3exf h HIS 92 Ca 0.00 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.26 3exf h HIS 92 Cb 0.54 0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.06 3exf h HIS 92 CO 0.00 -0.10 -0.27 0.78 0.86 0.00 0.00 177.93 179.20 3exf h GLY 93 N 0.05 -0.48 1.76 2.45 0.00 -1.92 -1.31 103.07 103.62 3exf h GLY 93 Ca 0.16 0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.79 3exf h GLY 93 CO -0.30 -0.22 0.06 0.74 0.00 0.00 0.00 176.54 176.82 3exf h PHE 94 N -0.46 0.32 -0.49 5.60 0.04 -1.78 -1.04 116.94 119.12 3exf h PHE 94 Ca 0.04 -0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.67 3exf h PHE 94 Cb 0.51 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 3exf h PHE 94 CO -0.26 0.28 -0.20 1.15 -0.60 0.00 0.00 178.31 178.68 3exf h THR 95 N 0.32 1.27 -0.14 -1.55 2.02 -0.20 -2.54 112.91 112.09 3exf h THR 95 Ca 0.08 -1.37 -0.19 0.00 0.77 0.00 0.00 66.41 65.70 3exf h THR 95 Cb 0.12 1.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3exf h THR 95 CO -0.00 0.47 -0.66 0.15 0.37 0.00 0.00 175.52 175.85 3exf h PHE 96 N 0.86 0.93 0.00 3.16 3.57 -0.97 -2.69 116.94 121.81 3exf h PHE 96 Ca 0.11 -0.41 0.00 0.00 3.53 0.00 0.00 57.97 61.21 3exf h PHE 96 Cb 0.78 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.37 3exf h PHE 96 CO 0.05 1.22 0.00 0.25 -2.23 0.00 0.00 178.31 177.60 3exf n THR 97 N -4.06 0.34 -0.90 4.41 -2.24 -0.42 -3.17 114.28 108.24 3exf n THR 97 Ca -0.08 0.09 0.08 0.00 -2.27 0.00 0.00 64.05 61.87 3exf n THR 97 Cb 0.69 -0.83 0.23 0.00 -2.10 0.00 0.00 70.33 68.32 3exf n THR 97 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3exf n ARG 98 N -1.18 2.72 0.00 -0.78 5.12 -0.97 -4.93 116.66 116.65 3exf n ARG 98 Ca 0.09 -2.70 0.00 0.00 -1.93 0.00 0.00 57.85 53.31 3exf n ARG 98 Cb 0.10 -1.73 0.00 0.00 -1.16 0.00 0.00 32.46 29.67 3exf n ARG 98 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3exf n GLY 99 N -0.51 0.85 3.72 -0.13 0.00 -1.19 -4.47 105.19 103.47 3exf n GLY 99 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 4.28 0.71 0.99 1.02 -1.03 -5.04 118.68 119.61 3exf s LEU 100 Ca 0.00 0.82 -0.12 0.00 0.02 0.00 0.00 54.13 54.86 3exf s LEU 100 Cb 0.00 -2.70 0.02 0.00 0.02 0.00 0.00 46.19 43.53 3exf s LEU 100 CO 0.00 0.01 1.08 -0.94 0.02 0.00 0.00 176.35 176.51 3exf s SER 101 N 0.59 5.03 0.10 2.29 1.04 -1.26 -4.32 113.70 117.17 3exf s SER 101 Ca 0.26 1.76 -0.18 0.00 0.48 0.00 0.00 55.95 58.27 3exf s SER 101 Cb -0.15 -2.52 -0.06 0.00 0.10 0.00 0.00 66.02 63.39 3exf s SER 101 CO 0.10 -1.68 1.58 0.58 0.98 0.00 0.00 173.24 174.81 3exf h VAL 102 N -0.69 1.23 -0.92 5.02 2.07 -1.96 -2.45 116.25 118.54 3exf h VAL 102 Ca -0.44 -0.77 0.26 0.00 0.82 0.00 0.00 66.70 66.56 3exf h VAL 102 Cb 1.22 1.19 -0.17 0.00 -1.52 0.00 0.00 31.29 32.01 3exf h VAL 102 CO 0.54 0.25 0.03 0.54 0.02 0.00 0.00 177.57 178.96 3exf n ARG 103 N -4.66 -0.07 0.09 1.57 1.74 -1.26 -0.88 116.66 113.18 3exf n ARG 103 Ca -0.03 1.38 -0.22 0.00 -0.77 0.00 0.00 57.85 58.21 3exf n ARG 103 Cb 0.20 -2.19 -0.13 0.00 -1.02 0.00 0.00 32.46 29.32 3exf n ARG 103 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3exf h GLU 104 N 0.00 0.64 0.42 5.56 5.08 -1.74 -1.44 114.58 123.11 3exf h GLU 104 Ca 0.56 -0.84 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3exf h GLU 104 Cb 1.18 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.70 3exf h GLU 104 CO -0.86 1.38 -0.20 0.82 -1.00 0.00 0.00 179.01 179.15 3exf h ILE 105 N 0.30 0.00 -1.05 3.13 2.04 -0.87 -2.45 117.51 118.60 3exf h ILE 105 Ca -0.18 -0.10 0.29 0.00 1.00 0.00 0.00 64.86 65.87 3exf h ILE 105 Cb 1.90 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.85 3exf h ILE 105 CO 0.24 0.00 0.63 -0.07 0.00 0.00 0.00 178.15 178.95 3exf h LEU 106 N -0.67 0.53 -1.60 1.44 3.38 -1.12 0.05 115.31 117.31 3exf h LEU 106 Ca -0.06 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3exf h LEU 106 Cb 0.44 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3exf h LEU 106 CO 0.10 -0.00 -0.20 0.00 0.09 0.00 0.00 178.44 178.42 3exf h ALA 107 N 1.73 1.29 0.18 1.53 0.00 -1.26 -2.27 119.26 120.45 3exf h ALA 107 Ca 0.68 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 55.10 3exf h ALA 107 Cb 1.57 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.35 3exf h ALA 107 CO -0.46 0.26 -1.37 1.49 0.00 0.00 0.00 179.25 179.17 3exf h GLU 108 N 0.00 0.39 -0.49 0.00 4.57 -0.82 -1.22 114.58 117.00 3exf h GLU 108 Ca -0.00 -0.66 0.06 0.00 -1.18 0.00 0.00 59.36 57.57 3exf h GLU 108 Cb 0.48 0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 29.29 3exf h GLU 108 CO 0.03 1.31 0.33 -0.07 -1.18 0.00 0.00 179.01 179.42 3exf h LEU 109 N 0.11 0.38 -2.35 1.64 4.07 -1.04 -1.44 115.31 116.66 3exf h LEU 109 Ca -0.19 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.77 3exf h LEU 109 Cb 2.06 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 43.72 3exf h LEU 109 CO 0.23 0.25 0.00 0.35 -1.08 0.00 0.00 178.44 178.19 3exf n THR 110 N -4.47 0.75 -3.21 0.22 -2.24 -0.89 -4.26 114.28 100.17 3exf n THR 110 Ca 0.06 -0.82 -0.17 0.00 -2.27 0.00 0.00 64.05 60.85 3exf n THR 110 Cb 0.24 0.60 0.01 0.00 -2.10 0.00 0.00 70.33 69.08 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 1.53 -0.91 3.10 3.38 0.00 -0.54 -4.93 105.19 106.82 3exf n GLY 111 Ca 0.21 0.98 -0.12 0.00 0.00 0.00 0.00 46.02 47.09 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 -3.00 0.64 0.21 1.61 1.81 -0.48 -4.57 118.95 115.18 3exf s ARG 112 Ca 0.20 -0.98 -0.09 0.00 -1.72 0.00 0.00 55.73 53.14 3exf s ARG 112 Cb -0.04 -0.24 0.24 0.00 -0.45 0.00 0.00 34.95 34.46 3exf s ARG 112 CO 0.81 0.02 1.83 1.57 -0.68 0.00 0.00 175.30 178.85 3exf h LYS 113 N 3.90 0.77 0.00 3.54 2.10 -1.34 0.30 116.57 125.84 3exf h LYS 113 Ca -0.35 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 3exf h LYS 113 Cb 1.19 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 3exf h LYS 113 CO 0.50 0.51 0.00 0.41 -2.00 0.00 0.00 179.45 178.87 3exf n GLY 114 N -1.30 -0.52 3.77 0.07 0.00 -1.26 -4.37 105.19 101.59 3exf n GLY 114 Ca 0.09 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3exf n GLY 114 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3exf s GLY 115 N -1.80 1.60 0.29 -0.02 0.00 0.10 -4.71 107.32 102.78 3exf s GLY 115 Ca 0.15 -0.33 0.13 0.00 0.00 0.00 0.00 44.72 44.68 3exf s GLY 115 CO 0.12 0.18 1.58 0.00 0.00 0.00 0.00 173.10 174.98 3exf n ALA 117 N -2.34 3.98 -2.25 0.00 0.00 -1.26 -4.91 120.51 113.73 3exf n ALA 117 Ca -0.00 -1.82 -0.17 0.00 0.00 0.00 0.00 53.44 51.45 3exf n ALA 117 Cb 0.64 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 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 0.28 -1.81 -0.65 0.00 5.02 -0.83 -1.05 118.16 119.13 3exf n LYS 118 Ca 0.29 0.87 0.00 0.00 -2.02 0.00 0.00 58.31 57.45 3exf n LYS 118 Cb 1.16 -5.45 0.00 0.00 -0.02 0.00 0.00 35.03 30.71 3exf n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3exf n GLY 119 N -0.82 1.54 0.15 0.72 0.00 -1.23 -4.69 105.19 100.87 3exf n GLY 119 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 2.81 0.37 0.00 1.61 1.79 -1.46 -3.39 116.57 118.31 3exf h LYS 120 Ca 0.00 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 3exf h LYS 120 Cb 0.00 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3exf h LYS 120 CO 0.00 1.07 -0.51 0.41 -1.08 0.00 0.00 179.45 179.34 3exf n GLY 121 N 0.91 0.00 7.00 3.86 0.00 -1.26 -5.10 105.19 110.60 3exf n GLY 121 Ca -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3exf n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3exf n GLY 122 N 1.26 0.94 0.31 -0.02 0.00 -1.26 -3.79 105.19 102.63 3exf n GLY 122 Ca 0.02 -0.77 0.16 0.00 0.00 0.00 0.00 46.02 45.44 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 2.40 0.00 0.09 1.61 0.87 -1.80 -3.09 113.55 113.63 3exf h SER 123 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3exf h SER 123 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3exf h SER 123 CO 0.00 0.00 -1.20 0.23 -0.53 0.00 0.00 176.83 175.33 3exf n MET 124 N -3.77 0.19 -2.70 2.24 2.81 -1.26 -4.65 117.12 109.98 3exf n MET 124 Ca -0.01 -0.05 -0.22 0.00 -1.81 0.00 0.00 57.70 55.61 3exf n MET 124 Cb 0.17 -1.52 -0.00 0.00 -0.71 0.00 0.00 33.22 31.15 3exf n MET 124 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3exf n HIS 125 N -1.74 2.63 -3.46 2.03 -0.00 -1.17 -2.87 115.22 110.64 3exf n HIS 125 Ca 0.02 -3.31 -0.37 0.00 -0.00 0.00 0.00 57.72 54.06 3exf n HIS 125 Cb 0.40 -0.28 -0.06 0.00 -0.00 0.00 0.00 29.99 30.05 3exf n HIS 125 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3exf s MET 126 N -3.30 4.18 0.23 -0.41 1.00 -1.26 -4.69 119.30 115.06 3exf s MET 126 Ca 0.42 0.29 0.10 0.00 0.00 0.00 0.00 55.69 56.50 3exf s MET 126 Cb 0.38 -3.37 -0.05 0.00 0.00 0.00 0.00 34.83 31.79 3exf s MET 126 CO -0.11 0.33 -0.19 0.71 0.00 0.00 0.00 175.02 175.76 3exf s TYR 127 N 0.11 2.07 0.23 -0.03 1.51 -1.26 -3.60 117.35 116.38 3exf s TYR 127 Ca 0.21 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 