#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 2.68 -0.24 1.61 1.02 -1.26 -5.11 119.74 118.44 3gkf s LYS 11 Ca 0.00 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.38 3gkf s LYS 11 Cb 0.00 -2.57 0.04 0.00 -0.52 0.00 0.00 37.83 34.78 3gkf s LYS 11 CO 0.00 0.64 -0.10 0.34 -0.92 0.00 0.00 175.35 175.31 3gkf s ASP 12 N -1.09 4.17 0.00 2.83 2.15 -1.26 -4.96 116.67 118.50 3gkf s ASP 12 Ca 0.15 -1.00 0.25 0.00 0.43 0.00 0.00 52.55 52.38 3gkf s ASP 12 Cb -0.11 -1.60 0.61 0.00 -0.30 0.00 0.00 42.92 41.52 3gkf s ASP 12 CO 0.04 -0.13 1.49 0.49 -0.17 0.00 0.00 175.17 176.90 3gkf n PHE 13 N 4.59 0.10 -3.84 -5.34 3.72 -1.26 -4.97 117.46 110.46 3gkf n PHE 13 Ca -0.16 -0.05 -0.33 0.00 -0.05 0.00 0.00 57.45 56.86 3gkf n PHE 13 Cb 0.46 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.02 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 0.80 -1.57 0.26 -1.08 3.00 -1.26 -4.81 116.66 112.00 3gkf n ARG 14 Ca 0.17 0.36 0.13 0.00 -0.00 0.00 0.00 57.85 58.51 3gkf n ARG 14 Cb 0.47 -3.93 0.70 0.00 0.00 0.00 0.00 32.46 29.71 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 -2.01 0.53 0.00 5.15 1.35 -2.02 -2.07 112.91 113.84 3gkf h THR 15 Ca -0.67 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 3gkf h THR 15 Cb 1.37 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3gkf h THR 15 CO 0.53 0.13 0.00 -0.90 -0.25 0.00 0.00 175.52 175.03 3gkf n ASP 16 N -3.57 0.72 -4.02 5.36 5.75 -1.26 -4.53 116.55 114.99 3gkf n ASP 16 Ca -0.01 0.64 -0.31 0.00 -0.01 0.00 0.00 54.79 55.09 3gkf n ASP 16 Cb 0.26 -0.80 -0.15 0.00 -1.03 0.00 0.00 41.12 39.40 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 -3.25 2.01 0.05 0.11 0.74 -0.78 -5.11 119.66 113.44 3gkf s GLN 17 Ca 0.06 -1.23 -0.21 0.00 0.05 0.00 0.00 55.36 54.04 3gkf s GLN 17 Cb 0.10 -2.78 -0.06 0.00 1.10 0.00 0.00 33.01 31.37 3gkf s GLN 17 CO 0.46 -0.58 0.62 -1.25 -0.55 0.00 0.00 175.29 173.99 3gkf s PRO 18 N 1.20 4.32 0.28 1.67 0.04 -1.26 -4.92 135.00 136.34 3gkf s PRO 18 Ca -0.08 0.82 -0.30 0.00 0.04 0.00 0.00 61.00 61.48 3gkf s PRO 18 Cb -0.20 -3.30 -0.12 0.00 0.04 0.00 0.00 34.50 30.93 3gkf s PRO 18 CO -0.05 0.49 1.49 0.94 0.04 0.00 0.00 177.00 179.90 3gkf n GLN 19 N 2.22 2.39 -4.25 4.56 7.27 -1.26 -5.00 117.38 123.31 3gkf n GLN 19 Ca -0.08 0.85 -0.17 0.00 0.07 0.00 0.00 57.00 57.67 3gkf n GLN 19 Cb 0.51 -2.56 -0.13 0.00 2.41 0.00 0.00 30.24 30.46 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 -0.65 0.71 -0.11 3.69 2.20 -1.26 -5.13 119.74 119.19 3gkf s LYS 20 Ca 0.64 -0.59 -0.23 0.00 -0.36 0.00 0.00 55.97 55.44 3gkf s LYS 20 Cb -0.56 -0.65 -0.03 0.00 -1.51 0.00 0.00 37.83 35.08 3gkf s LYS 20 CO 0.51 0.16 0.68 -0.80 -0.36 0.00 0.00 175.35 175.53 3gkf s ASN 21 N -0.93 6.89 -0.16 1.43 0.01 -1.26 -5.02 114.94 115.90 3gkf s ASN 21 Ca -0.01 1.07 -0.29 0.00 -0.71 0.00 0.00 52.86 52.92 3gkf s ASN 21 Cb -0.07 -2.39 -0.01 0.00 0.41 0.00 0.00 41.25 39.19 3gkf s ASN 21 CO 0.01 -0.17 1.23 -0.63 -1.51 0.00 0.00 177.10 176.03 3gkf s ILE 22 N 1.16 4.32 0.59 0.60 1.09 -1.26 -5.00 121.20 122.70 3gkf s ILE 22 Ca 0.35 1.60 -0.19 0.00 -1.10 0.00 0.00 60.65 61.30 3gkf s ILE 22 Cb -0.17 -4.03 -0.03 0.00 -1.06 0.00 0.00 42.46 37.17 3gkf s ILE 22 CO 0.15 -0.12 1.26 -2.84 -0.10 0.00 0.00 174.94 173.28 3gkf s PRO 23 N 3.32 2.94 -0.29 2.79 0.02 -1.26 -5.01 135.00 137.50 3gkf s PRO 23 Ca 0.54 1.97 -0.07 0.00 0.02 0.00 0.00 61.00 63.46 3gkf s PRO 23 Cb -0.21 -2.00 0.01 0.00 0.02 0.00 0.00 34.50 32.32 3gkf s PRO 23 CO 0.15 -1.27 0.07 0.12 -0.33 0.00 0.00 177.00 175.74 3gkf s PHE 24 N -1.47 3.15 -0.60 6.54 5.36 -1.26 -5.00 117.98 124.69 3gkf s PHE 24 Ca 0.77 -1.01 0.22 0.00 -0.96 0.00 0.00 56.93 55.95 3gkf s PHE 24 Cb -0.34 -2.24 -0.09 0.00 -0.34 0.00 0.00 43.02 40.01 3gkf s PHE 24 CO 0.38 -0.59 0.90 0.25 -1.46 0.00 0.00 175.22 174.70 3gkf n THR 25 N 4.86 0.09 -1.55 0.12 -2.24 -1.26 -4.56 114.28 109.74 3gkf n THR 25 Ca -0.15 -0.23 -0.54 0.00 -2.27 0.00 0.00 64.05 60.86 3gkf n THR 25 Cb 0.48 0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 69.01 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 -1.90 0.89 -4.66 3.22 7.94 -1.26 -4.71 117.00 116.52 3gkf n LEU 26 Ca 0.01 1.14 -0.42 0.00 -1.11 0.00 0.00 56.01 55.63 3gkf n LEU 26 Cb 0.43 -1.08 -0.03 0.00 0.53 0.00 0.00 43.42 43.28 3gkf n LEU 26 CO 0.42 -1.47 1.56 -0.75 -1.11 0.00 0.00 177.39 176.05 3gkf s LYS 27 N 0.18 4.14 0.00 1.96 2.20 -1.26 -1.96 119.74 125.00 3gkf s LYS 27 Ca 0.86 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 59.00 3gkf s LYS 27 Cb -1.07 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 31.11 3gkf s LYS 27 CO 0.52 -0.95 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 3gkf n GLY 28 N 4.48 0.35 0.77 5.54 0.00 -1.22 -3.68 105.19 111.43 3gkf n GLY 28 Ca 0.20 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.30 1.91 0.00 0.00 -1.26 -4.02 105.19 99.39 3gkf n GLY 30 Ca 0.23 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.37 4.94 -2.53 4.61 0.00 -1.26 -4.95 120.51 119.94 3gkf n ALA 31 Ca 0.09 -3.74 -0.26 0.00 0.00 0.00 0.00 53.44 49.53 3gkf n ALA 31 Cb 0.32 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.31 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 -3.57 2.82 0.89 0.00 1.43 -1.26 -5.11 118.68 113.88 3gkf s LEU 32 Ca 0.50 -0.71 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 3gkf s LEU 32 Cb 0.41 -1.48 0.13 0.00 0.03 0.00 0.00 46.19 45.28 3gkf s LEU 32 CO 0.03 0.09 1.12 -0.62 0.23 0.00 0.00 176.35 177.20 3gkf s ASP 33 N -2.96 3.26 0.19 2.29 2.15 -1.26 -4.68 116.67 115.66 3gkf s ASP 33 Ca 0.25 2.00 -0.12 0.00 0.43 0.00 0.00 52.55 55.12 3gkf s ASP 33 Cb -0.08 -2.51 0.23 0.00 -0.30 0.00 0.00 42.92 40.25 3gkf s ASP 33 CO 0.14 -2.85 1.72 -0.25 -0.17 0.00 0.00 175.17 173.76 3gkf h TRP 34 N -1.70 0.21 -0.60 -5.34 7.01 -1.99 -0.46 115.95 113.09 3gkf h TRP 34 Ca -0.45 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.58 3gkf h TRP 34 Cb 1.26 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 28.28 3gkf h TRP 34 CO 0.50 0.01 0.36 0.78 -2.79 0.00 0.00 178.44 177.30 3gkf h GLY 35 N 0.27 0.86 1.08 2.65 0.00 -1.92 0.91 103.07 106.93 3gkf h GLY 35 Ca 0.27 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 3gkf h GLY 35 CO -0.33 0.35 -0.27 1.98 0.00 0.00 0.00 176.54 178.27 3gkf h MET 36 N 0.80 0.91 -0.17 4.80 1.85 -1.49 -1.05 114.93 120.57 3gkf h MET 36 Ca 0.21 -0.43 -0.02 0.00 -0.61 0.00 0.00 59.70 58.86 3gkf h MET 36 Cb -0.02 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 31.99 3gkf h MET 36 CO -0.04 1.08 0.01 1.96 -0.40 0.00 0.00 176.91 179.52 3gkf h GLN 37 N 0.73 0.25 -0.33 0.39 4.20 -0.76 -1.92 115.11 117.68 3gkf h GLN 37 Ca 0.08 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 3gkf h GLN 37 Cb 0.85 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 3gkf h GLN 37 CO 0.07 0.27 -0.15 1.03 -0.67 0.00 0.00 178.83 179.38 3gkf h SER 38 N 0.25 0.70 -0.37 1.46 0.87 -0.30 -0.16 113.55 116.00 3gkf h SER 38 Ca 0.06 -0.40 -0.05 0.00 -1.23 0.00 0.00 61.79 60.17 3gkf h SER 38 Cb 0.16 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3gkf h SER 38 CO 0.00 0.95 0.05 0.03 -0.53 0.00 0.00 176.83 177.33 3gkf h ARG 39 N 0.46 0.62 -0.46 2.24 3.08 -0.75 -1.96 114.38 117.60 3gkf h ARG 39 Ca 0.07 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3gkf h ARG 39 Cb 0.68 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 3gkf h ARG 39 CO 0.05 0.69 0.19 -0.07 -1.07 0.00 0.00 179.97 179.76 3gkf h LEU 40 N 0.45 0.58 -1.39 3.04 3.38 -1.32 -1.58 115.31 118.49 3gkf h LEU 40 Ca 0.11 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3gkf h LEU 40 Cb 0.38 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3gkf h LEU 40 CO 0.01 0.52 -0.28 0.28 0.09 0.00 0.00 178.44 179.07 3gkf h SER 41 N 0.65 0.00 -0.59 -0.43 0.02 -0.64 0.10 113.55 112.66 3gkf h SER 41 Ca 0.16 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 3gkf h SER 41 Cb 0.12 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3gkf h SER 41 CO -0.02 0.28 0.01 0.03 -1.14 0.00 0.00 176.83 175.99 3gkf h ARG 42 N 0.00 1.03 0.04 3.45 3.08 -0.53 -3.34 114.38 118.11 3gkf h ARG 42 Ca -0.00 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 3gkf h ARG 42 Cb 0.61 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3gkf h ARG 42 CO 0.04 1.01 -0.02 0.82 -1.07 0.00 0.00 179.97 180.74 3gkf h ILE 43 N 0.92 1.18 -3.76 2.04 2.04 -1.16 -3.45 117.51 115.33 3gkf h ILE 43 Ca 0.17 -1.67 -0.63 0.00 1.00 0.00 0.00 64.86 63.72 3gkf h ILE 43 Cb 0.54 2.14 -0.17 0.00 -0.74 0.00 0.00 36.82 38.59 3gkf h ILE 43 CO 0.03 0.37 -0.53 -0.36 0.00 0.00 0.00 178.15 177.66 3gkf s PHE 44 N -2.60 3.24 0.15 1.37 0.08 0.30 -4.51 117.98 116.01 3gkf s PHE 44 Ca -0.14 0.10 -0.31 0.00 0.12 0.00 0.00 56.93 56.70 3gkf s PHE 44 Cb -0.01 -2.32 -0.11 0.00 -0.57 0.00 0.00 43.02 40.00 3gkf s PHE 44 CO 0.51 -0.10 1.81 -1.71 -0.10 0.00 0.00 175.22 175.63 3gkf n ASN 45 N 4.76 4.03 -0.25 1.36 2.85 -0.13 -4.48 115.26 123.41 3gkf n ASN 45 Ca -0.15 1.01 -0.03 0.00 -0.11 0.00 0.00 54.58 55.30 3gkf n ASN 45 Cb 0.52 -1.55 0.14 0.00 1.24 0.00 0.00 39.78 40.13 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 8.06 