#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 2.88 -0.26 1.61 1.02 -1.26 -5.11 119.74 118.62 3gkf s LYS 11 Ca 0.00 -0.48 -0.00 0.00 0.02 0.00 0.00 55.97 55.51 3gkf s LYS 11 Cb 0.00 -2.71 0.04 0.00 -0.52 0.00 0.00 37.83 34.64 3gkf s LYS 11 CO 0.00 0.68 -0.07 0.34 -0.92 0.00 0.00 175.35 175.38 3gkf s ASP 12 N -0.98 4.39 0.00 2.83 2.15 -1.26 -4.95 116.67 118.85 3gkf s ASP 12 Ca 0.14 -1.10 0.26 0.00 0.43 0.00 0.00 52.55 52.28 3gkf s ASP 12 Cb -0.11 -1.63 0.70 0.00 -0.30 0.00 0.00 42.92 41.58 3gkf s ASP 12 CO 0.03 -0.17 1.55 0.49 -0.17 0.00 0.00 175.17 176.90 3gkf n PHE 13 N 4.58 0.03 -3.81 -5.34 3.72 -1.26 -4.96 117.46 110.42 3gkf n PHE 13 Ca -0.15 -0.02 -0.31 0.00 -0.05 0.00 0.00 57.45 56.92 3gkf n PHE 13 Cb 0.45 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.01 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 0.66 -1.90 0.26 -1.08 3.00 -1.26 -4.79 116.66 111.55 3gkf n ARG 14 Ca 0.17 0.40 0.12 0.00 -0.00 0.00 0.00 57.85 58.55 3gkf n ARG 14 Cb 0.45 -4.12 0.69 0.00 0.00 0.00 0.00 32.46 29.48 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 -1.95 0.56 0.00 5.15 1.35 -2.02 -2.01 112.91 113.99 3gkf h THR 15 Ca -0.66 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 3gkf h THR 15 Cb 1.37 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3gkf h THR 15 CO 0.54 0.13 0.00 -2.24 -0.25 0.00 0.00 175.52 173.70 3gkf h ASP 16 N 0.00 0.00 -3.71 5.36 2.03 -2.04 -3.40 116.42 114.66 3gkf h ASP 16 Ca -0.00 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.63 3gkf h ASP 16 Cb 0.39 0.00 -0.36 0.00 -0.83 0.00 0.00 39.33 38.53 3gkf h ASP 16 CO 0.02 0.00 -0.80 -1.58 -1.03 0.00 0.00 179.24 175.85 3gkf s GLN 17 N -3.39 2.41 -0.01 4.15 0.74 -0.76 -5.10 119.66 117.70 3gkf s GLN 17 Ca 0.04 -1.24 -0.20 0.00 0.05 0.00 0.00 55.36 54.02 3gkf s GLN 17 Cb 0.09 -2.87 -0.05 0.00 1.10 0.00 0.00 33.01 31.28 3gkf s GLN 17 CO 0.48 -0.51 0.57 -1.25 -0.55 0.00 0.00 175.29 174.03 3gkf s PRO 18 N 1.16 4.28 0.28 1.67 0.04 -1.26 -4.91 135.00 136.26 3gkf s PRO 18 Ca -0.06 0.69 -0.30 0.00 0.04 0.00 0.00 61.00 61.37 3gkf s PRO 18 Cb -0.19 -3.33 -0.13 0.00 0.04 0.00 0.00 34.50 30.89 3gkf s PRO 18 CO -0.06 0.40 1.39 0.94 0.04 0.00 0.00 177.00 179.71 3gkf n GLN 19 N 2.64 2.15 -4.24 4.56 7.27 -1.26 -5.00 117.38 123.51 3gkf n GLN 19 Ca -0.08 0.76 -0.18 0.00 0.07 0.00 0.00 57.00 57.58 3gkf n GLN 19 Cb 0.51 -2.41 -0.13 0.00 2.41 0.00 0.00 30.24 30.63 3gkf n GLN 19 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3gkf s LYS 20 N -0.94 0.78 -0.15 3.69 2.20 -1.26 -5.13 119.74 118.93 3gkf s LYS 20 Ca 0.63 -0.74 -0.23 0.00 -0.36 0.00 0.00 55.97 55.26 3gkf s LYS 20 Cb -0.60 -0.73 -0.02 0.00 -1.51 0.00 0.00 37.83 34.96 3gkf s LYS 20 CO 0.54 0.17 0.74 -0.80 -0.36 0.00 0.00 175.35 175.64 3gkf s ASN 21 N -1.25 6.88 -0.16 1.43 0.01 -1.26 -5.02 114.94 115.57 3gkf s ASN 21 Ca -0.02 1.08 -0.29 0.00 -0.71 0.00 0.00 52.86 52.92 3gkf s ASN 21 Cb -0.08 -2.41 -0.01 0.00 0.41 0.00 0.00 41.25 39.15 3gkf s ASN 21 CO 0.01 -0.29 1.25 -0.63 -1.51 0.00 0.00 177.10 175.94 3gkf s ILE 22 N 1.73 4.29 0.63 0.60 1.09 -1.26 -5.00 121.20 123.28 3gkf s ILE 22 Ca 0.35 1.56 -0.18 0.00 -1.10 0.00 0.00 60.65 61.28 3gkf s ILE 22 Cb -0.17 -4.01 -0.02 0.00 -1.06 0.00 0.00 42.46 37.21 3gkf s ILE 22 CO 0.13 -0.13 1.25 -2.84 -0.10 0.00 0.00 174.94 173.26 3gkf s PRO 23 N 3.43 2.72 -0.29 2.79 0.02 -1.26 -5.01 135.00 137.40 3gkf s PRO 23 Ca 0.54 1.95 -0.06 0.00 0.02 0.00 0.00 61.00 63.46 3gkf s PRO 23 Cb -0.22 -1.88 0.02 0.00 0.02 0.00 0.00 34.50 32.44 3gkf s PRO 23 CO 0.15 -1.44 0.06 0.12 -0.33 0.00 0.00 177.00 175.55 3gkf s PHE 24 N -1.50 3.15 -0.54 6.54 5.36 -1.26 -5.00 117.98 124.74 3gkf s PHE 24 Ca 0.80 -1.18 0.22 0.00 -0.96 0.00 0.00 56.93 55.82 3gkf s PHE 24 Cb -0.34 -2.22 -0.10 0.00 -0.34 0.00 0.00 43.02 40.02 3gkf s PHE 24 CO 0.37 -0.63 0.88 0.25 -1.46 0.00 0.00 175.22 174.62 3gkf n THR 25 N 4.81 0.12 -1.57 0.12 -2.24 -1.26 -4.53 114.28 109.73 3gkf n THR 25 Ca -0.15 -0.27 -0.48 0.00 -2.27 0.00 0.00 64.05 60.89 3gkf n THR 25 Cb 0.47 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.97 1.37 -4.65 3.22 7.94 -1.26 -4.72 117.00 116.93 3gkf n LEU 26 Ca 0.01 1.15 -0.42 0.00 -1.11 0.00 0.00 56.01 55.64 3gkf n LEU 26 Cb 0.45 -1.21 -0.03 0.00 0.53 0.00 0.00 43.42 43.16 3gkf n LEU 26 CO 0.42 -1.46 1.45 -0.75 -1.11 0.00 0.00 177.39 175.94 3gkf s LYS 27 N -0.75 4.02 -0.11 1.96 2.20 -1.26 -2.00 119.74 123.78 3gkf s LYS 27 Ca 0.69 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 58.45 3gkf s LYS 27 Cb -0.82 -4.06 0.00 0.00 -1.51 0.00 0.00 37.83 31.44 3gkf s LYS 27 CO 0.55 -1.05 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 3gkf n GLY 28 N 4.44 0.47 0.50 5.54 0.00 -1.23 -3.67 105.19 111.25 3gkf n GLY 28 Ca 0.19 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.19 -1.38 2.01 0.00 0.00 -1.26 -3.85 105.19 99.52 3gkf n GLY 30 Ca 0.20 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.39 4.78 -2.60 4.61 0.00 -1.26 -4.95 120.51 119.70 3gkf n ALA 31 Ca 0.10 -3.69 -0.27 0.00 0.00 0.00 0.00 53.44 49.59 3gkf n ALA 31 Cb 0.29 -0.36 -0.09 0.00 0.00 0.00 0.00 19.45 19.29 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 -3.58 3.07 0.89 0.00 1.43 -1.25 -5.11 118.68 114.13 3gkf s LEU 32 Ca 0.49 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 3gkf s LEU 32 Cb 0.40 -1.75 0.13 0.00 0.03 0.00 0.00 46.19 45.01 3gkf s LEU 32 CO 0.03 0.10 1.11 -0.62 0.23 0.00 0.00 176.35 177.20 3gkf s ASP 33 N -2.84 3.28 0.17 2.29 2.15 -1.26 -4.68 116.67 115.78 3gkf s ASP 33 Ca 0.25 1.91 -0.15 0.00 0.43 0.00 0.00 52.55 54.99 3gkf s ASP 33 Cb -0.09 -2.47 0.11 0.00 -0.30 0.00 0.00 42.92 40.17 3gkf s ASP 33 CO 0.16 -2.83 1.72 -0.25 -0.17 0.00 0.00 175.17 173.80 3gkf h TRP 34 N -1.68 0.12 -0.48 -5.34 7.01 -1.99 -0.85 115.95 112.74 3gkf h TRP 34 Ca -0.46 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.55 3gkf h TRP 34 Cb 1.27 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 28.31 3gkf h TRP 34 CO 0.49 0.00 0.26 0.78 -2.79 0.00 0.00 178.44 177.18 3gkf h GLY 35 N 0.20 0.72 0.92 2.65 0.00 -1.92 0.33 103.07 105.97 3gkf h GLY 35 Ca 0.20 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 3gkf h GLY 35 CO -0.27 0.32 0.09 1.98 0.00 0.00 0.00 176.54 178.66 3gkf h MET 36 N 0.64 0.59 -0.32 4.80 1.85 -1.52 -0.59 114.93 120.38 3gkf h MET 36 Ca 0.17 -0.14 -0.01 0.00 -0.61 0.00 0.00 59.70 59.11 3gkf h MET 36 Cb 0.06 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.00 3gkf h MET 36 CO -0.03 0.63 0.17 1.96 -0.40 0.00 0.00 176.91 179.24 3gkf h GLN 37 N 0.45 0.44 -0.34 0.39 4.20 -0.71 -1.64 115.11 117.90 3gkf h GLN 37 Ca 0.12 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 3gkf h GLN 37 Cb 0.30 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3gkf h GLN 37 CO 0.00 0.33 0.02 1.03 -0.67 0.00 0.00 178.83 179.54 3gkf h SER 38 N 0.45 0.58 -0.37 1.46 0.87 0.31 -0.35 113.55 116.49 3gkf h SER 38 Ca 0.12 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.36 3gkf h SER 38 Cb 0.02 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3gkf h SER 38 CO -0.02 0.73 0.13 0.03 -0.53 0.00 0.00 176.83 177.17 3gkf h ARG 39 N 0.41 0.57 -0.65 2.24 3.08 -0.55 -2.17 114.38 117.31 3gkf h ARG 39 Ca 0.10 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3gkf h ARG 39 Cb 0.42 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 3gkf h ARG 39 CO 0.01 0.57 0.41 -0.07 -1.07 0.00 0.00 179.97 179.82 3gkf h LEU 40 N 0.46 0.76 -1.41 3.04 3.38 -1.26 -1.85 115.31 118.42 3gkf h LEU 40 Ca 0.12 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3gkf h LEU 40 Cb 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3gkf h LEU 40 CO -0.01 0.57 -0.26 0.28 0.09 0.00 0.00 178.44 179.11 3gkf h SER 41 N 0.89 0.00 -0.50 -0.43 0.02 -0.64 0.17 113.55 113.06 3gkf h SER 41 Ca 0.24 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.07 3gkf h SER 41 Cb -0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3gkf h SER 41 CO -0.05 0.26 -0.13 0.03 -1.14 0.00 0.00 176.83 175.81 3gkf h ARG 42 N 0.00 0.96 0.14 3.45 3.08 -0.72 -3.33 114.38 117.97 3gkf h ARG 42 Ca -0.00 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 3gkf h ARG 42 Cb 0.60 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3gkf h ARG 42 CO 0.03 1.04 -0.07 0.82 -1.07 0.00 0.00 179.97 180.73 3gkf h ILE 43 N 0.82 0.71 -3.73 2.04 2.04 -1.11 -3.44 117.51 114.85 3gkf h ILE 43 Ca 0.12 -1.20 -0.63 0.00 1.00 0.00 0.00 64.86 64.16 3gkf h ILE 43 Cb 0.69 1.25 -0.15 0.00 -0.74 0.00 0.00 36.82 37.87 3gkf h ILE 43 CO 0.05 0.20 -0.33 -0.36 0.00 0.00 0.00 178.15 177.72 3gkf s PHE 44 N -2.92 3.26 0.06 1.37 0.08 0.53 -4.54 117.98 115.83 3gkf s PHE 44 Ca -0.11 0.34 -0.34 0.00 0.12 0.00 0.00 56.93 56.95 3gkf s PHE 44 Cb -0.00 -2.49 -0.13 0.00 -0.57 0.00 0.00 43.02 39.83 3gkf s PHE 44 CO 0.39 -0.17 1.71 -1.71 -0.10 0.00 0.00 175.22 175.34 3gkf n ASN 45 N 5.10 3.28 -0.26 1.36 2.85 0.03 -4.46 115.26 123.16 3gkf n ASN 45 Ca -0.10 1.04 -0.04 0.00 -0.11 0.00 0.00 54.58 55.37 3gkf n ASN 45 Cb 0.51 -1.41 0.13 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 7.32 1.11 0.43 1.20 