3exf s TYR 127 Cb -0.15 -0.94 -0.00 0.00 -0.11 0.00 0.00 41.96 40.76 3exf s TYR 127 CO 0.08 0.54 0.29 0.00 -1.11 0.00 0.00 175.55 175.36 3exf n ALA 128 N -0.33 -0.05 -1.78 3.71 0.00 -0.55 -4.96 120.51 116.56 3exf n ALA 128 Ca -0.08 -1.13 -0.41 0.00 0.00 0.00 0.00 53.44 51.82 3exf n ALA 128 Cb 0.59 0.91 -0.03 0.00 0.00 0.00 0.00 19.45 20.93 3exf n ALA 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3exf s LYS 129 N -2.62 2.95 -1.31 0.00 2.47 -1.26 -2.14 119.74 117.83 3exf s LYS 129 Ca 0.21 1.56 0.00 0.00 -1.56 0.00 0.00 55.97 56.18 3exf s LYS 129 Cb -0.00 -4.36 0.00 0.00 -1.46 0.00 0.00 37.83 32.01 3exf s LYS 129 CO 0.15 -2.31 0.00 0.09 0.16 0.00 0.00 175.35 173.44 3exf n ASN 130 N 12.12 -4.44 -4.04 1.43 5.03 -1.26 -4.98 115.26 119.12 3exf n ASN 130 Ca 0.28 0.25 -0.24 0.00 0.87 0.00 0.00 54.58 55.73 3exf n ASN 130 Cb 0.48 -3.20 -0.16 0.00 -1.02 0.00 0.00 39.78 35.88 3exf n ASN 130 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3exf s PHE 131 N -2.51 1.43 -0.20 3.10 5.36 -0.91 -2.56 117.98 121.68 3exf s PHE 131 Ca 0.00 -0.48 0.14 0.00 -0.96 0.00 0.00 56.93 55.63 3exf s PHE 131 Cb 0.00 -1.02 0.44 0.00 -0.34 0.00 0.00 43.02 42.10 3exf s PHE 131 CO 0.00 -0.22 1.19 0.66 -1.46 0.00 0.00 175.22 175.39 3exf n TYR 132 N 3.59 0.89 0.00 10.12 4.02 -1.05 -1.48 117.16 133.25 3exf n TYR 132 Ca -0.21 -1.60 0.00 0.00 -0.01 0.00 0.00 57.90 56.08 3exf n TYR 132 Cb 0.52 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 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 -0.69 1.63 1.10 2.72 0.00 -1.24 -4.71 105.19 104.01 3exf n GLY 133 Ca 0.23 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 1.87 0.81 2.90 -0.02 0.00 0.12 -0.17 105.19 110.69 3exf n GLY 134 Ca 0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 3exf n GLY 134 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3exf s ASN 135 N -2.74 0.65 -0.00 1.61 0.01 0.51 -4.41 114.94 110.56 3exf s ASN 135 Ca 0.00 -0.09 0.09 0.00 -0.71 0.00 0.00 52.86 52.15 3exf s ASN 135 Cb 0.00 -0.23 -0.10 0.00 0.41 0.00 0.00 41.25 41.33 3exf s ASN 135 CO 0.00 -0.02 0.36 0.61 -1.51 0.00 0.00 177.10 176.55 3exf n GLY 136 N 3.62 0.12 3.57 0.66 0.00 -1.26 -2.50 105.19 109.40 3exf n GLY 136 Ca -0.21 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.89 4.70 0.58 -0.61 -1.09 -1.26 -5.00 121.20 116.63 3exf s ILE 137 Ca 0.03 0.74 -0.20 0.00 -2.23 0.00 0.00 60.65 58.98 3exf s ILE 137 Cb 0.07 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 3exf s ILE 137 CO 0.37 -0.53 1.26 0.52 -1.23 0.00 0.00 174.94 175.33 3exf n VAL 138 N 5.91 4.08 -0.22 2.92 0.31 -1.26 -2.30 118.33 127.77 3exf n VAL 138 Ca 0.03 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 3exf n VAL 138 Cb 0.48 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 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 0.91 0.71 0.09 2.92 0.00 -1.26 -4.74 105.19 103.81 3exf n GLY 139 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 0.80 2.36 1.08 4.61 0.00 -0.97 -2.78 120.51 125.60 3exf n ALA 140 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.50 3exf n ALA 140 Cb 0.00 -1.44 0.21 0.00 0.00 0.00 0.00 19.45 18.22 3exf n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3exf n GLN 141 N -2.16 0.39 0.07 0.00 0.00 -1.26 -3.92 117.38 110.49 3exf n GLN 141 Ca 0.06 -0.26 -0.12 0.00 0.00 0.00 0.00 57.00 56.68 3exf n GLN 141 Cb 0.42 -1.49 -0.08 0.00 0.00 0.00 0.00 30.24 29.08 3exf n GLN 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3exf h VAL 142 N 0.63 0.94 -0.90 -0.39 2.07 -1.82 -0.80 116.25 115.97 3exf h VAL 142 Ca 0.00 -1.00 0.12 0.00 0.82 0.00 0.00 66.70 66.65 3exf h VAL 142 Cb 0.53 1.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.71 3exf h VAL 142 CO 0.00 0.21 0.53 -0.65 0.02 0.00 0.00 177.57 177.68 3exf h PRO 143 N -0.75 0.79 -0.21 1.57 0.11 -1.76 0.60 132.00 132.35 3exf h PRO 143 Ca -0.02 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.07 3exf h PRO 143 Cb 0.52 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 3exf h PRO 143 CO 0.04 0.52 0.03 -0.07 -0.21 0.00 0.00 178.00 178.31 3exf h LEU 144 N 0.81 -0.01 -1.15 2.35 3.38 -1.66 0.11 115.31 119.13 3exf h LEU 144 Ca 0.46 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.52 3exf h LEU 144 Cb 0.51 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 3exf h LEU 144 CO -0.29 0.02 0.58 1.23 0.09 0.00 0.00 178.44 180.07 3exf h GLY 145 N 0.11 1.29 1.42 0.83 0.00 -0.42 0.15 103.07 106.44 3exf h GLY 145 Ca 0.10 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 3exf h GLY 145 CO -0.14 0.33 -0.11 0.00 0.00 0.00 0.00 176.54 176.62 3exf h ALA 146 N 1.50 1.08 -0.53 3.60 0.00 0.22 -0.67 119.26 124.46 3exf h ALA 146 Ca 0.37 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3exf h ALA 146 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3exf h ALA 146 CO -0.13 0.57 0.06 0.78 0.00 0.00 0.00 179.25 180.53 3exf h GLY 147 N 0.97 0.91 0.96 0.00 0.00 0.60 -0.51 103.07 106.00 3exf h GLY 147 Ca 0.11 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3exf h GLY 147 CO 0.03 0.54 -0.40 -2.22 0.00 0.00 0.00 176.54 174.49 3exf h ILE 148 N 0.80 0.13 -0.45 2.60 2.04 -0.24 -1.11 117.51 121.28 3exf h ILE 148 Ca 0.16 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 66.02 3exf h ILE 148 Cb 0.40 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 3exf h ILE 148 CO 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 177.98 3exf n ALA 149 N -2.62 -0.08 -0.27 1.87 0.00 -0.31 0.79 120.51 119.89 3exf n ALA 149 Ca -0.15 0.44 0.03 0.00 0.00 0.00 0.00 53.44 53.76 3exf n ALA 149 Cb 0.45 -0.18 0.16 0.00 0.00 0.00 0.00 19.45 19.88 3exf n ALA 149 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3exf h LEU 150 N 0.00 0.58 -0.25 0.00 5.85 -0.45 -1.21 115.31 119.84 3exf h LEU 150 Ca 0.15 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 3exf h LEU 150 Cb 0.26 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3exf h LEU 150 CO -0.45 0.33 -0.11 0.00 -0.34 0.00 0.00 178.44 177.87 3exf h ALA 151 N 1.45 0.35 -0.10 1.25 0.00 0.16 0.86 119.26 123.23 3exf h ALA 151 Ca 0.38 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3exf h ALA 151 Cb 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3exf h ALA 151 CO -0.26 0.20 -0.15 0.00 0.00 0.00 0.00 179.25 179.03 3exf h LYS 153 N -0.12 0.27 0.06 0.00 3.64 -1.22 0.21 116.57 119.42 3exf h LYS 153 Ca 0.02 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 3exf h LYS 153 Cb 0.17 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3exf h LYS 153 CO -0.16 0.18 -1.09 -0.92 -2.27 0.00 0.00 179.45 175.18 3exf h TYR 154 N 0.27 0.32 0.00 1.91 5.03 0.86 -2.80 116.97 122.56 3exf h TYR 154 Ca 0.75 -0.22 0.00 0.00 2.58 0.00 0.00 58.73 61.84 3exf h TYR 154 Cb 1.78 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 40.04 3exf h TYR 154 CO -0.01 1.14 0.00 -0.91 -1.32 0.00 0.00 178.16 177.06 3exf h ASN 155 N 0.06 0.00 -4.19 -2.11 2.35 0.14 -3.47 115.58 108.37 3exf h ASN 155 Ca -0.08 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.31 3exf h ASN 155 Cb 1.81 0.00 0.06 0.00 0.05 0.00 0.00 38.32 40.25 3exf h ASN 155 CO 0.17 0.00 -0.55 0.61 -1.65 0.00 0.00 177.43 176.01 3exf n GLY 156 N 0.84 -0.39 0.80 2.83 0.00 -0.02 -4.93 105.19 104.32 3exf n GLY 156 Ca 0.04 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.78 2.09 -2.10 1.61 5.02 -1.23 -4.96 118.16 114.80 3exf n LYS 157 Ca -0.09 -1.60 -0.11 0.00 -2.02 0.00 0.00 58.31 54.49 3exf n LYS 157 Cb 0.60 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 34.13 3exf n LYS 157 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3exf n ASP 158 N 0.90 -3.72 -4.79 4.39 2.03 -1.26 -5.02 116.55 109.07 3exf n ASP 158 Ca 0.17 0.02 -0.24 0.00 0.52 0.00 0.00 54.79 55.26 3exf n ASP 158 Cb 0.50 -2.86 0.08 0.00 -0.72 0.00 0.00 41.12 38.11 3exf n ASP 158 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3exf s GLU 159 N -4.36 1.99 0.34 -0.67 2.02 -1.26 -4.89 118.70 111.87 3exf s GLU 159 Ca 0.00 -0.66 0.05 0.00 0.02 0.00 0.00 54.97 54.39 3exf s GLU 159 Cb 0.00 -2.27 -0.03 0.00 0.10 0.00 0.00 34.13 31.93 3exf s GLU 159 CO 0.00 -1.28 0.22 0.14 0.02 0.00 0.00 175.26 174.36 3exf s VAL 160 N -3.15 0.18 -0.06 2.63 -7.23 -1.26 -4.75 120.40 106.75 3exf s VAL 160 Ca 0.62 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.77 3exf s VAL 160 Cb -0.08 -2.46 0.04 0.00 0.56 0.00 0.00 36.38 34.44 3exf s VAL 160 CO 0.44 0.00 0.11 0.00 -0.31 0.00 0.00 175.10 175.34 3exf s LEU 162 N 1.78 4.11 -0.32 0.00 1.02 -0.45 0.54 118.68 125.36 3exf s LEU 162 Ca -0.02 0.36 0.01 0.00 0.02 0.00 0.00 54.13 54.50 3exf s LEU 162 Cb -0.12 -2.40 0.10 0.00 0.02 0.00 0.00 46.19 43.79 3exf s LEU 162 CO -0.05 -0.08 0.07 -0.89 0.02 0.00 0.00 176.35 175.43 3exf s THR 163 N 1.49 1.45 0.15 5.49 2.01 -0.43 -1.69 115.64 124.10 3exf s THR 163 Ca 0.15 -1.76 -0.11 0.00 0.31 0.00 0.00 61.69 60.28 3exf s THR 163 Cb -0.15 -2.07 -0.07 0.00 0.01 0.00 