#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgr s VAL 11 N 0.00 1.84 0.21 5.09 -7.23 -1.26 -5.10 120.40 113.95 3hgr s VAL 11 Ca 0.00 -1.19 -0.32 0.00 -1.81 0.00 0.00 61.98 58.67 3hgr s VAL 11 Cb 0.00 -1.57 -0.14 0.00 0.56 0.00 0.00 36.38 35.23 3hgr s VAL 11 CO 0.00 0.34 1.29 0.47 -0.31 0.00 0.00 175.10 176.89 3hgr n ASP 12 N 2.02 2.11 -4.71 4.85 8.00 -1.26 -4.91 116.55 122.65 3hgr n ASP 12 Ca -0.17 1.14 -0.35 0.00 0.71 0.00 0.00 54.79 56.13 3hgr n ASP 12 Cb 0.53 -1.33 0.10 0.00 -0.02 0.00 0.00 41.12 40.39 3hgr n ASP 12 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hgr s LYS 13 N -0.43 2.05 0.10 -1.24 1.02 -1.26 -5.04 119.74 114.95 3hgr s LYS 13 Ca 0.70 1.84 0.05 0.00 0.02 0.00 0.00 55.97 58.59 3hgr s LYS 13 Cb -0.74 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 34.72 3hgr s LYS 13 CO 0.51 -1.92 -0.13 0.96 -0.92 0.00 0.00 175.35 173.85 3hgr s ILE 14 N -1.88 1.17 0.34 2.17 -4.36 -1.26 -5.05 121.20 112.33 3hgr s ILE 14 Ca 0.76 -1.60 0.09 0.00 -0.26 0.00 0.00 60.65 59.64 3hgr s ILE 14 Cb -0.31 -1.38 0.32 0.00 1.25 0.00 0.00 42.46 42.35 3hgr s ILE 14 CO 0.46 -0.41 1.81 -0.65 0.24 0.00 0.00 174.94 176.38 3hgr h PRO 15 N 3.71 0.65 -0.12 0.37 0.11 -1.96 -1.66 132.00 133.09 3hgr h PRO 15 Ca -0.39 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.71 3hgr h PRO 15 Cb 1.19 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hgr h PRO 15 CO 0.49 0.43 0.12 -0.07 -0.21 0.00 0.00 178.00 178.76 3hgr h LEU 16 N 0.67 0.00 -1.77 2.35 3.38 -1.91 -1.24 115.31 116.78 3hgr h LEU 16 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 3hgr h LEU 16 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3hgr h LEU 16 CO -0.31 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.45 3hgr n MET 17 N -4.00 2.17 -2.40 1.13 2.81 -0.63 -0.53 117.12 115.68 3hgr n MET 17 Ca 0.00 -1.75 -0.41 0.00 -1.81 0.00 0.00 57.70 53.73 3hgr n MET 17 Cb 0.23 -1.46 -0.04 0.00 -0.71 0.00 0.00 33.22 31.24 3hgr n MET 17 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 3hgr s SER 18 N -1.60 7.13 0.93 7.83 0.01 -0.47 -4.42 113.70 123.11 3hgr s SER 18 Ca 0.35 2.26 -0.10 0.00 1.31 0.00 0.00 55.95 59.77 3hgr s SER 18 Cb 0.20 -2.61 0.16 0.00 0.21 0.00 0.00 66.02 63.97 3hgr s SER 18 CO 0.30 -0.31 1.14 -2.84 0.41 0.00 0.00 173.24 171.94 3hgr s PRO 19 N -0.69 0.88 -0.17 12.44 0.02 -1.24 -3.63 135.00 142.61 3hgr s PRO 19 Ca 0.50 1.53 -0.13 0.00 0.02 0.00 0.00 61.00 62.92 3hgr s PRO 19 Cb -0.33 -1.71 0.05 0.00 0.02 0.00 0.00 34.50 32.53 3hgr s PRO 19 CO 0.39 -2.72 0.44 0.00 -0.33 0.00 0.00 177.00 174.78 3hgr s LYS 21 N 0.71 4.19 -0.31 0.00 3.01 -1.26 0.10 119.74 126.17 3hgr s LYS 21 Ca -0.04 0.16 -0.00 0.00 -1.01 0.00 0.00 55.97 55.07 3hgr s LYS 21 Cb -0.05 -3.51 0.10 0.00 -1.01 0.00 0.00 37.83 33.36 3hgr s LYS 21 CO -0.05 0.04 0.10 1.41 0.51 0.00 0.00 175.35 177.36 3hgr s MET 22 N 1.07 0.76 7.77 1.68 0.00 0.29 -4.97 119.30 125.90 3hgr s MET 22 Ca 0.18 -1.14 0.00 0.00 0.00 0.00 0.00 55.69 54.73 3hgr s MET 22 Cb -0.14 -2.06 0.00 0.00 0.00 0.00 0.00 34.83 32.63 3hgr s MET 22 CO 0.07 -0.99 0.00 0.41 0.00 0.00 0.00 175.02 174.51 3hgr n GLY 23 N 4.79 3.27 0.11 2.11 0.00 -1.26 -0.86 105.19 113.35 3hgr n GLY 23 Ca -0.01 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 45.99 3hgr n GLY 23 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3hgr n LYS 24 N 13.76 1.16 -4.26 1.61 2.85 -1.26 -4.87 118.16 127.15 3hgr n LYS 24 Ca 0.00 -0.23 -0.34 0.00 -1.05 0.00 0.00 58.31 56.70 3hgr n LYS 24 Cb 0.00 -1.46 -0.09 0.00 -0.65 0.00 0.00 35.03 32.83 3hgr n LYS 24 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3hgr s PHE 25 N -1.99 3.18 -0.56 5.58 0.40 -0.04 -5.07 117.98 119.48 3hgr s PHE 25 Ca 0.42 0.17 -0.11 0.00 -0.60 0.00 0.00 56.93 56.82 3hgr s PHE 25 Cb 0.20 -1.74 0.14 0.00 0.51 0.00 0.00 43.02 42.14 3hgr s PHE 25 CO 0.34 0.50 0.46 -1.21 0.70 0.00 0.00 175.22 176.00 3hgr s GLU 26 N -1.34 2.78 0.22 0.44 0.41 -1.26 -0.55 118.70 119.40 3hgr s GLU 26 Ca 0.18 -1.96 -0.23 0.00 -0.41 0.00 0.00 54.97 52.55 3hgr s GLU 26 Cb -0.12 -4.07 -0.08 0.00 -1.78 0.00 0.00 34.13 28.09 3hgr s GLU 26 CO 0.08 -1.24 0.78 -0.51 -0.49 0.00 0.00 175.26 173.88 3hgr s LEU 27 N 1.05 4.43 0.00 1.80 1.43 0.11 -4.77 118.68 122.74 3hgr s LEU 27 Ca 0.08 1.57 0.26 0.00 -1.03 0.00 0.00 54.13 55.01 3hgr s LEU 27 Cb -0.24 -3.56 0.61 0.00 0.03 0.00 0.00 46.19 43.03 3hgr s LEU 27 CO -0.02 0.08 1.48 0.00 0.23 0.00 0.00 176.35 178.12 3hgr s HIS 29 N -2.79 -0.02 -0.99 0.00 0.00 -1.24 -3.60 115.29 106.64 3hgr s HIS 29 Ca 0.16 -0.44 0.11 0.00 -3.00 0.00 0.00 55.06 51.89 3hgr s HIS 29 Cb 0.18 0.73 0.30 0.00 -4.00 0.00 0.00 32.58 29.79 3hgr s HIS 29 CO 0.63 -1.14 1.23 0.54 -1.00 0.00 0.00 174.74 175.00 3hgr n ARG 30 N -0.54 2.70 -2.73 -0.38 1.74 0.31 -4.68 116.66 113.07 3hgr n ARG 30 Ca -0.06 -2.00 -0.43 0.00 -0.77 0.00 0.00 57.85 54.59 3hgr n ARG 30 Cb 0.60 -1.27 -0.03 0.00 -1.02 0.00 0.00 32.46 30.73 3hgr n ARG 30 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hgr s VAL 31 N -1.00 4.45 -0.08 1.55 1.01 -1.24 -1.61 120.40 123.49 3hgr s VAL 31 Ca 0.23 1.20 -0.03 0.00 0.00 0.00 0.00 61.98 63.38 3hgr s VAL 31 Cb 0.12 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3hgr s VAL 31 CO 0.16 -0.70 0.06 -0.69 0.00 0.00 0.00 175.10 173.93 3hgr s VAL 32 N 3.81 4.76 -0.38 2.92 1.01 0.91 -4.38 120.40 129.05 3hgr s VAL 32 Ca 0.42 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.99 3hgr s VAL 32 Cb -0.10 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.23 3hgr s VAL 32 CO 0.23 0.56 0.95 -0.22 0.00 0.00 0.00 175.10 176.62 3hgr s LEU 33 N -1.10 3.97 0.72 3.92 2.96 -0.82 -0.09 118.68 128.24 3hgr s LEU 33 Ca 0.16 0.57 -0.13 0.00 -0.22 0.00 0.00 54.13 54.50 3hgr s LEU 33 Cb -0.12 -3.30 0.03 0.00 0.50 0.00 0.00 46.19 43.31 3hgr s LEU 33 CO 0.05 -0.90 1.12 0.00 -1.32 0.00 0.00 176.35 175.30 3hgr s ALA 34 N 3.58 2.30 0.25 5.97 0.00 -0.56 -2.03 121.76 131.26 3hgr s ALA 34 Ca 0.39 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 3hgr s ALA 34 Cb -0.11 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 3hgr s ALA 34 CO 0.20 -1.59 1.50 -2.14 0.00 0.00 0.00 175.76 173.72 3hgr s PRO 35 N -4.35 4.22 -0.21 0.00 0.02 -1.25 -4.73 135.00 128.71 3hgr s PRO 35 Ca 0.66 2.38 -0.05 0.00 0.02 0.00 0.00 61.00 64.01 3hgr s PRO 35 Cb -0.21 -3.09 0.07 0.00 0.02 0.00 0.00 34.50 31.29 3hgr s PRO 35 CO 0.47 -0.50 0.10 -0.51 -0.33 0.00 0.00 177.00 176.23 3hgr s LEU 36 N -0.21 0.48 -0.17 -5.54 1.43 -1.26 -4.88 118.68 108.53 3hgr s LEU 36 Ca 0.62 -0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 3hgr s LEU 36 Cb -0.44 -0.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 3hgr s LEU 36 CO 0.43 -0.38 1.50 -0.89 0.23 0.00 0.00 176.35 177.24 3hgr s THR 37 N 2.10 3.87 -0.62 5.49 2.01 -1.26 -4.40 115.64 122.83 3hgr s THR 37 Ca 0.04 1.02 0.08 0.00 0.31 0.00 0.00 61.69 63.13 3hgr s THR 37 Cb -0.16 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 3hgr s THR 37 CO -0.17 -0.21 0.49 0.54 -0.69 0.00 0.00 174.62 174.57 3hgr n ARG 38 N 7.21 2.79 -4.03 4.92 5.12 -1.26 -4.79 116.66 126.62 3hgr n ARG 38 Ca 0.17 -0.40 -0.31 0.00 -1.93 0.00 0.00 57.85 55.37 3hgr n ARG 38 Cb 0.45 -0.97 -0.00 0.00 -1.16 0.00 0.00 32.46 30.77 3hgr n ARG 38 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3hgr n GLN 39 N -0.50 -4.12 -0.33 5.56 6.02 -1.26 -4.48 117.38 118.27 3hgr n GLN 39 Ca 0.03 0.47 0.08 0.00 -0.01 0.00 0.00 57.00 57.57 3hgr n GLN 39 Cb 0.15 -5.12 0.18 0.00 1.02 0.00 0.00 30.24 26.47 3hgr n GLN 39 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hgr n ARG 40 N -4.48 1.54 -3.23 -1.09 1.74 -1.08 -4.59 116.66 105.47 3hgr n ARG 40 Ca -0.05 -2.90 -0.38 0.00 -0.77 0.00 0.00 57.85 53.75 3hgr n ARG 40 Cb 0.56 -1.59 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 3hgr n ARG 40 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3hgr n SER 41 N -1.24 5.39 -4.55 0.55 7.64 0.13 -4.64 113.62 116.90 3hgr n SER 41 Ca 0.19 -3.35 -0.59 0.00 1.01 0.00 0.00 58.87 56.13 3hgr n SER 41 Cb 0.70 -1.11 -0.08 0.00 -1.01 0.00 0.00 64.21 62.72 3hgr n SER 41 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3hgr n TYR 42 N 1.48 0.94 -1.87 1.43 0.53 -1.25 -0.27 117.16 118.15 3hgr n TYR 42 Ca 0.26 0.98 -0.16 0.00 -1.02 0.00 0.00 57.90 57.96 3hgr n TYR 42 Cb 0.36 -2.16 -0.04 0.00 -1.03 0.00 0.00 39.34 36.47 3hgr n TYR 42 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hgr n GLY 43 N 2.00 0.73 2.38 2.72 0.00 -1.26 -2.12 105.19 109.64 3hgr n GLY 43 Ca 0.21 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 3hgr n GLY 43 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hgr n TYR 44 N -3.22 -0.90 -5.01 1.61 4.01 0.63 -4.98 117.16 109.30 3hgr n TYR 44 Ca -0.18 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.26 3hgr n TYR 44 Cb 0.59 -3.76 -0.17 0.00 -0.31 0.00 0.00 39.34 35.69 3hgr n TYR 44 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3hgr s ILE 45 N -2.97 1.80 0.30 -0.72 1.01 -0.90 -2.59 121.20 117.14 3hgr s ILE 45 Ca 0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.49 3hgr s ILE 45 Cb 0.00 -1.58 -0.13 0.00 0.01 0.00 0.00 42.46 40.77 3hgr s ILE 45 CO 0.00 0.50 1.33 -2.65 0.00 0.00 0.00 174.94 174.13 3hgr n PRO 46 N 3.64 2.08 -4.23 2.79 -0.02 -1.26 -3.82 135.00 134.18 3hgr n PRO 46 Ca -0.20 0.73 -0.23 0.00 -2.02 0.00 0.00 63.50 61.78 3hgr n PRO 46 Cb 0.53 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 3hgr n PRO 46 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3hgr s GLN 47 N -1.26 2.51 0.24 -0.52 -1.52 -1.26 -4.84 119.66 113.01 3hgr s GLN 47 Ca 0.61 -1.26 -0.08 0.00 -1.95 0.00 0.00 55.36 52.67 3hgr s GLN 47 Cb -0.60 -2.31 0.40 0.00 -0.22 0.00 0.00 33.01 30.28 3hgr s GLN 47 CO 0.57 0.39 1.64 -1.35 -0.25 0.00 0.00 175.29 176.29 3hgr h PRO 48 N 1.86 0.10 0.00 2.91 0.11 -1.93 -0.16 132.00 134.88 3hgr h PRO 48 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hgr h PRO 48 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hgr h PRO 48 CO 0.60 0.06 0.08 1.12 -0.21 0.00 0.00 178.00 179.66 3hgr h HIS 49 N 0.10 0.00 0.00 0.65 2.07 -1.96 0.37 115.15 116.38 3hgr h HIS 49 Ca 0.39 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.85 3hgr h HIS 49 Cb 0.68 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.65 3hgr h HIS 49 CO -0.42 0.00 -0.30 0.00 -3.07 0.00 0.00 177.93 174.14 3hgr h ALA 50 N 1.83 1.02 -0.19 6.11 0.00 -1.38 -1.29 119.26 125.36 3hgr h ALA 50 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3hgr h ALA 50 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hgr h ALA 50 CO 0.00 0.37 0.09 0.82 0.00 0.00 0.00 179.25 180.53 3hgr h ILE 51 N 0.00 1.14 -0.36 0.00 2.04 -0.35 -1.52 117.51 118.46 3hgr h ILE 51 Ca -0.00 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 3hgr h ILE 51 Cb 0.81 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3hgr h ILE 51 CO 0.04 0.13 -0.08 0.25 0.00 0.00 0.00 178.15 178.49 3hgr h LEU 52 N 0.17 0.69 0.45 1.44 5.85 -1.56 -2.22 115.31 120.14 3hgr h LEU 52 Ca 0.06 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3hgr h LEU 52 Cb 0.13 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3hgr h LEU 52 CO -0.01 0.89 -0.47 -0.74 -0.34 0.00 0.00 178.44 177.77 3hgr h HIS 53 N 0.48 -1.31 -0.09 1.25 2.76 -1.01 0.10 115.15 117.33 3hgr h HIS 53 Ca 0.09 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.22 3hgr h HIS 53 Cb 0.59 0.51 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 3hgr h HIS 53 CO 0.05 -0.62 -0.17 1.88 -1.30 0.00 0.00 177.93 177.77 3hgr h TYR 54 N -0.92 0.16 -0.54 5.26 0.05 -1.39 -2.53 116.97 117.06 3hgr h TYR 54 Ca -0.06 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.66 3hgr h TYR 54 Cb 0.80 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 3hgr h TYR 54 CO -0.25 0.32 0.18 1.03 -1.05 0.00 0.00 178.16 178.39 3hgr h SER 55 N 0.14 0.78 0.07 3.88 0.87 -1.04 -2.59 113.55 115.66 3hgr h SER 55 Ca 0.03 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 3hgr h SER 55 Cb 0.40 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3hgr h SER 55 CO 0.03 0.77 -0.07 1.56 -0.53 0.00 0.00 176.83 178.59 3hgr h GLN 56 N 0.75 0.01 -0.61 2.24 4.20 -0.35 -2.49 115.11 118.86 3hgr h GLN 56 Ca 0.18 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3hgr h GLN 56 Cb 0.27 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3hgr h GLN 56 CO -0.01 0.08 0.00 0.54 -0.67 0.00 0.00 178.83 178.77 3hgr n ARG 57 N -4.45 3.83 -3.63 1.46 1.74 -1.09 -4.44 116.66 110.08 3hgr n ARG 57 Ca -0.03 -2.90 -0.37 0.00 -0.77 0.00 0.00 57.85 53.78 3hgr n ARG 57 Cb 0.15 -1.92 -0.06 0.00 -1.02 0.00 0.00 32.46 29.61 3hgr n ARG 57 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3hgr s SER 58 N -0.96 6.67 0.09 0.55 0.15 -0.94 -5.00 113.70 114.25 3hgr s SER 58 Ca 0.50 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.95 3hgr s SER 58 Cb 0.34 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 3hgr s SER 58 CO 0.22 0.34 -0.03 0.42 1.20 0.00 0.00 173.24 175.40 3hgr s THR 59 N -1.08 0.38 -0.28 6.45 -4.23 -1.26 -4.99 115.64 110.63 3hgr s THR 59 Ca 0.21 -1.88 -0.29 0.00 -1.18 0.00 0.00 61.69 58.56 3hgr s THR 59 Cb -0.15 -1.