0.11 -1.90 2.30 132.00 142.57 3gkf h PRO 46 Ca -0.46 -0.16 -0.02 0.00 0.11 0.00 0.00 66.00 65.46 3gkf h PRO 46 Cb 1.26 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gkf h PRO 46 CO 0.91 0.86 -0.21 0.87 -0.21 0.00 0.00 178.00 180.23 3gkf h LYS 47 N 1.10 -0.56 0.00 1.05 1.79 -1.98 -3.32 116.57 114.65 3gkf h LYS 47 Ca 0.26 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 3gkf h LYS 47 Cb 0.13 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 3gkf h LYS 47 CO -0.03 -0.32 -1.21 0.25 -1.08 0.00 0.00 179.45 177.07 3gkf n THR 48 N -5.30 0.09 -2.45 -0.16 -2.24 -1.13 -4.98 114.28 98.12 3gkf n THR 48 Ca -0.11 -0.23 -0.16 0.00 -2.27 0.00 0.00 64.05 61.28 3gkf n THR 48 Cb 0.27 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 1.38 -0.28 3.21 3.38 0.00 0.77 -4.98 105.19 108.67 3gkf n GLY 49 Ca 0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.97 1.05 -0.01 1.61 1.02 -1.21 -4.80 119.74 112.44 3gkf s LYS 50 Ca 0.06 -1.43 -0.05 0.00 0.02 0.00 0.00 55.97 54.57 3gkf s LYS 50 Cb -0.03 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.56 3gkf s LYS 50 CO 0.08 -0.33 0.11 -0.08 -0.92 0.00 0.00 175.35 174.20 3gkf s THR 51 N -4.06 0.06 -0.31 2.17 -1.32 -0.08 -0.79 115.64 111.31 3gkf s THR 51 Ca 0.26 -0.51 -0.07 0.00 -1.21 0.00 0.00 61.69 60.17 3gkf s THR 51 Cb 0.06 -0.33 0.02 0.00 -1.51 0.00 0.00 72.50 70.74 3gkf s THR 51 CO 0.04 -0.28 0.09 -0.69 -2.21 0.00 0.00 174.62 171.57 3gkf s VAL 52 N -0.94 3.92 -0.16 5.08 1.01 -1.26 -2.32 120.40 125.73 3gkf s VAL 52 Ca -0.10 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 3gkf s VAL 52 Cb -0.06 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 3gkf s VAL 52 CO 0.01 0.02 -0.01 -0.32 0.00 0.00 0.00 175.10 174.80 3gkf s MET 53 N 1.48 3.74 -0.49 2.72 0.00 -0.69 -0.38 119.30 125.68 3gkf s MET 53 Ca 0.02 -0.48 -0.13 0.00 0.00 0.00 0.00 55.69 55.10 3gkf s MET 53 Cb -0.18 -2.99 0.10 0.00 0.00 0.00 0.00 34.83 31.77 3gkf s MET 53 CO 0.02 0.24 0.40 -1.17 0.00 0.00 0.00 175.02 174.51 3gkf s LEU 54 N 0.39 5.75 -0.22 4.11 2.96 -0.32 -3.94 118.68 127.42 3gkf s LEU 54 Ca -0.02 -1.65 -0.08 0.00 -0.22 0.00 0.00 54.13 52.15 3gkf s LEU 54 Cb -0.14 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 3gkf s LEU 54 CO 0.02 -0.71 0.10 0.00 -1.32 0.00 0.00 176.35 174.44 3gkf s ALA 55 N 1.53 3.41 -0.37 5.97 0.00 -1.26 -1.92 121.76 129.11 3gkf s ALA 55 Ca 0.04 -0.88 0.12 0.00 0.00 0.00 0.00 51.96 51.24 3gkf s ALA 55 Cb -0.26 -2.09 0.44 0.00 0.00 0.00 0.00 23.12 21.21 3gkf s ALA 55 CO 0.03 -0.10 1.02 1.97 0.00 0.00 0.00 175.76 178.68 3gkf n PHE 56 N 4.10 2.13 1.03 0.00 1.16 0.49 -4.68 117.46 121.70 3gkf n PHE 56 Ca -0.16 -2.92 0.12 0.00 -1.87 0.00 0.00 57.45 52.62 3gkf n PHE 56 Cb 0.52 -0.25 0.08 0.00 -1.61 0.00 0.00 39.48 38.22 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 2.42 0.22 5.98 5.75 -1.23 -4.49 116.55 124.95 3gkf n ASP 57 Ca 0.22 -1.72 0.16 0.00 -0.01 0.00 0.00 54.79 53.44 3gkf n ASP 57 Cb 0.75 0.22 0.83 0.00 -1.03 0.00 0.00 41.12 41.90 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 3.45 0.00 0.00 2.11 -0.00 -1.93 0.12 115.15 118.90 3gkf h HIS 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3gkf h HIS 58 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.26 3gkf h HIS 58 CO 0.00 0.00 0.37 0.78 -0.00 0.00 0.00 177.93 179.08 3gkf h GLY 59 N 0.00 0.00 1.52 2.45 0.00 -1.79 -1.76 103.07 103.48 3gkf h GLY 59 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3gkf h GLY 59 CO -0.00 0.00 0.25 0.10 0.00 0.00 0.00 176.54 176.88 3gkf h TYR 60 N 0.00 0.62 0.00 5.60 -0.00 -1.04 -2.05 116.97 120.10 3gkf h TYR 60 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.72 3gkf h TYR 60 Cb 0.73 -0.20 0.00 0.00 0.00 0.00 0.00 36.73 37.26 3gkf h TYR 60 CO 0.00 0.45 0.00 1.97 -0.00 0.00 0.00 178.16 180.58 3gkf n PHE 61 N -4.41 0.00 0.21 0.10 1.16 -1.01 -4.71 117.46 108.79 3gkf n PHE 61 Ca 0.04 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.65 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 -0.19 2.71 0.00 3.97 6.02 -0.69 -1.86 117.38 127.33 3gkf n GLN 62 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 3gkf n GLN 62 Cb 0.05 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.31 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 1.55 -0.70 3.25 1.08 0.00 -0.78 -4.28 105.19 105.30 3gkf n GLY 63 Ca 0.00 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 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 2.24 -0.83 1.61 -0.02 -1.26 -3.99 135.00 132.74 3gkf n PRO 64 Ca 0.00 -2.51 -0.32 0.00 -2.02 0.00 0.00 63.50 58.65 3gkf n PRO 64 Cb 0.00 -3.34 0.15 0.00 -0.02 0.00 0.00 33.50 30.28 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 6.34 0.63 -1.76 3.45 -1.04 -1.26 -4.68 114.28 115.96 3gkf n THR 65 Ca 0.49 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.98 3gkf n THR 65 Cb 0.43 -0.98 -0.03 0.00 -1.82 0.00 0.00 70.33 67.93 3gkf n THR 65 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3gkf s THR 66 N -2.43 2.16 0.00 12.58 2.01 -1.26 -1.37 115.64 127.33 3gkf s THR 66 Ca 0.67 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.76 3gkf s THR 66 Cb -0.25 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.20 3gkf s THR 66 CO 0.58 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 3gkf n GLY 67 N 3.96 2.61 1.05 4.40 0.00 -1.26 -4.78 105.19 111.16 3gkf n GLY 67 Ca 0.16 0.00 0.08 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 3.72 -0.09 0.99 4.77 -0.47 -4.66 117.00 121.26 3gkf n LEU 68 Ca 0.00 -2.27 -0.07 0.00 -0.03 0.00 0.00 56.01 53.64 3gkf n LEU 68 Cb 0.00 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3gkf n LEU 68 CO 0.00 0.79 0.93 -0.33 -1.33 0.00 0.00 177.39 177.45 3gkf h GLU 69 N 2.92 0.23 -2.99 3.23 3.07 -1.80 -3.33 114.58 115.91 3gkf h GLU 69 Ca 0.00 -0.01 -0.61 0.00 -0.50 0.00 0.00 59.36 58.23 3gkf h GLU 69 Cb 1.07 -0.05 -0.40 0.00 -0.84 0.00 0.00 28.75 28.52 3gkf h GLU 69 CO 0.09 0.15 -0.72 1.03 -1.40 0.00 0.00 179.01 178.16 3gkf s ARG 70 N -6.17 1.52 0.29 2.33 1.81 -1.26 -4.95 118.95 112.52 3gkf s ARG 70 Ca -0.13 -2.30 0.04 0.00 -1.72 0.00 0.00 55.73 51.61 3gkf s ARG 70 Cb 0.11 -2.53 0.65 0.00 -0.45 0.00 0.00 34.95 32.73 3gkf s ARG 70 CO 0.70 -1.20 1.80 0.82 -0.68 0.00 0.00 175.30 176.75 3gkf h ILE 71 N 5.09 0.80 0.00 1.52 1.08 -1.89 -0.26 117.51 123.85 3gkf h ILE 71 Ca 0.03 -0.30 -0.03 0.00 -0.39 0.00 0.00 64.86 64.18 3gkf h ILE 71 Cb 0.89 -0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.50 3gkf h ILE 71 CO 0.53 0.16 -0.13 -2.24 -0.69 0.00 0.00 178.15 175.78 3gkf h ASP 72 N 0.87 0.00 0.00 1.72 2.03 -1.93 -1.18 116.42 117.93 3gkf h ASP 72 Ca 0.54 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.65 3gkf h ASP 72 Cb 0.71 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.18 3gkf h ASP 72 CO -0.33 0.13 -1.52 -0.38 -1.03 0.00 0.00 179.24 176.11 3gkf n ILE 73 N -3.92 1.31 0.10 4.15 5.41 -0.83 -4.14 119.36 121.45 3gkf n ILE 73 Ca -0.02 -0.06 -0.13 0.00 1.00 0.00 0.00 62.75 63.54 3gkf n ILE 73 Cb 0.22 -1.98 -0.08 0.00 -0.71 0.00 0.00 39.64 37.09 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 -0.77 -0.17 0.50 4.38 -1.24 -1.13 -3.36 115.58 113.79 3gkf h ASN 74 Ca -0.28 -0.06 -0.17 0.00 0.71 0.00 0.00 56.30 56.49 3gkf h ASN 74 Cb 1.14 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 40.20 3gkf h ASN 74 CO -0.17 -0.04 -1.64 -0.38 -1.29 0.00 0.00 177.43 173.90 3gkf n ILE 75 N -5.14 1.04 -0.26 2.57 2.08 -0.53 -4.38 119.36 114.74 3gkf n ILE 75 Ca -0.09 -0.69 0.05 0.00 0.56 0.00 0.00 62.75 62.59 3gkf n ILE 75 Cb 0.14 -0.58 0.19 0.00 -0.75 0.00 0.00 39.64 38.64 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 1.45 1.07 -0.07 -1.39 0.00 -1.46 0.33 119.26 119.19 3gkf h ALA 76 Ca -0.20 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3gkf h ALA 76 Cb 1.59 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 3gkf h ALA 76 CO 0.04 -0.22 0.08 -1.35 0.00 0.00 0.00 179.25 177.79 3gkf h PRO 77 N 0.43 0.00 0.00 0.00 0.10 -1.76 -3.09 132.00 127.67 3gkf h PRO 77 Ca 0.42 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 66.50 3gkf h PRO 77 Cb 0.64 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 31.74 3gkf h PRO 77 CO -0.41 0.00 -0.09 -0.07 0.10 0.00 0.00 178.00 177.53 3gkf h LEU 78 N 0.00 0.00 -0.31 2.35 3.38 -0.57 -3.38 115.31 116.78 3gkf h LEU 78 Ca 0.03 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3gkf h LEU 78 Cb 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3gkf h LEU 78 CO -0.00 0.08 0.07 -0.26 0.09 0.00 0.00 178.44 178.42 3gkf h PHE 79 N 0.00 0.11 -0.04 1.13 0.04 -1.52 -2.43 116.94 114.23 3gkf h PHE 79 Ca -0.00 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.80 3gkf h PHE 79 Cb 1.06 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.21 3gkf h PHE 79 CO 0.00 0.03 0.10 1.05 -0.60 0.00 0.00 178.31 178.88 3gkf h GLU 80 N 0.18 0.00 -0.66 1.51 4.11 -1.83 -0.59 114.58 117.31 3gkf h GLU 80 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 3gkf h GLU 80 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3gkf h GLU 80 CO -0.18 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.62 