0.00 72.50 70.23 3exf s THR 163 CO 0.08 -0.62 0.50 -0.76 -0.69 0.00 0.00 174.62 173.13 3exf s LEU 164 N 1.33 4.30 0.09 4.42 1.02 -0.80 -2.05 118.68 126.99 3exf s LEU 164 Ca 0.10 0.94 -0.03 0.00 0.02 0.00 0.00 54.13 55.15 3exf s LEU 164 Cb -0.18 -3.29 -0.03 0.00 0.02 0.00 0.00 46.19 42.71 3exf s LEU 164 CO -0.18 0.08 0.07 -0.72 0.02 0.00 0.00 176.35 175.62 3exf s TYR 165 N -1.54 0.52 0.61 0.29 1.13 -0.58 -4.20 117.35 113.59 3exf s TYR 165 Ca 0.39 -0.98 0.04 0.00 -1.41 0.00 0.00 57.07 55.10 3exf s TYR 165 Cb -0.14 -0.31 0.08 0.00 -1.10 0.00 0.00 41.96 40.49 3exf s TYR 165 CO 0.20 -0.48 0.84 0.20 -2.51 0.00 0.00 175.55 173.79 3exf s GLY 166 N -2.95 1.79 0.46 5.49 0.00 -1.26 -0.44 107.32 110.41 3exf s GLY 166 Ca 0.12 -1.75 0.15 0.00 0.00 0.00 0.00 44.72 43.24 3exf s GLY 166 CO -0.06 -1.32 2.02 1.29 0.00 0.00 0.00 173.10 175.03 3exf h ASP 167 N -0.07 0.01 1.06 1.64 3.04 -1.77 -1.24 116.42 119.09 3exf h ASP 167 Ca -0.36 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.43 3exf h ASP 167 Cb 1.28 -0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 3exf h ASP 167 CO 0.43 0.15 -0.21 0.61 -2.04 0.00 0.00 179.24 178.19 3exf n GLY 168 N -1.11 -1.52 0.04 7.15 0.00 -1.26 -3.19 105.19 105.30 3exf n GLY 168 Ca -0.03 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.97 3exf n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3exf n ALA 169 N -1.67 3.30 0.92 4.61 0.00 -0.49 -4.18 120.51 123.01 3exf n ALA 169 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3exf n ALA 169 Cb 0.39 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.76 2.40 -0.36 0.00 0.00 -1.08 -2.05 120.51 117.66 3exf n ALA 170 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3exf n ALA 170 Cb 0.42 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3exf n ALA 170 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3exf n ASN 171 N 0.29 0.56 -4.75 0.00 3.02 -1.26 -5.04 115.26 108.07 3exf n ASN 171 Ca 0.00 -0.94 -0.41 0.00 -0.03 0.00 0.00 54.58 53.20 3exf n ASN 171 Cb 0.35 0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 3exf n ASN 171 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3exf s GLN 172 N -0.05 4.41 0.19 3.52 -1.52 -0.87 -4.88 119.66 120.46 3exf s GLN 172 Ca 0.00 2.10 -0.12 0.00 -1.95 0.00 0.00 55.36 55.38 3exf s GLN 172 Cb 0.00 -3.14 0.11 0.00 -0.22 0.00 0.00 33.01 29.77 3exf s GLN 172 CO 0.00 -0.16 1.86 0.78 -0.25 0.00 0.00 175.29 177.52 3exf h GLY 173 N 4.26 0.90 1.61 3.09 0.00 -1.96 -2.90 103.07 108.07 3exf h GLY 173 Ca -0.47 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 46.56 3exf h GLY 173 CO 0.71 0.33 0.16 0.06 0.00 0.00 0.00 176.54 177.79 3exf h GLN 174 N 0.86 0.00 -0.27 4.80 3.07 -1.90 -0.39 115.11 121.30 3exf h GLN 174 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.98 3exf h GLN 174 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.45 3exf h GLN 174 CO -0.05 0.00 0.18 0.82 0.09 0.00 0.00 178.83 179.86 3exf h ILE 175 N 0.00 1.07 -0.30 1.86 5.03 -1.76 -2.39 117.51 121.02 3exf h ILE 175 Ca 0.06 -0.13 -0.14 0.00 -0.12 0.00 0.00 64.86 64.53 3exf h ILE 175 Cb 0.38 0.68 -0.01 0.00 -3.03 0.00 0.00 36.82 34.84 3exf h ILE 175 CO -0.00 0.07 -0.40 -0.26 -0.68 0.00 0.00 178.15 176.88 3exf h PHE 176 N 0.36 0.84 0.33 1.37 -1.00 -1.22 0.45 116.94 118.07 3exf h PHE 176 Ca 0.10 -0.25 -0.01 0.00 2.81 0.00 0.00 57.97 60.62 3exf h PHE 176 Cb -0.04 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.32 3exf h PHE 176 CO -0.06 0.99 -0.42 0.93 -1.61 0.00 0.00 178.31 178.14 3exf h GLU 177 N 0.58 -0.74 -0.85 1.51 5.08 -1.62 -2.87 114.58 115.67 3exf h GLU 177 Ca 0.05 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.62 3exf h GLU 177 Cb 0.94 0.17 -0.16 0.00 0.50 0.00 0.00 28.75 30.20 3exf h GLU 177 CO 0.09 -0.49 -0.28 0.00 -1.00 0.00 0.00 179.01 177.33 3exf h ALA 178 N -0.98 0.38 -1.03 3.43 0.00 -0.91 0.12 119.26 120.27 3exf h ALA 178 Ca -0.04 0.30 0.26 0.00 0.00 0.00 0.00 54.91 55.42 3exf h ALA 178 Cb 0.69 0.76 -0.09 0.00 0.00 0.00 0.00 17.79 19.15 3exf h ALA 178 CO -0.10 -0.49 0.66 1.88 0.00 0.00 0.00 179.25 181.20 3exf h TYR 179 N -0.03 0.68 0.11 0.00 0.05 0.07 -0.46 116.97 117.39 3exf h TYR 179 Ca 0.37 0.02 -0.29 0.00 0.05 0.00 0.00 58.73 58.89 3exf h TYR 179 Cb 0.61 -0.20 0.02 0.00 1.01 0.00 0.00 36.73 38.18 3exf h TYR 179 CO -0.72 0.08 -1.21 -0.97 -1.05 0.00 0.00 178.16 174.29 3exf h ASN 180 N 0.42 0.77 -0.23 3.88 -1.24 -0.56 -1.80 115.58 116.82 3exf h ASN 180 Ca 0.58 -0.71 -0.18 0.00 0.71 0.00 0.00 56.30 56.70 3exf h ASN 180 Cb 1.44 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 40.24 3exf h ASN 180 CO -0.30 1.53 -0.54 0.24 -1.29 0.00 0.00 177.43 177.07 3exf h MET 181 N 0.24 0.82 -0.69 6.67 2.86 -1.24 -1.03 114.93 122.56 3exf h MET 181 Ca -0.17 -0.52 0.13 0.00 -2.06 0.00 0.00 59.70 57.09 3exf h MET 181 Cb 1.88 0.06 -0.09 0.00 0.06 0.00 0.00 31.60 33.51 3exf h MET 181 CO 0.22 1.15 0.22 0.00 1.06 0.00 0.00 176.91 179.56 3exf h ALA 182 N 0.75 0.91 0.11 6.32 0.00 -1.05 0.20 119.26 126.50 3exf h ALA 182 Ca 0.02 0.13 -0.27 0.00 0.00 0.00 0.00 54.91 54.78 3exf h ALA 182 Cb 1.14 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3exf h ALA 182 CO 0.12 -0.26 -1.41 0.00 0.00 0.00 0.00 179.25 177.70 3exf h ALA 183 N 1.53 0.18 -0.52 0.00 0.00 -1.28 0.63 119.26 119.79 3exf h ALA 183 Ca 0.37 -1.09 0.09 0.00 0.00 0.00 0.00 54.91 54.28 3exf h ALA 183 Cb 0.57 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 3exf h ALA 183 CO -0.41 0.83 0.10 1.25 0.00 0.00 0.00 179.25 181.01 3exf h LEU 184 N -0.32 -0.01 -1.46 0.00 5.85 -1.03 -2.10 115.31 116.24 3exf h LEU 184 Ca -0.30 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3exf h LEU 184 Cb 1.75 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.91 3exf h LEU 184 CO 0.05 0.02 0.00 0.79 -0.34 0.00 0.00 178.44 178.96 3exf n TRP 185 N -5.12 0.13 -3.34 1.25 8.01 0.69 -4.98 117.44 114.08 3exf n TRP 185 Ca 0.06 -0.06 -0.17 0.00 -1.31 0.00 0.00 57.50 56.02 3exf n TRP 185 Cb 0.26 0.00 0.07 0.00 -2.01 0.00 0.00 31.31 29.63 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 0.73 -3.03 -2.95 -0.99 5.02 -0.79 -4.98 118.16 111.16 3exf n LYS 186 Ca 0.17 0.82 -0.40 0.00 -2.02 0.00 0.00 58.31 56.88 3exf n LYS 186 Cb 0.45 -5.66 -0.06 0.00 -0.02 0.00 0.00 35.03 29.74 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 -5.71 4.55 0.00 -0.35 1.43 0.15 -4.18 118.68 114.57 3exf s LEU 187 Ca 0.36 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 3exf s LEU 187 Cb -0.06 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.85 3exf s LEU 187 CO 0.75 0.13 0.43 -0.81 0.23 0.00 0.00 176.35 177.08 3exf n PRO 188 N 2.02 0.00 -3.97 1.29 -0.04 -1.26 -1.75 135.00 131.29 3exf n PRO 188 Ca -0.04 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.08 3exf n PRO 188 Cb 0.49 -1.42 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 3exf n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3exf s ILE 190 N 1.36 5.12 -0.17 0.00 1.01 0.19 -2.60 121.20 126.10 3exf s ILE 190 Ca 0.02 1.01 -0.12 0.00 0.00 0.00 0.00 60.65 61.56 3exf s ILE 190 Cb -0.16 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 3exf s ILE 190 CO -0.05 0.22 0.23 -0.36 0.00 0.00 0.00 174.94 174.98 3exf s PHE 191 N 1.30 3.46 -0.07 3.97 0.08 -0.20 -1.32 117.98 125.21 3exf s PHE 191 Ca 0.26 0.51 0.02 0.00 0.12 0.00 0.00 56.93 57.84 3exf s PHE 191 Cb -0.15 -2.25 0.02 0.00 -0.57 0.00 0.00 43.02 40.06 3exf s PHE 191 CO 0.10 0.30 -0.10 0.42 -0.10 0.00 0.00 175.22 175.84 3exf s ILE 192 N 0.28 1.04 -0.28 0.64 1.01 -0.87 0.98 121.20 124.01 3exf s ILE 192 Ca 0.14 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 3exf s ILE 192 Cb -0.12 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.37 3exf s ILE 192 CO 0.02 0.34 0.05 0.00 0.00 0.00 0.00 174.94 175.36 3exf s GLU 194 N 1.50 3.37 -0.62 0.00 2.02 0.42 -1.30 118.70 124.09 3exf s GLU 194 Ca 0.03 -1.09 -0.26 0.00 0.02 0.00 0.00 54.97 53.68 3exf s GLU 194 Cb -0.17 -4.68 0.04 0.00 0.10 0.00 0.00 34.13 29.43 3exf s GLU 194 CO 0.01 -1.94 1.11 1.21 0.02 0.00 0.00 175.26 175.67 3exf s ASN 195 N 3.96 6.31 -0.14 -0.19 3.84 -0.70 -2.33 114.94 125.70 3exf s ASN 195 Ca 0.32 -0.30 0.15 0.00 0.21 0.00 0.00 52.86 53.25 3exf s ASN 195 Cb -0.08 -2.50 0.44 0.00 -0.55 0.00 0.00 41.25 38.55 3exf s ASN 195 CO 0.01 -1.48 1.34 -0.46 -2.79 0.00 0.00 177.10 173.71 3exf n ASN 196 N 8.27 3.42 0.00 -4.21 0.23 -1.26 -0.26 115.26 121.45 3exf n ASN 196 Ca 0.04 -2.84 0.00 0.00 -0.53 0.00 0.00 54.58 51.25 3exf n ASN 196 Cb 0.48 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 3exf n ASN 196 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3exf n ARG 197 N -0.50 0.00 -4.06 -3.83 1.74 -1.26 -4.45 116.66 104.29 3exf n ARG 197 Ca 0.18 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.14 3exf n ARG 197 Cb 0.76 -1.69 -0.11 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.77 0.61 -0.56 -1.55 2.02 -1.26 -1.76 117.35 112.08 3exf