#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 2.78 -0.25 1.61 1.02 -1.26 -5.11 119.74 118.53 3gkf s LYS 11 Ca 0.00 -0.57 0.01 0.00 0.02 0.00 0.00 55.97 55.42 3gkf s LYS 11 Cb 0.00 -2.65 0.04 0.00 -0.52 0.00 0.00 37.83 34.70 3gkf s LYS 11 CO 0.00 0.65 -0.10 0.34 -0.92 0.00 0.00 175.35 175.32 3gkf s ASP 12 N -1.24 4.28 0.00 2.83 2.15 -1.26 -4.96 116.67 118.47 3gkf s ASP 12 Ca 0.16 -1.14 0.26 0.00 0.43 0.00 0.00 52.55 52.27 3gkf s ASP 12 Cb -0.11 -1.59 0.72 0.00 -0.30 0.00 0.00 42.92 41.64 3gkf s ASP 12 CO 0.06 -0.16 1.56 0.49 -0.17 0.00 0.00 175.17 176.96 3gkf n PHE 13 N 4.55 0.01 -3.81 -5.34 3.72 -1.26 -4.96 117.46 110.36 3gkf n PHE 13 Ca -0.16 -0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.94 3gkf n PHE 13 Cb 0.45 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.00 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 0.62 -2.03 0.27 -1.08 3.00 -1.26 -4.80 116.66 111.38 3gkf n ARG 14 Ca 0.17 0.41 0.13 0.00 -0.00 0.00 0.00 57.85 58.57 3gkf n ARG 14 Cb 0.45 -4.18 0.73 0.00 0.00 0.00 0.00 32.46 29.46 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 -1.93 0.50 0.00 5.15 1.35 -2.02 -1.75 112.91 114.21 3gkf h THR 15 Ca -0.65 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 3gkf h THR 15 Cb 1.37 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3gkf h THR 15 CO 0.54 0.11 0.00 -0.90 -0.25 0.00 0.00 175.52 175.02 3gkf n ASP 16 N -3.57 0.46 -3.99 5.36 5.75 -1.26 -4.51 116.55 114.79 3gkf n ASP 16 Ca -0.02 0.59 -0.31 0.00 -0.01 0.00 0.00 54.79 55.04 3gkf n ASP 16 Cb 0.24 -0.69 -0.15 0.00 -1.03 0.00 0.00 41.12 39.49 3gkf n ASP 16 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3gkf s GLN 17 N -3.15 1.87 0.05 0.11 0.74 -0.66 -5.11 119.66 113.51 3gkf s GLN 17 Ca 0.08 -1.13 -0.21 0.00 0.05 0.00 0.00 55.36 54.15 3gkf s GLN 17 Cb 0.11 -2.71 -0.06 0.00 1.10 0.00 0.00 33.01 31.45 3gkf s GLN 17 CO 0.43 -0.59 0.61 -1.25 -0.55 0.00 0.00 175.29 173.94 3gkf s PRO 18 N 1.28 4.29 0.31 1.67 0.04 -1.26 -4.92 135.00 136.41 3gkf s PRO 18 Ca -0.07 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 61.46 3gkf s PRO 18 Cb -0.19 -3.28 -0.12 0.00 0.04 0.00 0.00 34.50 30.95 3gkf s PRO 18 CO -0.06 0.52 1.56 0.94 0.04 0.00 0.00 177.00 180.00 3gkf n GLN 19 N 2.12 2.66 -4.24 4.56 7.27 -1.26 -5.00 117.38 123.49 3gkf n GLN 19 Ca -0.08 0.94 -0.17 0.00 0.07 0.00 0.00 57.00 57.75 3gkf n GLN 19 Cb 0.51 -2.70 -0.13 0.00 2.41 0.00 0.00 30.24 30.32 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 -0.90 0.74 -0.12 3.69 2.20 -1.26 -5.13 119.74 118.97 3gkf s LYS 20 Ca 0.62 -0.66 -0.24 0.00 -0.36 0.00 0.00 55.97 55.33 3gkf s LYS 20 Cb -0.50 -0.68 -0.03 0.00 -1.51 0.00 0.00 37.83 35.11 3gkf s LYS 20 CO 0.52 0.16 0.74 -0.80 -0.36 0.00 0.00 175.35 175.62 3gkf s ASN 21 N -1.08 6.94 -0.13 1.43 -0.87 -1.26 -5.02 114.94 114.94 3gkf s ASN 21 Ca -0.01 1.14 -0.29 0.00 -1.57 0.00 0.00 52.86 52.12 3gkf s ASN 21 Cb -0.07 -2.42 -0.02 0.00 -0.02 0.00 0.00 41.25 38.71 3gkf s ASN 21 CO 0.01 -0.24 1.29 -0.63 -2.57 0.00 0.00 177.10 174.96 3gkf s ILE 22 N 1.44 4.19 0.57 0.60 1.09 -1.26 -5.00 121.20 122.83 3gkf s ILE 22 Ca 0.37 1.46 -0.20 0.00 -1.10 0.00 0.00 60.65 61.18 3gkf s ILE 22 Cb -0.17 -3.94 -0.04 0.00 -1.06 0.00 0.00 42.46 37.25 3gkf s ILE 22 CO 0.15 -0.10 1.25 -2.84 -0.10 0.00 0.00 174.94 173.31 3gkf s PRO 23 N 3.23 3.04 -0.32 2.79 0.02 -1.26 -5.01 135.00 137.49 3gkf s PRO 23 Ca 0.57 1.96 -0.08 0.00 0.02 0.00 0.00 61.00 63.47 3gkf s PRO 23 Cb -0.24 -2.05 0.02 0.00 0.02 0.00 0.00 34.50 32.25 3gkf s PRO 23 CO 0.18 -1.18 0.12 0.12 -0.33 0.00 0.00 177.00 175.90 3gkf s PHE 24 N -1.48 3.20 -0.57 6.54 5.36 -1.26 -5.00 117.98 124.77 3gkf s PHE 24 Ca 0.75 -1.09 0.23 0.00 -0.96 0.00 0.00 56.93 55.86 3gkf s PHE 24 Cb -0.34 -2.30 0.08 0.00 -0.34 0.00 0.00 43.02 40.12 3gkf s PHE 24 CO 0.38 -0.63 1.05 0.25 -1.46 0.00 0.00 175.22 174.81 3gkf n THR 25 N 4.88 0.22 -1.55 0.12 -2.24 -1.26 -4.57 114.28 109.88 3gkf n THR 25 Ca -0.13 -0.28 -0.50 0.00 -2.27 0.00 0.00 64.05 60.87 3gkf n THR 25 Cb 0.47 0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.04 1.12 -4.63 3.22 7.94 -1.26 -4.70 117.00 116.64 3gkf n LEU 26 Ca 0.02 1.14 -0.43 0.00 -1.11 0.00 0.00 56.01 55.63 3gkf n LEU 26 Cb 0.45 -1.15 -0.03 0.00 0.53 0.00 0.00 43.42 43.22 3gkf n LEU 26 CO 0.40 -1.49 1.64 -0.75 -1.11 0.00 0.00 177.39 176.08 3gkf s LYS 27 N -0.30 3.71 -0.08 1.96 2.20 -1.26 -1.97 119.74 124.01 3gkf s LYS 27 Ca 0.76 2.21 0.00 0.00 -0.36 0.00 0.00 55.97 58.57 3gkf s LYS 27 Cb -0.92 -4.21 0.00 0.00 -1.51 0.00 0.00 37.83 31.19 3gkf s LYS 27 CO 0.53 -1.43 0.00 0.41 -0.36 0.00 0.00 175.35 174.49 3gkf n GLY 28 N 4.99 0.47 0.72 5.54 0.00 -1.23 -3.58 105.19 112.10 3gkf n GLY 28 Ca 0.23 -0.21 0.04 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 -1.13 -1.47 1.45 0.00 0.00 -1.26 -3.95 105.19 98.82 3gkf n GLY 30 Ca 0.23 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.51 4.46 -2.65 4.61 0.00 -1.26 -4.94 120.51 119.21 3gkf n ALA 31 Ca 0.07 -3.59 -0.25 0.00 0.00 0.00 0.00 53.44 49.67 3gkf n ALA 31 Cb 0.34 -0.33 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -3.45 3.25 0.83 0.00 1.43 -1.25 -5.11 118.68 114.38 3gkf s LEU 32 Ca 0.46 -0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 3gkf s LEU 32 Cb 0.39 -1.84 0.09 0.00 0.03 0.00 0.00 46.19 44.87 3gkf s LEU 32 CO -0.01 0.04 1.11 -0.62 0.23 0.00 0.00 176.35 177.11 3gkf s ASP 33 N -3.33 3.84 0.15 2.29 2.15 -1.26 -4.71 116.67 115.81 3gkf s ASP 33 Ca 0.29 1.96 -0.20 0.00 0.43 0.00 0.00 52.55 55.03 3gkf s ASP 33 Cb -0.08 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 40.06 3gkf s ASP 33 CO 0.19 -2.48 1.65 -0.25 -0.17 0.00 0.00 175.17 174.11 3gkf h TRP 34 N -1.44 -0.43 -0.70 -5.34 7.01 -1.99 -0.03 115.95 113.03 3gkf h TRP 34 Ca -0.44 0.03 0.06 0.00 2.11 0.00 0.00 58.89 60.66 3gkf h TRP 34 Cb 1.25 0.23 -0.06 0.00 -2.10 0.00 0.00 29.16 28.48 3gkf h TRP 34 CO 0.54 -0.25 0.40 0.78 -2.79 0.00 0.00 178.44 177.13 3gkf h GLY 35 N -0.14 1.04 1.13 2.65 0.00 -1.92 0.40 103.07 106.22 3gkf h GLY 35 Ca 0.15 -0.28 -0.16 0.00 0.00 0.00 0.00 47.33 47.04 3gkf h GLY 35 CO -0.37 0.17 -0.38 1.98 0.00 0.00 0.00 176.54 177.94 3gkf h MET 36 N 0.73 0.95 -0.10 4.80 1.85 -1.48 -0.77 114.93 120.91 3gkf h MET 36 Ca 0.31 -0.49 -0.04 0.00 -0.61 0.00 0.00 59.70 58.87 3gkf h MET 36 Cb 0.19 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.23 3gkf h MET 36 CO -0.18 1.15 -0.13 1.96 -0.40 0.00 0.00 176.91 179.31 3gkf h GLN 37 N 0.77 0.15 -0.26 0.39 4.20 -0.29 -1.90 115.11 118.16 3gkf h GLN 37 Ca 0.06 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 3gkf h GLN 37 Cb 0.97 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 3gkf h GLN 37 CO 0.09 0.29 -0.03 1.03 -0.67 0.00 0.00 178.83 179.54 3gkf h SER 38 N 0.14 0.49 -0.45 1.46 0.87 0.27 -1.03 113.55 115.31 3gkf h SER 38 Ca 0.03 -0.34 -0.06 0.00 -1.23 0.00 0.00 61.79 60.19 3gkf h SER 38 Cb 0.32 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3gkf h SER 38 CO 0.02 0.71 0.04 0.03 -0.53 0.00 0.00 176.83 177.10 3gkf h ARG 39 N 0.25 0.76 -0.57 2.24 3.08 -0.67 -1.71 114.38 117.76 3gkf h ARG 39 Ca 0.07 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3gkf h ARG 39 Cb 0.48 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3gkf h ARG 39 CO 0.02 0.80 0.36 -0.07 -1.07 0.00 0.00 179.97 180.01 3gkf h LEU 40 N 0.61 0.66 -1.18 3.04 3.38 -1.35 -1.63 115.31 118.84 3gkf h LEU 40 Ca 0.13 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3gkf h LEU 40 Cb 0.43 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3gkf h LEU 40 CO 0.01 0.49 -0.35 0.28 0.09 0.00 0.00 178.44 178.97 3gkf h SER 41 N 0.78 0.00 -0.64 -0.43 0.02 -0.52 0.21 113.55 112.96 3gkf h SER 41 Ca 0.21 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.08 3gkf h SER 41 Cb -0.06 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3gkf h SER 41 CO -0.04 0.35 0.11 0.03 -1.14 0.00 0.00 176.83 176.14 3gkf h ARG 42 N 0.00 1.06 0.04 3.45 3.08 -0.43 -3.32 114.38 118.25 3gkf h ARG 42 Ca -0.00 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 3gkf h ARG 42 Cb 0.75 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3gkf h ARG 42 CO 0.05 0.98 -0.02 0.82 -1.07 0.00 0.00 179.97 180.73 3gkf h ILE 43 N 0.98 1.34 -3.67 2.04 2.04 -1.07 -3.44 117.51 115.73 3gkf h ILE 43 Ca 0.20 -1.71 -0.63 0.00 1.00 0.00 0.00 64.86 63.71 3gkf h ILE 43 Cb 0.43 2.40 -0.17 0.00 -0.74 0.00 0.00 36.82 38.75 3gkf h ILE 43 CO 0.01 0.40 -0.54 -0.36 0.00 0.00 0.00 178.15 177.67 3gkf s PHE 44 N -2.84 3.23 0.14 1.37 0.08 0.66 -4.52 117.98 116.11 3gkf s PHE 44 Ca -0.15 0.05 -0.31 0.00 0.12 0.00 0.00 56.93 56.63 3gkf s PHE 44 Cb -0.01 -2.28 -0.11 0.00 -0.57 0.00 0.00 43.02 40.05 3gkf s PHE 44 CO 0.58 -0.08 1.82 -1.71 -0.10 0.00 0.00 175.22 175.73 3gkf n ASN 45 N 4.58 4.08 -0.29 1.36 2.85 -0.10 -4.45 115.26 123.29 3gkf n ASN 45 Ca -0.15 1.00 -0.05 0.00 -0.11 0.00 0.00 54.58 55.27 3gkf n ASN 45 Cb 0.52 -1.56 0.07 0.00 1.24 0.00 0.00 39.78 40.05 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 1.08 0.55 1.20 0.11 -1.90 2.81 132.00 144.11 3gkf h PRO 46 Ca -0.46 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 65.53 3gkf h