1.08 0.18 1.20 0.11 -1.90 2.61 132.00 143.34 3gkf h PRO 46 Ca -0.45 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 65.50 3gkf h PRO 46 Cb 1.22 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3gkf h PRO 46 CO 0.95 0.83 -0.09 0.87 -0.21 0.00 0.00 178.00 180.35 3gkf h LYS 47 N 1.07 -0.24 0.00 1.05 1.79 -1.98 -3.32 116.57 114.94 3gkf h LYS 47 Ca 0.26 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 3gkf h LYS 47 Cb 0.11 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3gkf h LYS 47 CO -0.03 -0.06 -1.28 0.25 -1.08 0.00 0.00 179.45 177.25 3gkf n THR 48 N -5.14 0.00 -2.21 -0.16 -2.24 -1.11 -4.98 114.28 98.45 3gkf n THR 48 Ca -0.09 -0.15 -0.16 0.00 -2.27 0.00 0.00 64.05 61.38 3gkf n THR 48 Cb 0.17 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 3gkf n THR 48 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gkf n GLY 49 N 1.43 -0.07 3.20 3.38 0.00 0.87 -4.96 105.19 109.04 3gkf n GLY 49 Ca 0.02 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 3gkf n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gkf s LYS 50 N -4.63 1.14 0.00 1.61 1.02 -1.21 -4.77 119.74 112.90 3gkf s LYS 50 Ca 0.00 -1.59 -0.05 0.00 0.02 0.00 0.00 55.97 54.36 3gkf s LYS 50 Cb 0.00 0.20 -0.00 0.00 -0.52 0.00 0.00 37.83 37.51 3gkf s LYS 50 CO 0.00 -0.34 0.09 -0.08 -0.92 0.00 0.00 175.35 174.10 3gkf s THR 51 N -4.08 0.08 -0.26 2.17 -1.32 -0.30 -0.96 115.64 110.98 3gkf s THR 51 Ca 0.34 -0.69 -0.04 0.00 -1.21 0.00 0.00 61.69 60.10 3gkf s THR 51 Cb 0.07 -0.36 0.02 0.00 -1.51 0.00 0.00 72.50 70.72 3gkf s THR 51 CO 0.09 -0.38 -0.01 -0.69 -2.21 0.00 0.00 174.62 171.43 3gkf s VAL 52 N -1.27 3.33 -0.15 5.08 1.01 -1.26 -2.44 120.40 124.70 3gkf s VAL 52 Ca -0.14 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 3gkf s VAL 52 Cb -0.08 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 3gkf s VAL 52 CO 0.01 0.17 -0.03 -0.32 0.00 0.00 0.00 175.10 174.93 3gkf s MET 53 N 1.40 3.66 -0.47 2.72 0.00 -0.84 -0.30 119.30 125.47 3gkf s MET 53 Ca 0.02 -0.51 -0.11 0.00 0.00 0.00 0.00 55.69 55.09 3gkf s MET 53 Cb -0.17 -2.92 0.11 0.00 0.00 0.00 0.00 34.83 31.85 3gkf s MET 53 CO -0.02 0.26 0.36 -1.17 0.00 0.00 0.00 175.02 174.46 3gkf s LEU 54 N 0.31 5.68 -0.25 4.11 2.96 -0.16 -3.97 118.68 127.37 3gkf s LEU 54 Ca -0.03 -1.76 -0.10 0.00 -0.22 0.00 0.00 54.13 52.02 3gkf s LEU 54 Cb -0.14 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 3gkf s LEU 54 CO 0.03 -0.69 0.15 0.00 -1.32 0.00 0.00 176.35 174.51 3gkf s ALA 55 N 1.44 3.52 -0.38 5.97 0.00 -1.26 -1.70 121.76 129.36 3gkf s ALA 55 Ca 0.04 -0.95 0.11 0.00 0.00 0.00 0.00 51.96 51.16 3gkf s ALA 55 Cb -0.26 -2.30 0.44 0.00 0.00 0.00 0.00 23.12 21.00 3gkf s ALA 55 CO 0.01 -0.28 1.04 1.97 0.00 0.00 0.00 175.76 178.50 3gkf n PHE 56 N 4.48 2.33 1.07 0.00 1.16 0.98 -4.72 117.46 122.76 3gkf n PHE 56 Ca -0.15 -2.93 0.12 0.00 -1.87 0.00 0.00 57.45 52.63 3gkf n PHE 56 Cb 0.52 -0.23 0.14 0.00 -1.61 0.00 0.00 39.48 38.30 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 -0.30 2.52 0.23 5.98 5.75 -1.23 -4.48 116.55 125.02 3gkf n ASP 57 Ca 0.25 -1.78 0.17 0.00 -0.01 0.00 0.00 54.79 53.41 3gkf n ASP 57 Cb 0.74 0.11 0.87 0.00 -1.03 0.00 0.00 41.12 41.81 3gkf n ASP 57 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3gkf h HIS 58 N 3.77 0.00 -0.19 2.11 -0.00 -1.92 0.55 115.15 119.47 3gkf h HIS 58 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 3gkf h HIS 58 Cb 0.86 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.27 3gkf h HIS 58 CO 0.00 0.00 0.51 0.78 -0.00 0.00 0.00 177.93 179.22 3gkf h GLY 59 N 0.00 0.00 1.52 2.45 0.00 -1.79 -1.83 103.07 103.43 3gkf h GLY 59 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3gkf h GLY 59 CO -0.00 0.00 0.25 0.10 0.00 0.00 0.00 176.54 176.89 3gkf h TYR 60 N 0.00 0.62 0.00 5.60 -0.00 -1.17 -2.16 116.97 119.85 3gkf h TYR 60 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.81 3gkf h TYR 60 Cb 1.10 -0.20 0.00 0.00 0.00 0.00 0.00 36.73 37.63 3gkf h TYR 60 CO 0.00 0.44 0.00 1.97 -0.00 0.00 0.00 178.16 180.57 3gkf n PHE 61 N -4.42 0.00 0.23 0.10 1.16 -1.11 -4.67 117.46 108.76 3gkf n PHE 61 Ca 0.04 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.64 3gkf n PHE 61 Cb 0.10 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 37.95 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 -0.27 4.61 0.00 3.97 6.02 -0.70 -1.63 117.38 129.38 3gkf n GLN 62 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 3gkf n GLN 62 Cb 0.04 -0.78 0.00 0.00 1.02 0.00 0.00 30.24 30.51 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 1.00 0.11 3.38 1.08 0.00 -0.83 -4.22 105.19 105.72 3gkf n GLY 63 Ca 0.01 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 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 2.46 -1.04 1.61 -0.02 -1.26 -4.02 135.00 132.73 3gkf n PRO 64 Ca 0.00 -2.75 -0.33 0.00 -2.02 0.00 0.00 63.50 58.40 3gkf n PRO 64 Cb 0.00 -3.46 0.13 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 6.56 1.71 -1.77 3.45 -1.04 -1.26 -4.70 114.28 117.23 3gkf n THR 65 Ca 0.48 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.05 61.89 3gkf n THR 65 Cb 0.44 -1.15 -0.03 0.00 -1.82 0.00 0.00 70.33 67.77 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 -2.20 2.22 0.00 12.58 2.01 -1.26 -1.22 115.64 127.77 3gkf s THR 66 Ca 0.72 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.83 3gkf s THR 66 Cb -0.28 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.16 3gkf s THR 66 CO 0.52 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 3gkf n GLY 67 N 3.97 2.30 0.66 4.40 0.00 -1.26 -4.78 105.19 110.49 3gkf n GLY 67 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 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 3.08 -0.11 0.99 4.77 -0.35 -4.64 117.00 120.74 3gkf n LEU 68 Ca 0.00 -2.21 -0.05 0.00 -0.03 0.00 0.00 56.01 53.71 3gkf n LEU 68 Cb 0.00 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 40.81 3gkf n LEU 68 CO 0.00 0.71 0.79 -0.33 -1.33 0.00 0.00 177.39 177.23 3gkf h GLU 69 N 1.89 -0.01 -3.13 3.23 3.07 -1.80 -3.32 114.58 114.51 3gkf h GLU 69 Ca 0.00 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.25 3gkf h GLU 69 Cb 0.87 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 28.38 3gkf h GLU 69 CO 0.05 -0.00 -0.72 1.03 -1.40 0.00 0.00 179.01 177.96 3gkf s ARG 70 N -6.21 1.34 0.21 2.33 1.81 -1.26 -4.96 118.95 112.20 3gkf s ARG 70 Ca -0.14 -2.01 -0.10 0.00 -1.72 0.00 0.00 55.73 51.77 3gkf s ARG 70 Cb 0.14 -2.46 0.25 0.00 -0.45 0.00 0.00 34.95 32.43 3gkf s ARG 70 CO 0.70 -1.13 1.77 0.82 -0.68 0.00 0.00 175.30 176.79 3gkf h ILE 71 N 5.41 0.87 -0.11 1.52 1.08 -1.89 -0.86 117.51 123.54 3gkf h ILE 71 Ca -0.03 -0.18 0.03 0.00 -0.39 0.00 0.00 64.86 64.29 3gkf h ILE 71 Cb 0.93 0.30 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 3gkf h ILE 71 CO 0.51 0.10 0.10 -2.24 -0.69 0.00 0.00 178.15 175.93 3gkf h ASP 72 N 0.53 0.00 0.00 1.72 2.03 -1.93 -0.56 116.42 118.21 3gkf h ASP 72 Ca 0.29 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.35 3gkf h ASP 72 Cb 0.28 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.74 3gkf h ASP 72 CO -0.23 0.00 -1.72 -0.38 -1.03 0.00 0.00 179.24 175.88 3gkf n ILE 73 N -4.08 1.24 0.06 4.15 5.41 -1.01 -4.20 119.36 120.93 3gkf n ILE 73 Ca -0.00 -0.13 -0.13 0.00 1.00 0.00 0.00 62.75 63.49 3gkf n ILE 73 Cb 0.21 -1.91 -0.08 0.00 -0.71 0.00 0.00 39.64 37.16 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 -0.75 -0.08 0.36 4.38 -1.24 -1.19 -3.36 115.58 113.69 3gkf h ASN 74 Ca -0.36 -0.16 -0.15 0.00 0.71 0.00 0.00 56.30 56.34 3gkf h ASN 74 Cb 1.24 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 40.28 3gkf h ASN 74 CO -0.22 0.11 -1.77 -0.38 -1.29 0.00 0.00 177.43 173.88 3gkf n ILE 75 N -5.05 0.82 -0.27 2.57 2.08 -0.31 -4.37 119.36 114.83 3gkf n ILE 75 Ca -0.08 -0.66 0.05 0.00 0.56 0.00 0.00 62.75 62.62 3gkf n ILE 75 Cb 0.14 -0.41 0.19 0.00 -0.75 0.00 0.00 39.64 38.80 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 1.56 1.14 0.00 -1.39 0.00 -1.46 0.17 119.26 119.28 3gkf h ALA 76 Ca -0.19 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gkf h ALA 76 Cb 1.50 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3gkf h ALA 76 CO 0.02 -0.08 -0.02 -1.35 0.00 0.00 0.00 179.25 177.83 3gkf h PRO 77 N 0.60 0.00 0.00 0.00 0.10 -1.76 -3.15 132.00 127.79 3gkf h PRO 77 Ca 0.41 0.00 -0.05 0.00 0.10 0.00 0.00 66.00 66.46 3gkf h PRO 77 Cb 0.53 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 31.63 3gkf h PRO 77 CO -0.33 0.02 -0.25 -0.07 0.10 0.00 0.00 178.00 177.46 3gkf h LEU 78 N 0.00 0.00 -0.35 2.35 3.38 -0.88 -3.38 115.31 116.43 3gkf h LEU 78 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3gkf h LEU 78 Cb 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3gkf h LEU 78 CO 0.00 0.25 0.02 -0.26 0.09 0.00 0.00 178.44 178.54 3gkf h PHE 79 N 0.00 0.01 0.00 1.13 0.04 -1.54 -2.41 116.94 114.17 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 1.02 0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.22 3gkf h PHE 79 CO 0.00 -0.05 0.03 1.05 -0.60 0.00 0.00 178.31 178.74 3gkf h GLU 80 N 0.12 0.00 -0.65 1.51 4.11 -1.83 -0.26 114.58 