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 3hgr s THR 59 CO 0.11 -0.84 1.62 0.21 -0.54 0.00 0.00 174.62 175.18 3hgr s ASN 60 N -3.00 6.26 0.00 3.99 2.47 -0.81 -2.16 114.94 121.70 3hgr s ASN 60 Ca 0.12 1.42 0.00 0.00 0.42 0.00 0.00 52.86 54.82 3hgr s ASN 60 Cb 0.07 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 3hgr s ASN 60 CO -0.06 -1.39 0.00 0.61 -3.72 0.00 0.00 177.10 172.54 3hgr n GLY 61 N 4.90 0.53 3.80 1.21 0.00 0.16 -4.40 105.19 111.39 3hgr n GLY 61 Ca 0.19 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 3hgr n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hgr s GLY 62 N -2.23 2.44 -0.09 -0.02 0.00 -0.92 -0.55 107.32 105.95 3hgr s GLY 62 Ca 0.00 -0.24 -0.26 0.00 0.00 0.00 0.00 44.72 44.23 3hgr s GLY 62 CO 0.00 0.30 0.81 -2.27 0.00 0.00 0.00 173.10 171.94 3hgr s LEU 63 N -0.59 4.28 -0.08 0.66 2.96 -1.26 -1.81 118.68 122.84 3hgr s LEU 63 Ca 0.23 1.29 0.04 0.00 -0.22 0.00 0.00 54.13 55.47 3hgr s LEU 63 Cb -0.16 -3.24 0.00 0.00 0.50 0.00 0.00 46.19 43.29 3hgr s LEU 63 CO 0.12 -0.25 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.94 3hgr s LEU 64 N 1.31 1.97 -0.21 -0.68 1.02 -0.08 -1.95 118.68 120.06 3hgr s LEU 64 Ca 0.41 -0.48 -0.02 0.00 0.02 0.00 0.00 54.13 54.07 3hgr s LEU 64 Cb -0.18 -1.23 0.01 0.00 0.02 0.00 0.00 46.19 44.81 3hgr s LEU 64 CO 0.18 0.14 -0.10 -0.63 0.02 0.00 0.00 176.35 175.96 3hgr s ILE 65 N 0.35 2.86 1.05 -0.59 1.01 -0.86 -1.53 121.20 123.48 3hgr s ILE 65 Ca -0.15 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.65 3hgr s ILE 65 Cb -0.17 -2.30 0.22 0.00 0.01 0.00 0.00 42.46 40.22 3hgr s ILE 65 CO 0.07 0.42 1.07 -0.83 0.00 0.00 0.00 174.94 175.67 3hgr s GLY 66 N 1.39 1.57 0.60 6.18 0.00 -0.63 -3.79 107.32 112.65 3hgr s GLY 66 Ca 0.05 -0.15 -0.18 0.00 0.00 0.00 0.00 44.72 44.43 3hgr s GLY 66 CO -0.07 0.47 1.18 -1.83 0.00 0.00 0.00 173.10 172.85 3hgr s GLU 67 N -4.73 2.99 -0.25 2.90 -1.05 -1.26 -4.14 118.70 113.15 3hgr s GLU 67 Ca 0.66 1.73 -0.40 0.00 -0.15 0.00 0.00 54.97 56.81 3hgr s GLU 67 Cb -0.21 -1.94 -0.16 0.00 -0.44 0.00 0.00 34.13 31.37 3hgr s GLU 67 CO 0.60 -1.17 1.67 0.00 0.95 0.00 0.00 175.26 177.32 3hgr n ALA 68 N -1.68 -0.44 -3.32 -0.84 0.00 -1.26 -4.40 120.51 108.56 3hgr n ALA 68 Ca 0.13 0.42 -0.34 0.00 0.00 0.00 0.00 53.44 53.64 3hgr n ALA 68 Cb 0.50 -2.17 -0.14 0.00 0.00 0.00 0.00 19.45 17.64 3hgr n ALA 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hgr s THR 69 N 3.06 3.23 0.17 0.00 2.01 0.95 -4.52 115.64 120.55 3hgr s THR 69 Ca 0.97 -0.57 -0.31 0.00 0.31 0.00 0.00 61.69 62.10 3hgr s THR 69 Cb -1.10 -2.42 -0.09 0.00 0.01 0.00 0.00 72.50 68.90 3hgr s THR 69 CO 0.65 0.48 1.43 -0.69 -0.69 0.00 0.00 174.62 175.79 3hgr s VAL 70 N 0.92 2.97 -0.62 3.82 1.01 -0.28 0.29 120.40 128.50 3hgr s VAL 70 Ca -0.02 0.74 0.24 0.00 0.00 0.00 0.00 61.98 62.95 3hgr s VAL 70 Cb -0.15 -3.47 0.10 0.00 0.00 0.00 0.00 36.38 32.86 3hgr s VAL 70 CO 0.00 0.08 1.39 0.16 0.00 0.00 0.00 175.10 176.73 3hgr h ILE 71 N 3.94 0.00 -2.29 2.22 3.07 -1.53 -1.02 117.51 121.90 3hgr h ILE 71 Ca -0.44 -0.54 0.17 0.00 1.55 0.00 0.00 64.86 65.61 3hgr h ILE 71 Cb 1.21 1.20 -0.09 0.00 -0.27 0.00 0.00 36.82 38.87 3hgr h ILE 71 CO 0.84 0.00 0.50 -0.94 -1.05 0.00 0.00 178.15 177.50 3hgr s SER 72 N -4.42 -0.20 0.36 2.16 1.04 -1.26 -4.55 113.70 106.82 3hgr s SER 72 Ca 0.07 -0.33 0.10 0.00 0.48 0.00 0.00 55.95 56.27 3hgr s SER 72 Cb 0.13 0.46 0.86 0.00 0.10 0.00 0.00 66.02 67.56 3hgr s SER 72 CO 0.70 -0.83 1.85 -0.33 0.98 0.00 0.00 173.24 175.61 3hgr h GLU 73 N 2.00 0.63 0.00 4.02 5.08 -1.99 0.15 114.58 124.47 3hgr h GLU 73 Ca -0.24 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3hgr h GLU 73 Cb 1.23 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3hgr h GLU 73 CO 0.26 0.42 0.00 0.25 -1.00 0.00 0.00 179.01 178.94 3hgr n THR 74 N -4.58 0.46 1.51 1.13 -2.24 -1.26 -3.36 114.28 105.94 3hgr n THR 74 Ca 0.19 0.07 0.05 0.00 -2.27 0.00 0.00 64.05 62.09 3hgr n THR 74 Cb 0.53 -0.72 0.21 0.00 -2.10 0.00 0.00 70.33 68.25 3hgr n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hgr n GLY 75 N 0.87 -0.26 3.74 3.38 0.00 0.53 -4.64 105.19 108.81 3hgr n GLY 75 Ca 0.05 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 3hgr n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hgr s ILE 76 N -1.81 5.03 0.00 -0.61 1.01 -1.21 -2.96 121.20 120.64 3hgr s ILE 76 Ca 0.18 1.18 0.00 0.00 0.00 0.00 0.00 60.65 62.01 3hgr s ILE 76 Cb 0.09 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.65 3hgr s ILE 76 CO 0.13 0.36 0.38 0.61 0.00 0.00 0.00 174.94 176.42 3hgr n GLY 77 N 2.81 -1.74 3.27 6.18 0.00 -1.26 -4.63 105.19 109.82 3hgr n GLY 77 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 3hgr n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hgr s TYR 78 N 0.00 -0.20 0.35 1.61 2.02 -1.26 -4.73 117.35 115.14 3hgr s TYR 78 Ca 0.00 0.26 -0.25 0.00 -0.37 0.00 0.00 57.07 56.71 3hgr s TYR 78 Cb 0.00 0.12 -0.09 0.00 -0.40 0.00 0.00 41.96 41.59 3hgr s TYR 78 CO 0.00 -0.44 1.00 0.15 -1.57 0.00 0.00 175.55 174.69 3hgr s LYS 79 N -1.63 4.41 -1.55 -0.62 1.02 -1.26 -4.17 119.74 115.93 3hgr s LYS 79 Ca -0.11 1.44 -0.15 0.00 0.02 0.00 0.00 55.97 57.17 3hgr s LYS 79 Cb -0.04 -2.71 0.10 0.00 -0.52 0.00 0.00 37.83 34.67 3hgr s LYS 79 CO 0.03 0.09 0.86 -0.25 -0.92 0.00 0.00 175.35 175.16 3hgr n ASP 80 N 0.32 -4.33 -4.88 2.83 8.00 -1.26 -4.67 116.55 112.56 3hgr n ASP 80 Ca 0.03 -0.78 -0.35 0.00 0.71 0.00 0.00 54.79 54.40 3hgr n ASP 80 Cb 0.49 -3.49 -0.05 0.00 -0.02 0.00 0.00 41.12 38.06 3hgr n ASP 80 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3hgr s VAL 81 N -3.24 5.34 0.39 2.53 -7.23 -1.26 0.21 120.40 117.14 3hgr s VAL 81 Ca 0.65 0.20 -0.25 0.00 -1.81 0.00 0.00 61.98 60.77 3hgr s VAL 81 Cb -0.34 -3.54 -0.09 0.00 0.56 0.00 0.00 36.38 32.98 3hgr s VAL 81 CO 0.80 0.43 1.09 -2.16 -0.31 0.00 0.00 175.10 174.95 3hgr s PRO 82 N -1.57 4.15 0.46 4.82 0.04 -1.26 -4.09 135.00 137.55 3hgr s PRO 82 Ca 0.25 1.63 0.05 0.00 0.04 0.00 0.00 61.00 62.96 3hgr s PRO 82 Cb -0.13 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 3hgr s PRO 82 CO 0.14 -0.18 0.08 0.20 0.04 0.00 0.00 177.00 177.27 3hgr s GLY 83 N -1.40 2.65 -0.28 0.56 0.00 -1.07 -1.13 107.32 106.66 3hgr s GLY 83 Ca 0.57 -1.48 0.19 0.00 0.00 0.00 0.00 44.72 44.01 3hgr s GLY 83 CO 0.32 -2.09 1.27 4.51 0.00 0.00 0.00 173.10 177.11 3hgr n ILE 84 N -1.20 0.77 0.52 0.90 3.06 -0.39 -4.78 119.36 118.24 3hgr n ILE 84 Ca -0.09 -2.14 0.08 0.00 -2.50 0.00 0.00 62.75 58.09 3hgr n ILE 84 Cb 0.66 1.18 0.09 0.00 0.54 0.00 0.00 39.64 42.11 3hgr n ILE 84 CO 0.00 0.00 0.00 -2.67 -2.50 0.00 0.00 176.55 171.38 3hgr n TRP 85 N -0.90 0.09 -4.32 9.51 2.14 -1.26 -4.80 117.44 117.90 3hgr n TRP 85 Ca -0.02 -0.07 -0.20 0.00 2.07 0.00 0.00 57.50 59.28 3hgr n TRP 85 Cb 0.84 -0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 31.23 3hgr n TRP 85 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 3hgr s THR 86 N -1.25 1.69 0.46 -1.67 -4.23 -1.26 -5.02 115.64 104.36 3hgr s THR 86 Ca 0.20 -1.95 0.18 0.00 -1.18 0.00 0.00 61.69 58.93 3hgr s THR 86 Cb 0.13 -1.83 0.22 0.00 1.34 0.00 0.00 72.50 72.37 3hgr s THR 86 CO 0.20 -0.41 2.04 0.11 -0.54 0.00 0.00 174.62 176.02 3hgr h LYS 87 N 3.12 0.00 -0.45 3.99 1.57 -1.98 0.05 116.57 122.88 3hgr h LYS 87 Ca -0.41 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.32 3hgr h LYS 87 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 3hgr h LYS 87 CO 0.54 0.14 0.08 1.49 -0.57 0.00 0.00 179.45 181.13 3hgr h GLU 88 N 0.00 0.74 -0.32 3.15 4.81 -1.98 0.18 114.58 121.15 3hgr h GLU 88 Ca -0.00 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 58.92 3hgr h GLU 88 Cb 0.26 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3hgr h GLU 88 CO 0.02 0.76 -0.24 1.96 -0.73 0.00 0.00 179.01 180.78 3hgr h GLN 89 N 0.60 0.73 -0.95 1.92 4.20 -1.67 -1.41 115.11 118.53 3hgr h GLN 89 Ca 0.14 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.50 3hgr h GLN 89 Cb 0.37 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 3hgr h GLN 89 CO 0.01 0.97 0.63 0.28 -0.67 0.00 0.00 178.83 180.05 3hgr h VAL 90 N 0.50 1.25 -0.01 -0.54 2.07 -0.76 -1.71 116.25 117.03 3hgr h VAL 90 Ca 0.06 -0.44 -0.15 0.00 0.82 0.00 0.00 66.70 66.98 3hgr h VAL 90 Cb 0.79 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3hgr h VAL 90 CO 0.06 0.24 -0.71 -0.33 0.02 0.00 0.00 177.57 176.85 3hgr h GLU 91 N 1.29 0.08 0.00 1.57 4.39 -0.51 -3.09 114.58 118.31 3hgr h GLU 91 Ca 0.35 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.91 3hgr h GLU 91 Cb -0.15 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3hgr h GLU 91 CO -0.08 0.75 -0.33 0.00 -1.16 0.00 0.00 179.01 178.20 3hgr h ALA 92 N 1.23 1.00 -0.02 3.43 0.00 -0.66 -3.24 119.26 121.00 3hgr h ALA 92 Ca -0.01 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 3hgr h ALA 92 Cb 1.25 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.00 3hgr h ALA 92 CO 0.10 0.41 -0.47 -1.49 0.00 0.00 0.00 179.25 177.79 3hgr h TRP 93 N 0.00 0.52 -0.86 0.00 4.06 -1.26 -3.37 115.95 115.03 3hgr h TRP 93 Ca -0.00 -0.27 0.17 0.00 2.06 0.00 0.00 58.89 60.85 3hgr h TRP 93 Cb 0.85 -0.06 -0.16 0.00 -1.00 0.00 0.00 29.16 28.79 3hgr h TRP 93 CO 0.00 1.06 -0.23 1.63 -3.56 0.00 0.00 178.44 177.34 3hgr n LYS 94 N -4.31 -0.09 0.06 0.49 5.02 -1.18 0.27 118.16 118.41 3hgr n LYS 94 Ca -0.10 1.34 0.02 0.00 -2.02 0.00 0.00 58.31 57.56 3hgr n LYS 94 Cb 0.60 -2.00 0.38 0.00 -0.02 0.00 0.00 35.03 34.00 3hgr n LYS 94 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3hgr h PRO 95 N 0.00 0.38 -0.06 1.97 0.11 -1.75 0.68 132.00 133.34 3hgr h PRO 95 Ca 0.40 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.41 3hgr h PRO 95 Cb 0.61 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3hgr h PRO 95 CO -0.88 0.40 -0.10 0.82 -0.21 0.00 0.00 178.00 178.03 3hgr h ILE 96 N 0.37 1.41 -0.97 4.15 2.04 -0.37 -2.18 117.51 121.97 3hgr h ILE 96 Ca 0.09 -1.39 0.05 0.00 1.00 0.00 0.00 64.86 64.61 3hgr h ILE 96 Cb 0.24 2.20 -0.06 0.00 -0.74 0.00 0.00 36.82 38.46 3hgr h ILE 96 CO 0.00 0.38 0.63 0.58 0.00 0.00 0.00 178.15 179.75 3hgr h VAL 97 N -0.32 1.12 -0.23 1.67 2.07 -0.32 -2.32 116.25 117.93 3hgr h VAL 97 Ca 0.00 -0.40 -0.13 0.00 0.82 0.00 0.00 66.70 66.99 3hgr h VAL 97 Cb 0.67 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3hgr h VAL 97 CO 0.02 0.21 -0.40 0.44 0.02 0.00 0.00 177.57 177.87 3hgr h ASP 98 N 1.17 0.56 -0.48 0.57 3.32 0.43 -1.88 116.42 120.11 3hgr h ASP 98 Ca 0.40 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3hgr