#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkf s LYS 11 N 0.00 2.79 -0.25 1.61 1.02 -1.26 -5.11 119.74 118.54 3gkf s LYS 11 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.45 3gkf s LYS 11 Cb 0.00 -2.65 0.04 0.00 -0.52 0.00 0.00 37.83 34.70 3gkf s LYS 11 CO 0.00 0.66 -0.08 0.34 -0.92 0.00 0.00 175.35 175.35 3gkf s ASP 12 N -1.03 4.33 0.00 2.83 2.15 -1.26 -4.95 116.67 118.74 3gkf s ASP 12 Ca 0.14 -1.09 0.26 0.00 0.43 0.00 0.00 52.55 52.30 3gkf s ASP 12 Cb -0.11 -1.62 0.71 0.00 -0.30 0.00 0.00 42.92 41.60 3gkf s ASP 12 CO 0.04 -0.16 1.55 0.49 -0.17 0.00 0.00 175.17 176.92 3gkf n PHE 13 N 4.58 0.00 -3.78 -5.34 3.72 -1.26 -4.96 117.46 110.43 3gkf n PHE 13 Ca -0.16 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 56.97 3gkf n PHE 13 Cb 0.45 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.99 3gkf n PHE 13 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3gkf n ARG 14 N 0.27 -2.66 0.27 -1.08 3.00 -1.26 -4.81 116.66 110.40 3gkf n ARG 14 Ca 0.16 0.47 0.13 0.00 -0.00 0.00 0.00 57.85 58.61 3gkf n ARG 14 Cb 0.42 -4.48 0.78 0.00 0.00 0.00 0.00 32.46 29.18 3gkf n ARG 14 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 3gkf h THR 15 N -1.86 0.54 0.00 5.15 1.35 -2.02 -1.76 112.91 114.31 3gkf h THR 15 Ca -0.64 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3gkf h THR 15 Cb 1.36 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 3gkf h THR 15 CO 0.55 0.09 0.00 -0.90 -0.25 0.00 0.00 175.52 175.00 3gkf n ASP 16 N -3.67 0.59 -4.03 5.36 5.75 -1.26 -4.51 116.55 114.77 3gkf n ASP 16 Ca -0.02 0.62 -0.31 0.00 -0.01 0.00 0.00 54.79 55.06 3gkf n ASP 16 Cb 0.20 -0.75 -0.15 0.00 -1.03 0.00 0.00 41.12 39.38 3gkf n ASP 16 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3gkf s GLN 17 N -3.21 2.17 0.05 0.11 0.74 -0.66 -5.11 119.66 113.75 3gkf s GLN 17 Ca 0.07 -1.07 -0.18 0.00 0.05 0.00 0.00 55.36 54.23 3gkf s GLN 17 Cb 0.10 -2.65 -0.06 0.00 1.10 0.00 0.00 33.01 31.50 3gkf s GLN 17 CO 0.43 -0.48 0.51 -1.25 -0.55 0.00 0.00 175.29 173.95 3gkf s PRO 18 N 1.26 4.09 0.30 1.67 0.04 -1.26 -4.91 135.00 136.19 3gkf s PRO 18 Ca -0.04 0.61 -0.30 0.00 0.04 0.00 0.00 61.00 61.31 3gkf s PRO 18 Cb -0.18 -3.22 -0.11 0.00 0.04 0.00 0.00 34.50 31.03 3gkf s PRO 18 CO -0.07 0.65 1.56 -1.14 0.04 0.00 0.00 177.00 178.04 3gkf s GLN 19 N -1.13 4.14 0.02 4.56 0.74 -1.26 -5.01 119.66 121.72 3gkf s GLN 19 Ca 0.27 2.54 0.04 0.00 0.05 0.00 0.00 55.36 58.26 3gkf s GLN 19 Cb -0.18 -3.03 -0.01 0.00 1.10 0.00 0.00 33.01 30.89 3gkf s GLN 19 CO 0.17 -0.59 -0.11 0.21 -0.55 0.00 0.00 175.29 174.42 3gkf s LYS 20 N -0.73 0.82 -0.10 1.67 2.20 -1.26 -5.13 119.74 117.21 3gkf s LYS 20 Ca 0.61 -0.56 -0.26 0.00 -0.36 0.00 0.00 55.97 55.41 3gkf s LYS 20 Cb -0.47 -0.78 -0.02 0.00 -1.51 0.00 0.00 37.83 35.04 3gkf s LYS 20 CO 0.50 0.20 0.82 -0.80 -0.36 0.00 0.00 175.35 175.71 3gkf s ASN 21 N -0.74 7.05 -0.09 1.43 0.01 -1.26 -5.02 114.94 116.32 3gkf s ASN 21 Ca 0.01 1.28 -0.30 0.00 -0.71 0.00 0.00 52.86 53.15 3gkf s ASN 21 Cb -0.06 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 3gkf s ASN 21 CO 0.00 -0.28 1.23 -0.63 -1.51 0.00 0.00 177.10 175.91 3gkf s ILE 22 N 1.50 4.24 0.61 0.60 1.09 -1.26 -5.00 121.20 122.97 3gkf s ILE 22 Ca 0.41 1.55 -0.18 0.00 -1.10 0.00 0.00 60.65 61.33 3gkf s ILE 22 Cb -0.18 -4.00 -0.03 0.00 -1.06 0.00 0.00 42.46 37.20 3gkf s ILE 22 CO 0.17 -0.04 1.21 -2.84 -0.10 0.00 0.00 174.94 173.34 3gkf s PRO 23 N 2.62 2.88 -0.28 2.79 0.02 -1.26 -5.02 135.00 136.75 3gkf s PRO 23 Ca 0.56 1.84 -0.06 0.00 0.02 0.00 0.00 61.00 63.36 3gkf s PRO 23 Cb -0.24 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.37 3gkf s PRO 23 CO 0.20 -1.28 0.04 0.12 -0.33 0.00 0.00 177.00 175.75 3gkf s PHE 24 N -1.61 3.12 -0.56 6.54 5.36 -1.26 -5.00 117.98 124.57 3gkf s PHE 24 Ca 0.78 -1.07 0.23 0.00 -0.96 0.00 0.00 56.93 55.90 3gkf s PHE 24 Cb -0.31 -2.20 -0.04 0.00 -0.34 0.00 0.00 43.02 40.13 3gkf s PHE 24 CO 0.34 -0.60 0.94 0.25 -1.46 0.00 0.00 175.22 174.70 3gkf n THR 25 N 4.82 0.14 -1.56 0.12 -2.24 -1.26 -4.57 114.28 109.74 3gkf n THR 25 Ca -0.15 -0.26 -0.47 0.00 -2.27 0.00 0.00 64.05 60.90 3gkf n THR 25 Cb 0.48 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 3gkf n THR 25 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3gkf n LEU 26 N -1.98 1.32 -4.65 3.22 7.94 -1.26 -4.71 117.00 116.89 3gkf n LEU 26 Ca 0.01 1.16 -0.42 0.00 -1.11 0.00 0.00 56.01 55.65 3gkf n LEU 26 Cb 0.45 -1.22 -0.03 0.00 0.53 0.00 0.00 43.42 43.15 3gkf n LEU 26 CO 0.41 -1.54 1.52 -0.75 -1.11 0.00 0.00 177.39 175.93 3gkf s LYS 27 N -0.97 4.00 -0.29 1.96 2.20 -1.26 -2.29 119.74 123.09 3gkf s LYS 27 Ca 0.66 2.29 0.00 0.00 -0.36 0.00 0.00 55.97 58.56 3gkf s LYS 27 Cb -0.80 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 31.41 3gkf s LYS 27 CO 0.56 -1.09 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 3gkf n GLY 28 N 4.55 0.56 0.63 5.54 0.00 -1.23 -3.67 105.19 111.57 3gkf n GLY 28 Ca 0.20 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.99 3gkf n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n GLY 30 N -1.15 -1.48 2.07 0.00 0.00 -1.26 -3.97 105.19 99.39 3gkf n GLY 30 Ca 0.21 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 3gkf n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n ALA 31 N -1.49 4.82 -2.56 4.61 0.00 -1.26 -4.95 120.51 119.67 3gkf n ALA 31 Ca 0.07 -3.70 -0.28 0.00 0.00 0.00 0.00 53.44 49.52 3gkf n ALA 31 Cb 0.33 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.32 3gkf n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gkf s LEU 32 N -3.61 2.96 0.85 0.00 1.43 -1.25 -5.11 118.68 113.95 3gkf s LEU 32 Ca 0.49 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.98 3gkf s LEU 32 Cb 0.40 -1.72 0.10 0.00 0.03 0.00 0.00 46.19 45.00 3gkf s LEU 32 CO 0.03 0.15 1.15 -0.67 0.23 0.00 0.00 176.35 177.24 3gkf n ASP 33 N 0.44 0.67 -0.11 2.29 2.03 -1.26 -4.67 116.55 115.94 3gkf n ASP 33 Ca -0.13 0.52 -0.06 0.00 0.52 0.00 0.00 54.79 55.65 3gkf n ASP 33 Cb 0.54 -1.49 0.01 0.00 -0.72 0.00 0.00 41.12 39.46 3gkf n ASP 33 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 3gkf h TRP 34 N -1.26 -0.57 -0.82 -0.67 7.01 -1.99 -0.64 115.95 117.01 3gkf h TRP 34 Ca -0.45 0.05 -0.01 0.00 2.11 0.00 0.00 58.89 60.59 3gkf h TRP 34 Cb 1.29 0.31 -0.04 0.00 -2.10 0.00 0.00 29.16 28.62 3gkf h TRP 34 CO 0.47 -0.30 0.48 0.78 -2.79 0.00 0.00 178.44 177.08 3gkf h GLY 35 N -0.15 1.19 0.89 2.65 0.00 -1.92 0.35 103.07 106.07 3gkf h GLY 35 Ca 0.19 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3gkf h GLY 35 CO -0.49 0.49 -0.02 1.98 0.00 0.00 0.00 176.54 178.50 3gkf h MET 36 N 1.12 0.57 -0.57 4.80 1.85 -1.50 -0.74 114.93 120.45 3gkf h MET 36 Ca 0.29 -0.19 0.02 0.00 -0.61 0.00 0.00 59.70 59.21 3gkf h MET 36 Cb -0.03 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 31.93 3gkf h MET 36 CO -0.05 0.72 0.38 1.96 -0.40 0.00 0.00 176.91 179.52 3gkf h GLN 37 N 0.36 0.70 -0.41 0.39 4.20 -0.56 -1.64 115.11 118.15 3gkf h GLN 37 Ca 0.09 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 3gkf h GLN 37 Cb 0.48 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 3gkf h GLN 37 CO 0.02 0.46 0.07 1.03 -0.67 0.00 0.00 178.83 179.75 3gkf h SER 38 N 0.72 0.64 -0.49 1.46 0.87 0.31 -0.20 113.55 116.86 3gkf h SER 38 Ca 0.22 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 3gkf h SER 38 Cb -0.00 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3gkf h SER 38 CO -0.05 0.73 0.19 0.03 -0.53 0.00 0.00 176.83 177.19 3gkf h ARG 39 N 0.52 0.75 -0.65 2.24 3.08 -0.48 -2.24 114.38 117.59 3gkf h ARG 39 Ca 0.12 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3gkf h ARG 39 Cb 0.36 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3gkf h ARG 39 CO 0.01 0.68 0.33 -0.07 -1.07 0.00 0.00 179.97 179.84 3gkf h LEU 40 N 0.66 0.81 -1.55 3.04 3.38 -1.20 -1.87 115.31 118.58 3gkf h LEU 40 Ca 0.16 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3gkf h LEU 40 Cb 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3gkf h LEU 40 CO -0.01 0.68 -0.21 0.28 0.09 0.00 0.00 178.44 179.27 3gkf h SER 41 N 0.91 0.00 -0.51 -0.43 0.02 -0.60 0.19 113.55 113.13 3gkf h SER 41 Ca 0.23 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.08 3gkf h SER 41 Cb 0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3gkf h SER 41 CO -0.03 0.21 -0.05 0.03 -1.14 0.00 0.00 176.83 175.84 3gkf h ARG 42 N 0.00 0.94 0.05 3.45 3.08 -0.77 -3.34 114.38 117.79 3gkf h ARG 42 Ca -0.00 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 3gkf h ARG 42 Cb 0.52 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3gkf h ARG 42 CO 0.03 0.98 -0.02 0.82 -1.07 0.00 0.00 179.97 180.71 3gkf h ILE 43 N 0.80 1.10 -3.83 2.04 2.04 -1.09 -3.44 117.51 115.12 3gkf h ILE 43 Ca 0.14 -1.61 -0.64 0.00 1.00 0.00 0.00 64.86 63.75 3gkf h ILE 43 Cb 0.60 1.99 -0.17 0.00 -0.74 0.00 0.00 36.82 38.50 3gkf h ILE 43 CO 0.04 0.34 -0.53 -0.36 0.00 0.00 0.00 178.15 177.64 3gkf s PHE 44 N -2.58 3.22 0.09 1.37 0.08 0.57 -4.51 117.98 116.23 3gkf s PHE 44 Ca -0.13 0.10 -0.33 0.00 0.12 0.00 0.00 56.93 56.69 3gkf s PHE 44 Cb -0.01 -2.35 -0.12 0.00 -0.57 0.00 0.00 43.02 39.97 3gkf s PHE 44 CO 0.48 -0.14 1.74 -1.71 -0.10 0.00 0.00 175.22 175.49 3gkf n ASN 45 N 4.93 3.54 -0.20 1.36 2.85 -0.04 -4.46 115.26 123.23 3gkf n ASN 45 Ca -0.14 1.03 -0.03 0.00 -0.11 0.00 0.00 54.58 55.32 3gkf n ASN 45 Cb 0.52 -1.46 0.17 0.00 1.24 0.00 0.00 39.78 40.25 3gkf n ASN 45 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3gkf