s TYR 198 Ca 0.00 -0.56 0.04 0.00 -0.37 0.00 0.00 57.07 56.18 3exf s TYR 198 Cb 0.00 -0.37 0.16 0.00 -0.40 0.00 0.00 41.96 41.35 3exf s TYR 198 CO 0.00 -0.12 0.39 0.20 -1.57 0.00 0.00 175.55 174.45 3exf s GLY 199 N -1.73 2.15 0.00 0.71 0.00 0.08 -4.59 107.32 103.94 3exf s GLY 199 Ca -0.09 -3.15 0.00 0.00 0.00 0.00 0.00 44.72 41.48 3exf s GLY 199 CO -0.01 1.48 0.00 -0.13 0.00 0.00 0.00 173.10 174.44 3exf n MET 200 N 2.59 0.00 -0.02 2.90 0.00 -1.26 -2.91 117.12 118.42 3exf n MET 200 Ca 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 57.70 57.88 3exf n MET 200 Cb 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.56 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 -0.28 3.62 -5.12 0.00 -1.26 -4.53 105.19 97.62 3exf n GLY 201 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.21 4.48 0.33 2.61 2.01 -1.15 -4.78 115.64 116.94 3exf s THR 202 Ca -0.03 1.50 -0.28 0.00 0.31 0.00 0.00 61.69 63.20 3exf s THR 202 Cb 0.02 -4.42 -0.10 0.00 0.01 0.00 0.00 72.50 68.01 3exf s THR 202 CO 0.24 -0.58 1.18 0.00 -0.69 0.00 0.00 174.62 174.77 3exf s ALA 203 N 3.73 3.37 0.05 7.40 0.00 -1.26 -0.74 121.76 134.32 3exf s ALA 203 Ca 0.44 1.03 -0.05 0.00 0.00 0.00 0.00 51.96 53.38 3exf s ALA 203 Cb -0.11 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.66 3exf s ALA 203 CO 0.19 -0.41 0.40 1.33 0.00 0.00 0.00 175.76 177.27 3exf n VAL 204 N 0.77 -0.15 0.50 0.00 0.24 -0.72 0.12 118.33 119.10 3exf n VAL 204 Ca 0.01 0.61 0.08 0.00 -2.04 0.00 0.00 64.34 63.00 3exf n VAL 204 Cb 0.44 -0.79 0.35 0.00 -1.47 0.00 0.00 33.84 32.38 3exf n VAL 204 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3exf n GLU 205 N -4.36 0.03 0.05 7.34 0.00 -1.26 -2.26 120.64 120.18 3exf n GLU 205 Ca 0.02 0.27 0.12 0.00 0.00 0.00 0.00 57.16 57.57 3exf n GLU 205 Cb 0.09 -1.56 0.20 0.00 0.00 0.00 0.00 31.44 30.17 3exf n GLU 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3exf n ARG 206 N -1.63 0.23 0.00 3.44 1.74 0.33 -4.30 116.66 116.47 3exf n ARG 206 Ca 0.03 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3exf n ARG 206 Cb 0.19 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 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 -1.75 1.84 -3.00 7.54 0.00 -1.15 -5.01 120.51 118.98 3exf n ALA 207 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 3exf n ALA 207 Cb 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.70 3exf n ALA 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3exf s ALA 208 N -1.42 1.88 0.23 0.00 0.00 -0.96 -5.02 121.76 116.48 3exf s ALA 208 Ca 0.00 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3exf s ALA 208 Cb 0.00 -0.65 0.25 0.00 0.00 0.00 0.00 23.12 22.72 3exf s ALA 208 CO 0.00 0.31 1.58 0.00 0.00 0.00 0.00 175.76 177.65 3exf h ALA 209 N 6.40 0.86 -4.16 0.00 0.00 -1.90 -3.41 119.26 117.06 3exf h ALA 209 Ca -0.28 -0.49 -0.65 0.00 0.00 0.00 0.00 54.91 53.49 3exf h ALA 209 Cb 1.19 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.59 3exf h ALA 209 CO 0.47 0.68 -0.87 0.45 0.00 0.00 0.00 179.25 179.98 3exf s SER 210 N -6.89 2.75 -0.30 0.00 0.15 -1.26 -5.03 113.70 103.11 3exf s SER 210 Ca -0.06 -0.45 0.10 0.00 0.70 0.00 0.00 55.95 56.25 3exf s SER 210 Cb 0.12 -0.60 0.58 0.00 -1.71 0.00 0.00 66.02 64.41 3exf s SER 210 CO 0.81 0.24 1.60 0.35 1.20 0.00 0.00 173.24 177.44 3exf n THR 211 N 2.84 2.69 -3.39 6.45 -2.24 -1.26 -4.77 114.28 114.59 3exf n THR 211 Ca -0.17 -2.25 -0.41 0.00 -2.27 0.00 0.00 64.05 58.95 3exf n THR 211 Cb 0.52 -0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.86 5.18 0.23 3.42 8.00 -1.26 -4.90 116.55 126.37 3exf n ASP 212 Ca 0.37 -3.13 0.11 0.00 0.71 0.00 0.00 54.79 52.85 3exf n ASP 212 Cb 1.19 -1.24 0.52 0.00 -0.02 0.00 0.00 41.12 41.57 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 6.19 0.00 0.00 1.24 0.05 -2.00 -1.35 116.97 121.10 3exf h TYR 213 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 3exf h TYR 213 Cb 0.81 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.55 3exf h TYR 213 CO 0.77 0.18 0.00 2.48 -1.05 0.00 0.00 178.16 180.55 3exf n TYR 214 N -3.37 0.00 0.33 4.88 4.11 -1.26 -2.68 117.16 119.18 3exf n TYR 214 Ca -0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.94 3exf n TYR 214 Cb 0.39 -0.50 -0.01 0.00 -0.00 0.00 0.00 39.34 39.22 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 -1.50 2.83 -0.32 -3.48 5.02 -0.51 -3.95 118.16 116.23 3exf n LYS 215 Ca 0.03 -0.39 0.08 0.00 -2.02 0.00 0.00 58.31 56.01 3exf n LYS 215 Cb 0.16 -0.96 0.29 0.00 -0.02 0.00 0.00 35.03 34.50 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 0.63 0.87 -0.92 1.97 2.47 -1.46 -1.34 114.38 116.61 3exf h ARG 216 Ca 0.00 -0.05 0.17 0.00 -1.26 0.00 0.00 59.98 58.84 3exf h ARG 216 Cb 0.23 -0.20 -0.08 0.00 -1.65 0.00 0.00 29.97 28.28 3exf h ARG 216 CO 0.00 0.58 0.59 0.78 0.56 0.00 0.00 179.97 182.48 3exf h GLY 217 N 0.90 1.24 0.00 0.04 0.00 -1.82 -3.46 103.07 99.97 3exf h GLY 217 Ca 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3exf h GLY 217 CO -0.23 0.03 0.00 1.34 0.00 0.00 0.00 176.54 177.68 3exf n ASP 218 N -4.59 0.00 -0.14 0.19 -0.08 -0.51 -3.16 116.55 108.26 3exf n ASP 218 Ca 0.19 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.68 3exf n ASP 218 Cb 0.56 0.00 0.61 0.00 2.34 0.00 0.00 41.12 44.62 3exf n ASP 218 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 3exf h PHE 219 N 0.00 0.26 -3.66 -0.67 -5.15 -1.89 -3.40 116.94 102.42 3exf h PHE 219 Ca 0.00 0.01 -0.51 0.00 -0.20 0.00 0.00 57.97 57.27 3exf h PHE 219 Cb 0.00 -0.08 0.00 0.00 0.22 0.00 0.00 35.95 36.09 3exf h PHE 219 CO 0.00 0.08 0.44 0.42 -2.00 0.00 0.00 178.31 177.26 3exf s ILE 220 N -5.21 3.86 0.28 0.88 1.01 -1.19 -5.00 121.20 115.83 3exf s ILE 220 Ca -0.07 1.71 -0.29 0.00 0.00 0.00 0.00 60.65 62.00 3exf s ILE 220 Cb 0.21 -4.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.50 3exf s ILE 220 CO 0.76 0.34 1.10 -2.16 0.00 0.00 0.00 174.94 174.99 3exf s PRO 221 N -0.77 4.64 0.20 2.79 0.04 -1.26 -4.69 135.00 135.94 3exf s PRO 221 Ca 0.46 1.81 0.03 0.00 0.04 0.00 0.00 61.00 63.34 3exf s PRO 221 Cb -0.29 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 3exf s PRO 221 CO 0.36 0.21 -0.01 0.20 0.04 0.00 0.00 177.00 177.79 3exf s GLY 222 N -0.86 1.36 -0.02 0.56 0.00 0.05 -0.68 107.32 107.72 3exf s GLY 222 Ca 0.45 -1.66 -0.05 0.00 0.00 0.00 0.00 44.72 43.46 3exf s GLY 222 CO 0.41 -1.60 0.10 0.48 0.00 0.00 0.00 173.10 172.50 3exf s LEU 223 N -3.23 1.64 -0.15 0.66 2.34 0.12 -1.26 118.68 118.80 3exf s LEU 223 Ca 0.25 -0.01 -0.01 0.00 0.06 0.00 0.00 54.13 54.42 3exf s LEU 223 Cb 0.05 0.45 -0.02 0.00 -0.56 0.00 0.00 46.19 46.12 3exf s LEU 223 CO 0.06 -0.18 -0.10 -0.60 -1.06 0.00 0.00 176.35 174.46 3exf s ARG 224 N -0.61 3.44 0.27 1.48 3.52 0.35 -1.28 118.95 126.11 3exf s ARG 224 Ca -0.07 -0.65 0.11 0.00 -0.13 0.00 0.00 55.73 55.00 3exf s ARG 224 Cb -0.04 -2.73 -0.05 0.00 -1.56 0.00 0.00 34.95 30.57 3exf s ARG 224 CO 0.00 0.16 -0.16 0.08 -0.81 0.00 0.00 175.30 174.58 3exf s VAL 225 N 0.50 2.68 -0.87 7.11 1.01 0.41 -2.65 120.40 128.59 3exf s VAL 225 Ca -0.07 -2.25 -0.21 0.00 0.00 0.00 0.00 61.98 59.44 3exf s VAL 225 Cb -0.15 -2.40 0.09 0.00 0.00 0.00 0.00 36.38 33.92 3exf s VAL 225 CO 0.04 -0.36 1.17 -0.62 0.00 0.00 0.00 175.10 175.33 3exf s ASP 226 N -3.44 6.44 0.00 3.32 -1.08 -1.26 -1.31 116.67 119.35 3exf s ASP 226 Ca 0.29 -1.50 0.00 0.00 -0.52 0.00 0.00 52.55 50.82 3exf s ASP 226 Cb -0.06 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 3exf s ASP 226 CO 0.15 -1.33 0.54 0.61 0.52 0.00 0.00 175.17 175.66 3exf n GLY 227 N 5.77 1.01 0.00 2.66 0.00 -1.04 -2.31 105.19 111.29 3exf n GLY 227 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.05 1.01 -3.82 1.61 2.81 -1.26 -3.95 117.12 113.47 3exf n MET 228 Ca 0.00 -0.09 -0.36 0.00 -1.81 0.00 0.00 57.70 55.44 3exf n MET 228 Cb 0.19 -1.30 -0.13 0.00 -0.71 0.00 0.00 33.22 31.27 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 -3.29 4.78 0.34 7.83 -1.08 -0.98 -4.11 116.67 120.17 3exf s ASP 229 Ca -0.02 -0.37 0.03 0.00 -0.52 0.00 0.00 52.55 51.67 3exf s ASP 229 Cb 0.10 -1.84 0.64 0.00 -1.46 0.00 0.00 42.92 40.36 3exf s ASP 229 CO 0.61 -0.05 1.97 -0.29 0.52 0.00 0.00 175.17 177.93 3exf h ILE 230 N 5.67 1.10 0.32 4.11 6.09 -1.86 -2.69 117.51 130.25 3exf h ILE 230 Ca -0.39 -0.30 -0.02 0.00 -1.37 0.00 0.00 64.86 62.79 3exf h ILE 230 Cb 1.16 0.15 0.00 0.00 0.47 0.00 0.00 36.82 38.60 3exf h ILE 230 CO 0.59 0.16 -0.15 -0.07 -3.07 0.00 0.00 178.15 175.61 3exf h LEU 231 N 0.88 -0.37 -0.97 2.19 3.38 -1.94 -1.43 115.31 117.05 3exf h LEU 231 Ca 0.29 -0.16 0.14 0.00 0.09 0.00 0.00 57.88 58.25 3exf h LEU 231 Cb 0.07 0.09 -0.15 0.00 0.09 0.00 0.00 40.66 40.76 3exf h LEU 231 CO -0.08 -0.02 -0.41 0.00 0.09 0.00 0.00 178.44 178.01 3exf h VAL 233 N -0.01 1.12 -0.45 0.00 2.07 -1.34 0.37 116.25 118.01 3exf h VAL 233 Ca 0.32 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 3exf h VAL 233 Cb 0.57 