117.58 3gkf h GLU 80 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 3gkf h GLU 80 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3gkf h GLU 80 CO -0.27 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.53 3gkf n HIS 81 N -2.96 1.32 -4.23 2.06 8.25 -0.91 -4.90 115.22 113.85 3gkf n HIS 81 Ca -0.03 -0.59 -0.31 0.00 -0.26 0.00 0.00 57.72 56.54 3gkf n HIS 81 Cb 0.09 -0.18 -0.09 0.00 1.12 0.00 0.00 29.99 30.94 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 -1.63 3.21 0.02 -1.41 0.00 -0.11 -4.90 121.76 116.95 3gkf s ALA 82 Ca 0.50 -1.08 -0.18 0.00 0.00 0.00 0.00 51.96 51.20 3gkf s ALA 82 Cb 0.30 -1.18 -0.26 0.00 0.00 0.00 0.00 23.12 21.98 3gkf s ALA 82 CO 0.26 0.67 1.08 -0.44 0.00 0.00 0.00 175.76 177.34 3gkf h ASP 83 N 3.82 0.68 -4.80 0.00 3.32 -0.95 -3.47 116.42 115.01 3gkf h ASP 83 Ca -0.48 -0.80 -0.15 0.00 0.02 0.00 0.00 57.03 55.62 3gkf h ASP 83 Cb 1.17 -0.21 -0.21 0.00 0.22 0.00 0.00 39.33 40.29 3gkf h ASP 83 CO 0.57 1.40 -0.48 0.54 -1.72 0.00 0.00 179.24 179.56 3gkf s VAL 84 N -3.05 0.07 0.08 -1.35 0.11 -1.01 -4.16 120.40 111.09 3gkf s VAL 84 Ca -0.12 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 58.40 3gkf s VAL 84 Cb 0.04 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 3gkf s VAL 84 CO 0.87 -0.32 0.02 -0.76 -3.33 0.00 0.00 175.10 171.58 3gkf s LEU 85 N -1.16 3.54 -0.09 2.54 1.43 -0.30 -0.98 118.68 123.65 3gkf s LEU 85 Ca -0.12 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3gkf s LEU 85 Cb -0.07 -2.23 0.03 0.00 0.03 0.00 0.00 46.19 43.96 3gkf s LEU 85 CO 0.02 0.19 0.02 -0.32 0.23 0.00 0.00 176.35 176.48 3gkf s MET 86 N -2.22 0.51 0.37 1.70 -2.45 -0.69 0.00 119.30 116.53 3gkf s MET 86 Ca 0.26 0.05 -0.12 0.00 -1.25 0.00 0.00 55.69 54.63 3gkf s MET 86 Cb -0.12 -1.14 0.04 0.00 1.25 0.00 0.00 34.83 34.87 3gkf s MET 86 CO 0.18 -0.38 0.69 0.00 1.05 0.00 0.00 175.02 176.57 3gkf s THR 88 N -2.60 3.77 0.28 0.00 -4.23 -1.26 -1.28 115.64 110.33 3gkf s THR 88 Ca 0.20 0.55 0.11 0.00 -1.18 0.00 0.00 61.69 61.36 3gkf s THR 88 Cb -0.04 -3.56 -0.00 0.00 1.34 0.00 0.00 72.50 70.23 3gkf s THR 88 CO 0.14 -0.74 1.65 0.08 -0.54 0.00 0.00 174.62 175.21 3gkf h ARG 89 N -0.56 0.00 0.22 3.99 0.11 -1.97 -0.85 114.38 115.32 3gkf h ARG 89 Ca -0.45 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.62 3gkf h ARG 89 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 3gkf h ARG 89 CO 0.63 0.57 -0.10 0.78 0.10 0.00 0.00 179.97 181.95 3gkf h GLY 90 N 1.75 -0.31 0.97 0.08 0.00 -1.96 -1.57 103.07 102.03 3gkf h GLY 90 Ca -0.01 0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 3gkf h GLY 90 CO 0.07 -0.11 0.04 -2.22 0.00 0.00 0.00 176.54 174.33 3gkf h ILE 91 N -0.39 1.25 -0.39 2.60 1.08 -1.92 -2.59 117.51 117.15 3gkf h ILE 91 Ca -0.03 -0.96 0.07 0.00 -0.39 0.00 0.00 64.86 63.55 3gkf h ILE 91 Cb 0.30 1.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.99 3gkf h ILE 91 CO 0.05 0.33 0.05 0.25 -0.69 0.00 0.00 178.15 178.14 3gkf h LEU 92 N 0.62 -0.06 -0.29 1.44 5.85 -1.06 -0.55 115.31 121.26 3gkf h LEU 92 Ca 0.13 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 3gkf h LEU 92 Cb 0.43 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3gkf h LEU 92 CO 0.01 0.01 -0.07 0.03 -0.34 0.00 0.00 178.44 178.08 3gkf h ARG 93 N 0.16 0.57 -0.16 1.25 3.08 -1.20 -2.90 114.38 115.18 3gkf h ARG 93 Ca 0.19 -0.22 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 3gkf h ARG 93 Cb 0.25 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.27 3gkf h ARG 93 CO -0.28 0.77 -0.53 0.66 -1.07 0.00 0.00 179.97 179.52 3gkf h SER 94 N 0.33 0.75 0.00 7.04 4.64 -1.19 -3.41 113.55 121.72 3gkf h SER 94 Ca 0.07 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3gkf h SER 94 Cb 0.56 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3gkf h SER 94 CO 0.03 1.22 0.00 1.33 -0.87 0.00 0.00 176.83 178.54 3gkf n VAL 95 N -4.15 0.09 -3.67 0.95 0.24 -0.24 -4.97 118.33 106.58 3gkf n VAL 95 Ca -0.07 -0.23 -0.38 0.00 -2.04 0.00 0.00 64.34 61.62 3gkf n VAL 95 Cb 0.61 1.44 -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 -0.09 4.73 0.07 3.34 1.01 -1.09 -4.68 120.40 123.69 3gkf s VAL 96 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 61.98 61.54 3gkf s VAL 96 Cb 0.00 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 3gkf s VAL 96 CO 0.00 0.23 1.38 -2.84 0.00 0.00 0.00 175.10 173.87 3gkf s PRO 97 N 1.66 4.32 0.33 2.72 0.02 -1.26 -4.73 135.00 138.06 3gkf s PRO 97 Ca 0.06 2.01 0.09 0.00 0.02 0.00 0.00 61.00 63.18 3gkf s PRO 97 Cb -0.16 -3.38 0.85 0.00 0.02 0.00 0.00 34.50 31.83 3gkf s PRO 97 CO 0.07 -0.47 1.77 -1.35 -0.33 0.00 0.00 177.00 176.69 3gkf h PRO 98 N 7.20 0.63 0.00 5.54 0.11 -1.95 0.27 132.00 143.80 3gkf h PRO 98 Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gkf h PRO 98 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gkf h PRO 98 CO 0.87 0.41 0.00 0.00 -0.21 0.00 0.00 178.00 179.08 3gkf n ALA 99 N -2.36 1.60 0.33 -0.75 0.00 -1.26 -2.23 120.51 115.84 3gkf n ALA 99 Ca 0.24 -0.04 0.22 0.00 0.00 0.00 0.00 53.44 53.86 3gkf n ALA 99 Cb 0.66 -1.12 1.16 0.00 0.00 0.00 0.00 19.45 20.15 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 0.07 -6.68 0.00 2.02 -0.83 -3.45 112.91 104.04 3gkf h THR 100 Ca 0.00 -0.03 -0.54 0.00 0.77 0.00 0.00 66.41 66.61 3gkf h THR 100 Cb 0.05 1.03 -0.19 0.00 -1.74 0.00 0.00 68.15 67.29 3gkf h THR 100 CO 0.00 0.00 -0.82 -3.20 0.37 0.00 0.00 175.52 171.87 3gkf n ASN 101 N -3.18 -3.52 -4.26 4.18 5.15 -0.95 -4.88 115.26 107.81 3gkf n ASN 101 Ca -0.03 -0.98 -0.26 0.00 -0.60 0.00 0.00 54.58 52.72 3gkf n ASN 101 Cb 0.08 -2.87 -0.14 0.00 -0.53 0.00 0.00 39.78 36.33 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 1.43 0.39 1.20 6.06 -1.26 -5.11 118.95 114.78 3gkf s ARG 102 Ca 0.74 -0.95 -0.27 0.00 -2.50 0.00 0.00 55.73 52.75 3gkf s ARG 102 Cb -0.40 -1.55 -0.10 0.00 0.06 0.00 0.00 34.95 32.96 3gkf s ARG 102 CO 0.91 0.40 1.42 -2.14 -2.50 0.00 0.00 175.30 173.38 3gkf s PRO 103 N -1.17 4.02 0.06 5.12 0.02 -1.26 -4.80 135.00 136.99 3gkf s PRO 103 Ca 0.08 2.42 0.10 0.00 0.02 0.00 0.00 61.00 63.61 3gkf s PRO 103 Cb -0.09 -2.88 -0.03 0.00 0.02 0.00 0.00 34.50 31.52 3gkf s PRO 103 CO 0.02 -0.54 -0.26 0.14 -0.33 0.00 0.00 177.00 176.02 3gkf s VAL 104 N -1.16 2.15 -0.42 3.83 -7.23 -1.26 -1.15 120.40 115.16 3gkf s VAL 104 Ca 0.55 -1.45 -0.09 0.00 -1.81 0.00 0.00 61.98 59.17 3gkf s VAL 104 Cb -0.44 -1.85 0.08 0.00 0.56 0.00 0.00 36.38 34.73 3gkf s VAL 104 CO 0.58 0.31 0.26 -0.69 -0.31 0.00 0.00 175.10 175.25 3gkf s VAL 105 N -0.85 4.23 0.14 1.32 1.01 0.10 -0.96 120.40 125.39 3gkf s VAL 105 Ca 0.12 -1.40 -0.31 0.00 0.00 0.00 0.00 61.98 60.39 3gkf s VAL 105 Cb -0.10 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 3gkf s VAL 105 CO 0.03 -0.51 1.37 -0.76 0.00 0.00 0.00 175.10 175.23 3gkf s LEU 106 N 1.42 4.38 -0.10 3.92 1.43 -0.39 -3.36 118.68 125.97 3gkf s LEU 106 Ca 0.03 2.34 -0.30 0.00 -1.03 0.00 0.00 54.13 55.18 3gkf s LEU 106 Cb -0.23 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.37 3gkf s LEU 106 CO 0.02 -0.62 1.21 -0.60 0.23 0.00 0.00 176.35 176.59 3gkf s ARG 107 N 0.78 4.31 -0.07 1.70 6.06 -0.40 -0.24 118.95 131.09 3gkf s ARG 107 Ca 0.62 1.64 0.10 0.00 -2.50 0.00 0.00 55.73 55.59 3gkf s ARG 107 Cb -0.37 -3.63 0.15 0.00 0.06 0.00 0.00 34.95 31.16 3gkf s ARG 107 CO 0.32 -0.54 1.07 0.00 -2.50 0.00 0.00 175.30 173.65 3gkf n ALA 108 N 5.73 2.12 -2.54 6.12 0.00 0.36 -4.50 120.51 127.81 3gkf n ALA 108 Ca 0.12 -1.83 -0.26 0.00 0.00 0.00 0.00 53.44 51.48 3gkf n ALA 108 Cb 0.46 -0.20 -0.10 0.00 0.00 0.00 0.00 19.45 19.61 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 -1.95 3.75 0.00 0.00 1.04 -1.20 0.20 113.70 115.55 3gkf s SER 109 Ca 0.16 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.43 3gkf s SER 109 Cb 0.14 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.90 3gkf s SER 109 CO 0.02 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.66 3gkf n GLY 110 N -0.79 -0.76 1.69 7.32 0.00 -0.39 -4.63 105.19 107.63 3gkf n GLY 110 Ca -0.05 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.59 4.61 0.00 -1.26 0.30 120.51 121.57 3gkf n ALA 111 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3gkf n ALA 111 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.21 4.95 0.23 0.00 4.22 -1.23 -4.76 114.94 116.14 3gkf s ASN 112 Ca 0.00 -0.59 0.04 0.00 -2.14 0.00 0.00 52.86 50.17 3gkf s ASN 112 Cb 0.00 -0.93 -0.05 0.00 1.28 0.00 0.00 41.25 41.55 3gkf s ASN 112 CO 0.00 -0.21 -0.01 -0.44 -2.04 0.00 0.00 177.10 174.40 3gkf s SER 113 N -3.85 1.89 0.00 3.54 0.01 -1.26 -4.42 113.70 109.61 3gkf s SER 113 Ca 0.36 -1.21 0.23 0.00 1.31 0.00 0.00 55.95 56.64 3gkf s SER 113 Cb -0.05 -0.00 1.20 0.00 0.21 0.00 0.00 66.02 67.38 3gkf s SER 113 CO 0.23 -0.49 1.74 2.30 0.41 0.00 0.00 173.24 177.43 3gkf n ILE 114 N -0.42 0.22 1.41 1.44 -5.35 -0.64 -2.94 119.36 113.08 3gkf n ILE 114 Ca -0.05 0.05 0.14 0.00 -0.27 0.00 0.00 62.75 62.62 3gkf n ILE 114 Cb 0.64 -0.69 0.47 0.00 -1.74 0.00 0.00 39.64 38.32 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 -1.21 1.39 0.00 7.28 4.77 -1.26 -4.96 117.00 123.01 3gkf n LEU 115 Ca 0.12 -0.44 -0.04 0.00 -0.03 0.00 0.00 56.01 55.62 3gkf n LEU 115 Cb 0.15 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3gkf n LEU 115 CO 0.16 0.24 0.01 0.00 -1.33 0.00 0.00 177.39 176.46 3gkf n ALA 116 N -0.06 0.06 -1.70 -1.18 0.00 -1.15 -5.10 120.51 111.38 3gkf n ALA 116 Ca 0.17 -0.45 -0.44 0.00 0.00 0.00 0.00 53.44 52.72 3gkf n ALA 116 Cb 0.36 0.37 -0.03 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.15 2.56 -0.12 0.00 4.07 -1.26 -4.74 120.64 121.00 3gkf n GLU 117 Ca 0.01 0.93 -0.06 0.00 -0.06 0.00 0.00 57.16 57.98 3gkf n GLU 117 Cb 0.15 -2.76 0.12 0.00 -0.06 0.00 0.00 31.44 28.90 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 6.88 0.81 0.00 4.31 5.85 -1.96 -3.02 115.31 128.18 3gkf h LEU 118 Ca -0.44 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.06 3gkf h LEU 118 Cb 1.22 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3gkf h LEU 118 CO 0.93 0.90 0.00 -1.54 -0.34 0.00 0.00 178.44 178.40 3gkf n SER 119 N -4.19 0.00 -4.23 1.25 3.41 -1.26 -4.56 113.62 104.04 3gkf n SER 119 Ca 0.02 -1.01 -0.43 0.00 -0.26 0.00 0.00 58.87 57.19 3gkf n SER 119 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.98 4.72 -4.66 4.04 5.15 -1.14 -4.54 115.26 117.84 3gkf n ASN 120 Ca 0.22 -2.93 -0.27 0.00 -0.60 0.00 0.00 54.58 51.00 3gkf n ASN 120 Cb 0.10 -1.66 -0.08 0.00 -0.53 0.00 0.00 39.78 37.62 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 2.97 2.42 0.27 1.20 2.02 -1.26 -3.46 118.70 122.85 3gkf s GLU 121 Ca 0.48 -1.05 0.04 0.00 0.02 0.00 0.00 54.97 54.45 3gkf s GLU 121 Cb 0.06 -2.39 -0.06 0.00 0.10 0.00 0.00 34.13 31.85 3gkf s GLU 121 CO 0.01 0.47 0.02 0.00 0.02 0.00 0.00 175.26 175.79 3gkf s ALA 122 N -1.63 2.00 0.20 5.21 0.00 0.15 -4.75 121.76 122.95 3gkf s ALA 122 Ca 0.27 -1.88 -0.31 0.00 0.00 0.00 0.00 51.96 50.04 3gkf s ALA 122 Cb -0.10 0.59 -0.10 0.00 0.00 0.00 0.00 23.12 23.52 3gkf s ALA 122 CO 0.18 -0.28 1.45 0.08 0.00 0.00 0.00 175.76 177.19 3gkf s VAL 123 N -3.40 2.80 -1.66 0.00 1.01 -1.26 -1.27 120.40 116.62 3gkf s VAL 123 Ca 0.32 0.63 0.14 0.00 0.00 0.00 0.00 61.98 63.07 3gkf s VAL 123 Cb 0.07 -3.40 0.18 0.00 0.00 0.00 0.00 36.38 33.23 3gkf s VAL 123 CO 0.12 0.08 1.04 0.00 0.00 0.00 0.00 175.10 176.34 3gkf n ALA 124 N 2.99 2.42 -3.50 5.51 0.00 0.54 -4.83 120.51 123.63 3gkf n ALA 124 Ca 0.09 -0.75 -0.11 0.00 0.00 0.00 0.00 53.44 52.68 3gkf n ALA 124 Cb 0.40 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.15 -0.44 0.38 0.00 0.05 -1.25 -4.92 118.68 111.35 3gkf s LEU 125 Ca 0.20 0.16 -0.16 0.00 0.05 0.00 0.00 54.13 54.38 3gkf s LEU 125 Cb 0.13 2.15 -0.09 0.00 -2.05 0.00 0.00 46.19 46.33 3gkf s LEU 125 CO 0.19 -0.63 0.82 -0.94 -0.55 0.00 0.00 176.35 175.23 3gkf s SER 126 N -2.12 6.77 0.47 1.48 1.04 -1.26 -4.92 113.70 115.16 3gkf s SER 126 Ca 0.01 1.39 0.13 0.00 0.48 0.00 0.00 55.95 57.96 3gkf s SER 126 Cb -0.01 -2.42 1.09 0.00 0.10 0.00 0.00 66.02 64.78 3gkf s SER 126 CO -0.06 -0.31 2.09 -0.03 0.98 0.00 0.00 173.24 175.92 3gkf h MET 127 N 1.91 0.25 -0.42 4.02 4.05 -1.97 -1.01 114.93 121.76 3gkf h MET 127 Ca -0.48 -0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.01 3gkf h MET 127 Cb 1.18 -0.06 -0.09 0.00 -0.80 0.00 0.00 31.60 31.83 3gkf h MET 127 CO 0.64 0.16 -0.30 0.22 0.23 0.00 0.00 176.91 177.86 3gkf h ASP 128 N 0.26 -1.01 0.08 1.39 3.58 -1.97 0.40 116.42 119.15 3gkf h ASP 128 Ca 0.10 0.19 -0.14 0.00 0.42 0.00 0.00 57.03 57.59 3gkf h ASP 128 Cb 0.08 0.49 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 3gkf h ASP 128 CO -0.02 -0.30 -0.50 -0.78 -2.88 0.00 0.00 179.24 174.76 3gkf h ASP 129 N -0.22 0.51 -0.93 2.28 3.58 -1.61 -1.41 116.42 118.62 3gkf h ASP 129 Ca 0.19 -0.25 0.01 0.00 0.42 0.00 0.00 57.03 57.39 3gkf h ASP 129 Cb 0.52 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.38 3gkf h ASP 129 CO -0.54 0.92 0.60 0.00 -2.88 0.00 0.00 179.24 177.34 3gkf h ALA 130 N 1.09 1.31 -0.21 -0.78 0.00 -0.25 0.15 119.26 120.57 3gkf h ALA 130 Ca 0.02 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3gkf h ALA 130 Cb 1.00 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3gkf h ALA 130 CO 0.09 0.63 -0.54 0.28 0.00 0.00 0.00 179.25 179.71 3gkf h VAL 131 N 1.27 1.31 0.00 0.00 2.07 -0.13 -2.30 116.25 118.47 3gkf h VAL 131 Ca 0.34 -1.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 3gkf h VAL 131 Cb -0.12 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3gkf h VAL 131 CO -0.07 0.55 -0.19 -0.09 0.02 0.00 0.00 177.57 177.79 3gkf h ARG 132 N 0.47 0.00 -0.28 1.57 2.43 0.05 -1.75 114.38 116.87 3gkf h ARG 132 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3gkf h ARG 132 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3gkf h ARG 132 CO 0.10 0.19 0.00 1.28 -1.51 0.00 0.00 179.97 180.03 3gkf n LEU 133 N -4.20 2.16 -3.61 3.80 4.77 0.35 -4.95 117.00 115.32 3gkf n LEU 133 Ca -0.02 -0.96 -0.22 0.00 -0.03 0.00 0.00 56.01 54.77 3gkf n LEU 133 Cb 0.26 -0.18 0.07 0.00 -2.33 0.00 0.00 43.42 41.24 3gkf n LEU 133 CO 0.36 0.48 0.15 -3.20 -1.33 0.00 0.00 177.39 173.84 3gkf n ASN 134 N 0.66 -4.17 -4.80 -1.43 5.15 -0.66 -4.96 115.26 105.05 3gkf n ASN 134 Ca 0.16 -0.63 -0.33 0.00 -0.60 0.00 0.00 54.58 53.18 3gkf n ASN 134 Cb 0.39 -4.77 0.01 0.00 -0.53 0.00 0.00 39.78 34.87 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 -3.77 5.79 0.11 1.20 0.01 -0.90 -4.75 113.70 111.40 3gkf s SER 135 Ca 0.35 1.84 0.17 0.00 1.31 0.00 0.00 55.95 59.61 3gkf s SER 135 Cb -0.16 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.45 3gkf s SER 135 CO 0.76 -1.16 0.96 0.00 0.41 0.00 0.00 173.24 174.21 3gkf s ALA 137 N -2.97 -1.65 0.04 0.00 0.00 -1.20 -4.13 121.76 111.84 3gkf s ALA 137 Ca -0.01 0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.27 3gkf s ALA 137 Cb 0.09 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 3gkf s ALA 137 CO 0.80 -0.98 -0.24 0.14 0.00 0.00 0.00 175.76 175.48 3gkf s VAL 138 N -3.31 1.91 0.05 0.00 -7.23 -0.87 -1.27 120.40 109.69 3gkf s VAL 138 Ca 0.11 -1.27 0.06 0.00 -1.81 0.00 0.00 61.98 59.07 3gkf s VAL 138 Cb -0.02 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 3gkf s VAL 138 CO 0.01 0.32 -0.18 0.00 -0.31 0.00 0.00 175.10 174.93 3gkf s ALA 139 N -0.77 1.52 0.09 1.32 0.00 0.66 -0.48 121.76 124.09 3gkf s ALA 139 Ca 0.10 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 3gkf s ALA 139 Cb -0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 3gkf s ALA 139 CO 0.02 0.31 0.15 0.00 0.00 0.00 0.00 175.76 176.24 3gkf s ALA 140 N -0.90 0.01 -0.09 0.00 0.00 -0.57 0.14 121.76 120.35 3gkf s ALA 140 Ca 0.05 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 51.09 3gkf s ALA 140 Cb -0.09 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 3gkf s ALA 140 CO 0.02 -0.49 0.24 -0.65 0.00 0.00 0.00 175.76 174.88 3gkf s GLN 141 N -3.89 3.71 -0.05 0.00 -1.52 -1.26 -0.92 119.66 115.72 3gkf s GLN 141 Ca 0.08 0.06 0.03 0.00 -1.95 0.00 0.00 55.36 53.58 3gkf s GLN 141 Cb 0.05 -3.23 -0.03 0.00 -0.22 0.00 0.00 33.01 29.58 3gkf s GLN 141 CO -0.09 0.67 -0.12 0.54 -0.25 0.00 0.00 175.29 176.04 3gkf s VAL 142 N -0.83 3.23 -0.59 1.09 0.11 0.99 -4.78 120.40 119.62 3gkf s VAL 142 Ca 0.18 -0.67 0.06 0.00 -2.93 0.00 0.00 61.98 58.62 3gkf s VAL 142 Cb -0.14 -2.28 0.25 0.00 -1.53 0.00 0.00 36.38 32.68 3gkf s VAL 142 CO 0.07 0.58 0.70 -1.22 -3.33 0.00 0.00 175.10 171.90 3gkf n TYR 143 N 2.25 2.86 -1.75 1.54 4.01 -1.26 -0.78 117.16 124.04 3gkf n TYR 143 Ca -0.17 -4.04 -0.42 0.00 -0.16 0.00 0.00 57.90 53.10 3gkf n TYR 143 Cb 0.52 -0.52 -0.01 0.00 -0.31 0.00 0.00 39.34 39.03 3gkf n TYR 143 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3gkf n ILE 144 N 1.00 1.70 0.00 -0.72 2.08 -1.26 -1.74 119.36 120.41 3gkf n ILE 144 Ca 0.28 -0.42 0.00 0.00 0.56 0.00 0.00 62.75 63.17 3gkf n ILE 144 Cb 0.43 -1.87 0.00 0.00 -0.75 0.00 0.00 39.64 37.45 3gkf n ILE 144 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gkf n GLY 145 N 1.03 2.71 3.94 7.39 0.00 -1.26 -4.95 105.19 114.06 3gkf n GLY 145 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 3gkf n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gkf s SER 146 N -2.23 4.41 0.30 1.61 0.01 -0.71 -4.98 113.70 112.10 3gkf s SER 146 Ca 0.00 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.54 3gkf s SER 146 Cb 0.00 -0.77 0.47 0.00 0.21 0.00 0.00 66.02 65.94 3gkf s SER 146 CO 0.00 -1.86 1.88 -0.08 0.41 0.00 0.00 173.24 173.58 3gkf h GLU 147 N -0.79 0.80 -1.01 12.44 4.81 -1.94 -3.03 114.58 125.86 3gkf h GLU 147 Ca -0.43 -0.13 -0.63 0.00 -0.13 0.00 0.00 59.36 58.03 3gkf h GLU 147 Cb 1.29 -0.14 -0.35 0.00 0.63 0.00 0.00 28.75 30.19 3gkf h GLU 147 CO 0.53 0.68 0.17 0.66 -0.73 0.00 0.00 179.01 180.31 3gkf n TYR 148 N -4.31 3.05 0.07 0.92 4.01 -1.26 -4.65 117.16 114.98 3gkf n TYR 148 Ca 0.04 -2.68 -0.01 0.00 -0.16 0.00 0.00 57.90 55.08 3gkf n TYR 148 Cb 0.18 -0.94 0.26 0.00 -0.31 0.00 0.00 39.34 38.53 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 2.17 0.33 0.12 -0.72 4.81 -1.67 -1.91 114.58 117.72 3gkf h GLU 149 Ca 0.50 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 3gkf h GLU 149 Cb 1.03 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3gkf h GLU 149 CO 1.23 0.59 -0.06 1.25 -0.73 0.00 0.00 179.01 181.29 3gkf h HIS 150 N 0.30 -0.15 -0.94 0.92 2.76 -1.87 -2.39 115.15 113.77 3gkf h HIS 150 Ca 0.04 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.26 3gkf h HIS 150 Cb 0.65 0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.60 3gkf h HIS 150 CO 0.01 0.16 0.61 0.37 -1.30 0.00 0.00 177.93 177.78 3gkf h GLN 151 N -0.46 1.12 -0.85 5.26 5.75 -1.91 -1.50 115.11 122.51 3gkf h GLN 151 Ca -0.02 -0.07 0.06 0.00 -0.15 0.00 0.00 58.65 58.47 3gkf h GLN 151 Cb 0.38 -0.25 -0.06 0.00 1.07 0.00 0.00 27.48 28.61 3gkf h GLN 151 CO 0.03 0.74 0.53 0.66 -2.65 0.00 0.00 178.83 178.14 3gkf h SER 152 N 1.15 0.84 -0.17 -0.69 4.64 -0.98 0.82 113.55 119.16 3gkf h SER 152 Ca 0.39 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.58 3gkf h SER 152 Cb 0.07 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3gkf h SER 152 CO -0.14 0.54 -0.45 0.40 -0.87 0.00 0.00 176.83 176.31 3gkf h ILE 153 N 0.97 1.34 -0.94 0.95 2.04 -0.89 -2.42 117.51 118.55 3gkf h ILE 153 Ca 0.37 -1.71 0.17 0.00 1.00 0.00 0.00 64.86 64.69 3gkf h ILE 153 Cb 0.15 1.98 -0.08 0.00 -0.74 0.00 0.00 36.82 38.12 3gkf h ILE 153 CO -0.17 0.52 0.60 0.11 0.00 0.00 0.00 178.15 179.22 3gkf h LYS 154 N 0.25 0.67 -0.58 2.37 1.57 -0.77 0.36 116.57 120.43 3gkf h LYS 154 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3gkf h LYS 154 Cb 1.07 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 3gkf h LYS 154 CO 0.10 0.44 0.33 -0.91 -0.57 0.00 0.00 179.45 178.84 3gkf h ASN 155 N 0.69 0.72 -0.51 0.86 2.35 -0.38 0.88 115.58 120.18 3gkf h ASN 155 Ca 0.50 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 56.11 3gkf h ASN 155 Cb 0.85 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 3gkf h ASN 155 CO -0.26 0.59 0.09 0.40 -1.65 0.00 0.00 177.43 176.61 3gkf h ILE 156 N 0.78 1.25 -0.23 2.81 1.08 -0.09 -1.89 117.51 121.22 3gkf h ILE 156 Ca 0.21 -0.91 0.02 0.00 -0.39 0.00 0.00 64.86 63.78 3gkf h ILE 156 Cb 0.02 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 3gkf h ILE 156 CO -0.03 0.33 0.10 0.40 -0.69 0.00 0.00 178.15 178.25 3gkf h ILE 157 N 0.72 0.97 -0.64 -0.67 2.04 -0.21 -0.24 117.51 119.48 3gkf h ILE 157 Ca 0.16 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 3gkf h ILE 157 Cb 0.38 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3gkf h ILE 157 CO 0.01 0.04 0.25 -0.61 0.00 0.00 0.00 178.15 177.84 3gkf h GLN 158 N 0.22 0.94 -0.26 2.37 4.15 -0.57 -0.13 115.11 121.81 3gkf h GLN 158 Ca 0.10 -0.15 -0.12 0.00 0.77 0.00 0.00 58.65 59.24 3gkf h GLN 158 Cb 0.04 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3gkf h GLN 158 CO -0.08 0.77 -0.34 -0.07 -1.93 0.00 0.00 178.83 177.18 3gkf h LEU 159 N 0.92 0.59 -0.40 -2.39 3.38 -0.78 -2.28 115.31 114.35 3gkf h LEU 159 Ca 0.22 -0.24 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 3gkf h LEU 159 Cb 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3gkf h LEU 159 CO -0.02 0.89 -0.36 0.58 0.09 0.00 0.00 178.44 179.63 3gkf h VAL 160 N 0.48 1.27 -0.92 1.22 2.07 -0.20 0.90 116.25 121.07 3gkf h VAL 160 Ca 0.05 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.04 3gkf h VAL 160 Cb 0.82 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 3gkf h VAL 160 CO 0.07 0.51 0.58 0.44 0.02 0.00 0.00 177.57 179.19 3gkf h ASP 161 N 0.76 1.08 -0.14 0.57 3.32 -0.85 -0.19 116.42 120.97 3gkf h ASP 161 Ca 0.07 -0.05 -0.22 0.00 0.02 0.00 0.00 57.03 56.85 3gkf h ASP 161 Cb 0.95 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 40.24 3gkf h ASP 161 CO 0.09 0.81 -0.78 0.00 -1.72 0.00 0.00 179.24 177.64 3gkf h ALA 162 N 1.32 0.28 -0.24 3.45 0.00 -1.28 -3.26 119.26 119.52 3gkf h ALA 162 Ca 0.33 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3gkf h ALA 162 Cb -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3gkf h ALA 162 CO -0.07 0.65 -0.26 0.78 0.00 0.00 0.00 179.25 180.36 3gkf h GLY 163 N 0.49 0.50 1.87 0.00 0.00 -0.25 -2.47 103.07 103.22 3gkf h GLY 163 Ca -0.06 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 3gkf h GLY 163 CO 0.16 0.37 -0.25 -0.33 0.00 0.00 0.00 176.54 176.49 3gkf h MET 164 N 0.41 0.15 0.00 4.80 2.07 -1.10 0.71 114.93 121.97 3gkf h MET 164 Ca 0.06 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.62 3gkf h MET 164 Cb 0.67 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.38 3gkf h MET 164 CO 0.05 0.40 -0.10 0.87 1.07 0.00 0.00 176.91 179.20 3gkf h LYS 165 N 0.14 0.00 0.00 1.72 1.57 -1.49 -3.34 116.57 115.17 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 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3gkf h LYS 165 CO 0.04 0.10 0.00 1.55 -0.57 0.00 0.00 179.45 180.57 3gkf n VAL 166 N -3.39 0.00 -0.65 0.50 3.14 -0.01 -5.01 118.33 112.92 3gkf n VAL 166 Ca -0.01 -0.27 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 3gkf n VAL 166 Cb 0.28 1.36 0.00 0.00 -1.06 0.00 0.00 33.84 34.41 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 0.12 0.60 3.57 7.55 0.00 0.23 -4.97 105.19 112.29 3gkf n GLY 167 Ca 0.00 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.28 3.82 0.59 1.61 0.00 -0.36 -3.90 119.30 119.78 3gkf s MET 168 Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 55.69 55.16 3gkf s MET 168 Cb 0.00 -3.71 -0.04 0.00 0.00 0.00 0.00 34.83 31.09 3gkf s MET 168 CO 0.00 -0.29 1.11 -2.14 0.00 0.00 0.00 175.02 173.70 3gkf s PRO 169 N 1.82 3.18 -0.09 4.11 0.02 -1.26 -4.36 135.00 138.43 3gkf s PRO 169 Ca 0.08 1.47 0.02 0.00 0.02 0.00 0.00 61.00 62.60 3gkf s PRO 169 Cb -0.16 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.34 3gkf s PRO 169 CO 0.11 -0.96 -0.16 0.99 -0.33 0.00 0.00 177.00 176.65 3gkf s THR 170 N -2.07 2.81 -0.22 0.99 2.01 -1.26 -2.04 115.64 115.86 3gkf s THR 170 Ca 0.69 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.85 3gkf s THR 170 Cb -0.21 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 3gkf s THR 170 CO 0.33 0.56 0.03 -0.32 -0.69 0.00 0.00 174.62 174.53 3gkf s MET 171 N -0.09 3.65 -0.21 4.92 1.75 0.37 -0.91 119.30 128.77 3gkf s MET 171 Ca -0.03 -0.49 -0.12 0.00 -1.25 0.00 0.00 55.69 53.80 3gkf s MET 171 Cb -0.14 -3.20 -0.05 0.00 2.84 0.00 0.00 34.83 34.29 3gkf s MET 171 CO 0.04 -0.07 0.21 0.00 -0.65 0.00 0.00 175.02 174.55 3gkf s ALA 172 N 1.25 3.62 -0.14 4.11 0.00 -0.18 -1.51 121.76 128.90 3gkf s ALA 172 Ca 0.04 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 3gkf s ALA 172 Cb -0.15 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 3gkf s ALA 172 CO 0.02 -0.08 -0.03 0.08 0.00 0.00 0.00 175.76 175.75 3gkf s VAL 173 N 0.84 3.95 -0.41 0.00 1.01 -0.10 -0.79 120.40 124.89 3gkf s VAL 173 Ca 0.11 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 3gkf s VAL 173 Cb -0.13 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.56 3gkf s VAL 173 CO 0.03 0.52 0.78 0.42 0.00 0.00 0.00 175.10 176.85 3gkf s THR 174 N 0.09 4.69 0.07 3.92 -4.23 -0.73 -0.01 115.64 119.46 3gkf s THR 174 Ca -0.00 0.60 -0.02 0.00 -1.18 0.00 0.00 61.69 61.09 3gkf s THR 174 Cb -0.13 -4.27 -0.04 0.00 1.34 0.00 0.00 72.50 69.39 3gkf s THR 174 CO 0.03 -0.59 0.25 -0.83 -0.54 0.00 0.00 174.62 172.93 3gkf s GLY 175 N 2.01 2.20 0.00 3.99 0.00 0.04 -4.83 107.32 110.74 3gkf s GLY 175 Ca 0.30 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.27 3gkf s GLY 175 CO 0.20 -0.70 0.00 -0.62 0.00 0.00 0.00 173.10 171.98 3gkf n VAL 176 N 0.34 0.00 -2.21 1.40 0.31 -1.26 -4.36 118.33 112.55 3gkf n VAL 176 Ca -0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.24 3gkf n VAL 176 Cb 0.51 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.46 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 0.46 -4.11 5.55 0.63 -1.26 -5.06 116.66 112.87 3gkf n ARG 182 Ca 0.00 -0.87 -0.28 0.00 -0.92 0.00 0.00 57.85 55.79 3gkf n ARG 182 Cb 0.00 0.43 -0.03 0.00 0.45 0.00 0.00 32.46 33.32 3gkf n ARG 182 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3gkf s ASP 183 N -0.84 4.50 0.12 6.15 -4.77 -1.26 -4.97 116.67 115.60 3gkf s ASP 183 Ca 0.03 -1.33 -0.23 0.00 -3.30 0.00 0.00 52.55 47.72 3gkf s ASP 183 Cb 0.15 0.38 -0.06 0.00 -1.09 0.00 0.00 42.92 42.30 3gkf s ASP 183 CO -0.04 -1.01 1.68 -0.61 0.70 0.00 0.00 175.17 175.89 3gkf h GLN 184 N 0.94 -0.19 -0.95 2.11 -0.00 -1.92 -1.71 115.11 113.39 3gkf h GLN 184 Ca -0.39 0.01 0.16 0.00 -0.00 0.00 0.00 58.65 58.44 3gkf h GLN 184 Cb 1.30 0.04 -0.10 0.00 0.00 0.00 0.00 27.48 28.73 3gkf h GLN 184 CO 0.62 -0.12 0.55 0.07 0.00 0.00 0.00 178.83 179.95 3gkf h ARG 185 N -0.19 0.72 0.46 1.69 0.11 -1.94 0.24 114.38 115.47 3gkf h ARG 185 Ca 0.06 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.07 3gkf h ARG 185 Cb 0.28 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.20 3gkf h ARG 185 CO -0.16 0.48 -0.22 -0.92 0.10 0.00 0.00 179.97 179.25 3gkf h TYR 186 N 0.75 -0.57 0.00 4.08 3.20 -1.73 -2.27 116.97 120.43 3gkf h TYR 186 Ca 0.53 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.36 3gkf h TYR 186 Cb 0.75 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 3gkf h TYR 186 CO -0.04 -0.30 -0.11 0.74 -1.64 0.00 0.00 178.16 176.81 3gkf h PHE 187 N -0.73 0.00 0.10 -3.82 0.04 -0.77 -1.10 116.94 110.68 3gkf h PHE 187 Ca -0.06 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 3gkf h PHE 187 Cb 0.