h PRO 46 N 7.58 0.98 0.43 1.20 0.11 -1.90 2.34 132.00 142.74 3gkf h PRO 46 Ca -0.46 -0.15 -0.02 0.00 0.11 0.00 0.00 66.00 65.48 3gkf h PRO 46 Cb 1.24 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3gkf h PRO 46 CO 0.93 0.79 -0.21 0.87 -0.21 0.00 0.00 178.00 180.17 3gkf h LYS 47 N 0.97 -0.55 0.00 1.05 1.79 -1.98 -3.34 116.57 114.51 3gkf h LYS 47 Ca 0.23 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3gkf h LYS 47 Cb 0.16 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3gkf h LYS 47 CO -0.02 -0.28 -0.99 0.25 -1.08 0.00 0.00 179.45 177.33 3gkf n THR 48 N -5.26 0.07 -2.13 -0.16 -2.24 -1.16 -4.97 114.28 98.42 3gkf n THR 48 Ca -0.11 -0.13 -0.16 0.00 -2.27 0.00 0.00 64.05 61.38 3gkf n THR 48 Cb 0.28 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.96 3gkf n THR 48 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gkf n GLY 49 N 1.43 0.10 3.21 3.38 0.00 0.79 -4.97 105.19 109.13 3gkf n GLY 49 Ca 0.03 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 3gkf n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gkf s LYS 50 N -4.50 1.13 -0.01 1.61 1.02 -1.20 -4.78 119.74 113.01 3gkf s LYS 50 Ca 0.00 -1.57 -0.07 0.00 0.02 0.00 0.00 55.97 54.35 3gkf s LYS 50 Cb 0.00 0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 3gkf s LYS 50 CO 0.00 -0.28 0.13 -0.08 -0.92 0.00 0.00 175.35 174.20 3gkf s THR 51 N -3.96 0.07 -0.29 2.17 -1.32 -0.05 -0.87 115.64 111.39 3gkf s THR 51 Ca 0.31 -0.59 -0.04 0.00 -1.21 0.00 0.00 61.69 60.16 3gkf s THR 51 Cb 0.07 -0.39 0.03 0.00 -1.51 0.00 0.00 72.50 70.70 3gkf s THR 51 CO 0.07 -0.32 0.03 -0.69 -2.21 0.00 0.00 174.62 171.50 3gkf s VAL 52 N -1.14 3.47 -0.17 5.08 1.01 -1.26 -2.39 120.40 124.99 3gkf s VAL 52 Ca -0.12 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 3gkf s VAL 52 Cb -0.07 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3gkf s VAL 52 CO 0.01 0.03 -0.00 -0.32 0.00 0.00 0.00 175.10 174.82 3gkf s MET 53 N 1.39 3.75 -0.52 2.72 0.00 -0.79 -0.47 119.30 125.38 3gkf s MET 53 Ca -0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 55.69 55.08 3gkf s MET 53 Cb -0.18 -3.02 0.13 0.00 0.00 0.00 0.00 34.83 31.76 3gkf s MET 53 CO 0.00 0.22 0.45 -1.17 0.00 0.00 0.00 175.02 174.52 3gkf s LEU 54 N 0.45 6.02 -0.22 4.11 2.96 -0.18 -3.95 118.68 127.87 3gkf s LEU 54 Ca -0.01 -1.84 -0.10 0.00 -0.22 0.00 0.00 54.13 51.95 3gkf s LEU 54 Cb -0.14 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 3gkf s LEU 54 CO 0.02 -0.80 0.13 0.00 -1.32 0.00 0.00 176.35 174.39 3gkf s ALA 55 N 1.50 3.60 -0.35 5.97 0.00 -1.26 -1.87 121.76 129.35 3gkf s ALA 55 Ca 0.04 -0.80 0.14 0.00 0.00 0.00 0.00 51.96 51.34 3gkf s ALA 55 Cb -0.29 -2.21 0.45 0.00 0.00 0.00 0.00 23.12 21.08 3gkf s ALA 55 CO 0.02 -0.02 1.02 1.97 0.00 0.00 0.00 175.76 178.75 3gkf n PHE 56 N 3.91 1.91 1.10 0.00 1.16 0.76 -4.69 117.46 121.62 3gkf n PHE 56 Ca -0.16 -2.82 0.12 0.00 -1.87 0.00 0.00 57.45 52.72 3gkf n PHE 56 Cb 0.52 -0.28 0.16 0.00 -1.61 0.00 0.00 39.48 38.28 3gkf n PHE 56 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 3gkf n ASP 57 N -0.25 2.34 0.17 5.98 5.75 -1.23 -4.50 116.55 124.81 3gkf n ASP 57 Ca 0.19 -1.70 0.16 0.00 -0.01 0.00 0.00 54.79 53.43 3gkf n ASP 57 Cb 0.78 0.14 0.76 0.00 -1.03 0.00 0.00 41.12 41.76 3gkf n ASP 57 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3gkf h HIS 58 N 3.44 0.00 -0.07 2.11 -0.00 -1.93 0.02 115.15 118.72 3gkf h HIS 58 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 3gkf h HIS 58 Cb 0.81 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.22 3gkf h HIS 58 CO 0.00 0.00 0.52 0.78 -0.00 0.00 0.00 177.93 179.23 3gkf h GLY 59 N 0.00 0.00 1.45 2.45 0.00 -1.79 -1.71 103.07 103.47 3gkf h GLY 59 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 3gkf h GLY 59 CO -0.00 0.00 0.29 0.10 0.00 0.00 0.00 176.54 176.93 3gkf h TYR 60 N 0.00 0.71 0.00 5.60 -0.00 -1.27 -1.90 116.97 120.11 3gkf h TYR 60 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.76 3gkf h TYR 60 Cb 1.07 -0.23 0.00 0.00 0.00 0.00 0.00 36.73 37.57 3gkf h TYR 60 CO 0.00 0.50 0.00 1.97 -0.00 0.00 0.00 178.16 180.63 3gkf n PHE 61 N -4.40 0.00 0.28 0.10 1.16 -1.04 -4.70 117.46 108.87 3gkf n PHE 61 Ca 0.05 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.66 3gkf n PHE 61 Cb 0.10 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.92 3gkf n PHE 61 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 3gkf n GLN 62 N -0.31 3.61 0.00 3.97 6.02 -0.67 -2.06 117.38 127.94 3gkf n GLN 62 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3gkf n GLN 62 Cb 0.02 -0.93 0.00 0.00 1.02 0.00 0.00 30.24 30.35 3gkf n GLN 62 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gkf n GLY 63 N 1.36 -0.41 3.27 1.08 0.00 -0.73 -4.26 105.19 105.50 3gkf n GLY 63 Ca 0.01 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 3gkf n GLY 63 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gkf n PRO 64 N 0.00 2.32 -1.08 1.61 -0.02 -1.26 -3.96 135.00 132.61 3gkf n PRO 64 Ca 0.00 -2.58 -0.34 0.00 -2.02 0.00 0.00 63.50 58.56 3gkf n PRO 64 Cb 0.00 -3.37 0.12 0.00 -0.02 0.00 0.00 33.50 30.23 3gkf n PRO 64 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3gkf n THR 65 N 6.35 1.66 -1.71 3.45 -1.04 -1.26 -4.67 114.28 117.06 3gkf n THR 65 Ca 0.49 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.05 61.84 3gkf n THR 65 Cb 0.43 -1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 67.88 3gkf n THR 65 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3gkf n THR 66 N -3.20 0.06 0.00 12.58 -1.04 -1.26 -1.20 114.28 120.22 3gkf n THR 66 Ca 0.12 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 3gkf n THR 66 Cb 0.51 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.02 3gkf n THR 66 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gkf n GLY 67 N 4.01 2.35 0.91 3.41 0.00 -1.26 -4.77 105.19 109.83 3gkf n GLY 67 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 3gkf n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gkf n LEU 68 N 0.00 3.59 -0.01 0.99 4.77 -0.34 -4.64 117.00 121.36 3gkf n LEU 68 Ca 0.00 -2.40 -0.09 0.00 -0.03 0.00 0.00 56.01 53.49 3gkf n LEU 68 Cb 0.00 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 3gkf n LEU 68 CO 0.00 0.74 0.79 -0.33 -1.33 0.00 0.00 177.39 177.25 3gkf h GLU 69 N 2.39 -0.12 -3.13 3.23 3.07 -1.78 -3.35 114.58 114.89 3gkf h GLU 69 Ca 0.00 0.01 -0.62 0.00 -0.50 0.00 0.00 59.36 58.25 3gkf h GLU 69 Cb 1.09 0.03 -0.40 0.00 -0.84 0.00 0.00 28.75 28.63 3gkf h GLU 69 CO 0.11 -0.08 -0.70 1.03 -1.40 0.00 0.00 179.01 177.97 3gkf s ARG 70 N -6.17 1.54 0.27 2.33 1.81 -1.26 -4.95 118.95 112.52 3gkf s ARG 70 Ca -0.14 -2.24 -0.02 0.00 -1.72 0.00 0.00 55.73 51.61 3gkf s ARG 70 Cb 0.10 -2.70 0.43 0.00 -0.45 0.00 0.00 34.95 32.33 3gkf s ARG 70 CO 0.68 -1.14 1.87 0.82 -0.68 0.00 0.00 175.30 176.85 3gkf h ILE 71 N 5.33 1.05 -0.03 1.52 1.08 -1.88 -0.55 117.51 124.03 3gkf h ILE 71 Ca -0.03 -0.39 0.01 0.00 -0.39 0.00 0.00 64.86 64.06 3gkf h ILE 71 Cb 0.91 -0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 34.49 3gkf h ILE 71 CO 0.56 0.21 0.02 -2.24 -0.69 0.00 0.00 178.15 176.00 3gkf h ASP 72 N 1.13 0.00 0.00 1.72 2.03 -1.92 -1.36 116.42 118.01 3gkf h ASP 72 Ca 0.44 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.52 3gkf h ASP 72 Cb 0.23 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.69 3gkf h ASP 72 CO -0.19 0.00 -1.66 -0.38 -1.03 0.00 0.00 179.24 175.98 3gkf n ILE 73 N -4.47 1.33 0.21 4.15 5.41 -0.91 -4.12 119.36 120.97 3gkf n ILE 73 Ca -0.02 -0.11 -0.15 0.00 1.00 0.00 0.00 62.75 63.47 3gkf n ILE 73 Cb 0.11 -1.97 -0.08 0.00 -0.71 0.00 0.00 39.64 36.99 3gkf n ILE 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 3gkf h ASN 74 N -0.81 -0.42 0.59 4.38 -1.24 -1.20 -3.36 115.58 113.52 3gkf h ASN 74 Ca -0.34 -0.03 -0.15 0.00 0.71 0.00 0.00 56.30 56.50 3gkf h ASN 74 Cb 1.21 0.11 -0.03 0.00 0.73 0.00 0.00 38.32 40.35 3gkf h ASN 74 CO -0.20 -0.24 -1.53 -0.38 -1.29 0.00 0.00 177.43 173.79 3gkf n ILE 75 N -5.27 0.99 -0.23 2.57 2.08 -0.66 -4.33 119.36 114.51 3gkf n ILE 75 Ca -0.11 -0.67 0.03 0.00 0.56 0.00 0.00 62.75 62.57 3gkf n ILE 75 Cb 0.23 -0.57 0.15 0.00 -0.75 0.00 0.00 39.64 38.70 3gkf n ILE 75 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gkf h ALA 76 N 1.53 0.88 0.00 -1.39 0.00 -1.44 0.22 119.26 119.06 3gkf h ALA 76 Ca -0.16 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gkf h ALA 76 Cb 1.51 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 3gkf h ALA 76 CO 0.03 -0.29 -0.00 -1.35 0.00 0.00 0.00 179.25 177.64 3gkf h PRO 77 N 0.32 0.00 0.00 0.00 0.10 -1.75 -2.99 132.00 127.67 3gkf h PRO 77 Ca 0.37 0.00 -0.01 0.00 0.10 0.00 0.00 66.00 66.47 3gkf h PRO 77 Cb 0.58 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 31.68 3gkf h PRO 77 CO -0.43 0.00 -0.05 -0.07 0.10 0.00 0.00 178.00 177.55 3gkf h LEU 78 N 0.00 0.00 -0.36 2.35 3.38 -0.79 -3.38 115.31 116.51 3gkf h LEU 78 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3gkf h LEU 78 Cb 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3gkf h LEU 78 CO 0.00 0.03 0.19 -0.26 0.09 0.00 0.00 178.44 178.49 3gkf h PHE 79 N 0.00 0.35 -0.02 1.13 0.04 -1.52 -2.45 116.94 114.47 3gkf h PHE 79 Ca -0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3gkf h PHE 79 Cb 1.02 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 39.07 3gkf h PHE 79 CO 0.00 0.19 0.05 1.05 -0.60 0.00 0.00 178.31 179.00 3gkf h GLU 80 N 0.39 0.00 -0.64 1.51 4.11 -1.82 -1.29 114.58 116.83 3gkf