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3exf h VAL 233 CO -0.97 0.12 0.28 -0.09 0.02 0.00 0.00 177.57 176.93 3exf h ARG 234 N 0.65 0.60 -0.50 1.57 2.43 -0.27 -1.66 114.38 117.20 3exf h ARG 234 Ca 0.18 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 3exf h ARG 234 Cb -0.07 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 3exf h ARG 234 CO -0.04 0.43 -0.04 0.93 -1.51 0.00 0.00 179.97 179.74 3exf h GLU 235 N 0.60 0.91 -0.60 0.20 4.39 -0.35 -1.77 114.58 117.96 3exf h GLU 235 Ca 0.16 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.48 3exf h GLU 235 Cb -0.03 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 3exf h GLU 235 CO -0.03 0.96 0.12 0.00 -1.16 0.00 0.00 179.01 178.89 3exf h ALA 236 N 0.92 0.80 0.62 3.43 0.00 -0.95 -0.80 119.26 123.29 3exf h ALA 236 Ca 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3exf h ALA 236 Cb 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3exf h ALA 236 CO 0.03 0.53 -0.36 1.15 0.00 0.00 0.00 179.25 180.61 3exf h THR 237 N 0.89 0.00 -0.83 0.00 2.02 -1.24 0.45 112.91 114.20 3exf h THR 237 Ca 0.19 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.52 3exf h THR 237 Cb 0.40 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.66 3exf h THR 237 CO 0.01 0.00 -0.29 0.03 0.37 0.00 0.00 175.52 175.64 3exf h ARG 238 N -0.91 -0.04 0.18 6.66 3.08 -1.34 0.86 114.38 122.87 3exf h ARG 238 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3exf h ARG 238 Cb 0.72 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3exf h ARG 238 CO 0.10 -0.03 -0.34 0.35 -1.07 0.00 0.00 179.97 178.99 3exf h PHE 239 N -0.04 -0.96 -0.96 3.04 3.04 -0.87 0.98 116.94 121.16 3exf h PHE 239 Ca 0.35 0.02 0.20 0.00 3.98 0.00 0.00 57.97 62.52 3exf h PHE 239 Cb 0.60 0.40 -0.11 0.00 2.56 0.00 0.00 35.95 39.40 3exf h PHE 239 CO -0.72 -0.41 0.55 0.00 -2.02 0.00 0.00 178.31 175.71 3exf h ALA 240 N -1.02 1.60 -0.38 2.41 0.00 0.72 -1.89 119.26 120.69 3exf h ALA 240 Ca -0.02 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3exf h ALA 240 Cb 0.52 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3exf h ALA 240 CO -0.13 -0.14 -0.23 0.00 0.00 0.00 0.00 179.25 178.75 3exf h ALA 241 N 1.66 0.87 -0.79 0.00 0.00 0.12 -2.60 119.26 118.52 3exf h ALA 241 Ca 0.57 -0.37 0.14 0.00 0.00 0.00 0.00 54.91 55.25 3exf h ALA 241 Cb 0.95 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 3exf h ALA 241 CO -0.42 0.63 0.36 0.00 0.00 0.00 0.00 179.25 179.82 3exf h ALA 242 N 1.07 1.14 -0.66 0.00 0.00 -0.05 0.67 119.26 121.44 3exf h ALA 242 Ca 0.09 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3exf h ALA 242 Cb 0.74 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3exf h ALA 242 CO 0.06 -0.16 0.10 -0.92 0.00 0.00 0.00 179.25 178.32 3exf h TYR 243 N 0.52 1.16 0.02 0.00 5.03 -1.07 -1.97 116.97 120.65 3exf h TYR 243 Ca 0.43 -0.16 -0.19 0.00 2.58 0.00 0.00 58.73 61.39 3exf h TYR 243 Cb 0.63 -0.32 0.02 0.00 1.55 0.00 0.00 36.73 38.61 3exf h TYR 243 CO -0.13 0.97 -0.76 0.00 -1.32 0.00 0.00 178.16 176.91 3exf h ARG 245 N -0.00 0.58 -0.01 0.00 3.08 -0.68 -0.43 114.38 116.91 3exf h ARG 245 Ca -0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3exf h ARG 245 Cb 1.47 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3exf h ARG 245 CO 0.15 0.38 0.00 -1.13 -1.07 0.00 0.00 179.97 178.30 3exf n SER 246 N -4.49 0.14 0.00 7.04 3.41 -0.76 -4.91 113.62 114.05 3exf n SER 246 Ca 0.12 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 3exf n SER 246 Cb 0.34 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.80 0.65 1.53 5.00 0.00 -0.17 -4.94 105.19 108.06 3exf n GLY 247 Ca 0.13 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.62 2.35 0.00 1.61 5.02 -1.14 -5.01 118.16 118.37 3exf n LYS 248 Ca 0.00 -1.75 0.00 0.00 -2.02 0.00 0.00 58.31 54.54 3exf n LYS 248 Cb 0.00 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 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 -0.10 -0.32 3.74 0.72 0.00 -1.26 -4.93 105.19 103.04 3exf n GLY 249 Ca 0.26 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 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 1.88 -0.24 1.61 0.04 -0.72 -4.45 135.00 133.12 3exf s PRO 250 Ca 0.00 1.22 -0.14 0.00 0.04 0.00 0.00 61.00 62.12 3exf s PRO 250 Cb 0.00 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.76 3exf s PRO 250 CO 0.00 -1.92 0.60 -1.50 0.04 0.00 0.00 177.00 174.22 3exf s ILE 251 N -2.85 -0.01 -0.07 0.56 2.07 -1.07 -4.55 121.20 115.28 3exf s ILE 251 Ca 0.63 0.03 -0.21 0.00 -1.41 0.00 0.00 60.65 59.68 3exf s ILE 251 Cb -0.18 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 41.49 3exf s ILE 251 CO 0.57 0.01 0.62 -0.76 -1.91 0.00 0.00 174.94 173.47 3exf s LEU 252 N 1.54 4.32 -0.22 8.50 1.02 0.15 -1.03 118.68 132.96 3exf s LEU 252 Ca -0.10 1.08 -0.02 0.00 0.02 0.00 0.00 54.13 55.11 3exf s LEU 252 Cb -0.06 -2.95 0.01 0.00 0.02 0.00 0.00 46.19 43.21 3exf s LEU 252 CO -0.17 -0.05 -0.09 -0.32 0.02 0.00 0.00 176.35 175.74 3exf s MET 253 N 0.60 3.14 -0.64 1.70 1.75 0.28 0.10 119.30 126.23 3exf s MET 253 Ca 0.33 -0.76 -0.17 0.00 -1.25 0.00 0.00 55.69 53.84 3exf s MET 253 Cb -0.17 -2.89 0.13 0.00 2.84 0.00 0.00 34.83 34.74 3exf s MET 253 CO 0.16 -0.25 0.68 -2.00 -0.65 0.00 0.00 175.02 172.96 3exf s GLU 254 N 1.39 3.17 -0.32 4.11 2.12 -0.41 -0.54 118.70 128.21 3exf s GLU 254 Ca 0.04 -1.67 -0.29 0.00 0.36 0.00 0.00 54.97 53.41 3exf s GLU 254 Cb -0.14 -4.35 0.02 0.00 0.26 0.00 0.00 34.13 29.91 3exf s GLU 254 CO -0.06 -1.45 1.10 -0.51 -0.54 0.00 0.00 175.26 173.80 3exf s LEU 255 N 1.91 3.91 -0.84 2.70 1.02 -0.42 -0.45 118.68 126.52 3exf s LEU 255 Ca 0.12 1.04 -0.14 0.00 0.02 0.00 0.00 54.13 55.17 3exf s LEU 255 Cb -0.22 -3.54 0.22 0.00 0.02 0.00 0.00 46.19 42.67 3exf s LEU 255 CO 0.01 -0.92 0.78 -1.58 0.02 0.00 0.00 176.35 174.67 3exf s GLN 256 N 3.74 3.63 0.00 1.70 0.74 -0.42 -1.72 119.66 127.32 3exf s GLN 256 Ca 0.47 -2.51 0.00 0.00 0.05 0.00 0.00 55.36 53.37 3exf s GLN 256 Cb -0.12 -4.43 0.00 0.00 1.10 0.00 0.00 33.01 29.56 3exf s GLN 256 CO 0.17 -1.29 0.00 -2.37 -0.55 0.00 0.00 175.29 171.25 3exf n THR 257 N 3.89 0.00 -3.64 -0.34 5.66 0.64 -2.49 114.28 118.00 3exf n THR 257 Ca 0.14 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.09 3exf n THR 257 Cb 0.47 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.18 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 2.34 -0.29 -0.12 1.09 6.14 -1.26 -4.33 117.35 120.92 3exf s TYR 258 Ca 0.00 0.70 0.02 0.00 0.64 0.00 0.00 57.07 58.42 3exf s TYR 258 Cb 0.00 0.39 -0.01 0.00 0.42 0.00 0.00 41.96 42.77 3exf s TYR 258 CO 0.00 -0.14 -0.17 -0.98 0.64 0.00 0.00 175.55 174.89 3exf s ARG 259 N 0.27 3.25 0.08 4.97 1.70 -1.26 -3.31 118.95 124.65 3exf s ARG 259 Ca 0.03 -0.76 -0.14 0.00 -0.47 0.00 0.00 55.73 54.39 3exf s ARG 259 Cb -0.05 -2.50 -0.18 0.00 -0.57 0.00 0.00 34.95 31.65 3exf s ARG 259 CO -0.11 0.20 1.26 1.88 -1.08 0.00 0.00 175.30 177.45 3exf h TYR 260 N 6.71 1.00 -4.42 5.89 0.05 -1.08 -3.45 116.97 121.68 3exf h TYR 260 Ca -0.23 -0.47 -0.50 0.00 0.05 0.00 0.00 58.73 57.58 3exf h TYR 260 Cb 1.22 -0.14 0.07 0.00 1.01 0.00 0.00 36.73 38.89 3exf h TYR 260 CO 0.49 1.29 0.42 -1.01 -1.05 0.00 0.00 178.16 178.30 3exf s HIS 261 N -3.63 3.48 1.38 4.88 3.76 -1.26 -5.05 115.29 118.84 3exf s HIS 261 Ca -0.11 1.17 -0.23 0.00 -0.15 0.00 0.00 55.06 55.74 3exf s HIS 261 Cb 0.08 -2.90 0.36 0.00 1.11 0.00 0.00 32.58 31.23 3exf s HIS 261 CO 0.89 -0.94 0.86 0.41 -0.85 0.00 0.00 174.74 175.12 3exf n GLY 262 N -2.88 -3.79 0.00 -2.22 0.00 -1.26 -5.01 105.19 90.03 3exf n GLY 262 Ca 0.06 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3exf n GLY 262 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3exf n HIS 263 N -5.59 0.00 -3.18 1.61 -0.00 -1.26 -4.70 115.22 102.10 3exf n HIS 263 Ca 0.13 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.19 3exf n HIS 263 Cb 0.57 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.48 3exf n HIS 263 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 3exf n SER 264 N -0.61 1.44 0.00 0.26 3.41 -1.26 -4.32 113.62 112.53 3exf n SER 264 Ca 0.00 -1.97 0.08 0.00 -0.26 0.00 0.00 58.87 56.72 3exf n SER 264 Cb 0.00 -0.21 0.49 0.00 -0.26 0.00 0.00 64.21 64.23 3exf n SER 264 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3exf n MET 265 N -1.66 0.51 -0.23 4.33 0.00 -0.90 -2.16 117.12 117.00 3exf n MET 265 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 57.70 57.88 3exf n MET 265 Cb 0.36 -1.50 0.22 0.00 0.00 0.00 0.00 33.22 32.31 3exf n MET 265 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3exf n SER 266 N -1.01 3.38 -4.42 7.83 3.41 -1.26 -4.81 113.62 116.75 3exf n SER 266 Ca 0.12 -1.95 -0.40 0.00 -0.26 0.00 0.00 58.87 56.38 3exf n SER 266 Cb 0.06 -0.31 -0.11 0.00 -0.26 0.00 0.00 64.21 63.59 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 -1.15 5.67 0.56 4.04 2.15 -0.92 -4.93 116.67 122.09 3exf s ASP 267 Ca 0.36 -0.72 