#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 2.75 -0.26 1.61 1.02 -1.26 -5.11 119.74 118.50 3gkf s LYS 11 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.43 3gkf s LYS 11 Cb 0.00 -2.62 0.04 0.00 -0.52 0.00 0.00 37.83 34.73 3gkf s LYS 11 CO 0.00 0.65 -0.08 0.34 -0.92 0.00 0.00 175.35 175.34 3gkf s ASP 12 N -1.06 4.34 0.00 2.83 2.15 -1.26 -4.95 116.67 118.72 3gkf s ASP 12 Ca 0.15 -1.13 0.26 0.00 0.43 0.00 0.00 52.55 52.26 3gkf s ASP 12 Cb -0.11 -1.61 0.72 0.00 -0.30 0.00 0.00 42.92 41.62 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 4.56 0.00 -3.73 -5.34 3.72 -1.26 -4.96 117.46 110.45 3gkf n PHE 13 Ca -0.15 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 56.99 3gkf n PHE 13 Cb 0.45 -0.02 0.03 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 0.25 -2.93 0.27 -1.08 3.00 -1.26 -4.83 116.66 110.08 3gkf n ARG 14 Ca 0.16 0.52 0.13 0.00 -0.00 0.00 0.00 57.85 58.65 3gkf n ARG 14 Cb 0.42 -4.65 0.75 0.00 0.00 0.00 0.00 32.46 28.98 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 -1.82 0.61 0.00 5.15 1.35 -2.02 -1.85 112.91 114.33 3gkf h THR 15 Ca -0.64 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 3gkf h THR 15 Cb 1.36 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3gkf h THR 15 CO 0.54 0.09 0.00 -2.24 -0.25 0.00 0.00 175.52 173.66 3gkf h ASP 16 N 0.00 0.00 -3.57 5.36 2.03 -2.04 -3.41 116.42 114.79 3gkf h ASP 16 Ca -0.00 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.66 3gkf h ASP 16 Cb 0.25 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 38.38 3gkf h ASP 16 CO 0.01 0.00 -0.81 -1.58 -1.03 0.00 0.00 179.24 175.83 3gkf s GLN 17 N -3.33 2.13 0.00 4.15 0.74 -0.70 -5.10 119.66 117.55 3gkf s GLN 17 Ca 0.05 -1.04 -0.16 0.00 0.05 0.00 0.00 55.36 54.26 3gkf s GLN 17 Cb 0.10 -2.62 -0.06 0.00 1.10 0.00 0.00 33.01 31.53 3gkf s GLN 17 CO 0.44 -0.48 0.45 -1.25 -0.55 0.00 0.00 175.29 173.90 3gkf s PRO 18 N 1.28 4.04 0.21 1.67 0.04 -1.26 -4.92 135.00 136.07 3gkf s PRO 18 Ca -0.04 0.49 -0.32 0.00 0.04 0.00 0.00 61.00 61.17 3gkf s PRO 18 Cb -0.18 -3.25 -0.13 0.00 0.04 0.00 0.00 34.50 30.98 3gkf s PRO 18 CO -0.07 0.61 1.56 0.94 0.04 0.00 0.00 177.00 180.07 3gkf n GLN 19 N 2.04 2.32 -4.51 4.56 7.27 -1.26 -5.00 117.38 122.81 3gkf n GLN 19 Ca -0.12 0.83 -0.22 0.00 0.07 0.00 0.00 57.00 57.56 3gkf n GLN 19 Cb 0.52 -2.59 -0.14 0.00 2.41 0.00 0.00 30.24 30.44 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 0.33 1.10 -0.08 3.69 2.20 -1.26 -5.12 119.74 120.59 3gkf s LYS 20 Ca 0.72 -0.72 -0.27 0.00 -0.36 0.00 0.00 55.97 55.35 3gkf s LYS 20 Cb -0.61 -1.12 -0.03 0.00 -1.51 0.00 0.00 37.83 34.57 3gkf s LYS 20 CO 0.42 0.29 0.86 -0.80 -0.36 0.00 0.00 175.35 175.75 3gkf s ASN 21 N -0.90 7.12 -0.13 1.43 0.01 -1.26 -5.03 114.94 116.18 3gkf s ASN 21 Ca 0.04 1.36 -0.29 0.00 -0.71 0.00 0.00 52.86 53.25 3gkf s ASN 21 Cb -0.07 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 3gkf s ASN 21 CO 0.01 -0.28 1.19 -0.63 -1.51 0.00 0.00 177.10 175.88 3gkf s ILE 22 N 1.41 4.36 0.61 0.60 1.09 -1.26 -5.00 121.20 123.02 3gkf s ILE 22 Ca 0.43 1.66 -0.18 0.00 -1.10 0.00 0.00 60.65 61.46 3gkf s ILE 22 Cb -0.18 -4.07 -0.03 0.00 -1.06 0.00 0.00 42.46 37.12 3gkf s ILE 22 CO 0.19 -0.08 1.20 -2.84 -0.10 0.00 0.00 174.94 173.31 3gkf s PRO 23 N 2.84 2.88 -0.34 2.79 0.02 -1.26 -5.01 135.00 136.93 3gkf s PRO 23 Ca 0.53 1.78 -0.08 0.00 0.02 0.00 0.00 61.00 63.26 3gkf s PRO 23 Cb -0.22 -1.92 0.03 0.00 0.02 0.00 0.00 34.50 32.41 3gkf s PRO 23 CO 0.17 -1.27 0.13 0.12 -0.33 0.00 0.00 177.00 175.81 3gkf s PHE 24 N -1.70 3.23 -0.88 6.54 5.36 -1.26 -5.00 117.98 124.27 3gkf s PHE 24 Ca 0.76 -1.20 0.23 0.00 -0.96 0.00 0.00 56.93 55.77 3gkf s PHE 24 Cb -0.29 -2.31 0.13 0.00 -0.34 0.00 0.00 43.02 40.20 3gkf s PHE 24 CO 0.35 -0.67 1.13 0.25 -1.46 0.00 0.00 175.22 174.81 3gkf n THR 25 N 4.87 0.05 -1.63 0.12 -2.24 -1.26 -4.57 114.28 109.62 3gkf n THR 25 Ca -0.13 -0.07 -0.47 0.00 -2.27 0.00 0.00 64.05 61.11 3gkf n THR 25 Cb 0.46 0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.64 2.43 -4.67 3.22 7.94 -1.26 -4.74 117.00 118.29 3gkf n LEU 26 Ca 0.04 1.13 -0.42 0.00 -1.11 0.00 0.00 56.01 55.65 3gkf n LEU 26 Cb 0.36 -1.33 -0.03 0.00 0.53 0.00 0.00 43.42 42.95 3gkf n LEU 26 CO 0.39 -0.78 1.53 -0.75 -1.11 0.00 0.00 177.39 176.67 3gkf s LYS 27 N -0.08 4.15 -0.12 1.96 2.20 -1.26 -1.73 119.74 124.86 3gkf s LYS 27 Ca 0.73 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.87 3gkf s LYS 27 Cb -0.75 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 31.56 3gkf s LYS 27 CO 0.48 -0.91 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 3gkf n GLY 28 N 4.39 0.43 0.81 5.54 0.00 -1.23 -3.72 105.19 111.40 3gkf n GLY 28 Ca 0.19 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.06 -1.51 1.90 0.00 0.00 -1.26 -3.87 105.19 99.39 3gkf n GLY 30 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.74 4.71 -2.55 4.61 0.00 -1.26 -4.94 120.51 119.34 3gkf n ALA 31 Ca 0.04 -3.67 -0.28 0.00 0.00 0.00 0.00 53.44 49.54 3gkf n ALA 31 Cb 0.34 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.34 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 -3.54 2.91 0.83 0.00 1.43 -1.25 -5.11 118.68 113.95 3gkf s LEU 32 Ca 0.48 -0.56 -0.10 0.00 -1.03 0.00 0.00 54.13 52.91 3gkf s LEU 32 Cb 0.40 -1.64 0.09 0.00 0.03 0.00 0.00 46.19 45.07 3gkf s LEU 32 CO 0.02 0.13 1.11 -0.62 0.23 0.00 0.00 176.35 177.22 3gkf s ASP 33 N -2.63 3.90 0.18 2.29 2.15 -1.26 -4.66 116.67 116.63 3gkf s ASP 33 Ca 0.23 1.95 -0.14 0.00 0.43 0.00 0.00 52.55 55.02 3gkf s ASP 33 Cb -0.09 -2.53 0.18 0.00 -0.30 0.00 0.00 42.92 40.18 3gkf s ASP 33 CO 0.14 -2.44 1.69 -0.25 -0.17 0.00 0.00 175.17 174.14 3gkf h TRP 34 N -1.41 0.01 -0.42 -5.34 7.01 -1.99 -0.74 115.95 113.06 3gkf h TRP 34 Ca -0.44 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.59 3gkf h TRP 34 Cb 1.25 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 28.36 3gkf h TRP 34 CO 0.55 -0.09 0.23 0.78 -2.79 0.00 0.00 178.44 177.12 3gkf h GLY 35 N 0.14 0.63 0.95 2.65 0.00 -1.92 0.18 103.07 105.70 3gkf h GLY 35 Ca 0.24 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 3gkf h GLY 35 CO -0.39 0.28 0.08 1.98 0.00 0.00 0.00 176.54 178.49 3gkf h MET 36 N 0.55 0.72 -0.34 4.80 1.85 -1.42 -0.78 114.93 120.30 3gkf h MET 36 Ca 0.15 -0.19 0.03 0.00 -0.61 0.00 0.00 59.70 59.08 3gkf h MET 36 Cb 0.06 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 31.98 3gkf h MET 36 CO -0.02 0.74 0.23 1.96 -0.40 0.00 0.00 176.91 179.42 3gkf h GLN 37 N 0.58 0.35 -0.25 0.39 4.20 -0.45 -1.92 115.11 118.02 3gkf h GLN 37 Ca 0.13 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.72 3gkf h GLN 37 Cb 0.37 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 3gkf h GLN 37 CO 0.01 0.23 -0.26 1.03 -0.67 0.00 0.00 178.83 179.16 3gkf h SER 38 N 0.36 0.66 -0.38 1.46 0.87 0.39 -0.48 113.55 116.43 3gkf h SER 38 Ca 0.14 -0.48 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 3gkf h SER 38 Cb 0.11 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3gkf h SER 38 CO -0.03 1.01 0.18 0.03 -0.53 0.00 0.00 176.83 177.48 3gkf h ARG 39 N 0.32 0.55 -0.41 2.24 3.08 -0.71 -1.89 114.38 117.56 3gkf h ARG 39 Ca 0.04 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3gkf h ARG 39 Cb 0.83 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3gkf h ARG 39 CO 0.06 0.49 0.21 -0.07 -1.07 0.00 0.00 179.97 179.60 3gkf h LEU 40 N 0.47 0.50 -1.13 3.04 3.38 -1.23 -1.42 115.31 118.92 3gkf h LEU 40 Ca 0.13 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3gkf h LEU 40 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3gkf h LEU 40 CO -0.02 0.41 -0.31 0.28 0.09 0.00 0.00 178.44 178.90 3gkf h SER 41 N 0.57 0.00 -0.33 -0.43 0.02 -0.61 0.33 113.55 113.10 3gkf h SER 41 Ca 0.15 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 3gkf h SER 41 Cb 0.03 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3gkf h SER 41 CO -0.02 0.31 -0.13 0.03 -1.14 0.00 0.00 176.83 175.88 3gkf h ARG 42 N 0.00 0.77 0.01 3.45 3.08 -0.47 -3.33 114.38 117.89 3gkf h ARG 42 Ca -0.00 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 3gkf h ARG 42 Cb 0.77 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 3gkf h ARG 42 CO 0.04 0.87 -0.15 0.82 -1.07 0.00 0.00 179.97 180.48 3gkf h ILE 43 N 0.70 1.71 -3.73 2.04 2.04 -1.10 -3.44 117.51 115.72 3gkf h ILE 43 Ca 0.11 -2.34 -0.65 0.00 1.00 0.00 0.00 64.86 62.98 3gkf h ILE 43 Cb 0.61 3.28 -0.21 0.00 -0.74 0.00 0.00 36.82 39.77 3gkf h ILE 43 CO 0.04 0.59 -0.58 -0.36 0.00 0.00 0.00 178.15 177.84 3gkf s PHE 44 N -2.24 3.14 0.05 1.37 0.08 0.02 -4.51 117.98 115.89 3gkf s PHE 44 Ca -0.20 -0.27 -0.33 0.00 0.12 0.00 0.00 56.93 56.26 3gkf s PHE 44 Cb -0.02 -2.30 -0.12 0.00 -0.57 0.00 0.00 43.02 40.01 3gkf s PHE 44 CO 0.69 -0.31 1.80 -1.71 -0.10 0.00 0.00 175.22 175.59 3gkf n ASN 45 N 4.98 3.59 -0.30 1.36 2.85 -0.19 -4.49 115.26 123.06 3gkf n ASN 45 Ca -0.15 1.00 -0.03 0.00 -0.11 0.00 0.00 54.58 55.29 3gkf n ASN 45 Cb 0.51 -1.45 0.13 0.00 1.24 0.00 0.00 39.78 40.21 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 8.27 1.18 0.41 1.20 0.11 -1.90 2.76 132.00 