PRO 46 Cb 1.22 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3gkf h PRO 46 CO 0.95 0.77 -0.32 0.87 -0.21 0.00 0.00 178.00 180.06 3gkf h LYS 47 N 1.08 -0.79 0.00 1.05 1.79 -1.98 -3.31 116.57 114.42 3gkf h LYS 47 Ca 0.28 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 3gkf h LYS 47 Cb -0.03 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 3gkf h LYS 47 CO -0.05 -0.52 -1.12 0.25 -1.08 0.00 0.00 179.45 176.93 3gkf n THR 48 N -5.46 0.08 -2.35 -0.16 -2.24 -1.14 -4.98 114.28 98.03 3gkf n THR 48 Ca -0.12 -0.18 -0.16 0.00 -2.27 0.00 0.00 64.05 61.31 3gkf n THR 48 Cb 0.35 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 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 1.41 -0.30 3.20 3.38 0.00 0.94 -4.97 105.19 108.85 3gkf n GLY 49 Ca 0.02 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.86 1.07 0.00 1.61 1.02 -1.20 -4.78 119.74 112.61 3gkf s LYS 50 Ca 0.02 -1.48 -0.04 0.00 0.02 0.00 0.00 55.97 54.48 3gkf s LYS 50 Cb -0.01 0.27 -0.01 0.00 -0.52 0.00 0.00 37.83 37.57 3gkf s LYS 50 CO 0.02 -0.34 0.07 -0.08 -0.92 0.00 0.00 175.35 174.11 3gkf s THR 51 N -4.08 0.08 -0.28 2.17 -1.32 -0.10 -0.92 115.64 111.19 3gkf s THR 51 Ca 0.29 -0.68 -0.05 0.00 -1.21 0.00 0.00 61.69 60.04 3gkf s THR 51 Cb 0.07 -0.33 0.01 0.00 -1.51 0.00 0.00 72.50 70.74 3gkf s THR 51 CO 0.06 -0.37 0.04 -0.69 -2.21 0.00 0.00 174.62 171.44 3gkf s VAL 52 N -1.22 3.62 -0.15 5.08 1.01 -1.26 -2.33 120.40 125.16 3gkf s VAL 52 Ca -0.13 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 3gkf s VAL 52 Cb -0.08 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3gkf s VAL 52 CO 0.00 0.11 -0.04 -0.32 0.00 0.00 0.00 175.10 174.86 3gkf s MET 53 N 1.44 3.65 -0.49 2.72 0.00 -0.81 -0.63 119.30 125.18 3gkf s MET 53 Ca 0.02 -0.52 -0.13 0.00 0.00 0.00 0.00 55.69 55.06 3gkf s MET 53 Cb -0.17 -2.90 0.11 0.00 0.00 0.00 0.00 34.83 31.87 3gkf s MET 53 CO 0.00 0.26 0.40 -1.17 0.00 0.00 0.00 175.02 174.51 3gkf s LEU 54 N 0.31 5.80 -0.24 4.11 2.96 -0.03 -3.95 118.68 127.65 3gkf s LEU 54 Ca -0.04 -1.71 -0.10 0.00 -0.22 0.00 0.00 54.13 52.06 3gkf s LEU 54 Cb -0.14 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 3gkf s LEU 54 CO 0.03 -0.73 0.13 0.00 -1.32 0.00 0.00 176.35 174.47 3gkf s ALA 55 N 1.51 3.49 -0.38 5.97 0.00 -1.26 -1.71 121.76 129.38 3gkf s ALA 55 Ca 0.04 -0.93 0.11 0.00 0.00 0.00 0.00 51.96 51.18 3gkf s ALA 55 Cb -0.27 -2.24 0.43 0.00 0.00 0.00 0.00 23.12 21.05 3gkf s ALA 55 CO 0.02 -0.23 1.02 1.97 0.00 0.00 0.00 175.76 178.54 3gkf n PHE 56 N 4.37 2.26 1.05 0.00 1.16 0.83 -4.71 117.46 122.42 3gkf n PHE 56 Ca -0.15 -3.01 0.12 0.00 -1.87 0.00 0.00 57.45 52.54 3gkf n PHE 56 Cb 0.52 -0.25 0.14 0.00 -1.61 0.00 0.00 39.48 38.28 3gkf n PHE 56 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 3gkf n ASP 57 N -0.25 2.78 0.32 5.98 5.75 -1.23 -4.51 116.55 125.39 3gkf n ASP 57 Ca 0.24 -1.91 0.20 0.00 -0.01 0.00 0.00 54.79 53.31 3gkf n ASP 57 Cb 0.73 0.03 1.09 0.00 -1.03 0.00 0.00 41.12 41.94 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 4.31 0.00 0.00 2.11 -0.00 -1.92 0.27 115.15 119.92 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 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.34 3gkf h HIS 58 CO 0.00 0.00 0.27 0.78 -0.00 0.00 0.00 177.93 178.98 3gkf h GLY 59 N 0.00 0.00 1.34 2.45 0.00 -1.79 -1.79 103.07 103.27 3gkf h GLY 59 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 3gkf h GLY 59 CO -0.00 0.00 0.27 0.10 0.00 0.00 0.00 176.54 176.91 3gkf h TYR 60 N 0.00 0.85 0.00 5.60 -0.00 -1.23 -2.21 116.97 119.99 3gkf h TYR 60 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 58.73 58.69 3gkf h TYR 60 Cb 0.55 -0.27 0.00 0.00 0.00 0.00 0.00 36.73 37.01 3gkf h TYR 60 CO 0.00 0.64 0.00 1.97 -0.00 0.00 0.00 178.16 180.77 3gkf n PHE 61 N -4.34 0.00 0.29 0.10 1.16 -1.12 -4.72 117.46 108.83 3gkf n PHE 61 Ca 0.05 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.67 3gkf n PHE 61 Cb 0.15 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.97 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 -0.36 3.46 0.00 3.97 6.02 -0.69 -1.83 117.38 127.95 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 0.01 -0.94 0.00 0.00 1.02 0.00 0.00 30.24 30.33 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 1.38 -0.50 3.42 1.08 0.00 -0.84 -4.30 105.19 105.42 3gkf n GLY 63 Ca 0.01 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 3gkf n GLY 63 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gkf n PRO 64 N 0.00 2.28 -1.07 1.61 -0.02 -1.26 -4.02 135.00 132.53 3gkf n PRO 64 Ca 0.00 -2.68 -0.33 0.00 -2.02 0.00 0.00 63.50 58.47 3gkf n PRO 64 Cb 0.00 -3.49 0.13 0.00 -0.02 0.00 0.00 33.50 30.12 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 6.76 1.83 -1.69 3.45 -1.04 -1.26 -4.68 114.28 117.65 3gkf n THR 65 Ca 0.48 -0.19 -0.44 0.00 -2.04 0.00 0.00 64.05 61.86 3gkf n THR 65 Cb 0.45 -1.16 -0.04 0.00 -1.82 0.00 0.00 70.33 67.76 3gkf n THR 65 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3gkf n THR 66 N -3.37 0.24 0.00 12.58 -1.04 -1.26 -1.29 114.28 120.14 3gkf n THR 66 Ca 0.13 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3gkf n THR 66 Cb 0.51 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.10 3gkf n THR 66 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gkf n GLY 67 N 4.00 2.43 0.82 3.41 0.00 -1.26 -4.78 105.19 109.80 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 3.26 -0.08 0.99 4.77 -0.41 -4.63 117.00 120.89 3gkf n LEU 68 Ca 0.00 -2.11 -0.07 0.00 -0.03 0.00 0.00 56.01 53.81 3gkf n LEU 68 Cb 0.00 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 3gkf n LEU 68 CO 0.00 0.77 0.81 -0.33 -1.33 0.00 0.00 177.39 177.31 3gkf h GLU 69 N 2.45 -0.00 -3.07 3.23 3.07 -1.79 -3.32 114.58 115.16 3gkf h GLU 69 Ca 0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.24 3gkf h GLU 69 Cb 0.87 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 28.37 3gkf h GLU 69 CO 0.03 -0.00 -0.71 1.03 -1.40 0.00 0.00 179.01 177.96 3gkf s ARG 70 N -6.21 1.53 0.25 2.33 1.81 -1.26 -4.94 118.95 112.46 3gkf s ARG 70 Ca -0.14 -2.26 -0.03 0.00 -1.72 0.00 0.00 55.73 51.58 3gkf s ARG 70 Cb 0.12 -2.62 0.45 0.00 -0.45 0.00 0.00 34.95 32.45 3gkf s ARG 70 CO 0.70 -1.17 1.80 0.82 -0.68 0.00 0.00 175.30 176.77 3gkf h ILE 71 N 5.22 0.87 0.00 1.52 1.08 -1.88 -0.46 117.51 123.85 3gkf h ILE 71 Ca -0.00 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 3gkf h ILE 71 Cb 0.90 0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.68 3gkf h ILE 71 CO 0.55 0.14 -0.05 -2.24 -0.69 0.00 0.00 178.15 175.86 3gkf h ASP 72 N 0.78 0.00 0.00 1.72 2.03 -1.92 -0.75 116.42 118.28 3gkf h ASP 72 Ca 0.42 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 56.48 3gkf h ASP 72 Cb 0.44 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.91 3gkf h ASP 72 CO -0.27 0.05 -1.75 -0.38 -1.03 0.00 0.00 179.24 175.85 3gkf n ILE 73 N -4.10 1.21 0.02 4.15 5.41 -0.90 -4.13 119.36 121.02 3gkf n ILE 73 Ca -0.03 -0.15 -0.12 0.00 1.00 0.00 0.00 62.75 63.45 3gkf n ILE 73 Cb 0.13 -1.88 -0.08 0.00 -0.71 0.00 0.00 39.64 37.10 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 -0.74 0.01 0.32 4.38 -1.24 -1.16 -3.36 115.58 113.80 3gkf h ASN 74 Ca -0.38 -0.18 -0.22 0.00 0.71 0.00 0.00 56.30 56.23 3gkf h ASN 74 Cb 1.25 -0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.26 3gkf h ASN 74 CO -0.23 0.18 -1.87 -0.38 -1.29 0.00 0.00 177.43 173.84 3gkf n ILE 75 N -5.00 1.10 -0.28 2.57 2.08 -0.38 -4.36 119.36 115.09 3gkf n ILE 75 Ca -0.07 -0.73 0.07 0.00 0.56 0.00 0.00 62.75 62.57 3gkf n ILE 75 Cb 0.11 -0.55 0.21 0.00 -0.75 0.00 0.00 39.64 38.66 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 1.33 1.18 0.00 -1.39 0.00 -1.46 0.56 119.26 119.48 3gkf h ALA 76 Ca -0.28 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3gkf h ALA 76 Cb 1.76 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 3gkf h ALA 76 CO 0.04 -0.17 -0.02 -1.35 0.00 0.00 0.00 179.25 177.75 3gkf h PRO 77 N 0.51 0.00 0.00 0.00 0.10 -1.76 -3.12 132.00 127.73 3gkf h PRO 77 Ca 0.45 0.00 -0.05 0.00 0.10 0.00 0.00 66.00 66.50 3gkf h PRO 77 Cb 0.67 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 31.77 3gkf h PRO 77 CO -0.40 0.02 -0.24 -0.07 0.10 0.00 0.00 178.00 177.41 3gkf h LEU 78 N 0.00 0.00 -0.16 2.35 3.38 -0.09 -3.38 115.31 117.41 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 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3gkf h LEU 78 CO 0.00 0.24 -0.12 -0.26 0.09 0.00 0.00 178.44 178.39 3gkf h PHE 79 N 0.00 -0.31 0.00 1.13 0.04 -1.53 -2.22 116.94 114.06 3gkf h PHE 79 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3gkf h PHE 79 Cb 1.14 0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.45 3gkf h PHE 79 CO 0.00 -0.19 0.16 1.05 -0.60 0.00 0.00 178.31 178.74 3gkf h GLU 80 N -0.13 0.00 -0.69 1.51 4.11 -1.83 0.10 114.58 117.64 3gkf h GLU 80 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 3gkf h GLU 80 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3gkf h GLU 80 CO -0.24 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.56 3gkf n HIS 81 N -2.94 1.27 -4.26 2.06 8.25 -0.83 -4.91 115.22 113.85 3gkf n HIS 81 Ca -0.02 -0.55 -0.31 0.00 -0.26 0.00 0.00 57.72 56.58 3gkf n HIS 81 Cb 0.22 -0.14 -0.09 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.48 3.14 0.02 -1.41 0.00 0.02 -4.88 121.76 117.16 3gkf s ALA 82 Ca 0.50 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.17 3gkf s ALA 82 Cb 0.30 -1.13 -0.21 0.00 0.00 0.00 0.00 23.12 22.08 3gkf s ALA 82 CO 0.29 0.66 1.16 -0.44 0.00 0.00 0.00 175.76 177.42 3gkf h ASP 83 N 3.89 0.53 -4.15 0.00 3.32 -1.17 -3.47 116.42 115.37 3gkf h ASP 83 Ca -0.48 -0.69 -0.19 0.00 0.02 0.00 0.00 57.03 55.68 3gkf h ASP 83 Cb 1.17 -0.16 -0.25 0.00 0.22 0.00 0.00 39.33 40.31 3gkf h ASP 83 CO 0.56 1.15 -0.62 0.54 -1.72 0.00 0.00 179.24 179.14 3gkf s VAL 84 N -3.47 0.03 0.03 -1.35 0.11 -1.09 -4.14 120.40 110.53 3gkf s VAL 84 Ca -0.13 -0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 58.64 3gkf s VAL 84 Cb 0.04 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.67 3gkf s VAL 84 CO 0.81 -0.14 0.20 -0.76 -3.33 0.00 0.00 175.10 171.88 3gkf s LEU 85 N -0.43 4.36 -0.12 2.54 1.43 0.36 -0.85 118.68 125.97 3gkf s LEU 85 Ca -0.05 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3gkf s LEU 85 Cb -0.03 -2.80 0.04 0.00 0.03 0.00 0.00 46.19 43.43 3gkf s LEU 85 CO 0.00 0.21 -0.01 -0.32 0.23 0.00 0.00 176.35 176.46 3gkf s MET 86 N -2.23 0.89 0.33 1.70 -2.45 -0.69 -0.12 119.30 116.72 3gkf s MET 86 Ca 0.31 -0.18 -0.05 0.00 -1.25 0.00 0.00 55.69 54.52 3gkf s MET 86 Cb -0.13 -1.52 0.02 0.00 1.25 0.00 0.00 34.83 34.45 3gkf s MET 86 CO 0.23 -0.41 0.52 0.00 1.05 0.00 0.00 175.02 176.42 3gkf s THR 88 N -2.61 4.21 0.30 0.00 -4.23 -1.26 -1.18 115.64 110.86 3gkf s THR 88 Ca 0.23 0.43 0.14 0.00 -1.18 0.00 0.00 61.69 61.31 3gkf s THR 88 Cb -0.02 -3.68 0.07 0.00 1.34 0.00 0.00 72.50 70.21 3gkf s THR 88 CO 0.16 -0.80 1.74 0.08 -0.54 0.00 0.00 174.62 175.27 3gkf h ARG 89 N -0.25 0.00 -0.02 3.99 0.11 -1.97 -0.19 114.38 116.05 3gkf h ARG 89 Ca -0.45 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.63 3gkf h ARG 89 Cb 1.22 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.30 3gkf h ARG 89 CO 0.62 0.45 0.00 0.78 0.10 0.00 0.00 179.97 181.92 3gkf h GLY 90 N 1.56 0.03 1.05 0.08 0.00 -1.96 -1.67 103.07 102.16 3gkf h GLY 90 Ca -0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 3gkf h GLY 90 CO 0.06 0.02 -0.00 -2.22 0.00 0.00 0.00 176.54 174.40 3gkf h ILE 91 N -0.25 1.26 -0.33 2.60 1.08 -1.89 -2.61 117.51 117.37 3gkf h ILE 91 Ca 0.01 -1.12 0.01 0.00 -0.39 0.00 0.00 64.86 63.37 3gkf h ILE 91 Cb 0.29 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 3gkf h ILE 91 CO 0.00 0.40 0.21 0.25 -0.69 0.00 0.00 178.15 178.32 3gkf h LEU 92 N 0.85 0.35 -0.44 1.44 5.85 -0.87 0.30 115.31 122.79 3gkf h LEU 92 Ca 0.16 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 3gkf h LEU 92 Cb 0.54 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3gkf h LEU 92 CO 0.03 0.25 -0.12 0.03 -0.34 0.00 0.00 178.44 178.29 3gkf h ARG 93 N 0.43 0.87 -0.01 1.25 3.08 -1.24 -2.82 114.38 115.94 3gkf h ARG 93 Ca 0.13 -0.34 -0.18 0.00 0.07 0.00 0.00 59.98 59.66 3gkf h ARG 93 Cb -0.03 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 29.99 3gkf h ARG 93 CO -0.04 0.98 -0.69 0.66 -1.07 0.00 0.00 179.97 179.80 3gkf h SER 94 N 0.70 0.62 0.00 7.04 4.64 -1.13 -3.41 113.55 122.01 3gkf h SER 94 Ca 0.11 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 3gkf h SER 94 Cb 0.67 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3gkf h SER 94 CO 0.05 1.29 0.00 1.33 -0.87 0.00 0.00 176.83 178.63 3gkf n VAL 95 N -4.14 0.13 -3.69 0.95 0.24 0.07 -4.97 118.33 106.92 3gkf n VAL 95 Ca -0.10 -0.23 -0.37 0.00 -2.04 0.00 0.00 64.34 61.60 3gkf n VAL 95 Cb 0.71 1.33 -0.12 0.00 -1.47 0.00 0.00 33.84 34.30 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 -0.13 4.78 0.12 3.34 1.01 -1.06 -4.68 120.40 123.77 3gkf s VAL 96 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 3gkf s VAL 96 Cb 0.00 -3.25 -0.08 0.00 0.00 0.00 0.00 36.38 33.05 3gkf s VAL 96 CO 0.00 0.31 1.37 -2.84 0.00 0.00 0.00 175.10 173.94 3gkf s PRO 97 N 1.62 4.33 0.40 2.72 0.02 -1.26 -4.73 135.00 138.11 3gkf s PRO 97 Ca 0.07 2.06 0.13 0.00 0.02 0.00 0.00 61.00 63.27 3gkf s PRO 97 Cb -0.15 -3.25 0.96 0.00 0.02 0.00 0.00 34.50 32.08 3gkf s PRO 97 CO 0.07 -0.41 1.92 -1.35 -0.33 0.00 0.00 177.00 176.90 3gkf h PRO 98 N 6.63 0.50 0.00 5.54 0.11 -1.95 0.70 132.00 143.53 3gkf h PRO 98 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gkf h PRO 98 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gkf h PRO 98 CO 0.85 0.33 0.00 0.00 -0.21 0.00 0.00 178.00 178.97 3gkf n ALA 99 N -2.49 1.83 0.28 -0.75 0.00 -1.26 -2.33 120.51 115.78 3gkf n ALA 99 Ca 0.14 -0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.70 3gkf n ALA 99 Cb 0.47 -1.23 0.95 0.00 0.00 0.00 0.00 19.45 19.64 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 0.28 -6.08 0.00 2.02 -1.23 -3.45 112.91 104.45 3gkf h THR 100 Ca 0.00 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.72 3gkf h THR 100 Cb 0.13 0.88 -0.09 0.00 -1.74 0.00 0.00 68.15 67.33 3gkf h THR 100 CO 0.00 0.00 -0.71 -3.20 0.37 0.00 0.00 175.52 171.98 3gkf n ASN 101 N -3.47 -4.16 -4.31 4.18 5.15 -0.98 -4.87 115.26 106.80 3gkf n ASN 101 Ca -0.01 -0.70 -0.28 0.00 -0.60 0.00 0.00 54.58 52.99 3gkf n ASN 101 Cb 0.23 -3.37 -0.14 0.00 -0.53 0.00 0.00 39.78 35.96 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 -6.48 1.59 0.39 1.20 6.06 -1.26 -5.11 118.95 115.34 3gkf s ARG 102 Ca 0.59 -1.06 -0.27 0.00 -2.50 0.00 0.00 55.73 52.49 3gkf s ARG 102 Cb -0.31 -1.77 -0.10 0.00 0.06 0.00 0.00 34.95 32.83 3gkf s ARG 102 CO 0.73 0.45 1.43 -2.14 -2.50 0.00 0.00 175.30 173.27 3gkf s PRO 103 N -1.29 4.05 0.06 5.12 0.02 -1.26 -4.80 135.00 136.90 3gkf s PRO 103 Ca 0.10 2.45 0.10 0.00 0.02 0.00 0.00 61.00 63.66 3gkf s PRO 103 Cb -0.10 -2.90 -0.03 0.00 0.02 0.00 0.00 34.50 31.49 3gkf s PRO 103 CO 0.02 -0.53 -0.26 0.14 -0.33 0.00 0.00 177.00 176.04 3gkf s VAL 104 N -1.15 2.20 -0.36 3.83 -7.23 -1.26 -0.49 120.40 115.94 3gkf s VAL 104 Ca 0.54 -1.46 -0.07 0.00 -1.81 0.00 0.00 61.98 59.19 3gkf s VAL 104 Cb -0.44 -1.88 0.05 0.00 0.56 0.00 0.00 36.38 34.67 3gkf s VAL 104 CO 0.59 0.31 0.14 -0.69 -0.31 0.00 0.00 175.10 175.14 3gkf s VAL 105 N -0.86 3.84 0.06 1.32 1.01 0.82 -0.89 120.40 125.71 3gkf s VAL 105 Ca 0.12 -1.24 -0.31 0.00 0.00 0.00 0.00 61.98 60.55 3gkf s VAL 105 Cb -0.10 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 3gkf s VAL 105 CO 0.03 -0.27 1.29 -0.76 0.00 0.00 0.00 175.10 175.38 3gkf s LEU 106 N 1.39 4.36 -0.07 3.92 1.43 -0.26 -3.31 118.68 126.14 3gkf s LEU 106 Ca -0.00 2.12 -0.30 0.00 -1.03 0.00 0.00 54.13 54.92 3gkf s LEU 106 Cb -0.20 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 3gkf s LEU 106 CO 0.02 -0.57 1.35 -0.60 0.23 0.00 0.00 176.35 176.79 3gkf s ARG 107 N 1.31 4.27 -0.08 1.70 6.06 -0.33 0.02 118.95 131.90 3gkf s ARG 107 Ca 0.61 1.84 0.12 0.00 -2.50 0.00 0.00 55.73 55.81 3gkf s ARG 107 Cb -0.32 -3.69 0.19 0.00 0.06 0.00 0.00 34.95 31.19 3gkf s ARG 107 CO 0.29 -0.63 1.10 0.00 -2.50 0.00 0.00 175.30 173.56 3gkf n ALA 108 N 5.96 2.16 -2.50 6.12 0.00 0.45 -4.51 120.51 128.19 3gkf n ALA 108 Ca 0.13 -2.06 -0.25 0.00 0.00 0.00 0.00 53.44 51.27 3gkf n ALA 108 Cb 0.44 -0.25 -0.10 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.22 3.66 0.00 0.00 1.04 -1.20 0.13 113.70 115.12 3gkf s SER 109 Ca 0.21 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.55 3gkf s SER 109 Cb 0.18 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.97 3gkf s SER 109 CO 0.02 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.79 3gkf n GLY 110 N -0.70 -0.57 1.82 7.32 0.00 -0.18 -4.65 105.19 108.23 3gkf n GLY 110 Ca -0.05 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.65 4.61 0.00 -1.26 -0.10 120.51 121.12 3gkf n ALA 111 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3gkf n ALA 111 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.16 4.88 0.25 0.00 4.22 -1.23 -4.76 114.94 116.13 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 -0.96 -0.05 0.00 1.28 0.00 0.00 41.25 41.51 3gkf s ASN 112 CO 0.00 -0.11 -0.00 -0.94 -2.04 0.00 0.00 177.10 174.01 3gkf s SER 113 N -3.78 1.98 0.00 3.54 1.04 -1.26 -4.41 113.70 110.80 3gkf s SER 113 Ca 0.34 -1.23 0.27 0.00 0.48 0.00 0.00 55.95 55.80 3gkf s SER 113 Cb -0.06 -0.02 1.56 0.00 0.10 0.00 0.00 66.02 67.60 3gkf s SER 113 CO 0.22 -0.51 1.94 2.30 0.98 0.00 0.00 173.24 178.17 3gkf n ILE 114 N -0.46 0.02 1.21 -1.02 -5.35 -0.76 -2.76 119.36 110.24 3gkf n ILE 114 Ca -0.05 0.01 0.13 0.00 -0.27 0.00 0.00 62.75 62.57 3gkf n ILE 114 Cb 0.64 -0.59 0.29 0.00 -1.74 0.00 0.00 39.64 38.24 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 -1.04 1.54 0.00 7.28 4.77 -1.26 -4.96 117.00 123.33 3gkf n LEU 115 Ca 0.19 -0.49 -0.08 0.00 -0.03 0.00 0.00 56.01 55.60 3gkf n LEU 115 Cb 0.11 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3gkf n LEU 115 CO 0.16 0.28 -0.00 0.00 -1.33 0.00 0.00 177.39 176.49 3gkf n ALA 116 N -0.16 0.17 -1.67 -1.18 0.00 -1.11 -5.10 120.51 111.45 3gkf n ALA 116 Ca 0.13 -0.84 -0.46 0.00 0.00 0.00 0.00 53.44 52.27 3gkf n ALA 116 Cb 0.40 0.68 -0.04 0.00 0.00 0.00 