3gkf n HIS 81 N -3.34 1.16 -4.21 2.06 8.25 -0.91 -4.89 115.22 113.33 3gkf n HIS 81 Ca -0.02 -0.50 -0.30 0.00 -0.26 0.00 0.00 57.72 56.64 3gkf n HIS 81 Cb 0.18 -0.13 -0.09 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.51 3.11 0.02 -1.41 0.00 -0.23 -4.90 121.76 116.86 3gkf s ALA 82 Ca 0.46 -1.16 -0.17 0.00 0.00 0.00 0.00 51.96 51.09 3gkf s ALA 82 Cb 0.27 -1.06 -0.29 0.00 0.00 0.00 0.00 23.12 22.04 3gkf s ALA 82 CO 0.26 0.67 1.05 -0.44 0.00 0.00 0.00 175.76 177.30 3gkf h ASP 83 N 3.65 0.75 -4.24 0.00 3.32 -1.01 -3.47 116.42 115.40 3gkf h ASP 83 Ca -0.48 -0.85 -0.18 0.00 0.02 0.00 0.00 57.03 55.54 3gkf h ASP 83 Cb 1.17 -0.24 -0.24 0.00 0.22 0.00 0.00 39.33 40.24 3gkf h ASP 83 CO 0.56 1.52 -0.56 0.54 -1.72 0.00 0.00 179.24 179.58 3gkf s VAL 84 N -2.88 0.04 0.09 -1.35 0.11 -1.08 -4.10 120.40 111.22 3gkf s VAL 84 Ca -0.11 -0.29 0.02 0.00 -2.93 0.00 0.00 61.98 58.67 3gkf s VAL 84 Cb 0.04 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 3gkf s VAL 84 CO 0.90 -0.16 0.17 -0.76 -3.33 0.00 0.00 175.10 171.92 3gkf s LEU 85 N -0.51 4.14 -0.12 2.54 1.43 0.23 -1.17 118.68 125.22 3gkf s LEU 85 Ca -0.06 0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 3gkf s LEU 85 Cb -0.04 -2.76 0.04 0.00 0.03 0.00 0.00 46.19 43.46 3gkf s LEU 85 CO 0.00 0.14 0.00 -0.32 0.23 0.00 0.00 176.35 176.41 3gkf s MET 86 N -2.63 0.74 0.23 1.70 -2.45 -0.81 0.06 119.30 116.15 3gkf s MET 86 Ca 0.33 -0.11 -0.04 0.00 -1.25 0.00 0.00 55.69 54.61 3gkf s MET 86 Cb -0.12 -1.43 0.02 0.00 1.25 0.00 0.00 34.83 34.55 3gkf s MET 86 CO 0.26 -0.41 0.37 0.00 1.05 0.00 0.00 175.02 176.29 3gkf s THR 88 N -2.60 3.52 0.26 0.00 -4.23 -1.26 -1.05 115.64 110.28 3gkf s THR 88 Ca 0.15 -0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.75 3gkf s THR 88 Cb -0.01 -3.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 3gkf s THR 88 CO 0.11 -0.43 1.58 0.08 -0.54 0.00 0.00 174.62 175.42 3gkf h ARG 89 N -0.23 0.07 0.29 3.99 0.11 -1.97 -0.77 114.38 115.87 3gkf h ARG 89 Ca -0.45 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 59.56 3gkf h ARG 89 Cb 1.26 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.35 3gkf h ARG 89 CO 0.61 0.68 -0.14 0.78 0.10 0.00 0.00 179.97 182.00 3gkf h GLY 90 N 1.78 -0.41 0.90 0.08 0.00 -1.96 -1.84 103.07 101.63 3gkf h GLY 90 Ca -0.01 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 3gkf h GLY 90 CO 0.09 -0.15 0.09 -2.22 0.00 0.00 0.00 176.54 174.35 3gkf h ILE 91 N -0.49 1.20 -0.33 2.60 1.08 -1.93 -2.54 117.51 117.10 3gkf h ILE 91 Ca -0.04 -0.66 0.07 0.00 -0.39 0.00 0.00 64.86 63.85 3gkf h ILE 91 Cb 0.37 1.06 -0.08 0.00 -3.07 0.00 0.00 36.82 35.10 3gkf h ILE 91 CO 0.07 0.22 -0.22 0.25 -0.69 0.00 0.00 178.15 177.78 3gkf h LEU 92 N 0.33 -0.71 -0.74 1.44 5.85 -1.11 0.32 115.31 120.69 3gkf h LEU 92 Ca 0.10 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 3gkf h LEU 92 Cb 0.25 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3gkf h LEU 92 CO -0.00 -0.25 0.29 0.03 -0.34 0.00 0.00 178.44 178.17 3gkf h ARG 93 N -0.18 1.10 0.25 1.25 3.08 -1.25 -2.75 114.38 115.90 3gkf h ARG 93 Ca 0.17 -0.20 -0.34 0.00 0.07 0.00 0.00 59.98 59.67 3gkf h ARG 93 Cb 0.44 -0.18 0.04 0.00 0.08 0.00 0.00 29.97 30.35 3gkf h ARG 93 CO -0.43 0.91 -1.51 0.66 -1.07 0.00 0.00 179.97 178.52 3gkf h SER 94 N 1.06 0.84 0.00 7.04 4.64 -0.99 -3.41 113.55 122.72 3gkf h SER 94 Ca 0.24 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 3gkf h SER 94 Cb 0.22 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3gkf h SER 94 CO -0.02 1.72 0.00 1.33 -0.87 0.00 0.00 176.83 178.99 3gkf n VAL 95 N -3.71 0.14 -3.65 0.95 0.24 0.05 -4.97 118.33 107.38 3gkf n VAL 95 Ca -0.18 -0.18 -0.37 0.00 -2.04 0.00 0.00 64.34 61.57 3gkf n VAL 95 Cb 1.11 1.20 -0.12 0.00 -1.47 0.00 0.00 33.84 34.56 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 -0.14 4.90 0.06 3.34 1.01 -1.04 -4.67 120.40 123.86 3gkf s VAL 96 Ca 0.00 0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.68 3gkf s VAL 96 Cb 0.00 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 32.98 3gkf s VAL 96 CO 0.00 0.27 1.48 -2.84 0.00 0.00 0.00 175.10 174.01 3gkf s PRO 97 N 1.70 4.27 0.46 2.72 0.02 -1.26 -4.73 135.00 138.17 3gkf s PRO 97 Ca 0.07 2.11 0.24 0.00 0.02 0.00 0.00 61.00 63.44 3gkf s PRO 97 Cb -0.16 -3.47 1.26 0.00 0.02 0.00 0.00 34.50 32.15 3gkf s PRO 97 CO 0.08 -0.58 1.82 -1.35 -0.33 0.00 0.00 177.00 176.64 3gkf h PRO 98 N 7.64 0.24 0.00 5.54 0.11 -1.95 0.21 132.00 143.79 3gkf h PRO 98 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3gkf h PRO 98 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3gkf h PRO 98 CO 0.90 0.16 0.00 0.00 -0.21 0.00 0.00 178.00 178.85 3gkf n ALA 99 N -2.59 1.80 0.27 -0.75 0.00 -1.26 -2.56 120.51 115.42 3gkf n ALA 99 Ca 0.22 -0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.75 3gkf n ALA 99 Cb 0.91 -1.27 0.79 0.00 0.00 0.00 0.00 19.45 19.89 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 0.00 -6.89 0.00 2.02 -0.95 -3.44 112.91 103.65 3gkf h THR 100 Ca 0.00 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.61 3gkf h THR 100 Cb 0.24 0.65 -0.28 0.00 -1.74 0.00 0.00 68.15 67.02 3gkf h THR 100 CO 0.00 0.00 -0.85 -3.20 0.37 0.00 0.00 175.52 171.84 3gkf n ASN 101 N -2.67 -2.73 -4.33 4.18 5.15 -1.06 -4.88 115.26 108.93 3gkf n ASN 101 Ca -0.02 -1.08 -0.28 0.00 -0.60 0.00 0.00 54.58 52.60 3gkf n ASN 101 Cb 0.23 -2.28 -0.14 0.00 -0.53 0.00 0.00 39.78 37.06 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 -7.02 1.59 0.34 1.20 6.06 -1.26 -5.11 118.95 114.74 3gkf s ARG 102 Ca 0.77 -1.12 -0.29 0.00 -2.50 0.00 0.00 55.73 52.60 3gkf s ARG 102 Cb -0.44 -1.82 -0.10 0.00 0.06 0.00 0.00 34.95 32.65 3gkf s ARG 102 CO 0.95 0.46 1.36 -2.14 -2.50 0.00 0.00 175.30 173.42 3gkf s PRO 103 N -1.42 4.29 0.08 5.12 0.02 -1.26 -4.80 135.00 137.04 3gkf s PRO 103 Ca 0.11 2.30 0.09 0.00 0.02 0.00 0.00 61.00 63.53 3gkf s PRO 103 Cb -0.10 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 3gkf s PRO 103 CO 0.03 -0.28 -0.24 0.14 -0.33 0.00 0.00 177.00 176.32 3gkf s VAL 104 N -1.08 2.42 -0.32 3.83 -7.23 -1.26 -0.60 120.40 116.16 3gkf s VAL 104 Ca 0.50 -1.49 -0.05 0.00 -1.81 0.00 0.00 61.98 59.13 3gkf s VAL 104 Cb -0.41 -2.03 0.04 0.00 0.56 0.00 0.00 36.38 34.53 3gkf s VAL 104 CO 0.55 0.23 0.07 -0.69 -0.31 0.00 0.00 175.10 174.94 3gkf s VAL 105 N -0.97 3.57 0.03 1.32 1.01 0.11 -1.09 120.40 124.38 3gkf s VAL 105 Ca 0.14 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 3gkf s VAL 105 Cb -0.10 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 3gkf s VAL 105 CO 0.05 -0.12 1.02 -0.76 0.00 0.00 0.00 175.10 175.30 3gkf s LEU 106 N 1.37 4.39 -0.12 3.92 1.43 -0.14 -3.24 118.68 126.29 3gkf s LEU 106 Ca -0.02 1.76 -0.30 0.00 -1.03 0.00 0.00 54.13 54.55 3gkf s LEU 106 Cb -0.19 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 3gkf s LEU 106 CO 0.02 -0.27 1.21 -0.60 0.23 0.00 0.00 176.35 176.93 3gkf s ARG 107 N 0.83 4.30 -0.12 1.70 6.06 -0.21 0.37 118.95 131.88 3gkf s ARG 107 Ca 0.53 1.64 0.17 0.00 -2.50 0.00 0.00 55.73 55.56 3gkf s ARG 107 Cb -0.23 -3.65 0.26 0.00 0.06 0.00 0.00 34.95 31.38 3gkf s ARG 107 CO 0.29 -0.57 1.13 0.00 -2.50 0.00 0.00 175.30 173.65 3gkf n ALA 108 N 5.88 2.23 -2.40 6.12 0.00 0.26 -4.49 120.51 128.10 3gkf n ALA 108 Ca 0.12 -2.44 -0.20 0.00 0.00 0.00 0.00 53.44 50.91 3gkf n ALA 108 Cb 0.46 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.66 2.80 0.00 0.00 1.04 -1.22 0.90 113.70 114.56 3gkf s SER 109 Ca 0.28 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.61 3gkf s SER 109 Cb 0.25 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.19 3gkf s SER 109 CO 0.03 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.64 3gkf n GLY 110 N -0.51 -0.55 1.69 7.32 0.00 -0.46 -4.64 105.19 108.05 3gkf n GLY 110 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.61 4.61 0.00 -1.26 -0.12 120.51 121.13 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 -0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.14 4.97 0.22 0.00 4.22 -1.22 -4.78 114.94 116.21 3gkf s ASN 112 Ca 0.00 -0.57 0.04 0.00 -2.14 0.00 0.00 52.86 50.19 3gkf s ASN 112 Cb 0.00 -0.95 -0.05 0.00 1.28 0.00 0.00 41.25 41.53 3gkf s ASN 112 CO 0.00 -0.19 -0.02 -0.44 -2.04 0.00 0.00 177.10 174.40 3gkf s SER 113 N -3.84 1.93 0.00 3.54 0.01 -1.26 -4.43 113.70 109.64 3gkf s SER 113 Ca 0.36 -1.18 0.22 0.00 1.31 0.00 0.00 55.95 56.65 3gkf s SER 113 Cb -0.05 -0.01 1.19 0.00 0.21 0.00 0.00 66.02 67.36 3gkf s SER 113 CO 0.23 -0.47 1.68 2.30 0.41 0.00 0.00 173.24 177.40 3gkf n ILE 114 N -0.40 0.18 1.17 1.44 -5.35 -0.78 -2.57 119.36 113.04 3gkf n ILE 114 Ca -0.06 0.04 0.12 0.00 -0.27 0.00 0.00 62.75 62.59 3gkf n ILE 114 Cb 0.63 -0.70 0.26 0.00 -1.74 0.00 0.00 39.64 38.09 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 -1.14 1.31 0.00 7.28 4.77 -1.26 -4.95 117.00 123.00 3gkf n LEU 115 Ca 0.13 -0.40 -0.09 0.00 -0.03 0.00 0.00 56.01 55.62 3gkf n LEU 115 Cb 0.12 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3gkf n LEU 115 CO 0.14 0.25 -0.04 0.00 -1.33 0.00 0.00 177.39 176.40 