h ASP 98 Cb 0.09 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3hgr h ASP 98 CO -0.14 0.90 0.08 0.00 -1.72 0.00 0.00 179.24 178.36 3hgr h ALA 99 N 1.13 0.63 0.10 3.45 0.00 -0.87 0.98 119.26 124.68 3hgr h ALA 99 Ca 0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3hgr h ALA 99 Cb 0.89 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hgr h ALA 99 CO 0.08 0.35 -0.05 0.28 0.00 0.00 0.00 179.25 179.91 3hgr h VAL 100 N 0.66 0.94 0.00 0.00 2.07 -1.34 -1.93 116.25 116.65 3hgr h VAL 100 Ca 0.15 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3hgr h VAL 100 Cb 0.38 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3hgr h VAL 100 CO 0.01 0.04 -0.02 0.45 0.02 0.00 0.00 177.57 178.06 3hgr h HIS 101 N -0.20 0.00 0.00 1.57 -0.00 -1.18 -1.49 115.15 113.84 3hgr h HIS 101 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 3hgr h HIS 101 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 3hgr h HIS 101 CO -0.05 0.02 -0.24 0.00 -0.00 0.00 0.00 177.93 177.66 3hgr h ALA 102 N 1.98 1.24 -0.53 2.45 0.00 0.02 -2.61 119.26 121.80 3hgr h ALA 102 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hgr h ALA 102 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hgr h ALA 102 CO 0.00 0.30 0.00 1.63 0.00 0.00 0.00 179.25 181.18 3hgr n LYS 103 N -3.73 2.87 -0.76 0.00 5.02 -0.61 -4.96 118.16 116.00 3hgr n LYS 103 Ca -0.01 -2.40 0.00 0.00 -2.02 0.00 0.00 58.31 53.88 3hgr n LYS 103 Cb 0.35 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3hgr n LYS 103 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hgr n GLY 104 N 1.02 0.55 3.89 0.72 0.00 -0.99 -1.92 105.19 108.46 3hgr n GLY 104 Ca 0.18 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 3hgr n GLY 104 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hgr s GLY 105 N -2.63 1.65 -0.14 -0.02 0.00 -0.94 0.38 107.32 105.62 3hgr s GLY 105 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 44.72 44.35 3hgr s GLY 105 CO 0.00 -0.11 0.06 -0.42 0.00 0.00 0.00 173.10 172.63 3hgr s ILE 106 N -2.77 4.80 -0.13 0.90 -1.09 -0.75 -4.37 121.20 117.80 3hgr s ILE 106 Ca 0.50 -0.04 -0.01 0.00 -2.23 0.00 0.00 60.65 58.87 3hgr s ILE 106 Cb -0.10 -3.10 0.03 0.00 -1.58 0.00 0.00 42.46 37.70 3hgr s ILE 106 CO 0.44 0.54 -0.05 0.12 -1.23 0.00 0.00 174.94 174.76 3hgr s PHE 107 N -0.36 1.41 0.03 3.97 5.99 -1.26 -0.90 117.98 126.86 3hgr s PHE 107 Ca 0.09 -0.77 0.03 0.00 0.00 0.00 0.00 56.93 56.28 3hgr s PHE 107 Cb -0.12 -1.19 -0.04 0.00 0.00 0.00 0.00 43.02 41.68 3hgr s PHE 107 CO 0.02 -0.52 -0.03 -0.06 -0.00 0.00 0.00 175.22 174.63 3hgr s PHE 108 N 1.73 2.98 -0.23 10.12 2.99 -0.58 -0.22 117.98 134.76 3hgr s PHE 108 Ca 0.03 0.01 -0.10 0.00 0.00 0.00 0.00 56.93 56.87 3hgr s PHE 108 Cb -0.14 -1.61 -0.05 0.00 0.00 0.00 0.00 43.02 41.23 3hgr s PHE 108 CO -0.08 0.44 0.14 0.00 -0.00 0.00 0.00 175.22 175.72 3hgr s GLN 110 N 1.01 3.85 -0.12 0.00 0.74 -1.26 0.04 119.66 123.92 3hgr s GLN 110 Ca 0.07 0.51 -0.18 0.00 0.05 0.00 0.00 55.36 55.81 3hgr s GLN 110 Cb -0.13 -3.78 -0.04 0.00 1.10 0.00 0.00 33.01 30.15 3hgr s GLN 110 CO 0.04 -0.84 0.45 0.96 -0.55 0.00 0.00 175.29 175.35 3hgr s ILE 111 N 3.21 5.20 0.07 -2.34 -4.36 -0.46 -0.03 121.20 122.49 3hgr s ILE 111 Ca 0.34 0.90 0.02 0.00 -0.26 0.00 0.00 60.65 61.66 3hgr s ILE 111 Cb -0.13 -3.79 -0.03 0.00 1.25 0.00 0.00 42.46 39.75 3hgr s ILE 111 CO 0.16 0.33 -0.08 0.86 0.24 0.00 0.00 174.94 176.46 3hgr s TRP 112 N 0.60 0.81 -0.14 1.37 -0.00 0.14 -2.16 118.94 119.57 3hgr s TRP 112 Ca 0.25 -0.68 -0.05 0.00 -0.00 0.00 0.00 56.10 55.61 3hgr s TRP 112 Cb -0.15 -0.47 0.06 0.00 -0.00 0.00 0.00 33.47 32.91 3hgr s TRP 112 CO 0.09 -0.10 0.29 -1.58 -0.00 0.00 0.00 176.95 175.66 3hgr s HIS 113 N -2.39 -0.47 0.09 5.86 5.65 -1.26 -1.32 115.29 121.44 3hgr s HIS 113 Ca 0.01 1.04 0.24 0.00 0.25 0.00 0.00 55.06 56.60 3hgr s HIS 113 Cb -0.03 0.05 0.86 0.00 -1.18 0.00 0.00 32.58 32.28 3hgr s HIS 113 CO -0.02 -0.35 1.80 -0.39 -0.65 0.00 0.00 174.74 175.13 3hgr h VAL 114 N 6.14 0.53 0.00 0.89 -1.51 -1.82 -1.09 116.25 119.38 3hgr h VAL 114 Ca -0.21 -1.16 0.00 0.00 -1.23 0.00 0.00 66.70 64.10 3hgr h VAL 114 Cb 1.13 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.09 3hgr h VAL 114 CO 0.19 0.22 0.00 0.61 -1.23 0.00 0.00 177.57 177.36 3hgr n GLY 115 N 0.26 2.50 0.00 5.19 0.00 -1.26 -2.51 105.19 109.37 3hgr n GLY 115 Ca 0.00 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.74 3hgr n GLY 115 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hgr n ARG 116 N 13.40 0.26 -2.01 1.61 1.85 -1.05 -3.98 116.66 126.74 3hgr n ARG 116 Ca 0.00 0.12 -0.41 0.00 -1.00 0.00 0.00 57.85 56.55 3hgr n ARG 116 Cb 0.00 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 29.91 3hgr n ARG 116 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3hgr n VAL 117 N -1.20 4.47 -3.85 8.89 0.31 -1.04 -4.67 118.33 121.22 3hgr n VAL 117 Ca 0.07 -3.93 -0.08 0.00 -0.01 0.00 0.00 64.34 60.40 3hgr n VAL 117 Cb 0.09 -2.35 -0.01 0.00 -0.91 0.00 0.00 33.84 30.66 3hgr n VAL 117 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3hgr s SER 118 N 1.24 -0.14 0.03 4.52 0.15 -1.26 -4.27 113.70 113.97 3hgr s SER 118 Ca 0.49 -0.83 0.05 0.00 0.70 0.00 0.00 55.95 56.37 3hgr s SER 118 Cb 0.14 0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 65.19 3hgr s SER 118 CO -0.05 -1.46 -0.16 0.21 1.20 0.00 0.00 173.24 172.99 3hgr s ASN 119 N -2.98 1.85 0.62 5.45 3.84 -1.26 -2.30 114.94 120.15 3hgr s ASN 119 Ca 0.13 -0.42 0.30 0.00 0.21 0.00 0.00 52.86 53.08 3hgr s ASN 119 Cb -0.05 -0.15 1.63 0.00 -0.55 0.00 0.00 41.25 42.13 3hgr s ASN 119 CO 0.09 0.10 1.99 0.07 -2.79 0.00 0.00 177.10 176.56 3hgr h LYS 120 N 5.12 0.00 0.00 0.43 2.10 -1.90 0.69 116.57 123.01 3hgr h LYS 120 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 3hgr h LYS 120 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3hgr h LYS 120 CO 0.45 0.00 0.00 -0.44 -2.00 0.00 0.00 179.45 177.46 3hgr h ASP 121 N 0.00 0.00 0.61 7.07 5.19 -1.90 -1.41 116.42 125.98 3hgr h ASP 121 Ca 0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3hgr h ASP 121 Cb 0.74 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.25 3hgr h ASP 121 CO -0.00 0.00 -1.38 0.49 -3.12 0.00 0.00 179.24 175.23 3hgr n PHE 122 N -3.06 0.60 -2.17 4.55 3.72 0.24 -4.98 117.46 116.35 3hgr n PHE 122 Ca -0.01 0.17 -0.31 0.00 -0.05 0.00 0.00 57.45 57.25 3hgr n PHE 122 Cb 0.17 -0.78 -0.01 0.00 -0.94 0.00 0.00 39.48 37.92 3hgr n PHE 122 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3hgr s GLN 123 N -3.42 3.71 0.32 -1.08 -1.52 -0.53 -4.85 119.66 112.29 3hgr s GLN 123 Ca -0.03 0.73 -0.29 0.00 -1.95 0.00 0.00 55.36 53.82 3hgr s GLN 123 Cb 0.11 -2.15 -0.10 0.00 -0.22 0.00 0.00 33.01 30.65 3hgr s GLN 123 CO 0.84 -0.41 1.31 -2.14 -0.25 0.00 0.00 175.29 174.64 3hgr s PRO 124 N -4.72 4.35 -0.81 2.91 0.02 -1.26 -2.64 135.00 132.86 3hgr s PRO 124 Ca 0.55 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.78 3hgr s PRO 124 Cb -0.11 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.34 3hgr s PRO 124 CO 0.45 -0.20 0.00 0.09 -0.33 0.00 0.00 177.00 177.01 3hgr n ASN 125 N 0.94 -3.20 -2.43 2.53 3.02 -1.26 -1.07 115.26 113.79 3hgr n ASN 125 Ca 0.01 0.27 -0.20 0.00 -0.03 0.00 0.00 54.58 54.62 3hgr n ASN 125 Cb 0.42 -2.76 -0.01 0.00 -0.61 0.00 0.00 39.78 36.82 3hgr n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hgr n GLY 126 N -0.72 -0.50 3.79 7.41 0.00 -1.08 -4.98 105.19 109.10 3hgr n GLY 126 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 3hgr n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hgr s GLU 127 N -5.07 1.72 0.30 1.61 2.02 -0.23 -4.88 118.70 114.17 3hgr s GLU 127 Ca 0.01 0.56 -0.22 0.00 0.02 0.00 0.00 54.97 55.34 3hgr s GLU 127 Cb -0.00 -1.88 -0.09 0.00 0.10 0.00 0.00 34.13 32.25 3hgr s GLU 127 CO 0.01 -1.85 0.85 -0.51 0.02 0.00 0.00 175.26 173.78 3hgr s ASP 128 N -3.88 7.16 0.80 -0.19 1.01 -1.26 -4.27 116.67 116.03 3hgr s ASP 128 Ca 0.62 1.64 -0.14 0.00 0.71 0.00 0.00 52.55 55.38 3hgr s ASP 128 Cb -0.15 -2.50 0.07 0.00 1.01 0.00 0.00 42.92 41.35 3hgr s ASP 128 CO 0.54 -0.08 1.17 -2.65 0.21 0.00 0.00 175.17 174.37 3hgr n PRO 129 N 0.41 0.25 -4.07 8.23 -0.02 -1.26 -4.57 135.00 133.97 3hgr n PRO 129 Ca 0.01 0.16 -0.28 0.00 -2.02 0.00 0.00 63.50 61.37 3hgr n PRO 129 Cb 0.51 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 3hgr n PRO 129 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3hgr s ILE 130 N -2.06 4.52 0.22 4.25 -4.36 -1.26 0.03 121.20 122.53 3hgr s ILE 130 Ca 0.74 -0.96 -0.15 0.00 -0.26 0.00 0.00 60.65 60.02 3hgr s ILE 130 Cb -0.30 -3.26 0.05 0.00 1.25 0.00 0.00 42.46 40.20 3hgr s ILE 130 CO 0.50 -0.02 0.73 -0.24 0.24 0.00 0.00 174.94 176.15 3hgr n SER 131 N -0.05 -1.56 0.06 4.36 2.88 -0.86 -2.54 113.62 115.91 3hgr n SER 131 Ca -0.08 -1.95 -0.06 0.00 -1.33 0.00 0.00 58.87 55.45 3hgr n SER 131 Cb 0.53 2.56 -0.11 0.00 -0.75 0.00 0.00 64.21 66.45 3hgr n SER 131 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hgr s THR 133 N -2.73 1.61 -0.24 0.00 -1.32 -1.26 -4.58 115.64 107.11 3hgr s THR 133 Ca 0.01 -1.73 0.16 0.00 -1.21 0.00 0.00 61.69 58.91 3hgr s THR 133 Cb 0.10 -2.34 0.42 0.00 -1.51 0.00 0.00 72.50 69.16 3hgr s THR 133 CO 0.81 0.00 1.31 -0.90 -2.21 0.00 0.00 174.62 173.64 3hgr n ASP 134 N -1.46 3.30 -4.73 8.08 5.68 -1.26 -3.69 116.55 122.46 3hgr n ASP 134 Ca -0.08 -2.86 -0.35 0.00 -0.50 0.00 0.00 54.79 50.99 3hgr n ASP 134 Cb 0.65 -0.45 -0.08 0.00 -1.14 0.00 0.00 41.12 40.10 3hgr n ASP 134 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3hgr s ARG 135 N -2.53 3.88 0.56 0.11 0.52 -1.26 -4.33 118.95 115.90 3hgr s ARG 135 Ca 0.35 -0.25 0.02 0.00 -0.52 0.00 0.00 55.73 55.33 3hgr s ARG 135 Cb 0.28 -3.27 0.05 0.00 0.52 0.00 0.00 34.95 32.53 3hgr s ARG 135 CO 0.08 0.43 0.79 0.20 0.02 0.00 0.00 175.30 176.81 3hgr s GLY 136 N -0.03 1.83 0.41 -3.53 0.00 -1.26 -4.51 107.32 100.23 3hgr s GLY 136 Ca 0.08 -1.44 -0.09 0.00 0.00 0.00 0.00 44.72 43.27 3hgr s GLY 136 CO 0.00 -1.12 0.76 1.08 0.00 0.00 0.00 173.10 173.82 3hgr s LEU 137 N -4.77 3.80 0.52 0.66 1.43 -1.26 -5.00 118.68 114.05 3hgr s LEU 137 Ca 0.58 1.06 -0.07 0.00 -1.03 0.00 0.00 54.13 54.67 3hgr s LEU 137 Cb -0.09 -3.