0.00 19.45 20.49 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 -0.28 2.22 -0.09 0.00 4.07 -1.26 -4.71 120.64 120.59 3gkf n GLU 117 Ca 0.02 0.80 -0.04 0.00 -0.06 0.00 0.00 57.16 57.89 3gkf n GLU 117 Cb 0.27 -2.59 0.17 0.00 -0.06 0.00 0.00 31.44 29.23 3gkf n GLU 117 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3gkf h LEU 118 N 6.52 0.72 -0.05 4.31 5.85 -1.96 -3.09 115.31 127.60 3gkf h LEU 118 Ca -0.45 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.09 3gkf h LEU 118 Cb 1.25 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3gkf h LEU 118 CO 0.90 0.81 -0.01 -1.54 -0.34 0.00 0.00 178.44 178.27 3gkf n SER 119 N -4.21 0.09 -4.13 1.25 3.41 -1.26 -4.55 113.62 104.21 3gkf n SER 119 Ca 0.02 -0.80 -0.43 0.00 -0.26 0.00 0.00 58.87 57.41 3gkf n SER 119 Cb 0.31 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3gkf n SER 119 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gkf n ASN 120 N -1.02 4.52 -4.68 4.04 5.15 -1.17 -4.55 115.26 117.55 3gkf n ASN 120 Ca 0.21 -2.91 -0.27 0.00 -0.60 0.00 0.00 54.58 51.01 3gkf n ASN 120 Cb 0.16 -1.67 -0.07 0.00 -0.53 0.00 0.00 39.78 37.67 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 3.17 2.48 0.22 1.20 2.02 -1.26 -3.56 118.70 122.97 3gkf s GLU 121 Ca 0.49 -1.07 0.03 0.00 0.02 0.00 0.00 54.97 54.44 3gkf s GLU 121 Cb 0.08 -2.40 -0.05 0.00 0.10 0.00 0.00 34.13 31.86 3gkf s GLU 121 CO -0.01 0.46 -0.01 0.00 0.02 0.00 0.00 175.26 175.73 3gkf s ALA 122 N -1.73 1.72 0.25 5.21 0.00 0.86 -4.75 121.76 123.32 3gkf s ALA 122 Ca 0.28 -1.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.21 3gkf s ALA 122 Cb -0.09 0.48 -0.11 0.00 0.00 0.00 0.00 23.12 23.40 3gkf s ALA 122 CO 0.19 -0.25 1.52 0.08 0.00 0.00 0.00 175.76 177.30 3gkf s VAL 123 N -3.46 2.41 -0.93 0.00 1.01 -1.26 -1.01 120.40 117.16 3gkf s VAL 123 Ca 0.27 0.34 0.09 0.00 0.00 0.00 0.00 61.98 62.67 3gkf s VAL 123 Cb 0.06 -3.21 0.15 0.00 0.00 0.00 0.00 36.38 33.37 3gkf s VAL 123 CO 0.08 0.05 0.99 0.00 0.00 0.00 0.00 175.10 176.21 3gkf n ALA 124 N 2.52 2.32 -3.53 5.51 0.00 0.34 -4.80 120.51 122.87 3gkf n ALA 124 Ca 0.08 -0.83 -0.11 0.00 0.00 0.00 0.00 53.44 52.58 3gkf n ALA 124 Cb 0.39 -0.32 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.87 -0.42 0.40 0.00 0.05 -1.25 -4.91 118.68 111.69 3gkf s LEU 125 Ca 0.14 0.24 -0.20 0.00 0.05 0.00 0.00 54.13 54.36 3gkf s LEU 125 Cb 0.08 2.07 -0.11 0.00 -2.05 0.00 0.00 46.19 46.19 3gkf s LEU 125 CO 0.12 -0.54 0.91 -0.94 -0.55 0.00 0.00 176.35 175.34 3gkf s SER 126 N -1.84 6.92 0.48 1.48 1.04 -1.26 -4.91 113.70 115.62 3gkf s SER 126 Ca 0.00 1.62 0.17 0.00 0.48 0.00 0.00 55.95 58.22 3gkf s SER 126 Cb -0.01 -2.51 1.18 0.00 0.10 0.00 0.00 66.02 64.78 3gkf s SER 126 CO -0.03 -0.32 2.05 -0.03 0.98 0.00 0.00 173.24 175.89 3gkf h MET 127 N 2.03 0.19 -0.51 4.02 4.05 -1.97 -0.78 114.93 121.96 3gkf h MET 127 Ca -0.49 -0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.02 3gkf h MET 127 Cb 1.18 -0.04 -0.10 0.00 -0.80 0.00 0.00 31.60 31.84 3gkf h MET 127 CO 0.62 0.13 -0.16 0.22 0.23 0.00 0.00 176.91 177.95 3gkf h ASP 128 N 0.19 -0.57 0.37 1.39 3.58 -1.97 0.31 116.42 119.72 3gkf h ASP 128 Ca 0.17 0.16 -0.20 0.00 0.42 0.00 0.00 57.03 57.59 3gkf h ASP 128 Cb 0.43 0.35 -0.00 0.00 1.72 0.00 0.00 39.33 41.82 3gkf h ASP 128 CO -0.03 -0.20 -0.82 -0.78 -2.88 0.00 0.00 179.24 174.53 3gkf h ASP 129 N -0.04 0.43 -0.58 2.28 3.58 -1.56 -1.69 116.42 118.84 3gkf h ASP 129 Ca 0.24 -0.31 0.05 0.00 0.42 0.00 0.00 57.03 57.43 3gkf h ASP 129 Cb 0.41 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.28 3gkf h ASP 129 CO -0.55 1.08 0.30 0.00 -2.88 0.00 0.00 179.24 177.20 3gkf h ALA 130 N 0.90 0.76 -0.55 -0.78 0.00 -0.31 0.79 119.26 120.07 3gkf h ALA 130 Ca -0.05 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3gkf h ALA 130 Cb 1.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3gkf h ALA 130 CO 0.14 -0.04 0.00 0.28 0.00 0.00 0.00 179.25 179.64 3gkf h VAL 131 N 0.58 1.26 0.00 0.00 2.07 -0.35 -1.92 116.25 117.88 3gkf h VAL 131 Ca 0.26 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 3gkf h VAL 131 Cb 0.17 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3gkf h VAL 131 CO -0.18 0.39 -0.12 -0.09 0.02 0.00 0.00 177.57 177.59 3gkf h ARG 132 N 0.87 0.00 -0.44 1.57 2.43 -0.22 -1.22 114.38 117.37 3gkf h ARG 132 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3gkf h ARG 132 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3gkf h ARG 132 CO 0.02 0.12 0.00 1.28 -1.51 0.00 0.00 179.97 179.89 3gkf n LEU 133 N -4.11 2.77 -3.68 3.80 4.77 0.14 -4.95 117.00 115.74 3gkf n LEU 133 Ca -0.02 -1.31 -0.24 0.00 -0.03 0.00 0.00 56.01 54.41 3gkf n LEU 133 Cb 0.21 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 41.06 3gkf n LEU 133 CO 0.33 0.66 0.13 -3.20 -1.33 0.00 0.00 177.39 173.98 3gkf n ASN 134 N 1.02 -4.23 -4.78 -1.43 5.15 -0.46 -4.94 115.26 105.59 3gkf n ASN 134 Ca 0.18 -0.67 -0.33 0.00 -0.60 0.00 0.00 54.58 53.16 3gkf n ASN 134 Cb 0.46 -4.56 0.03 0.00 -0.53 0.00 0.00 39.78 35.19 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 -3.69 5.39 0.19 1.20 0.01 -0.94 -4.76 113.70 111.10 3gkf s SER 135 Ca 0.40 1.97 0.19 0.00 1.31 0.00 0.00 55.95 59.82 3gkf s SER 135 Cb -0.19 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 3gkf s SER 135 CO 0.77 -1.44 1.08 0.00 0.41 0.00 0.00 173.24 174.07 3gkf s ALA 137 N -3.12 -1.86 0.04 0.00 0.00 -1.22 -4.07 121.76 111.53 3gkf s ALA 137 Ca 0.00 0.60 0.08 0.00 0.00 0.00 0.00 51.96 52.64 3gkf s ALA 137 Cb 0.08 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 3gkf s ALA 137 CO 0.78 -0.92 -0.23 0.14 0.00 0.00 0.00 175.76 175.53 3gkf s VAL 138 N -2.98 1.87 0.06 0.00 -7.23 -0.77 -1.10 120.40 110.26 3gkf s VAL 138 Ca 0.11 -1.24 0.07 0.00 -1.81 0.00 0.00 61.98 59.11 3gkf s VAL 138 Cb 0.00 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 3gkf s VAL 138 CO -0.02 0.31 -0.20 0.00 -0.31 0.00 0.00 175.10 174.88 3gkf s ALA 139 N -0.76 1.74 0.06 1.32 0.00 0.10 -0.33 121.76 123.88 3gkf s ALA 139 Ca 0.09 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 3gkf s ALA 139 Cb -0.09 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.73 3gkf s ALA 139 CO 0.01 0.37 0.23 0.00 0.00 0.00 0.00 175.76 176.38 3gkf s ALA 140 N -0.91 -0.45 -0.04 0.00 0.00 -0.51 0.17 121.76 120.02 3gkf s ALA 140 Ca 0.07 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.63 3gkf s ALA 140 Cb -0.09 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 3gkf s ALA 140 CO 0.02 -0.42 0.37 -0.65 0.00 0.00 0.00 175.76 175.08 3gkf s GLN 141 N -2.91 3.92 -0.01 0.00 -1.52 -1.26 -0.93 119.66 116.95 3gkf s GLN 141 Ca -0.02 0.32 0.04 0.00 -1.95 0.00 0.00 55.36 53.74 3gkf s GLN 141 Cb 0.00 -3.25 -0.03 0.00 -0.22 0.00 0.00 33.01 29.51 3gkf s GLN 141 CO -0.06 0.62 -0.10 0.54 -0.25 0.00 0.00 175.29 176.04 3gkf s VAL 142 N -0.79 3.39 -0.57 1.09 0.11 0.13 -4.76 120.40 119.00 3gkf s VAL 142 Ca 0.22 -0.79 0.07 0.00 -2.93 0.00 0.00 61.98 58.55 3gkf s VAL 142 Cb -0.16 -2.43 0.26 0.00 -1.53 0.00 0.00 36.38 32.52 3gkf s VAL 142 CO 0.11 0.45 0.70 -1.22 -3.33 0.00 0.00 175.10 171.81 3gkf n TYR 143 N 1.80 2.58 -1.73 1.54 4.01 -1.26 -0.77 117.16 123.33 3gkf n TYR 143 Ca -0.16 -3.99 -0.41 0.00 -0.16 0.00 0.00 57.90 53.18 3gkf n TYR 143 Cb 0.52 -0.50 0.01 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 0.94 2.66 0.00 -0.72 2.08 -1.26 -1.83 119.36 121.22 3gkf n ILE 144 Ca 0.28 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 63.09 3gkf n ILE 144 Cb 0.44 -1.68 0.00 0.00 -0.75 0.00 0.00 39.64 37.65 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 0.71 2.99 3.95 7.39 0.00 -1.26 -4.94 105.19 114.03 3gkf n GLY 145 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.44 3.96 0.27 1.61 0.01 -0.76 -4.97 113.70 112.38 3gkf s SER 146 Ca 0.00 0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.41 3gkf s SER 146 Cb 0.00 -0.47 0.37 0.00 0.21 0.00 0.00 66.02 66.13 3gkf s SER 146 CO 0.00 -2.16 1.77 -0.08 0.41 0.00 0.00 173.24 173.19 3gkf h GLU 147 N -1.03 0.75 -0.83 12.44 4.81 -1.94 -3.03 114.58 125.75 3gkf h GLU 147 Ca -0.42 -0.20 -0.55 0.00 -0.13 0.00 0.00 59.36 58.06 3gkf h GLU 147 Cb 1.27 -0.09 -0.30 0.00 0.63 0.00 0.00 28.75 30.26 3gkf h GLU 147 CO 0.46 0.76 0.25 0.66 -0.73 0.00 0.00 179.01 180.41 3gkf n TYR 148 N -4.22 2.75 0.10 0.92 4.01 -1.26 -4.67 117.16 114.79 3gkf n TYR 148 Ca 0.02 -2.45 0.02 0.00 -0.16 0.00 0.00 57.90 55.33 3gkf n TYR 148 Cb 0.29 -0.95 0.37 0.00 -0.31 0.00 0.00 39.34 38.74 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 0.27 0.18 -0.72 4.81 -1.66 -1.79 114.58 117.42 3gkf h GLU 149 Ca 0.49 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 3gkf h GLU 149 Cb 1.39 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.74 3gkf h GLU 149 CO 1.13 0.41 -0.08 1.25 -0.73 0.00 0.00 179.01 180.99 3gkf h HIS 150 N 0.25 -0.22 -0.93 0.92 2.76 -1.87 -2.53 115.15 113.53 3gkf h HIS 150 Ca 0.05 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.27 3gkf h HIS 150 Cb 0.41 0.07 -0.06 0.00 1.55 0.00 0.00 27.41 29.38 3gkf h HIS 150 CO 0.01 0.05 0.61 0.37 -1.30 0.00 0.00 177.93 177.67 3gkf h GLN 151 N -0.48 1.07 -0.74 5.26 5.75 -1.89 -1.55 115.11 122.52 3gkf h GLN 151 Ca -0.02 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 3gkf h GLN 151 Cb 0.37 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 3gkf h GLN 151 CO 0.04 0.71 0.36 0.66 -2.65 0.00 0.00 178.83 177.94 3gkf h SER 152 N 1.10 0.96 -0.10 -0.69 4.64 -1.06 0.40 113.55 118.81 3gkf h SER 152 Ca 0.39 -0.11 -0.16 0.00 -0.47 0.00 0.00 61.79 61.44 3gkf h SER 152 Cb 0.13 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3gkf h SER 152 CO -0.14 0.81 -0.56 0.40 -0.87 0.00 0.00 176.83 176.47 3gkf h ILE 153 N 1.06 1.36 -1.00 0.95 2.04 -0.99 -2.61 117.51 118.32 3gkf h ILE 153 Ca 0.26 -1.88 0.21 0.00 1.00 0.00 0.00 64.86 64.45 3gkf h ILE 153 Cb 0.11 2.20 -0.10 0.00 -0.74 0.00 0.00 36.82 38.29 3gkf h ILE 153 CO -0.03 0.57 0.62 0.11 0.00 0.00 0.00 178.15 179.41 3gkf h LYS 154 N 0.17 0.61 -0.29 2.37 1.57 -0.96 0.29 116.57 120.33 3gkf h LYS 154 Ca -0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3gkf h LYS 154 Cb 1.21 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 3gkf h LYS 154 CO 0.12 0.40 0.14 -0.91 -0.57 0.00 0.00 179.45 178.63 3gkf h ASN 155 N 0.62 0.37 -0.26 0.86 2.35 -0.57 0.58 115.58 119.54 3gkf h ASN 155 Ca 0.57 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 56.20 3gkf h ASN 155 Cb 1.09 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 3gkf h ASN 155 CO -0.35 0.39 0.16 0.40 -1.65 0.00 0.00 177.43 176.39 3gkf h ILE 156 N 0.33 1.09 -0.30 2.81 1.08 -0.64 -1.94 117.51 119.94 3gkf h ILE 156 Ca 0.10 -0.19 0.07 0.00 -0.39 0.00 0.00 64.86 64.44 3gkf h ILE 156 Cb 0.11 0.75 -0.07 0.00 -3.07 0.00 0.00 36.82 34.54 3gkf h ILE 156 CO -0.01 0.08 -0.16 0.40 -0.69 0.00 0.00 178.15 177.78 3gkf h ILE 157 N 0.34 0.53 -0.42 -0.67 2.04 -0.16 -0.19 117.51 118.98 3gkf h ILE 157 Ca 0.09 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 3gkf h ILE 157 Cb -0.00 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 3gkf h ILE 157 CO -0.02 0.00 0.12 -0.61 0.00 0.00 0.00 178.15 177.65 3gkf h GLN 158 N -0.12 0.61 -0.09 2.37 4.15 -0.68 -0.17 115.11 121.19 3gkf h GLN 158 Ca 0.16 -0.10 -0.15 0.00 0.77 0.00 0.00 58.65 59.33 3gkf h GLN 158 Cb 0.35 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 3gkf h GLN 158 CO -0.37 0.54 -0.60 -0.07 -1.93 0.00 0.00 178.83 176.40 3gkf h LEU 159 N 0.60 0.36 -0.31 -2.39 3.38 -0.47 -2.21 115.31 114.28 3gkf h LEU 159 Ca 0.14 -0.21 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 3gkf h LEU 159 Cb 0.19 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3gkf h LEU 159 CO -0.01 0.88 -0.54 0.58 0.09 0.00 0.00 178.44 179.44 3gkf h VAL 160 N 0.24 1.27 -0.74 1.22 2.07 -0.42 0.16 116.25 120.05 3gkf h VAL 160 Ca -0.01 -1.72 0.04 0.00 0.82 0.00 0.00 66.70 65.83 3gkf h VAL 160 Cb 1.12 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.45 3gkf h VAL 160 CO 0.10 0.56 0.46 0.44 0.02 0.00 0.00 177.57 179.15 3gkf h ASP 161 N 0.68 0.74 -0.12 0.57 3.32 -0.93 -0.54 116.42 120.15 3gkf h ASP 161 Ca 0.02 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.84 3gkf h ASP 161 Cb 1.15 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 40.55 3gkf h ASP 161 CO 0.12 0.51 -0.82 0.00 -1.72 0.00 0.00 179.24 177.33 3gkf h ALA 162 N 1.32 0.26 -0.19 3.45 0.00 -1.27 -3.25 119.26 119.57 3gkf h ALA 162 Ca 0.30 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 3gkf h ALA 162 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3gkf h ALA 162 CO -0.12 0.66 -0.28 0.78 0.00 0.00 0.00 179.25 180.29 3gkf h GLY 163 N 0.48 0.40 2.00 0.00 0.00 -0.33 -2.63 103.07 103.00 3gkf h GLY 163 Ca -0.07 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 3gkf h GLY 163 CO 0.17 0.30 -0.31 -0.33 0.00 0.00 0.00 176.54 176.36 3gkf h MET 164 N 0.33 0.00 0.00 4.80 2.07 -1.14 0.49 114.93 121.47 3gkf h MET 164 Ca 0.05 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.67 3gkf h MET 164 Cb 0.66 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.39 3gkf h MET 164 CO 0.05 0.31 -0.03 0.87 1.07 0.00 0.00 176.91 179.18 3gkf h LYS 165 N 0.00 0.00 0.00 1.72 1.57 -1.50 -3.35 116.57 115.01 3gkf h LYS 165 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gkf h LYS 165 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3gkf h LYS 165 CO 0.04 0.03 0.00 1.55 -0.57 0.00 0.00 179.45 180.50 3gkf n VAL 166 N -3.16 0.00 -0.57 0.50 3.14 -0.18 -5.01 118.33 113.05 3gkf n VAL 166 Ca -0.00 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 3gkf n VAL 166 Cb 0.27 1.40 0.00 0.00 -1.06 0.00 0.00 33.84 34.45 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 0.13 0.65 3.53 7.55 0.00 0.15 -4.98 105.19 112.22 3gkf n GLY 167 Ca 0.00 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 3gkf n GLY 167 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gkf s MET 168 N -1.14 3.72 0.51 1.61 0.00 -0.35 -3.90 119.30 119.74 3gkf s MET 168 Ca 0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 55.69 55.01 3gkf s MET 168 Cb 0.00 -3.60 -0.06 0.00 0.00 0.00 0.00 34.83 31.17 3gkf s MET 168 CO 0.00 -0.26 1.16 -2.14 0.00 0.00 0.00 175.02 173.77 3gkf s PRO 169 N 1.70 3.52 -0.11 4.11 0.02 -1.26 -4.36 135.00 138.62 3gkf s PRO 169 Ca 0.06 1.72 -0.00 0.00 0.02 0.00 0.00 61.00 62.80 3gkf s PRO 169 Cb -0.16 -2.20 -0.02 0.00 0.02 0.00 0.00 34.50 32.14 3gkf s PRO 169 CO 0.09 -0.73 -0.10 0.99 -0.33 0.00 0.00 177.00 176.91 3gkf s THR 170 N -1.64 3.38 -0.25 0.99 2.01 -1.26 -1.85 115.64 117.02 3gkf s THR 170 Ca 0.69 -0.56 -0.08 0.00 0.31 0.00 0.00 61.69 62.04 3gkf s THR 170 Cb -0.27 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 3gkf s THR 170 CO 0.31 0.54 0.10 -0.32 -0.69 0.00 0.00 174.62 174.56 3gkf s MET 171 N 0.01 3.75 -0.16 4.92 1.75 0.55 -0.86 119.30 129.25 3gkf s MET 171 Ca -0.02 -0.43 -0.15 0.00 -1.25 0.00 0.00 55.69 53.84 3gkf s MET 171 Cb -0.14 -3.39 -0.04 0.00 2.84 0.00 0.00 34.83 34.10 3gkf s MET 171 CO 0.04 -0.15 0.33 0.00 -0.65 0.00 0.00 175.02 174.59 3gkf s ALA 172 N 1.54 3.57 -0.13 4.11 0.00 -0.30 -1.42 121.76 129.12 3gkf s ALA 172 Ca 0.06 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 3gkf s ALA 172 Cb -0.15 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.47 3gkf s ALA 172 CO 0.05 0.01 -0.03 0.08 0.00 0.00 0.00 175.76 175.86 3gkf s VAL 173 N 0.65 3.94 -0.43 0.00 1.01 -0.11 -0.75 120.40 124.71 3gkf s VAL 173 Ca 0.18 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 3gkf s VAL 173 Cb -0.14 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.57 3gkf s VAL 173 CO 0.05 0.52 0.69 0.42 0.00 0.00 0.00 175.10 176.79 3gkf s THR 174 N 0.00 4.77 0.06 3.92 -4.23 -0.82 0.20 115.64 119.55 3gkf s THR 174 Ca 0.01 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 3gkf s THR 174 Cb -0.13 -4.23 -0.04 0.00 1.34 0.00 0.00 72.50 69.44 3gkf s THR 174 CO 0.03 -0.60 0.19 -0.83 -0.54 0.00 0.00 174.62 172.87 3gkf s GLY 175 N 2.02 2.16 0.00 3.99 0.00 0.05 -4.83 107.32 110.71 3gkf s GLY 175 Ca 0.25 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 44.11 3gkf s GLY 175 CO 0.20 -0.84 0.00 -0.62 0.00 0.00 0.00 173.10 171.84 3gkf n VAL 176 N 0.34 0.00 -2.12 1.40 0.31 -1.26 -4.41 118.33 112.59 3gkf n VAL 176 Ca -0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.23 3gkf n VAL 176 Cb 0.51 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.43 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 0.32 -4.23 5.55 0.63 -1.26 -5.06 116.66 112.61 3gkf n ARG 182 Ca 0.00 -0.89 -0.29 0.00 -0.92 0.00 0.00 57.85 55.76 3gkf n ARG 182 Cb 0.00 0.46 -0.04 0.00 0.45 0.00 0.00 32.46 33.33 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 -0.87 4.43 0.13 6.15 -4.77 -1.26 -4.96 116.67 115.51 3gkf s ASP 183 Ca 0.02 -1.38 -0.25 0.00 -3.30 0.00 0.00 52.55 47.64 3gkf s ASP 183 Cb 0.11 0.36 -0.04 0.00 -1.09 0.00 0.00 42.92 42.26 3gkf s ASP 183 CO -0.03 -0.95 1.63 -0.61 0.70 0.00 0.00 175.17 175.91 3gkf h GLN 184 N 1.04 -0.37 -0.92 2.11 -0.00 -1.92 -1.81 115.11 113.24 3gkf h GLN 184 Ca -0.40 0.03 0.17 0.00 -0.00 0.00 0.00 58.65 58.45 3gkf h GLN 184 Cb 1.30 0.08 -0.08 0.00 0.00 0.00 0.00 27.48 28.79 3gkf h GLN 184 CO 0.65 -0.25 0.59 0.07 0.00 0.00 0.00 178.83 179.90 3gkf h ARG 185 N -0.38 0.60 0.34 1.69 0.11 -1.94 0.19 114.38 114.99 3gkf h ARG 185 Ca 0.08 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.11 3gkf h ARG 185 Cb 0.49 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.44 3gkf h ARG 185 CO -0.27 0.40 -0.16 -0.92 0.10 0.00 0.00 179.97 179.11 3gkf h TYR 186 N 0.62 -0.42 0.00 4.08 3.20 -1.75 -2.52 116.97 120.18 3gkf h TYR 186 Ca 0.49 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.32 3gkf h TYR 186 Cb 0.91 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.31 3gkf h TYR 186 CO -0.00 -0.10 -0.14 0.74 -1.64 0.00 0.00 178.16 177.02 3gkf h PHE 187 N -0.74 0.00 0.32 -3.82 0.04 -0.63 -1.08 116.94 111.02 3gkf h PHE 187 Ca -0.05 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 3gkf h PHE 187 Cb 0.50 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 3gkf h PHE 187 CO 0.01 0.14 -0.21 0.77 -0.60 0.00 0.00 178.31 178.42 3gkf h SER 188 N 0.00 -0.54 -0.12 2.17 0.02 -0.62 0.22 113.55 114.69 3gkf h SER 188 Ca -0.00 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3gkf