3gkf n ALA 116 N -0.49 0.32 -1.67 -1.18 0.00 -1.06 -5.09 120.51 111.33 3gkf n ALA 116 Ca 0.11 -0.87 -0.48 0.00 0.00 0.00 0.00 53.44 52.20 3gkf n ALA 116 Cb 0.38 0.70 -0.05 0.00 0.00 0.00 0.00 19.45 20.48 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 -0.29 2.01 -0.29 0.00 4.07 -1.26 -4.71 120.64 120.17 3gkf n GLU 117 Ca 0.03 0.73 -0.04 0.00 -0.06 0.00 0.00 57.16 57.83 3gkf n GLU 117 Cb 0.27 -2.52 0.11 0.00 -0.06 0.00 0.00 31.44 29.24 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 7.50 1.07 0.00 4.31 5.85 -1.95 -2.93 115.31 129.15 3gkf h LEU 118 Ca -0.47 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.14 3gkf h LEU 118 Cb 1.27 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3gkf h LEU 118 CO 0.91 0.89 0.00 -1.54 -0.34 0.00 0.00 178.44 178.36 3gkf n SER 119 N -4.32 0.00 -4.28 1.25 3.41 -1.26 -4.56 113.62 103.85 3gkf n SER 119 Ca 0.08 -0.97 -0.43 0.00 -0.26 0.00 0.00 58.87 57.29 3gkf n SER 119 Cb 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 -0.97 4.62 -4.57 4.04 5.15 -1.11 -4.54 115.26 117.88 3gkf n ASN 120 Ca 0.21 -2.90 -0.27 0.00 -0.60 0.00 0.00 54.58 51.01 3gkf n ASN 120 Cb 0.10 -1.71 -0.09 0.00 -0.53 0.00 0.00 39.78 37.55 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 3.67 2.05 0.25 1.20 2.02 -1.26 -3.46 118.70 123.17 3gkf s GLU 121 Ca 0.51 -1.23 0.03 0.00 0.02 0.00 0.00 54.97 54.29 3gkf s GLU 121 Cb 0.07 -2.17 -0.05 0.00 0.10 0.00 0.00 34.13 32.07 3gkf s GLU 121 CO 0.02 0.45 0.04 0.00 0.02 0.00 0.00 175.26 175.79 3gkf s ALA 122 N -1.61 1.84 0.17 5.21 0.00 0.83 -4.71 121.76 123.49 3gkf s ALA 122 Ca 0.24 -1.83 -0.31 0.00 0.00 0.00 0.00 51.96 50.05 3gkf s ALA 122 Cb -0.09 0.71 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 3gkf s ALA 122 CO 0.15 -0.33 1.48 0.08 0.00 0.00 0.00 175.76 177.13 3gkf s VAL 123 N -3.53 2.84 -1.88 0.00 1.01 -1.26 -1.36 120.40 116.23 3gkf s VAL 123 Ca 0.32 0.63 0.15 0.00 0.00 0.00 0.00 61.98 63.09 3gkf s VAL 123 Cb 0.07 -3.40 0.15 0.00 0.00 0.00 0.00 36.38 33.20 3gkf s VAL 123 CO 0.11 0.06 1.02 0.00 0.00 0.00 0.00 175.10 176.29 3gkf n ALA 124 N 3.59 2.45 -3.48 5.51 0.00 0.26 -4.83 120.51 124.02 3gkf n ALA 124 Ca 0.11 -0.67 -0.13 0.00 0.00 0.00 0.00 53.44 52.76 3gkf n ALA 124 Cb 0.40 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.26 -0.53 0.41 0.00 0.05 -1.25 -4.91 118.68 111.18 3gkf s LEU 125 Ca 0.19 0.24 -0.21 0.00 0.05 0.00 0.00 54.13 54.41 3gkf s LEU 125 Cb 0.13 2.38 -0.11 0.00 -2.05 0.00 0.00 46.19 46.54 3gkf s LEU 125 CO 0.20 -0.73 0.93 -0.94 -0.55 0.00 0.00 176.35 175.25 3gkf s SER 126 N -2.09 6.95 0.49 1.48 1.04 -1.26 -4.89 113.70 115.43 3gkf s SER 126 Ca -0.02 1.66 0.18 0.00 0.48 0.00 0.00 55.95 58.24 3gkf s SER 126 Cb -0.01 -2.52 1.22 0.00 0.10 0.00 0.00 66.02 64.81 3gkf s SER 126 CO -0.04 -0.32 2.06 -0.03 0.98 0.00 0.00 173.24 175.88 3gkf h MET 127 N 2.04 0.14 -0.33 4.02 4.05 -1.97 -0.98 114.93 121.89 3gkf h MET 127 Ca -0.49 -0.01 0.07 0.00 -0.28 0.00 0.00 59.70 58.99 3gkf h MET 127 Cb 1.18 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.88 3gkf h MET 127 CO 0.62 0.09 -0.11 0.22 0.23 0.00 0.00 176.91 177.96 3gkf h ASP 128 N 0.14 -0.38 0.12 1.39 3.58 -1.98 0.26 116.42 119.55 3gkf h ASP 128 Ca 0.15 0.11 -0.14 0.00 0.42 0.00 0.00 57.03 57.57 3gkf h ASP 128 Cb 0.42 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 3gkf h ASP 128 CO -0.02 -0.14 -0.51 -0.78 -2.88 0.00 0.00 179.24 174.92 3gkf h ASP 129 N -0.03 0.48 -0.73 2.28 3.58 -1.58 -1.45 116.42 118.96 3gkf h ASP 129 Ca 0.16 -0.24 0.01 0.00 0.42 0.00 0.00 57.03 57.38 3gkf h ASP 129 Cb 0.28 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 3gkf h ASP 129 CO -0.36 0.91 0.48 0.00 -2.88 0.00 0.00 179.24 177.39 3gkf h ALA 130 N 1.11 0.93 -0.41 -0.78 0.00 -0.49 0.58 119.26 120.20 3gkf h ALA 130 Ca 0.01 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3gkf h ALA 130 Cb 1.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3gkf h ALA 130 CO 0.09 0.33 -0.27 0.28 0.00 0.00 0.00 179.25 179.68 3gkf h VAL 131 N 0.97 1.27 0.00 0.00 2.07 -0.50 -1.79 116.25 118.27 3gkf h VAL 131 Ca 0.27 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 3gkf h VAL 131 Cb -0.09 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3gkf h VAL 131 CO -0.07 0.48 -0.01 -0.09 0.02 0.00 0.00 177.57 177.90 3gkf h ARG 132 N 0.74 0.00 -0.50 1.57 2.43 -0.19 -1.64 114.38 116.80 3gkf h ARG 132 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3gkf h ARG 132 Cb 0.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3gkf h ARG 132 CO 0.07 0.01 0.00 1.28 -1.51 0.00 0.00 179.97 179.82 3gkf n LEU 133 N -4.27 3.11 -3.65 3.80 4.77 0.09 -4.95 117.00 115.90 3gkf n LEU 133 Ca -0.03 -1.48 -0.24 0.00 -0.03 0.00 0.00 56.01 54.23 3gkf n LEU 133 Cb 0.09 -0.33 0.07 0.00 -2.33 0.00 0.00 43.42 40.92 3gkf n LEU 133 CO 0.32 0.74 0.18 -3.20 -1.33 0.00 0.00 177.39 174.09 3gkf n ASN 134 N 1.22 -5.10 -4.78 -1.43 5.15 -0.62 -4.94 115.26 104.76 3gkf n ASN 134 Ca 0.20 -0.62 -0.33 0.00 -0.60 0.00 0.00 54.58 53.23 3gkf n ASN 134 Cb 0.52 -4.73 0.04 0.00 -0.53 0.00 0.00 39.78 35.08 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 -3.53 5.23 0.19 1.20 0.01 -0.72 -4.77 113.70 111.31 3gkf s SER 135 Ca 0.49 1.92 0.21 0.00 1.31 0.00 0.00 55.95 59.88 3gkf s SER 135 Cb -0.22 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 3gkf s SER 135 CO 0.76 -1.54 1.03 0.00 0.41 0.00 0.00 173.24 173.90 3gkf s ALA 137 N -3.28 -1.88 0.03 0.00 0.00 -1.22 -4.11 121.76 111.29 3gkf s ALA 137 Ca -0.01 0.71 0.08 0.00 0.00 0.00 0.00 51.96 52.75 3gkf s ALA 137 Cb 0.09 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 3gkf s ALA 137 CO 0.79 -0.88 -0.24 0.14 0.00 0.00 0.00 175.76 175.57 3gkf s VAL 138 N -2.94 1.94 0.03 0.00 -7.23 -0.80 -0.97 120.40 110.43 3gkf s VAL 138 Ca 0.10 -1.24 0.08 0.00 -1.81 0.00 0.00 61.98 59.11 3gkf s VAL 138 Cb 0.00 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 3gkf s VAL 138 CO -0.03 0.37 -0.23 0.00 -0.31 0.00 0.00 175.10 174.90 3gkf s ALA 139 N -0.74 1.93 0.10 1.32 0.00 0.16 -0.30 121.76 124.24 3gkf s ALA 139 Ca 0.10 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 3gkf s ALA 139 Cb -0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 3gkf s ALA 139 CO 0.01 0.45 0.19 0.00 0.00 0.00 0.00 175.76 176.42 3gkf s ALA 140 N -0.72 -0.14 -0.06 0.00 0.00 -0.46 0.88 121.76 121.27 3gkf s ALA 140 Ca 0.09 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 3gkf s ALA 140 Cb -0.09 0.54 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 3gkf s ALA 140 CO 0.01 -0.52 0.28 -0.65 0.00 0.00 0.00 175.76 174.87 3gkf s GLN 141 N -3.88 3.68 -0.01 0.00 -1.52 -1.26 -1.14 119.66 115.53 3gkf s GLN 141 Ca 0.07 0.14 0.03 0.00 -1.95 0.00 0.00 55.36 53.66 3gkf s GLN 141 Cb 0.05 -3.20 -0.03 0.00 -0.22 0.00 0.00 33.01 29.60 3gkf s GLN 141 CO -0.09 0.73 -0.09 0.54 -0.25 0.00 0.00 175.29 176.14 3gkf s VAL 142 N -1.06 3.48 -0.56 1.09 0.11 0.12 -4.76 120.40 118.82 3gkf s VAL 142 Ca 0.20 -0.78 0.07 0.00 -2.93 0.00 0.00 61.98 58.53 3gkf s VAL 142 Cb -0.14 -2.48 0.25 0.00 -1.53 0.00 0.00 36.38 32.47 3gkf s VAL 142 CO 0.09 0.44 0.67 -1.22 -3.33 0.00 0.00 175.10 171.74 3gkf n TYR 143 N 1.74 2.33 -1.74 1.54 4.01 -1.26 -0.79 117.16 122.98 3gkf n TYR 143 Ca -0.16 -3.96 -0.42 0.00 -0.16 0.00 0.00 57.90 53.20 3gkf n TYR 143 Cb 0.52 -0.48 -0.00 0.00 -0.31 0.00 0.00 39.34 39.07 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 1.07 1.90 0.00 -0.72 2.08 -1.26 -1.75 119.36 120.69 3gkf n ILE 144 Ca 0.27 -0.48 0.00 0.00 0.56 0.00 0.00 62.75 63.10 3gkf n ILE 144 Cb 0.45 -1.80 0.00 0.00 -0.75 0.00 0.00 39.64 37.54 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 0.74 2.82 3.94 7.39 0.00 -1.26 -4.94 105.19 113.89 3gkf n GLY 145 Ca 0.03 0.00 -0.25 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 -2.29 4.62 0.36 1.61 0.01 -0.71 -4.98 113.70 112.32 3gkf s SER 146 Ca 0.00 0.27 0.05 0.00 1.31 0.00 0.00 55.95 57.58 3gkf s SER 146 Cb 0.00 -0.85 0.67 0.00 0.21 0.00 0.00 66.02 66.05 3gkf s SER 146 CO 0.00 -1.70 1.93 -0.08 0.41 0.00 0.00 173.24 173.80 3gkf h GLU 147 N -0.62 0.55 -0.78 12.44 4.81 -1.94 -2.88 114.58 126.17 3gkf h GLU 147 Ca -0.43 -0.09 -0.52 0.00 -0.13 0.00 0.00 59.36 58.20 3gkf h GLU 147 Cb 1.30 -0.10 -0.30 0.00 0.63 0.00 0.00 28.75 30.28 3gkf h GLU 147 CO 0.54 0.50 0.08 0.66 -0.73 0.00 0.00 179.01 180.06 3gkf n TYR 148 N -4.34 2.60 -0.05 0.92 4.01 -1.26 -4.70 117.16 114.33 3gkf n TYR 148 Ca 0.02 -2.37 -0.00 0.00 -0.16 0.00 0.00 57.90 55.40 3gkf n TYR 148 Cb 0.18 -0.83 0.29 0.00 -0.31 0.00 0.00 39.34 38.67 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 1.77 0.65 0.55 -0.72 4.81 -1.64 -1.63 114.58 118.37 3gkf h GLU 149 Ca 0.45 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 3gkf h GLU 149 Cb 1.40 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.67 3gkf h GLU 149 CO 1.02 0.58 -0.26 1.25 -0.73 0.00 0.00 179.01 180.86 3gkf h HIS 150 N 0.63 -0.68 -0.72 0.92 2.76 -1.87 -2.37 115.15 113.82 3gkf h HIS 150 Ca 0.15 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.43 3gkf h HIS 150 Cb 0.21 0.23 -0.09 0.00 1.55 0.00 