144.04 3gkf h PRO 46 Ca -0.47 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 65.49 3gkf h PRO 46 Cb 1.25 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3gkf h PRO 46 CO 0.93 0.86 -0.20 0.87 -0.21 0.00 0.00 178.00 180.25 3gkf h LYS 47 N 1.19 -0.54 0.00 1.05 1.79 -1.98 -3.33 116.57 114.76 3gkf h LYS 47 Ca 0.30 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 3gkf h LYS 47 Cb 0.01 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 3gkf h LYS 47 CO -0.05 -0.36 -1.37 0.25 -1.08 0.00 0.00 179.45 176.84 3gkf n THR 48 N -5.33 0.06 -1.78 -0.16 -2.24 -1.07 -4.98 114.28 98.78 3gkf n THR 48 Ca -0.11 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.29 3gkf n THR 48 Cb 0.24 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.82 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 1.37 0.59 3.20 3.38 0.00 0.92 -4.98 105.19 109.68 3gkf n GLY 49 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.78 1.11 -0.02 1.61 1.02 -1.21 -4.77 119.74 113.69 3gkf s LYS 50 Ca 0.00 -1.56 -0.06 0.00 0.02 0.00 0.00 55.97 54.37 3gkf s LYS 50 Cb 0.00 0.11 0.01 0.00 -0.52 0.00 0.00 37.83 37.42 3gkf s LYS 50 CO 0.00 -0.29 0.13 -0.08 -0.92 0.00 0.00 175.35 174.19 3gkf s THR 51 N -3.99 0.04 -0.29 2.17 -1.32 -0.28 -1.02 115.64 110.96 3gkf s THR 51 Ca 0.31 -0.37 -0.08 0.00 -1.21 0.00 0.00 61.69 60.34 3gkf s THR 51 Cb 0.07 -0.31 -0.00 0.00 -1.51 0.00 0.00 72.50 70.75 3gkf s THR 51 CO 0.07 -0.20 0.10 -0.69 -2.21 0.00 0.00 174.62 171.69 3gkf s VAL 52 N -0.67 4.26 -0.15 5.08 1.01 -1.26 -2.41 120.40 126.26 3gkf s VAL 52 Ca -0.08 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3gkf s VAL 52 Cb -0.05 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 3gkf s VAL 52 CO 0.01 0.13 -0.11 -0.32 0.00 0.00 0.00 175.10 174.81 3gkf s MET 53 N 1.56 3.41 -0.45 2.72 0.00 -0.80 -0.36 119.30 125.37 3gkf s MET 53 Ca 0.04 -0.66 -0.11 0.00 0.00 0.00 0.00 55.69 54.96 3gkf s MET 53 Cb -0.17 -2.72 0.09 0.00 0.00 0.00 0.00 34.83 32.03 3gkf s MET 53 CO 0.04 0.14 0.33 -1.17 0.00 0.00 0.00 175.02 174.36 3gkf s LEU 54 N 0.56 5.45 -0.21 4.11 2.96 -0.19 -3.91 118.68 127.45 3gkf s LEU 54 Ca -0.07 -1.55 -0.08 0.00 -0.22 0.00 0.00 54.13 52.21 3gkf s LEU 54 Cb -0.15 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 3gkf s LEU 54 CO 0.03 -0.62 0.09 0.00 -1.32 0.00 0.00 176.35 174.54 3gkf s ALA 55 N 1.49 3.42 -0.37 5.97 0.00 -1.26 -1.55 121.76 129.46 3gkf s ALA 55 Ca 0.04 -0.87 0.13 0.00 0.00 0.00 0.00 51.96 51.26 3gkf s ALA 55 Cb -0.24 -2.07 0.44 0.00 0.00 0.00 0.00 23.12 21.24 3gkf s ALA 55 CO 0.03 -0.07 0.99 1.97 0.00 0.00 0.00 175.76 178.68 3gkf n PHE 56 N 4.04 1.89 0.98 0.00 1.16 0.43 -4.71 117.46 121.25 3gkf n PHE 56 Ca -0.16 -3.00 0.12 0.00 -1.87 0.00 0.00 57.45 52.55 3gkf n PHE 56 Cb 0.52 -0.29 0.17 0.00 -1.61 0.00 0.00 39.48 38.27 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 -0.18 2.85 0.30 5.98 5.75 -1.23 -4.51 116.55 125.51 3gkf n ASP 57 Ca 0.20 -1.93 0.17 0.00 -0.01 0.00 0.00 54.79 53.22 3gkf n ASP 57 Cb 0.75 -0.03 0.96 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 4.35 0.00 -0.19 2.11 -0.00 -1.93 -0.40 115.15 119.09 3gkf h HIS 58 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 3gkf h HIS 58 Cb 0.93 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.33 3gkf h HIS 58 CO 0.03 0.02 0.46 0.78 -0.00 0.00 0.00 177.93 179.23 3gkf h GLY 59 N 0.25 0.00 1.97 2.45 0.00 -1.79 -1.78 103.07 104.17 3gkf h GLY 59 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3gkf h GLY 59 CO 0.00 0.00 -0.09 0.10 0.00 0.00 0.00 176.54 176.56 3gkf h TYR 60 N 0.00 0.04 0.00 5.60 -0.00 -1.35 -1.46 116.97 119.80 3gkf h TYR 60 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.82 3gkf h TYR 60 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 37.73 3gkf h TYR 60 CO 0.00 0.13 0.00 1.97 -0.00 0.00 0.00 178.16 180.26 3gkf n PHE 61 N -4.41 0.00 0.27 0.10 1.16 -1.04 -4.69 117.46 108.85 3gkf n PHE 61 Ca -0.02 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.59 3gkf n PHE 61 Cb 0.18 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.00 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 -0.11 3.33 0.00 3.97 6.02 -0.70 -1.61 117.38 128.28 3gkf n GLN 62 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3gkf n GLN 62 Cb 0.10 -0.95 0.00 0.00 1.02 0.00 0.00 30.24 30.41 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 1.41 -0.22 3.33 1.08 0.00 -0.58 -4.23 105.19 105.99 3gkf n GLY 63 Ca 0.01 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 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 2.66 -1.14 1.61 -0.02 -1.26 -4.01 135.00 132.84 3gkf n PRO 64 Ca 0.00 -2.83 -0.34 0.00 -2.02 0.00 0.00 63.50 58.30 3gkf n PRO 64 Cb 0.00 -3.44 0.11 0.00 -0.02 0.00 0.00 33.50 30.15 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 6.31 1.85 -1.69 3.45 -1.04 -1.26 -4.68 114.28 117.21 3gkf n THR 65 Ca 0.49 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.05 61.80 3gkf n THR 65 Cb 0.44 -1.00 -0.03 0.00 -1.82 0.00 0.00 70.33 67.92 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 -2.06 2.48 0.00 12.58 2.01 -1.26 -0.90 115.64 128.49 3gkf s THR 66 Ca 0.69 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.70 3gkf s THR 66 Cb -0.30 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.20 3gkf s THR 66 CO 0.55 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.09 3gkf n GLY 67 N 4.26 1.83 0.73 4.40 0.00 -1.26 -4.81 105.19 110.34 3gkf n GLY 67 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 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 3.31 -0.05 0.99 4.77 -0.08 -4.68 117.00 121.26 3gkf n LEU 68 Ca 0.00 -2.41 -0.08 0.00 -0.03 0.00 0.00 56.01 53.49 3gkf n LEU 68 Cb 0.00 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 3gkf n LEU 68 CO 0.00 0.70 0.80 -0.33 -1.33 0.00 0.00 177.39 177.24 3gkf h GLU 69 N 1.91 -0.05 -3.06 3.23 3.07 -1.80 -3.34 114.58 114.54 3gkf h GLU 69 Ca 0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.25 3gkf h GLU 69 Cb 1.02 0.01 -0.40 0.00 -0.84 0.00 0.00 28.75 28.54 3gkf h GLU 69 CO 0.09 -0.03 -0.72 1.03 -1.40 0.00 0.00 179.01 177.98 3gkf s ARG 70 N -6.19 1.42 0.25 2.33 1.81 -1.26 -4.95 118.95 112.36 3gkf s ARG 70 Ca -0.14 -2.12 -0.04 0.00 -1.72 0.00 0.00 55.73 51.72 3gkf s ARG 70 Cb 0.11 -2.52 0.40 0.00 -0.45 0.00 0.00 34.95 32.49 3gkf s ARG 70 CO 0.69 -1.15 1.84 0.82 -0.68 0.00 0.00 175.30 176.81 3gkf h ILE 71 N 5.30 0.97 0.00 1.52 1.08 -1.89 -0.59 117.51 123.91 3gkf h ILE 71 Ca -0.02 -0.32 -0.00 0.00 -0.39 0.00 0.00 64.86 64.12 3gkf h ILE 71 Cb 0.92 -0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.64 3gkf h ILE 71 CO 0.52 0.17 -0.02 -2.24 -0.69 0.00 0.00 178.15 175.89 3gkf h ASP 72 N 0.93 0.00 0.00 1.72 2.03 -1.92 -1.27 116.42 117.90 3gkf h ASP 72 Ca 0.41 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.53 3gkf h ASP 72 Cb 0.30 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.77 3gkf h ASP 72 CO -0.22 0.02 -1.45 -0.38 -1.03 0.00 0.00 179.24 176.19 3gkf n ILE 73 N -4.01 1.26 0.04 4.15 5.41 -0.93 -4.21 119.36 121.08 3gkf n ILE 73 Ca -0.03 -0.04 -0.12 0.00 1.00 0.00 0.00 62.75 63.56 3gkf n ILE 73 Cb 0.11 -1.95 -0.07 0.00 -0.71 0.00 0.00 39.64 37.01 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 -0.72 -0.02 0.40 4.38 -1.24 -1.18 -3.35 115.58 113.84 3gkf h ASN 74 Ca -0.27 -0.07 -0.23 0.00 0.71 0.00 0.00 56.30 56.45 3gkf h ASN 74 Cb 1.10 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 40.11 3gkf h ASN 74 CO -0.16 0.05 -1.80 -0.38 -1.29 0.00 0.00 177.43 173.86 3gkf n ILE 75 N -5.07 1.19 -0.28 2.57 2.08 -0.57 -4.42 119.36 114.86 3gkf n ILE 75 Ca -0.07 -0.74 0.09 0.00 0.56 0.00 0.00 62.75 62.59 3gkf n ILE 75 Cb 0.07 -0.64 0.24 0.00 -0.75 0.00 0.00 39.64 38.55 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 1.29 1.18 0.00 -1.39 0.00 -1.43 0.53 119.26 119.44 3gkf h ALA 76 Ca -0.27 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3gkf h ALA 76 Cb 1.78 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 3gkf h ALA 76 CO 0.04 -0.31 -0.03 -1.00 0.00 0.00 0.00 179.25 177.96 3gkf h PRO 77 N 0.36 0.00 0.00 0.00 0.13 -1.77 -3.14 132.00 127.58 3gkf h PRO 77 Ca 0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.57 3gkf h PRO 77 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 3gkf h PRO 77 CO -0.50 0.03 -0.21 -0.07 -0.23 0.00 0.00 178.00 177.02 3gkf h LEU 78 N 0.00 0.00 -0.48 1.56 3.38 -0.16 -3.38 115.31 116.22 3gkf h LEU 78 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3gkf h LEU 78 Cb 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3gkf h LEU 78 CO 0.00 0.19 0.24 -0.26 0.09 0.00 0.00 178.44 178.70 3gkf h PHE 79 N 0.00 0.44 -0.03 1.13 0.04 -1.52 -2.32 116.94 114.67 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 1.14 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 39.17 3gkf h PHE 79 CO 0.00 0.21 0.07 1.05 -0.60 0.00 0.00 178.31 179.05 3gkf h GLU 80 N 0.47 0.00 -0.64 1.51 4.11 -1.83 -1.83 114.58 116.38 3gkf h GLU 80 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 3gkf h GLU 80 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3gkf