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.68 3gkf h PHE 187 CO -0.02 0.11 -0.05 0.77 -0.60 0.00 0.00 178.31 178.52 3gkf h SER 188 N 0.00 -0.12 0.14 2.17 0.02 -0.38 0.29 113.55 115.68 3gkf h SER 188 Ca -0.00 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3gkf h SER 188 Cb 0.24 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 3gkf h SER 188 CO 0.01 -0.02 -0.34 0.25 -1.14 0.00 0.00 176.83 175.59 3gkf h LEU 189 N -0.21 -0.98 -0.28 5.07 5.85 -0.74 -1.39 115.31 122.64 3gkf h LEU 189 Ca -0.01 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3gkf h LEU 189 Cb 0.17 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3gkf h LEU 189 CO 0.02 -0.43 0.14 0.00 -0.34 0.00 0.00 178.44 177.83 3gkf h ALA 190 N 0.03 0.36 -0.62 1.25 0.00 -1.05 -1.02 119.26 118.20 3gkf h ALA 190 Ca 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3gkf h ALA 190 Cb 0.60 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3gkf h ALA 190 CO -0.19 -0.09 0.18 1.79 0.00 0.00 0.00 179.25 180.94 3gkf h THR 191 N 0.32 1.25 -0.31 0.00 1.35 -0.37 -2.42 112.91 112.73 3gkf h THR 191 Ca 0.10 -0.87 -0.13 0.00 -0.55 0.00 0.00 66.41 64.96 3gkf h THR 191 Cb 0.10 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 67.15 3gkf h THR 191 CO -0.01 0.33 -0.31 -0.09 -0.25 0.00 0.00 175.52 175.19 3gkf h ARG 192 N 0.90 0.76 -0.19 4.72 9.65 -0.91 -0.22 114.38 129.09 3gkf h ARG 192 Ca 0.20 -0.40 0.01 0.00 -1.10 0.00 0.00 59.98 58.68 3gkf h ARG 192 Cb 0.31 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 3gkf h ARG 192 CO -0.00 1.03 0.10 0.82 2.80 0.00 0.00 179.97 184.72 3gkf h ILE 193 N 0.53 1.01 -0.46 1.20 2.04 -1.17 0.79 117.51 121.45 3gkf h ILE 193 Ca 0.05 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.86 3gkf h ILE 193 Cb 0.89 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 3gkf h ILE 193 CO 0.08 0.04 0.26 0.00 0.00 0.00 0.00 178.15 178.52 3gkf h ALA 194 N 1.09 0.59 -0.73 1.87 0.00 -1.18 0.98 119.26 121.88 3gkf h ALA 194 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3gkf h ALA 194 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3gkf h ALA 194 CO -0.04 -0.07 0.23 0.00 0.00 0.00 0.00 179.25 179.37 3gkf h ALA 195 N 1.22 1.03 -0.41 0.00 0.00 -0.76 -2.39 119.26 117.95 3gkf h ALA 195 Ca 0.19 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3gkf h ALA 195 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3gkf h ALA 195 CO -0.11 0.65 -0.31 1.49 0.00 0.00 0.00 179.25 180.98 3gkf h GLU 196 N 1.08 0.92 -0.50 0.00 4.57 -0.32 -1.88 114.58 118.45 3gkf h GLU 196 Ca 0.24 -0.44 0.04 0.00 -1.18 0.00 0.00 59.36 58.02 3gkf h GLU 196 Cb 0.30 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 3gkf h GLU 196 CO -0.01 1.09 0.33 0.52 -1.18 0.00 0.00 179.01 179.77 3gkf h MET 197 N 0.77 0.52 0.00 1.92 2.86 -0.33 -3.46 114.93 117.21 3gkf h MET 197 Ca 0.08 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3gkf h MET 197 Cb 0.89 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.43 3gkf h MET 197 CO 0.08 0.35 0.00 0.41 1.06 0.00 0.00 176.91 178.81 3gkf n GLY 198 N -1.48 -0.36 3.75 8.32 0.00 -0.71 -4.94 105.19 109.77 3gkf n GLY 198 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3gkf n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf s ALA 199 N 0.00 3.63 0.00 4.61 0.00 -1.09 -4.83 121.76 124.09 3gkf s ALA 199 Ca 0.00 1.39 0.11 0.00 0.00 0.00 0.00 51.96 53.45 3gkf s ALA 199 Cb 0.00 -3.57 -0.14 0.00 0.00 0.00 0.00 23.12 19.41 3gkf s ALA 199 CO 0.00 -0.80 1.17 1.96 0.00 0.00 0.00 175.76 178.08 3gkf h GLN 200 N 4.67 0.00 -5.29 0.00 7.50 -1.36 -3.42 115.11 117.21 3gkf h GLN 200 Ca -0.47 0.00 -0.57 0.00 0.50 0.00 0.00 58.65 58.11 3gkf h GLN 200 Cb 1.22 0.00 -0.32 0.00 0.05 0.00 0.00 27.48 28.44 3gkf h GLN 200 CO 0.76 0.73 -0.84 0.42 -1.50 0.00 0.00 178.83 178.39 3gkf s ILE 201 N -2.77 1.48 -0.11 2.54 1.01 -0.83 -3.72 121.20 118.80 3gkf s ILE 201 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.92 3gkf s ILE 201 Cb 0.09 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 3gkf s ILE 201 CO 0.80 0.43 -0.11 -0.63 0.00 0.00 0.00 174.94 175.43 3gkf s ILE 202 N 0.09 3.27 -0.10 2.92 -1.09 -0.48 -1.02 121.20 124.80 3gkf s ILE 202 Ca -0.05 -0.60 0.04 0.00 -2.23 0.00 0.00 60.65 57.80 3gkf s ILE 202 Cb -0.12 -2.36 -0.00 0.00 -1.58 0.00 0.00 42.46 38.40 3gkf s ILE 202 CO 0.03 0.54 -0.24 -0.75 -1.23 0.00 0.00 174.94 173.29 3gkf s LYS 203 N -0.03 2.96 0.28 2.79 2.20 0.03 -0.62 119.74 127.35 3gkf s LYS 203 Ca -0.02 -0.87 -0.07 0.00 -0.36 0.00 0.00 55.97 54.65 3gkf s LYS 203 Cb -0.14 -2.26 0.03 0.00 -1.51 0.00 0.00 37.83 33.95 3gkf s LYS 203 CO 0.04 0.19 0.49 -2.37 -0.36 0.00 0.00 175.35 173.34 3gkf n THR 204 N 3.48 0.00 -3.94 3.43 5.66 0.10 -1.76 114.28 121.25 3gkf n THR 204 Ca -0.19 -1.01 -0.30 0.00 -3.05 0.00 0.00 64.05 59.50 3gkf n THR 204 Cb 0.53 0.78 -0.04 0.00 -1.55 0.00 0.00 70.33 70.04 3gkf n THR 204 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3gkf s TYR 205 N -3.72 3.49 0.48 1.09 2.02 -1.26 0.26 117.35 119.71 3gkf s TYR 205 Ca 0.16 0.21 -0.19 0.00 -0.37 0.00 0.00 57.07 56.88 3gkf s TYR 205 Cb -0.02 -1.73 -0.09 0.00 -0.40 0.00 0.00 41.96 39.72 3gkf s TYR 205 CO 0.12 0.57 0.99 -0.47 -1.57 0.00 0.00 175.55 175.20 3gkf s TYR 206 N -1.54 3.22 -0.04 2.71 5.04 -1.26 -4.94 117.35 120.54 3gkf s TYR 206 Ca 0.34 1.56 0.01 0.00 -2.44 0.00 0.00 57.07 56.55 3gkf s TYR 206 Cb -0.13 -2.91 0.02 0.00 0.35 0.00 0.00 41.96 39.29 3gkf s TYR 206 CO 0.28 -0.48 -0.06 0.08 -1.34 0.00 0.00 175.55 174.03 3gkf s VAL 207 N -2.26 0.61 0.35 3.14 1.01 -1.26 -5.03 120.40 116.95 3gkf s VAL 207 Ca 0.63 -0.20 0.11 0.00 0.00 0.00 0.00 61.98 62.52 3gkf s VAL 207 Cb -0.12 -0.60 0.08 0.00 0.00 0.00 0.00 36.38 35.75 3gkf s VAL 207 CO 0.22 0.23 1.80 -0.33 0.00 0.00 0.00 175.10 177.01 3gkf h GLU 208 N 6.91 0.09 -5.03 2.72 5.08 -1.97 -3.35 114.58 119.03 3gkf h GLU 208 Ca -0.36 -0.03 -0.66 0.00 -1.00 0.00 0.00 59.36 57.30 3gkf h GLU 208 Cb 1.16 -0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.06 3gkf h GLU 208 CO 0.48 0.44 -0.86 0.21 -1.00 0.00 0.00 179.01 178.28 3gkf s LYS 209 N -4.22 2.92 0.00 2.33 2.20 -1.26 -4.80 119.74 116.91 3gkf s LYS 209 Ca -0.03 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 3gkf s LYS 209 Cb 0.14 -2.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 3gkf s LYS 209 CO 0.74 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.95 3gkf n GLY 210 N 4.56 0.74 0.32 5.54 0.00 -1.26 -4.41 105.19 110.67 3gkf n GLY 210 Ca -0.20 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 0.30 -0.96 1.61 3.57 -1.87 -1.24 116.94 118.35 3gkf h PHE 211 Ca 0.00 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.57 3gkf h PHE 211 Cb 0.00 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 3gkf h PHE 211 CO 0.00 0.17 0.61 0.93 -2.23 0.00 0.00 178.31 177.79 3gkf h GLU 212 N 0.31 1.08 -0.39 1.11 5.08 -1.92 -0.42 114.58 119.43 3gkf h GLU 212 Ca 0.16 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3gkf h GLU 212 Cb 0.23 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3gkf h GLU 212 CO -0.03 0.72 -0.03 0.00 -1.00 0.00 0.00 179.01 178.66 3gkf h ARG 213 N 1.11 0.64 -0.05 2.33 3.08 -1.61 0.13 114.38 120.01 3gkf h ARG 213 Ca 0.41 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 3gkf h ARG 213 Cb 0.16 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3gkf h ARG 213 CO -0.17 0.68 0.01 0.82 -1.07 0.00 0.00 179.97 180.24 3gkf h ILE 214 N 0.60 1.21 -0.04 2.04 2.04 -1.01 -0.39 117.51 121.96 3gkf h ILE 214 Ca 0.12 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3gkf h ILE 214 Cb 0.43 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3gkf h ILE 214 CO 0.02 0.17 0.03 0.58 0.00 0.00 0.00 178.15 178.95 3gkf h VAL 215 N -0.16 1.02 -0.64 1.67 2.07 -0.99 -2.39 116.25 116.83 3gkf h VAL 215 Ca 0.02 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3gkf h VAL 215 Cb 0.27 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3gkf h VAL 215 CO 0.00 0.02 0.35 0.00 0.02 0.00 0.00 177.57 177.97 3gkf h ALA 216 N 1.00 1.42 0.00 1.67 0.00 -0.67 -1.29 119.26 121.39 3gkf h ALA 216 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gkf h ALA 216 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3gkf h ALA 216 CO -0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.14 3gkf n GLY 217 N -1.25 -1.56 3.72 0.00 0.00 -0.17 -4.74 105.19 101.19 3gkf n GLY 217 Ca 0.06 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 3.71 1.54 -4.30 0.00 -0.04 -1.26 -4.90 135.00 129.74 3gkf n PRO 219 Ca -0.11 -0.78 -0.16 0.00 -0.04 0.00 0.00 63.50 62.41 3gkf n PRO 219 Cb 0.52 -1.47 -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 -1.98 0.57 0.41 0.52 -7.23 -1.26 -3.42 120.40 108.00 3gkf s VAL 220 Ca 0.39 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.30 3gkf s VAL 220 Cb 0.21 -2.56 -0.10 0.00 0.56 0.00 0.00 36.38 34.49 3gkf s VAL 220 CO 0.33 -0.07 1.34 -2.65 -0.31 0.00 0.00 175.10 173.74 3gkf n PRO 221 N -0.43 2.12 -4.91 4.82 -0.02 -1.24 -4.79 135.00 130.54 3gkf n PRO 221 Ca -0.01 0.75 -0.33 0.00 -2.02 0.00 0.00 63.50 61.90 3gkf n PRO 221 