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 3hgr s LEU 137 CO 0.39 -0.43 0.86 0.42 0.23 0.00 0.00 176.35 177.82 3hgr s THR 138 N -2.44 4.85 0.49 5.49 -4.23 -1.26 -4.52 115.64 114.02 3hgr s THR 138 Ca 0.50 0.41 -0.22 0.00 -1.18 0.00 0.00 61.69 61.19 3hgr s THR 138 Cb -0.10 -3.86 -0.08 0.00 1.34 0.00 0.00 72.50 69.79 3hgr s THR 138 CO 0.34 -0.93 1.10 -2.65 -0.54 0.00 0.00 174.62 171.95 3hgr n PRO 139 N -2.38 1.41 -4.19 3.99 -0.02 -1.26 -4.82 135.00 127.73 3hgr n PRO 139 Ca 0.02 0.51 -0.19 0.00 -2.02 0.00 0.00 63.50 61.83 3hgr n PRO 139 Cb 0.55 -2.23 -0.12 0.00 -0.02 0.00 0.00 33.50 31.68 3hgr n PRO 139 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3hgr s GLN 140 N -2.39 0.85 -0.14 -0.52 -0.21 -0.90 -4.99 119.66 111.36 3hgr s GLN 140 Ca 0.67 -0.97 -0.24 0.00 0.02 0.00 0.00 55.36 54.84 3hgr s GLN 140 Cb -0.48 -0.89 -0.02 0.00 1.00 0.00 0.00 33.01 32.62 3hgr s GLN 140 CO 0.53 0.20 0.76 0.42 -2.12 0.00 0.00 175.29 175.09 3hgr s ILE 141 N -1.25 4.95 0.74 1.08 1.01 -1.26 0.10 121.20 126.56 3hgr s ILE 141 Ca -0.01 1.51 -0.11 0.00 0.00 0.00 0.00 60.65 62.04 3hgr s ILE 141 Cb -0.10 -4.08 0.04 0.00 0.01 0.00 0.00 42.46 38.33 3hgr s ILE 141 CO 0.02 0.11 1.09 -0.04 0.00 0.00 0.00 174.94 176.12 3hgr s MET 142 N 1.71 2.49 0.40 2.79 -1.94 -0.22 -4.86 119.30 119.68 3hgr s MET 142 Ca 0.37 1.14 0.26 0.00 -1.71 0.00 0.00 55.69 55.75 3hgr s MET 142 Cb -0.17 -1.93 1.40 0.00 2.01 0.00 0.00 34.83 36.14 3hgr s MET 142 CO 0.14 -1.46 1.59 0.66 -0.01 0.00 0.00 175.02 175.94 3hgr h SER 143 N -0.87 0.28 0.58 3.03 4.64 -1.96 0.37 113.55 119.62 3hgr h SER 143 Ca -0.44 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3hgr h SER 143 Cb 1.23 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 3hgr h SER 143 CO 0.53 -0.33 0.00 -0.46 -0.87 0.00 0.00 176.83 175.70 3hgr n ASN 144 N -4.99 0.14 0.00 4.97 2.04 -1.26 -4.86 115.26 111.30 3hgr n ASN 144 Ca 0.38 0.53 0.00 0.00 -0.44 0.00 0.00 54.58 55.06 3hgr n ASN 144 Cb 1.39 -0.56 0.00 0.00 -2.53 0.00 0.00 39.78 38.08 3hgr n ASN 144 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3hgr n GLY 145 N 0.10 0.30 0.66 4.83 0.00 0.13 -4.78 105.19 106.42 3hgr n GLY 145 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 3hgr n GLY 145 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hgr n ILE 146 N -2.45 0.30 -2.88 -0.61 5.41 -1.26 -4.99 119.36 112.88 3hgr n ILE 146 Ca 0.00 -0.08 -0.31 0.00 1.00 0.00 0.00 62.75 63.35 3hgr n ILE 146 Cb 0.20 -1.38 -0.04 0.00 -0.71 0.00 0.00 39.64 37.71 3hgr n ILE 146 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3hgr s ASP 147 N -5.27 6.64 -0.22 4.38 1.01 -1.26 -4.97 116.67 116.98 3hgr s ASP 147 Ca -0.07 1.27 -0.02 0.00 0.71 0.00 0.00 52.55 54.44 3hgr s ASP 147 Cb 0.03 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.59 3hgr s ASP 147 CO 0.10 -0.36 -0.09 -0.63 0.21 0.00 0.00 175.17 174.40 3hgr s ILE 148 N -2.27 2.86 -0.40 0.77 1.01 -1.26 -1.05 121.20 120.86 3hgr s ILE 148 Ca 0.54 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 3hgr s ILE 148 Cb -0.10 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 40.07 3hgr s ILE 148 CO 0.26 0.40 1.11 0.00 0.00 0.00 0.00 174.94 176.71 3hgr s ALA 149 N 1.38 3.32 0.22 9.38 0.00 0.11 -4.91 121.76 131.27 3hgr s ALA 149 Ca 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 3hgr s ALA 149 Cb -0.15 -3.79 -0.05 0.00 0.00 0.00 0.00 23.12 19.14 3hgr s ALA 149 CO -0.06 -1.88 0.44 -1.01 0.00 0.00 0.00 175.76 173.24 3hgr s HIS 150 N 4.08 3.48 0.12 0.00 3.76 -1.26 -2.12 115.29 123.34 3hgr s HIS 150 Ca 0.47 0.47 0.08 0.00 -0.15 0.00 0.00 55.06 55.94 3hgr s HIS 150 Cb -0.10 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 3hgr s HIS 150 CO 0.24 0.33 -0.21 -0.06 -0.85 0.00 0.00 174.74 174.19 3hgr s PHE 151 N -1.89 1.84 -0.11 1.40 0.40 -1.26 -4.67 117.98 113.68 3hgr s PHE 151 Ca 0.41 -0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 56.20 3hgr s PHE 151 Cb -0.11 -0.99 -0.05 0.00 0.51 0.00 0.00 43.02 42.39 3hgr s PHE 151 CO 0.28 0.24 0.26 0.99 0.70 0.00 0.00 175.22 177.69 3hgr s THR 152 N -1.34 5.31 0.19 0.64 2.01 -0.97 -4.80 115.64 116.69 3hgr s THR 152 Ca 0.09 0.48 -0.33 0.00 0.31 0.00 0.00 61.69 62.24 3hgr s THR 152 Cb -0.09 -3.56 -0.14 0.00 0.01 0.00 0.00 72.50 68.72 3hgr s THR 152 CO 0.05 0.52 1.53 0.54 -0.69 0.00 0.00 174.62 176.57 3hgr n ARG 153 N 2.56 2.15 -1.94 4.92 1.74 -1.26 -4.65 116.66 120.18 3hgr n ARG 153 Ca -0.16 0.77 -0.30 0.00 -0.77 0.00 0.00 57.85 57.40 3hgr n ARG 153 Cb 0.53 -2.51 0.03 0.00 -1.02 0.00 0.00 32.46 29.49 3hgr n ARG 153 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3hgr s PRO 154 N 0.42 3.14 -0.09 5.56 0.04 -1.26 -4.43 135.00 138.37 3hgr s PRO 154 Ca 0.75 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 62.14 3hgr s PRO 154 Cb -0.66 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.77 3hgr s PRO 154 CO 0.42 -0.83 0.41 0.50 0.04 0.00 0.00 177.00 177.55 3hgr s ARG 155 N -5.25 4.20 -0.07 4.56 3.52 0.10 -4.45 118.95 121.55 3hgr s ARG 155 Ca 0.56 0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 56.22 3hgr s ARG 155 Cb -0.11 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 3hgr s ARG 155 CO 0.52 0.33 1.34 0.50 -0.81 0.00 0.00 175.30 177.18 3hgr s ARG 156 N 0.09 4.27 0.52 5.12 3.52 -1.24 -2.02 118.95 129.21 3hgr s ARG 156 Ca 0.23 1.82 -0.22 0.00 -0.13 0.00 0.00 55.73 57.43 3hgr s ARG 156 Cb -0.15 -3.68 -0.06 0.00 -1.56 0.00 0.00 34.95 29.50 3hgr s ARG 156 CO 0.10 -0.62 1.26 -0.51 -0.81 0.00 0.00 175.30 174.72 3hgr s LEU 157 N 2.91 3.89 0.40 -0.88 1.43 0.24 -4.93 118.68 121.73 3hgr s LEU 157 Ca 0.60 2.53 -0.06 0.00 -1.03 0.00 0.00 54.13 56.18 3hgr s LEU 157 Cb -0.27 -4.31 -0.05 0.00 0.03 0.00 0.00 46.19 41.60 3hgr s LEU 157 CO 0.22 -1.32 0.70 0.42 0.23 0.00 0.00 176.35 176.59 3hgr s THR 158 N -1.44 4.93 0.24 5.49 -4.23 -1.26 -4.93 115.64 114.45 3hgr s THR 158 Ca 0.69 0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 61.32 3hgr s THR 158 Cb -0.34 -3.80 0.25 0.00 1.34 0.00 0.00 72.50 69.94 3hgr s THR 158 CO 0.41 -0.61 1.66 0.74 -0.54 0.00 0.00 174.62 176.28 3hgr h THR 159 N 0.76 0.44 0.00 3.99 2.02 -2.02 0.35 112.91 118.45 3hgr h THR 159 Ca -0.48 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3hgr h THR 159 Cb 1.20 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3hgr h THR 159 CO 0.63 0.03 0.00 -0.90 0.37 0.00 0.00 175.52 175.66 3hgr n ASP 160 N -5.24 0.00 -0.02 4.18 3.85 -1.26 -3.21 116.55 114.85 3hgr n ASP 160 Ca 0.14 0.19 -0.12 0.00 -0.71 0.00 0.00 54.79 54.29 3hgr n ASP 160 Cb 0.47 -0.39 -0.14 0.00 -1.35 0.00 0.00 41.12 39.71 3hgr n ASP 160 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3hgr n GLU 161 N -1.39 0.66 -0.27 0.11 1.02 0.05 -4.30 120.64 116.53 3hgr n GLU 161 Ca 0.10 0.29 0.09 0.00 -0.02 0.00 0.00 57.16 57.61 3hgr n GLU 161 Cb 0.26 -1.77 0.23 0.00 -0.02 0.00 0.00 31.44 30.14 3hgr n GLU 161 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3hgr h ILE 162 N 0.02 0.48 0.00 -3.67 2.04 -1.37 0.30 117.51 115.30 3hgr h ILE 162 Ca -0.32 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 3hgr h ILE 162 Cb 2.02 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3hgr h ILE 162 CO 0.08 0.05 -0.01 -0.65 0.00 0.00 0.00 178.15 177.63 3hgr h PRO 163 N 0.30 0.00 -0.65 2.37 0.11 -1.75 -1.45 132.00 130.92 3hgr h PRO 163 Ca 0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.50 3hgr h PRO 163 Cb 0.85 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.93 3hgr h PRO 163 CO -0.54 0.01 0.09 1.96 -0.21 0.00 0.00 178.00 179.31 3hgr h GLN 164 N 0.00 1.09 -0.53 1.05 4.20 -0.63 -1.12 115.11 119.17 3hgr h GLN 164 Ca -0.00 -0.30 -0.12 0.00 0.06 0.00 0.00 58.65 58.29 3hgr h GLN 164 Cb 0.01 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3hgr h GLN 164 CO 0.00 1.01 -0.14 0.82 -0.67 0.00 0.00 178.83 179.85 3hgr h ILE 165 N 1.01 1.27 -0.57 2.54 1.08 -1.17 -2.39 117.51 119.28 3hgr h ILE 165 Ca 0.20 -1.31 0.04 0.00 -0.39 0.00 0.00 64.86 63.40 3hgr h ILE 165 Cb 0.46 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 35.19 3hgr h ILE 165 CO 0.02 0.46 0.38 0.58 -0.69 0.00 0.00 178.15 178.89 3hgr h VAL 166 N 0.90 1.05 -0.02 1.67 2.07 -0.99 -1.16 116.25 119.76 3hgr h VAL 166 Ca 0.13 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 3hgr h VAL 166 Cb 0.72 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3hgr h VAL 166 CO 0.06 0.11 -0.54 -1.13 0.02 0.00 0.00 177.57 176.09 3hgr h ASN 167 N 0.63 0.07 -0.57 0.57 -0.73 -0.71 -2.50 115.58 112.32 3hgr h ASN 167 Ca 0.23 -0.03 -0.05 0.00 1.87 0.00 0.00 56.30 58.32 3hgr h ASN 167 Cb 0.15 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.70 3hgr h ASN 167 CO -0.06 0.59 0.17 -0.33 -0.37 0.00 0.00 177.43 177.43 3hgr h GLU 168 N 0.05 0.90 -0.64 6.67 5.08 -0.89 0.14 114.58 125.88 3hgr h GLU 168 Ca -0.00 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3hgr h GLU 168 Cb 0.96 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 3hgr h GLU 168 CO 0.07 0.81 0.38 0.74 -1.00 0.00 0.00 179.01 180.02 3hgr h PHE 169 N 0.81 0.85 0.39 4.33 -1.00 -1.35 0.33 116.94 121.29 3hgr h PHE 169 Ca 0.18 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.96 3hgr h PHE 169 Cb 0.29 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 3hgr h PHE 169 CO 0.02 0.58 -0.39 -0.09 -1.61 0.00 0.00 178.31 176.82 3hgr h ARG 170 N 0.87 -0.77 -0.80 1.51 2.43 -0.93 -0.35 114.38 116.34 3hgr h ARG 170 Ca 0.23 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.50 3hgr h ARG 170 Cb -0.02 0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 3hgr h ARG 170 CO -0.04 -0.51 0.50 0.28 -1.51 0.00 0.00 179.97 178.68 3hgr h VAL 171 N -0.80 1.07 -0.83 0.20 2.07 -0.50 -1.93 116.25 115.53 3hgr h VAL 171 Ca -0.03 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.22 3hgr h VAL 171 Cb 0.71 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 3hgr h VAL 171 CO -0.06 0.17 0.51 0.00 0.02 0.00 0.00 177.57 178.21 3hgr h ALA 172 N 1.36 1.13 -0.25 1.67 0.00 0.07 -1.03 119.26 122.21 3hgr h ALA 172 Ca 0.34 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hgr h ALA 172 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hgr h ALA 172 CO -0.15 0.26 0.14 0.00 0.00 0.00 0.00 179.25 179.50 3hgr h ALA 173 N 1.39 0.32 -0.62 0.00 0.00 -0.31 -1.32 119.26 118.71 3hgr h ALA 173 Ca 0.36 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.26 3hgr h ALA 173 Cb 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3hgr h ALA 173 CO -0.16 -0.16 0.34 -0.09 0.00 0.00 0.00 179.25 179.18 3hgr h ARG 174 N 0.29 0.62 -0.10 0.00 9.65 -0.94 -0.63 114.38 123.27 3hgr h ARG 174 Ca 0.09 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 3hgr h ARG 174 Cb 0.06 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 3hgr h ARG 174 CO -0.01 0.41 -0.07 -0.91 2.80 0.00 0.00 179.97 182.18 3hgr h ASN 175 N 0.64 0.13 -0.21 -3.80 2.35 -0.81 0.17 115.58 114.06 3hgr h ASN 175 Ca 0.27 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.94 3hgr h ASN 175 Cb 0.16 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 3hgr h ASN 175 CO -0.17 0.23 -0.12 0.00 -1.65 0.00 0.00 177.43 175.72 3hgr h ALA 176 N 1.79 0.30 -0.78 -0.83 0.00 -0.00 -0.07 119.26 119.67 3hgr h ALA 176 Ca 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3hgr h ALA 176 Cb 0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3hgr h ALA 176 CO 0.01 0.16 0.38 0.82 0.00 0.00 0.00 179.25 180.62 3hgr h ILE 177 N 0.15 1.25 -0.10 0.00 1.08 -0.31 -1.35 117.51 118.22 3hgr h ILE 177 Ca 0.04 -0.68 -0.03 0.00 -0.39 0.00 0.00 64.86 63.80 3hgr h ILE 177 Cb 0.63 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 3hgr h ILE 177 CO 0.04 0.29 -0.08 -0.08 -0.69 0.00 0.00 178.15 177.62 3hgr h GLU 178 N 1.10 0.15 0.00 2.37 4.81 -0.48 0.07 114.58 122.60 3hgr h GLU 178 Ca 0.27 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3hgr h GLU 178 Cb 0.11 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3hgr h GLU 178 CO -0.04 0.25 0.00 0.00 -0.73 0.00 0.00 179.01 178.49 3hgr n ALA 179 N -2.50 2.18 0.00 2.92 0.00 -0.06 -4.90 120.51 118.15 3hgr n ALA 179 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3hgr n ALA 179 Cb 0.21 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3hgr n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hgr n GLY 180 N 0.97 0.35 3.65 0.00 0.00 0.01 -4.00 105.19 106.17 3hgr n GLY 180 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3hgr n GLY 180 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hgr n PHE 181 N -1.64 1.34 0.19 1.61 3.01 -0.74 -4.89 117.46 116.34 3hgr n PHE 181 Ca 0.00 0.47 0.07 0.00 1.01 0.00 0.00 57.45 59.00 3hgr n PHE 181 Cb 0.00 -2.23 0.31 0.00 -0.01 0.00 0.00 39.48 37.55 3hgr n PHE 181 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3hgr h ASP 182 N 1.13 0.00 -1.78 4.37 3.32 -0.93 -3.41 116.42 119.12 3hgr h ASP 182 Ca -0.48 0.00 0.28 0.00 0.02 0.00 0.00 57.03 56.85 3hgr h ASP 182 Cb 1.34 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.84 3hgr h ASP 182 CO 0.55 0.34 0.73 0.61 -1.72 0.00 0.00 179.24 179.74 3hgr n GLY 183 N 0.43 0.31 3.13 2.75 0.00 -1.17 -4.79 105.19 105.83 3hgr n GLY 183 Ca 0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 3hgr n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hgr s VAL 184 N -2.05 0.84 -0.25 1.61 -7.23 -0.42 -0.15 120.40 112.76 3hgr s VAL 184 Ca 0.24 -1.27 -0.04 0.00 -1.81 0.00 0.00 61.98 59.10 3hgr s VAL 184 Cb -0.01 -0.93 0.01 0.00 0.56 0.00 0.00 36.38 36.01 3hgr s VAL 184 CO -0.00 -0.35 -0.02 -0.70 -0.31 0.00 0.00 175.10 173.72 3hgr s GLU 185 N -1.86 3.15 0.13 4.82 2.12 0.11 -0.84 118.70 126.32 3hgr s GLU 185 Ca -0.04 -0.79 -0.30 0.00 0.36 0.00 0.00 54.97 54.20 3hgr s GLU 185 Cb -0.09 -3.10 -0.07 0.00 0.26 0.00 0.00 34.13 31.13 3hgr s GLU 185 CO 0.01 -0.32 1.23 0.42 -0.54 0.00 0.00 175.26 176.06 3hgr s ILE 186 N 1.44 3.71 -0.98 -3.70 1.01 -0.52 -1.36 121.20 120.80 3hgr s ILE 186 Ca 0.03 1.32 -0.18 0.00 0.00 0.00 0.00 60.65 61.81 3hgr s ILE 186 Cb -0.16 -3.84 0.13 0.00 0.01 0.00 0.00 42.46 38.60 3hgr s ILE 186 CO -0.02 0.15 1.20 -2.28 0.00 0.00 0.00 174.94 173.99 3hgr s HIS 187 N 0.55 3.11 -0.36 3.97 2.46 -0.92 -0.72 115.29 123.38 3hgr s HIS 187 Ca 0.57 -1.44 0.08 0.00 0.47 0.00 0.00 55.06 54.74 3hgr s HIS 187 Cb -0.32 -4.33 0.70 0.00 -0.13 0.00 0.00 32.58 28.50 3hgr s HIS 187 CO 0.33 -1.52 1.77 0.41 -2.47 0.00 0.00 174.74 173.26 3hgr n GLY 188 N 5.44 3.65 1.61 1.59 0.00 0.17 -4.41 105.19 113.24 3hgr n GLY 188 Ca 0.27 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 3hgr n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hgr n ALA 189 N -0.25 0.25 -3.47 4.61 0.00 -1.12 -3.98 120.51 116.56 3hgr n ALA 189 Ca 0.42 -1.