h GLU 80 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 3gkf h GLU 80 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3gkf h GLU 80 CO -0.09 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.71 3gkf n HIS 81 N -3.31 1.41 -4.42 2.06 8.25 -0.92 -4.89 115.22 113.39 3gkf n HIS 81 Ca -0.02 -0.55 -0.31 0.00 -0.26 0.00 0.00 57.72 56.57 3gkf n HIS 81 Cb 0.12 -0.25 -0.11 0.00 1.12 0.00 0.00 29.99 30.88 3gkf n HIS 81 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gkf s ALA 82 N -1.90 2.90 0.06 -1.41 0.00 -0.49 -4.88 121.76 116.05 3gkf s ALA 82 Ca 0.47 -1.14 -0.15 0.00 0.00 0.00 0.00 51.96 51.14 3gkf s ALA 82 Cb 0.31 -0.96 -0.25 0.00 0.00 0.00 0.00 23.12 22.21 3gkf s ALA 82 CO 0.22 0.62 1.15 -0.44 0.00 0.00 0.00 175.76 177.30 3gkf h ASP 83 N 4.20 0.88 -4.21 0.00 3.32 -1.08 -3.47 116.42 116.06 3gkf h ASP 83 Ca -0.48 -0.77 -0.17 0.00 0.02 0.00 0.00 57.03 55.62 3gkf h ASP 83 Cb 1.16 -0.27 -0.24 0.00 0.22 0.00 0.00 39.33 40.20 3gkf h ASP 83 CO 0.52 1.55 -0.53 0.54 -1.72 0.00 0.00 179.24 179.60 3gkf s VAL 84 N -3.19 0.03 0.07 -1.35 0.11 -1.09 -4.14 120.40 110.85 3gkf s VAL 84 Ca -0.10 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 58.72 3gkf s VAL 84 Cb 0.06 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.58 3gkf s VAL 84 CO 0.92 -0.14 0.16 -0.76 -3.33 0.00 0.00 175.10 171.95 3gkf s LEU 85 N -0.44 4.12 -0.10 2.54 1.43 0.17 -1.02 118.68 125.39 3gkf s LEU 85 Ca -0.05 0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 3gkf s LEU 85 Cb -0.03 -2.75 0.04 0.00 0.03 0.00 0.00 46.19 43.47 3gkf s LEU 85 CO 0.01 0.17 0.03 -0.32 0.23 0.00 0.00 176.35 176.46 3gkf s MET 86 N -2.49 0.43 0.25 1.70 -2.45 -0.78 -0.02 119.30 115.94 3gkf s MET 86 Ca 0.33 0.05 -0.04 0.00 -1.25 0.00 0.00 55.69 54.78 3gkf s MET 86 Cb -0.13 -1.16 0.02 0.00 1.25 0.00 0.00 34.83 34.81 3gkf s MET 86 CO 0.25 -0.40 0.39 0.00 1.05 0.00 0.00 175.02 176.31 3gkf s THR 88 N -2.61 4.14 0.32 0.00 -4.23 -1.26 -1.00 115.64 111.01 3gkf s THR 88 Ca 0.17 0.18 0.13 0.00 -1.18 0.00 0.00 61.69 60.99 3gkf s THR 88 Cb -0.01 -3.63 0.07 0.00 1.34 0.00 0.00 72.50 70.27 3gkf s THR 88 CO 0.12 -0.66 1.76 0.08 -0.54 0.00 0.00 174.62 175.38 3gkf h ARG 89 N -0.09 0.00 0.15 3.99 0.11 -1.97 -1.13 114.38 115.44 3gkf h ARG 89 Ca -0.46 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.62 3gkf h ARG 89 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 3gkf h ARG 89 CO 0.61 0.44 -0.07 0.78 0.10 0.00 0.00 179.97 181.83 3gkf h GLY 90 N 1.42 -0.21 0.85 0.08 0.00 -1.96 -2.03 103.07 101.22 3gkf h GLY 90 Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3gkf h GLY 90 CO 0.06 -0.08 0.04 -2.22 0.00 0.00 0.00 176.54 174.34 3gkf h ILE 91 N -0.38 1.19 -0.41 2.60 1.08 -1.92 -2.43 117.51 117.25 3gkf h ILE 91 Ca -0.02 -0.60 0.09 0.00 -0.39 0.00 0.00 64.86 63.93 3gkf h ILE 91 Cb 0.30 1.29 -0.09 0.00 -3.07 0.00 0.00 36.82 35.25 3gkf h ILE 91 CO 0.03 0.18 -0.23 0.25 -0.69 0.00 0.00 178.15 177.69 3gkf h LEU 92 N 0.07 -0.79 -0.56 1.44 5.85 -1.18 0.12 115.31 120.27 3gkf h LEU 92 Ca 0.05 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3gkf h LEU 92 Cb 0.24 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3gkf h LEU 92 CO -0.00 -0.26 0.14 0.03 -0.34 0.00 0.00 178.44 178.01 3gkf h ARG 93 N -0.16 0.89 0.08 1.25 3.08 -1.27 -2.36 114.38 115.90 3gkf h ARG 93 Ca 0.20 -0.21 -0.22 0.00 0.07 0.00 0.00 59.98 59.81 3gkf h ARG 93 Cb 0.47 -0.12 0.02 0.00 0.08 0.00 0.00 29.97 30.42 3gkf h ARG 93 CO -0.51 0.83 -0.92 0.66 -1.07 0.00 0.00 179.97 178.96 3gkf h SER 94 N 0.79 0.66 0.00 7.04 4.64 -0.81 -3.41 113.55 122.46 3gkf h SER 94 Ca 0.18 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 3gkf h SER 94 Cb 0.33 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3gkf h SER 94 CO 0.00 1.43 0.00 1.33 -0.87 0.00 0.00 176.83 178.72 3gkf n VAL 95 N -4.02 0.20 -3.66 0.95 0.24 0.34 -4.97 118.33 107.42 3gkf n VAL 95 Ca -0.13 -0.27 -0.37 0.00 -2.04 0.00 0.00 64.34 61.53 3gkf n VAL 95 Cb 0.84 1.16 -0.11 0.00 -1.47 0.00 0.00 33.84 34.26 3gkf n VAL 95 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3gkf s VAL 96 N -0.20 5.05 0.08 3.34 1.01 -0.89 -4.68 120.40 124.11 3gkf s VAL 96 Ca 0.00 0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.75 3gkf s VAL 96 Cb 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 32.92 3gkf s VAL 96 CO 0.00 0.29 1.47 -2.84 0.00 0.00 0.00 175.10 174.02 3gkf s PRO 97 N 1.57 4.27 0.40 2.72 0.02 -1.26 -4.72 135.00 138.01 3gkf s PRO 97 Ca 0.07 2.14 0.15 0.00 0.02 0.00 0.00 61.00 63.38 3gkf s PRO 97 Cb -0.15 -3.39 1.02 0.00 0.02 0.00 0.00 34.50 31.99 3gkf s PRO 97 CO 0.08 -0.56 1.84 -1.35 -0.33 0.00 0.00 177.00 176.68 3gkf h PRO 98 N 7.38 0.47 0.00 5.54 0.11 -1.95 0.12 132.00 143.67 3gkf h PRO 98 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gkf h PRO 98 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3gkf h PRO 98 CO 0.89 0.31 0.00 0.00 -0.21 0.00 0.00 178.00 178.99 3gkf n ALA 99 N -2.48 1.80 0.30 -0.75 0.00 -1.26 -2.54 120.51 115.58 3gkf n ALA 99 Ca 0.20 -0.07 0.19 0.00 0.00 0.00 0.00 53.44 53.76 3gkf n ALA 99 Cb 0.67 -1.23 0.97 0.00 0.00 0.00 0.00 19.45 19.86 3gkf n ALA 99 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3gkf h THR 100 N 0.00 0.12 -6.70 0.00 2.02 -1.13 -3.44 112.91 103.78 3gkf h THR 100 Ca 0.00 0.00 -0.54 0.00 0.77 0.00 0.00 66.41 66.64 3gkf h THR 100 Cb 0.14 0.83 -0.19 0.00 -1.74 0.00 0.00 68.15 67.20 3gkf h THR 100 CO 0.00 0.00 -0.83 -3.20 0.37 0.00 0.00 175.52 171.86 3gkf n ASN 101 N -3.20 -3.33 -4.31 4.18 5.15 -1.05 -4.87 115.26 107.83 3gkf n ASN 101 Ca -0.01 -0.99 -0.28 0.00 -0.60 0.00 0.00 54.58 52.70 3gkf n ASN 101 Cb 0.26 -2.86 -0.14 0.00 -0.53 0.00 0.00 39.78 36.50 3gkf n ASN 101 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3gkf s ARG 102 N -6.89 1.58 0.38 1.20 6.06 -1.26 -5.11 118.95 114.90 3gkf s ARG 102 Ca 0.71 -1.06 -0.27 0.00 -2.50 0.00 0.00 55.73 52.61 3gkf s ARG 102 Cb -0.38 -1.75 -0.10 0.00 0.06 0.00 0.00 34.95 32.77 3gkf s ARG 102 CO 0.92 0.45 1.36 -2.14 -2.50 0.00 0.00 175.30 173.38 3gkf s PRO 103 N -1.29 4.12 0.06 5.12 0.02 -1.26 -4.80 135.00 136.97 3gkf s PRO 103 Ca 0.10 2.30 0.09 0.00 0.02 0.00 0.00 61.00 63.51 3gkf s PRO 103 Cb -0.09 -2.91 -0.03 0.00 0.02 0.00 0.00 34.50 31.48 3gkf s PRO 103 CO 0.02 -0.42 -0.24 0.14 -0.33 0.00 0.00 177.00 176.17 3gkf s VAL 104 N -1.18 2.35 -0.37 3.83 -7.23 -1.26 -0.66 120.40 115.88 3gkf s VAL 104 Ca 0.53 -1.42 -0.09 0.00 -1.81 0.00 0.00 61.98 59.20 3gkf s VAL 104 Cb -0.41 -1.97 0.04 0.00 0.56 0.00 0.00 36.38 34.60 3gkf s VAL 104 CO 0.54 0.30 0.19 -0.69 -0.31 0.00 0.00 175.10 175.13 3gkf s VAL 105 N -0.90 4.25 0.16 1.32 1.01 0.97 -1.17 120.40 126.05 3gkf s VAL 105 Ca 0.13 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 3gkf s VAL 105 Cb -0.10 -3.43 -0.08 0.00 0.00 0.00 0.00 36.38 32.77 3gkf s VAL 105 CO 0.04 -0.28 1.26 -0.76 0.00 0.00 0.00 175.10 175.36 3gkf s LEU 106 N 1.48 4.41 -0.10 3.92 1.43 -0.29 -3.30 118.68 126.23 3gkf s LEU 106 Ca 0.01 2.27 -0.30 0.00 -1.03 0.00 0.00 54.13 55.08 3gkf s LEU 106 Cb -0.20 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.41 3gkf s LEU 106 CO 0.04 -0.48 1.02 -0.60 0.23 0.00 0.00 176.35 176.57 3gkf s ARG 107 N 0.19 4.42 -0.08 1.70 6.06 -0.17 0.04 118.95 131.12 3gkf s ARG 107 Ca 0.57 1.41 0.12 0.00 -2.50 0.00 0.00 55.73 55.32 3gkf s ARG 107 Cb -0.34 -3.54 0.18 0.00 0.06 0.00 0.00 34.95 31.31 3gkf s ARG 107 CO 0.35 -0.32 1.08 0.00 -2.50 0.00 0.00 175.30 173.92 3gkf n ALA 108 N 4.99 2.14 -2.53 6.12 0.00 0.34 -4.49 120.51 127.08 3gkf n ALA 108 Ca 0.09 -2.01 -0.25 0.00 0.00 0.00 0.00 53.44 51.27 3gkf n ALA 108 Cb 0.49 -0.25 -0.10 0.00 0.00 0.00 0.00 19.45 19.58 3gkf n ALA 108 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gkf s SER 109 N -2.15 3.63 0.00 0.00 1.04 -1.21 0.18 113.70 115.19 3gkf s SER 109 Ca 0.20 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.44 3gkf s SER 109 Cb 0.17 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.97 3gkf s SER 109 CO 0.02 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3gkf n GLY 110 N -0.76 -0.55 2.01 7.32 0.00 -0.35 -4.63 105.19 108.22 3gkf n GLY 110 Ca -0.05 -0.74 -0.00 0.00 0.00 0.00 0.00 46.02 45.22 3gkf n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n ALA 111 N 0.00 -0.00 -2.60 4.61 0.00 -1.26 -0.57 120.51 120.69 3gkf n ALA 111 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3gkf n ALA 111 Cb 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.27 3gkf n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gkf s ASN 112 N -2.22 5.01 0.22 0.00 4.22 -1.23 -4.77 114.94 116.17 3gkf s ASN 112 Ca 0.00 -0.56 0.04 0.00 -2.14 0.00 0.00 52.86 50.20 3gkf s ASN 112 Cb 0.00 -0.96 -0.05 0.00 1.28 0.00 0.00 41.25 41.52 3gkf s ASN 112 CO 0.00 -0.21 -0.03 -0.94 -2.04 0.00 0.00 177.10 173.88 3gkf s SER 113 N -3.86 1.91 0.00 3.54 1.04 -1.26 -4.44 113.70 110.62 3gkf s SER 113 Ca 0.37 -1.18 0.21 0.00 0.48 0.00 0.00 55.95 55.83 3gkf s SER 113 Cb -0.05 -0.01 1.09 0.00 0.10 0.00 0.00 66.02 67.15 3gkf s SER 113 CO 0.24 -0.46 1.66 2.30 0.98 0.00 0.00 173.24 177.96 3gkf n ILE 114 N -0.39 0.30 1.22 -1.02 -5.35 -0.88 -2.60 119.36 110.64 3gkf n ILE 114 Ca -0.06 0.07 0.13 0.00 -0.27 0.00 0.00 62.75 62.62 3gkf n ILE 114 Cb 0.63 -0.73 0.33 0.00 -1.74 0.00 0.00 39.64 38.12 3gkf n ILE 114 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3gkf n LEU 115 N -1.24 1.20 0.00 7.28 4.77 -1.26 -4.95 117.00 122.81 3gkf n LEU 115 Ca 0.11 -0.35 -0.06 