0.00 27.41 29.31 3gkf h HIS 150 CO 0.01 -0.37 0.29 0.37 -1.30 0.00 0.00 177.93 176.93 3gkf h GLN 151 N -0.89 0.43 -0.94 5.26 5.75 -1.91 -1.16 115.11 121.66 3gkf h GLN 151 Ca -0.08 -0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.49 3gkf h GLN 151 Cb 0.62 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 29.00 3gkf h GLN 151 CO 0.12 0.29 0.58 0.66 -2.65 0.00 0.00 178.83 177.83 3gkf h SER 152 N 0.45 0.88 -0.08 -0.69 4.64 -1.00 0.57 113.55 118.31 3gkf h SER 152 Ca 0.39 0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.54 3gkf h SER 152 Cb 0.55 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3gkf h SER 152 CO -0.38 0.51 -0.72 0.40 -0.87 0.00 0.00 176.83 175.78 3gkf h ILE 153 N 0.98 1.33 -1.00 0.95 2.04 -0.79 -2.47 117.51 118.55 3gkf h ILE 153 Ca 0.44 -2.00 0.18 0.00 1.00 0.00 0.00 64.86 64.48 3gkf h ILE 153 Cb 0.33 2.24 -0.10 0.00 -0.74 0.00 0.00 36.82 38.55 3gkf h ILE 153 CO -0.23 0.61 0.62 0.11 0.00 0.00 0.00 178.15 179.26 3gkf h LYS 154 N 0.27 0.75 -0.20 2.37 1.57 -0.74 0.22 116.57 120.81 3gkf h LYS 154 Ca -0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3gkf h LYS 154 Cb 1.37 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 3gkf h LYS 154 CO 0.15 0.50 0.13 -0.91 -0.57 0.00 0.00 179.45 178.74 3gkf h ASN 155 N 0.77 0.21 -0.48 0.86 2.35 -0.48 0.14 115.58 118.96 3gkf h ASN 155 Ca 0.57 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.33 3gkf h ASN 155 Cb 0.87 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 3gkf h ASN 155 CO -0.36 0.16 0.29 0.40 -1.65 0.00 0.00 177.43 176.27 3gkf h ILE 156 N 0.26 1.07 -0.25 2.81 1.08 -0.59 -2.07 117.51 119.82 3gkf h ILE 156 Ca 0.07 -0.20 0.04 0.00 -0.39 0.00 0.00 64.86 64.38 3gkf h ILE 156 Cb -0.02 0.43 -0.04 0.00 -3.07 0.00 0.00 36.82 34.11 3gkf h ILE 156 CO -0.02 0.11 -0.01 0.40 -0.69 0.00 0.00 178.15 177.94 3gkf h ILE 157 N 0.59 0.81 -0.91 -0.67 2.04 -0.05 -0.82 117.51 118.50 3gkf h ILE 157 Ca 0.19 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 3gkf h ILE 157 Cb -0.01 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3gkf h ILE 157 CO -0.08 0.01 0.52 -0.61 0.00 0.00 0.00 178.15 178.00 3gkf h GLN 158 N 0.07 1.26 -0.29 2.37 4.15 -0.54 0.38 115.11 122.51 3gkf h GLN 158 Ca 0.12 -0.13 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 3gkf h GLN 158 Cb 0.16 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 3gkf h GLN 158 CO -0.21 0.90 -0.19 -0.07 -1.93 0.00 0.00 178.83 177.34 3gkf h LEU 159 N 1.27 0.52 -0.17 -2.39 3.38 -0.62 -2.03 115.31 115.27 3gkf h LEU 159 Ca 0.32 -0.16 -0.23 0.00 0.09 0.00 0.00 57.88 57.91 3gkf h LEU 159 Cb -0.01 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.61 3gkf h LEU 159 CO -0.06 0.72 -0.82 0.58 0.09 0.00 0.00 178.44 178.96 3gkf h VAL 160 N 0.48 1.29 -0.85 1.22 2.07 -0.42 0.31 116.25 120.35 3gkf h VAL 160 Ca 0.08 -2.04 0.08 0.00 0.82 0.00 0.00 66.70 65.64 3gkf h VAL 160 Cb 0.59 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 32.36 3gkf h VAL 160 CO 0.04 0.64 0.51 0.44 0.02 0.00 0.00 177.57 179.22 3gkf h ASP 161 N 0.48 0.76 0.23 0.57 3.32 -0.67 -1.05 116.42 120.07 3gkf h ASP 161 Ca -0.06 0.03 -0.30 0.00 0.02 0.00 0.00 57.03 56.73 3gkf h ASP 161 Cb 1.44 -0.12 0.03 0.00 0.22 0.00 0.00 39.33 40.90 3gkf h ASP 161 CO 0.16 0.46 -1.25 0.00 -1.72 0.00 0.00 179.24 176.89 3gkf h ALA 162 N 1.43 0.02 -0.25 3.45 0.00 -1.05 -3.26 119.26 119.61 3gkf h ALA 162 Ca 0.39 -0.79 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 3gkf h ALA 162 Cb 0.28 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3gkf h ALA 162 CO -0.21 0.74 -0.24 0.78 0.00 0.00 0.00 179.25 180.32 3gkf h GLY 163 N 0.53 0.50 1.89 0.00 0.00 0.05 -2.55 103.07 103.50 3gkf h GLY 163 Ca -0.18 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.66 3gkf h GLY 163 CO 0.23 0.37 -0.36 -0.33 0.00 0.00 0.00 176.54 176.45 3gkf h MET 164 N 0.41 0.13 0.00 4.80 2.07 -1.26 0.50 114.93 121.59 3gkf h MET 164 Ca 0.06 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.63 3gkf h MET 164 Cb 0.64 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.36 3gkf h MET 164 CO 0.05 0.48 -0.07 0.87 1.07 0.00 0.00 176.91 179.30 3gkf h LYS 165 N 0.11 0.00 0.00 1.72 1.57 -1.49 -3.33 116.57 115.15 3gkf h LYS 165 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3gkf h LYS 165 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3gkf h LYS 165 CO 0.05 0.07 0.00 1.55 -0.57 0.00 0.00 179.45 180.55 3gkf n VAL 166 N -4.09 0.00 -0.66 0.50 3.14 -0.21 -5.01 118.33 112.01 3gkf n VAL 166 Ca -0.03 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 3gkf n VAL 166 Cb 0.16 1.21 0.00 0.00 -1.06 0.00 0.00 33.84 34.15 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 0.20 0.61 3.53 7.55 0.00 0.16 -4.96 105.19 112.28 3gkf n GLY 167 Ca 0.00 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.10 3.57 0.63 1.61 0.00 -0.17 -3.84 119.30 120.00 3gkf s MET 168 Ca 0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 55.69 54.93 3gkf s MET 168 Cb 0.00 -3.76 -0.02 0.00 0.00 0.00 0.00 34.83 31.06 3gkf s MET 168 CO 0.00 -0.39 1.16 -2.14 0.00 0.00 0.00 175.02 173.65 3gkf s PRO 169 N 1.72 2.84 -0.08 4.11 0.02 -1.26 -4.36 135.00 137.99 3gkf s PRO 169 Ca 0.06 1.64 0.05 0.00 0.02 0.00 0.00 61.00 62.76 3gkf s PRO 169 Cb -0.17 -1.93 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 3gkf s PRO 169 CO 0.10 -1.26 -0.23 0.99 -0.33 0.00 0.00 177.00 176.27 3gkf s THR 170 N -1.93 2.24 -0.21 0.99 2.01 -1.26 -1.91 115.64 115.57 3gkf s THR 170 Ca 0.73 -0.98 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 3gkf s THR 170 Cb -0.26 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 3gkf s THR 170 CO 0.37 0.56 0.07 -0.32 -0.69 0.00 0.00 174.62 174.61 3gkf s MET 171 N 0.02 3.82 -0.21 4.92 1.75 0.59 -0.58 119.30 129.61 3gkf s MET 171 Ca -0.08 -0.41 -0.09 0.00 -1.25 0.00 0.00 55.69 53.86 3gkf s MET 171 Cb -0.15 -3.27 -0.05 0.00 2.84 0.00 0.00 34.83 34.20 3gkf s MET 171 CO 0.05 0.05 0.11 0.00 -0.65 0.00 0.00 175.02 174.59 3gkf s ALA 172 N 0.98 3.53 -0.13 4.11 0.00 -0.22 -1.35 121.76 128.69 3gkf s ALA 172 Ca 0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 3gkf s ALA 172 Cb -0.14 -2.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 3gkf s ALA 172 CO 0.03 -0.00 -0.03 0.08 0.00 0.00 0.00 175.76 175.83 3gkf s VAL 173 N 0.69 3.96 -0.48 0.00 1.01 -0.29 -0.58 120.40 124.71 3gkf s VAL 173 Ca 0.06 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 3gkf s VAL 173 Cb -0.13 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.59 3gkf s VAL 173 CO 0.01 0.53 0.73 0.42 0.00 0.00 0.00 175.10 176.79 3gkf s THR 174 N -0.08 4.71 0.16 3.92 -4.23 -0.75 0.16 115.64 119.53 3gkf s THR 174 Ca 0.02 0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 60.57 3gkf s THR 174 Cb -0.13 -4.32 -0.05 0.00 1.34 0.00 0.00 72.50 69.34 3gkf s THR 174 CO 0.02 -0.77 0.37 -0.83 -0.54 0.00 0.00 174.62 172.87 3gkf s GLY 175 N 2.36 2.11 0.00 3.99 0.00 0.03 -4.83 107.32 110.97 3gkf s GLY 175 Ca 0.24 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.31 3gkf s GLY 175 CO 0.18 -0.58 0.00 -0.62 0.00 0.00 0.00 173.10 172.08 3gkf n VAL 176 N -0.13 0.00 -2.39 1.40 0.31 -1.26 -4.41 118.33 111.85 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 0.05 0.00 -0.91 0.00 0.00 33.84 33.50 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 0.73 -4.34 5.55 0.63 -1.26 -5.06 116.66 112.91 3gkf n ARG 182 Ca 0.00 -0.92 -0.30 0.00 -0.92 0.00 0.00 57.85 55.70 3gkf n ARG 182 Cb 0.00 0.40 -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 -0.88 4.39 0.10 6.15 -4.77 -1.26 -4.97 116.67 115.42 3gkf s ASP 183 Ca 0.05 -1.49 -0.27 0.00 -3.30 0.00 0.00 52.55 47.53 3gkf s ASP 183 Cb 0.24 0.59 -0.12 0.00 -1.09 0.00 0.00 42.92 42.54 3gkf s ASP 183 CO -0.07 -1.03 1.66 -0.61 0.70 0.00 0.00 175.17 175.82 3gkf h GLN 184 N 1.00 -0.45 -0.98 2.11 -0.00 -1.92 -2.02 115.11 112.85 3gkf h GLN 184 Ca -0.40 0.03 0.20 0.00 -0.00 0.00 0.00 58.65 58.48 3gkf h GLN 184 Cb 1.32 0.10 -0.11 0.00 0.00 0.00 0.00 27.48 28.79 3gkf h GLN 184 CO 0.65 -0.30 0.57 0.07 0.00 0.00 0.00 178.83 179.82 3gkf h ARG 185 N -0.47 0.64 0.50 1.69 0.11 -1.94 0.23 114.38 115.14 3gkf h ARG 185 Ca 0.00 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 3gkf h ARG 185 Cb 0.44 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.38 3gkf h ARG 185 CO -0.06 0.43 -0.24 -0.92 0.10 0.00 0.00 179.97 179.28 3gkf h TYR 186 N 0.66 -0.62 0.00 4.08 3.20 -1.79 -2.45 116.97 120.05 3gkf h TYR 186 Ca 0.59 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.42 3gkf h TYR 186 Cb 0.99 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.46 3gkf h TYR 186 CO -0.03 -0.32 -0.08 0.74 -1.64 0.00 0.00 178.16 176.83 3gkf h PHE 187 N -0.83 0.00 -0.02 -3.82 0.04 -0.52 -1.36 116.94 110.43 3gkf h PHE 187 Ca -0.07 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 3gkf h PHE 187 Cb 0.58 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.73 3gkf h PHE 187 CO -0.01 0.08 0.01 0.77 -0.60 0.00 0.00 178.31 178.56 3gkf h SER 188 N 0.00 0.03 0.14 2.17 0.02 -0.43 0.12 113.55 115.60 3gkf h SER 188 Ca -0.00 