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.61 3hgr n ALA 189 Cb 1.38 0.64 0.00 0.00 0.00 0.00 0.00 19.45 21.47 3hgr n ALA 189 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hgr n HIS 190 N -0.47 -1.89 -1.16 0.00 8.25 -1.26 -2.23 115.22 116.46 3hgr n HIS 190 Ca -0.05 0.57 -0.05 0.00 -0.26 0.00 0.00 57.72 57.92 3hgr n HIS 190 Cb 0.29 -3.29 -0.02 0.00 1.12 0.00 0.00 29.99 28.09 3hgr n HIS 190 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hgr n GLY 191 N -1.31 0.72 0.85 -1.41 0.00 -1.25 -4.61 105.19 98.18 3hgr n GLY 191 Ca -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 3hgr n GLY 191 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hgr n TYR 192 N -2.55 -3.92 -0.21 1.61 4.01 -0.95 -4.48 117.16 110.68 3hgr n TYR 192 Ca -0.05 -0.27 0.01 0.00 -0.16 0.00 0.00 57.90 57.42 3hgr n TYR 192 Cb 0.33 -0.22 0.11 0.00 -0.31 0.00 0.00 39.34 39.24 3hgr n TYR 192 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3hgr h LEU 193 N 0.00 -0.25 -0.27 7.72 5.85 -1.15 0.34 115.31 127.55 3hgr h LEU 193 Ca -0.09 0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3hgr h LEU 193 Cb 0.26 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3hgr h LEU 193 CO 0.07 -0.11 -0.05 0.40 -0.34 0.00 0.00 178.44 178.41 3hgr h ILE 194 N 0.13 1.28 0.00 4.05 2.04 -1.79 -2.50 117.51 120.71 3hgr h ILE 194 Ca 0.33 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 3hgr h ILE 194 Cb 0.53 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3hgr h ILE 194 CO -0.52 0.34 -0.12 -0.78 0.00 0.00 0.00 178.15 177.06 3hgr h ASP 195 N 0.28 0.00 -0.57 1.72 3.58 -1.54 -2.24 116.42 117.64 3hgr h ASP 195 Ca 0.07 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 3hgr h ASP 195 Cb 0.52 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 3hgr h ASP 195 CO 0.02 0.12 0.32 1.56 -2.88 0.00 0.00 179.24 178.39 3hgr h GLN 196 N 0.00 0.82 0.02 0.28 4.20 0.12 -0.52 115.11 120.03 3hgr h GLN 196 Ca -0.00 -0.08 -0.21 0.00 0.06 0.00 0.00 58.65 58.42 3hgr h GLN 196 Cb 0.22 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3hgr h GLN 196 CO 0.02 0.61 -0.95 0.74 -0.67 0.00 0.00 178.83 178.57 3hgr h PHE 197 N 0.83 0.26 -0.22 2.96 -1.00 -1.28 -3.26 116.94 115.22 3hgr h PHE 197 Ca 0.21 -0.16 -0.14 0.00 2.81 0.00 0.00 57.97 60.69 3hgr h PHE 197 Cb 0.03 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.56 3hgr h PHE 197 CO 0.01 1.01 -0.41 0.52 -1.61 0.00 0.00 178.31 177.83 3hgr h MET 198 N 0.08 0.67 -6.42 1.51 2.86 -1.24 -3.42 114.93 108.98 3hgr h MET 198 Ca -0.05 -0.43 -0.54 0.00 -2.06 0.00 0.00 59.70 56.62 3hgr h MET 198 Cb 1.61 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.31 3hgr h MET 198 CO 0.14 1.05 0.54 0.15 1.06 0.00 0.00 176.91 179.84 3hgr s LYS 199 N -4.09 4.45 0.00 1.72 -0.14 -0.25 -4.82 119.74 116.60 3hgr s LYS 199 Ca -0.12 1.64 0.25 0.00 -1.36 0.00 0.00 55.97 56.37 3hgr s LYS 199 Cb 0.08 -3.43 1.22 0.00 -1.68 0.00 0.00 37.83 34.02 3hgr s LYS 199 CO 0.84 -0.24 1.83 -0.40 -0.76 0.00 0.00 175.35 176.62 3hgr n ASP 200 N 4.23 0.00 -0.16 2.83 5.68 -1.24 -0.77 116.55 127.12 3hgr n ASP 200 Ca 0.09 0.04 0.13 0.00 -0.50 0.00 0.00 54.79 54.55 3hgr n ASP 200 Cb 0.48 -0.33 0.48 0.00 -1.14 0.00 0.00 41.12 40.61 3hgr n ASP 200 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hgr n GLN 201 N -1.33 0.67 0.00 0.11 1.13 -1.11 -4.31 117.38 112.54 3hgr n GLN 201 Ca 0.11 -0.32 0.00 0.00 -1.94 0.00 0.00 57.00 54.85 3hgr n GLN 201 Cb 0.22 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.07 3hgr n GLN 201 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3hgr n VAL 202 N -0.89 0.00 -2.37 5.09 0.31 -1.02 -4.93 118.33 114.52 3hgr n VAL 202 Ca 0.12 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.07 3hgr n VAL 202 Cb 0.32 -1.13 -0.03 0.00 -0.91 0.00 0.00 33.84 32.08 3hgr n VAL 202 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3hgr s ASN 203 N -4.70 5.90 -0.29 4.52 3.84 0.05 -4.49 114.94 119.78 3hgr s ASN 203 Ca 0.00 -0.47 0.10 0.00 0.21 0.00 0.00 52.86 52.70 3hgr s ASN 203 Cb 0.00 -2.55 0.54 0.00 -0.55 0.00 0.00 41.25 38.69 3hgr s ASN 203 CO 0.00 -2.01 1.53 -0.90 -2.79 0.00 0.00 177.10 172.93 3hgr n ASP 204 N 10.61 3.07 -4.76 -4.21 3.85 -1.26 -4.71 116.55 119.14 3hgr n ASP 204 Ca 0.17 -3.55 -0.34 0.00 -0.71 0.00 0.00 54.79 50.36 3hgr n ASP 204 Cb 0.50 -0.64 0.05 0.00 -1.35 0.00 0.00 41.12 39.67 3hgr n ASP 204 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3hgr s ARG 205 N -3.14 2.76 -0.09 0.11 0.52 -1.26 -4.96 118.95 112.88 3hgr s ARG 205 Ca 0.46 1.53 0.12 0.00 -0.52 0.00 0.00 55.73 57.33 3hgr s ARG 205 Cb 0.40 -1.93 0.22 0.00 0.52 0.00 0.00 34.95 34.16 3hgr s ARG 205 CO 0.04 -1.31 1.14 -1.13 0.02 0.00 0.00 175.30 174.06 3hgr n SER 206 N -2.24 2.44 0.00 0.23 3.41 -1.26 -3.30 113.62 112.89 3hgr n SER 206 Ca 0.11 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 3hgr n SER 206 Cb 0.51 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3hgr n SER 206 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hgr n ASP 207 N -0.92 0.18 0.00 4.04 5.75 -1.26 -4.98 116.55 119.36 3hgr n ASP 207 Ca 0.11 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 55.01 3hgr n ASP 207 Cb 0.53 0.00 0.60 0.00 -1.03 0.00 0.00 41.12 41.22 3hgr n ASP 207 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 3hgr n LYS 208 N 0.00 0.38 -0.65 0.11 2.85 -1.26 -3.17 118.16 116.41 3hgr n LYS 208 Ca 0.00 0.06 0.07 0.00 -1.05 0.00 0.00 58.31 57.39 3hgr n LYS 208 Cb 0.00 -1.50 0.32 0.00 -0.65 0.00 0.00 35.03 33.20 3hgr n LYS 208 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3hgr n TYR 209 N -1.26 1.45 -3.21 5.58 4.01 -1.26 -4.53 117.16 117.94 3hgr n TYR 209 Ca 0.12 -0.83 -0.02 0.00 -0.16 0.00 0.00 57.90 57.00 3hgr n TYR 209 Cb 0.17 -0.41 0.01 0.00 -0.31 0.00 0.00 39.34 38.80 3hgr n TYR 209 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hgr n GLY 210 N -0.05 1.82 3.46 2.72 0.00 -1.19 -3.93 105.19 108.03 3hgr n GLY 210 Ca 0.25 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3hgr n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hgr n GLY 211 N -0.13 2.73 3.33 -0.02 0.00 -1.21 -4.58 105.19 105.32 3hgr n GLY 211 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3hgr n GLY 211 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hgr s SER 212 N -0.23 0.07 0.11 1.61 1.04 -1.26 -5.04 113.70 110.00 3hgr s SER 212 Ca 0.00 -1.03 -0.21 0.00 0.48 0.00 0.00 55.95 55.18 3hgr s SER 212 Cb 0.00 0.43 -0.11 0.00 0.10 0.00 0.00 66.02 66.45 3hgr s SER 212 CO 0.00 -0.91 1.75 0.25 0.98 0.00 0.00 173.24 175.32 3hgr h LEU 213 N 2.55 0.09 0.01 2.42 5.85 -1.97 -0.15 115.31 124.10 3hgr h LEU 213 Ca -0.32 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.43 3hgr h LEU 213 Cb 1.23 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 3hgr h LEU 213 CO 0.48 0.07 -0.16 -0.08 -0.34 0.00 0.00 178.44 178.41 3hgr h GLU 214 N 0.11 -0.26 -0.57 1.25 4.81 -1.96 -2.56 114.58 115.39 3hgr h GLU 214 Ca 0.04 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3hgr h GLU 214 Cb -0.00 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3hgr h GLU 214 CO -0.02 -0.17 0.37 -0.91 -0.73 0.00 0.00 179.01 177.54 3hgr h ASN 215 N -0.27 0.67 0.10 1.04 4.21 -1.75 -1.81 115.58 117.76 3hgr h ASN 215 Ca 0.05 -0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 3hgr h ASN 215 Cb 0.33 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.36 3hgr h ASN 215 CO -0.15 0.50 -0.03 0.03 -1.29 0.00 0.00 177.43 176.50 3hgr h ARG 216 N 0.77 0.00 -0.01 0.81 3.08 -0.84 -1.82 114.38 116.38 3hgr h ARG 216 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3hgr h ARG 216 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3hgr h ARG 216 CO -0.04 0.03 -0.54 0.00 -1.07 0.00 0.00 179.97 178.35 3hgr h ARG 218 N 1.62 0.30 0.42 0.00 2.43 -0.52 -1.36 114.38 117.26 3hgr h ARG 218 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3hgr h ARG 218 Cb 0.65 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3hgr h ARG 218 CO 0.00 0.20 -0.38 0.35 -1.51 0.00 0.00 179.97 178.63 3hgr h PHE 219 N 0.31 -1.04 -0.45 2.20 3.57 -1.77 0.46 116.94 120.22 3hgr h PHE 219 Ca 0.23 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.82 3hgr h PHE 219 Cb 0.26 0.40 -0.07 0.00 2.79 0.00 0.00 35.95 39.33 3hgr h PHE 219 CO -0.18 -0.54 0.03 0.00 -2.23 0.00 0.00 178.31 175.40 3hgr h ALA 220 N -0.42 0.45 -0.46 2.41 0.00 -1.79 -1.35 119.26 118.10 3hgr h ALA 220 Ca -0.04 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3hgr h ALA 220 Cb 0.71 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3hgr h ALA 220 CO -0.04 -0.36 -0.01 -0.07 0.00 0.00 0.00 179.25 178.76 3hgr h LEU 221 N 0.15 0.72 -1.13 0.00 3.38 -0.86 -0.91 115.31 116.66 3hgr h LEU 221 Ca 0.22 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3hgr h LEU 221 Cb 0.31 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3hgr h LEU 221 CO -0.34 0.80 0.09 -0.33 0.09 0.00 0.00 178.44 178.74 3hgr h GLU 222 N 0.70 0.70 -0.27 1.13 5.08 0.59 -1.73 114.58 120.78 3hgr h GLU 222 Ca 0.14 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3hgr h GLU 222 Cb 0.45 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3hgr h GLU 222 CO 0.02 0.66 -0.11 0.82 -1.00 0.00 0.00 179.01 179.40 3hgr h ILE 223 N 0.68 1.29 -0.75 3.13 2.04 -0.63 -0.77 117.51 122.50 3hgr h ILE 223 Ca 0.15 -1.17 0.03 0.00 1.00 0.00 0.00 64.86 64.87 3hgr h ILE 223 Cb 0.29 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 3hgr h ILE 223 CO 0.00 0.37 0.47 0.58 0.00 0.00 0.00 178.15 179.57 3hgr h VAL 224 N 0.29 1.11 0.60 1.67 2.07 -0.92 0.92 116.25 121.99 3hgr h VAL 224 Ca 0.06 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3hgr h VAL 224 Cb 0.61 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3hgr h VAL 224 CO 0.04 0.17 -0.29 -0.08 0.02 0.00 0.00 177.57 177.43 3hgr h GLU 225 N 0.92 -0.78 -0.76 1.57 4.81 -1.23 0.11 114.58 119.21 3hgr h GLU 225 Ca 0.30 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.69 3hgr h GLU 225 Cb 0.02 0.18 -0.08 0.00 0.63 0.00 0.00 28.75 29.50 3hgr h GLU 225 CO -0.11 -0.46 0.39 0.00 -0.73 0.00 0.00 179.01 178.09 3hgr h ALA 226 N -0.73 1.08 -0.04 2.92 0.00 -0.93 0.12 119.26 121.68 3hgr h ALA 226 Ca -0.08 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hgr h ALA 226 Cb 0.67 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hgr h ALA 226 CO 0.14 -0.04 -0.01 0.28 0.00 0.00 0.00 179.25 179.62 3hgr h VAL 227 N 0.63 1.30 -0.73 0.00 2.07 -0.76 -1.55 116.25 117.21 3hgr h VAL 227 Ca 0.39 -0.93 0.07 0.00 0.82 0.00 0.00 66.70 67.05 3hgr h VAL 227 Cb 0.44 1.86 