h GLU 80 CO -0.15 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.65 3gkf n HIS 81 N -3.42 1.66 -4.28 2.06 8.25 -0.87 -4.89 115.22 113.73 3gkf n HIS 81 Ca -0.02 -0.62 -0.28 0.00 -0.26 0.00 0.00 57.72 56.54 3gkf n HIS 81 Cb 0.15 -0.35 -0.10 0.00 1.12 0.00 0.00 29.99 30.81 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 -2.19 2.85 -0.01 -1.41 0.00 -0.69 -4.89 121.76 115.41 3gkf s ALA 82 Ca 0.50 -1.37 -0.20 0.00 0.00 0.00 0.00 51.96 50.88 3gkf s ALA 82 Cb 0.35 -0.74 -0.30 0.00 0.00 0.00 0.00 23.12 22.43 3gkf s ALA 82 CO 0.20 0.56 0.98 -0.44 0.00 0.00 0.00 175.76 177.05 3gkf h ASP 83 N 3.38 0.59 -4.52 0.00 3.32 -1.01 -3.47 116.42 114.71 3gkf h ASP 83 Ca -0.48 -0.90 -0.17 0.00 0.02 0.00 0.00 57.03 55.50 3gkf h ASP 83 Cb 1.18 -0.19 -0.23 0.00 0.22 0.00 0.00 39.33 40.31 3gkf h ASP 83 CO 0.51 1.43 -0.56 0.54 -1.72 0.00 0.00 179.24 179.44 3gkf s VAL 84 N -2.68 0.06 0.08 -1.35 0.11 -1.03 -4.11 120.40 111.48 3gkf s VAL 84 Ca -0.12 -0.47 0.03 0.00 -2.93 0.00 0.00 61.98 58.49 3gkf s VAL 84 Cb 0.02 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.53 3gkf s VAL 84 CO 0.86 -0.26 0.08 -0.76 -3.33 0.00 0.00 175.10 171.69 3gkf s LEU 85 N -0.85 3.79 -0.11 2.54 1.43 0.02 -1.02 118.68 124.48 3gkf s LEU 85 Ca -0.09 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3gkf s LEU 85 Cb -0.05 -2.47 0.04 0.00 0.03 0.00 0.00 46.19 43.73 3gkf s LEU 85 CO 0.01 0.17 0.01 -0.32 0.23 0.00 0.00 176.35 176.44 3gkf s MET 86 N -2.40 0.67 0.36 1.70 -2.45 -0.59 0.23 119.30 116.82 3gkf s MET 86 Ca 0.29 -0.05 -0.05 0.00 -1.25 0.00 0.00 55.69 54.64 3gkf s MET 86 Cb -0.12 -1.31 0.01 0.00 1.25 0.00 0.00 34.83 34.66 3gkf s MET 86 CO 0.22 -0.39 0.54 0.00 1.05 0.00 0.00 175.02 176.44 3gkf s THR 88 N -2.85 3.88 0.33 0.00 -4.23 -1.26 -1.16 115.64 110.34 3gkf s THR 88 Ca 0.28 0.61 0.11 0.00 -1.18 0.00 0.00 61.69 61.50 3gkf s THR 88 Cb -0.01 -3.48 0.05 0.00 1.34 0.00 0.00 72.50 70.40 3gkf s THR 88 CO 0.19 -0.80 1.74 0.08 -0.54 0.00 0.00 174.62 175.30 3gkf h ARG 89 N -0.68 0.06 0.17 3.99 0.11 -1.97 -0.62 114.38 115.44 3gkf h ARG 89 Ca -0.45 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.60 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 0.60 0.49 -0.08 0.78 0.10 0.00 0.00 179.97 181.86 3gkf h GLY 90 N 1.32 -0.24 0.95 0.08 0.00 -1.96 -2.10 103.07 101.13 3gkf h GLY 90 Ca 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 3gkf h GLY 90 CO 0.06 -0.09 0.12 -2.22 0.00 0.00 0.00 176.54 174.41 3gkf h ILE 91 N -0.38 1.23 -0.20 2.60 1.08 -1.92 -2.59 117.51 117.34 3gkf h ILE 91 Ca -0.02 -0.77 0.05 0.00 -0.39 0.00 0.00 64.86 63.73 3gkf h ILE 91 Cb 0.30 0.90 -0.05 0.00 -3.07 0.00 0.00 36.82 34.90 3gkf h ILE 91 CO 0.04 0.27 -0.11 0.25 -0.69 0.00 0.00 178.15 177.91 3gkf h LEU 92 N 0.57 -0.37 -0.71 1.44 5.85 -1.03 0.11 115.31 121.17 3gkf h LEU 92 Ca 0.14 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 3gkf h LEU 92 Cb 0.29 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3gkf h LEU 92 CO -0.00 -0.15 0.02 0.03 -0.34 0.00 0.00 178.44 178.00 3gkf h ARG 93 N -0.10 1.01 0.10 1.25 3.08 -1.36 -2.71 114.38 115.65 3gkf h ARG 93 Ca 0.11 -0.30 -0.19 0.00 0.07 0.00 0.00 59.98 59.67 3gkf h ARG 93 Cb 0.26 -0.10 0.02 0.00 0.08 0.00 0.00 29.97 30.23 3gkf h ARG 93 CO -0.26 0.98 -0.82 0.66 -1.07 0.00 0.00 179.97 179.46 3gkf h SER 94 N 0.93 0.55 0.00 7.04 4.64 -1.00 -3.42 113.55 122.29 3gkf h SER 94 Ca 0.17 -0.88 0.00 0.00 -0.47 0.00 0.00 61.79 60.61 3gkf h SER 94 Cb 0.51 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3gkf h SER 94 CO 0.03 1.37 0.00 1.33 -0.87 0.00 0.00 176.83 178.69 3gkf n VAL 95 N -4.11 0.21 -3.63 0.95 0.24 0.34 -4.97 118.33 107.36 3gkf n VAL 95 Ca -0.13 -0.33 -0.38 0.00 -2.04 0.00 0.00 64.34 61.47 3gkf n VAL 95 Cb 0.80 1.18 -0.11 0.00 -1.47 0.00 0.00 33.84 34.24 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 -0.21 5.01 0.13 3.34 1.01 -1.02 -4.69 120.40 123.97 3gkf s VAL 96 Ca 0.00 0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 3gkf s VAL 96 Cb 0.00 -3.41 -0.08 0.00 0.00 0.00 0.00 36.38 32.90 3gkf s VAL 96 CO 0.00 0.24 1.31 -2.84 0.00 0.00 0.00 175.10 173.80 3gkf s PRO 97 N 1.71 4.38 0.40 2.72 0.02 -1.26 -4.72 135.00 138.25 3gkf s PRO 97 Ca 0.07 1.98 0.15 0.00 0.02 0.00 0.00 61.00 63.22 3gkf s PRO 97 Cb -0.16 -3.25 1.01 0.00 0.02 0.00 0.00 34.50 32.12 3gkf s PRO 97 CO 0.09 -0.31 1.87 -1.35 -0.33 0.00 0.00 177.00 176.97 3gkf h PRO 98 N 6.23 0.46 0.00 5.54 0.11 -1.96 0.41 132.00 142.80 3gkf h PRO 98 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gkf h PRO 98 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gkf h PRO 98 CO 0.81 0.31 0.00 0.00 -0.21 0.00 0.00 178.00 178.91 3gkf n ALA 99 N -2.49 1.98 0.31 -0.75 0.00 -1.26 -2.53 120.51 115.77 3gkf n ALA 99 Ca 0.18 -0.09 0.19 0.00 0.00 0.00 0.00 53.44 53.73 3gkf n ALA 99 Cb 0.62 -1.26 1.03 0.00 0.00 0.00 0.00 19.45 19.83 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 0.14 -6.73 0.00 2.02 -1.28 -3.44 112.91 103.62 3gkf h THR 100 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.63 3gkf h THR 100 Cb 0.09 0.89 -0.18 0.00 -1.74 0.00 0.00 68.15 67.21 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 -3.24 -2.46 -4.28 4.18 5.15 -1.05 -4.87 115.26 108.69 3gkf n ASN 101 Ca -0.02 -1.03 -0.27 0.00 -0.60 0.00 0.00 54.58 52.66 3gkf n ASN 101 Cb 0.19 -2.73 -0.14 0.00 -0.53 0.00 0.00 39.78 36.57 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 1.48 0.47 1.20 6.06 -1.26 -5.12 118.95 114.90 3gkf s ARG 102 Ca 0.56 -1.00 -0.24 0.00 -2.50 0.00 0.00 55.73 52.54 3gkf s ARG 102 Cb -0.31 -1.63 -0.07 0.00 0.06 0.00 0.00 34.95 33.01 3gkf s ARG 102 CO 0.93 0.41 1.34 -2.14 -2.50 0.00 0.00 175.30 173.35 3gkf s PRO 103 N -1.25 3.57 0.07 5.12 0.02 -1.26 -4.82 135.00 136.45 3gkf s PRO 103 Ca 0.09 2.22 0.08 0.00 0.02 0.00 0.00 61.00 63.41 3gkf s PRO 103 Cb -0.09 -2.51 -0.03 0.00 0.02 0.00 0.00 34.50 31.89 3gkf s PRO 103 CO 0.02 -0.84 -0.22 0.14 -0.33 0.00 0.00 177.00 175.77 3gkf s VAL 104 N -1.29 1.81 -0.35 3.83 -7.23 -1.26 -0.80 120.40 115.11 3gkf s VAL 104 Ca 0.64 -1.38 -0.05 0.00 -1.81 0.00 0.00 61.98 59.38 3gkf s VAL 104 Cb -0.39 -1.59 0.06 0.00 0.56 0.00 0.00 36.38 35.01 3gkf s VAL 104 CO 0.49 0.14 0.10 -0.69 -0.31 0.00 0.00 175.10 174.83 3gkf s VAL 105 N -0.93 3.54 0.10 1.32 1.01 0.14 -1.44 120.40 124.14 3gkf s VAL 105 Ca 0.08 -1.35 -0.31 0.00 0.00 0.00 0.00 61.98 60.41 3gkf s VAL 105 Cb -0.09 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.13 3gkf s VAL 105 CO 0.03 -0.26 1.33 -0.76 0.00 0.00 0.00 175.10 175.44 3gkf s LEU 106 N 1.33 4.37 -0.15 3.92 1.43 -0.45 -3.35 118.68 125.77 3gkf s LEU 106 Ca -0.01 2.24 -0.29 0.00 -1.03 0.00 0.00 54.13 55.04 3gkf s LEU 106 Cb -0.20 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 3gkf s LEU 106 CO 0.01 -0.60 1.20 -0.60 0.23 0.00 0.00 176.35 176.60 3gkf s ARG 107 N 1.04 4.27 -0.11 1.70 6.06 -0.31 -0.58 118.95 131.01 3gkf s ARG 107 Ca 0.63 1.60 0.14 0.00 -2.50 0.00 0.00 55.73 55.60 3gkf s ARG 107 Cb -0.35 -3.70 0.33 0.00 0.06 0.00 0.00 34.95 31.30 3gkf s ARG 107 CO 0.30 -0.63 1.24 0.00 -2.50 0.00 0.00 175.30 173.71 3gkf n ALA 108 N 6.25 2.47 -2.47 6.12 0.00 0.32 -4.52 120.51 128.67 3gkf n ALA 108 Ca 0.13 -2.03 -0.23 0.00 0.00 0.00 0.00 53.44 51.30 3gkf n ALA 108 Cb 0.45 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.96 3.21 0.00 0.00 1.04 -1.23 0.16 113.70 114.93 3gkf s SER 109 Ca 0.29 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.56 3gkf s SER 109 Cb 0.23 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.10 3gkf s SER 109 CO 0.07 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.66 3gkf n GLY 110 N -0.65 -0.53 2.12 7.32 0.00 -0.57 -4.64 105.19 108.24 3gkf n GLY 110 Ca -0.05 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.01 -2.55 4.61 0.00 -1.26 0.01 120.51 121.31 3gkf n ALA 111 Ca 0.00 0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 3gkf n ALA 111 Cb 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 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 -2.31 4.92 0.16 0.00 4.22 -1.23 -4.76 114.94 115.95 3gkf s ASN 112 Ca 0.00 -0.64 0.02 0.00 -2.14 0.00 0.00 52.86 50.10 3gkf s ASN 112 Cb 0.00 -0.86 -0.05 0.00 1.28 0.00 0.00 41.25 41.62 3gkf s ASN 112 CO 0.00 -0.27 -0.02 -0.94 -2.04 0.00 0.00 177.10 173.83 3gkf s SER 113 N -3.88 1.30 0.00 3.54 1.04 -1.26 -4.43 113.70 110.01 3gkf s SER 113 Ca 0.38 -1.13 0.20 0.00 0.48 0.00 0.00 55.95 55.87 3gkf s SER 113 Cb -0.04 0.09 1.01 0.00 0.10 0.00 0.00 66.02 67.19 3gkf s SER 113 CO 0.24 -0.53 1.61 2.30 0.98 0.00 0.00 173.24 177.84 3gkf n ILE 114 N -0.22 0.36 1.35 -1.02 -5.35 -0.63 -2.81 119.36 111.04 3gkf n ILE 114 Ca -0.08 0.09 0.13 0.00 -0.27 0.00 0.00 62.75 62.63 3gkf n ILE 114 Cb 0.63 -0.77 0.41 0.00 -1.74 0.00 0.00 39.64 38.17 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 -1.26 1.55 0.00 7.28 4.77 -1.26 -4.95 117.00 123.13 3gkf n LEU 115 Ca 0.10 -0.50 -0.06 0.00 -0.03 0.00 0.00 56.01 55.52 3gkf n LEU 115 Cb 0.15 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3gkf n LEU 115 CO 0.15 0.27 0.00 0.00 -1.33 0.00 0.00 177.39 