h SER 188 Cb 0.28 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.94 3gkf h SER 188 CO 0.02 -0.33 -0.16 0.25 -1.14 0.00 0.00 176.83 175.46 3gkf h LEU 189 N -0.52 -0.50 -0.04 5.07 5.85 -0.88 -1.25 115.31 123.04 3gkf h LEU 189 Ca -0.03 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3gkf h LEU 189 Cb 0.44 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 3gkf h LEU 189 CO 0.02 -0.21 0.02 0.00 -0.34 0.00 0.00 178.44 177.93 3gkf h ALA 190 N 0.83 0.06 -0.58 1.25 0.00 -1.06 -2.01 119.26 117.74 3gkf h ALA 190 Ca 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3gkf h ALA 190 Cb 0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3gkf h ALA 190 CO -0.24 -0.38 0.28 1.79 0.00 0.00 0.00 179.25 180.70 3gkf h THR 191 N -0.07 1.21 -0.23 0.00 1.35 -0.48 -2.42 112.91 112.28 3gkf h THR 191 Ca 0.01 -0.60 -0.08 0.00 -0.55 0.00 0.00 66.41 65.20 3gkf h THR 191 Cb 0.14 0.52 -0.00 0.00 -1.73 0.00 0.00 68.15 67.08 3gkf h THR 191 CO -0.00 0.24 -0.16 -0.09 -0.25 0.00 0.00 175.52 175.26 3gkf h ARG 192 N 0.80 0.51 -0.38 4.72 9.65 -1.15 -0.10 114.38 128.43 3gkf h ARG 192 Ca 0.20 -0.24 0.05 0.00 -1.10 0.00 0.00 59.98 58.89 3gkf h ARG 192 Cb 0.12 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.65 3gkf h ARG 192 CO -0.02 0.81 0.09 0.82 2.80 0.00 0.00 179.97 184.47 3gkf h ILE 193 N 0.21 0.83 -0.31 1.20 2.04 -1.33 0.24 117.51 120.39 3gkf h ILE 193 Ca 0.05 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.84 3gkf h ILE 193 Cb 0.68 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3gkf h ILE 193 CO 0.04 0.04 0.18 0.00 0.00 0.00 0.00 178.15 178.42 3gkf h ALA 194 N 1.28 0.39 -0.72 1.87 0.00 -1.13 0.15 119.26 121.09 3gkf h ALA 194 Ca 0.18 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3gkf h ALA 194 Cb 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3gkf h ALA 194 CO -0.22 -0.18 0.27 0.00 0.00 0.00 0.00 179.25 179.11 3gkf h ALA 195 N 1.14 0.94 -0.51 0.00 0.00 -0.64 -2.46 119.26 117.73 3gkf h ALA 195 Ca 0.12 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3gkf h ALA 195 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3gkf h ALA 195 CO -0.06 0.59 -0.15 1.49 0.00 0.00 0.00 179.25 181.11 3gkf h GLU 196 N 1.05 1.00 -0.64 0.00 4.57 -0.07 -1.94 114.58 118.55 3gkf h GLU 196 Ca 0.24 -0.39 0.03 0.00 -1.18 0.00 0.00 59.36 58.06 3gkf h GLU 196 Cb 0.25 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 3gkf h GLU 196 CO -0.02 1.07 0.42 0.52 -1.18 0.00 0.00 179.01 179.83 3gkf h MET 197 N 0.88 0.74 0.00 1.92 2.86 -0.64 -3.46 114.93 117.23 3gkf h MET 197 Ca 0.13 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3gkf h MET 197 Cb 0.72 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.21 3gkf h MET 197 CO 0.06 0.49 0.00 0.41 1.06 0.00 0.00 176.91 178.92 3gkf n GLY 198 N -1.45 -0.76 3.75 8.32 0.00 -0.73 -4.94 105.19 109.37 3gkf n GLY 198 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 3.62 -0.01 4.61 0.00 -1.01 -4.83 121.76 124.13 3gkf s ALA 199 Ca 0.00 1.33 0.11 0.00 0.00 0.00 0.00 51.96 53.40 3gkf s ALA 199 Cb 0.00 -3.55 -0.16 0.00 0.00 0.00 0.00 23.12 19.41 3gkf s ALA 199 CO 0.00 -0.74 1.07 1.96 0.00 0.00 0.00 175.76 178.05 3gkf h GLN 200 N 4.87 0.00 -5.64 0.00 7.50 -1.34 -3.42 115.11 117.09 3gkf h GLN 200 Ca -0.46 0.00 -0.59 0.00 0.50 0.00 0.00 58.65 58.10 3gkf h GLN 200 Cb 1.22 0.00 -0.31 0.00 0.05 0.00 0.00 27.48 28.44 3gkf h GLN 200 CO 0.76 0.67 -0.85 0.42 -1.50 0.00 0.00 178.83 178.34 3gkf s ILE 201 N -2.75 1.56 -0.12 2.54 1.01 -0.90 -3.72 121.20 118.81 3gkf s ILE 201 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.84 3gkf s ILE 201 Cb 0.09 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 3gkf s ILE 201 CO 0.81 0.44 -0.13 -0.63 0.00 0.00 0.00 174.94 175.43 3gkf s ILE 202 N -0.20 3.06 -0.12 2.92 -1.09 -0.28 -1.15 121.20 124.35 3gkf s ILE 202 Ca 0.01 -0.67 0.01 0.00 -2.23 0.00 0.00 60.65 57.78 3gkf s ILE 202 Cb -0.10 -2.27 -0.01 0.00 -1.58 0.00 0.00 42.46 38.49 3gkf s ILE 202 CO 0.01 0.53 -0.17 -0.75 -1.23 0.00 0.00 174.94 173.34 3gkf s LYS 203 N 0.19 3.22 0.26 2.79 2.20 0.07 -0.41 119.74 128.06 3gkf s LYS 203 Ca -0.08 -0.75 -0.07 0.00 -0.36 0.00 0.00 55.97 54.71 3gkf s LYS 203 Cb -0.15 -2.50 0.03 0.00 -1.51 0.00 0.00 37.83 33.69 3gkf s LYS 203 CO 0.05 0.23 0.46 -2.37 -0.36 0.00 0.00 175.35 173.36 3gkf n THR 204 N 3.46 0.00 -3.95 3.43 5.66 0.80 -1.95 114.28 121.72 3gkf n THR 204 Ca -0.18 -0.86 -0.30 0.00 -3.05 0.00 0.00 64.05 59.65 3gkf n THR 204 Cb 0.53 0.70 -0.04 0.00 -1.55 0.00 0.00 70.33 69.96 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 -4.11 3.45 0.43 1.09 2.02 -1.26 0.26 117.35 119.23 3gkf s TYR 205 Ca 0.14 0.19 -0.22 0.00 -0.37 0.00 0.00 57.07 56.81 3gkf s TYR 205 Cb -0.02 -1.72 -0.10 0.00 -0.40 0.00 0.00 41.96 39.72 3gkf s TYR 205 CO 0.10 0.57 0.99 -0.47 -1.57 0.00 0.00 175.55 175.17 3gkf s TYR 206 N -1.54 3.26 -0.05 2.71 5.04 -1.26 -4.94 117.35 120.57 3gkf s TYR 206 Ca 0.34 1.63 0.02 0.00 -2.44 0.00 0.00 57.07 56.61 3gkf s TYR 206 Cb -0.12 -2.97 0.02 0.00 0.35 0.00 0.00 41.96 39.24 3gkf s TYR 206 CO 0.27 -0.36 -0.08 0.08 -1.34 0.00 0.00 175.55 174.12 3gkf s VAL 207 N -1.96 0.82 0.38 3.14 1.01 -1.26 -5.03 120.40 117.49 3gkf s VAL 207 Ca 0.61 -0.29 0.12 0.00 0.00 0.00 0.00 61.98 62.42 3gkf s VAL 207 Cb -0.14 -0.79 0.11 0.00 0.00 0.00 0.00 36.38 35.56 3gkf s VAL 207 CO 0.19 0.29 1.86 -0.33 0.00 0.00 0.00 175.10 177.10 3gkf h GLU 208 N 7.08 0.03 -5.06 2.72 5.08 -1.97 -3.34 114.58 119.13 3gkf h GLU 208 Ca -0.35 -0.01 -0.67 0.00 -1.00 0.00 0.00 59.36 57.34 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 0.47 0.35 -0.86 0.21 -1.00 0.00 0.00 179.01 178.18 3gkf s LYS 209 N -4.32 2.95 0.00 2.33 2.20 -1.26 -4.80 119.74 116.85 3gkf s LYS 209 Ca -0.03 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 3gkf s LYS 209 Cb 0.15 -2.52 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 3gkf s LYS 209 CO 0.72 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.94 3gkf n GLY 210 N 4.55 0.81 0.37 5.54 0.00 -1.26 -4.41 105.19 110.79 3gkf n GLY 210 Ca -0.21 -0.11 0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 0.21 -0.86 1.61 3.57 -1.87 -1.38 116.94 118.21 3gkf h PHE 211 Ca 0.00 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.55 3gkf h PHE 211 Cb 0.00 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 3gkf h PHE 211 CO 0.00 0.09 0.55 0.93 -2.23 0.00 0.00 178.31 177.65 3gkf h GLU 212 N 0.19 1.01 -0.44 1.11 5.08 -1.92 -1.07 114.58 118.54 3gkf h GLU 212 Ca 0.26 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 3gkf h GLU 212 Cb 0.79 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3gkf h GLU 212 CO -0.04 0.67 -0.00 0.00 -1.00 0.00 0.00 179.01 178.63 3gkf h ARG 213 N 1.04 0.72 0.04 2.33 3.08 -1.64 0.13 114.38 120.08 3gkf h ARG 213 Ca 0.35 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3gkf h ARG 213 Cb 0.06 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3gkf h ARG 213 CO -0.13 0.73 -0.02 0.82 -1.07 0.00 0.00 179.97 180.30 3gkf h ILE 214 N 0.67 1.09 0.08 2.04 2.04 -1.13 -0.37 117.51 121.93 3gkf h ILE 214 Ca 0.13 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 3gkf h ILE 214 Cb 0.42 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3gkf h ILE 214 CO 0.02 0.10 -0.04 0.58 0.00 0.00 0.00 178.15 178.81 3gkf h VAL 215 N -0.23 0.94 -0.92 1.67 2.07 -1.05 -2.60 116.25 116.12 3gkf h VAL 215 Ca -0.01 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.53 3gkf h VAL 215 Cb 0.21 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 3gkf h VAL 215 CO 0.01 0.02 0.59 0.00 0.02 0.00 0.00 177.57 178.21 3gkf h ALA 216 N 0.78 1.55 0.00 1.67 0.00 -0.65 -0.70 119.26 121.91 3gkf h ALA 216 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gkf h ALA 216 Cb 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3gkf h ALA 216 CO 0.02 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.96 3gkf n GLY 217 N -1.39 -1.55 3.70 0.00 0.00 -0.16 -4.72 105.19 101.08 3gkf n GLY 217 Ca 0.15 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 3.92 1.48 -4.20 0.00 -0.04 -1.26 -4.88 135.00 130.02 3gkf n PRO 219 Ca -0.12 -0.73 -0.12 0.00 -0.04 0.00 0.00 63.50 62.49 3gkf n PRO 219 Cb 0.52 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.85 0.19 0.43 0.52 -7.23 -1.26 -3.55 120.40 107.64 3gkf s VAL 220 Ca 0.29 -1.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.25 3gkf s VAL 220 Cb 0.15 -2.31 -0.10 0.00 0.56 0.00 0.00 36.38 34.68 3gkf s VAL 220 CO 0.23 -0.22 1.26 -2.65 -0.31 0.00 0.00 175.10 173.41 3gkf n PRO 221 N -0.23 1.89 -5.02 4.82 -0.02 -1.23 -4.77 135.00 130.42 3gkf n PRO 221 Ca -0.02 0.67 -0.32 0.00 -2.02 0.00 0.00 63.50 61.81 3gkf n PRO 221 Cb 0.65 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 31.61 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 2.66 0.04 4.25 1.01 -1.26 -1.12 121.20 125.57 3gkf s ILE 222 Ca 0.62 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 60.50 3gkf s ILE 222 Cb -0.50 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 3gkf s ILE 222 CO 0.57 0.57 -0.25 -0.69 0.00 0.00 0.00 174.94 175.15 3gkf s VAL 223 N -0.36 2.00 -0.06 2.92 1.01 0.45 0.18 120.40 126.55 3gkf s VAL 223 Ca 0.03 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.71 3gkf s VAL 223 Cb -0.12 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3gkf s VAL 223 CO 0.02 0.35 -0.02 0.27 0.00 0.00 0.00 175.10 175.72 3gkf s ILE 224 N -0.77 4.05 0.31 2.22 -4.36 -1.00 -0.14 121.20 121.51 3gkf s ILE 224 Ca 0.10 -0.43 -0.15 0.00 -0.26 0.00 0.00 60.65 59.92 3gkf s ILE 224 Cb -0.10 -2.71 -0.09 0.00 1.25 0.00 0.00 42.46 40.81 3gkf s ILE 224 CO 0.02 0.54 0.72 0.00 0.24 0.00 0.00 174.94 176.46 3gkf s ALA 225 N -0.91 3.35 0.07 2.27 0.00 0.14 0.12 121.76 126.80 3gkf s ALA 225 Ca 0.15 0.