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3gkf h SER 188 Cb 0.22 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 3gkf h SER 188 CO 0.01 0.16 -0.22 0.25 -1.14 0.00 0.00 176.83 175.88 3gkf h LEU 189 N -0.10 -0.62 0.18 5.07 5.85 -0.82 -0.91 115.31 123.95 3gkf h LEU 189 Ca 0.01 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3gkf h LEU 189 Cb 0.14 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3gkf h LEU 189 CO -0.00 -0.32 -0.09 0.00 -0.34 0.00 0.00 178.44 177.70 3gkf h ALA 190 N 0.33 -0.24 -0.54 1.25 0.00 -1.20 -1.47 119.26 117.39 3gkf h ALA 190 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3gkf h ALA 190 Cb 0.44 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3gkf h ALA 190 CO -0.11 -0.62 0.29 1.79 0.00 0.00 0.00 179.25 180.60 3gkf h THR 191 N -0.28 1.19 -0.44 0.00 1.35 -0.72 -2.52 112.91 111.48 3gkf h THR 191 Ca -0.02 -0.50 -0.06 0.00 -0.55 0.00 0.00 66.41 65.28 3gkf h THR 191 Cb 0.22 0.53 -0.02 0.00 -1.73 0.00 0.00 68.15 67.15 3gkf h THR 191 CO 0.04 0.21 0.03 -0.09 -0.25 0.00 0.00 175.52 175.46 3gkf h ARG 192 N 0.73 0.76 -0.48 4.72 9.65 -1.03 0.20 114.38 128.94 3gkf h ARG 192 Ca 0.19 -0.23 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 3gkf h ARG 192 Cb 0.07 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 3gkf h ARG 192 CO -0.03 0.81 0.28 0.82 2.80 0.00 0.00 179.97 184.65 3gkf h ILE 193 N 0.61 1.16 -0.10 1.20 2.04 -1.18 0.79 117.51 122.03 3gkf h ILE 193 Ca 0.13 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 3gkf h ILE 193 Cb 0.45 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3gkf h ILE 193 CO 0.02 0.16 0.06 0.00 0.00 0.00 0.00 178.15 178.38 3gkf h ALA 194 N 1.12 0.12 -0.84 1.87 0.00 -1.21 0.15 119.26 120.48 3gkf h ALA 194 Ca 0.17 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3gkf h ALA 194 Cb 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3gkf h ALA 194 CO -0.03 -0.36 0.55 0.00 0.00 0.00 0.00 179.25 179.41 3gkf h ALA 195 N 0.99 1.08 -0.41 0.00 0.00 -0.66 -2.04 119.26 118.22 3gkf h ALA 195 Ca 0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3gkf h ALA 195 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3gkf h ALA 195 CO -0.01 0.43 -0.09 1.49 0.00 0.00 0.00 179.25 181.08 3gkf h GLU 196 N 1.10 0.78 -0.45 0.00 4.57 -0.53 -1.30 114.58 118.76 3gkf h GLU 196 Ca 0.32 -0.29 0.07 0.00 -1.18 0.00 0.00 59.36 58.28 3gkf h GLU 196 Cb -0.08 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 3gkf h GLU 196 CO -0.09 0.90 0.30 0.52 -1.18 0.00 0.00 179.01 179.47 3gkf h MET 197 N 0.60 0.29 0.00 1.92 2.86 -0.02 -3.45 114.93 117.13 3gkf h MET 197 Ca 0.11 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3gkf h MET 197 Cb 0.61 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3gkf h MET 197 CO 0.04 0.19 0.00 0.41 1.06 0.00 0.00 176.91 178.61 3gkf n GLY 198 N -1.53 -0.95 3.75 8.32 0.00 -0.49 -4.94 105.19 109.34 3gkf n GLY 198 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 3.59 -0.06 4.61 0.00 -1.02 -4.84 121.76 124.04 3gkf s ALA 199 Ca 0.00 1.29 0.14 0.00 0.00 0.00 0.00 51.96 53.38 3gkf s ALA 199 Cb 0.00 -3.53 -0.15 0.00 0.00 0.00 0.00 23.12 19.44 3gkf s ALA 199 CO 0.00 -0.70 0.95 1.96 0.00 0.00 0.00 175.76 177.97 3gkf h GLN 200 N 4.80 0.00 -5.64 0.00 7.50 -1.18 -3.42 115.11 117.18 3gkf h GLN 200 Ca -0.46 0.00 -0.58 0.00 0.50 0.00 0.00 58.65 58.11 3gkf h GLN 200 Cb 1.22 0.00 -0.30 0.00 0.05 0.00 0.00 27.48 28.45 3gkf h GLN 200 CO 0.76 0.51 -0.84 0.42 -1.50 0.00 0.00 178.83 178.17 3gkf s ILE 201 N -2.79 1.51 -0.08 2.54 1.01 -0.82 -3.85 121.20 118.72 3gkf s ILE 201 Ca -0.02 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.87 3gkf s ILE 201 Cb 0.09 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 3gkf s ILE 201 CO 0.81 0.43 -0.17 -0.63 0.00 0.00 0.00 174.94 175.38 3gkf s ILE 202 N -0.23 2.79 -0.07 2.92 -1.09 -0.35 -1.06 121.20 124.11 3gkf s ILE 202 Ca 0.02 -0.79 0.05 0.00 -2.23 0.00 0.00 60.65 57.71 3gkf s ILE 202 Cb -0.09 -2.11 -0.01 0.00 -1.58 0.00 0.00 42.46 38.67 3gkf s ILE 202 CO 0.01 0.56 -0.24 -0.75 -1.23 0.00 0.00 174.94 173.28 3gkf s LYS 203 N -0.16 2.68 0.28 2.79 2.20 0.25 -0.49 119.74 127.28 3gkf s LYS 203 Ca -0.01 -0.89 -0.08 0.00 -0.36 0.00 0.00 55.97 54.62 3gkf s LYS 203 Cb -0.14 -2.20 0.03 0.00 -1.51 0.00 0.00 37.83 34.01 3gkf s LYS 203 CO 0.03 0.34 0.51 -2.37 -0.36 0.00 0.00 175.35 173.51 3gkf n THR 204 N 3.07 0.00 -3.86 3.43 5.66 0.13 -1.81 114.28 120.90 3gkf n THR 204 Ca -0.18 -0.90 -0.29 0.00 -3.05 0.00 0.00 64.05 59.63 3gkf n THR 204 Cb 0.52 0.75 -0.04 0.00 -1.55 0.00 0.00 70.33 70.01 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 -3.86 3.50 0.43 1.09 2.02 -1.26 0.18 117.35 119.44 3gkf s TYR 205 Ca 0.15 0.27 -0.22 0.00 -0.37 0.00 0.00 57.07 56.90 3gkf s TYR 205 Cb -0.03 -1.78 -0.10 0.00 -0.40 0.00 0.00 41.96 39.65 3gkf s TYR 205 CO 0.11 0.52 0.97 -0.47 -1.57 0.00 0.00 175.55 175.10 3gkf s TYR 206 N -1.65 3.30 -0.05 2.71 5.04 -1.26 -4.94 117.35 120.50 3gkf s TYR 206 Ca 0.36 1.63 0.02 0.00 -2.44 0.00 0.00 57.07 56.64 3gkf s TYR 206 Cb -0.12 -2.90 0.01 0.00 0.35 0.00 0.00 41.96 39.30 3gkf s TYR 206 CO 0.28 -0.21 -0.08 0.08 -1.34 0.00 0.00 175.55 174.28 3gkf s VAL 207 N -2.06 0.82 0.35 3.14 1.01 -1.26 -5.03 120.40 117.37 3gkf s VAL 207 Ca 0.61 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.38 3gkf s VAL 207 Cb -0.12 -0.78 0.10 0.00 0.00 0.00 0.00 36.38 35.58 3gkf s VAL 207 CO 0.16 0.28 1.82 -0.33 0.00 0.00 0.00 175.10 177.02 3gkf h GLU 208 N 6.92 0.14 -5.05 2.72 5.08 -1.97 -3.34 114.58 119.09 3gkf h GLU 208 Ca -0.34 -0.05 -0.67 0.00 -1.00 0.00 0.00 59.36 57.30 3gkf h GLU 208 Cb 1.17 -0.01 -0.34 0.00 0.50 0.00 0.00 28.75 30.07 3gkf h GLU 208 CO 0.48 0.44 -0.84 0.21 -1.00 0.00 0.00 179.01 178.30 3gkf s LYS 209 N -4.33 3.04 0.00 2.33 2.20 -1.26 -4.79 119.74 116.93 3gkf s LYS 209 Ca -0.04 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 3gkf s LYS 209 Cb 0.14 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.83 3gkf s LYS 209 CO 0.74 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.93 3gkf n GLY 210 N 4.64 0.84 0.37 5.54 0.00 -1.26 -4.42 105.19 110.90 3gkf n GLY 210 Ca -0.21 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 0.46 -1.00 1.61 3.57 -1.87 -0.88 116.94 118.83 3gkf h PHE 211 Ca 0.00 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.59 3gkf h PHE 211 Cb 0.00 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.52 3gkf h PHE 211 CO 0.00 0.20 0.64 0.93 -2.23 0.00 0.00 178.31 177.85 3gkf h GLU 212 N 0.41 1.10 -0.37 1.11 5.08 -1.92 -0.10 114.58 119.90 3gkf h GLU 212 Ca 0.32 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 3gkf h GLU 212 Cb 0.70 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3gkf h GLU 212 CO -0.10 0.73 -0.08 0.00 -1.00 0.00 0.00 179.01 178.56 3gkf h ARG 213 N 1.13 0.62 0.08 2.33 3.08 -1.54 0.12 114.38 120.21 3gkf h ARG 213 Ca 0.45 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 3gkf h ARG 213 Cb 0.23 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3gkf h ARG 213 CO -0.19 0.70 -0.04 0.82 -1.07 0.00 0.00 179.97 180.19 3gkf h ILE 214 N 0.58 1.07 -0.18 2.04 2.04 -0.97 0.41 117.51 122.50 3gkf h ILE 214 Ca 0.11 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 3gkf h ILE 214 Cb 0.49 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 3gkf h ILE 214 CO 0.03 0.13 0.11 0.58 0.00 0.00 0.00 178.15 179.00 3gkf h VAL 215 N -0.35 1.08 -0.64 1.67 2.07 -1.13 -2.07 116.25 116.88 3gkf h VAL 215 Ca -0.01 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3gkf h VAL 215 Cb 0.30 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3gkf h VAL 215 CO 0.02 0.07 0.35 0.00 0.02 0.00 0.00 177.57 178.03 3gkf h ALA 216 N 1.02 1.42 0.00 1.67 0.00 -0.65 -1.81 119.26 120.91 3gkf h ALA 216 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gkf h ALA 216 Cb 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3gkf h ALA 216 CO -0.01 0.48 0.00 0.78 0.00 0.00 0.00 179.25 180.50 3gkf h GLY 217 N 0.94 0.00 -6.08 0.00 0.00 -0.66 -3.43 103.07 93.84 3gkf h GLY 217 Ca 0.23 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.96 3gkf h GLY 217 CO -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 176.39 3gkf n PRO 219 N 4.40 1.43 -4.24 0.00 -0.04 -1.26 -4.88 135.00 130.41 3gkf n PRO 219 Ca -0.06 -0.63 -0.13 0.00 -0.04 0.00 0.00 63.50 62.63 3gkf n PRO 219 Cb 0.51 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.93 0.53 0.45 0.52 -7.23 -1.26 -3.49 120.40 107.99 3gkf s VAL 220 Ca 0.36 -1.