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 3hgr h VAL 227 CO -0.29 0.25 0.41 0.00 0.02 0.00 0.00 177.57 177.95 3hgr h ALA 228 N 0.64 1.01 -0.26 1.67 0.00 -0.27 0.57 119.26 122.62 3hgr h ALA 228 Ca 0.01 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3hgr h ALA 228 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hgr h ALA 228 CO 0.00 0.07 -0.25 -0.91 0.00 0.00 0.00 179.25 178.16 3hgr h ASN 229 N 0.72 0.49 -0.12 0.00 2.35 -0.76 0.99 115.58 119.25 3hgr h ASN 229 Ca 0.34 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.79 3hgr h ASN 229 Cb 0.26 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3hgr h ASN 229 CO -0.21 0.74 -0.44 -0.08 -1.65 0.00 0.00 177.43 175.78 3hgr h GLU 230 N 0.43 0.52 0.00 0.81 4.57 -0.16 -3.39 114.58 117.36 3hgr h GLU 230 Ca 0.06 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 3hgr h GLU 230 Cb 0.67 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 3hgr h GLU 230 CO 0.05 1.01 0.00 0.44 -1.18 0.00 0.00 179.01 179.33 3hgr n ILE 231 N -4.27 0.07 -0.02 2.32 -5.35 0.07 -4.99 119.36 107.20 3hgr n ILE 231 Ca -0.07 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 3hgr n ILE 231 Cb 0.56 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 3hgr n ILE 231 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hgr n GLY 232 N -0.04 -0.15 0.33 3.28 0.00 0.34 -4.63 105.19 104.33 3hgr n GLY 232 Ca 0.00 -1.22 0.19 0.00 0.00 0.00 0.00 46.02 44.99 3hgr n GLY 232 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hgr h SER 233 N 0.00 0.00 0.04 1.61 4.64 -1.84 -1.02 113.55 116.98 3hgr h SER 233 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hgr h SER 233 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hgr h SER 233 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 3hgr n ASP 234 N -3.40 0.00 -0.10 4.97 5.68 -1.26 -2.17 116.55 120.26 3hgr n ASP 234 Ca -0.02 -0.79 0.05 0.00 -0.50 0.00 0.00 54.79 53.54 3hgr n ASP 234 Cb 0.20 -0.02 0.07 0.00 -1.14 0.00 0.00 41.12 40.23 3hgr n ASP 234 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3hgr n ARG 235 N -1.02 1.49 -4.96 0.11 1.74 -0.39 -4.48 116.66 109.15 3hgr n ARG 235 Ca 0.20 -1.94 -0.28 0.00 -0.77 0.00 0.00 57.85 55.06 3hgr n ARG 235 Cb 0.10 -1.16 -0.16 0.00 -1.02 0.00 0.00 32.46 30.22 3hgr n ARG 235 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hgr s VAL 236 N -1.79 1.63 0.40 1.55 1.01 -1.09 -1.30 120.40 120.80 3hgr s VAL 236 Ca 0.17 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3hgr s VAL 236 Cb 0.15 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3hgr s VAL 236 CO 0.02 0.46 0.09 -0.83 0.00 0.00 0.00 175.10 174.84 3hgr s GLY 237 N 0.14 2.53 -0.20 4.51 0.00 -0.02 -0.72 107.32 113.57 3hgr s GLY 237 Ca -0.08 -1.34 -0.17 0.00 0.00 0.00 0.00 44.72 43.13 3hgr s GLY 237 CO 0.04 -1.88 0.51 -1.50 0.00 0.00 0.00 173.10 170.27 3hgr s ILE 238 N -3.18 -0.00 -0.06 0.90 2.07 -1.22 -1.44 121.20 118.26 3hgr s ILE 238 Ca 0.25 0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.51 3hgr s ILE 238 Cb 0.04 -0.72 -0.03 0.00 0.13 0.00 0.00 42.46 41.88 3hgr s ILE 238 CO 0.13 0.00 -0.10 -0.60 -1.91 0.00 0.00 174.94 172.47 3hgr s ARG 239 N 0.45 2.68 0.06 3.50 3.52 0.10 -0.87 118.95 128.39 3hgr s ARG 239 Ca -0.01 -0.61 -0.04 0.00 -0.13 0.00 0.00 55.73 54.93 3hgr s ARG 239 Cb -0.04 -2.51 -0.02 0.00 -1.56 0.00 0.00 34.95 30.82 3hgr s ARG 239 CO -0.02 0.63 0.06 0.96 -0.81 0.00 0.00 175.30 176.12 3hgr s ILE 240 N -0.73 0.18 -0.44 4.11 -4.36 -0.42 0.46 121.20 120.00 3hgr s ILE 240 Ca 0.11 -1.50 0.07 0.00 -0.26 0.00 0.00 60.65 59.07 3hgr s ILE 240 Cb -0.11 -1.36 0.22 0.00 1.25 0.00 0.00 42.46 42.46 3hgr s ILE 240 CO 0.01 -0.83 0.60 -1.54 0.24 0.00 0.00 174.94 173.43 3hgr n SER 241 N 0.16 -1.23 -0.27 4.36 3.41 -1.26 -1.86 113.62 116.93 3hgr n SER 241 Ca -0.15 -2.81 0.14 0.00 -0.26 0.00 0.00 58.87 55.79 3hgr n SER 241 Cb 0.61 0.32 0.41 0.00 -0.26 0.00 0.00 64.21 65.29 3hgr n SER 241 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3hgr h PRO 242 N 4.49 0.60 0.00 4.33 0.11 -1.89 -2.07 132.00 137.56 3hgr h PRO 242 Ca 0.06 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3hgr h PRO 242 Cb 0.95 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3hgr h PRO 242 CO 0.35 0.40 -0.40 1.19 -0.21 0.00 0.00 178.00 179.32 3hgr n PHE 243 N -4.57 0.03 -2.37 0.65 3.01 -1.26 -4.66 117.46 108.30 3hgr n PHE 243 Ca 0.18 0.01 -0.36 0.00 1.01 0.00 0.00 57.45 58.29 3hgr n PHE 243 Cb 0.54 -0.32 -0.02 0.00 -0.01 0.00 0.00 39.48 39.67 3hgr n PHE 243 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hgr s ALA 244 N -3.01 2.96 -0.14 4.37 0.00 -0.78 -4.83 121.76 120.33 3hgr s ALA 244 Ca 0.11 0.82 0.01 0.00 0.00 0.00 0.00 51.96 52.91 3hgr s ALA 244 Cb 0.18 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.98 3hgr s ALA 244 CO 0.67 -0.51 0.66 0.72 0.00 0.00 0.00 175.76 177.30 3hgr n HIS 245 N -0.53 0.01 -1.60 0.00 8.25 -1.26 -4.27 115.22 115.81 3hgr n HIS 245 Ca 0.07 -0.13 -0.47 0.00 -0.26 0.00 0.00 57.72 56.94 3hgr n HIS 245 Cb 0.49 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 3hgr n HIS 245 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3hgr n TYR 246 N -0.04 1.49 -2.52 4.41 4.19 -1.26 -1.96 117.16 121.46 3hgr n TYR 246 Ca 0.01 0.63 -0.14 0.00 3.31 0.00 0.00 57.90 61.71 3hgr n TYR 246 Cb 0.09 -2.31 0.01 0.00 0.49 0.00 0.00 39.34 37.62 3hgr n TYR 246 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 3hgr n ASN 247 N 1.79 -4.28 -3.53 2.98 3.02 -1.26 -3.04 115.26 110.93 3hgr n ASN 247 Ca 0.12 -0.11 -0.26 0.00 -0.03 0.00 0.00 54.58 54.31 3hgr n ASN 247 Cb 0.28 -3.29 0.02 0.00 -0.61 0.00 0.00 39.78 36.18 3hgr n ASN 247 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hgr n GLU 248 N -2.57 -4.72 -2.61 3.52 1.02 -0.83 -4.91 120.64 109.54 3hgr n GLU 248 Ca -0.11 0.62 -0.29 0.00 -0.02 0.00 0.00 57.16 57.36 3hgr n GLU 248 Cb 0.59 -5.45 -0.01 0.00 -0.02 0.00 0.00 31.44 26.55 3hgr n GLU 248 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hgr n ALA 249 N -4.06 5.16 -2.11 0.62 0.00 -1.10 -4.70 120.51 114.32 3hgr n ALA 249 Ca -0.01 -4.48 -0.13 0.00 0.00 0.00 0.00 53.44 48.83 3hgr n ALA 249 Cb 0.55 -0.90 0.08 0.00 0.00 0.00 0.00 19.45 19.19 3hgr n ALA 249 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hgr n GLY 250 N -0.36 -0.05 3.14 0.00 0.00 -1.26 -4.58 105.19 102.08 3hgr n GLY 250 Ca 0.38 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 3hgr n GLY 250 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hgr s ASP 251 N -3.45 -0.19 0.44 1.61 -1.08 -1.26 -2.76 116.67 109.98 3hgr s ASP 251 Ca 0.39 0.29 0.22 0.00 -0.52 0.00 0.00 52.55 52.93 3hgr s ASP 251 Cb -0.02 0.41 1.01 0.00 -1.46 0.00 0.00 42.92 42.87 3hgr s ASP 251 CO 0.27 -0.20 1.88 0.71 0.52 0.00 0.00 175.17 178.35 3hgr h THR 252 N 4.51 0.73 -2.10 1.71 1.35 -1.97 -3.33 112.91 113.81 3hgr h THR 252 Ca -0.27 -1.04 -0.56 0.00 -0.55 0.00 0.00 66.41 63.98 3hgr h THR 252 Cb 1.19 1.66 -0.40 0.00 -1.73 0.00 0.00 68.15 68.86 3hgr h THR 252 CO 0.37 0.24 -0.90 -3.20 -0.25 0.00 0.00 175.52 171.78 3hgr n ASN 253 N -3.59 1.95 -0.04 5.36 2.85 -1.26 -4.97 115.26 115.54 3hgr n ASN 253 Ca -0.01 -3.10 -0.08 0.00 -0.11 0.00 0.00 54.58 51.28 3hgr n ASN 253 Cb 0.38 -0.64 -0.02 0.00 1.24 0.00 0.00 39.78 40.75 3hgr n ASN 253 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3hgr h PRO 254 N 3.79 -0.24 -0.76 1.20 0.11 -1.84 0.82 132.00 135.08 3hgr h PRO 254 Ca 0.12 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.27 3hgr h PRO 254 Cb 0.78 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.90 3hgr h PRO 254 CO 0.63 -0.16 0.49 1.79 -0.21 0.00 0.00 178.00 180.54 3hgr h THR 255 N -0.24 1.14 -0.43 -1.15 1.35 -1.93 0.15 112.91 111.79 3hgr h THR 255 Ca 0.13 -0.33 -0.12 0.00 -0.55 0.00 0.00 66.41 65.54 3hgr h THR 255 Cb 0.45 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.94 3hgr h THR 255 CO -0.37 0.18 -0.23 0.00 -0.25 0.00 0.00 175.52 174.85 3hgr h ALA 256 N 1.31 0.79 -0.24 6.62 0.00 -1.86 0.04 119.26 125.92 3hgr h ALA 256 Ca 0.30 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3hgr h ALA 256 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hgr h ALA 256 CO -0.10 0.65 0.08 1.25 0.00 0.00 0.00 179.25 181.14 3hgr h LEU 257 N 0.76 0.34 -0.33 0.00 5.85 -0.14 -0.55 115.31 121.24 3hgr h LEU 257 Ca 0.10 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3hgr h LEU 257 Cb 0.77 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3hgr h LEU 257 CO 0.06 0.44 0.20 1.23 -0.34 0.00 0.00 178.44 180.04 3hgr h GLY 258 N 0.22 0.48 0.94 3.75 0.00 -0.56 -1.86 103.07 106.04 3hgr h GLY 258 Ca 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3hgr h GLY 258 CO -0.00 0.19 0.15 -2.00 0.00 0.00 0.00 176.54 174.88 3hgr h LEU 259 N 0.43 0.39 -0.48 3.11 5.85 -0.87 -2.09 115.31 121.66 3hgr h LEU 259 Ca 0.12 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3hgr h LEU 259 Cb 0.00 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3hgr h LEU 259 CO -0.02 0.39 0.15 0.22 -0.34 0.00 0.00 178.44 178.84 3hgr h TYR 260 N 0.36 0.27 -0.26 1.25 3.20 -0.98 -1.83 116.97 118.97 3hgr h TYR 260 Ca 0.10 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3hgr h TYR 260 Cb 0.10 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3hgr h TYR 260 CO -0.02 0.08 0.14 0.52 -1.64 0.00 0.00 178.16 177.24 3hgr h MET 261 N 0.32 0.37 -0.68 1.82 2.86 -1.07 -1.76 114.93 116.78 3hgr h MET 261 Ca 0.23 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.76 3hgr h MET 261 Cb 0.26 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3hgr h MET 261 CO -0.25 0.33 0.15 -0.39 1.06 0.00 0.00 176.91 177.81 3hgr h VAL 262 N 0.31 1.26 -0.43 -2.22 -1.51 -1.13 0.37 116.25 112.90 3hgr h VAL 262 Ca 0.09 -0.98 -0.08 0.00 -1.23 0.00 0.00 66.70 64.51 3hgr h VAL 262 Cb 0.07 0.58 -0.02 0.00 -2.13 0.00 0.00 31.29 29.79 3hgr h VAL 262 CO -0.01 0.37 -0.05 -0.33 -1.23 0.00 0.00 177.57 176.32 3hgr h GLU 263 N 1.03 0.73 -0.03 5.19 5.08 -1.23 -2.56 114.58 122.80 3hgr h GLU 263 Ca 0.21 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3hgr h GLU 263 Cb 0.39 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3hgr h GLU 263 CO 0.00 0.77 -0.68 0.77 -1.00 0.00 0.00 179.01 178.88 3hgr h SER 264 N 0.67 0.15 1.24 1.42 0.02 -0.97 -3.06 113.55 113.03 3hgr h SER 264 Ca 0.13 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3hgr h SER 264 Cb 0.49 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3hgr h SER 264 CO 0.03 0.78 0.00 -0.07 -1.14 0.00 0.00 176.83 176.43 3hgr h LEU 265 N 0.09 0.00 -0.55 5.07 3.38 -0.58 -3.29 115.31 119.42 3hgr h LEU 265 Ca -0.01 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3hgr h LEU 265 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 3hgr h LEU 265 CO 0.10 0.00 0.32 0.78 0.09 0.00 0.00 178.44 179.73 3hgr h ASN 266 N 0.00 0.51 0.13 -0.43 2.35 -1.35 -2.49 115.58 114.30 3hgr h ASN 266 Ca 0.00 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3hgr h ASN 266 Cb 0.62 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 3hgr h ASN 266 CO 0.00 0.35 -0.00 0.07 -1.65 0.00 0.00 177.43 176.20 3hgr h LYS 267 N 0.63 0.00 0.00 0.81 2.10 -1.75 -2.50 116.57 115.85 3hgr h LYS 267 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 3hgr h LYS 267 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 3hgr h LYS 267 CO -0.12 0.00 -0.41 0.66 -2.00 0.00 0.00 179.45 177.58 3hgr n TYR 268 N -3.18 0.59 -3.62 0.07 4.02 -0.94 -4.99 117.16 109.12 3hgr n TYR 268 Ca -0.03 0.17 -0.29 0.00 -0.01 0.00 0.00 57.90 57.75 3hgr n TYR 268 Cb 0.10 -0.70 0.05 0.00 -0.02 0.00 0.00 39.34 38.77 3hgr n TYR 268 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3hgr n ASP 269 N -2.08 -5.30 -4.81 7.72 2.03 -0.95 -4.75 116.55 108.41 3hgr n ASP 269 Ca 0.04 -0.97 -0.30 0.00 0.52 0.00 0.00 54.79 54.09 3hgr n ASP 269 Cb 0.42 -3.66 0.09 0.00 -0.72 0.00 0.00 41.12 37.26 3hgr n ASP 269 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hgr s LEU 270 N -6.33 2.59 0.38 -2.67 1.43 -1.26 -4.25 118.68 108.57 3hgr s LEU 270 Ca 0.45 1.27 0.14 0.00 -1.03 0.00 0.00 54.13 54.96 3hgr s LEU 270 Cb -0.15 -3.88 0.76 0.00 0.03 0.00 0.00 46.19 42.95 3hgr s LEU 270 CO 0.84 -1.95 1.84 0.00 0.23 0.00 0.00 176.35 177.31 3hgr h ALA 271 N -1.08 1.38 -1.52 4.21 0.00 -0.42 -3.45 119.26 118.39 3hgr h ALA 271 Ca -0.47 -0.32 0.31 0.00 0.00 0.00 0.00 54.91 54.43 3hgr h ALA 271 Cb 1.27 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.89 3hgr h ALA 271 CO 0.60 0.44 0.80 1.52 0.00 0.00 0.00 179.25 182.61 3hgr s TYR 272 N -4.19 -0.05 -0.15 0.00 -0.85 -1.24 -4.33 117.35 106.54 3hgr s TYR 272 Ca -0.03 -0.07 -0.01 0.00 -0.52 0.00 0.00 57.07 56.45 3hgr s TYR 272 Cb 0.14 0.55 0.04 0.00 0.38 0.00 0.00 41.96 43.07 3hgr s TYR 272 CO 0.72 -0.32 -0.05 0.00 -1.52 0.00 0.00 175.55 174.38 3hgr s HIS 274 N 1.69 3.23 -0.03 0.00 2.46 -0.05 -0.70 115.29 121.89 3hgr s HIS 274 Ca 0.02 0.17 0.05 0.00 0.47 0.00 0.00 55.06 55.77 3hgr s HIS 274 Cb -0.14 -2.56 -0.01 0.00 -0.13 0.00 0.00 32.58 29.74 3hgr s HIS 274 CO -0.08 -0.29 -0.18 0.08 -2.47 0.00 0.00 174.74 171.81 3hgr s VAL 275 N 1.97 1.45 -0.03 0.89 1.01 0.15 -1.30 120.40 124.53 3hgr s VAL 275 Ca 0.12 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 3hgr s VAL 275 Cb -0.16 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 3hgr s VAL 275 CO 0.11 0.41 0.55 -0.69 0.00 0.00 0.00 175.10 175.48 3hgr s VAL 276 N -0.11 4.99 0.79 2.92 1.01 -0.78 -2.60 120.40 126.63 3hgr s VAL 276 Ca -0.01 1.