0.35 0.00 0.43 0.00 0.00 52.55 52.98 3exf s ASP 267 Cb 0.20 -2.02 1.93 0.00 -0.30 0.00 0.00 42.92 42.73 3exf s ASP 267 CO 0.27 -0.28 2.08 1.55 -0.17 0.00 0.00 175.17 178.62 3exf h PRO 268 N 8.40 0.00 0.00 4.34 0.13 -1.87 -3.39 132.00 139.60 3exf h PRO 268 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3exf h PRO 268 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3exf h PRO 268 CO 0.64 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 3exf n GLY 269 N -1.16 1.62 0.14 1.56 0.00 -1.26 -4.78 105.19 101.31 3exf n GLY 269 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 3exf n GLY 269 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3exf n VAL 270 N -2.00 1.85 0.02 1.61 0.24 -1.26 -4.54 118.33 114.25 3exf n VAL 270 Ca 0.00 -2.28 -0.18 0.00 -2.04 0.00 0.00 64.34 59.84 3exf n VAL 270 Cb 0.00 -0.21 -0.14 0.00 -1.47 0.00 0.00 33.84 32.02 3exf n VAL 270 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3exf h ALA 271 N 0.10 0.42 -0.52 2.33 0.00 -1.99 -3.37 119.26 116.23 3exf h ALA 271 Ca -0.00 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.60 3exf h ALA 271 Cb 1.02 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3exf h ALA 271 CO 0.00 1.28 0.00 2.48 0.00 0.00 0.00 179.25 183.01 3exf n TYR 272 N -3.41 0.68 -3.64 0.00 0.18 -1.26 -4.91 117.16 104.80 3exf n TYR 272 Ca -0.25 -0.34 -0.09 0.00 1.88 0.00 0.00 57.90 59.10 3exf n TYR 272 Cb 1.05 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.94 3exf n TYR 272 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 3exf s ARG 273 N -1.32 0.54 0.58 -3.48 1.70 -1.26 -4.97 118.95 110.74 3exf s ARG 273 Ca 0.40 0.65 -0.18 0.00 -0.47 0.00 0.00 55.73 56.13 3exf s ARG 273 Cb 0.22 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.81 3exf s ARG 273 CO 0.30 -0.07 1.14 0.95 -1.08 0.00 0.00 175.30 176.54 3exf s THR 274 N 0.29 3.07 0.19 4.99 -4.23 -1.26 -4.52 115.64 114.17 3exf s THR 274 Ca 0.02 0.63 0.35 0.00 -1.18 0.00 0.00 61.69 61.52 3exf s THR 274 Cb -0.05 -3.22 0.38 0.00 1.34 0.00 0.00 72.50 70.96 3exf s THR 274 CO -0.06 -0.18 2.06 0.03 -0.54 0.00 0.00 174.62 175.92 3exf h ARG 275 N 0.88 0.00 -0.02 3.99 -0.00 -1.94 -2.94 114.38 114.35 3exf h ARG 275 Ca -0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 58.99 3exf h ARG 275 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.24 3exf h ARG 275 CO 0.56 0.00 -0.30 -0.85 0.00 0.00 0.00 179.97 179.38 3exf n GLU 276 N -2.94 1.55 0.15 0.04 -0.00 -1.26 -1.96 120.64 116.23 3exf n GLU 276 Ca -0.00 -1.13 -0.10 0.00 -0.00 0.00 0.00 57.16 55.92 3exf n GLU 276 Cb 0.21 -1.39 -0.06 0.00 -0.00 0.00 0.00 31.44 30.20 3exf n GLU 276 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3exf h GLU 277 N 2.65 -0.44 -0.88 3.44 4.81 -1.89 -2.82 114.58 119.45 3exf h GLU 277 Ca 0.00 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.48 3exf h GLU 277 Cb 0.71 0.10 -0.16 0.00 0.63 0.00 0.00 28.75 30.04 3exf h GLU 277 CO 0.00 -0.16 0.04 0.82 -0.73 0.00 0.00 179.01 178.99 3exf h ILE 278 N -1.02 0.19 -0.20 2.32 2.04 -1.58 0.74 117.51 120.00 3exf h ILE 278 Ca -0.05 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 3exf h ILE 278 Cb 0.48 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3exf h ILE 278 CO 0.08 0.01 0.12 -0.61 0.00 0.00 0.00 178.15 177.75 3exf h GLN 279 N 0.08 0.27 0.09 2.37 5.75 -1.53 -1.32 115.11 120.83 3exf h GLN 279 Ca 0.51 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 59.01 3exf h GLN 279 Cb 1.00 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.45 3exf h GLN 279 CO -0.78 0.24 -0.33 1.49 -2.65 0.00 0.00 178.83 176.79 3exf h GLU 280 N 0.23 -0.53 -0.45 1.69 4.22 -0.63 0.17 114.58 119.27 3exf h GLU 280 Ca 0.07 0.04 0.09 0.00 0.08 0.00 0.00 59.36 59.63 3exf h GLU 280 Cb 0.04 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 3exf h GLU 280 CO -0.01 -0.35 0.01 0.28 -2.18 0.00 0.00 179.01 176.75 3exf h VAL 281 N -0.55 0.66 -0.79 0.32 2.07 -1.18 0.33 116.25 117.11 3exf h VAL 281 Ca 0.04 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3exf h VAL 281 Cb 0.59 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3exf h VAL 281 CO -0.21 0.02 0.52 -0.09 0.02 0.00 0.00 177.57 177.83 3exf h ARG 282 N 0.12 0.99 0.13 1.57 2.43 -0.60 -1.37 114.38 117.65 3exf h ARG 282 Ca 0.23 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3exf h ARG 282 Cb 0.33 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3exf h ARG 282 CO -0.37 0.65 -0.06 0.66 -1.51 0.00 0.00 179.97 179.34 3exf h SER 283 N 1.02 -0.15 0.38 -3.80 4.64 0.11 -3.24 113.55 112.51 3exf h SER 283 Ca 0.31 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3exf h SER 283 Cb -0.02 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3exf h SER 283 CO -0.08 0.37 -0.89 2.29 -0.87 0.00 0.00 176.83 177.66 3exf n LYS 284 N -4.92 0.17 -1.56 4.77 2.85 -0.08 -4.40 118.16 114.98 3exf n LYS 284 Ca -0.08 -0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.18 3exf n LYS 284 Cb 0.27 -1.55 0.01 0.00 -0.65 0.00 0.00 35.03 33.10 3exf n LYS 284 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3exf n SER 285 N -1.77 0.51 -4.63 -5.58 3.41 -0.53 -5.06 113.62 99.97 3exf n SER 285 Ca 0.03 -2.01 -0.45 0.00 -0.26 0.00 0.00 58.87 56.18 3exf n SER 285 Cb 0.39 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 3exf n SER 285 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3exf n ASP 286 N 0.20 2.09 -0.15 4.04 2.03 -1.14 -4.89 116.55 118.73 3exf n ASP 286 Ca -0.03 1.16 -0.12 0.00 0.52 0.00 0.00 54.79 56.33 3exf n ASP 286 Cb 1.00 -1.35 -0.01 0.00 -0.72 0.00 0.00 41.12 40.04 3exf n ASP 286 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3exf h PRO 287 N 3.29 0.95 -0.27 -0.67 0.13 -1.86 -0.88 132.00 132.69 3exf h PRO 287 Ca -0.43 -0.41 -0.14 0.00 -0.87 0.00 0.00 66.00 64.14 3exf h PRO 287 Cb 1.31 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 3exf h PRO 287 CO 0.69 1.08 -0.40 0.82 -0.23 0.00 0.00 178.00 179.95 3exf h ILE 288 N 0.79 1.29 0.00 -3.56 2.04 -1.91 -1.17 117.51 114.99 3exf h ILE 288 Ca 0.10 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.38 3exf h ILE 288 Cb 0.79 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3exf h ILE 288 CO 0.07 0.50 0.00 -0.03 0.00 0.00 0.00 178.15 178.69 3exf h MET 289 N 0.53 0.00 0.20 2.37 4.05 -1.94 -2.88 114.93 117.27 3exf h MET 289 Ca 0.04 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 59.12 3exf h MET 289 Cb 0.93 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.75 3exf h MET 289 CO 0.08 0.00 -1.66 -0.07 0.23 0.00 0.00 176.91 175.50 3exf h LEU 290 N 0.00 0.67 -0.78 3.39 3.38 0.09 -3.10 115.31 118.97 3exf h LEU 290 Ca 0.00 -0.90 -0.02 0.00 0.09 0.00 0.00 57.88 57.05 3exf h LEU 290 Cb 0.44 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3exf h LEU 290 CO 0.00 1.74 0.40 0.25 0.09 0.00 0.00 178.44 180.92 3exf h LEU 291 N 0.12 1.00 -0.19 1.67 5.85 -1.45 -2.75 115.31 119.56 3exf h LEU 291 Ca -0.31 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.34 3exf h LEU 291 Cb 2.12 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.84 3exf h LEU 291 CO 0.21 0.83 -0.15 0.50 -0.34 0.00 0.00 178.44 179.49 3exf h LYS 292 N 1.09 -0.15 -0.09 1.25 3.64 -1.64 0.11 116.57 120.78 3exf h LYS 292 Ca 0.27 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 3exf h LYS 292 Cb 0.08 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3exf h LYS 292 CO -0.04 -0.10 -0.13 0.22 -2.27 0.00 0.00 179.45 177.13 3exf h ASP 293 N -0.16 0.12 0.13 4.20 3.58 -1.43 -1.30 116.42 121.57 3exf h ASP 293 Ca 0.11 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 3exf h ASP 293 Cb 0.33 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.35 3exf h ASP 293 CO -0.28 0.27 -0.06 0.03 -2.88 0.00 0.00 179.24 176.32 3exf h ARG 294 N 0.13 -0.17 -0.35 0.28 3.08 -1.24 -2.82 114.38 113.29 3exf h ARG 294 Ca 0.03 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.13 3exf h ARG 294 Cb 0.31 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 3exf h ARG 294 CO 0.02 0.30 0.11 0.52 -1.07 0.00 0.00 179.97 179.85 3exf h MET 295 N -0.82 0.24 -0.39 0.04 2.86 -0.69 -1.15 114.93 115.03 3exf h MET 295 Ca -0.02 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 3exf h MET 295 Cb 0.55 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 3exf h MET 295 CO 0.03 0.16 0.05 0.28 1.06 0.00 0.00 176.91 178.49 3exf h VAL 296 N 0.25 1.24 -0.05 -2.22 2.07 -1.37 0.15 116.25 116.33 3exf h VAL 296 Ca 0.16 -0.88 -0.16 0.00 0.82 0.00 0.00 66.70 66.64 3exf h VAL 296 Cb 0.14 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3exf h VAL 296 CO -0.17 0.30 -0.68 0.78 0.02 0.00 0.00 177.57 177.81 3exf h ASN 297 N 0.49 0.26 -0.47 0.57 2.35 -1.25 -2.64 115.58 114.88 3exf h ASN 297 Ca 0.12 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3exf h ASN 297 Cb 0.38 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3exf h ASN 297 CO 0.01 0.86 0.00 -1.54 -1.65 0.00 0.00 177.43 175.11 