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.31 3gkf s VAL 220 Cb 0.18 -2.20 -0.09 0.00 0.56 0.00 0.00 36.38 34.83 3gkf s VAL 220 CO 0.29 -0.38 1.27 -2.65 -0.31 0.00 0.00 175.10 173.32 3gkf n PRO 221 N -0.25 1.87 -5.14 4.82 -0.02 -1.24 -4.77 135.00 130.26 3gkf n PRO 221 Ca -0.05 0.67 -0.32 0.00 -2.02 0.00 0.00 63.50 61.78 3gkf n PRO 221 Cb 0.64 -2.41 -0.16 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.23 2.35 0.04 4.25 1.01 -1.26 -1.21 121.20 125.15 3gkf s ILE 222 Ca 0.63 -0.96 0.09 0.00 0.00 0.00 0.00 60.65 60.41 3gkf s ILE 222 Cb -0.49 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 3gkf s ILE 222 CO 0.56 0.57 -0.26 -0.69 0.00 0.00 0.00 174.94 175.12 3gkf s VAL 223 N -0.17 2.19 -0.05 2.92 1.01 0.35 0.35 120.40 127.00 3gkf s VAL 223 Ca -0.03 -1.37 0.01 0.00 0.00 0.00 0.00 61.98 60.59 3gkf s VAL 223 Cb -0.14 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 3gkf s VAL 223 CO 0.04 0.37 -0.05 0.27 0.00 0.00 0.00 175.10 175.73 3gkf s ILE 224 N -0.81 3.85 0.25 2.22 -4.36 -0.92 0.21 121.20 121.63 3gkf s ILE 224 Ca 0.12 -0.51 -0.12 0.00 -0.26 0.00 0.00 60.65 59.88 3gkf s ILE 224 Cb -0.10 -2.62 -0.08 0.00 1.25 0.00 0.00 42.46 40.91 3gkf s ILE 224 CO 0.02 0.53 0.61 0.00 0.24 0.00 0.00 174.94 176.35 3gkf s ALA 225 N -0.89 3.49 0.10 2.27 0.00 0.13 0.10 121.76 126.96 3gkf s ALA 225 Ca 0.14 -0.15 -0.14 0.00 0.00 0.00 0.00 51.96 51.82 3gkf s ALA 225 Cb -0.11 -2.56 -0.12 0.00 0.00 0.00 0.00 23.12 20.33 3gkf s ALA 225 CO 0.04 0.44 1.36 0.78 0.00 0.00 0.00 175.76 178.38 3gkf h GLY 226 N 2.61 0.83 0.00 0.00 0.00 -0.32 -3.40 103.07 102.79 3gkf h GLY 226 Ca -0.47 -1.01 0.00 0.00 0.00 0.00 0.00 47.33 45.84 3gkf h GLY 226 CO 0.67 0.91 0.00 0.61 0.00 0.00 0.00 176.54 178.73 3gkf n GLY 227 N 0.44 -1.28 3.73 4.60 0.00 -1.26 -4.92 105.19 106.50 3gkf n GLY 227 Ca -0.05 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 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 2.40 0.31 1.61 -2.85 -1.26 -4.45 119.74 115.51 3gkf s LYS 228 Ca 0.00 1.89 -0.29 0.00 -1.00 0.00 0.00 55.97 56.57 3gkf s LYS 228 Cb 0.00 -1.85 -0.12 0.00 -2.06 0.00 0.00 37.83 33.80 3gkf s LYS 228 CO 0.00 -1.67 1.52 1.17 0.10 0.00 0.00 175.35 176.48 3gkf n LYS 229 N -2.25 2.58 -4.41 1.78 3.00 -1.26 -4.84 118.16 112.76 3gkf n LYS 229 Ca 0.14 0.91 -0.20 0.00 -0.00 0.00 0.00 58.31 59.16 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 -0.86 2.39 0.37 3.14 1.43 -1.26 -5.05 118.68 118.84 3gkf s LEU 230 Ca 0.61 -1.22 -0.28 0.00 -1.03 0.00 0.00 54.13 52.21 3gkf s LEU 230 Cb -0.51 -0.52 -0.11 0.00 0.03 0.00 0.00 46.19 45.07 3gkf s LEU 230 CO 0.54 -0.42 1.51 -2.16 0.23 0.00 0.00 176.35 176.05 3gkf s PRO 231 N -3.78 4.09 0.19 1.29 0.04 -1.26 -4.78 135.00 130.80 3gkf s PRO 231 Ca 0.30 2.60 -0.14 0.00 0.04 0.00 0.00 61.00 63.79 3gkf s PRO 231 Cb 0.05 -2.97 0.18 0.00 0.04 0.00 0.00 34.50 31.80 3gkf s PRO 231 CO 0.12 -0.56 1.67 0.93 0.04 0.00 0.00 177.00 179.19 3gkf h GLU 232 N 3.12 0.06 -0.84 4.56 3.07 -1.99 0.12 114.58 122.68 3gkf h GLU 232 Ca -0.51 -0.00 0.21 0.00 -0.50 0.00 0.00 59.36 58.56 3gkf h GLU 232 Cb 1.24 -0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 29.01 3gkf h GLU 232 CO 0.65 0.04 0.27 -0.09 -1.40 0.00 0.00 179.01 178.48 3gkf h ARG 233 N 0.07 0.28 -0.14 2.33 1.12 -1.98 0.16 114.38 116.22 3gkf h ARG 233 Ca 0.25 -0.02 -0.19 0.00 -1.11 0.00 0.00 59.98 58.91 3gkf h ARG 233 Cb 0.38 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.28 3gkf h ARG 233 CO -0.45 0.19 -0.70 0.93 -3.11 0.00 0.00 179.97 176.83 3gkf h GLU 234 N 0.29 0.60 -0.32 0.20 5.08 -1.15 -1.99 114.58 117.29 3gkf h GLU 234 Ca 0.51 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3gkf h GLU 234 Cb 0.97 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3gkf h GLU 234 CO -0.57 1.08 0.12 0.00 -1.00 0.00 0.00 179.01 178.64 3gkf h ALA 235 N 0.80 0.42 -0.59 3.43 0.00 -0.27 -1.80 119.26 121.25 3gkf h ALA 235 Ca -0.03 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3gkf h ALA 235 Cb 1.29 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 3gkf h ALA 235 CO 0.13 0.02 0.33 -0.07 0.00 0.00 0.00 179.25 179.66 3gkf h LEU 236 N 0.37 0.50 -0.83 0.00 3.38 -0.69 0.13 115.31 118.16 3gkf h LEU 236 Ca 0.11 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3gkf h LEU 236 Cb 0.19 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3gkf h LEU 236 CO -0.01 0.34 0.55 -0.08 0.09 0.00 0.00 178.44 179.32 3gkf h GLU 237 N 0.63 1.07 -0.27 1.13 4.22 -1.14 0.39 114.58 120.60 3gkf h GLU 237 Ca 0.26 -0.06 0.01 0.00 0.08 0.00 0.00 59.36 59.64 3gkf h GLU 237 Cb 0.12 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3gkf h GLU 237 CO -0.15 0.71 0.15 1.98 -2.18 0.00 0.00 179.01 179.51 3gkf h MET 238 N 1.10 0.30 0.09 1.92 4.05 -0.44 0.88 114.93 122.84 3gkf h MET 238 Ca 0.32 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.74 3gkf h MET 238 Cb -0.08 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.61 3gkf h MET 238 CO -0.08 0.20 -0.33 0.00 0.23 0.00 0.00 176.91 176.92 3gkf h TRP 240 N -0.54 0.84 -0.29 0.00 7.01 0.21 -0.72 115.95 122.46 3gkf h TRP 240 Ca 0.04 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.00 3gkf h TRP 240 Cb 0.59 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 3gkf h TRP 240 CO -0.31 0.34 -0.08 1.96 -2.79 0.00 0.00 178.44 177.56 3gkf h GLN 241 N 0.78 0.56 0.16 2.65 1.08 -0.40 0.17 115.11 120.10 3gkf h GLN 241 Ca 0.39 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3gkf h GLN 241 Cb 0.36 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 3gkf h GLN 241 CO -0.25 0.77 -0.15 0.00 -0.95 0.00 0.00 178.83 178.25 3gkf h ALA 242 N 0.78 -0.30 -0.10 3.87 0.00 0.26 0.59 119.26 124.35 3gkf h ALA 242 Ca 0.07 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3gkf h ALA 242 Cb 0.57 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3gkf h ALA 242 CO 0.03 -0.69 -0.04 0.82 0.00 0.00 0.00 179.25 179.38 3gkf h ILE 243 N -0.33 0.86 -0.67 0.00 1.08 -1.14 -1.47 117.51 115.85 3gkf h ILE 243 Ca 0.00 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.61 3gkf h ILE 243 Cb 0.31 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 34.88 3gkf h ILE 243 CO -0.03 0.00 0.46 -0.78 -0.69 0.00 0.00 178.15 177.11 3gkf h ASP 244 N -0.02 0.28 -0.50 1.72 3.58 -0.69 0.10 116.42 120.89 3gkf h ASP 244 Ca 0.05 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.52 3gkf h ASP 244 Cb 0.10 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.11 3gkf h ASP 244 CO -0.12 0.15 0.00 0.00 -2.88 0.00 0.00 179.24 176.39 3gkf n GLN 245 N -4.45 3.06 0.00 0.28 6.02 0.18 -4.91 117.38 117.55 3gkf n GLN 245 Ca 0.12 -2.17 0.00 0.00 -0.01 0.00 0.00 57.00 54.95 3gkf n GLN 245 Cb 0.53 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 30.06 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 0.95 1.01 3.76 1.08 0.00 0.35 -4.60 105.19 107.74 3gkf n GLY 246 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 2.50 -1.62 4.61 0.00 -0.74 -4.84 121.76 119.68 3gkf s ALA 247 Ca 0.00 0.85 0.21 0.00 0.00 0.00 0.00 51.96 53.02 3gkf s ALA 247 Cb 0.00 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 3gkf s ALA 247 CO 0.00 -1.19 0.98 0.43 0.00 0.00 0.00 175.76 175.97 3gkf n SER 248 N -1.85 1.64 -3.61 0.00 7.64 0.15 -4.63 113.62 112.97 3gkf n SER 248 Ca 0.12 -1.32 -0.02 0.00 1.01 0.00 0.00 58.87 58.67 3gkf n SER 248 Cb 0.50 0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 64.33 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 -2.50 -0.35 0.04 0.23 0.00 -1.15 -0.91 107.32 102.69 3gkf s GLY 249 Ca 0.14 1.13 0.06 0.00 0.00 0.00 0.00 44.72 46.05 3gkf s GLY 249 CO 0.62 0.32 -0.16 -1.34 0.00 0.00 0.00 173.10 172.54 3gkf s VAL 250 N -2.45 1.27 -0.25 1.40 -7.23 -0.98 -2.17 120.40 109.99 3gkf s VAL 250 Ca 0.12 -1.09 0.03 0.00 -1.81 0.00 0.00 61.98 59.23 3gkf s VAL 250 Cb 0.02 -1.14 0.06 0.00 0.56 0.00 0.00 36.38 35.87 3gkf s VAL 250 CO -0.04 0.04 -0.12 -0.62 -0.31 0.00 0.00 175.10 174.05 3gkf s ASP 251 N -1.21 4.32 -0.49 4.85 2.15 0.28 -1.71 116.67 124.86 3gkf s ASP 251 Ca 0.03 -1.33 -0.17 0.00 0.43 0.00 0.00 52.55 51.51 3gkf s ASP 251 Cb -0.08 -1.54 0.07 0.00 -0.30 0.00 0.00 42.92 41.07 3gkf s ASP 251 CO 0.02 -0.17 0.48 -0.04 -0.17 0.00 0.00 175.17 175.28 3gkf s MET 252 N 1.12 3.02 0.00 4.34 -1.94 -1.25 0.47 119.30 125.06 3gkf s MET 252 Ca -0.08 -1.23 0.00 0.00 -1.71 0.00 0.00 55.69 52.67 3gkf s MET 252 Cb -0.19 -4.14 0.00 0.00 2.01 0.00 0.00 34.83 32.51 3gkf s MET 252 CO -0.06 -1.12 0.00 0.41 -0.01 0.00 0.00 175.02 174.24 3gkf n GLY 253 N 5.20 1.65 0.35 -0.03 0.00 -1.26 -3.93 105.19 107.17 3gkf n GLY 253 Ca -0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 0.70 0.00 1.61 -0.00 -1.89 0.75 114.38 115.55 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 -0.16 0.00 0.00 0.00 0.00 0.00 29.97 29.81 3gkf h ARG 254 CO 0.00 0.46 0.00 0.09 0.00 0.00 0.00 179.97 180.52 3gkf n ASN 255 N -4.79 0.00 -0.00 7.04 3.02 -1.26 -1.11 115.26 118.16 3gkf n ASN 255 Ca 0.24 0.34 -0.02 0.00 -0.03 0.00 0.00 54.58 55.11 3gkf n ASN 255 Cb 0.62 -0.38 -0.01 0.00 -0.61 0.00 0.00 39.78 39.40 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 -1.38 0.71 0.31 2.41 5.41 0.26 -4.31 119.36 122.77 3gkf n ILE 256 Ca 0.02 0.25 0.18 0.00 1.00 0.00 0.00 62.75 64.21 3gkf n ILE 256 Cb 0.06 -1.57 0.99 0.00 -0.71 0.00 0.00 39.64 38.41 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 -0.21 0.00 0.00 1.39 -5.15 -1.41 -1.51 116.94 110.05 3gkf h PHE 257 Ca 0.00 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.66 3gkf h PHE 257 Cb 0.21 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.36 3gkf h PHE 257 CO -0.09 0.02 -1.20 1.96 -2.00 0.00 0.00 178.31 177.00 3gkf h GLN 