0.00 -0.03 0.00 0.00 56.01 55.69 3gkf n LEU 115 Cb 0.15 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3gkf n LEU 115 CO 0.15 0.22 -0.02 0.00 -1.33 0.00 0.00 177.39 176.41 3gkf n ALA 116 N -0.51 0.19 -1.67 -1.18 0.00 -1.07 -5.10 120.51 111.17 3gkf n ALA 116 Ca 0.12 -0.55 -0.47 0.00 0.00 0.00 0.00 53.44 52.54 3gkf n ALA 116 Cb 0.37 0.45 -0.04 0.00 0.00 0.00 0.00 19.45 20.22 3gkf n ALA 116 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3gkf n GLU 117 N -0.18 2.13 -0.11 0.00 4.07 -1.26 -4.73 120.64 120.56 3gkf n GLU 117 Ca 0.02 0.77 -0.05 0.00 -0.06 0.00 0.00 57.16 57.85 3gkf n GLU 117 Cb 0.17 -2.55 0.16 0.00 -0.06 0.00 0.00 31.44 29.16 3gkf n GLU 117 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3gkf h LEU 118 N 6.53 0.76 -0.03 4.31 5.85 -1.95 -3.11 115.31 127.67 3gkf h LEU 118 Ca -0.46 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.08 3gkf h LEU 118 Cb 1.26 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3gkf h LEU 118 CO 0.90 0.84 -0.01 -1.54 -0.34 0.00 0.00 178.44 178.29 3gkf n SER 119 N -4.21 0.05 -4.09 1.25 3.41 -1.26 -4.61 113.62 104.16 3gkf n SER 119 Ca 0.02 -0.60 -0.40 0.00 -0.26 0.00 0.00 58.87 57.64 3gkf n SER 119 Cb 0.31 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 3gkf n SER 119 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gkf n ASN 120 N -1.11 3.72 -4.52 4.04 5.15 -1.18 -4.57 115.26 116.79 3gkf n ASN 120 Ca 0.19 -2.80 -0.28 0.00 -0.60 0.00 0.00 54.58 51.09 3gkf n ASN 120 Cb 0.18 -1.57 -0.10 0.00 -0.53 0.00 0.00 39.78 37.76 3gkf n ASN 120 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3gkf s GLU 121 N 4.48 1.90 0.22 1.20 2.02 -1.26 -3.50 118.70 123.76 3gkf s GLU 121 Ca 0.55 -1.28 0.04 0.00 0.02 0.00 0.00 54.97 54.30 3gkf s GLU 121 Cb 0.09 -2.10 -0.05 0.00 0.10 0.00 0.00 34.13 32.17 3gkf s GLU 121 CO 0.05 0.44 -0.02 0.00 0.02 0.00 0.00 175.26 175.75 3gkf s ALA 122 N -1.52 1.75 0.16 5.21 0.00 0.27 -4.69 121.76 122.93 3gkf s ALA 122 Ca 0.22 -1.72 -0.32 0.00 0.00 0.00 0.00 51.96 50.15 3gkf s ALA 122 Cb -0.09 0.41 -0.11 0.00 0.00 0.00 0.00 23.12 23.33 3gkf s ALA 122 CO 0.13 -0.22 1.67 0.08 0.00 0.00 0.00 175.76 177.42 3gkf s VAL 123 N -3.40 2.46 -1.98 0.00 1.01 -1.26 -1.21 120.40 116.01 3gkf s VAL 123 Ca 0.26 0.25 0.18 0.00 0.00 0.00 0.00 61.98 62.67 3gkf s VAL 123 Cb 0.05 -3.16 0.26 0.00 0.00 0.00 0.00 36.38 33.53 3gkf s VAL 123 CO 0.07 0.01 1.18 0.00 0.00 0.00 0.00 175.10 176.37 3gkf n ALA 124 N 4.43 2.41 -3.50 5.51 0.00 0.47 -4.83 120.51 125.00 3gkf n ALA 124 Ca 0.15 -0.84 -0.10 0.00 0.00 0.00 0.00 53.44 52.65 3gkf n ALA 124 Cb 0.38 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 3gkf n ALA 124 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3gkf s LEU 125 N -1.32 -0.42 0.36 0.00 0.05 -1.25 -4.91 118.68 111.19 3gkf s LEU 125 Ca 0.26 0.10 -0.15 0.00 0.05 0.00 0.00 54.13 54.39 3gkf s LEU 125 Cb 0.16 2.13 -0.09 0.00 -2.05 0.00 0.00 46.19 46.35 3gkf s LEU 125 CO 0.23 -0.64 0.79 -0.94 -0.55 0.00 0.00 176.35 175.24 3gkf s SER 126 N -2.27 6.76 0.55 1.48 1.04 -1.26 -4.90 113.70 115.10 3gkf s SER 126 Ca 0.02 1.34 0.22 0.00 0.48 0.00 0.00 55.95 58.02 3gkf s SER 126 Cb -0.01 -2.40 1.48 0.00 0.10 0.00 0.00 66.02 65.19 3gkf s SER 126 CO -0.07 -0.28 2.15 -0.03 0.98 0.00 0.00 173.24 175.99 3gkf h MET 127 N 1.99 0.00 -0.34 4.02 4.05 -1.97 -0.03 114.93 122.65 3gkf h MET 127 Ca -0.48 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.01 3gkf h MET 127 Cb 1.18 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.92 3gkf h MET 127 CO 0.64 0.00 -0.04 0.22 0.23 0.00 0.00 176.91 177.96 3gkf h ASP 128 N 0.00 -0.22 0.43 1.39 3.58 -1.98 0.29 116.42 119.91 3gkf h ASP 128 Ca 0.05 0.09 -0.18 0.00 0.42 0.00 0.00 57.03 57.41 3gkf h ASP 128 Cb 0.20 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 3gkf h ASP 128 CO -0.00 -0.07 -0.74 -0.78 -2.88 0.00 0.00 179.24 174.76 3gkf h ASP 129 N 0.05 0.31 -0.79 2.28 3.58 -1.42 -1.53 116.42 118.90 3gkf h ASP 129 Ca 0.16 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 3gkf h ASP 129 Cb 0.24 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 3gkf h ASP 129 CO -0.31 0.95 0.42 0.00 -2.88 0.00 0.00 179.24 177.41 3gkf h ALA 130 N 1.04 1.23 -0.29 -0.78 0.00 -0.21 0.36 119.26 120.61 3gkf h ALA 130 Ca -0.03 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 3gkf h ALA 130 Cb 1.31 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3gkf h ALA 130 CO 0.12 0.61 -0.50 0.28 0.00 0.00 0.00 179.25 179.76 3gkf h VAL 131 N 1.13 1.28 0.00 0.00 2.07 -0.38 -2.33 116.25 118.01 3gkf h VAL 131 Ca 0.28 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 3gkf h VAL 131 Cb 0.06 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3gkf h VAL 131 CO -0.04 0.55 -0.02 -0.09 0.02 0.00 0.00 177.57 177.98 3gkf h ARG 132 N 0.64 0.00 -0.65 1.57 2.43 -0.14 -0.94 114.38 117.28 3gkf h ARG 132 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3gkf h ARG 132 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3gkf h ARG 132 CO 0.11 0.02 0.00 1.28 -1.51 0.00 0.00 179.97 179.87 3gkf n LEU 133 N -4.21 3.60 -3.67 3.80 4.77 -0.01 -4.95 117.00 116.33 3gkf n LEU 133 Ca -0.03 -1.80 -0.23 0.00 -0.03 0.00 0.00 56.01 53.92 3gkf n LEU 133 Cb 0.11 -0.45 0.05 0.00 -2.33 0.00 0.00 43.42 40.80 3gkf n LEU 133 CO 0.31 0.85 0.08 -3.20 -1.33 0.00 0.00 177.39 174.11 3gkf n ASN 134 N 1.34 -3.38 -4.83 -1.43 5.15 -0.36 -4.94 115.26 106.81 3gkf n ASN 134 Ca 0.22 -0.70 -0.32 0.00 -0.60 0.00 0.00 54.58 53.18 3gkf n ASN 134 Cb 0.59 -4.48 -0.00 0.00 -0.53 0.00 0.00 39.78 35.35 3gkf n ASN 134 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3gkf s SER 135 N -3.89 6.14 0.13 1.20 0.01 -0.92 -4.77 113.70 111.60 3gkf s SER 135 Ca 0.29 1.65 0.22 0.00 1.31 0.00 0.00 55.95 59.42 3gkf s SER 135 Cb -0.14 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.52 3gkf s SER 135 CO 0.78 -0.92 0.92 0.00 0.41 0.00 0.00 173.24 174.43 3gkf s ALA 137 N -3.38 -1.95 0.02 0.00 0.00 -1.22 -4.15 121.76 111.07 3gkf s ALA 137 Ca -0.02 0.88 0.07 0.00 0.00 0.00 0.00 51.96 52.90 3gkf s ALA 137 Cb 0.11 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 3gkf s ALA 137 CO 0.82 -0.84 -0.21 0.14 0.00 0.00 0.00 175.76 175.67 3gkf s VAL 138 N -2.80 1.68 0.07 0.00 -7.23 -0.76 -1.14 120.40 110.22 3gkf s VAL 138 Ca 0.10 -1.09 0.08 0.00 -1.81 0.00 0.00 61.98 59.26 3gkf s VAL 138 Cb 0.00 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 3gkf s VAL 138 CO -0.04 0.31 -0.23 0.00 -0.31 0.00 0.00 175.10 174.83 3gkf s ALA 139 N -0.68 1.97 0.13 1.32 0.00 0.11 -0.28 121.76 124.32 3gkf s ALA 139 Ca 0.08 -1.20 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 3gkf s ALA 139 Cb -0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 3gkf s ALA 139 CO 0.01 0.44 0.22 0.00 0.00 0.00 0.00 175.76 176.43 3gkf s ALA 140 N -0.91 -0.04 -0.03 0.00 0.00 -0.29 0.12 121.76 120.62 3gkf s ALA 140 Ca 0.09 -0.81 -0.09 0.00 0.00 0.00 0.00 51.96 51.15 3gkf s ALA 140 Cb -0.09 0.69 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 3gkf s ALA 140 CO 0.03 -0.57 0.28 -0.65 0.00 0.00 0.00 175.76 174.85 3gkf s GLN 141 N -3.92 3.65 0.00 0.00 -1.52 -1.26 -0.65 119.66 115.95 3gkf s GLN 141 Ca 0.12 0.07 0.06 0.00 -1.95 0.00 0.00 55.36 53.65 3gkf s GLN 141 Cb 0.04 -3.14 -0.03 0.00 -0.22 0.00 0.00 33.01 29.66 3gkf s GLN 141 CO -0.05 0.69 -0.16 0.54 -0.25 0.00 0.00 175.29 176.06 3gkf s VAL 142 N -1.17 2.90 -0.57 1.09 0.11 0.19 -4.76 120.40 118.18 3gkf s VAL 142 Ca 0.23 -0.99 0.06 0.00 -2.93 0.00 0.00 61.98 58.36 3gkf s VAL 142 Cb -0.14 -2.18 0.25 0.00 -1.53 0.00 0.00 36.38 32.78 3gkf s VAL 142 CO 0.12 0.45 0.68 -1.22 -3.33 0.00 0.00 175.10 171.80 3gkf n TYR 143 N 1.87 2.58 -1.73 1.54 4.01 -1.26 -0.62 117.16 123.55 3gkf n TYR 143 Ca -0.16 -4.00 -0.42 0.00 -0.16 0.00 0.00 57.90 53.15 3gkf n TYR 143 Cb 0.52 -0.50 -0.01 0.00 -0.31 0.00 0.00 39.34 39.04 3gkf n TYR 143 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3gkf n ILE 144 N 1.02 1.75 0.00 -0.72 2.08 -1.26 -2.02 119.36 120.21 3gkf n ILE 144 Ca 0.27 -0.44 0.00 0.00 0.56 0.00 0.00 62.75 63.15 3gkf n ILE 144 Cb 0.44 -1.77 0.00 0.00 -0.75 0.00 0.00 39.64 37.56 3gkf n ILE 144 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gkf n GLY 145 N 1.00 2.84 3.94 7.39 0.00 -1.26 -4.94 105.19 114.16 3gkf n GLY 145 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 3gkf n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gkf s SER 146 N -2.03 4.15 0.30 1.61 0.01 -0.86 -4.98 113.70 111.90 3gkf s SER 146 Ca 0.00 0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.51 3gkf s SER 146 Cb 0.00 -0.60 0.49 0.00 0.21 0.00 0.00 66.02 66.12 3gkf s SER 146 CO 0.00 -2.04 1.78 -0.08 0.41 0.00 0.00 173.24 173.31 3gkf h GLU 147 N -0.94 0.48 -0.78 12.44 4.81 -1.94 -2.93 114.58 125.74 3gkf h GLU 147 Ca -0.43 -0.15 -0.51 0.00 -0.13 0.00 0.00 59.36 58.14 3gkf h GLU 147 Cb 1.28 -0.04 -0.29 0.00 0.63 0.00 0.00 28.75 30.32 3gkf h GLU 147 CO 0.49 0.64 0.13 0.66 -0.73 0.00 0.00 179.01 180.19 3gkf n TYR 148 N -4.18 2.58 0.07 0.92 4.01 -1.26 -4.68 117.16 114.61 3gkf n TYR 148 Ca 0.00 -2.34 0.02 0.00 -0.16 0.00 0.00 57.90 55.42 3gkf n TYR 148 Cb 0.35 -0.85 0.39 0.00 -0.31 0.00 0.00 39.34 38.91 3gkf n TYR 148 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3gkf h GLU 149 N 1.72 0.38 0.28 -0.72 4.81 -1.65 -1.93 114.58 117.46 3gkf h GLU 149 Ca 0.45 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 3gkf h GLU 149 Cb 1.44 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.76 