3exf n SER 298 N -3.81 4.89 -1.48 5.81 3.41 -0.46 -4.90 113.62 117.08 3exf n SER 298 Ca -0.03 -2.76 -0.15 0.00 -0.26 0.00 0.00 58.87 55.67 3exf n SER 298 Cb 0.67 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 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 0.52 -4.72 0.22 4.04 5.15 -1.00 -4.71 115.26 114.78 3exf n ASN 299 Ca 0.23 0.17 0.13 0.00 -0.60 0.00 0.00 54.58 54.50 3exf n ASN 299 Cb 1.03 -3.72 0.27 0.00 -0.53 0.00 0.00 39.78 36.82 3exf n ASN 299 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3exf h LEU 300 N 0.00 0.00 -7.00 1.20 3.38 -1.19 -2.54 115.31 109.16 3exf h LEU 300 Ca -0.34 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.72 3exf h LEU 300 Cb 1.14 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.69 3exf h LEU 300 CO 0.44 0.00 0.54 0.00 0.09 0.00 0.00 178.44 179.52 3exf s ALA 301 N -3.28 -1.91 0.12 1.53 0.00 -1.14 -4.80 121.76 112.28 3exf s ALA 301 Ca 0.06 1.44 -0.06 0.00 0.00 0.00 0.00 51.96 53.40 3exf s ALA 301 Cb 0.06 -0.38 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 3exf s ALA 301 CO 0.64 -0.42 0.38 -1.54 0.00 0.00 0.00 175.76 174.82 3exf s SER 302 N -1.52 6.52 0.59 0.00 1.04 -1.26 -4.12 113.70 114.95 3exf s SER 302 Ca 0.00 0.63 0.16 0.00 0.48 0.00 0.00 55.95 57.23 3exf s SER 302 Cb -0.01 -2.11 0.90 0.00 0.10 0.00 0.00 66.02 64.90 3exf s SER 302 CO -0.01 0.08 1.47 1.62 0.98 0.00 0.00 173.24 177.38 3exf h VAL 303 N 2.25 0.00 0.07 5.02 3.04 -1.98 0.26 116.25 124.92 3exf h VAL 303 Ca -0.47 0.00 -0.24 0.00 -1.01 0.00 0.00 66.70 64.98 3exf h VAL 303 Cb 1.17 0.37 0.02 0.00 -2.01 0.00 0.00 31.29 30.84 3exf h VAL 303 CO 0.71 0.00 -0.97 -0.33 -1.01 0.00 0.00 177.57 175.97 3exf h GLU 304 N 0.00 0.53 -0.16 4.17 3.07 -2.00 -3.24 114.58 116.95 3exf h GLU 304 Ca 0.00 -0.67 -0.16 0.00 -0.50 0.00 0.00 59.36 58.03 3exf h GLU 304 Cb 1.11 0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 29.23 3exf h GLU 304 CO 0.00 1.28 -0.57 0.93 -1.40 0.00 0.00 179.01 179.25 3exf h GLU 305 N 0.08 0.49 0.00 2.33 5.08 -0.87 -2.57 114.58 119.12 3exf h GLU 305 Ca -0.14 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 3exf h GLU 305 Cb 1.68 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.97 3exf h GLU 305 CO 0.19 0.92 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.94 3exf h LEU 306 N 0.37 0.00 -0.25 1.33 3.38 -1.63 -2.51 115.31 116.01 3exf h LEU 306 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3exf h LEU 306 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3exf h LEU 306 CO 0.10 0.11 -0.81 0.11 0.09 0.00 0.00 178.44 178.05 3exf h LYS 307 N 0.00 0.55 -0.23 1.13 6.56 -1.50 -0.26 116.57 122.82 3exf h LYS 307 Ca -0.00 -0.48 -0.08 0.00 -1.06 0.00 0.00 60.65 59.02 3exf h LYS 307 Cb 0.81 0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.56 3exf h LYS 307 CO 0.01 1.11 -0.22 1.49 -2.06 0.00 0.00 179.45 179.79 3exf h GLU 308 N 0.36 0.43 0.10 3.15 4.57 -1.13 -1.01 114.58 121.05 3exf h GLU 308 Ca -0.05 -0.15 -0.17 0.00 -1.18 0.00 0.00 59.36 57.81 3exf h GLU 308 Cb 1.42 -0.03 0.02 0.00 -0.16 0.00 0.00 28.75 29.99 3exf h GLU 308 CO 0.15 0.63 -0.73 0.82 -1.18 0.00 0.00 179.01 178.69 3exf h ILE 309 N 0.38 1.50 -0.81 2.32 2.04 -1.32 0.00 117.51 121.62 3exf h ILE 309 Ca 0.06 -2.40 0.18 0.00 1.00 0.00 0.00 64.86 63.70 3exf h ILE 309 Cb 0.60 3.03 -0.15 0.00 -0.74 0.00 0.00 36.82 39.57 3exf h ILE 309 CO 0.04 0.68 -0.11 0.44 0.00 0.00 0.00 178.15 179.20 3exf h ASP 310 N -0.31 -0.60 0.34 1.72 3.32 -0.80 0.17 116.42 120.27 3exf h ASP 310 Ca -0.12 0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3exf h ASP 310 Cb 1.53 0.45 -0.02 0.00 0.22 0.00 0.00 39.33 41.51 3exf h ASP 310 CO 0.14 -0.25 -0.29 0.58 -1.72 0.00 0.00 179.24 177.70 3exf h VAL 311 N 0.03 0.39 -0.48 -1.35 2.07 -0.98 0.71 116.25 116.65 3exf h VAL 311 Ca 0.42 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.91 3exf h VAL 311 Cb 0.69 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3exf h VAL 311 CO -0.79 0.00 0.20 -0.33 0.02 0.00 0.00 177.57 176.67 3exf h GLU 312 N -0.64 0.68 0.11 1.57 5.08 -0.13 -1.39 114.58 119.86 3exf h GLU 312 Ca -0.02 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3exf h GLU 312 Cb 0.57 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3exf h GLU 312 CO -0.03 0.55 -0.05 0.28 -1.00 0.00 0.00 179.01 178.76 3exf h VAL 313 N 0.67 1.02 -0.99 3.13 2.07 -0.29 -1.26 116.25 120.61 3exf h VAL 313 Ca 0.17 -0.55 0.36 0.00 0.82 0.00 0.00 66.70 67.50 3exf h VAL 313 Cb 0.12 1.37 -0.17 0.00 -1.52 0.00 0.00 31.29 31.09 3exf h VAL 313 CO -0.02 0.13 0.47 -0.09 0.02 0.00 0.00 177.57 178.08 3exf h ARG 314 N -0.41 0.11 0.26 1.57 9.65 0.10 -0.85 114.38 124.82 3exf h ARG 314 Ca -0.02 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3exf h ARG 314 Cb 0.33 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 3exf h ARG 314 CO 0.03 0.07 -0.13 -0.22 2.80 0.00 0.00 179.97 182.52 3exf h LYS 315 N 0.11 -0.34 -0.93 0.20 3.64 -0.70 -1.14 116.57 117.41 3exf h LYS 315 Ca 0.76 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 60.29 3exf h LYS 315 Cb 1.88 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 33.70 3exf h LYS 315 CO -0.73 0.01 0.60 0.93 -2.27 0.00 0.00 179.45 177.98 3exf h GLU 316 N -0.77 0.83 0.13 1.90 4.39 -0.04 -1.16 114.58 119.87 3exf h GLU 316 Ca -0.04 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 3exf h GLU 316 Cb 0.50 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3exf h GLU 316 CO 0.06 0.55 -0.06 0.82 -1.16 0.00 0.00 179.01 179.22 3exf h ILE 317 N 0.86 1.03 -0.39 3.13 1.08 -1.25 -1.22 117.51 120.76 3exf h ILE 317 Ca 0.46 -0.75 0.08 0.00 -0.39 0.00 0.00 64.86 64.26 3exf h ILE 317 Cb 0.55 1.50 -0.08 0.00 -3.07 0.00 0.00 36.82 35.71 3exf h ILE 317 CO -0.22 0.18 -0.17 -0.08 -0.69 0.00 0.00 178.15 177.17 3exf h GLU 318 N -0.53 -0.09 -0.76 2.37 4.57 -0.00 0.26 114.58 120.40 3exf h GLU 318 Ca -0.02 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 3exf h GLU 318 Cb 0.42 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 3exf h GLU 318 CO 0.03 -0.06 0.29 -0.44 -1.18 0.00 0.00 179.01 177.65 3exf h ASP 319 N -0.09 1.04 -0.48 1.04 3.32 -1.33 0.13 116.42 120.04 3exf h ASP 319 Ca 0.19 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3exf h ASP 319 Cb 0.39 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3exf h ASP 319 CO -0.45 0.93 0.15 0.00 -1.72 0.00 0.00 179.24 178.15 3exf h ALA 320 N 1.22 0.63 -0.33 3.45 0.00 -0.47 0.54 119.26 124.30 3exf h ALA 320 Ca 0.25 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3exf h ALA 320 Cb 0.22 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3exf h ALA 320 CO -0.02 0.29 -0.01 0.00 0.00 0.00 0.00 179.25 179.51 3exf h ALA 321 N 1.01 0.29 0.00 0.00 0.00 -0.45 -1.66 119.26 118.44 3exf h ALA 321 Ca 0.16 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 3exf h ALA 321 Cb 0.28 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3exf h ALA 321 CO -0.00 -0.41 -0.47 -0.56 0.00 0.00 0.00 179.25 177.81 3exf h GLN 322 N 0.08 0.00 0.00 0.00 -0.00 -0.09 -1.96 115.11 113.14 3exf h GLN 322 Ca 0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.71 3exf h GLN 322 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.69 3exf h GLN 322 CO -0.28 0.47 -0.47 0.35 -0.00 0.00 0.00 178.83 178.90 3exf h PHE 323 N 0.00 0.00 -0.00 0.06 3.57 0.21 -3.13 116.94 117.65 3exf h PHE 323 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3exf h PHE 323 Cb 1.34 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.08 3exf h PHE 323 CO 0.00 0.47 -0.83 0.00 -2.23 0.00 0.00 178.31 175.72 3exf n ALA 324 N -2.27 4.36 0.06 2.41 0.00 -0.64 -3.25 120.51 121.18 3exf n ALA 324 Ca 0.01 -0.53 0.02 0.00 0.00 0.00 0.00 53.44 52.94 3exf n ALA 324 Cb 0.62 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 3exf n ALA 324 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3exf h THR 325 N 0.12 0.43 -0.59 0.00 1.35 -1.41 -3.36 112.91 109.46 3exf h THR 325 Ca 0.00 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 3exf h THR 325 Cb 0.51 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 3exf h THR 325 CO 0.00 0.24 0.00 0.00 -0.25 0.00 0.00 175.52 175.51 3exf n ALA 326 N -2.34 2.46 -2.37 6.62 0.00 -1.18 -4.97 120.51 118.72 3exf n ALA 326 Ca -0.07 -1.35 -0.39 0.00 0.00 0.00 0.00 53.44 51.64 3exf n ALA 326 Cb 0.77 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 3exf n ALA 326 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3exf s ASP 327 N -1.02 7.01 0.31 0.00 2.15 -1.20 -5.04 116.67 118.88 3exf s ASP 327 Ca 0.41 1.20 -0.29 0.00 0.43 0.00 0.00 52.55 54.30 3exf s ASP 327 Cb 0.23 -2.35 -0.11 0.00 -0.30 0.00 0.00 42.92 40.39 3exf s ASP 327 CO 0.26 0.21 1.51 -2.16 -0.17 0.00 0.00 175.17 174.81 3exf s PRO 328 N -0.72 4.16 1.04 4.34 0.04 -1.26 -4.78 135.00 137.82 3exf s PRO 328 Ca 0.29 2.50 -0.12 0.00 0.04 0.00 0.00 61.00 63.71 3exf s PRO 328 Cb -0.19 -3.03 0.19 0.00 0.04 0.00 0.00 34.50 