258 N 0.00 0.00 -6.98 6.09 4.20 -1.34 -3.47 115.11 113.62 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 0.13 0.00 0.16 0.00 0.30 0.00 0.00 27.48 28.07 3gkf h GLN 258 CO 0.00 0.22 0.33 0.45 -0.67 0.00 0.00 178.83 179.17 3gkf n SER 259 N -2.86 1.48 0.23 1.46 2.88 -0.57 -4.87 113.62 111.38 3gkf n SER 259 Ca -0.06 0.82 0.11 0.00 -1.33 0.00 0.00 58.87 58.41 3gkf n SER 259 Cb 0.75 -1.48 0.53 0.00 -0.75 0.00 0.00 64.21 63.26 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 0.53 0.00 -2.14 -3.46 3.32 -1.91 -3.30 116.42 109.45 3gkf h ASP 260 Ca -0.50 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.96 3gkf h ASP 260 Cb 1.35 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.49 3gkf h ASP 260 CO 0.52 0.20 -0.73 1.41 -1.72 0.00 0.00 179.24 178.91 3gkf n HIS 261 N -3.43 2.60 0.21 4.55 8.25 -1.26 -4.99 115.22 121.15 3gkf n HIS 261 Ca -0.00 -3.99 -0.17 0.00 -0.26 0.00 0.00 57.72 53.29 3gkf n HIS 261 Cb 0.38 -0.50 -0.09 0.00 1.12 0.00 0.00 29.99 30.90 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 4.05 -0.83 -0.81 -0.41 0.11 -1.77 -1.94 132.00 130.40 3gkf h PRO 262 Ca 0.16 0.06 0.11 0.00 0.11 0.00 0.00 66.00 66.44 3gkf h PRO 262 Cb 0.71 0.19 -0.08 0.00 0.11 0.00 0.00 31.00 31.94 3gkf h PRO 262 CO 0.74 -0.56 0.44 0.28 -0.21 0.00 0.00 178.00 178.69 3gkf h VAL 263 N -0.86 0.85 -0.73 3.15 2.07 -1.94 0.14 116.25 118.92 3gkf h VAL 263 Ca -0.03 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3gkf h VAL 263 Cb 0.80 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3gkf h VAL 263 CO -0.16 0.13 0.48 0.00 0.02 0.00 0.00 177.57 178.03 3gkf h ALA 264 N 1.48 0.94 -0.19 1.67 0.00 -1.78 -2.24 119.26 119.14 3gkf h ALA 264 Ca 0.41 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.30 3gkf h ALA 264 Cb 0.44 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3gkf h ALA 264 CO -0.28 0.30 0.06 1.98 0.00 0.00 0.00 179.25 181.31 3gkf h MET 265 N 0.95 0.14 -0.80 0.00 -1.53 0.01 -1.87 114.93 111.83 3gkf h MET 265 Ca 0.28 -0.01 0.04 0.00 -3.44 0.00 0.00 59.70 56.58 3gkf h MET 265 Cb -0.05 -0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 30.91 3gkf h MET 265 CO -0.08 0.09 0.50 0.52 0.14 0.00 0.00 176.91 178.08 3gkf h MET 266 N 0.14 0.92 -0.32 0.39 2.86 -0.76 0.14 114.93 118.30 3gkf h MET 266 Ca 0.08 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3gkf h MET 266 Cb 0.06 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 3gkf h MET 266 CO -0.09 0.61 -0.04 0.87 1.06 0.00 0.00 176.91 179.32 3gkf h LYS 267 N 0.95 0.51 0.22 1.72 1.57 -1.12 0.74 116.57 121.16 3gkf h LYS 267 Ca 0.33 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3gkf h LYS 267 Cb 0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3gkf h LYS 267 CO -0.14 0.56 -0.17 0.00 -0.57 0.00 0.00 179.45 179.14 3gkf h ALA 268 N 1.49 -0.38 -0.64 3.86 0.00 -0.05 -1.27 119.26 122.27 3gkf h ALA 268 Ca 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3gkf h ALA 268 Cb 0.37 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3gkf h ALA 268 CO 0.02 -0.73 0.28 0.28 0.00 0.00 0.00 179.25 179.10 3gkf h VAL 269 N -0.40 1.23 -0.64 0.00 2.07 0.18 -1.52 116.25 117.17 3gkf h VAL 269 Ca -0.01 -0.68 0.11 0.00 0.82 0.00 0.00 66.70 66.94 3gkf h VAL 269 Cb 0.35 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 3gkf h VAL 269 CO -0.00 0.27 0.22 1.56 0.02 0.00 0.00 177.57 179.64 3gkf h GLN 270 N 0.89 0.37 0.15 1.57 4.20 0.68 0.30 115.11 123.27 3gkf h GLN 270 Ca 0.22 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 3gkf h GLN 270 Cb 0.16 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3gkf h GLN 270 CO -0.02 0.25 -0.07 0.00 -0.67 0.00 0.00 178.83 178.31 3gkf h ALA 271 N 1.46 -0.20 -0.29 3.87 0.00 -0.29 0.85 119.26 124.66 3gkf h ALA 271 Ca 0.33 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3gkf h ALA 271 Cb 0.45 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3gkf h ALA 271 CO -0.35 -0.56 0.12 0.28 0.00 0.00 0.00 179.25 178.74 3gkf h VAL 272 N -0.31 0.95 0.31 0.00 2.07 -0.84 0.12 116.25 118.55 3gkf h VAL 272 Ca -0.02 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3gkf h VAL 272 Cb 0.24 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3gkf h VAL 272 CO 0.03 0.05 -0.15 0.58 0.02 0.00 0.00 177.57 178.10 3gkf h VAL 273 N 0.26 0.00 0.22 2.57 2.07 -0.66 -3.00 116.25 117.70 3gkf h VAL 273 Ca 0.12 -0.26 -0.33 0.00 0.82 0.00 0.00 66.70 67.06 3gkf h VAL 273 Cb 0.07 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 29.87 3gkf h VAL 273 CO -0.11 0.00 -1.47 0.45 0.02 0.00 0.00 177.57 176.46 3gkf h HIS 274 N -0.67 0.86 -0.01 1.57 -0.00 -0.95 -3.38 115.15 112.58 3gkf h HIS 274 Ca -0.04 -0.63 0.00 0.00 -0.00 0.00 0.00 60.37 59.70 3gkf h HIS 274 Cb 0.31 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 3gkf h HIS 274 CO 0.05 1.52 -0.74 0.72 -0.00 0.00 0.00 177.93 179.49 3gkf n HIS 275 N -3.66 0.00 -0.74 2.45 8.25 -0.71 -4.98 115.22 115.83 3gkf n HIS 275 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 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 -0.92 -0.21 -4.54 0.41 3.02 0.33 -4.96 115.26 108.38 3gkf n ASN 276 Ca 0.06 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.21 3gkf n ASN 276 Cb 0.35 -0.03 0.03 0.00 -0.61 0.00 0.00 39.78 39.52 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 -2.07 0.86 -1.78 3.52 -0.58 -0.96 -4.92 120.64 114.71 3gkf n GLU 277 Ca 0.00 0.32 -0.31 0.00 -0.42 0.00 0.00 57.16 56.75 3gkf n GLU 277 Cb 0.00 -1.89 0.03 0.00 -0.57 0.00 0.00 31.44 29.01 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 -1.50 4.13 0.18 2.62 -1.32 -1.26 -4.41 115.64 114.09 3gkf s THR 278 Ca 0.68 0.78 -0.16 0.00 -1.21 0.00 0.00 61.69 61.78 3gkf s THR 278 Cb -0.49 -3.50 0.15 0.00 -1.51 0.00 0.00 72.50 67.15 3gkf s THR 278 CO 0.54 -0.82 1.65 0.00 -2.21 0.00 0.00 174.62 173.78 3gkf h ALA 279 N -0.29 0.33 0.44 11.08 0.00 -1.91 -1.12 119.26 127.78 3gkf h ALA 279 Ca -0.45 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3gkf h ALA 279 Cb 1.21 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 3gkf h ALA 279 CO 0.58 -0.44 -0.27 -0.44 0.00 0.00 0.00 179.25 178.68 3gkf h ASP 280 N 0.00 -0.67 -0.46 0.00 5.19 -1.97 0.21 116.42 118.73 3gkf h ASP 280 Ca 0.23 0.04 0.09 0.00 -0.62 0.00 0.00 57.03 56.77 3gkf h ASP 280 Cb 0.36 0.20 -0.08 0.00 0.18 0.00 0.00 39.33 39.98 3gkf h ASP 280 CO -0.50 -0.42 -0.05 0.03 -3.12 0.00 0.00 179.24 175.18 3gkf h ARG 281 N -0.67 0.06 -0.17 3.56 3.08 -1.90 0.15 114.38 118.48 3gkf h ARG 281 Ca -0.05 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.04 3gkf h ARG 281 Cb 0.55 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.52 3gkf h ARG 281 CO 0.05 0.04 -0.44 0.00 -1.07 0.00 0.00 179.97 178.55 3gkf h ALA 282 N 1.43 -0.61 -0.92 0.04 0.00 -0.51 0.11 119.26 118.81 3gkf h ALA 282 Ca 0.23 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.28 3gkf h ALA 282 Cb 0.34 0.83 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 3gkf h ALA 282 CO -0.42 -0.94 0.52 -0.92 0.00 0.00 0.00 179.25 177.49 3gkf h TYR 283 N -0.48 0.92 -0.22 0.00 -0.00 0.30 -0.44 116.97 117.05 3gkf h TYR 283 Ca 0.08 0.03 -0.01 0.00 -0.00 0.00 0.00 58.73 58.83 3gkf h TYR 283 Cb 0.63 -0.27 -0.01 0.00 -0.00 0.00 0.00 36.73 37.08 3gkf h TYR 283 CO -0.52 0.25 0.11 0.93 -0.00 0.00 0.00 178.16 178.93 3gkf h GLU 284 N 0.74 0.32 0.00 1.82 5.08 0.11 0.33 114.58 122.98 3gkf h GLU 284 Ca 0.50 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 3gkf h GLU 284 Cb 0.67 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3gkf h GLU 284 CO -0.34 0.33 0.00 1.37 -1.00 0.00 0.00 179.01 179.37 3gkf h LEU 285 N 0.22 0.00 0.50 1.33 -0.00 -0.74 0.43 115.31 117.06 3gkf h LEU 285 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 3gkf h LEU 285 Cb 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.76 3gkf h LEU 285 CO -0.01 0.00 -0.47 0.22 -0.00 0.00 0.00 178.44 178.18 3gkf h TYR 286 N 0.00 -1.30 -0.75 0.17 3.20 0.13 0.14 116.97 118.56 3gkf h TYR 286 Ca 0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3gkf h TYR 286 Cb 0.32 0.50 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 3gkf h TYR 286 CO 0.00 -0.64 0.30 -0.07 -1.64 0.00 0.00 178.16 176.11 3gkf h LEU 287 N -0.97 1.04 -0.66 2.82 3.38 -0.53 -2.47 115.31 117.92 3gkf h LEU 287 Ca -0.06 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 57.86 3gkf h LEU 287 Cb 0.84 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.20 3gkf h LEU 287 CO -0.05 0.93 -0.31 -1.28 0.09 0.00 0.00 178.44 177.82 3gkf h SER 288 N 1.08 -1.08 1.39 -0.43 0.87 -0.01 -3.06 113.55 112.31 3gkf h SER 288 Ca 0.25 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 3gkf h SER 288 Cb 0.21 0.56 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 3gkf h SER 288 CO -0.02 -0.29 0.00 -0.33 -0.53 0.00 0.00 176.83 175.66 3gkf h GLU 289 N -0.11 0.00 0.00 2.24 4.39 -0.25 -3.50 114.58 117.34 3gkf h GLU 289 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3gkf h GLU 289 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3gkf h GLU 289 CO -0.72 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 178.76