3gkf h GLU 149 CO 1.02 0.40 -0.13 1.25 -0.73 0.00 0.00 179.01 180.81 3gkf h HIS 150 N 0.37 -0.35 -0.84 0.92 2.76 -1.87 -2.56 115.15 113.58 3gkf h HIS 150 Ca 0.08 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.31 3gkf h HIS 150 Cb 0.24 0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.25 3gkf h HIS 150 CO 0.01 -0.09 0.52 0.37 -1.30 0.00 0.00 177.93 177.43 3gkf h GLN 151 N -0.57 0.91 -0.93 5.26 5.75 -1.89 -1.32 115.11 122.33 3gkf h GLN 151 Ca -0.04 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3gkf h GLN 151 Cb 0.41 -0.21 -0.06 0.00 1.07 0.00 0.00 27.48 28.70 3gkf h GLN 151 CO 0.06 0.60 0.60 0.66 -2.65 0.00 0.00 178.83 178.10 3gkf h SER 152 N 0.94 0.98 -0.21 -0.69 4.64 -1.16 0.81 113.55 118.85 3gkf h SER 152 Ca 0.37 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.52 3gkf h SER 152 Cb 0.18 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3gkf h SER 152 CO -0.18 0.66 -0.55 0.40 -0.87 0.00 0.00 176.83 176.29 3gkf h ILE 153 N 1.13 1.30 -0.96 0.95 2.04 -0.99 -2.36 117.51 118.63 3gkf h ILE 153 Ca 0.38 -1.76 0.16 0.00 1.00 0.00 0.00 64.86 64.63 3gkf h ILE 153 Cb 0.06 1.86 -0.08 0.00 -0.74 0.00 0.00 36.82 37.91 3gkf h ILE 153 CO -0.14 0.56 0.61 0.11 0.00 0.00 0.00 178.15 179.29 3gkf h LYS 154 N 0.45 0.75 -0.15 2.37 1.57 -0.64 0.24 116.57 121.16 3gkf h LYS 154 Ca -0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3gkf h LYS 154 Cb 1.16 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 3gkf h LYS 154 CO 0.12 0.50 0.08 -0.91 -0.57 0.00 0.00 179.45 178.67 3gkf h ASN 155 N 0.77 0.19 -0.43 0.86 2.35 -0.35 0.88 115.58 119.84 3gkf h ASN 155 Ca 0.50 -0.08 0.02 0.00 -0.55 0.00 0.00 56.30 56.19 3gkf h ASN 155 Cb 0.76 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 3gkf h ASN 155 CO -0.27 0.22 0.26 0.40 -1.65 0.00 0.00 177.43 176.39 3gkf h ILE 156 N 0.14 1.06 -0.18 2.81 1.08 -0.65 -1.84 117.51 119.92 3gkf h ILE 156 Ca 0.05 -0.18 0.05 0.00 -0.39 0.00 0.00 64.86 64.39 3gkf h ILE 156 Cb 0.07 0.48 -0.05 0.00 -3.07 0.00 0.00 36.82 34.25 3gkf h ILE 156 CO -0.01 0.10 -0.16 0.40 -0.69 0.00 0.00 178.15 177.79 3gkf h ILE 157 N 0.53 0.57 -0.90 -0.67 2.04 -0.07 -0.24 117.51 118.78 3gkf h ILE 157 Ca 0.17 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.04 3gkf h ILE 157 Cb -0.01 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 3gkf h ILE 157 CO -0.07 0.00 0.59 -0.61 0.00 0.00 0.00 178.15 178.07 3gkf h GLN 158 N -0.17 1.16 -0.37 2.37 4.15 -0.59 0.94 115.11 122.60 3gkf h GLN 158 Ca 0.11 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.39 3gkf h GLN 158 Cb 0.34 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3gkf h GLN 158 CO -0.28 0.77 -0.09 -0.07 -1.93 0.00 0.00 178.83 177.23 3gkf h LEU 159 N 1.20 0.61 -0.37 -2.39 3.38 -0.63 -2.03 115.31 115.08 3gkf h LEU 159 Ca 0.34 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 3gkf h LEU 159 Cb -0.10 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3gkf h LEU 159 CO -0.08 0.74 -0.46 0.58 0.09 0.00 0.00 178.44 179.30 3gkf h VAL 160 N 0.58 1.27 -0.91 1.22 2.07 -0.09 0.15 116.25 120.55 3gkf h VAL 160 Ca 0.11 -1.64 0.06 0.00 0.82 0.00 0.00 66.70 66.04 3gkf h VAL 160 Cb 0.50 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 3gkf h VAL 160 CO 0.03 0.54 0.58 0.44 0.02 0.00 0.00 177.57 179.18 3gkf h ASP 161 N 0.71 0.93 0.37 0.57 3.32 -0.57 -1.29 116.42 120.46 3gkf h ASP 161 Ca 0.04 0.01 -0.28 0.00 0.02 0.00 0.00 57.03 56.81 3gkf h ASP 161 Cb 1.06 -0.19 0.02 0.00 0.22 0.00 0.00 39.33 40.44 3gkf h ASP 161 CO 0.11 0.60 -1.23 0.00 -1.72 0.00 0.00 179.24 177.00 3gkf h ALA 162 N 1.41 0.07 -0.09 3.45 0.00 -1.14 -3.25 119.26 119.72 3gkf h ALA 162 Ca 0.39 -0.82 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 3gkf h ALA 162 Cb 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3gkf h ALA 162 CO -0.16 0.82 -0.47 0.78 0.00 0.00 0.00 179.25 180.22 3gkf h GLY 163 N 0.92 0.23 1.85 0.00 0.00 -0.33 -2.50 103.07 103.24 3gkf h GLY 163 Ca -0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 3gkf h GLY 163 CO 0.22 0.21 -0.34 -0.33 0.00 0.00 0.00 176.54 176.30 3gkf h MET 164 N 0.17 0.17 0.00 4.80 2.07 -1.30 0.46 114.93 121.31 3gkf h MET 164 Ca 0.01 -0.07 -0.02 0.00 -2.07 0.00 0.00 59.70 57.56 3gkf h MET 164 Cb 0.90 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.62 3gkf h MET 164 CO 0.07 0.50 -0.08 0.87 1.07 0.00 0.00 176.91 179.34 3gkf h LYS 165 N 0.15 0.00 0.00 1.72 1.57 -1.48 -3.33 116.57 115.20 3gkf h LYS 165 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3gkf h LYS 165 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3gkf h LYS 165 CO 0.05 0.08 0.00 1.55 -0.57 0.00 0.00 179.45 180.56 3gkf n VAL 166 N -3.54 0.00 -0.58 0.50 3.14 -0.40 -5.01 118.33 112.43 3gkf n VAL 166 Ca -0.02 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 3gkf n VAL 166 Cb 0.21 1.18 0.00 0.00 -1.06 0.00 0.00 33.84 34.17 3gkf n VAL 166 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gkf n GLY 167 N 0.33 0.64 3.57 7.55 0.00 0.14 -4.96 105.19 112.46 3gkf n GLY 167 Ca 0.00 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 3gkf n GLY 167 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gkf s MET 168 N -1.13 3.79 0.56 1.61 0.00 -0.19 -3.90 119.30 120.04 3gkf s MET 168 Ca 0.00 -0.35 -0.19 0.00 0.00 0.00 0.00 55.69 55.15 3gkf s MET 168 Cb 0.00 -3.72 -0.05 0.00 0.00 0.00 0.00 34.83 31.06 3gkf s MET 168 CO 0.00 -0.32 1.13 -2.14 0.00 0.00 0.00 175.02 173.70 3gkf s PRO 169 N 1.84 3.25 -0.09 4.11 0.02 -1.26 -4.37 135.00 138.51 3gkf s PRO 169 Ca 0.09 1.61 0.03 0.00 0.02 0.00 0.00 61.00 62.75 3gkf s PRO 169 Cb -0.16 -1.99 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 3gkf s PRO 169 CO 0.11 -0.93 -0.19 0.99 -0.33 0.00 0.00 177.00 176.64 3gkf s THR 170 N -1.82 2.52 -0.22 0.99 2.01 -1.26 -1.83 115.64 116.02 3gkf s THR 170 Ca 0.72 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.79 3gkf s THR 170 Cb -0.24 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 3gkf s THR 170 CO 0.29 0.56 0.03 -0.32 -0.69 0.00 0.00 174.62 174.49 3gkf s MET 171 N 0.00 3.63 -0.23 4.92 1.75 0.62 -1.04 119.30 128.95 3gkf s MET 171 Ca -0.07 -0.50 -0.11 0.00 -1.25 0.00 0.00 55.69 53.76 3gkf s MET 171 Cb -0.15 -3.19 -0.05 0.00 2.84 0.00 0.00 34.83 34.28 3gkf s MET 171 CO 0.05 -0.09 0.17 0.00 -0.65 0.00 0.00 175.02 174.50 3gkf s ALA 172 N 1.29 3.63 -0.14 4.11 0.00 -0.21 -1.13 121.76 129.30 3gkf s ALA 172 Ca 0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 3gkf s ALA 172 Cb -0.15 -2.31 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 3gkf s ALA 172 CO 0.02 -0.11 -0.02 0.08 0.00 0.00 0.00 175.76 175.73 3gkf s VAL 173 N 0.89 4.03 -0.53 0.00 1.01 0.17 -0.87 120.40 125.11 3gkf s VAL 173 Ca 0.09 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 3gkf s VAL 173 Cb -0.13 -2.75 0.05 0.00 0.00 0.00 0.00 36.38 33.55 3gkf s VAL 173 CO 0.03 0.52 0.81 0.42 0.00 0.00 0.00 175.10 176.88 3gkf s THR 174 N 0.08 4.59 0.15 3.92 -4.23 -0.81 0.56 115.64 119.89 3gkf s THR 174 Ca 0.00 -0.05 -0.07 0.00 -1.18 0.00 0.00 61.69 60.40 3gkf s THR 174 Cb -0.13 -4.44 -0.06 0.00 1.34 0.00 0.00 72.50 69.21 3gkf s THR 174 CO 0.02 -0.99 0.41 -0.83 -0.54 0.00 0.00 174.62 172.70 3gkf s GLY 175 N 2.78 2.26 0.00 3.99 0.00 0.20 -4.84 107.32 111.72 3gkf s GLY 175 Ca 0.24 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.49 3gkf s GLY 175 CO 0.16 -0.36 0.00 -0.62 0.00 0.00 0.00 173.10 172.28 3gkf n VAL 176 N 0.18 0.00 -2.31 1.40 0.31 -1.26 -4.43 118.33 112.22 3gkf n VAL 176 Ca -0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.27 3gkf n VAL 176 Cb 0.52 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.48 3gkf n VAL 176 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3gkf n ARG 182 N 0.00 0.60 -4.38 5.55 0.63 -1.26 -5.07 116.66 112.74 3gkf n ARG 182 Ca 0.00 -0.88 -0.30 0.00 -0.92 0.00 0.00 57.85 55.75 3gkf n ARG 182 Cb 0.00 0.41 -0.04 0.00 0.45 0.00 0.00 32.46 33.27 3gkf n ARG 182 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3gkf s ASP 183 N -0.84 4.36 0.12 6.15 -4.77 -1.26 -4.97 116.67 115.45 3gkf s ASP 183 Ca 0.04 -1.49 -0.23 0.00 -3.30 0.00 0.00 52.55 47.57 3gkf s ASP 183 Cb 0.20 0.51 -0.06 0.00 -1.09 0.00 0.00 42.92 42.47 3gkf s ASP 183 CO -0.06 -0.98 1.68 -0.61 0.70 0.00 0.00 175.17 175.91 3gkf h GLN 184 N 1.07 -0.19 -0.99 2.11 -0.00 -1.92 -2.03 115.11 113.16 3gkf h GLN 184 Ca -0.41 0.01 0.16 0.00 -0.00 0.00 0.00 58.65 58.42 3gkf h GLN 184 Cb 1.31 0.04 -0.09 0.00 0.00 0.00 0.00 27.48 28.74 3gkf h GLN 184 CO 0.67 -0.13 0.62 0.07 0.00 0.00 0.00 178.83 180.05 3gkf h ARG 185 N -0.20 0.80 0.40 1.69 0.11 -1.94 0.21 114.38 115.45 3gkf h ARG 185 Ca 0.06 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 60.07 3gkf h ARG 185 Cb 0.28 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.18 3gkf h ARG 185 CO -0.15 0.53 -0.19 -0.92 0.10 0.00 0.00 179.97 179.33 3gkf h TYR 186 N 0.82 -0.50 0.00 4.08 3.20 -1.79 -2.46 116.97 120.32 3gkf h TYR 186 Ca 0.54 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.36 3gkf h TYR 186 Cb 0.76 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 3gkf h TYR 186 CO -0.00 -0.23 -0.17 0.74 -1.64 0.00 0.00 178.16 176.85 3gkf h PHE 187 N -0.69 0.00 0.16 -3.82 0.04 -0.68 -1.29 116.94 110.66 3gkf h PHE 187 Ca -0.06 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 3gkf h PHE 187 Cb 0.49 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 3gkf h PHE 187 CO -0.01 0.17 -0.11 0.77 -0.60 0.00 0.00 178.31 178.53 