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.98 3hgr s VAL 276 Cb -0.10 -3.88 0.07 0.00 0.00 0.00 0.00 36.38 32.47 3hgr s VAL 276 CO 0.01 0.41 1.16 -1.61 0.00 0.00 0.00 175.10 175.07 3hgr s GLU 277 N -0.06 1.87 0.91 2.72 0.41 0.16 -4.76 118.70 119.95 3hgr s GLU 277 Ca 0.29 1.56 -0.13 0.00 -0.41 0.00 0.00 54.97 56.28 3hgr s GLU 277 Cb -0.17 -1.82 0.14 0.00 -1.78 0.00 0.00 34.13 30.50 3hgr s GLU 277 CO 0.15 -2.00 1.16 -2.14 -0.49 0.00 0.00 175.26 171.94 3hgr s PRO 278 N -4.32 1.11 0.00 0.39 0.02 -1.26 -4.90 135.00 126.04 3hgr s PRO 278 Ca 0.69 0.18 0.00 0.00 0.02 0.00 0.00 61.00 61.89 3hgr s PRO 278 Cb -0.24 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3hgr s PRO 278 CO 0.51 -2.20 0.00 0.54 -0.33 0.00 0.00 177.00 175.52 3hgr n ARG 279 N -3.74 -0.02 0.00 5.54 3.00 -1.26 -5.06 116.66 115.12 3hgr n ARG 279 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.92 3hgr n ARG 279 Cb 0.60 -2.81 0.00 0.00 0.00 0.00 0.00 32.46 30.24 3hgr n ARG 279 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3hgr n THR 290 N -2.56 0.00 -2.41 0.55 -2.24 -1.26 -5.05 114.28 101.31 3hgr n THR 290 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 3hgr n THR 290 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3hgr n THR 290 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hgr n GLU 291 N 0.00 -2.40 -3.47 -0.78 1.02 -1.26 -5.11 120.64 108.65 3hgr n GLU 291 Ca 0.00 2.08 -0.14 0.00 -0.02 0.00 0.00 57.16 59.08 3hgr n GLU 291 Cb 0.00 -4.29 -0.04 0.00 -0.02 0.00 0.00 31.44 27.10 3hgr n GLU 291 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hgr s SER 292 N -1.40 -0.58 0.00 1.62 0.15 -1.26 -4.93 113.70 107.29 3hgr s SER 292 Ca 0.04 0.27 0.24 0.00 0.70 0.00 0.00 55.95 57.19 3hgr s SER 292 Cb -0.01 0.56 0.21 0.00 -1.71 0.00 0.00 66.02 65.07 3hgr s SER 292 CO 0.57 -0.80 1.22 0.18 1.20 0.00 0.00 173.24 175.62 3hgr n LEU 293 N 0.12 1.63 0.05 3.45 4.77 -1.26 -4.50 117.00 121.27 3hgr n LEU 293 Ca -0.17 -0.58 -0.12 0.00 -0.03 0.00 0.00 56.01 55.11 3hgr n LEU 293 Cb 0.62 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.61 3hgr n LEU 293 CO 0.16 0.31 0.63 0.58 -1.33 0.00 0.00 177.39 177.74 3hgr h VAL 294 N 1.85 0.26 -0.97 4.08 2.07 -1.96 0.32 116.25 121.90 3hgr h VAL 294 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 3hgr h VAL 294 Cb 0.66 0.26 -0.09 0.00 -1.52 0.00 0.00 31.29 30.60 3hgr h VAL 294 CO 0.00 0.00 0.61 -0.65 0.02 0.00 0.00 177.57 177.55 3hgr h PRO 295 N -0.49 0.76 -0.27 1.57 0.11 -2.00 0.79 132.00 132.47 3hgr h PRO 295 Ca 0.06 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.97 3hgr h PRO 295 Cb 0.59 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3hgr h PRO 295 CO -0.29 0.51 -0.47 0.52 -0.21 0.00 0.00 178.00 178.05 3hgr h MET 296 N 0.79 0.71 -0.56 1.05 2.86 -1.64 -0.98 114.93 117.16 3hgr h MET 296 Ca 0.51 -0.41 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 3hgr h MET 296 Cb 0.75 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 3hgr h MET 296 CO -0.28 1.03 0.03 -0.09 1.06 0.00 0.00 176.91 178.66 3hgr h ARG 297 N 0.56 0.97 -0.26 1.72 1.12 0.53 -0.33 114.38 118.69 3hgr h ARG 297 Ca 0.03 -0.29 -0.09 0.00 -1.11 0.00 0.00 59.98 58.51 3hgr h ARG 297 Cb 1.03 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.88 3hgr h ARG 297 CO 0.10 0.96 -0.24 0.87 -3.11 0.00 0.00 179.97 178.55 3hgr h LYS 298 N 0.86 0.50 0.00 0.20 1.57 -0.77 -3.05 116.57 115.87 3hgr h LYS 298 Ca 0.16 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3hgr h LYS 298 Cb 0.50 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3hgr h LYS 298 CO 0.02 0.70 -0.32 0.00 -0.57 0.00 0.00 179.45 179.29 3hgr h ALA 299 N 1.31 0.84 -2.79 3.86 0.00 -0.84 -3.45 119.26 118.19 3hgr h ALA 299 Ca 0.07 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.38 3hgr h ALA 299 Cb 0.65 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 3hgr h ALA 299 CO 0.05 0.03 -0.06 -0.47 0.00 0.00 0.00 179.25 178.79 3hgr s TYR 300 N -3.25 3.63 -1.18 0.00 6.14 -0.16 -4.62 117.35 117.91 3hgr s TYR 300 Ca 0.05 1.09 0.25 0.00 0.64 0.00 0.00 57.07 59.10 3hgr s TYR 300 Cb 0.06 -2.58 0.44 0.00 0.42 0.00 0.00 41.96 40.31 3hgr s TYR 300 CO 0.71 0.31 1.36 1.63 0.64 0.00 0.00 175.55 180.20 3hgr n LYS 301 N 2.99 0.20 -0.68 4.97 5.02 -1.26 -4.91 118.16 124.48 3hgr n LYS 301 Ca -0.07 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 3hgr n LYS 301 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3hgr n LYS 301 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hgr n GLY 302 N 1.47 3.74 3.68 0.72 0.00 -1.26 -5.06 105.19 108.48 3hgr n GLY 302 Ca 0.07 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 3hgr n GLY 302 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hgr s THR 303 N 0.88 2.93 -0.10 2.61 2.01 -1.26 -4.92 115.64 117.80 3hgr s THR 303 Ca 0.00 0.25 -0.04 0.00 0.31 0.00 0.00 61.69 62.21 3hgr s THR 303 Cb 0.00 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 3hgr s THR 303 CO 0.00 -0.01 0.04 0.12 -0.69 0.00 0.00 174.62 174.08 3hgr s PHE 304 N 3.32 3.27 -0.06 4.92 5.36 -1.26 -1.01 117.98 132.54 3hgr s PHE 304 Ca 0.80 0.26 0.04 0.00 -0.96 0.00 0.00 56.93 57.07 3hgr s PHE 304 Cb -0.42 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.42 3hgr s PHE 304 CO 0.36 0.51 -0.16 0.42 -1.46 0.00 0.00 175.22 174.88 3hgr s ILE 305 N -0.82 1.38 0.21 3.12 1.01 0.12 -1.88 121.20 124.34 3hgr s ILE 305 Ca 0.13 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.20 3hgr s ILE 305 Cb -0.12 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 3hgr s ILE 305 CO 0.03 0.40 -0.03 0.68 0.00 0.00 0.00 174.94 176.02 3hgr s VAL 306 N 0.27 3.46 0.03 2.92 -7.23 -0.69 -0.68 120.40 118.49 3hgr s VAL 306 Ca -0.09 -1.67 -0.23 0.00 -1.81 0.00 0.00 61.98 58.18 3hgr s VAL 306 Cb -0.13 -2.77 0.05 0.00 0.56 0.00 0.00 36.38 34.08 3hgr s VAL 306 CO 0.03 -0.21 0.52 0.00 -0.31 0.00 0.00 175.10 175.14 3hgr s ALA 307 N -1.94 -1.33 0.00 1.32 0.00 -1.07 -0.74 121.76 118.01 3hgr s ALA 307 Ca 0.28 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.88 3hgr s ALA 307 Cb -0.08 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.37 3hgr s ALA 307 CO 0.18 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3hgr n GLY 308 N 0.50 1.53 2.12 0.00 0.00 -1.26 0.39 105.19 108.47 3hgr n GLY 308 Ca -0.19 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3hgr n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hgr n GLY 309 N 0.00 0.58 3.79 -0.02 0.00 -1.26 -4.78 105.19 103.50 3hgr n GLY 309 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3hgr n GLY 309 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hgr s TYR 310 N -2.29 2.87 0.10 1.61 1.51 -1.26 -5.03 117.35 114.86 3hgr s TYR 310 Ca 0.00 1.54 0.02 0.00 -1.01 0.00 0.00 57.07 57.61 3hgr s TYR 310 Cb 0.00 -3.09 -0.01 0.00 -0.11 0.00 0.00 41.96 38.75 3hgr s TYR 310 CO 0.00 -1.24 0.06 -0.40 -1.11 0.00 0.00 175.55 172.86 3hgr n ASP 311 N -1.78 0.45 0.07 2.29 5.75 -1.26 -4.97 116.55 117.10 3hgr n ASP 311 Ca 0.10 -1.61 -0.12 0.00 -0.01 0.00 0.00 54.79 53.15 3hgr n ASP 311 Cb 0.52 0.37 -0.05 0.00 -1.03 0.00 0.00 41.12 40.94 3hgr n ASP 311 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 3hgr h ARG 312 N 0.00 -0.41 0.67 0.11 2.43 -1.99 -1.76 114.38 113.43 3hgr h ARG 312 Ca -0.08 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3hgr h ARG 312 Cb 0.34 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3hgr h ARG 312 CO 0.12 -0.27 -0.44 1.49 -1.51 0.00 0.00 179.97 179.36 3hgr h GLU 313 N -0.42 -1.02 -0.32 0.20 4.81 -2.00 -2.39 114.58 113.44 3hgr h GLU 313 Ca 0.06 0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.44 3hgr h GLU 313 Cb 0.50 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3hgr h GLU 313 CO -0.23 -0.68 0.23 -0.44 -0.73 0.00 0.00 179.01 177.16 3hgr h ASP 314 N -1.06 0.03 -0.13 1.04 3.32 -1.95 -1.43 116.42 116.25 3hgr h ASP 314 Ca -0.08 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3hgr h ASP 314 Cb 0.86 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 3hgr h ASP 314 CO 0.07 0.02 -0.04 1.23 -1.72 0.00 0.00 179.24 178.79 3hgr h GLY 315 N 0.04 0.27 1.44 2.75 0.00 -1.01 -1.67 103.07 104.89 3hgr h GLY 315 Ca 0.15 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 3hgr h GLY 315 CO -0.01 0.22 -0.26 3.43 0.00 0.00 0.00 176.54 179.92 3hgr h ASN 316 N -0.08 0.66 -0.20 0.19 2.35 -0.90 -2.79 115.58 114.81 3hgr h ASN 316 Ca 0.03 -0.24 -0.08 0.00 -0.55 0.00 0.00 56.30 55.46 3hgr h ASN 316 Cb 0.48 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3hgr h ASN 316 CO 0.02 0.89 -0.12 -0.09 -1.65 0.00 0.00 177.43 176.48 3hgr h ARG 317 N 0.56 0.59 -0.55 0.81 2.43 -1.21 0.11 114.38 117.12 3hgr h ARG 317 Ca 0.08 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 3hgr h ARG 317 Cb 0.74 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3hgr h ARG 317 CO 0.06 0.70 0.15 0.00 -1.51 0.00 0.00 179.97 179.37 3hgr h ALA 318 N 1.33 0.72 -0.31 2.80 0.00 -1.09 0.17 119.26 122.88 3hgr h ALA 318 Ca 0.10 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 3hgr h ALA 318 Cb 0.53 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hgr h ALA 318 CO 0.03 0.40 -0.39 -0.07 0.00 0.00 0.00 179.25 179.22 3hgr h LEU 319 N 0.76 0.79 -0.74 0.00 3.38 -1.21 0.86 115.31 119.15 3hgr h LEU 319 Ca 0.17 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 3hgr h LEU 319 Cb 0.31 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hgr h LEU 319 CO -0.00 1.08 -0.27 0.40 0.09 0.00 0.00 178.44 179.74 3hgr h ILE 320 N 0.61 1.27 -0.06 1.22 1.08 -0.69 -2.01 117.51 118.94 3hgr h ILE 320 Ca 0.05 -1.37 0.00 0.00 -0.39 0.00 0.00 64.86 63.16 3hgr h ILE 320 Cb 0.93 1.