176.48 3gkf n ALA 116 N 0.06 0.10 -1.69 -1.18 0.00 -1.13 -5.10 120.51 111.57 3gkf n ALA 116 Ca 0.16 -0.63 -0.43 0.00 0.00 0.00 0.00 53.44 52.54 3gkf n ALA 116 Cb 0.38 0.51 -0.03 0.00 0.00 0.00 0.00 19.45 20.31 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 -0.21 2.64 -0.06 0.00 4.07 -1.26 -4.72 120.64 121.09 3gkf n GLU 117 Ca 0.02 0.96 -0.05 0.00 -0.06 0.00 0.00 57.16 58.03 3gkf n GLU 117 Cb 0.21 -2.81 0.16 0.00 -0.06 0.00 0.00 31.44 28.93 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 7.60 0.68 0.00 4.31 5.85 -1.95 -3.00 115.31 128.79 3gkf h LEU 118 Ca -0.45 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.07 3gkf h LEU 118 Cb 1.22 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3gkf h LEU 118 CO 0.94 0.83 0.00 -1.54 -0.34 0.00 0.00 178.44 178.33 3gkf n SER 119 N -4.17 0.00 -4.23 1.25 3.41 -1.26 -4.56 113.62 104.07 3gkf n SER 119 Ca 0.01 -1.10 -0.43 0.00 -0.26 0.00 0.00 58.87 57.09 3gkf n SER 119 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.94 4.79 -4.56 4.04 5.15 -1.13 -4.55 115.26 118.05 3gkf n ASN 120 Ca 0.21 -2.95 -0.29 0.00 -0.60 0.00 0.00 54.58 50.95 3gkf n ASN 120 Cb 0.10 -1.64 -0.10 0.00 -0.53 0.00 0.00 39.78 37.61 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 2.66 2.05 0.32 1.20 2.02 -1.26 -3.50 118.70 122.19 3gkf s GLU 121 Ca 0.47 -1.11 0.04 0.00 0.02 0.00 0.00 54.97 54.40 3gkf s GLU 121 Cb 0.06 -2.24 -0.06 0.00 0.10 0.00 0.00 34.13 31.98 3gkf s GLU 121 CO 0.01 0.49 0.03 0.00 0.02 0.00 0.00 175.26 175.81 3gkf s ALA 122 N -1.31 2.41 0.20 5.21 0.00 0.10 -4.73 121.76 123.63 3gkf s ALA 122 Ca 0.22 -2.05 -0.30 0.00 0.00 0.00 0.00 51.96 49.82 3gkf s ALA 122 Cb -0.10 0.54 -0.09 0.00 0.00 0.00 0.00 23.12 23.47 3gkf s ALA 122 CO 0.13 -0.26 1.38 0.08 0.00 0.00 0.00 175.76 177.10 3gkf s VAL 123 N -3.21 3.00 -1.48 0.00 1.01 -1.26 -1.51 120.40 116.96 3gkf s VAL 123 Ca 0.35 0.81 0.13 0.00 0.00 0.00 0.00 61.98 63.27 3gkf s VAL 123 Cb 0.08 -3.52 0.17 0.00 0.00 0.00 0.00 36.38 33.11 3gkf s VAL 123 CO 0.15 0.11 1.01 0.00 0.00 0.00 0.00 175.10 176.37 3gkf n ALA 124 N 2.81 2.41 -3.53 5.51 0.00 0.42 -4.83 120.51 123.29 3gkf n ALA 124 Ca 0.08 -0.75 -0.10 0.00 0.00 0.00 0.00 53.44 52.66 3gkf n ALA 124 Cb 0.42 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.06 -0.40 0.40 0.00 0.05 -1.25 -4.91 118.68 111.51 3gkf s LEU 125 Ca 0.18 0.24 -0.15 0.00 0.05 0.00 0.00 54.13 54.45 3gkf s LEU 125 Cb 0.12 2.02 -0.09 0.00 -2.05 0.00 0.00 46.19 46.19 3gkf s LEU 125 CO 0.17 -0.51 0.84 -0.94 -0.55 0.00 0.00 176.35 175.35 3gkf s SER 126 N -1.78 6.72 0.56 1.48 1.04 -1.26 -4.89 113.70 115.56 3gkf s SER 126 Ca 0.00 1.39 0.24 0.00 0.48 0.00 0.00 55.95 58.06 3gkf s SER 126 Cb -0.01 -2.42 1.60 0.00 0.10 0.00 0.00 66.02 65.29 3gkf s SER 126 CO -0.03 -0.36 2.21 -0.03 0.98 0.00 0.00 173.24 176.01 3gkf h MET 127 N 1.67 0.00 -0.23 4.02 4.05 -1.97 -0.98 114.93 121.50 3gkf h MET 127 Ca -0.48 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 58.99 3gkf h MET 127 Cb 1.18 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.94 3gkf h MET 127 CO 0.63 0.01 -0.07 0.22 0.23 0.00 0.00 176.91 177.93 3gkf h ASP 128 N 0.00 -0.25 0.34 1.39 3.58 -1.98 0.19 116.42 119.69 3gkf h ASP 128 Ca -0.00 0.07 -0.18 0.00 0.42 0.00 0.00 57.03 57.34 3gkf h ASP 128 Cb 0.02 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 3gkf h ASP 128 CO 0.00 -0.09 -0.73 -0.78 -2.88 0.00 0.00 179.24 174.76 3gkf h ASP 129 N -0.02 0.40 -0.84 2.28 3.58 -1.58 -0.94 116.42 119.30 3gkf h ASP 129 Ca 0.11 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.28 3gkf h ASP 129 Cb 0.19 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.08 3gkf h ASP 129 CO -0.24 1.00 0.46 0.00 -2.88 0.00 0.00 179.24 177.58 3gkf h ALA 130 N 0.99 1.23 -0.26 -0.78 0.00 -0.62 0.19 119.26 120.01 3gkf h ALA 130 Ca -0.03 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 3gkf h ALA 130 Cb 1.30 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3gkf h ALA 130 CO 0.12 0.62 -0.44 0.28 0.00 0.00 0.00 179.25 179.84 3gkf h VAL 131 N 1.18 1.30 -0.12 0.00 2.07 -0.54 -2.23 116.25 117.90 3gkf h VAL 131 Ca 0.30 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 3gkf h VAL 131 Cb 0.02 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3gkf h VAL 131 CO -0.05 0.52 -0.09 -0.09 0.02 0.00 0.00 177.57 177.88 3gkf h ARG 132 N 0.52 0.18 -0.24 1.57 2.43 0.05 -2.05 114.38 116.84 3gkf h ARG 132 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3gkf h ARG 132 Cb 0.97 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3gkf h ARG 132 CO 0.09 0.28 0.00 1.28 -1.51 0.00 0.00 179.97 180.11 3gkf n LEU 133 N -4.34 1.77 -3.68 3.80 4.77 0.55 -4.94 117.00 114.93 3gkf n LEU 133 Ca -0.01 -0.80 -0.24 0.00 -0.03 0.00 0.00 56.01 54.94 3gkf n LEU 133 Cb 0.22 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 3gkf n LEU 133 CO 0.37 0.40 0.11 -3.20 -1.33 0.00 0.00 177.39 173.74 3gkf n ASN 134 N 0.41 -3.92 -4.79 -1.43 5.15 -0.77 -4.96 115.26 104.95 3gkf n ASN 134 Ca 0.15 -0.69 -0.32 0.00 -0.60 0.00 0.00 54.58 53.12 3gkf n ASN 134 Cb 0.32 -4.52 0.04 0.00 -0.53 0.00 0.00 39.78 35.10 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 -3.76 5.31 0.08 1.20 0.01 -0.88 -4.76 113.70 110.90 3gkf s SER 135 Ca 0.36 1.81 0.19 0.00 1.31 0.00 0.00 55.95 59.62 3gkf s SER 135 Cb -0.17 -2.53 -0.12 0.00 0.21 0.00 0.00 66.02 63.42 3gkf s SER 135 CO 0.78 -1.49 0.82 0.00 0.41 0.00 0.00 173.24 173.76 3gkf s ALA 137 N -3.09 -1.67 0.06 0.00 0.00 -1.23 -4.04 121.76 111.80 3gkf s ALA 137 Ca -0.03 0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.41 3gkf s ALA 137 Cb 0.09 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 3gkf s ALA 137 CO 0.81 -0.91 -0.23 0.14 0.00 0.00 0.00 175.76 175.57 3gkf s VAL 138 N -3.32 1.89 0.02 0.00 -7.23 -0.81 -1.35 120.40 109.60 3gkf s VAL 138 Ca 0.09 -1.38 0.06 0.00 -1.81 0.00 0.00 61.98 58.94 3gkf s VAL 138 Cb -0.02 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 3gkf s VAL 138 CO -0.02 0.20 -0.18 0.00 -0.31 0.00 0.00 175.10 174.79 3gkf s ALA 139 N -0.89 1.49 0.14 1.32 0.00 0.25 0.48 121.76 124.55 3gkf s ALA 139 Ca 0.09 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 3gkf s ALA 139 Cb -0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3gkf s ALA 139 CO 0.03 0.33 0.20 0.00 0.00 0.00 0.00 175.76 176.33 3gkf s ALA 140 N -0.68 0.17 -0.12 0.00 0.00 -0.35 0.12 121.76 120.90 3gkf s ALA 140 Ca 0.06 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 50.95 3gkf s ALA 140 Cb -0.08 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 3gkf s ALA 140 CO 0.01 -0.58 0.16 -0.65 0.00 0.00 0.00 175.76 174.70 3gkf s GLN 141 N -3.97 3.53 -0.03 0.00 -1.52 -1.26 -0.71 119.66 115.70 3gkf s GLN 141 Ca 0.16 -0.09 0.04 0.00 -1.95 0.00 0.00 55.36 53.52 3gkf s GLN 141 Cb 0.05 -3.21 -0.03 0.00 -0.22 0.00 0.00 33.01 29.60 3gkf s GLN 141 CO -0.02 0.74 -0.13 0.54 -0.25 0.00 0.00 175.29 176.17 3gkf s VAL 142 N -0.93 3.20 -0.58 1.09 0.11 0.16 -4.78 120.40 118.66 3gkf s VAL 142 Ca 0.15 -0.75 0.06 0.00 -2.93 0.00 0.00 61.98 58.51 3gkf s VAL 142 Cb -0.12 -2.29 0.25 0.00 -1.53 0.00 0.00 36.38 32.69 3gkf s VAL 142 CO 0.04 0.53 0.71 -1.22 -3.33 0.00 0.00 175.10 171.83 3gkf n TYR 143 N 2.10 2.82 -1.76 1.54 4.01 -1.26 -0.75 117.16 123.85 3gkf n TYR 143 Ca -0.17 -4.03 -0.41 0.00 -0.16 0.00 0.00 57.90 53.13 3gkf n TYR 143 Cb 0.52 -0.51 -0.00 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 0.93 1.91 0.00 -0.72 2.08 -1.26 -1.89 119.36 120.40 3gkf n ILE 144 Ca 0.28 -0.48 0.00 0.00 0.56 0.00 0.00 62.75 63.11 3gkf n ILE 144 Cb 0.44 -1.90 0.00 0.00 -0.75 0.00 0.00 39.64 37.42 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 0.66 2.77 3.96 7.39 0.00 -1.26 -4.94 105.19 113.77 3gkf n GLY 145 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.33 4.22 0.27 1.61 0.01 -0.79 -4.97 113.70 111.72 3gkf s SER 146 Ca 0.00 0.05 -0.03 0.00 1.31 0.00 0.00 55.95 57.28 3gkf s SER 146 Cb 0.00 -0.45 0.37 0.00 0.21 0.00 0.00 66.02 66.15 3gkf s SER 146 CO 0.00 -1.96 1.86 -0.08 0.41 0.00 0.00 173.24 173.46 3gkf h GLU 147 N -0.79 0.97 -0.77 12.44 4.81 -1.94 -3.07 114.58 126.23 3gkf h GLU 147 Ca -0.41 -0.15 -0.49 0.00 -0.13 0.00 0.00 59.36 58.18 3gkf h GLU 147 Cb 1.27 -0.17 -0.27 0.00 0.63 0.00 0.00 28.75 30.21 3gkf h GLU 147 CO 0.46 0.78 0.20 0.66 -0.73 0.00 0.00 179.01 180.38 3gkf n TYR 148 N -4.31 2.51 -0.16 0.92 4.01 -1.26 -4.68 117.16 114.19 3gkf n TYR 148 Ca 0.06 -2.26 0.00 0.00 -0.16 0.00 0.00 57.90 55.54 3gkf n TYR 148 Cb 0.16 -0.86 0.26 0.00 -0.31 0.00 0.00 39.34 38.59 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 1.59 0.87 0.04 -0.72 4.81 -1.66 -1.80 114.58 117.71 3gkf h GLU 149 Ca 0.46 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 3gkf h GLU 149 Cb 1.56 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.76 3gkf h GLU 149 CO 1.00 0.63 -0.02 1.25 -0.73 0.00 0.00 179.01 181.14 3gkf h HIS 150 N 0.88 -0.05 -0.93 0.92 2.76 -1.88 -2.16 115.15 114.70 3gkf h HIS 150 Ca 0.23 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.45 3gkf h HIS 150 Cb 0.01 0.02 -0.06 0.00 1.55 0.00 0.00 27.41 28.92 3gkf h HIS 