3gkf h SER 188 N 0.00 -0.28 -0.03 2.17 0.02 -0.56 0.28 113.55 115.14 3gkf h SER 188 Ca -0.00 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3gkf h SER 188 Cb 0.33 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 3gkf h SER 188 CO 0.02 -0.18 -0.21 0.25 -1.14 0.00 0.00 176.83 175.57 3gkf h LEU 189 N -0.27 -0.63 -0.04 5.07 5.85 -0.85 -0.78 115.31 123.67 3gkf h LEU 189 Ca -0.01 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3gkf h LEU 189 Cb 0.24 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 3gkf h LEU 189 CO -0.00 -0.27 0.01 0.00 -0.34 0.00 0.00 178.44 177.84 3gkf h ALA 190 N 0.58 0.05 -0.62 1.25 0.00 -1.10 -1.58 119.26 117.84 3gkf h ALA 190 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gkf h ALA 190 Cb 0.41 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3gkf h ALA 190 CO -0.21 -0.37 0.38 1.79 0.00 0.00 0.00 179.25 180.84 3gkf h THR 191 N -0.10 1.18 -0.24 0.00 1.35 -0.36 -2.46 112.91 112.29 3gkf h THR 191 Ca 0.01 -0.40 -0.12 0.00 -0.55 0.00 0.00 66.41 65.35 3gkf h THR 191 Cb 0.16 0.32 -0.00 0.00 -1.73 0.00 0.00 68.15 66.90 3gkf h THR 191 CO -0.00 0.19 -0.33 -0.09 -0.25 0.00 0.00 175.52 175.03 3gkf h ARG 192 N 0.85 0.64 -0.38 4.72 9.65 -0.97 -0.44 114.38 128.45 3gkf h ARG 192 Ca 0.22 -0.37 0.05 0.00 -1.10 0.00 0.00 59.98 58.78 3gkf h ARG 192 Cb -0.03 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.54 3gkf h ARG 192 CO -0.04 0.98 0.11 0.82 2.80 0.00 0.00 179.97 184.64 3gkf h ILE 193 N 0.35 0.85 -0.44 1.20 2.04 -1.28 0.67 117.51 120.91 3gkf h ILE 193 Ca 0.03 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3gkf h ILE 193 Cb 0.91 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3gkf h ILE 193 CO 0.08 0.05 0.27 0.00 0.00 0.00 0.00 178.15 178.54 3gkf h ALA 194 N 1.26 0.56 -0.69 1.87 0.00 -1.06 0.89 119.26 122.09 3gkf h ALA 194 Ca 0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3gkf h ALA 194 Cb 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3gkf h ALA 194 CO -0.20 0.05 0.21 0.00 0.00 0.00 0.00 179.25 179.31 3gkf h ALA 195 N 1.13 0.91 -0.51 0.00 0.00 -0.82 -2.54 119.26 117.43 3gkf h ALA 195 Ca 0.16 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3gkf h ALA 195 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3gkf h ALA 195 CO -0.03 0.59 -0.02 1.49 0.00 0.00 0.00 179.25 181.28 3gkf h GLU 196 N 1.02 0.91 -0.69 0.00 4.57 -0.42 -1.02 114.58 118.95 3gkf h GLU 196 Ca 0.22 -0.30 0.11 0.00 -1.18 0.00 0.00 59.36 58.21 3gkf h GLU 196 Cb 0.30 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 3gkf h GLU 196 CO -0.01 0.95 0.46 0.52 -1.18 0.00 0.00 179.01 179.75 3gkf h MET 197 N 0.78 0.50 0.00 1.92 2.86 -0.50 -3.46 114.93 117.03 3gkf h MET 197 Ca 0.14 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3gkf h MET 197 Cb 0.55 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3gkf h MET 197 CO 0.03 0.33 0.00 0.41 1.06 0.00 0.00 176.91 178.74 3gkf n GLY 198 N -1.50 -0.76 3.73 8.32 0.00 -0.39 -4.94 105.19 109.66 3gkf n GLY 198 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3gkf n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf s ALA 199 N 0.00 3.79 -0.07 4.61 0.00 -1.00 -4.86 121.76 124.23 3gkf s ALA 199 Ca 0.00 1.48 0.13 0.00 0.00 0.00 0.00 51.96 53.57 3gkf s ALA 199 Cb 0.00 -3.64 -0.08 0.00 0.00 0.00 0.00 23.12 19.40 3gkf s ALA 199 CO 0.00 -0.87 1.19 1.96 0.00 0.00 0.00 175.76 178.04 3gkf h GLN 200 N 5.98 0.00 -5.52 0.00 7.50 -1.42 -3.42 115.11 118.24 3gkf h GLN 200 Ca -0.44 0.00 -0.61 0.00 0.50 0.00 0.00 58.65 58.09 3gkf h GLN 200 Cb 1.21 0.00 -0.32 0.00 0.05 0.00 0.00 27.48 28.42 3gkf h GLN 200 CO 0.87 0.58 -0.86 0.42 -1.50 0.00 0.00 178.83 178.35 3gkf s ILE 201 N -2.85 1.68 -0.12 2.54 1.01 -0.83 -3.76 121.20 118.87 3gkf s ILE 201 Ca 0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 3gkf s ILE 201 Cb 0.08 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 3gkf s ILE 201 CO 0.79 0.48 -0.06 -0.63 0.00 0.00 0.00 174.94 175.51 3gkf s ILE 202 N 0.02 3.71 -0.12 2.92 -1.09 -0.33 -1.05 121.20 125.26 3gkf s ILE 202 Ca -0.05 -0.44 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 3gkf s ILE 202 Cb -0.13 -2.58 -0.01 0.00 -1.58 0.00 0.00 42.46 38.16 3gkf s ILE 202 CO 0.03 0.53 -0.17 -0.75 -1.23 0.00 0.00 174.94 173.35 3gkf s LYS 203 N -0.00 3.24 0.24 2.79 2.20 -0.04 -0.75 119.74 127.41 3gkf s LYS 203 Ca -0.00 -0.76 -0.06 0.00 -0.36 0.00 0.00 55.97 54.79 3gkf s LYS 203 Cb -0.13 -2.50 0.02 0.00 -1.51 0.00 0.00 37.83 33.71 3gkf s LYS 203 CO 0.03 0.21 0.41 -2.37 -0.36 0.00 0.00 175.35 173.27 3gkf n THR 204 N 3.49 0.00 -3.94 3.43 5.66 0.88 -1.93 114.28 121.87 3gkf n THR 204 Ca -0.18 -0.86 -0.26 0.00 -3.05 0.00 0.00 64.05 59.69 3gkf n THR 204 Cb 0.53 0.66 -0.03 0.00 -1.55 0.00 0.00 70.33 69.94 3gkf n THR 204 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3gkf s TYR 205 N -4.23 3.49 0.42 1.09 2.02 -1.26 0.30 117.35 119.17 3gkf s TYR 205 Ca 0.14 0.12 -0.19 0.00 -0.37 0.00 0.00 57.07 56.77 3gkf s TYR 205 Cb -0.02 -1.67 -0.10 0.00 -0.40 0.00 0.00 41.96 39.77 3gkf s TYR 205 CO 0.10 0.51 0.92 -0.47 -1.57 0.00 0.00 175.55 175.04 3gkf s TYR 206 N -1.75 3.34 -0.05 2.71 5.04 -1.26 -4.92 117.35 120.46 3gkf s TYR 206 Ca 0.35 1.53 0.01 0.00 -2.44 0.00 0.00 57.07 56.52 3gkf s TYR 206 Cb -0.11 -2.79 0.02 0.00 0.35 0.00 0.00 41.96 39.43 3gkf s TYR 206 CO 0.29 -0.11 -0.07 0.08 -1.34 0.00 0.00 175.55 174.40 3gkf s VAL 207 N -2.21 0.69 0.38 3.14 1.01 -1.26 -5.04 120.40 117.12 3gkf s VAL 207 Ca 0.60 -0.22 0.10 0.00 0.00 0.00 0.00 61.98 62.46 3gkf s VAL 207 Cb -0.09 -0.68 0.14 0.00 0.00 0.00 0.00 36.38 35.75 3gkf s VAL 207 CO 0.16 0.25 1.89 -0.33 0.00 0.00 0.00 175.10 177.07 3gkf h GLU 208 N 7.06 0.17 -5.04 2.72 5.08 -1.97 -3.33 114.58 119.26 3gkf h GLU 208 Ca -0.36 -0.05 -0.67 0.00 -1.00 0.00 0.00 59.36 57.28 3gkf h GLU 208 Cb 1.16 -0.02 -0.35 0.00 0.50 0.00 0.00 28.75 30.04 3gkf h GLU 208 CO 0.48 0.38 -0.86 0.21 -1.00 0.00 0.00 179.01 178.22 3gkf s LYS 209 N -4.57 2.95 0.00 2.33 2.20 -1.26 -4.79 119.74 116.61 3gkf s LYS 209 Ca -0.05 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.73 3gkf s LYS 209 Cb 0.15 -2.56 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 3gkf s LYS 209 CO 0.73 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.91 3gkf n GLY 210 N 4.62 0.74 0.30 5.54 0.00 -1.26 -4.41 105.19 110.72 3gkf n GLY 210 Ca -0.21 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.59 3gkf n GLY 210 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gkf h PHE 211 N 0.00 0.17 -0.88 1.61 3.57 -1.87 -1.86 116.94 117.67 3gkf h PHE 211 Ca 0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 3gkf h PHE 211 Cb 0.00 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.62 3gkf h PHE 211 CO 0.00 0.10 0.54 0.93 -2.23 0.00 0.00 178.31 177.64 3gkf h GLU 212 N 0.17 0.91 -0.59 1.11 5.08 -1.91 -1.25 114.58 118.10 3gkf h GLU 212 Ca 0.10 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3gkf h GLU 212 Cb 0.18 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3gkf h GLU 212 CO -0.02 0.60 0.14 0.00 -1.00 0.00 0.00 179.01 178.73 3gkf h ARG 213 N 0.94 0.93 0.10 2.33 3.08 -1.72 0.19 114.38 120.23 3gkf h ARG 213 Ca 0.40 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 3gkf h ARG 213 Cb 0.26 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3gkf h ARG 213 CO -0.20 0.84 -0.05 0.82 -1.07 0.00 0.00 179.97 180.30 3gkf h ILE 214 N 0.89 0.99 0.13 2.04 2.04 -1.19 0.12 117.51 122.53 3gkf h ILE 214 Ca 0.19 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3gkf h ILE 214 Cb 0.33 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3gkf h ILE 214 CO 0.00 0.08 -0.06 0.58 0.00 0.00 0.00 178.15 178.75 3gkf h VAL 215 N -0.29 0.88 -0.61 1.67 2.07 -1.12 -2.38 116.25 116.47 3gkf h VAL 215 Ca -0.01 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3gkf h VAL 215 Cb 0.24 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3gkf h VAL 215 CO 0.02 0.01 0.41 0.00 0.02 0.00 0.00 177.57 178.02 3gkf h ALA 216 N 0.70 1.56 0.00 1.67 0.00 -0.47 -1.05 119.26 121.67 3gkf h ALA 216 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gkf h ALA 216 Cb 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3gkf h ALA 216 CO 0.03 0.41 0.00 0.78 0.00 0.00 0.00 179.25 180.46 3gkf h GLY 217 N 0.83 0.00 -5.94 0.00 0.00 -0.61 -3.44 103.07 93.91 3gkf h GLY 217 Ca 0.22 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.96 3gkf h GLY 217 CO -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 176.54 176.30 3gkf n PRO 219 N 4.00 1.60 -4.20 0.00 -0.04 -1.26 -4.88 135.00 130.22 3gkf n PRO 219 Ca -0.08 -0.90 -0.12 0.00 -0.04 0.00 0.00 63.50 62.36 3gkf n PRO 219 Cb 0.51 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 3gkf n PRO 219 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3gkf s VAL 220 N -1.87 0.32 0.37 0.52 -7.23 -1.26 -3.58 120.40 107.67 3gkf s VAL 220 Ca 0.34 -1.95 -0.26 0.00 -1.81 0.00 0.00 61.98 58.29 3gkf s VAL 220 Cb 0.18 -2.16 -0.12 0.00 0.56 0.00 0.00 36.38 34.84 3gkf s VAL 220 CO 0.28 -0.39 1.16 -2.65 -0.31 0.00 0.00 175.10 173.19 3gkf n PRO 221 N -0.19 1.74 -5.06 4.82 -0.02 -1.24 -4.74 135.00 130.31 3gkf n PRO 221 Ca -0.05 0.62 -0.32 0.00 -2.02 0.00 0.00 63.50 61.73 3gkf n PRO 221 Cb 0.64 -2.18 -0.15 0.00 -0.02 0.00 0.00 33.50 31.79 3gkf n PRO 221 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gkf s ILE 222 N -1.16 2.62 0.03 4.25 1.01 -1.26 -1.19 121.20 125.50 3gkf s ILE 222 Ca 0.59 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 60.43 3gkf s ILE 222 Cb -0.57 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 3gkf s ILE 222 CO 0.59 0.58 -0.20 -0.69 0.00 0.00 0.00 174.94 175.22 3gkf s VAL 223 N -0.51 1.60 -0.07 2.92 1.01 0.07 0.24 120.40 125.66 3gkf s VAL 223 Ca 0.07 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.94 3gkf s VAL 223 Cb -0.11 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3gkf s VAL 223 CO 0.01 0.24 -0.04 0.27 0.00 0.00 0.00 175.10 175.58 3gkf s ILE 224 N -0.73 3.93 0.29 2.22 -4.36 -1.00 -0.09 121.20 121.47 3gkf s ILE 224 Ca 0.07 -0.41 -0.14 0.00 -0.26 0.00 0.00 60.65 59.91 3gkf s ILE 224 Cb -0.08 -2.63 -0.08 0.00 1.25 0.00 0.00 42.46 40.91 3gkf s ILE 224 CO 0.01 0.58 0.68 0.00 0.24 0.00 0.00 174.94 176.46 3gkf s ALA 225 N -0.86 3.39 0.11 2.27 0.00 0.15 0.11 121.76 126.94 3gkf s ALA 225 Ca 0.13 -0.