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.98 3gkf s ALA 225 Cb -0.11 -2.75 -0.18 0.00 0.00 0.00 0.00 23.12 20.08 3gkf s ALA 225 CO 0.04 0.35 1.24 0.78 0.00 0.00 0.00 175.76 178.17 3gkf h GLY 226 N 2.38 0.71 0.00 0.00 0.00 -0.75 -3.40 103.07 102.02 3gkf h GLY 226 Ca -0.48 -1.05 0.00 0.00 0.00 0.00 0.00 47.33 45.80 3gkf h GLY 226 CO 0.66 0.93 0.00 0.61 0.00 0.00 0.00 176.54 178.74 3gkf n GLY 227 N 0.79 -1.57 3.67 4.60 0.00 -1.26 -4.92 105.19 106.50 3gkf n GLY 227 Ca -0.08 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 3gkf n GLY 227 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gkf n LYS 228 N 0.00 0.80 -1.75 1.61 2.85 -1.26 -4.44 118.16 115.96 3gkf n LYS 228 Ca 0.00 0.33 -0.42 0.00 -1.05 0.00 0.00 58.31 57.17 3gkf n LYS 228 Cb 0.00 -2.38 -0.01 0.00 -0.65 0.00 0.00 35.03 31.99 3gkf n LYS 228 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3gkf n LYS 229 N -1.91 2.66 -4.43 -1.58 3.00 -1.26 -4.82 118.16 109.82 3gkf n LYS 229 Ca 0.15 0.94 -0.21 0.00 -0.00 0.00 0.00 58.31 59.18 3gkf n LYS 229 Cb 0.49 -2.70 -0.10 0.00 0.00 0.00 0.00 35.03 32.72 3gkf n LYS 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3gkf s LEU 230 N -1.10 2.47 0.35 3.14 1.43 -1.26 -5.04 118.68 118.67 3gkf s LEU 230 Ca 0.60 -1.20 -0.29 0.00 -1.03 0.00 0.00 54.13 52.21 3gkf s LEU 230 Cb -0.49 -0.63 -0.11 0.00 0.03 0.00 0.00 46.19 44.98 3gkf s LEU 230 CO 0.55 -0.35 1.49 -0.81 0.23 0.00 0.00 176.35 177.45 3gkf n PRO 231 N -0.59 2.59 -0.16 1.29 -0.04 -1.26 -4.78 135.00 132.05 3gkf n PRO 231 Ca -0.05 0.91 -0.02 0.00 -0.04 0.00 0.00 63.50 64.30 3gkf n PRO 231 Cb 0.64 -2.63 0.06 0.00 -0.04 0.00 0.00 33.50 31.52 3gkf n PRO 231 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gkf h GLU 232 N 3.42 0.08 -0.85 0.54 3.07 -1.99 0.22 114.58 119.07 3gkf h GLU 232 Ca -0.49 -0.00 0.20 0.00 -0.50 0.00 0.00 59.36 58.56 3gkf h GLU 232 Cb 1.24 -0.02 -0.12 0.00 -0.84 0.00 0.00 28.75 29.02 3gkf h GLU 232 CO 0.68 0.05 0.33 -0.09 -1.40 0.00 0.00 179.01 178.59 3gkf h ARG 233 N 0.08 0.37 -0.24 2.33 1.12 -1.98 0.21 114.38 116.27 3gkf h ARG 233 Ca 0.26 -0.02 -0.18 0.00 -1.11 0.00 0.00 59.98 58.92 3gkf h ARG 233 Cb 0.39 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.27 3gkf h ARG 233 CO -0.45 0.24 -0.57 0.93 -3.11 0.00 0.00 179.97 177.01 3gkf h GLU 234 N 0.38 0.76 -0.35 0.20 5.08 -0.96 -2.18 114.58 117.51 3gkf h GLU 234 Ca 0.51 -0.49 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3gkf h GLU 234 Cb 0.93 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3gkf h GLU 234 CO -0.51 1.12 0.13 0.00 -1.00 0.00 0.00 179.01 178.74 3gkf h ALA 235 N 0.78 0.46 -0.77 3.43 0.00 -0.29 -1.78 119.26 121.08 3gkf h ALA 235 Ca 0.01 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3gkf h ALA 235 Cb 1.16 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3gkf h ALA 235 CO 0.12 0.08 0.49 -0.07 0.00 0.00 0.00 179.25 179.87 3gkf h LEU 236 N 0.42 0.80 -0.68 0.00 3.38 -0.60 0.12 115.31 118.74 3gkf h LEU 236 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3gkf h LEU 236 Cb 0.22 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3gkf h LEU 236 CO -0.01 0.54 0.42 -0.08 0.09 0.00 0.00 178.44 179.41 3gkf h GLU 237 N 0.94 0.91 -0.10 1.13 4.22 -1.03 0.42 114.58 121.06 3gkf h GLU 237 Ca 0.31 -0.07 0.03 0.00 0.08 0.00 0.00 59.36 59.71 3gkf h GLU 237 Cb 0.04 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3gkf h GLU 237 CO -0.12 0.64 -0.07 1.98 -2.18 0.00 0.00 179.01 179.25 3gkf h MET 238 N 0.92 -0.08 0.00 1.92 4.05 -0.54 0.15 114.93 121.36 3gkf h MET 238 Ca 0.24 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.70 3gkf h MET 238 Cb -0.05 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.71 3gkf h MET 238 CO -0.05 -0.05 -0.41 0.00 0.23 0.00 0.00 176.91 176.63 3gkf h TRP 240 N -0.57 0.60 -0.25 0.00 7.01 0.19 -0.87 115.95 122.06 3gkf h TRP 240 Ca 0.05 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.04 3gkf h TRP 240 Cb 0.65 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.55 3gkf h TRP 240 CO -0.42 0.14 -0.01 1.96 -2.79 0.00 0.00 178.44 177.32 3gkf h GLN 241 N 0.53 0.44 -0.06 2.65 1.08 0.12 0.97 115.11 120.85 3gkf h GLN 241 Ca 0.40 -0.15 0.03 0.00 -1.45 0.00 0.00 58.65 57.48 3gkf h GLN 241 Cb 0.55 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.91 3gkf h GLN 241 CO -0.35 0.63 -0.13 0.00 -0.95 0.00 0.00 178.83 178.03 3gkf h ALA 242 N 0.80 -0.10 -0.10 3.87 0.00 0.08 0.62 119.26 124.44 3gkf h ALA 242 Ca 0.07 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gkf h ALA 242 Cb 0.44 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gkf h ALA 242 CO 0.02 -0.60 0.06 0.82 0.00 0.00 0.00 179.25 179.54 3gkf h ILE 243 N -0.19 1.07 -0.56 0.00 1.08 -1.09 -1.29 117.51 116.53 3gkf h ILE 243 Ca 0.07 -0.18 0.14 0.00 -0.39 0.00 0.00 64.86 64.49 3gkf h ILE 243 Cb 0.28 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 35.01 3gkf h ILE 243 CO -0.17 0.06 0.39 -0.78 -0.69 0.00 0.00 178.15 176.96 3gkf h ASP 244 N 0.09 0.12 -0.53 1.72 3.58 -0.50 0.59 116.42 121.50 3gkf h ASP 244 Ca 0.04 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3gkf h ASP 244 Cb 0.05 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.08 3gkf h ASP 244 CO -0.01 0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.42 3gkf n GLN 245 N -4.42 3.14 0.00 0.28 6.02 0.18 -4.92 117.38 117.67 3gkf n GLN 245 Ca 0.10 -2.29 0.00 0.00 -0.01 0.00 0.00 57.00 54.80 3gkf n GLN 245 Cb 0.54 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 30.05 3gkf n GLN 245 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gkf n GLY 246 N 1.02 0.89 3.76 1.08 0.00 0.20 -4.61 105.19 107.52 3gkf n GLY 246 Ca 0.21 0.00 -0.34 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 2.39 -1.48 4.61 0.00 -0.57 -4.85 121.76 119.86 3gkf s ALA 247 Ca 0.00 0.69 0.20 0.00 0.00 0.00 0.00 51.96 52.85 3gkf s ALA 247 Cb 0.00 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 3gkf s ALA 247 CO 0.00 -1.39 0.93 0.43 0.00 0.00 0.00 175.76 175.73 3gkf n SER 248 N -2.35 1.52 -3.67 0.00 7.64 0.13 -4.64 113.62 112.25 3gkf n SER 248 Ca 0.11 -1.26 -0.01 0.00 1.01 0.00 0.00 58.87 58.73 3gkf n SER 248 Cb 0.51 0.67 -0.01 0.00 -1.01 0.00 0.00 64.21 64.37 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 -2.45 -0.34 0.02 0.23 0.00 -1.15 -0.92 107.32 102.72 3gkf s GLY 249 Ca 0.13 0.52 0.03 0.00 0.00 0.00 0.00 44.72 45.40 3gkf s GLY 249 CO 0.61 0.10 -0.09 -1.34 0.00 0.00 0.00 173.10 172.37 3gkf s VAL 250 N -2.77 0.68 -0.28 1.40 -7.23 -0.98 -2.37 120.40 108.85 3gkf s VAL 250 Ca 0.13 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.56 3gkf s VAL 250 Cb 0.02 -0.65 0.06 0.00 0.56 0.00 0.00 36.38 36.37 3gkf s VAL 250 CO -0.02 -0.08 -0.07 -0.62 -0.31 0.00 0.00 175.10 174.00 3gkf s ASP 251 N -0.93 4.61 -0.44 4.85 2.15 0.33 -1.92 116.67 125.33 3gkf s ASP 251 Ca -0.02 -1.37 -0.17 0.00 0.43 0.00 0.00 52.55 51.42 3gkf s ASP 251 Cb -0.07 -1.61 0.04 0.00 -0.30 0.00 0.00 42.92 40.98 3gkf s ASP 251 CO 0.00 -0.22 0.45 -0.04 -0.17 0.00 0.00 175.17 175.20 3gkf s MET 252 N 1.15 3.07 0.00 4.34 -1.94 -1.25 0.02 119.30 124.68 3gkf s MET 252 Ca -0.07 -0.90 0.00 0.00 -1.71 0.00 0.00 55.69 53.00 3gkf s MET 252 Cb -0.20 -4.02 0.00 0.00 2.01 0.00 0.00 34.83 32.62 3gkf s MET 252 CO -0.04 -0.94 0.00 0.41 -0.01 0.00 0.00 175.02 174.45 3gkf n GLY 253 N 5.14 1.16 0.35 -0.03 0.00 -1.26 -3.98 105.19 106.57 3gkf n GLY 253 Ca -0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.02 3gkf n GLY 253 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gkf h ARG 254 N 0.00 0.85 0.00 1.61 -0.00 -1.89 0.31 114.38 115.26 3gkf h ARG 254 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 3gkf h ARG 254 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 29.78 3gkf h ARG 254 CO 0.00 0.56 0.00 0.09 0.00 0.00 0.00 179.97 180.62 3gkf n ASN 255 N -4.70 0.00 -0.00 7.04 3.02 -1.26 -1.21 115.26 118.15 3gkf n ASN 255 Ca 0.20 0.36 -0.02 0.00 -0.03 0.00 0.00 54.58 55.09 3gkf n ASN 255 Cb 0.42 -0.39 -0.01 0.00 -0.61 0.00 0.00 39.78 39.20 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 -1.39 0.65 0.30 2.41 5.41 0.11 -4.34 119.36 122.50 3gkf n ILE 256 Ca 0.01 0.24 0.16 0.00 1.00 0.00 0.00 62.75 64.17 3gkf n ILE 256 Cb 0.04 -1.51 0.93 0.00 -0.71 0.00 0.00 39.64 38.39 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 -1.40 -1.03 116.94 110.57 3gkf h PHE 257 Ca 0.00 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.70 3gkf h PHE 257 Cb 0.18 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.33 3gkf h PHE 257 CO -0.08 0.03 -0.95 1.96 -2.00 0.00 0.00 178.31 177.27 3gkf h GLN 258 N 0.00 0.00 -6.99 6.09 4.20 -1.38 -3.47 115.11 113.56 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 0.10 0.00 0.15 0.00 0.30 0.00 0.00 27.48 28.03 3gkf h GLN 258 CO 0.00 0.16 0.44 0.45 -0.67 0.00 0.00 178.83 179.21 3gkf n SER 259 N -2.87 1.97 0.24 1.46 2.88 -0.39 -4.87 113.62 112.04 3gkf n SER 259 Ca -0.02 0.90 0.12 0.00 -1.33 0.00 0.00 58.87 58.53 3gkf n SER 259 Cb 0.67 -1.51 0.56 0.00 -0.75 0.00 0.00 64.21 63.17 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 0.95 0.00 -2.15 -3.46 3.32 -1.90 -3.30 116.42 109.88 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 1.33 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.47 3gkf h ASP 260 CO 0.54 0.16 -0.74 1.41 -1.72 0.00 0.00 179.24 178.90 3gkf n HIS 261 N -3.37 2.63 0.20 4.55 8.25 -1.26 -4.99 115.22 121.24 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 0.37 -0.50 -0.10 0.00 1.12 0.00 0.00 29.99 30.88 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 3.99 -0.85 -0.97 -0.41 0.11 -1.77 -2.00 132.00 130.10 3gkf h PRO 262 Ca 0.16 0.06 0.10 0.00 0.11 0.00 0.00 66.00 66.43 3gkf h PRO 262 Cb 0.71 0.19 -0.08 0.00 0.11 0.00 0.00 31.00 31.93 3gkf h PRO 262 CO 0.74 -0.57 0.61 0.28 -0.21 0.00 0.00 178.00 178.85 3gkf h VAL 263 N -0.88 0.96 -0.61 3.15 2.07 -1.94 0.12 116.25 119.13 3gkf h VAL 263 Ca -0.03 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3gkf h VAL 263 Cb 0.82 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3gkf h VAL 263 CO -0.18 0.18 0.39 0.00 0.02 0.00 0.00 177.57 177.99 3gkf h ALA 264 N 1.50 0.77 -0.30 1.67 0.00 -1.79 -2.28 119.26 118.84 3gkf h ALA 264 Ca 0.46 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.36 3gkf h ALA 264 Cb 0.38 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3gkf h ALA 264 CO -0.24 0.18 0.13 1.98 0.00 0.00 0.00 179.25 181.29 3gkf h MET 265 N 0.80 0.27 -0.62 0.00 -1.53 -0.06 -1.59 114.93 112.18 3gkf h MET 265 Ca 0.23 -0.02 0.03 0.00 -3.44 0.00 0.00 59.70 56.50 3gkf h MET 265 Cb -0.06 -0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 30.89 3gkf h MET 265 CO -0.06 0.18 0.39 0.52 0.14 0.00 0.00 176.91 178.07 3gkf h MET 266 N 0.27 0.74 -0.47 0.39 2.86 -0.85 0.26 114.93 118.13 3gkf h MET 266 Ca 0.13 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3gkf h MET 266 Cb 0.07 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3gkf h MET 266 CO -0.11 0.49 0.21 0.87 1.06 0.00 0.00 176.91 179.43 3gkf h LYS 267 N 0.76 0.66 0.22 1.72 1.57 -1.10 0.73 116.57 121.14 3gkf h LYS 267 Ca 0.25 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3gkf h LYS 267 Cb 0.02 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3gkf h LYS 267 CO -0.10 0.53 -0.21 0.00 -0.57 0.00 0.00 179.45 179.10 3gkf h ALA 268 N 1.57 -0.43 -0.58 3.86 0.00 0.20 -1.42 119.26 122.46 3gkf h ALA 268 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3gkf h ALA 268 Cb 0.10 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3gkf h ALA 268 CO -0.02 -0.77 0.33 0.28 0.00 0.00 0.00 179.25 179.07 3gkf h VAL 269 N -0.46 1.18 -0.64 0.00 2.07 0.55 -1.89 116.25 117.07 3gkf h VAL 269 Ca -0.01 -0.45 0.10 0.00 0.82 0.00 0.00 66.70 67.16 3gkf h VAL 269 Cb 0.42 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 3gkf h VAL 269 CO -0.04 0.20 0.26 1.56 0.02 0.00 0.00 177.57 179.57 3gkf h GLN 270 N 0.78 0.44 0.31 1.57 4.20 0.56 -0.54 115.11 122.43 3gkf h GLN 270 Ca 0.21 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 3gkf h GLN 270 Cb 0.03 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3gkf h GLN 270 CO -0.03 0.29 -0.16 0.00 -0.67 0.00 0.00 178.83 178.25 3gkf h ALA 271 N 1.43 -0.44 -0.31 3.87 0.00 -0.57 -0.34 119.26 122.90 3gkf h ALA 271 Ca 0.32 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3gkf h ALA 271 Cb 0.39 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3gkf h ALA 271 CO -0.30 -0.75 0.13 0.28 0.00 0.00 0.00 179.25 178.61 3gkf h VAL 272 N -0.44 0.95 0.32 0.00 2.07 -0.87 0.11 116.25 118.39 3gkf h VAL 272 Ca -0.04 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3gkf h VAL 272 Cb 0.35 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3gkf h VAL 272 CO 0.06 0.05 -0.15 0.58 0.02 0.00 0.00 177.57 178.13 3gkf h VAL 273 N 0.28 0.00 0.24 2.57 2.07 -0.91 -2.95 116.25 117.56 3gkf h VAL 273 Ca 0.13 -0.33 -0.34 0.00 0.82 0.00 0.00 66.70 66.99 3gkf h VAL 273 Cb 0.07 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 29.88 3gkf h VAL 273 CO -0.11 0.00 -1.51 0.45 0.02 0.00 0.00 177.57 176.42 3gkf h HIS 274 N -0.75 0.94 -0.00 1.57 -0.00 -1.16 -3.38 115.15 112.37 3gkf h HIS 274 Ca -0.04 -0.69 0.00 0.00 -0.00 0.00 0.00 60.37 59.64 3gkf h HIS 274 Cb 0.33 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 3gkf h HIS 274 CO 0.04 1.58 -0.88 0.72 -0.00 0.00 0.00 177.93 179.39 3gkf n HIS 275 N -3.71 0.00 -0.72 2.45 8.25 -0.41 -4.98 115.22 116.10 3gkf n HIS 275 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 3gkf n HIS 275 Cb 1.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.21 3gkf n HIS 275 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gkf n ASN 276 N -1.25 -0.34 -4.54 0.41 3.02 0.26 -4.96 115.26 107.86 3gkf n ASN 276 Ca 0.05 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.19 3gkf n ASN 276 Cb 0.34 -0.06 0.02 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 -2.11 0.89 -1.56 3.52 -0.58 -1.06 -4.92 120.64 114.82 3gkf n GLU 277 Ca 0.00 0.33 -0.31 0.00 -0.42 0.00 0.00 57.16 56.76 3gkf n GLU 277 Cb 0.00 -1.83 0.05 0.00 -0.57 0.00 0.00 31.44 29.09 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 -1.45 4.00 0.19 2.62 -1.32 -1.26 -4.43 115.64 113.98 3gkf s THR 278 Ca 0.66 0.65 -0.14 0.00 -1.21 0.00 0.00 61.69 61.65 3gkf s THR 278 Cb -0.53 -3.38 0.14 0.00 -1.51 0.00 0.00 72.50 67.22 3gkf s THR 278 CO 0.55 -0.85 1.67 0.00 -2.21 0.00 0.00 174.62 173.79 3gkf h ALA 279 N -0.74 0.44 0.34 11.08 0.00 -1.91 -1.32 119.26 127.15 3gkf h ALA 279 Ca -0.44 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3gkf h ALA 279 Cb 1.21 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3gkf h ALA 279 CO 0.57 -0.41 -0.19 -0.44 0.00 0.00 0.00 179.25 178.78 3gkf h ASP 280 N 0.08 -0.46 -0.42 0.00 5.19 -1.97 0.16 116.42 119.00 3gkf h ASP 280 Ca 0.25 0.02 0.08 0.00 -0.62 0.00 0.00 57.03 56.76 3gkf h ASP 280 Cb 0.39 0.13 -0.07 0.00 0.18 0.00 0.00 39.33 39.96 3gkf h ASP 280 CO -0.45 -0.31 -0.00 0.03 -3.12 0.00 0.00 179.24 175.39 3gkf h ARG 281 N -0.50 0.10 -0.23 3.56 3.08 -1.89 0.25 114.38 118.76 3gkf h ARG 281 Ca -0.04 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.05 3gkf h ARG 281 Cb 0.40 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.35 3gkf h ARG 281 CO 0.05 0.07 -0.43 0.00 -1.07 0.00 0.00 179.97 178.60 3gkf h ALA 282 N 1.37 -0.55 -0.84 0.04 0.00 -0.58 0.47 119.26 119.17 3gkf h ALA 282 Ca 0.21 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.26 3gkf h ALA 282 Cb 0.30 0.83 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 3gkf h ALA 282 CO -0.35 -0.91 0.44 -0.92 0.00 0.00 0.00 179.25 177.51 3gkf h TYR 283 N -0.44 0.79 -0.16 0.00 3.20 0.39 -0.03 116.97 120.73 3gkf h TYR 283 Ca 0.10 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 3gkf h TYR 283 Cb 0.61 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3gkf h TYR 283 CO -0.54 0.23 0.10 0.93 -1.64 0.00 0.00 178.16 177.24 3gkf h GLU 284 N 0.67 0.21 0.00 1.82 5.08 0.10 0.50 114.58 122.97 3gkf h GLU 284 Ca 0.44 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3gkf h GLU 284 Cb 0.57 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3gkf h GLU 284 CO -0.33 0.17 -0.01 1.37 -1.00 0.00 0.00 179.01 179.21 3gkf h LEU 285 N 0.19 0.00 0.35 1.33 -0.00 -0.54 0.58 115.31 117.23 3gkf h LEU 285 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 3gkf h LEU 285 Cb 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.64 3gkf h LEU 285 CO -0.01 0.01 -0.48 0.22 -0.00 0.00 0.00 178.44 178.18 3gkf h TYR 286 N 0.00 -1.33 -0.77 0.17 3.20 0.19 0.17 116.97 118.59 3gkf h TYR 286 Ca -0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 3gkf h TYR 286 Cb 0.36 0.54 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 3gkf h TYR 286 CO 0.00 -0.61 0.34 -0.07 -1.64 0.00 0.00 178.16 176.17 3gkf h LEU 287 N -0.87 1.04 -0.62 2.82 3.38 -0.12 -2.38 115.31 118.55 3gkf h LEU 287 Ca -0.03 -0.16 0.13 0.00 0.09 0.00 0.00 57.88 57.91 3gkf h LEU 287 Cb 0.80 -0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.17 3gkf h LEU 287 CO -0.14 0.91 -0.12 -1.28 0.09 0.00 0.00 178.44 177.90 3gkf h SER 288 N 1.10 -0.51 1.41 -0.43 0.87 0.44 -2.78 113.55 113.65 3gkf h SER 288 Ca 0.26 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 3gkf h SER 288 Cb 0.17 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3gkf h SER 288 CO -0.03 -0.19 0.00 -0.33 -0.53 0.00 0.00 176.83 175.75 3gkf h GLU 289 N 0.02 0.00 0.00 2.24 4.39 -0.14 -3.50 114.58 117.59 3gkf h GLU 289 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 3gkf h GLU 289 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3gkf h GLU 289 CO -0.62 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 178.86