150 CO 0.00 0.11 0.59 0.37 -1.30 0.00 0.00 177.93 177.71 3gkf h GLN 151 N -0.20 1.06 -0.86 5.26 5.75 -1.90 -1.45 115.11 122.77 3gkf h GLN 151 Ca -0.01 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3gkf h GLN 151 Cb 0.18 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 3gkf h GLN 151 CO 0.01 0.70 0.54 0.66 -2.65 0.00 0.00 178.83 178.09 3gkf h SER 152 N 1.09 1.01 -0.11 -0.69 4.64 -0.93 0.18 113.55 118.74 3gkf h SER 152 Ca 0.39 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.50 3gkf h SER 152 Cb 0.13 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3gkf h SER 152 CO -0.16 0.75 -0.60 0.40 -0.87 0.00 0.00 176.83 176.35 3gkf h ILE 153 N 1.17 1.34 -0.92 0.95 2.04 -0.90 -2.76 117.51 118.43 3gkf h ILE 153 Ca 0.31 -1.89 0.17 0.00 1.00 0.00 0.00 64.86 64.45 3gkf h ILE 153 Cb -0.09 2.16 -0.08 0.00 -0.74 0.00 0.00 36.82 38.08 3gkf h ILE 153 CO -0.06 0.58 0.59 0.11 0.00 0.00 0.00 178.15 179.37 3gkf h LYS 154 N 0.23 0.59 -0.10 2.37 1.57 -0.55 0.80 116.57 121.49 3gkf h LYS 154 Ca -0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3gkf h LYS 154 Cb 1.25 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 3gkf h LYS 154 CO 0.12 0.39 0.06 -0.91 -0.57 0.00 0.00 179.45 178.55 3gkf h ASN 155 N 0.61 0.11 -0.29 0.86 2.35 -0.39 0.11 115.58 118.95 3gkf h ASN 155 Ca 0.48 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.25 3gkf h ASN 155 Cb 0.90 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.22 3gkf h ASN 155 CO -0.23 0.08 0.12 0.40 -1.65 0.00 0.00 177.43 176.15 3gkf h ILE 156 N 0.13 0.96 -0.17 2.81 1.08 -0.79 -1.89 117.51 119.64 3gkf h ILE 156 Ca 0.04 -0.09 0.04 0.00 -0.39 0.00 0.00 64.86 64.46 3gkf h ILE 156 Cb -0.01 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 34.38 3gkf h ILE 156 CO -0.01 0.05 -0.07 0.40 -0.69 0.00 0.00 178.15 177.83 3gkf h ILE 157 N 0.26 0.77 -0.60 -0.67 2.04 -0.61 0.77 117.51 119.46 3gkf h ILE 157 Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 3gkf h ILE 157 Cb 0.07 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3gkf h ILE 157 CO -0.11 0.00 0.32 -0.61 0.00 0.00 0.00 178.15 177.75 3gkf h GLN 158 N -0.04 0.84 -0.07 2.37 4.15 -0.51 -0.08 115.11 121.76 3gkf h GLN 158 Ca 0.09 -0.09 -0.14 0.00 0.77 0.00 0.00 58.65 59.28 3gkf h GLN 158 Cb 0.17 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3gkf h GLN 158 CO -0.20 0.63 -0.58 -0.07 -1.93 0.00 0.00 178.83 176.68 3gkf h LEU 159 N 0.84 0.26 -0.45 -2.39 3.38 -0.47 -2.44 115.31 114.05 3gkf h LEU 159 Ca 0.21 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 3gkf h LEU 159 Cb 0.04 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3gkf h LEU 159 CO -0.03 0.79 -0.52 0.58 0.09 0.00 0.00 178.44 179.34 3gkf h VAL 160 N 0.18 1.30 -0.71 1.22 2.07 0.18 0.41 116.25 120.89 3gkf h VAL 160 Ca -0.00 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.79 3gkf h VAL 160 Cb 1.07 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 3gkf h VAL 160 CO 0.09 0.55 0.45 0.44 0.02 0.00 0.00 177.57 179.12 3gkf h ASP 161 N 0.55 0.84 -0.09 0.57 3.32 -0.93 -1.31 116.42 119.37 3gkf h ASP 161 Ca 0.02 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 3gkf h ASP 161 Cb 1.09 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 40.43 3gkf h ASP 161 CO 0.11 0.63 -0.41 0.00 -1.72 0.00 0.00 179.24 177.85 3gkf h ALA 162 N 1.24 0.17 -0.63 3.45 0.00 -1.27 -3.23 119.26 118.99 3gkf h ALA 162 Ca 0.26 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3gkf h ALA 162 Cb -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3gkf h ALA 162 CO -0.05 0.29 0.42 0.78 0.00 0.00 0.00 179.25 180.68 3gkf h GLY 163 N -0.01 0.88 1.80 0.00 0.00 0.06 -2.07 103.07 103.72 3gkf h GLY 163 Ca -0.03 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 3gkf h GLY 163 CO 0.09 0.32 -0.41 -0.33 0.00 0.00 0.00 176.54 176.20 3gkf h MET 164 N 0.84 0.23 0.00 4.80 2.07 -1.28 0.49 114.93 122.08 3gkf h MET 164 Ca 0.23 -0.11 -0.02 0.00 -2.07 0.00 0.00 59.70 57.74 3gkf h MET 164 Cb -0.08 -0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.65 3gkf h MET 164 CO -0.05 0.60 -0.08 0.87 1.07 0.00 0.00 176.91 179.32 3gkf h LYS 165 N 0.19 0.00 0.00 1.72 1.57 -1.39 -3.34 116.57 115.32 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 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3gkf h LYS 165 CO 0.06 0.08 0.00 1.55 -0.57 0.00 0.00 179.45 180.57 3gkf n VAL 166 N -3.83 0.00 -0.51 0.50 3.14 -0.17 -5.01 118.33 112.45 3gkf n VAL 166 Ca -0.02 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 3gkf n VAL 166 Cb 0.17 1.39 0.00 0.00 -1.06 0.00 0.00 33.84 34.34 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 0.04 0.70 3.51 7.55 0.00 0.16 -4.96 105.19 112.18 3gkf n GLY 167 Ca 0.00 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.91 3.56 0.68 1.61 0.00 -0.26 -3.82 119.30 120.16 3gkf s MET 168 Ca 0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 55.69 54.96 3gkf s MET 168 Cb 0.00 -3.68 0.01 0.00 0.00 0.00 0.00 34.83 31.16 3gkf s MET 168 CO 0.00 -0.36 1.14 -2.14 0.00 0.00 0.00 175.02 173.65 3gkf s PRO 169 N 1.70 2.59 -0.06 4.11 0.02 -1.26 -4.42 135.00 137.67 3gkf s PRO 169 Ca 0.06 1.50 0.05 0.00 0.02 0.00 0.00 61.00 62.63 3gkf s PRO 169 Cb -0.17 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.43 3gkf s PRO 169 CO 0.09 -1.43 -0.23 0.99 -0.33 0.00 0.00 177.00 176.09 3gkf s THR 170 N -2.23 2.20 -0.21 0.99 2.01 -1.26 -1.93 115.64 115.21 3gkf s THR 170 Ca 0.69 -1.01 -0.07 0.00 0.31 0.00 0.00 61.69 61.61 3gkf s THR 170 Cb -0.23 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 3gkf s THR 170 CO 0.43 0.57 0.05 -0.32 -0.69 0.00 0.00 174.62 174.65 3gkf s MET 171 N -0.14 3.77 -0.20 4.92 1.75 0.18 -1.35 119.30 128.24 3gkf s MET 171 Ca -0.04 -0.44 -0.10 0.00 -1.25 0.00 0.00 55.69 53.87 3gkf s MET 171 Cb -0.14 -3.22 -0.05 0.00 2.84 0.00 0.00 34.83 34.26 3gkf s MET 171 CO 0.04 0.05 0.12 0.00 -0.65 0.00 0.00 175.02 174.58 3gkf s ALA 172 N 0.96 3.63 -0.12 4.11 0.00 -0.08 -1.22 121.76 129.05 3gkf s ALA 172 Ca 0.03 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 3gkf s ALA 172 Cb -0.14 -2.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.81 3gkf s ALA 172 CO 0.03 0.13 -0.02 0.08 0.00 0.00 0.00 175.76 175.98 3gkf s VAL 173 N 0.43 4.11 -0.44 0.00 1.01 0.11 -0.57 120.40 125.06 3gkf s VAL 173 Ca 0.07 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 3gkf s VAL 173 Cb -0.11 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.53 3gkf s VAL 173 CO -0.01 0.55 0.61 0.42 0.00 0.00 0.00 175.10 176.67 3gkf s THR 174 N -0.25 4.86 0.09 3.92 -4.23 -0.79 0.35 115.64 119.60 3gkf s THR 174 Ca 0.05 0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 60.53 3gkf s THR 174 Cb -0.13 -4.19 -0.05 0.00 1.34 0.00 0.00 72.50 69.48 3gkf s THR 174 CO 0.02 -0.58 0.34 -0.83 -0.54 0.00 0.00 174.62 173.03 3gkf s GLY 175 N 1.99 2.25 0.00 3.99 0.00 0.07 -4.82 107.32 110.80 3gkf s GLY 175 Ca 0.21 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.37 3gkf s GLY 175 CO 0.18 -0.44 0.00 -0.62 0.00 0.00 0.00 173.10 172.22 3gkf n VAL 176 N 0.49 0.00 -2.33 1.40 0.31 -1.26 -4.43 118.33 112.52 3gkf n VAL 176 Ca -0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.24 3gkf n VAL 176 Cb 0.52 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.49 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 0.62 -4.11 5.55 0.63 -1.26 -5.06 116.66 113.04 3gkf n ARG 182 Ca 0.00 -0.86 -0.27 0.00 -0.92 0.00 0.00 57.85 55.80 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 -0.82 4.50 0.16 6.15 -4.77 -1.26 -4.98 116.67 115.64 3gkf s ASP 183 Ca 0.04 -1.24 -0.19 0.00 -3.30 0.00 0.00 52.55 47.86 3gkf s ASP 183 Cb 0.20 0.10 0.06 0.00 -1.09 0.00 0.00 42.92 42.20 3gkf s ASP 183 CO -0.06 -0.86 1.65 -0.61 0.70 0.00 0.00 175.17 176.00 3gkf h GLN 184 N 1.09 -0.10 -0.97 2.11 -0.00 -1.92 -1.64 115.11 113.68 3gkf h GLN 184 Ca -0.40 0.01 0.11 0.00 -0.00 0.00 0.00 58.65 58.37 3gkf h GLN 184 Cb 1.29 0.02 -0.08 0.00 0.00 0.00 0.00 27.48 28.71 3gkf h GLN 184 CO 0.64 -0.07 0.62 0.07 0.00 0.00 0.00 178.83 180.09 3gkf h ARG 185 N -0.10 0.93 0.37 1.69 0.11 -1.94 0.82 114.38 116.25 3gkf h ARG 185 Ca 0.17 -0.06 -0.02 0.00 0.10 0.00 0.00 59.98 60.17 3gkf h ARG 185 Cb 0.36 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 31.23 3gkf h ARG 185 CO -0.39 0.61 -0.18 -0.92 0.10 0.00 0.00 179.97 179.19 3gkf h TYR 186 N 0.96 -0.46 0.00 4.08 3.20 -1.72 -2.16 116.97 120.86 3gkf h TYR 186 Ca 0.47 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.30 3gkf h TYR 186 Cb 0.46 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 3gkf h TYR 186 CO -0.00 -0.20 -0.13 0.74 -1.64 0.00 0.00 178.16 176.93 3gkf h PHE 187 N -0.65 0.00 0.03 -3.82 0.04 -0.66 -1.15 116.94 110.72 3gkf h PHE 187 Ca -0.05 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 3gkf h PHE 187 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 3gkf h PHE 187 CO -0.01 0.13 -0.01 0.77 -0.60 0.00 0.00 178.31 178.58 3gkf h SER 188 N 0.00 -0.03 0.26 2.17 0.02 -0.75 0.30 113.55 115.52 3gkf h SER 188 Ca -0.00 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3gkf h SER 188 