Cb 0.66 -2.47 -0.14 0.00 -0.02 0.00 0.00 33.50 31.53 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 -1.17 2.92 0.03 4.25 1.01 -1.26 -1.39 121.20 125.59 3gkf s ILE 222 Ca 0.59 -0.76 0.09 0.00 0.00 0.00 0.00 60.65 60.57 3gkf s ILE 222 Cb -0.50 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 3gkf s ILE 222 CO 0.59 0.57 -0.26 -0.69 0.00 0.00 0.00 174.94 175.15 3gkf s VAL 223 N -0.35 2.06 -0.08 2.92 1.01 0.21 0.21 120.40 126.38 3gkf s VAL 223 Ca 0.03 -1.28 -0.01 0.00 0.00 0.00 0.00 61.98 60.72 3gkf s VAL 223 Cb -0.12 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 3gkf s VAL 223 CO 0.02 0.42 -0.04 0.27 0.00 0.00 0.00 175.10 175.77 3gkf s ILE 224 N -0.74 3.96 0.33 2.22 -4.36 -0.96 0.00 121.20 121.65 3gkf s ILE 224 Ca 0.11 -0.38 -0.18 0.00 -0.26 0.00 0.00 60.65 59.94 3gkf s ILE 224 Cb -0.10 -2.65 -0.09 0.00 1.25 0.00 0.00 42.46 40.87 3gkf s ILE 224 CO 0.01 0.59 0.80 0.00 0.24 0.00 0.00 174.94 176.59 3gkf s ALA 225 N -0.76 3.26 0.12 2.27 0.00 0.14 0.13 121.76 126.91 3gkf s ALA 225 Ca 0.12 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 3gkf s ALA 225 Cb -0.11 -2.90 -0.12 0.00 0.00 0.00 0.00 23.12 19.99 3gkf s ALA 225 CO 0.02 0.27 1.34 0.78 0.00 0.00 0.00 175.76 178.17 3gkf h GLY 226 N 2.40 0.84 0.00 0.00 0.00 -0.86 -3.39 103.07 102.06 3gkf h GLY 226 Ca -0.48 -1.15 0.00 0.00 0.00 0.00 0.00 47.33 45.70 3gkf h GLY 226 CO 0.64 1.03 0.00 0.61 0.00 0.00 0.00 176.54 178.82 3gkf n GLY 227 N 0.64 -1.24 3.67 4.60 0.00 -1.26 -4.90 105.19 106.69 3gkf n GLY 227 Ca -0.07 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 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 1.03 -1.70 1.61 2.85 -1.26 -4.43 118.16 116.27 3gkf n LYS 228 Ca 0.00 0.40 -0.43 0.00 -1.05 0.00 0.00 58.31 57.23 3gkf n LYS 228 Cb 0.00 -2.34 -0.01 0.00 -0.65 0.00 0.00 35.03 32.02 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 -1.38 2.19 -4.39 -1.58 3.00 -1.26 -4.82 118.16 109.92 3gkf n LYS 229 Ca 0.14 0.77 -0.20 0.00 -0.00 0.00 0.00 58.31 59.03 3gkf n LYS 229 Cb 0.47 -2.41 -0.10 0.00 0.00 0.00 0.00 35.03 32.99 3gkf n LYS 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3gkf s LEU 230 N -0.59 2.42 0.36 3.14 1.43 -1.26 -5.03 118.68 119.14 3gkf s LEU 230 Ca 0.61 -1.18 -0.28 0.00 -1.03 0.00 0.00 54.13 52.24 3gkf s LEU 230 Cb -0.58 -0.54 -0.11 0.00 0.03 0.00 0.00 46.19 44.98 3gkf s LEU 230 CO 0.56 -0.37 1.49 -0.81 0.23 0.00 0.00 176.35 177.45 3gkf n PRO 231 N -0.52 2.64 -0.17 1.29 -0.04 -1.26 -4.77 135.00 132.18 3gkf n PRO 231 Ca -0.06 0.93 -0.02 0.00 -0.04 0.00 0.00 63.50 64.31 3gkf n PRO 231 Cb 0.63 -2.66 0.06 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 3.21 0.10 -0.81 0.54 3.07 -1.99 0.12 114.58 118.82 3gkf h GLU 232 Ca -0.50 -0.01 0.19 0.00 -0.50 0.00 0.00 59.36 58.55 3gkf h GLU 232 Cb 1.24 -0.02 -0.12 0.00 -0.84 0.00 0.00 28.75 29.01 3gkf h GLU 232 CO 0.66 0.07 0.25 -0.09 -1.40 0.00 0.00 179.01 178.50 3gkf h ARG 233 N 0.10 0.29 -0.30 2.33 1.12 -1.98 0.17 114.38 116.12 3gkf h ARG 233 Ca 0.26 -0.02 -0.15 0.00 -1.11 0.00 0.00 59.98 58.96 3gkf h ARG 233 Cb 0.41 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.29 3gkf h ARG 233 CO -0.45 0.19 -0.43 0.93 -3.11 0.00 0.00 179.97 177.10 3gkf h GLU 234 N 0.30 0.76 -0.25 0.20 5.08 -1.14 -1.94 114.58 117.59 3gkf h GLU 234 Ca 0.48 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3gkf h GLU 234 Cb 0.88 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3gkf h GLU 234 CO -0.54 1.04 0.03 0.00 -1.00 0.00 0.00 179.01 178.54 3gkf h ALA 235 N 0.89 0.34 -0.85 3.43 0.00 -0.40 -1.40 119.26 121.28 3gkf h ALA 235 Ca 0.04 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3gkf h ALA 235 Cb 0.99 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 3gkf h ALA 235 CO 0.09 0.03 0.54 -0.07 0.00 0.00 0.00 179.25 179.85 3gkf h LEU 236 N 0.23 0.90 -0.62 0.00 3.38 -0.68 0.85 115.31 119.38 3gkf h LEU 236 Ca 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gkf h LEU 236 Cb 0.35 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3gkf h LEU 236 CO 0.01 0.62 0.37 -0.08 0.09 0.00 0.00 178.44 179.45 3gkf h GLU 237 N 1.06 0.83 -0.22 1.13 4.22 -0.99 0.29 114.58 120.91 3gkf h GLU 237 Ca 0.34 -0.07 0.04 0.00 0.08 0.00 0.00 59.36 59.74 3gkf h GLU 237 Cb 0.01 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 3gkf h GLU 237 CO -0.12 0.59 -0.01 1.98 -2.18 0.00 0.00 179.01 179.28 3gkf h MET 238 N 0.83 0.05 0.02 1.92 4.05 -0.50 0.45 114.93 121.74 3gkf h MET 238 Ca 0.22 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.67 3gkf h MET 238 Cb -0.03 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.71 3gkf h MET 238 CO -0.04 0.03 -0.35 0.00 0.23 0.00 0.00 176.91 176.79 3gkf h TRP 240 N -0.51 0.94 -0.16 0.00 7.01 -0.01 -1.05 115.95 122.16 3gkf h TRP 240 Ca 0.05 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 3gkf h TRP 240 Cb 0.59 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 3gkf h TRP 240 CO -0.36 0.35 -0.03 1.96 -2.79 0.00 0.00 178.44 177.57 3gkf h GLN 241 N 0.83 0.31 -0.14 2.65 1.08 -0.46 -0.34 115.11 119.04 3gkf h GLN 241 Ca 0.44 -0.12 0.04 0.00 -1.45 0.00 0.00 58.65 57.57 3gkf h GLN 241 Cb 0.46 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.83 3gkf h GLN 241 CO -0.27 0.58 -0.14 0.00 -0.95 0.00 0.00 178.83 178.04 3gkf h ALA 242 N 0.72 -0.05 0.05 3.87 0.00 0.12 0.62 119.26 124.59 3gkf h ALA 242 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3gkf h ALA 242 Cb 0.46 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3gkf h ALA 242 CO 0.02 -0.59 -0.04 0.82 0.00 0.00 0.00 179.25 179.46 3gkf h ILE 243 N -0.17 0.91 -0.54 0.00 1.08 -1.20 -1.23 117.51 116.36 3gkf h ILE 243 Ca 0.10 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.70 3gkf h ILE 243 Cb 0.31 0.91 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 3gkf h ILE 243 CO -0.24 0.00 0.38 -0.78 -0.69 0.00 0.00 178.15 176.82 3gkf h ASP 244 N -0.09 0.12 -0.54 1.72 3.58 -0.69 0.18 116.42 120.70 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 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.11 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 2.98 0.00 0.28 6.02 0.18 -4.93 117.38 117.50 3gkf n GLN 245 Ca 0.10 -2.25 0.00 0.00 -0.01 0.00 0.00 57.00 54.83 3gkf n GLN 245 Cb 0.52 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.09 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 1.10 0.89 3.74 1.08 0.00 0.63 -4.60 105.19 108.02 3gkf n GLY 246 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3gkf n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf s ALA 247 N -2.00 2.37 -1.15 4.61 0.00 -0.55 -4.84 121.76 120.20 3gkf s ALA 247 Ca 0.00 0.93 0.22 0.00 0.00 0.00 0.00 51.96 53.10 3gkf s ALA 247 Cb 0.00 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 3gkf s ALA 247 CO 0.00 -1.47 0.98 0.43 0.00 0.00 0.00 175.76 175.70 3gkf n SER 248 N -2.12 1.10 -3.67 0.00 7.64 0.13 -4.63 113.62 112.07 3gkf n SER 248 Ca 0.13 -1.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.00 3gkf n SER 248 Cb 0.50 0.85 -0.01 0.00 -1.01 0.00 0.00 64.21 64.54 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 -2.92 -0.33 0.02 0.23 0.00 -1.12 -1.14 107.32 102.05 3gkf s GLY 249 Ca 0.10 0.48 0.03 0.00 0.00 0.00 0.00 44.72 45.33 3gkf s GLY 249 CO 0.81 0.09 -0.09 -1.34 0.00 0.00 0.00 173.10 172.56 3gkf s VAL 250 N -2.81 0.73 -0.28 1.40 -7.23 -1.02 -2.26 120.40 108.92 3gkf s VAL 250 Ca 0.13 -0.72 0.02 0.00 -1.81 0.00 0.00 61.98 59.60 3gkf s VAL 250 Cb 0.02 -0.67 0.06 0.00 0.56 0.00 0.00 36.38 36.35 3gkf s VAL 250 CO -0.01 -0.03 -0.07 -0.62 -0.31 0.00 0.00 175.10 174.05 3gkf s ASP 251 N -0.83 4.56 -0.48 4.85 2.15 0.34 -1.99 116.67 125.26 3gkf s ASP 251 Ca -0.01 -1.46 -0.18 0.00 0.43 0.00 0.00 52.55 51.33 3gkf s ASP 251 Cb -0.06 -1.58 0.05 0.00 -0.30 0.00 0.00 42.92 41.02 3gkf s ASP 251 CO 0.00 -0.22 0.53 -0.04 -0.17 0.00 0.00 175.17 175.27 3gkf s MET 252 N 1.10 3.09 0.00 4.34 -1.94 -1.25 -0.12 119.30 124.52 3gkf s MET 252 Ca -0.06 -0.95 0.00 0.00 -1.71 0.00 0.00 55.69 52.97 3gkf s MET 252 Cb -0.20 -4.07 0.00 0.00 2.01 0.00 0.00 34.83 32.57 3gkf s MET 252 CO -0.05 -1.08 0.00 0.41 -0.01 0.00 0.00 175.02 174.29 3gkf n GLY 253 N 5.16 1.23 0.37 -0.03 0.00 -1.26 -3.94 105.19 106.72 3gkf n GLY 253 Ca -0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 0.83 0.00 1.61 -0.00 -1.89 0.41 114.38 115.34 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 0.55 0.00 0.09 0.00 0.00 0.00 179.97 180.61 3gkf n ASN 255 N -4.57 0.00 -0.00 7.04 3.02 -1.26 -1.40 115.26 118.08 3gkf n ASN 255 Ca 0.17 0.35 -0.01 0.00 -0.03 0.00 0.00 54.58 55.06 3gkf n ASN 255 Cb 0.38 -0.39 -0.00 0.00 -0.61 0.00 0.00 39.78 39.16 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 0.59 0.31 2.41 5.41 0.14 -4.33 119.36 122.50 3gkf n ILE 256 Ca 0.02 0.24 0.17 0.00 1.00 0.00 0.00 62.75 64.18 3gkf n ILE 256 Cb 0.05 -1.49 0.98 0.00 -0.71 0.00 0.00 39.64 38.47 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 -0.17 0.00 0.00 1.39 -5.15 -1.44 -1.54 116.94 110.03 3gkf h PHE 257 Ca 0.00 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.68 3gkf h PHE 257 Cb 0.17 