31.51 3exf s PRO 328 CO 0.18 -0.53 0.89 0.39 0.04 0.00 0.00 177.00 177.97 3exf n GLU 329 N 1.58 -1.34 -1.77 4.56 1.02 -1.26 -1.16 120.64 122.28 3exf n GLU 329 Ca 0.05 -0.35 -0.40 0.00 -0.02 0.00 0.00 57.16 56.44 3exf n GLU 329 Cb 0.39 -2.16 0.02 0.00 -0.02 0.00 0.00 31.44 29.66 3exf n GLU 329 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3exf n PRO 330 N -3.99 2.32 -1.66 3.49 -0.02 -1.26 -4.40 135.00 129.48 3exf n PRO 330 Ca 0.07 0.82 -0.43 0.00 -2.02 0.00 0.00 63.50 61.94 3exf n PRO 330 Cb 0.54 -2.65 -0.01 0.00 -0.02 0.00 0.00 33.50 31.36 3exf n PRO 330 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3exf n PRO 331 N -0.15 1.82 0.25 0.52 -0.04 -1.26 -4.88 135.00 131.26 3exf n PRO 331 Ca 0.05 0.64 0.11 0.00 -0.04 0.00 0.00 63.50 64.25 3exf n PRO 331 Cb 0.41 -2.17 0.64 0.00 -0.04 0.00 0.00 33.50 32.35 3exf n PRO 331 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3exf h LEU 332 N 2.25 0.00 -2.29 1.53 5.85 -2.04 -1.99 115.31 118.62 3exf h LEU 332 Ca -0.44 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 3exf h LEU 332 Cb 1.31 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 3exf h LEU 332 CO 0.61 0.16 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.51 3exf h GLU 333 N 0.00 0.00 -1.03 1.25 5.08 -1.99 -2.66 114.58 115.23 3exf h GLU 333 Ca -0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 3exf h GLU 333 Cb 0.42 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.45 3exf h GLU 333 CO 0.02 0.04 0.48 0.39 -1.00 0.00 0.00 179.01 178.94 3exf n GLU 334 N -3.84 1.91 0.07 2.33 1.02 -0.75 -4.11 120.64 117.28 3exf n GLU 334 Ca -0.03 -2.15 -0.15 0.00 -0.02 0.00 0.00 57.16 54.82 3exf n GLU 334 Cb 0.12 -1.84 -0.06 0.00 -0.02 0.00 0.00 31.44 29.64 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 1.12 0.58 -0.03 -4.62 6.46 -1.65 -3.24 115.31 113.92 3exf h LEU 335 Ca 0.45 -0.48 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 3exf h LEU 335 Cb 2.19 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.94 3exf h LEU 335 CO 0.82 1.29 -0.10 0.61 -0.62 0.00 0.00 178.44 180.43 3exf n GLY 336 N 1.03 -1.34 3.77 3.75 0.00 -1.26 -4.93 105.19 106.23 3exf n GLY 336 Ca -0.08 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.85 2.71 -0.34 1.61 1.51 -1.23 -4.10 117.35 114.67 3exf s TYR 337 Ca 0.18 1.20 -0.01 0.00 -1.01 0.00 0.00 57.07 57.43 3exf s TYR 337 Cb 0.19 -3.94 0.00 0.00 -0.11 0.00 0.00 41.96 38.10 3exf s TYR 337 CO 0.54 -2.75 0.29 0.72 -1.11 0.00 0.00 175.55 173.24 3exf n HIS 338 N 0.66 -0.68 0.03 2.71 8.25 -0.68 -4.92 115.22 120.58 3exf n HIS 338 Ca 0.01 0.26 -0.22 0.00 -0.26 0.00 0.00 57.72 57.51 3exf n HIS 338 Cb 0.40 -2.31 -0.14 0.00 1.12 0.00 0.00 29.99 29.05 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 -0.63 1.14 -3.83 1.59 2.04 -1.84 -3.47 117.51 112.52 3exf h ILE 339 Ca -0.15 -2.46 -0.68 0.00 1.00 0.00 0.00 64.86 62.57 3exf h ILE 339 Cb 1.09 2.84 -0.22 0.00 -0.74 0.00 0.00 36.82 39.80 3exf h ILE 339 CO 0.14 0.73 -0.86 -0.31 0.00 0.00 0.00 178.15 177.85 3exf s TYR 340 N -2.49 2.27 0.68 1.37 2.02 -1.26 -5.14 117.35 114.81 3exf s TYR 340 Ca -0.17 -0.38 -0.09 0.00 -0.37 0.00 0.00 57.07 56.06 3exf s TYR 340 Cb 0.04 -1.22 0.03 0.00 -0.40 0.00 0.00 41.96 40.41 3exf s TYR 340 CO 0.80 0.35 1.03 0.45 -1.57 0.00 0.00 175.55 176.60 3exf s SER 341 N -2.12 5.21 -0.88 2.29 0.15 -1.26 -4.20 113.70 112.88 3exf s SER 341 Ca 0.14 0.78 -0.11 0.00 0.70 0.00 0.00 55.95 57.46 3exf s SER 341 Cb -0.10 -1.57 0.11 0.00 -1.71 0.00 0.00 66.02 62.76 3exf s SER 341 CO 0.06 -1.39 0.28 -1.20 1.20 0.00 0.00 173.24 172.19 3exf n SER 342 N -2.89 -1.14 -4.55 5.45 7.64 -1.26 -4.91 113.62 111.95 3exf n SER 342 Ca 0.07 -0.44 -0.27 0.00 1.01 0.00 0.00 58.87 59.24 3exf n SER 342 Cb 0.59 -1.04 -0.10 0.00 -1.01 0.00 0.00 64.21 62.65 3exf n SER 342 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3exf s ASP 343 N -2.25 4.16 1.02 6.43 1.11 -1.26 -5.09 116.67 120.79 3exf s ASP 343 Ca 0.39 -0.61 -0.14 0.00 0.18 0.00 0.00 52.55 52.37 3exf s ASP 343 Cb -0.23 -0.67 0.11 0.00 1.07 0.00 0.00 42.92 43.20 3exf s ASP 343 CO 0.48 0.11 0.50 -0.81 1.18 0.00 0.00 175.17 176.63 3exf n PRO 344 N 0.08 -0.97 -2.33 8.23 -0.04 -1.26 -4.17 135.00 134.54 3exf n PRO 344 Ca -0.11 -0.25 -0.35 0.00 -0.04 0.00 0.00 63.50 62.76 3exf n PRO 344 Cb 0.55 -1.94 -0.01 0.00 -0.04 0.00 0.00 33.50 32.07 3exf n PRO 344 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3exf s PRO 345 N -3.85 3.47 0.00 0.54 0.02 -1.26 -4.74 135.00 129.18 3exf s PRO 345 Ca 0.60 1.54 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3exf s PRO 345 Cb -0.19 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.30 3exf s PRO 345 CO 0.65 -0.74 0.00 1.97 -0.33 0.00 0.00 177.00 178.55 3exf n PHE 346 N -1.23 -0.40 -5.05 6.54 -1.74 -0.78 -4.98 117.46 109.83 3exf n PHE 346 Ca 0.11 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.71 3exf n PHE 346 Cb 0.51 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.35 3exf n PHE 346 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 3exf s GLU 347 N -1.70 2.29 -0.04 3.97 2.02 -1.26 -1.01 118.70 122.97 3exf s GLU 347 Ca 0.00 -0.75 0.06 0.00 0.02 0.00 0.00 54.97 54.30 3exf s GLU 347 Cb 0.00 -1.90 -0.02 0.00 0.10 0.00 0.00 34.13 32.31 3exf s GLU 347 CO 0.00 0.27 -0.22 0.08 0.02 0.00 0.00 175.26 175.41 3exf s VAL 348 N 0.06 2.39 -0.06 2.63 1.01 0.88 -4.95 120.40 122.36 3exf s VAL 348 Ca -0.07 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.66 3exf s VAL 348 Cb -0.14 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3exf s VAL 348 CO 0.04 0.58 0.88 -0.60 0.00 0.00 0.00 175.10 176.00 3exf s ARG 349 N -0.56 4.46 0.00 2.72 3.52 -1.26 -0.95 118.95 126.88 3exf s ARG 349 Ca 0.08 1.19 0.00 0.00 -0.13 0.00 0.00 55.73 56.87 3exf s ARG 349 Cb -0.11 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.80 3exf s ARG 349 CO 0.00 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.81 3exf n GLY 350 N 3.07 -0.94 0.51 8.12 0.00 -0.01 -4.90 105.19 111.04 3exf n GLY 350 Ca 0.04 -1.61 0.33 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.00 2.95 -2.86 4.61 0.00 -1.98 -3.43 119.26 116.55 3exf h ALA 351 Ca 0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.53 3exf h ALA 351 Cb 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.76 3exf h ALA 351 CO 0.00 -1.33 -0.41 0.54 0.00 0.00 0.00 179.25 178.05 3exf s ASN 352 N -5.09 1.17 0.22 0.00 2.20 -1.26 -5.06 114.94 107.11 3exf s ASN 352 Ca -0.06 -1.60 0.25 0.00 -0.94 0.00 0.00 52.86 50.51 3exf s ASN 352 Cb 0.24 0.56 0.89 0.00 -2.00 0.00 0.00 41.25 40.94 3exf s ASN 352 CO 0.81 -1.10 1.75 0.00 -2.94 0.00 0.00 177.10 175.62 3exf n GLN 353 N -0.54 0.22 0.04 3.55 10.64 -1.26 -2.46 117.38 127.57 3exf n GLN 353 Ca 0.04 0.29 0.12 0.00 -1.83 0.00 0.00 57.00 55.63 3exf n GLN 353 Cb 0.63 -1.82 0.14 0.00 -0.86 0.00 0.00 30.24 28.32 3exf n GLN 353 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 3exf n TRP 354 N -2.22 0.38 -2.92 2.61 8.01 -1.26 -4.74 117.44 117.31 3exf n TRP 354 Ca 0.04 0.11 -0.43 0.00 -1.31 0.00 0.00 57.50 55.91 3exf n TRP 354 Cb 0.34 -0.53 -0.05 0.00 -2.01 0.00 0.00 31.31 29.07 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 -3.15 4.53 -0.14 -0.99 1.01 -1.03 -5.02 121.20 116.41 3exf s ILE 355 Ca 0.06 0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.92 3exf s ILE 355 Cb 0.14 -4.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 3exf s ILE 355 CO 0.74 -0.94 -0.05 -0.54 0.00 0.00 0.00 174.94 174.15 3exf s LYS 356 N 3.57 3.56 -0.11 2.79 1.02 -1.26 -0.83 119.74 128.46 3exf s LYS 356 Ca 0.28 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.73 3exf s LYS 356 Cb -0.13 -2.85 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 3exf s LYS 356 CO 0.20 0.28 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.73 3exf s PHE 357 N 0.25 2.83 0.19 3.18 0.08 -0.12 -4.96 117.98 119.42 3exf s PHE 357 Ca -0.04 -0.45 -0.30 0.00 0.12 0.00 0.00 56.93 56.26 3exf s PHE 357 Cb -0.14 -1.81 -0.08 0.00 -0.57 0.00 0.00 43.02 40.41 3exf s PHE 357 CO 0.03 -0.07 1.27 0.21 -0.10 0.00 0.00 175.22 176.56 3exf s LYS 358 N 0.06 4.42 -0.21 0.44 2.20 -1.26 -0.08 119.74 125.31 3exf s LYS 358 Ca -0.04 1.98 0.01 0.00 -0.36 0.00 0.00 55.97 57.56 3exf s LYS 358 Cb -0.14 -3.22 0.03 0.00 -1.51 0.00 0.00 37.83 32.99 3exf s LYS 358 CO 0.04 -0.20 -0.15 0.45 -0.36 0.00 0.00 175.35 175.13 3exf s SER 359 N 0.31 3.69 0.02 1.43 0.15 -0.18 -3.93 113.70 115.18 3exf s SER 359 Ca 0.56 -0.89 0.07 0.00 0.70 0.00 0.00 55.95 56.39 3exf s SER 359 Cb -0.35 -1.53 -0.02 0.00 -1.71 0.00 0.00 66.02 62.41 3exf s SER 359 CO 0.37 -0.07 -0.21 0.68 1.20 0.00 0.00 173.24 175.21 3exf s VAL 360 N 1.24 1.66 -2.00 4.45 -7.23 -1.26 -1.87 120.40 115.40 3exf s VAL 360 Ca 0.00 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 3exf s VAL 360 Cb -0.15 -1.42 0.01 0.00 0.56 0.00 0.00 36.38 35.37 3exf s VAL 360 CO -0.09 0.32 0.51 -1.20 -0.31 0.00 0.00 175.10 174.33