Cb 0.27 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 3gkf h SER 188 CO 0.02 0.07 -0.42 0.25 -1.14 0.00 0.00 176.83 175.61 3gkf h LEU 189 N -0.13 -1.18 -0.32 5.07 5.85 -0.59 -1.76 115.31 122.25 3gkf h LEU 189 Ca -0.00 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3gkf h LEU 189 Cb 0.12 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3gkf h LEU 189 CO 0.01 -0.53 0.20 0.00 -0.34 0.00 0.00 178.44 177.78 3gkf h ALA 190 N -0.34 0.40 -0.40 1.25 0.00 -1.13 -1.09 119.26 117.96 3gkf h ALA 190 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3gkf h ALA 190 Cb 0.71 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3gkf h ALA 190 CO -0.15 -0.11 0.10 1.79 0.00 0.00 0.00 179.25 180.88 3gkf h THR 191 N 0.42 1.23 -0.37 0.00 1.35 -0.38 -2.50 112.91 112.66 3gkf h THR 191 Ca 0.11 -0.78 -0.04 0.00 -0.55 0.00 0.00 66.41 65.16 3gkf h THR 191 Cb -0.01 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 3gkf h THR 191 CO -0.02 0.27 0.09 -0.09 -0.25 0.00 0.00 175.52 175.52 3gkf h ARG 192 N 0.50 0.59 -0.24 4.72 9.65 -1.11 0.22 114.38 128.71 3gkf h ARG 192 Ca 0.12 -0.14 0.03 0.00 -1.10 0.00 0.00 59.98 58.89 3gkf h ARG 192 Cb 0.31 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.78 3gkf h ARG 192 CO 0.00 0.63 0.06 0.82 2.80 0.00 0.00 179.97 184.28 3gkf h ILE 193 N 0.44 0.91 -0.09 1.20 2.04 -1.20 0.24 117.51 121.05 3gkf h ILE 193 Ca 0.11 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.95 3gkf h ILE 193 Cb 0.31 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3gkf h ILE 193 CO 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 178.15 178.09 3gkf h ALA 194 N 1.16 -0.02 -0.66 1.87 0.00 -1.13 0.86 119.26 121.35 3gkf h ALA 194 Ca 0.11 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3gkf h ALA 194 Cb 0.09 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3gkf h ALA 194 CO -0.13 -0.56 0.39 0.00 0.00 0.00 0.00 179.25 178.95 3gkf h ALA 195 N 0.95 0.84 -0.62 0.00 0.00 -0.63 -1.98 119.26 117.83 3gkf h ALA 195 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3gkf h ALA 195 Cb 0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3gkf h ALA 195 CO -0.16 0.33 0.32 1.49 0.00 0.00 0.00 179.25 181.23 3gkf h GLU 196 N 0.90 0.87 -0.74 0.00 4.57 -0.24 -1.28 114.58 118.65 3gkf h GLU 196 Ca 0.24 -0.11 0.10 0.00 -1.18 0.00 0.00 59.36 58.40 3gkf h GLU 196 Cb -0.01 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.37 3gkf h GLU 196 CO -0.04 0.67 0.49 0.52 -1.18 0.00 0.00 179.01 179.47 3gkf h MET 197 N 0.84 0.62 0.00 1.92 2.86 -0.13 -3.45 114.93 117.59 3gkf h MET 197 Ca 0.21 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3gkf h MET 197 Cb 0.07 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.59 3gkf h MET 197 CO -0.03 0.41 0.00 0.41 1.06 0.00 0.00 176.91 178.76 3gkf n GLY 198 N -1.47 -0.45 3.73 8.32 0.00 -0.49 -4.94 105.19 109.90 3gkf n GLY 198 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 3.64 0.10 4.61 0.00 -1.05 -4.85 121.76 124.21 3gkf s ALA 199 Ca 0.00 1.25 0.05 0.00 0.00 0.00 0.00 51.96 53.26 3gkf s ALA 199 Cb 0.00 -3.55 -0.22 0.00 0.00 0.00 0.00 23.12 19.34 3gkf s ALA 199 CO 0.00 -0.68 1.20 1.96 0.00 0.00 0.00 175.76 178.24 3gkf h GLN 200 N 5.94 0.05 -5.80 0.00 7.50 -1.55 -3.41 115.11 117.84 3gkf h GLN 200 Ca -0.44 -0.08 -0.64 0.00 0.50 0.00 0.00 58.65 57.99 3gkf h GLN 200 Cb 1.21 0.03 -0.31 0.00 0.05 0.00 0.00 27.48 28.46 3gkf h GLN 200 CO 0.83 1.00 -0.87 0.42 -1.50 0.00 0.00 178.83 178.71 3gkf s ILE 201 N -2.69 1.79 -0.11 2.54 1.01 -0.75 -3.74 121.20 119.25 3gkf s ILE 201 Ca -0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 3gkf s ILE 201 Cb 0.09 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 3gkf s ILE 201 CO 0.83 0.50 -0.07 -0.63 0.00 0.00 0.00 174.94 175.57 3gkf s ILE 202 N -0.15 3.63 -0.10 2.92 -1.09 -0.36 -0.90 121.20 125.14 3gkf s ILE 202 Ca -0.02 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 57.95 3gkf s ILE 202 Cb -0.12 -2.53 -0.01 0.00 -1.58 0.00 0.00 42.46 38.22 3gkf s ILE 202 CO 0.02 0.54 -0.19 -0.75 -1.23 0.00 0.00 174.94 173.33 3gkf s LYS 203 N -0.12 3.07 0.21 2.79 2.20 0.27 -0.70 119.74 127.45 3gkf s LYS 203 Ca 0.01 -0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 54.78 3gkf s LYS 203 Cb -0.13 -2.41 0.02 0.00 -1.51 0.00 0.00 37.83 33.79 3gkf s LYS 203 CO 0.03 0.26 0.35 -2.37 -0.36 0.00 0.00 175.35 173.25 3gkf n THR 204 N 3.35 0.00 -3.84 3.43 5.66 0.10 -1.89 114.28 121.10 3gkf n THR 204 Ca -0.18 -0.80 -0.27 0.00 -3.05 0.00 0.00 64.05 59.75 3gkf n THR 204 Cb 0.53 0.59 -0.03 0.00 -1.55 0.00 0.00 70.33 69.86 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 -4.47 3.49 0.41 1.09 2.02 -1.26 0.69 117.35 119.31 3gkf s TYR 205 Ca 0.13 0.23 -0.18 0.00 -0.37 0.00 0.00 57.07 56.88 3gkf s TYR 205 Cb -0.02 -1.76 -0.10 0.00 -0.40 0.00 0.00 41.96 39.69 3gkf s TYR 205 CO 0.09 0.47 0.89 -0.47 -1.57 0.00 0.00 175.55 174.96 3gkf s TYR 206 N -1.76 3.35 -0.04 2.71 5.04 -1.26 -4.93 117.35 120.46 3gkf s TYR 206 Ca 0.36 1.46 0.02 0.00 -2.44 0.00 0.00 57.07 56.47 3gkf s TYR 206 Cb -0.11 -2.74 0.01 0.00 0.35 0.00 0.00 41.96 39.47 3gkf s TYR 206 CO 0.28 -0.08 -0.08 0.08 -1.34 0.00 0.00 175.55 174.41 3gkf s VAL 207 N -2.18 0.77 0.37 3.14 1.01 -1.26 -5.04 120.40 117.21 3gkf s VAL 207 Ca 0.59 -0.30 0.13 0.00 0.00 0.00 0.00 61.98 62.40 3gkf s VAL 207 Cb -0.09 -0.72 0.09 0.00 0.00 0.00 0.00 36.38 35.66 3gkf s VAL 207 CO 0.17 0.26 1.83 -0.33 0.00 0.00 0.00 175.10 177.03 3gkf h GLU 208 N 6.79 0.00 -5.02 2.72 5.08 -1.97 -3.35 114.58 118.84 3gkf h GLU 208 Ca -0.35 -0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.35 3gkf h GLU 208 Cb 1.17 -0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.07 3gkf h GLU 208 CO 0.48 0.37 -0.86 0.21 -1.00 0.00 0.00 179.01 178.21 3gkf s LYS 209 N -4.21 2.91 0.00 2.33 2.20 -1.26 -4.80 119.74 116.92 3gkf s LYS 209 Ca -0.03 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 3gkf s LYS 209 Cb 0.14 -2.52 0.00 0.00 -1.51 0.00 0.00 37.83 33.95 3gkf s LYS 209 CO 0.73 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.91 3gkf n GLY 210 N 4.64 0.87 0.33 5.54 0.00 -1.26 -4.41 105.19 110.90 3gkf n GLY 210 Ca -0.21 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 0.23 -0.80 1.61 3.57 -1.87 -1.37 116.94 118.31 3gkf h PHE 211 Ca 0.00 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.52 3gkf h PHE 211 Cb 0.00 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 3gkf h PHE 211 CO 0.00 0.12 0.53 0.93 -2.23 0.00 0.00 178.31 177.66 3gkf h GLU 212 N 0.22 1.03 -0.59 1.11 5.08 -1.92 -1.15 114.58 118.36 3gkf h GLU 212 Ca 0.19 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 3gkf h GLU 212 Cb 0.47 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3gkf h GLU 212 CO -0.04 0.68 -0.00 0.00 -1.00 0.00 0.00 179.01 178.65 3gkf h ARG 213 N 1.06 1.04 0.06 2.33 3.08 -1.63 0.23 114.38 120.54 3gkf h ARG 213 Ca 0.30 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3gkf h ARG 213 Cb -0.07 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3gkf h ARG 213 CO -0.07 1.02 -0.03 0.82 -1.07 0.00 0.00 179.97 180.63 3gkf h ILE 214 N 0.95 0.95 -0.14 2.04 2.04 -1.17 0.11 117.51 122.29 3gkf h ILE 214 Ca 0.17 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 3gkf h ILE 214 Cb 0.55 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3gkf h ILE 214 CO 0.03 0.01 0.07 0.58 0.00 0.00 0.00 178.15 178.84 3gkf h VAL 215 N -0.09 1.12 -0.68 1.67 2.07 -1.09 -2.42 116.25 116.84 3gkf h VAL 215 Ca -0.01 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3gkf h VAL 215 Cb 0.07 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3gkf h VAL 215 CO 0.01 0.11 0.42 0.00 0.02 0.00 0.00 177.57 178.14 3gkf h ALA 216 N 0.94 1.46 0.00 1.67 0.00 -0.33 -1.15 119.26 121.85 3gkf h ALA 216 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gkf h ALA 216 Cb 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3gkf h ALA 216 CO -0.01 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.13 3gkf n GLY 217 N -1.35 -1.54 3.68 0.00 0.00 0.36 -4.74 105.19 101.60 3gkf n GLY 217 Ca 0.07 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3gkf n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n PRO 219 N 4.19 1.33 -4.36 0.00 -0.04 -1.26 -4.88 135.00 129.98 3gkf n PRO 219 Ca -0.13 -0.48 -0.18 0.00 -0.04 0.00 0.00 63.50 62.67 3gkf n PRO 219 Cb 0.52 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.99 0.68 0.45 0.52 -7.23 -1.26 -3.54 120.40 108.02 3gkf s VAL 220 Ca 0.42 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.34 3gkf s VAL 220 Cb 0.21 -2.65 -0.08 0.00 0.56 0.00 0.00 36.38 34.42 3gkf s VAL 220 CO 0.34 0.00 1.35 -2.65 -0.31 0.00 0.00 175.10 173.84 3gkf n PRO 221 N -0.54 2.03 -4.95 4.82 -0.02 -1.24 -4.78 135.00 130.32 3gkf n PRO 221 Ca -0.01 0.73 -0.32 0.00 -2.02 0.00 0.00 63.50 61.88 3gkf n PRO 221 Cb 0.66 -2.52 -0.15 0.00 -0.02 0.00 0.00 33.50 31.48 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 -1.21 2.78 0.00 4.25 1.01 -1.26 -1.23 121.20 125.54 3gkf s ILE 222 Ca 0.63 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 60.56 3gkf s ILE 222 Cb -0.47 