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.32 3gkf h PHE 257 CO -0.07 0.02 -1.03 1.96 -2.00 0.00 0.00 178.31 177.19 3gkf h GLN 258 N 0.00 0.00 -7.00 6.09 4.20 -1.45 -3.47 115.11 113.48 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 0.06 0.00 0.15 0.00 0.30 0.00 0.00 27.48 27.99 3gkf h GLN 258 CO 0.00 0.22 0.45 0.45 -0.67 0.00 0.00 178.83 179.28 3gkf n SER 259 N -2.90 2.00 0.26 1.46 2.88 -0.58 -4.87 113.62 111.87 3gkf n SER 259 Ca -0.04 0.89 0.15 0.00 -1.33 0.00 0.00 58.87 58.55 3gkf n SER 259 Cb 0.71 -1.52 0.65 0.00 -0.75 0.00 0.00 64.21 63.30 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 0.93 0.00 -2.24 -3.46 3.32 -1.91 -3.31 116.42 109.76 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 0.08 -0.80 1.41 -1.72 0.00 0.00 179.24 178.75 3gkf n HIS 261 N -3.23 1.88 0.35 4.55 8.25 -1.26 -5.00 115.22 120.76 3gkf n HIS 261 Ca 0.00 -3.90 -0.18 0.00 -0.26 0.00 0.00 57.72 53.37 3gkf n HIS 261 Cb 0.33 -0.43 -0.09 0.00 1.12 0.00 0.00 29.99 30.91 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 4.36 -0.99 -0.87 -0.41 0.11 -1.77 -2.27 132.00 130.15 3gkf h PRO 262 Ca 0.16 0.07 0.10 0.00 0.11 0.00 0.00 66.00 66.44 3gkf h PRO 262 Cb 0.76 0.23 -0.08 0.00 0.11 0.00 0.00 31.00 32.02 3gkf h PRO 262 CO 0.66 -0.66 0.51 0.28 -0.21 0.00 0.00 178.00 178.58 3gkf h VAL 263 N -1.03 0.91 -0.45 3.15 2.07 -1.94 0.94 116.25 119.90 3gkf h VAL 263 Ca -0.08 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.18 3gkf h VAL 263 Cb 0.86 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3gkf h VAL 263 CO 0.03 0.15 0.26 0.00 0.02 0.00 0.00 177.57 178.03 3gkf h ALA 264 N 1.48 0.57 -0.39 1.67 0.00 -1.83 -2.15 119.26 118.61 3gkf h ALA 264 Ca 0.42 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.39 3gkf h ALA 264 Cb 0.40 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3gkf h ALA 264 CO -0.25 -0.07 0.09 1.98 0.00 0.00 0.00 179.25 180.99 3gkf h MET 265 N 0.51 0.22 -0.72 0.00 -1.53 -0.26 -1.32 114.93 111.83 3gkf h MET 265 Ca 0.19 -0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.45 3gkf h MET 265 Cb 0.04 -0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 31.01 3gkf h MET 265 CO -0.10 0.14 0.47 0.52 0.14 0.00 0.00 176.91 178.08 3gkf h MET 266 N 0.22 0.92 0.00 0.39 2.86 -0.70 0.24 114.93 118.87 3gkf h MET 266 Ca 0.19 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 3gkf h MET 266 Cb 0.21 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3gkf h MET 266 CO -0.23 0.61 -0.28 0.87 1.06 0.00 0.00 176.91 178.94 3gkf h LYS 267 N 0.95 0.00 0.19 1.72 1.57 -0.90 0.60 116.57 120.70 3gkf h LYS 267 Ca 0.27 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3gkf h LYS 267 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3gkf h LYS 267 CO -0.07 0.28 -0.09 0.00 -0.57 0.00 0.00 179.45 179.00 3gkf h ALA 268 N 1.72 -0.25 -0.47 3.86 0.00 0.45 -1.87 119.26 122.70 3gkf h ALA 268 Ca -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3gkf h ALA 268 Cb 0.50 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3gkf h ALA 268 CO 0.04 -0.61 0.21 0.28 0.00 0.00 0.00 179.25 179.16 3gkf h VAL 269 N -0.31 1.20 -0.77 0.00 2.07 0.48 -1.76 116.25 117.15 3gkf h VAL 269 Ca -0.03 -0.59 0.12 0.00 0.82 0.00 0.00 66.70 67.02 3gkf h VAL 269 Cb 0.24 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 3gkf h VAL 269 CO 0.04 0.23 0.38 1.56 0.02 0.00 0.00 177.57 179.80 3gkf h GLN 270 N 0.62 0.57 0.39 1.57 4.20 0.23 0.06 115.11 122.75 3gkf h GLN 270 Ca 0.16 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3gkf h GLN 270 Cb 0.16 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3gkf h GLN 270 CO -0.02 0.38 -0.19 0.00 -0.67 0.00 0.00 178.83 178.34 3gkf h ALA 271 N 1.50 -0.52 -0.38 3.87 0.00 -0.76 -0.42 119.26 122.56 3gkf h ALA 271 Ca 0.40 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.22 3gkf h ALA 271 Cb 0.51 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3gkf h ALA 271 CO -0.32 -0.76 0.13 0.28 0.00 0.00 0.00 179.25 178.58 3gkf h VAL 272 N -0.58 0.89 0.33 0.00 2.07 -0.77 0.84 116.25 119.03 3gkf h VAL 272 Ca -0.05 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3gkf h VAL 272 Cb 0.44 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3gkf h VAL 272 CO 0.09 0.05 -0.16 0.58 0.02 0.00 0.00 177.57 178.15 3gkf h VAL 273 N 0.29 0.00 0.20 2.57 2.07 -0.84 -3.01 116.25 117.53 3gkf h VAL 273 Ca 0.17 -0.45 -0.27 0.00 0.82 0.00 0.00 66.70 66.96 3gkf h VAL 273 Cb 0.15 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 29.95 3gkf h VAL 273 CO -0.17 0.00 -1.22 0.45 0.02 0.00 0.00 177.57 176.65 3gkf h HIS 274 N -0.90 0.76 -0.00 1.57 -0.00 -1.18 -3.38 115.15 112.02 3gkf h HIS 274 Ca -0.05 -0.56 0.00 0.00 -0.00 0.00 0.00 60.37 59.77 3gkf h HIS 274 Cb 0.34 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 3gkf h HIS 274 CO 0.02 1.47 -0.80 0.72 -0.00 0.00 0.00 177.93 179.34 3gkf n HIS 275 N -3.89 0.00 -0.78 2.45 8.25 -0.58 -4.97 115.22 115.69 3gkf n HIS 275 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 3gkf n HIS 275 Cb 0.98 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 32.06 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 -1.08 -0.34 -4.52 0.41 3.02 0.18 -4.96 115.26 107.97 3gkf n ASN 276 Ca 0.06 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.21 3gkf n ASN 276 Cb 0.37 -0.06 0.03 0.00 -0.61 0.00 0.00 39.78 39.51 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 0.77 -1.75 3.52 -0.58 -1.02 -4.92 120.64 114.55 3gkf n GLU 277 Ca 0.00 0.29 -0.31 0.00 -0.42 0.00 0.00 57.16 56.72 3gkf n GLU 277 Cb 0.00 -1.82 0.03 0.00 -0.57 0.00 0.00 31.44 29.08 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 -1.54 4.27 0.22 2.62 -1.32 -1.26 -4.44 115.64 114.20 3gkf s THR 278 Ca 0.68 0.78 -0.08 0.00 -1.21 0.00 0.00 61.69 61.85 3gkf s THR 278 Cb -0.50 -3.57 0.18 0.00 -1.51 0.00 0.00 72.50 67.10 3gkf s THR 278 CO 0.54 -0.93 1.71 0.00 -2.21 0.00 0.00 174.62 173.73 3gkf h ALA 279 N -0.42 0.81 0.32 11.08 0.00 -1.91 -1.28 119.26 127.86 3gkf h ALA 279 Ca -0.44 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3gkf h ALA 279 Cb 1.20 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3gkf h ALA 279 CO 0.59 -0.29 -0.15 -0.44 0.00 0.00 0.00 179.25 178.95 3gkf h ASP 280 N 0.29 -0.36 -0.39 0.00 5.19 -1.97 0.93 116.42 120.11 3gkf h ASP 280 Ca 0.35 -0.07 0.08 0.00 -0.62 0.00 0.00 57.03 56.77 3gkf h ASP 280 Cb 0.53 0.09 -0.07 0.00 0.18 0.00 0.00 39.33 40.06 3gkf h ASP 280 CO -0.42 -0.15 -0.06 0.03 -3.12 0.00 0.00 179.24 175.52 3gkf h ARG 281 N -0.55 0.04 -0.25 3.56 3.08 -1.88 -0.26 114.38 118.10 3gkf h ARG 281 Ca -0.04 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.06 3gkf h ARG 281 Cb 0.41 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.37 3gkf h ARG 281 CO 0.07 0.03 -0.39 0.00 -1.07 0.00 0.00 179.97 178.61 3gkf h ALA 282 N 1.37 -0.44 -0.87 0.04 0.00 -0.78 0.33 119.26 118.91 3gkf h ALA 282 Ca 0.19 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.25 3gkf h ALA 282 Cb 0.29 0.77 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 3gkf h ALA 282 CO -0.37 -0.85 0.49 -0.92 0.00 0.00 0.00 179.25 177.60 3gkf h TYR 283 N -0.39 0.88 -0.17 0.00 -0.00 0.10 -0.46 116.97 116.92 3gkf h TYR 283 Ca 0.11 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.87 3gkf h TYR 283 Cb 0.59 -0.26 -0.01 0.00 -0.00 0.00 0.00 36.73 37.04 3gkf h TYR 283 CO -0.52 0.31 0.10 0.93 -0.00 0.00 0.00 178.16 178.99 3gkf h GLU 284 N 0.77 0.23 0.00 1.82 5.08 0.75 0.39 114.58 123.63 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 0.49 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3gkf h GLU 284 CO -0.29 0.20 0.00 1.37 -1.00 0.00 0.00 179.01 179.29 3gkf h LEU 285 N 0.20 0.00 0.52 1.33 -0.00 -0.84 0.53 115.31 117.05 3gkf h LEU 285 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.92 3gkf h LEU 285 Cb 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.67 3gkf h LEU 285 CO -0.01 0.00 -0.48 0.22 -0.00 0.00 0.00 178.44 178.17 3gkf h TYR 286 N 0.00 -1.32 -0.83 0.17 3.20 0.14 0.19 116.97 118.52 3gkf h TYR 286 Ca 0.00 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.89 3gkf h TYR 286 Cb 0.32 0.51 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 3gkf h TYR 286 CO 0.00 -0.65 0.55 -0.07 -1.64 0.00 0.00 178.16 176.35 3gkf h LEU 287 N -0.99 0.95 -0.64 2.82 3.38 -0.45 -2.41 115.31 117.97 3gkf h LEU 287 Ca -0.07 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 57.99 3gkf h LEU 287 Cb 0.85 -0.24 -0.12 0.00 0.09 0.00 0.00 40.66 41.24 3gkf h LEU 287 CO -0.03 0.69 -0.34 -1.28 0.09 0.00 0.00 178.44 177.56 3gkf h SER 288 N 1.12 -1.20 1.13 -0.43 0.87 0.23 -2.85 113.55 112.43 3gkf h SER 288 Ca 0.30 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 3gkf h SER 288 Cb -0.13 0.60 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 3gkf h SER 288 CO -0.07 -0.30 0.00 -0.33 -0.53 0.00 0.00 176.83 175.60 3gkf h GLU 289 N -0.14 0.00 0.00 2.24 4.39 -0.10 -3.50 114.58 117.46 3gkf h GLU 289 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3gkf h GLU 289 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3gkf h GLU 289 CO -0.72 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 178.76