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.95 3gkf s ALA 225 Cb -0.11 -2.68 -0.12 0.00 0.00 0.00 0.00 23.12 20.21 3gkf s ALA 225 CO 0.02 0.38 1.32 0.78 0.00 0.00 0.00 175.76 178.27 3gkf h GLY 226 N 2.40 0.79 0.00 0.00 0.00 -0.63 -3.40 103.07 102.23 3gkf h GLY 226 Ca -0.48 -1.14 0.00 0.00 0.00 0.00 0.00 47.33 45.71 3gkf h GLY 226 CO 0.66 1.02 0.00 0.61 0.00 0.00 0.00 176.54 178.83 3gkf n GLY 227 N 0.71 -1.54 3.72 4.60 0.00 -1.26 -4.91 105.19 106.50 3gkf n GLY 227 Ca -0.07 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 3gkf n GLY 227 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gkf s LYS 228 N 0.00 2.16 0.34 1.61 -2.85 -1.26 -4.48 119.74 115.25 3gkf s LYS 228 Ca 0.00 1.96 -0.29 0.00 -1.00 0.00 0.00 55.97 56.64 3gkf s LYS 228 Cb 0.00 -1.81 -0.12 0.00 -2.06 0.00 0.00 37.83 33.84 3gkf s LYS 228 CO 0.00 -1.87 1.50 1.17 0.10 0.00 0.00 175.35 176.26 3gkf n LYS 229 N -2.48 2.60 -4.41 1.78 3.00 -1.26 -4.83 118.16 112.57 3gkf n LYS 229 Ca 0.15 0.92 -0.20 0.00 -0.00 0.00 0.00 58.31 59.17 3gkf n LYS 229 Cb 0.49 -2.65 -0.10 0.00 0.00 0.00 0.00 35.03 32.77 3gkf n LYS 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3gkf s LEU 230 N -1.27 2.43 0.32 3.14 1.43 -1.26 -5.04 118.68 118.43 3gkf s LEU 230 Ca 0.58 -1.19 -0.29 0.00 -1.03 0.00 0.00 54.13 52.20 3gkf s LEU 230 Cb -0.50 -0.57 -0.12 0.00 0.03 0.00 0.00 46.19 45.03 3gkf s LEU 230 CO 0.57 -0.37 1.49 -0.81 0.23 0.00 0.00 176.35 177.46 3gkf n PRO 231 N -0.55 2.53 -0.19 1.29 -0.04 -1.26 -4.78 135.00 132.00 3gkf n PRO 231 Ca -0.05 0.89 -0.00 0.00 -0.04 0.00 0.00 63.50 64.29 3gkf n PRO 231 Cb 0.63 -2.61 0.08 0.00 -0.04 0.00 0.00 33.50 31.56 3gkf n PRO 231 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gkf h GLU 232 N 3.79 0.10 -0.91 0.54 3.07 -1.99 0.24 114.58 119.41 3gkf h GLU 232 Ca -0.48 -0.01 0.22 0.00 -0.50 0.00 0.00 59.36 58.60 3gkf h GLU 232 Cb 1.25 -0.02 -0.12 0.00 -0.84 0.00 0.00 28.75 29.01 3gkf h GLU 232 CO 0.71 0.06 0.43 -0.09 -1.40 0.00 0.00 179.01 178.73 3gkf h ARG 233 N 0.10 0.42 -0.05 2.33 1.12 -1.98 0.11 114.38 116.44 3gkf h ARG 233 Ca 0.29 -0.03 -0.22 0.00 -1.11 0.00 0.00 59.98 58.92 3gkf h ARG 233 Cb 0.46 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.33 3gkf h ARG 233 CO -0.50 0.28 -0.86 0.93 -3.11 0.00 0.00 179.97 176.71 3gkf h GLU 234 N 0.44 0.52 -0.05 0.20 5.08 -0.91 -2.22 114.58 117.63 3gkf h GLU 234 Ca 0.57 -0.49 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3gkf h GLU 234 Cb 1.08 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 3gkf h GLU 234 CO -0.52 1.12 0.02 0.00 -1.00 0.00 0.00 179.01 178.64 3gkf h ALA 235 N 0.72 0.07 -0.64 3.43 0.00 -0.45 -1.37 119.26 121.02 3gkf h ALA 235 Ca -0.07 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.84 3gkf h ALA 235 Cb 1.48 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 3gkf h ALA 235 CO 0.16 -0.34 0.25 -0.07 0.00 0.00 0.00 179.25 179.25 3gkf h LEU 236 N -0.09 0.26 -0.73 0.00 3.38 -0.85 0.28 115.31 117.55 3gkf h LEU 236 Ca 0.02 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3gkf h LEU 236 Cb 0.19 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3gkf h LEU 236 CO -0.00 0.15 0.47 -0.08 0.09 0.00 0.00 178.44 179.07 3gkf h GLU 237 N 0.43 0.92 -0.15 1.13 4.22 -1.08 0.58 114.58 120.63 3gkf h GLU 237 Ca 0.32 -0.06 0.02 0.00 0.08 0.00 0.00 59.36 59.73 3gkf h GLU 237 Cb 0.40 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3gkf h GLU 237 CO -0.31 0.61 0.03 1.98 -2.18 0.00 0.00 179.01 179.14 3gkf h MET 238 N 0.94 0.09 -0.05 1.92 4.05 -0.10 0.11 114.93 121.90 3gkf h MET 238 Ca 0.28 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.74 3gkf h MET 238 Cb -0.04 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.69 3gkf h MET 238 CO -0.09 0.06 -0.30 0.00 0.23 0.00 0.00 176.91 176.82 3gkf h TRP 240 N -0.42 0.79 -0.26 0.00 7.01 0.69 -1.24 115.95 122.54 3gkf h TRP 240 Ca 0.08 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 3gkf h TRP 240 Cb 0.53 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.34 3gkf h TRP 240 CO -0.35 0.35 0.06 1.96 -2.79 0.00 0.00 178.44 177.67 3gkf h GLN 241 N 0.76 0.41 -0.00 2.65 1.08 -0.31 0.68 115.11 120.38 3gkf h GLN 241 Ca 0.36 -0.10 0.02 0.00 -1.45 0.00 0.00 58.65 57.49 3gkf h GLN 241 Cb 0.28 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 3gkf h GLN 241 CO -0.22 0.50 -0.14 0.00 -0.95 0.00 0.00 178.83 178.02 3gkf h ALA 242 N 0.89 -0.17 -0.04 3.87 0.00 0.05 0.65 119.26 124.51 3gkf h ALA 242 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gkf h ALA 242 Cb 0.28 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gkf h ALA 242 CO 0.00 -0.64 0.02 0.82 0.00 0.00 0.00 179.25 179.46 3gkf h ILE 243 N -0.24 1.03 -0.68 0.00 1.08 -1.21 -1.32 117.51 116.16 3gkf h ILE 243 Ca 0.05 -0.08 0.17 0.00 -0.39 0.00 0.00 64.86 64.61 3gkf h ILE 243 Cb 0.30 1.02 -0.04 0.00 -3.07 0.00 0.00 36.82 35.04 3gkf h ILE 243 CO -0.14 0.03 0.48 -0.78 -0.69 0.00 0.00 178.15 177.04 3gkf h ASP 244 N 0.02 0.17 -0.56 1.72 3.58 -0.48 0.18 116.42 121.05 3gkf h ASP 244 Ca 0.01 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.47 3gkf h ASP 244 Cb 0.02 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3gkf h ASP 244 CO -0.00 0.08 0.00 0.00 -2.88 0.00 0.00 179.24 176.44 3gkf n GLN 245 N -4.41 3.43 0.00 0.28 6.02 0.19 -4.92 117.38 117.97 3gkf n GLN 245 Ca 0.13 -2.48 0.00 0.00 -0.01 0.00 0.00 57.00 54.64 3gkf n GLN 245 Cb 0.63 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 30.05 3gkf n GLN 245 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gkf n GLY 246 N 0.99 0.92 3.75 1.08 0.00 0.62 -4.61 105.19 107.95 3gkf n GLY 246 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3gkf n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf s ALA 247 N -2.00 2.42 -1.83 4.61 0.00 -0.58 -4.84 121.76 119.54 3gkf s ALA 247 Ca 0.00 0.78 0.20 0.00 0.00 0.00 0.00 51.96 52.93 3gkf s ALA 247 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3gkf s ALA 247 CO 0.00 -1.34 0.99 0.43 0.00 0.00 0.00 175.76 175.84 3gkf n SER 248 N -2.15 1.90 -3.63 0.00 7.64 0.14 -4.62 113.62 112.89 3gkf n SER 248 Ca 0.12 -1.45 -0.01 0.00 1.01 0.00 0.00 58.87 58.54 3gkf n SER 248 Cb 0.51 0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 64.15 3gkf n SER 248 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gkf s GLY 249 N -2.19 -0.36 0.01 0.23 0.00 -1.14 -0.87 107.32 103.01 3gkf s GLY 249 Ca 0.17 0.76 0.03 0.00 0.00 0.00 0.00 44.72 45.67 3gkf s GLY 249 CO 0.48 0.18 -0.09 -1.34 0.00 0.00 0.00 173.10 172.33 3gkf s VAL 250 N -2.62 0.66 -0.27 1.40 -7.23 -1.01 -2.37 120.40 108.97 3gkf s VAL 250 Ca 0.13 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 3gkf s VAL 250 Cb 0.02 -0.60 0.05 0.00 0.56 0.00 0.00 36.38 36.42 3gkf s VAL 250 CO -0.03 0.04 -0.06 -0.62 -0.31 0.00 0.00 175.10 174.12 3gkf s ASP 251 N -0.59 4.59 -0.47 4.85 2.15 0.31 -1.89 116.67 125.63 3gkf s ASP 251 Ca 0.00 -1.26 -0.17 0.00 0.43 0.00 0.00 52.55 51.56 3gkf s ASP 251 Cb -0.05 -1.63 0.06 0.00 -0.30 0.00 0.00 42.92 40.99 3gkf s ASP 251 CO 0.00 -0.21 0.44 -0.04 -0.17 0.00 0.00 175.17 175.20 3gkf s MET 252 N 1.20 3.03 0.00 4.34 -1.94 -1.25 0.15 119.30 124.82 3gkf s MET 252 Ca -0.06 -1.12 0.00 0.00 -1.71 0.00 0.00 55.69 52.80 3gkf s MET 252 Cb -0.19 -4.08 0.00 0.00 2.01 0.00 0.00 34.83 32.56 3gkf s MET 252 CO -0.03 -1.02 0.00 0.41 -0.01 0.00 0.00 175.02 174.37 3gkf n GLY 253 N 5.18 1.46 0.33 -0.03 0.00 -1.26 -4.05 105.19 106.82 3gkf n GLY 253 Ca -0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.02 3gkf n GLY 253 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gkf h ARG 254 N 0.00 0.67 0.00 1.61 -0.00 -1.89 0.46 114.38 115.23 3gkf h ARG 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 3gkf h ARG 254 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 29.97 29.82 3gkf h ARG 254 CO 0.00 0.44 0.00 0.09 0.00 0.00 0.00 179.97 180.50 3gkf n ASN 255 N -4.83 0.00 0.00 7.04 3.02 -1.26 -1.08 115.26 118.16 3gkf n ASN 255 Ca 0.20 0.34 -0.01 0.00 -0.03 0.00 0.00 54.58 55.09 3gkf n ASN 255 Cb 0.50 -0.37 -0.00 0.00 -0.61 0.00 0.00 39.78 39.30 3gkf n ASN 255 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3gkf n ILE 256 N -1.37 0.49 0.32 2.41 5.41 0.15 -4.34 119.36 122.44 3gkf n ILE 256 Ca 0.01 0.21 0.19 0.00 1.00 0.00 0.00 62.75 64.16 3gkf n ILE 256 Cb 0.02 -1.38 1.07 0.00 -0.71 0.00 0.00 39.64 38.64 3gkf n ILE 256 CO 0.00 0.00 0.00 2.19 0.00 0.00 0.00 176.55 178.74 3gkf h PHE 257 N -0.10 0.00 0.00 1.39 -5.15 -1.34 -1.01 116.94 110.73 3gkf h PHE 257 Ca 0.00 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.67 3gkf h PHE 257 Cb 0.10 