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 3gkf s ILE 222 CO 0.56 0.56 -0.24 -0.69 0.00 0.00 0.00 174.94 175.13 3gkf s VAL 223 N -0.12 2.27 -0.04 2.92 1.01 0.12 0.48 120.40 127.03 3gkf s VAL 223 Ca -0.02 -1.16 -0.00 0.00 0.00 0.00 0.00 61.98 60.79 3gkf s VAL 223 Cb -0.14 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3gkf s VAL 223 CO 0.04 0.49 -0.01 0.27 0.00 0.00 0.00 175.10 175.89 3gkf s ILE 224 N -0.72 4.18 0.25 2.22 -4.36 -0.94 0.01 121.20 121.85 3gkf s ILE 224 Ca 0.11 -0.43 -0.11 0.00 -0.26 0.00 0.00 60.65 59.96 3gkf s ILE 224 Cb -0.10 -2.80 -0.08 0.00 1.25 0.00 0.00 42.46 40.73 3gkf s ILE 224 CO 0.01 0.50 0.59 0.00 0.24 0.00 0.00 174.94 176.28 3gkf s ALA 225 N -0.97 3.51 0.12 2.27 0.00 0.22 0.79 121.76 127.69 3gkf s ALA 225 Ca 0.16 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 3gkf s ALA 225 Cb -0.11 -2.51 -0.11 0.00 0.00 0.00 0.00 23.12 20.39 3gkf s ALA 225 CO 0.06 0.46 1.35 0.78 0.00 0.00 0.00 175.76 178.41 3gkf h GLY 226 N 2.44 0.87 0.00 0.00 0.00 -0.95 -3.40 103.07 102.04 3gkf h GLY 226 Ca -0.47 -1.15 0.00 0.00 0.00 0.00 0.00 47.33 45.71 3gkf h GLY 226 CO 0.68 1.03 0.00 0.61 0.00 0.00 0.00 176.54 178.86 3gkf n GLY 227 N 0.57 -1.16 3.72 4.60 0.00 -1.26 -4.91 105.19 106.75 3gkf n GLY 227 Ca -0.06 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 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 2.21 0.36 1.61 -2.85 -1.26 -4.45 119.74 115.37 3gkf s LYS 228 Ca 0.00 1.79 -0.28 0.00 -1.00 0.00 0.00 55.97 56.48 3gkf s LYS 228 Cb 0.00 -1.84 -0.11 0.00 -2.06 0.00 0.00 37.83 33.82 3gkf s LYS 228 CO 0.00 -1.79 1.51 0.21 0.10 0.00 0.00 175.35 175.38 3gkf s LYS 229 N -3.84 4.11 0.23 1.78 2.47 -1.26 -4.81 119.74 118.41 3gkf s LYS 229 Ca 0.75 2.58 0.05 0.00 -1.56 0.00 0.00 55.97 57.79 3gkf s LYS 229 Cb -0.30 -2.97 -0.05 0.00 -1.46 0.00 0.00 37.83 33.04 3gkf s LYS 229 CO 0.44 -0.56 -0.05 -0.51 0.16 0.00 0.00 175.35 174.84 3gkf s LEU 230 N -1.86 2.36 0.37 5.43 1.43 -1.26 -5.04 118.68 120.12 3gkf s LEU 230 Ca 0.54 -1.16 -0.28 0.00 -1.03 0.00 0.00 54.13 52.20 3gkf s LEU 230 Cb -0.47 -0.43 -0.11 0.00 0.03 0.00 0.00 46.19 45.21 3gkf s LEU 230 CO 0.61 -0.40 1.47 -0.81 0.23 0.00 0.00 176.35 177.45 3gkf n PRO 231 N -0.43 2.63 -0.14 1.29 -0.04 -1.26 -4.76 135.00 132.28 3gkf n PRO 231 Ca -0.06 0.92 -0.03 0.00 -0.04 0.00 0.00 63.50 64.29 3gkf n PRO 231 Cb 0.63 -2.64 0.05 0.00 -0.04 0.00 0.00 33.50 31.50 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 2.95 0.16 -0.80 0.54 3.07 -1.99 0.12 114.58 118.63 3gkf h GLU 232 Ca -0.50 -0.01 0.19 0.00 -0.50 0.00 0.00 59.36 58.54 3gkf h GLU 232 Cb 1.25 -0.04 -0.13 0.00 -0.84 0.00 0.00 28.75 28.99 3gkf h GLU 232 CO 0.64 0.10 0.17 -0.09 -1.40 0.00 0.00 179.01 178.43 3gkf h ARG 233 N 0.16 0.21 -0.35 2.33 1.12 -1.97 0.15 114.38 116.03 3gkf h ARG 233 Ca 0.23 -0.01 -0.14 0.00 -1.11 0.00 0.00 59.98 58.95 3gkf h ARG 233 Cb 0.32 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.22 3gkf h ARG 233 CO -0.34 0.14 -0.34 0.93 -3.11 0.00 0.00 179.97 177.25 3gkf h GLU 234 N 0.22 0.78 -0.20 0.20 5.08 -1.36 -2.05 114.58 117.25 3gkf h GLU 234 Ca 0.47 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3gkf h GLU 234 Cb 0.87 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3gkf h GLU 234 CO -0.60 1.00 0.03 0.00 -1.00 0.00 0.00 179.01 178.44 3gkf h ALA 235 N 0.97 0.26 -0.88 3.43 0.00 -0.39 -1.49 119.26 121.15 3gkf h ALA 235 Ca 0.07 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.88 3gkf h ALA 235 Cb 0.88 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 3gkf h ALA 235 CO 0.08 -0.07 0.54 -0.07 0.00 0.00 0.00 179.25 179.73 3gkf h LEU 236 N 0.12 0.83 -0.51 0.00 3.38 -0.74 0.20 115.31 118.59 3gkf h LEU 236 Ca 0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3gkf h LEU 236 Cb 0.31 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3gkf h LEU 236 CO 0.00 0.52 0.29 -0.08 0.09 0.00 0.00 178.44 179.26 3gkf h GLU 237 N 0.96 0.71 -0.37 1.13 4.22 -1.08 0.49 114.58 120.65 3gkf h GLU 237 Ca 0.40 -0.08 0.04 0.00 0.08 0.00 0.00 59.36 59.79 3gkf h GLU 237 Cb 0.23 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3gkf h GLU 237 CO -0.20 0.54 0.15 1.98 -2.18 0.00 0.00 179.01 179.31 3gkf h MET 238 N 0.69 0.31 -0.18 1.92 4.05 -0.35 0.17 114.93 121.54 3gkf h MET 238 Ca 0.18 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.63 3gkf h MET 238 Cb 0.03 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 30.71 3gkf h MET 238 CO -0.03 0.21 -0.16 0.00 0.23 0.00 0.00 176.91 177.15 3gkf h TRP 240 N -0.18 0.75 -0.34 0.00 7.01 0.80 -1.59 115.95 122.41 3gkf h TRP 240 Ca 0.11 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 3gkf h TRP 240 Cb 0.34 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 3gkf h TRP 240 CO -0.30 0.41 0.12 1.96 -2.79 0.00 0.00 178.44 177.84 3gkf h GLN 241 N 0.78 0.52 -0.09 2.65 1.08 -0.40 0.79 115.11 120.44 3gkf h GLN 241 Ca 0.28 -0.11 0.01 0.00 -1.45 0.00 0.00 58.65 57.38 3gkf h GLN 241 Cb 0.08 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3gkf h GLN 241 CO -0.13 0.54 0.01 0.00 -0.95 0.00 0.00 178.83 178.30 3gkf h ALA 242 N 0.96 0.08 0.01 3.87 0.00 -0.46 0.26 119.26 123.98 3gkf h ALA 242 Ca 0.11 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gkf h ALA 242 Cb 0.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3gkf h ALA 242 CO -0.01 -0.45 -0.00 0.82 0.00 0.00 0.00 179.25 179.61 3gkf h ILE 243 N 0.05 1.05 -0.69 0.00 1.08 -1.24 -1.12 117.51 116.63 3gkf h ILE 243 Ca 0.04 -0.17 0.17 0.00 -0.39 0.00 0.00 64.86 64.51 3gkf h ILE 243 Cb 0.04 1.16 -0.04 0.00 -3.07 0.00 0.00 36.82 34.91 3gkf h ILE 243 CO -0.06 0.04 0.48 -0.78 -0.69 0.00 0.00 178.15 177.15 3gkf h ASP 244 N -0.09 0.19 -0.56 1.72 3.58 -0.52 0.10 116.42 120.84 3gkf h ASP 244 Ca -0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3gkf h ASP 244 Cb 0.08 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.11 3gkf h ASP 244 CO 0.00 0.10 0.00 0.00 -2.88 0.00 0.00 179.24 176.46 3gkf n GLN 245 N -4.42 3.19 0.00 0.28 6.02 0.05 -4.92 117.38 117.58 3gkf n GLN 245 Ca 0.13 -2.40 0.00 0.00 -0.01 0.00 0.00 57.00 54.72 3gkf n GLN 245 Cb 0.62 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 30.13 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 1.09 1.01 3.76 1.08 0.00 0.35 -4.60 105.19 107.89 3gkf n GLY 246 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 2.53 -0.97 4.61 0.00 -0.49 -4.85 121.76 120.58 3gkf s ALA 247 Ca 0.00 0.79 0.21 0.00 0.00 0.00 0.00 51.96 52.96 3gkf s ALA 247 Cb 0.00 -3.38 -0.23 0.00 0.00 0.00 0.00 23.12 19.51 3gkf s ALA 247 CO 0.00 -1.14 0.88 0.43 0.00 0.00 0.00 175.76 175.93 3gkf n SER 248 N -1.86 0.97 -3.72 0.00 7.64 0.18 -4.61 113.62 112.22 3gkf n SER 248 Ca 0.12 -0.98 -0.03 0.00 1.01 0.00 0.00 58.87 58.99 3gkf n SER 248 Cb 0.51 1.01 -0.01 0.00 -1.01 0.00 0.00 64.21 64.70 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 -2.98 -0.27 0.02 0.23 0.00 -1.06 -1.13 107.32 102.14 3gkf s GLY 249 Ca 0.08 0.27 0.04 0.00 0.00 0.00 0.00 44.72 45.10 3gkf s GLY 249 CO 0.85 0.04 -0.11 -1.34 0.00 0.00 0.00 173.10 172.54 3gkf s VAL 250 N -3.13 0.88 -0.27 1.40 -7.23 -1.01 -2.21 120.40 108.83 3gkf s VAL 250 Ca 0.12 -0.80 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 3gkf s VAL 250 Cb -0.00 -0.80 0.06 0.00 0.56 0.00 0.00 36.38 36.20 3gkf s VAL 250 CO 0.01 0.01 -0.08 -0.62 -0.31 0.00 0.00 175.10 174.11 3gkf s ASP 251 N -0.88 4.54 -0.45 4.85 2.15 0.24 -1.91 116.67 125.20 3gkf s ASP 251 Ca 0.00 -1.44 -0.18 0.00 0.43 0.00 0.00 52.55 51.37 3gkf s ASP 251 Cb -0.07 -1.58 0.04 0.00 -0.30 0.00 0.00 42.92 41.01 3gkf s ASP 251 CO 0.01 -0.22 0.52 -0.04 -0.17 0.00 0.00 175.17 175.27 3gkf s MET 252 N 1.11 3.13 0.00 4.34 -1.94 -1.25 -0.25 119.30 124.44 3gkf s MET 252 Ca -0.07 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.14 3gkf s MET 252 Cb -0.20 -4.01 0.00 0.00 2.01 0.00 0.00 34.83 32.63 3gkf s MET 252 CO -0.05 -1.00 0.00 0.41 -0.01 0.00 0.00 175.02 174.37 3gkf n GLY 253 N 5.12 1.26 0.33 -0.03 0.00 -1.26 -4.00 105.19 106.60 3gkf n GLY 253 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 0.68 0.00 1.61 -0.00 -1.89 0.51 114.38 115.29 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 0.45 0.00 0.09 0.00 0.00 0.00 179.97 180.51 3gkf n ASN 255 N -4.82 0.00 0.00 7.04 3.02 -1.26 -1.28 115.26 117.96 3gkf n ASN 255 Ca 0.19 0.30 -0.02 0.00 -0.03 0.00 0.00 54.58 55.02 3gkf n ASN 255 Cb 0.46 -0.31 -0.01 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.31 0.79 0.28 2.41 5.41 0.17 -4.37 119.36 122.73 3gkf n ILE 256 Ca 0.01 0.26 0.14 0.00 1.00 0.00 0.00 62.75 64.15 3gkf n ILE 256 Cb 0.01 -1.55 0.81 0.00 -0.71 0.00 0.00 39.64 38.19 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 -0.18 0.00 0.00 1.39 -5.15 -1.36 -1.27 116.94 110.37 3gkf h PHE 257 Ca 0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 3gkf h PHE 257 Cb 0.18 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.35 3gkf h PHE 257 CO -0.08 0.08 -0.69 1.96 -2.00 0.00 0.00 178.31 177.58 3gkf h GLN 258 N 0.00 0.00 -7.05 6.09 4.20 -1.41 -3.47 115.11 113.47 3gkf h GLN 258 Ca -0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 3gkf h GLN 258 Cb 0.24 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.15 3gkf h GLN 258 CO 0.01 0.02 0.58 0.45 -0.67 0.00 0.00 178.83 179.21 3gkf s SER 259 N -5.66 5.33 0.52 1.46 0.15 -0.48 -4.88 113.70 110.14 3gkf s SER 259 Ca 0.02 2.67 0.29 0.00 0.70 0.00 0.00 55.95 59.63 3gkf s SER 259 Cb 0.08 -2.63 1.43 0.00 -1.71 0.00 0.00 66.02 63.19 3gkf s SER 259 CO 0.75 -1.52 2.04 0.44 1.20 0.00 0.00 173.24 176.15 3gkf h ASP 260 N 1.43 0.00 -2.30 5.45 3.32 -1.90 -3.30 116.42 119.12 3gkf h ASP 260 Ca -0.51 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.95 3gkf h ASP 260 Cb 1.30 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.44 3gkf h ASP 260 CO 0.57 0.12 -0.74 1.41 -1.72 0.00 0.00 179.24 178.87 3gkf n HIS 261 N -3.50 2.25 0.24 4.55 8.25 -1.26 -4.99 115.22 120.77 3gkf n HIS 261 Ca -0.01 -3.97 -0.15 0.00 -0.26 0.00 0.00 57.72 53.32 3gkf n HIS 261 Cb 0.26 -0.45 -0.08 0.00 1.12 0.00 0.00 29.99 30.84 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 4.44 -0.65 -0.88 -0.41 0.11 -1.78 -2.21 132.00 130.62 3gkf h PRO 262 Ca 0.17 0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.34 3gkf h PRO 262 Cb 0.75 0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.96 3gkf h PRO 262 CO 0.69 -0.43 0.58 0.28 -0.21 0.00 0.00 178.00 178.91 3gkf h VAL 263 N -0.67 1.20 -0.66 3.15 2.07 -1.94 0.34 116.25 119.75 3gkf h VAL 263 Ca -0.04 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.14 3gkf h VAL 263 Cb 0.57 -0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 3gkf h VAL 263 CO 0.01 0.21 0.36 0.00 0.02 0.00 0.00 177.57 178.17 3gkf h ALA 264 N 1.34 0.88 -0.43 1.67 0.00 -1.83 -2.22 119.26 118.67 3gkf h ALA 264 Ca 0.33 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.31 3gkf h ALA 264 Cb -0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3gkf h ALA 264 CO -0.08 0.02 0.19 1.98 0.00 0.00 0.00 179.25 181.36 3gkf h MET 265 N 0.66 0.37 -0.64 0.00 -1.53 -0.33 -1.96 114.93 111.50 3gkf h MET 265 Ca 0.30 -0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.53 3gkf h MET 265 Cb 0.20 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.14 3gkf h MET 265 CO -0.19 0.25 0.37 0.52 0.14 0.00 0.00 176.91 178.00 3gkf h MET 266 N 0.39 0.89 -0.11 0.39 2.86 -0.79 0.17 114.93 118.72 3gkf h MET 266 Ca 0.19 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3gkf h MET 266 Cb 0.14 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 3gkf h MET 266 CO -0.16 0.65 -0.16 0.87 1.06 0.00 0.00 176.91 179.16 3gkf h LYS 267 N 0.87 0.18 0.20 1.72 1.57 -1.19 0.62 116.57 120.54 3gkf h LYS 267 Ca 0.23 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3gkf h LYS 267 Cb 0.01 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3gkf h LYS 267 CO -0.04 0.35 -0.10 0.00 -0.57 0.00 0.00 179.45 179.09 3gkf h ALA 268 N 1.67 -0.27 -0.58 3.86 0.00 -0.02 -1.98 119.26 121.94 3gkf h ALA 268 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3gkf h ALA 268 Cb 0.40 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3gkf h ALA 268 CO 0.03 -0.63 0.24 0.28 0.00 0.00 0.00 179.25 179.17 3gkf h VAL 269 N -0.31 1.22 -0.89 0.00 2.07 0.09 -1.56 116.25 116.87 3gkf h VAL 269 Ca -0.03 -0.68 0.11 0.00 0.82 0.00 0.00 66.70 66.92 3gkf h VAL 269 Cb 0.24 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 3gkf h VAL 269 CO 0.04 0.27 0.52 1.56 0.02 0.00 0.00 177.57 179.98 3gkf h GLN 270 N 0.80 0.82 0.18 1.57 4.20 0.36 -0.15 115.11 122.87 3gkf h GLN 270 Ca 0.19 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 3gkf h GLN 270 Cb 0.18 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3gkf h GLN 270 CO -0.02 0.54 -0.08 0.00 -0.67 0.00 0.00 178.83 178.60 3gkf h ALA 271 N 1.50 -0.24 -0.21 3.87 0.00 -0.54 0.13 119.26 123.78 3gkf h ALA 271 Ca 0.44 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.24 3gkf h ALA 271 Cb 0.45 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3gkf h ALA 271 CO -0.27 -0.52 0.02 0.28 0.00 0.00 0.00 179.25 178.76 3gkf h VAL 272 N -0.47 0.88 0.31 0.00 2.07 -0.86 0.13 116.25 118.33 3gkf h VAL 272 Ca -0.02 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3gkf h VAL 272 Cb 0.36 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3gkf h VAL 272 CO 0.04 0.02 -0.15 0.58 0.02 0.00 0.00 177.57 178.08 3gkf h VAL 273 N 0.10 0.00 0.23 2.57 2.07 -0.90 -3.10 116.25 117.23 3gkf h VAL 273 Ca 0.10 -0.25 -0.33 0.00 0.82 0.00 0.00 66.70 67.03 3gkf h VAL 273 Cb 0.10 0.00 0.04 0.00 -1.52 0.00 0.00 31.29 29.91 3gkf h VAL 273 CO -0.14 0.00 -1.43 0.45 0.02 0.00 0.00 177.57 176.47 3gkf h HIS 274 N -0.67 0.99 -0.01 1.57 -0.00 -1.09 -3.38 115.15 112.57 3gkf h HIS 274 Ca -0.04 -0.71 0.00 0.00 -0.00 0.00 0.00 60.37 59.62 3gkf h HIS 274 Cb 0.32 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 3gkf h HIS 274 CO 0.06 1.55 -0.81 0.72 -0.00 0.00 0.00 177.93 179.45 3gkf n HIS 275 N -3.74 0.00 -0.83 2.45 8.25 -0.68 -4.97 115.22 115.70 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 1.08 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.19 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 -0.96 -0.73 -4.58 0.41 3.02 -0.05 -4.97 115.26 107.40 3gkf n ASN 276 Ca 0.06 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.22 3gkf n ASN 276 Cb 0.38 -0.12 0.04 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 -2.24 0.95 -1.91 3.52 -0.58 -1.01 -4.92 120.64 114.44 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 -2.02 0.02 0.00 -0.57 0.00 0.00 31.44 28.86 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 -1.49 4.08 0.22 2.62 -1.32 -1.26 -4.40 115.64 114.10 3gkf s THR 278 Ca 0.70 0.84 -0.09 0.00 -1.21 0.00 0.00 61.69 61.93 3gkf s THR 278 Cb -0.47 -3.49 0.22 0.00 -1.51 0.00 0.00 72.50 67.26 3gkf s THR 278 CO 0.52 -0.72 1.66 0.00 -2.21 0.00 0.00 174.62 173.86 3gkf h ALA 279 N 0.02 0.69 0.29 11.08 0.00 -1.91 -1.23 119.26 128.20 3gkf h ALA 279 Ca -0.45 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3gkf h ALA 279 Cb 1.21 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3gkf h ALA 279 CO 0.58 -0.39 -0.14 -0.44 0.00 0.00 0.00 179.25 178.86 3gkf h ASP 280 N 0.14 -0.33 -0.40 0.00 5.19 -1.97 0.15 116.42 119.20 3gkf h ASP 280 Ca 0.35 -0.04 0.07 0.00 -0.62 0.00 0.00 57.03 56.79 3gkf h ASP 280 Cb 0.59 0.09 -0.06 0.00 0.18 0.00 0.00 39.33 40.12 3gkf h ASP 280 CO -0.55 -0.17 0.01 0.03 -3.12 0.00 0.00 179.24 175.43 3gkf h ARG 281 N -0.47 0.11 -0.19 3.56 3.08 -1.87 0.14 114.38 118.73 3gkf h ARG 281 Ca -0.04 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.04 3gkf h ARG 281 Cb 0.36 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.31 3gkf h ARG 281 CO 0.07 0.07 -0.49 0.00 -1.07 0.00 0.00 179.97 178.55 3gkf h ALA 282 N 1.35 -0.73 -0.95 0.04 0.00 -0.64 0.36 119.26 118.70 3gkf h ALA 282 Ca 0.20 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.23 3gkf h ALA 282 Cb 0.28 0.93 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 3gkf h ALA 282 CO -0.32 -1.01 0.56 -0.92 0.00 0.00 0.00 179.25 177.56 3gkf h TYR 283 N -0.51 1.00 -0.14 0.00 -0.00 0.17 -0.80 116.97 116.69 3gkf h TYR 283 Ca 0.06 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.82 3gkf h TYR 283 Cb 0.65 -0.30 -0.01 0.00 -0.00 0.00 0.00 36.73 37.07 3gkf h TYR 283 CO -0.57 0.30 0.07 0.93 -0.00 0.00 0.00 178.16 178.90 3gkf h GLU 284 N 0.80 0.20 0.00 1.82 5.08 0.10 0.14 114.58 122.72 3gkf h GLU 284 Ca 0.51 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.83 3gkf h GLU 284 Cb 0.65 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3gkf h GLU 284 CO -0.33 0.23 -0.05 1.37 -1.00 0.00 0.00 179.01 179.23 3gkf h LEU 285 N 0.12 0.00 0.38 1.33 -0.00 -0.79 0.64 115.31 117.00 3gkf h LEU 285 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 3gkf h LEU 285 Cb 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.72 3gkf h LEU 285 CO -0.01 0.05 -0.49 0.22 -0.00 0.00 0.00 178.44 178.21 3gkf h TYR 286 N 0.00 -1.37 -0.75 0.17 3.20 0.68 0.26 116.97 119.15 3gkf h TYR 286 Ca -0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3gkf h TYR 286 Cb 0.27 0.55 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 3gkf h TYR 286 CO 0.00 -0.63 0.35 -0.07 -1.64 0.00 0.00 178.16 176.17 3gkf h LEU 287 N -0.91 0.99 -0.57 2.82 3.38 -0.36 -2.43 115.31 118.24 3gkf h LEU 287 Ca -0.04 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 57.90 3gkf h LEU 287 Cb 0.82 -0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.20 3gkf h LEU 287 CO -0.13 0.86 -0.26 -1.28 0.09 0.00 0.00 178.44 177.72 3gkf h SER 288 N 1.06 -0.90 0.96 -0.43 0.87 0.55 -2.83 113.55 112.83 3gkf h SER 288 Ca 0.26 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 3gkf h SER 288 Cb 0.14 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3gkf h SER 288 CO -0.03 -0.27 0.00 -0.62 -0.53 0.00 0.00 176.83 175.38 3gkf n GLU 289 N -5.43 0.11 0.00 2.24 -0.58 0.89 -5.06 120.64 112.81 3gkf n GLU 289 Ca 0.05 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 3gkf n GLU 289 Cb 0.34 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 3gkf n GLU 289 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28