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.25 3gkf h PHE 257 CO -0.04 0.00 -1.11 1.96 -2.00 0.00 0.00 178.31 177.12 3gkf h GLN 258 N 0.00 0.00 -6.96 6.09 4.20 -1.32 -3.47 115.11 113.65 3gkf h GLN 258 Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 3gkf h GLN 258 Cb 0.02 0.00 0.15 0.00 0.30 0.00 0.00 27.48 27.95 3gkf h GLN 258 CO 0.00 0.20 0.38 0.45 -0.67 0.00 0.00 178.83 179.19 3gkf n SER 259 N -2.87 1.72 0.26 1.46 2.88 -0.38 -4.87 113.62 111.82 3gkf n SER 259 Ca -0.05 0.87 0.13 0.00 -1.33 0.00 0.00 58.87 58.50 3gkf n SER 259 Cb 0.72 -1.49 0.67 0.00 -0.75 0.00 0.00 64.21 63.36 3gkf n SER 259 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3gkf h ASP 260 N 0.81 0.00 -2.13 -3.46 3.32 -1.91 -3.32 116.42 109.73 3gkf h ASP 260 Ca -0.50 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 55.97 3gkf h ASP 260 Cb 1.34 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.48 3gkf h ASP 260 CO 0.53 0.13 -0.77 1.41 -1.72 0.00 0.00 179.24 178.82 3gkf n HIS 261 N -3.42 2.36 0.17 4.55 8.25 -1.26 -4.99 115.22 120.89 3gkf n HIS 261 Ca -0.01 -3.96 -0.15 0.00 -0.26 0.00 0.00 57.72 53.35 3gkf n HIS 261 Cb 0.30 -0.49 -0.07 0.00 1.12 0.00 0.00 29.99 30.85 3gkf n HIS 261 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3gkf h PRO 262 N 4.04 -0.63 -0.90 -0.41 0.11 -1.78 -1.87 132.00 130.55 3gkf h PRO 262 Ca 0.15 0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.37 3gkf h PRO 262 Cb 0.73 0.14 -0.06 0.00 0.11 0.00 0.00 31.00 31.92 3gkf h PRO 262 CO 0.71 -0.42 0.56 0.28 -0.21 0.00 0.00 178.00 178.92 3gkf h VAL 263 N -0.66 1.04 -0.52 3.15 2.07 -1.94 0.14 116.25 119.53 3gkf h VAL 263 Ca 0.00 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3gkf h VAL 263 Cb 0.63 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3gkf h VAL 263 CO -0.13 0.18 0.30 0.00 0.02 0.00 0.00 177.57 177.95 3gkf h ALA 264 N 1.43 0.67 -0.32 1.67 0.00 -1.77 -2.33 119.26 118.62 3gkf h ALA 264 Ca 0.40 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.34 3gkf h ALA 264 Cb 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3gkf h ALA 264 CO -0.18 -0.01 0.11 1.98 0.00 0.00 0.00 179.25 181.15 3gkf h MET 265 N 0.59 0.24 -0.61 0.00 -1.53 0.05 -1.88 114.93 111.80 3gkf h MET 265 Ca 0.22 -0.01 0.05 0.00 -3.44 0.00 0.00 59.70 56.51 3gkf h MET 265 Cb 0.06 -0.05 -0.05 0.00 -0.55 0.00 0.00 31.60 31.00 3gkf h MET 265 CO -0.11 0.16 0.34 0.52 0.14 0.00 0.00 176.91 177.96 3gkf h MET 266 N 0.25 0.64 -0.26 0.39 2.86 -0.82 0.21 114.93 118.19 3gkf h MET 266 Ca 0.14 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3gkf h MET 266 Cb 0.11 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3gkf h MET 266 CO -0.15 0.42 0.01 0.87 1.06 0.00 0.00 176.91 179.13 3gkf h LYS 267 N 0.65 0.38 0.35 1.72 1.57 -1.12 0.67 116.57 120.79 3gkf h LYS 267 Ca 0.27 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3gkf h LYS 267 Cb 0.13 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3gkf h LYS 267 CO -0.16 0.40 -0.17 0.00 -0.57 0.00 0.00 179.45 178.95 3gkf h ALA 268 N 1.65 -0.47 -0.66 3.86 0.00 -0.08 -1.28 119.26 122.29 3gkf h ALA 268 Ca 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3gkf h ALA 268 Cb 0.23 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3gkf h ALA 268 CO 0.00 -0.76 0.35 0.28 0.00 0.00 0.00 179.25 179.12 3gkf h VAL 269 N -0.48 1.21 -0.61 0.00 2.07 0.38 -1.73 116.25 117.09 3gkf h VAL 269 Ca -0.05 -0.55 0.08 0.00 0.82 0.00 0.00 66.70 67.00 3gkf h VAL 269 Cb 0.37 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.44 3gkf h VAL 269 CO 0.08 0.24 0.26 1.56 0.02 0.00 0.00 177.57 179.72 3gkf h GLN 270 N 0.90 0.45 0.34 1.57 4.20 0.44 -0.50 115.11 122.52 3gkf h GLN 270 Ca 0.23 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 3gkf h GLN 270 Cb 0.06 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3gkf h GLN 270 CO -0.03 0.30 -0.17 0.00 -0.67 0.00 0.00 178.83 178.25 3gkf h ALA 271 N 1.39 -0.47 -0.24 3.87 0.00 -0.39 -0.50 119.26 122.92 3gkf h ALA 271 Ca 0.30 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3gkf h ALA 271 Cb 0.33 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3gkf h ALA 271 CO -0.27 -0.77 0.03 0.28 0.00 0.00 0.00 179.25 178.52 3gkf h VAL 272 N -0.48 0.87 0.50 0.00 2.07 -1.04 0.12 116.25 118.30 3gkf h VAL 272 Ca -0.05 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3gkf h VAL 272 Cb 0.37 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3gkf h VAL 272 CO 0.07 0.02 -0.24 0.58 0.02 0.00 0.00 177.57 178.02 3gkf h VAL 273 N 0.12 0.00 0.22 2.57 2.07 -0.90 -2.91 116.25 117.43 3gkf h VAL 273 Ca 0.11 -0.45 -0.35 0.00 0.82 0.00 0.00 66.70 66.84 3gkf h VAL 273 Cb 0.12 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 29.91 3gkf h VAL 273 CO -0.16 0.00 -1.62 0.45 0.02 0.00 0.00 177.57 176.26 3gkf h HIS 274 N -1.11 0.86 -0.00 1.57 -0.00 -1.20 -3.39 115.15 111.87 3gkf h HIS 274 Ca -0.07 -0.63 0.00 0.00 -0.00 0.00 0.00 60.37 59.68 3gkf h HIS 274 Cb 0.51 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 3gkf h HIS 274 CO 0.01 1.63 -0.88 0.72 -0.00 0.00 0.00 177.93 179.40 3gkf n HIS 275 N -3.66 0.00 -0.75 2.45 8.25 -0.45 -4.97 115.22 116.09 3gkf n HIS 275 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 3gkf n HIS 275 Cb 1.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.20 3gkf n HIS 275 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gkf n ASN 276 N -1.21 -0.42 -4.56 0.41 3.02 0.31 -4.96 115.26 107.84 3gkf n ASN 276 Ca 0.05 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.20 3gkf n ASN 276 Cb 0.35 -0.07 0.03 0.00 -0.61 0.00 0.00 39.78 39.47 3gkf n ASN 276 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gkf n GLU 277 N -2.14 0.99 -1.91 3.52 -0.58 -0.98 -4.91 120.64 114.63 3gkf n GLU 277 Ca 0.00 0.36 -0.32 0.00 -0.42 0.00 0.00 57.16 56.78 3gkf n GLU 277 Cb 0.00 -1.94 0.02 0.00 -0.57 0.00 0.00 31.44 28.95 3gkf n GLU 277 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3gkf s THR 278 N -1.44 3.88 0.20 2.62 -1.32 -1.26 -4.39 115.64 113.94 3gkf s THR 278 Ca 0.67 0.81 -0.13 0.00 -1.21 0.00 0.00 61.69 61.82 3gkf s THR 278 Cb -0.51 -3.39 0.19 0.00 -1.51 0.00 0.00 72.50 67.29 3gkf s THR 278 CO 0.54 -0.61 1.65 0.00 -2.21 0.00 0.00 174.62 173.99 3gkf h ALA 279 N 0.10 0.45 0.44 11.08 0.00 -1.91 -0.90 119.26 128.52 3gkf h ALA 279 Ca -0.46 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3gkf h ALA 279 Cb 1.22 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 3gkf h ALA 279 CO 0.57 -0.42 -0.25 -0.44 0.00 0.00 0.00 179.25 178.71 3gkf h ASP 280 N 0.04 -0.62 -0.42 0.00 5.19 -1.97 0.22 116.42 118.85 3gkf h ASP 280 Ca 0.29 0.03 0.08 0.00 -0.62 0.00 0.00 57.03 56.81 3gkf h ASP 280 Cb 0.45 0.18 -0.08 0.00 0.18 0.00 0.00 39.33 40.06 3gkf h ASP 280 CO -0.56 -0.41 -0.06 0.03 -3.12 0.00 0.00 179.24 175.12 3gkf h ARG 281 N -0.65 0.05 -0.21 3.56 3.08 -1.87 0.37 114.38 118.70 3gkf h ARG 281 Ca -0.05 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.05 3gkf h ARG 281 Cb 0.53 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.49 3gkf h ARG 281 CO 0.06 0.03 -0.43 0.00 -1.07 0.00 0.00 179.97 178.56 3gkf h ALA 282 N 1.40 -0.56 -0.94 0.04 0.00 -0.41 0.44 119.26 119.22 3gkf h ALA 282 Ca 0.21 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.26 3gkf h ALA 282 Cb 0.31 0.83 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 3gkf h ALA 282 CO -0.40 -0.92 0.56 -0.92 0.00 0.00 0.00 179.25 177.57 3gkf h TYR 283 N -0.45 1.00 -0.11 0.00 -0.00 0.56 -0.03 116.97 117.95 3gkf h TYR 283 Ca 0.09 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.85 3gkf h TYR 283 Cb 0.62 -0.31 -0.01 0.00 -0.00 0.00 0.00 36.73 37.03 3gkf h TYR 283 CO -0.53 0.34 0.06 0.93 -0.00 0.00 0.00 178.16 178.95 3gkf h GLU 284 N 0.84 0.16 0.00 1.82 5.08 0.11 0.29 114.58 122.88 3gkf h GLU 284 Ca 0.49 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.83 3gkf h GLU 284 Cb 0.58 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 3gkf h GLU 284 CO -0.31 0.18 -0.02 1.37 -1.00 0.00 0.00 179.01 179.23 3gkf h LEU 285 N 0.09 0.00 0.43 1.33 -0.00 -0.75 0.40 115.31 116.81 3gkf h LEU 285 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 3gkf h LEU 285 Cb 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.70 3gkf h LEU 285 CO -0.01 0.02 -0.49 0.22 -0.00 0.00 0.00 178.44 178.18 3gkf h TYR 286 N 0.00 -1.37 -0.83 0.17 3.20 0.15 0.10 116.97 118.40 3gkf h TYR 286 Ca -0.00 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3gkf h TYR 286 Cb 0.31 0.54 -0.04 0.00 1.54 0.00 0.00 36.73 39.08 3gkf h TYR 286 CO 0.00 -0.64 0.43 -0.07 -1.64 0.00 0.00 178.16 176.23 3gkf h LEU 287 N -0.94 1.05 -0.50 2.82 3.38 -0.49 -2.57 115.31 118.06 3gkf h LEU 287 Ca -0.05 -0.11 0.10 0.00 0.09 0.00 0.00 57.88 57.92 3gkf h LEU 287 Cb 0.84 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 3gkf h LEU 287 CO -0.10 0.86 -0.19 -1.28 0.09 0.00 0.00 178.44 177.82 3gkf h SER 288 N 1.16 -0.67 1.36 -0.43 0.87 -0.02 -3.08 113.55 112.74 3gkf h SER 288 Ca 0.29 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 3gkf h SER 288 Cb 0.07 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3gkf h SER 288 CO -0.04 -0.22 0.00 -0.33 -0.53 0.00 0.00 176.83 175.70 3gkf h GLU 289 N -0.08 0.00 0.00 2.24 4.39 -0.38 -3.50 114.58 117.25 3gkf h GLU 289 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 3gkf h GLU 289 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3gkf h GLU 289 CO -0.56 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 178.92