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.99 3hgr h ILE 320 CO 0.08 0.45 0.00 -0.62 -0.69 0.00 0.00 178.15 177.37 3hgr n GLU 321 N -4.10 1.30 -2.81 2.37 1.02 0.57 -4.90 120.64 114.09 3hgr n GLU 321 Ca -0.00 -0.45 -0.21 0.00 -0.02 0.00 0.00 57.16 56.48 3hgr n GLU 321 Cb 0.44 -1.35 0.01 0.00 -0.02 0.00 0.00 31.44 30.53 3hgr n GLU 321 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3hgr n ASP 322 N -0.35 -5.68 0.02 1.62 2.03 -0.75 -4.89 116.55 108.55 3hgr n ASP 322 Ca 0.16 -0.17 0.13 0.00 0.52 0.00 0.00 54.79 55.42 3hgr n ASP 322 Cb 0.18 -4.65 0.44 0.00 -0.72 0.00 0.00 41.12 36.36 3hgr n ASP 322 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3hgr n ARG 323 N -3.60 0.07 -3.82 -0.67 1.74 0.23 -4.95 116.66 105.67 3hgr n ARG 323 Ca -0.15 0.04 -0.05 0.00 -0.77 0.00 0.00 57.85 56.92 3hgr n ARG 323 Cb 0.63 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3hgr n ARG 323 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hgr s ALA 324 N -3.03 -1.33 -0.05 7.54 0.00 -1.24 -4.87 121.76 118.78 3hgr s ALA 324 Ca 0.12 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 51.85 3hgr s ALA 324 Cb 0.17 0.72 -0.09 0.00 0.00 0.00 0.00 23.12 23.92 3hgr s ALA 324 CO 0.61 -1.03 0.07 -0.25 0.00 0.00 0.00 175.76 175.15 3hgr n ASP 325 N -0.90 3.36 -4.03 0.00 8.00 -0.79 -4.62 116.55 117.57 3hgr n ASP 325 Ca -0.05 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.32 3hgr n ASP 325 Cb 0.60 0.88 -0.12 0.00 -0.02 0.00 0.00 41.12 42.46 3hgr n ASP 325 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hgr s LEU 326 N -4.17 2.21 -0.11 0.64 1.43 -0.98 -4.87 118.68 112.84 3hgr s LEU 326 Ca -0.03 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3hgr s LEU 326 Cb 0.03 -0.15 0.01 0.00 0.03 0.00 0.00 46.19 46.11 3hgr s LEU 326 CO 0.28 -0.17 -0.16 -0.69 0.23 0.00 0.00 176.35 175.83 3hgr s VAL 327 N -1.18 1.58 -0.14 -1.59 1.01 -0.63 -1.71 120.40 117.73 3hgr s VAL 327 Ca -0.09 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 3hgr s VAL 327 Cb -0.09 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3hgr s VAL 327 CO 0.00 0.46 0.15 0.00 0.00 0.00 0.00 175.10 175.71 3hgr s ALA 328 N 0.92 3.81 -0.09 5.51 0.00 0.08 -0.06 121.76 131.92 3hgr s ALA 328 Ca -0.08 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.29 3hgr s ALA 328 Cb -0.15 -2.06 -0.00 0.00 0.00 0.00 0.00 23.12 20.91 3hgr s ALA 328 CO -0.01 0.46 -0.23 0.71 0.00 0.00 0.00 175.76 176.69 3hgr s TYR 329 N -0.56 2.56 0.00 0.00 2.02 0.88 -4.39 117.35 117.87 3hgr s TYR 329 Ca 0.13 -0.93 0.00 0.00 -0.37 0.00 0.00 57.07 55.90 3hgr s TYR 329 Cb -0.12 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 3hgr s TYR 329 CO 0.02 -0.35 0.00 0.41 -1.57 0.00 0.00 175.55 174.07 3hgr n GLY 330 N 3.39 -0.35 0.32 0.71 0.00 -1.26 -1.50 105.19 106.49 3hgr n GLY 330 Ca -0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.89 3hgr n GLY 330 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hgr h ARG 331 N 0.00 0.72 0.00 1.61 3.08 -1.97 -0.68 114.38 117.14 3hgr h ARG 331 Ca 0.00 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3hgr h ARG 331 Cb 0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3hgr h ARG 331 CO 0.00 0.48 -0.26 -0.07 -1.07 0.00 0.00 179.97 179.04 3hgr h LEU 332 N 0.74 0.00 -0.50 3.04 3.38 -1.94 -1.74 115.31 118.29 3hgr h LEU 332 Ca 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 3hgr h LEU 332 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3hgr h LEU 332 CO -0.30 0.26 -0.00 0.15 0.09 0.00 0.00 178.44 178.64 3hgr h PHE 333 N 0.00 0.00 -0.01 1.13 3.04 -1.36 0.43 116.94 120.17 3hgr h PHE 333 Ca -0.00 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 3hgr h PHE 333 Cb 0.60 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.11 3hgr h PHE 333 CO 0.00 0.00 -0.02 0.82 -2.02 0.00 0.00 178.31 177.09 3hgr h ILE 334 N 0.00 1.45 -0.00 1.41 2.04 -0.89 -3.27 117.51 118.24 3hgr h ILE 334 Ca -0.00 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.50 3hgr h ILE 334 Cb 0.83 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 3hgr h ILE 334 CO 0.00 0.36 -0.19 -1.54 0.00 0.00 0.00 178.15 176.77 3hgr n SER 335 N -4.78 0.44 -3.67 1.72 3.41 -1.14 -4.57 113.62 105.03 3hgr n SER 335 Ca -0.09 -0.32 -0.29 0.00 -0.26 0.00 0.00 58.87 57.91 3hgr n SER 335 Cb 0.30 -0.06 -0.13 0.00 -0.26 0.00 0.00 64.21 64.06 3hgr n SER 335 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3hgr s ASN 336 N -2.70 3.46 0.31 4.04 0.01 0.14 -4.47 114.94 115.74 3hgr s ASN 336 Ca 0.21 -2.75 0.06 0.00 -0.71 0.00 0.00 52.86 49.67 3hgr s ASN 336 Cb 0.19 -0.97 0.73 0.00 0.41 0.00 0.00 41.25 41.61 3hgr s ASN 336 CO 0.54 -0.24 1.81 -0.65 -1.51 0.00 0.00 177.10 177.05 3hgr h PRO 337 N 6.51 0.76 -1.53 -0.60 0.11 -1.80 -1.78 132.00 133.68 3hgr h PRO 337 Ca 0.04 -0.05 -0.71 0.00 0.11 0.00 0.00 66.00 65.39 3hgr h PRO 337 Cb 0.91 -0.17 -0.30 0.00 0.11 0.00 0.00 31.00 31.55 3hgr h PRO 337 CO 0.47 0.50 0.76 -0.40 -0.21 0.00 0.00 178.00 179.13 3hgr n ASP 338 N -4.68 7.25 -0.16 -2.05 5.75 -1.26 -4.02 116.55 117.38 3hgr n ASP 338 Ca 0.21 -3.81 -0.05 0.00 -0.01 0.00 0.00 54.79 51.14 3hgr n ASP 338 Cb 0.52 -0.95 0.04 0.00 -1.03 0.00 0.00 41.12 39.70 3hgr n ASP 338 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3hgr h LEU 339 N 2.56 0.35 -0.02 -2.12 6.46 -1.66 0.18 115.31 121.06 3hgr h LEU 339 Ca 0.55 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 58.37 3hgr h LEU 339 Cb 0.46 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 3hgr h LEU 339 CO 1.42 0.24 -0.14 -0.65 -0.62 0.00 0.00 178.44 178.69 3hgr h PRO 340 N 0.48 -0.22 -0.81 5.25 0.11 -1.87 0.52 132.00 135.45 3hgr h PRO 340 Ca 0.21 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.35 3hgr h PRO 340 Cb 0.12 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.24 3hgr h PRO 340 CO -0.15 -0.15 0.54 -0.22 -0.21 0.00 0.00 178.00 177.81 3hgr h LYS 341 N -0.23 1.05 -0.58 1.05 1.63 -1.87 -0.02 116.57 117.61 3hgr h LYS 341 Ca 0.05 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.71 3hgr h LYS 341 Cb 0.30 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 3hgr h LYS 341 CO -0.15 0.70 0.06 0.00 -3.45 0.00 0.00 179.45 176.61 3hgr h ARG 342 N 1.08 0.98 -0.57 1.90 3.08 -0.25 -2.10 114.38 118.51 3hgr h ARG 342 Ca 0.30 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3hgr h ARG 342 Cb -0.10 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3hgr h ARG 342 CO -0.08 0.95 0.17 0.74 -1.07 0.00 0.00 179.97 180.68 3hgr h PHE 343 N 0.88 0.93 -0.36 3.04 0.04 -0.43 0.10 116.94 121.14 3hgr h PHE 343 Ca 0.17 -0.10 0.04 0.00 2.80 0.00 0.00 57.97 60.88 3hgr h PHE 343 Cb 0.46 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 3hgr h PHE 343 CO 0.03 0.78 0.24 1.49 -0.60 0.00 0.00 178.31 180.26 3hgr h GLU 344 N 0.80 0.33 -0.01 1.51 4.81 -0.71 -1.44 114.58 119.88 3hgr h GLU 344 Ca 0.18 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3hgr h GLU 344 Cb 0.30 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3hgr h GLU 344 CO -0.00 0.22 -0.58 1.28 -0.73 0.00 0.00 179.01 179.20 3hgr n LEU 345 N -4.48 1.33 -3.55 1.64 4.77 -0.81 -4.85 117.00 111.03 3hgr n LEU 345 Ca 0.04 -0.48 -0.22 0.00 -0.03 0.00 0.00 56.01 55.32 3hgr n LEU 345 Cb 0.18 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.29 3hgr n LEU 345 CO 0.35 0.27 0.18 -3.20 -1.33 0.00 0.00 177.39 173.66 3hgr n ASN 346 N -0.76 -4.51 -4.91 -1.43 5.15 0.16 -4.98 115.26 103.98 3hgr n ASN 346 Ca 0.08 -0.59 -0.27 0.00 -0.60 0.00 0.00 54.58 53.20 3hgr n ASN 346 Cb 0.39 -4.99 -0.00 0.00 -0.53 0.00 0.00 39.78 34.65 3hgr n ASN 346 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hgr s ALA 347 N -3.35 3.42 0.97 5.20 0.00 -0.08 -5.03 121.76 122.89 3hgr s ALA 347 Ca 0.35 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.68 3hgr s ALA 347 Cb -0.16 -2.57 0.16 0.00 0.00 0.00 0.00 23.12 20.56 3hgr s ALA 347 CO 0.74 -0.32 1.03 -2.30 0.00 0.00 0.00 175.76 174.90 3hgr n PRO 348 N -2.21 -0.80 -5.18 0.00 -0.02 -1.26 -4.79 135.00 120.73 3hgr n PRO 348 Ca 0.00 -0.17 -0.30 0.00 -2.02 0.00 0.00 63.50 61.01 3hgr n PRO 348 Cb 0.55 -2.28 -0.16 0.00 -0.02 0.00 0.00 33.50 31.59 3hgr n PRO 348 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hgr s LEU 349 N -6.07 2.04 0.26 2.45 1.43 -1.26 -5.01 118.68 112.52 3hgr s LEU 349 Ca 0.66 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 53.00 3hgr s LEU 349 Cb -0.23 -1.26 -0.10 0.00 0.03 0.00 0.00 46.19 44.62 3hgr s LEU 349 CO 0.60 0.26 1.49 0.20 0.23 0.00 0.00 176.35 179.13 3hgr s ASN 350 N -0.32 6.58 0.26 2.29 0.01 -1.26 -4.97 114.94 117.52 3hgr s ASN 350 Ca 0.02 2.74 -0.29 0.00 -0.71 0.00 0.00 52.86 54.62 3hgr s ASN 350 Cb -0.11 -2.62 -0.09 0.00 0.41 0.00 0.00 41.25 38.83 3hgr s ASN 350 CO 0.01 -0.76 0.97 -1.59 -1.51 0.00 0.00 177.10 174.22 3hgr s LYS 351 N -0.34 4.78 0.15 -0.60 -2.85 -1.26 -4.67 119.74 114.96 3hgr s LYS 351 Ca 0.61 1.54 -0.07 0.00 -1.00 0.00 0.00 55.97 57.05 3hgr s LYS 351 Cb -0.43 -3.21 -0.06 0.00 -2.06 0.00 0.00 37.83 32.06 3hgr s LYS 351 CO 0.44 0.43 0.43 1.52 0.10 0.00 0.00 175.35 178.27 3hgr s TYR 352 N -1.22 3.48 -0.37 1.78 -0.85 -1.26 -4.87 117.35 114.04 3hgr s TYR 352 Ca 0.43 0.69 -0.06 0.00 -0.52 0.00 0.00 57.07 57.60 3hgr s TYR 352 Cb -0.26 -2.10 0.06 0.00 0.38 0.00 0.00 41.96 40.03 3hgr s TYR 352 CO 0.33 0.40 0.15 1.21 -1.52 0.00 0.00 175.55 176.13 3hgr s ASN 353 N -2.29 5.36 0.54 -0.18 2.47 -1.26 -4.94 114.94 114.64 3hgr s ASN 353 Ca 0.41 -1.36 0.28 0.00 0.42 0.00 0.00 52.86 52.61 3hgr s ASN 353 Cb -0.12 -1.88 1.54 0.00 -1.45 0.00 0.00 41.25 39.34 3hgr s ASN 353 CO 0.22 -0.41 2.12 0.08 -3.72 0.00 0.00 177.10 175.40 3hgr h ARG 354 N 8.23 0.00 -0.28 0.43 0.11 -2.01 -2.40 114.38 118.47 3hgr h ARG 354 Ca -0.22 0.00 0.08 0.00 0.10 0.00 0.00 59.98 59.94 3hgr h ARG 354 Cb 1.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.15 3hgr h ARG 354 CO 0.65 0.09 0.31 -0.44 0.10 0.00 0.00 179.97 180.68 3hgr h ASP 355 N 0.00 0.00 0.00 0.08 3.32 -1.95 -1.45 116.42 116.42 3hgr h ASP 355 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3hgr h ASP 355 Cb 0.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3hgr h ASP 355 CO 0.01 0.00 -0.44 0.35 -1.72 0.00 0.00 179.24 177.44 3hgr n THR 356 N -3.74 2.02 -0.11 0.35 -2.24 -0.90 -4.61 114.28 105.04 3hgr n THR 356 Ca 0.04 -2.93 -0.13 0.00 -2.27 0.00 0.00 64.05 58.76 3hgr n THR 356 Cb 0.45 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 3hgr n THR 356 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3hgr h PHE 357 N 0.81 1.08 -0.09 4.78 0.04 -1.32 -3.34 116.94 118.90 3hgr h PHE 357 Ca -0.01 -0.33 0.00 0.00 2.80 0.00 0.00 57.97 60.43 3hgr h PHE 357 Cb 1.05 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.97 3hgr h PHE 357 CO 0.59 1.15 0.00 0.66 -0.60 0.00 0.00 178.31 180.11 3hgr n TYR 358 N -4.09 0.11 -0.99 -0.55 4.01 -1.26 -4.54 117.16 109.85 3hgr n TYR 358 Ca -0.03 -0.12 -0.29 0.00 -0.16 0.00 0.00 57.90 57.30 3hgr n TYR 358 Cb 0.54 -0.01 0.17 0.00 -0.31 0.00 0.00 39.34 39.74 3hgr n TYR 358 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3hgr s THR 359 N -0.90 2.38 -1.70 -0.72 -4.23 -1.25 -4.71 115.64 104.50 3hgr s THR 359 Ca 0.14 0.12 0.21 0.00 -1.18 0.00 0.00 61.69 60.98 3hgr s THR 359 Cb 0.09 -2.45 0.62 0.00 1.34 0.00 0.00 72.50 72.10 3hgr s THR 359 CO 0.13 -0.16 1.52 -1.54 -0.54 0.00 0.00 174.62 174.04 3hgr n SER 360 N -4.19 3.97 -4.77 3.99 3.41 -1.26 -4.69 113.62 110.08 3hgr n SER 360 Ca 0.07 -2.08 -0.39 0.00 -0.26 0.00 0.00 58.87 56.21 3hgr n SER 360 Cb 0.55 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 3hgr n SER 360 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hgr s ASP 361 N -1.00 6.94 0.61 4.04 2.15 -1.26 -4.91 116.67 123.24 3hgr s ASP 361 Ca 0.46 2.31 0.39 0.00 0.43 0.00 0.00 52.55 56.14 3hgr s ASP 361 Cb 0.25 -2.62 1.89 0.00 -0.30 0.00 0.00 42.92 42.15 3hgr s ASP 361 CO 0.30 -0.38 2.18 -0.65 -0.17 0.00 0.00 175.17 176.44 3hgr h PRO 362 N 3.25 0.00 0.00 4.34 0.11 -1.95 -3.40 132.00 134.35 3hgr h PRO 362 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hgr h PRO 362 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hgr h PRO 362 CO 0.65 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.55 3hgr n ILE 363 N -3.10 0.08 -1.57 4.15 5.41 -1.26 -4.54 119.36 118.53 3hgr n ILE 363 Ca -0.01 0.03 -0.60 0.00 1.00 0.00 0.00 62.75 63.16 3hgr n ILE 363 Cb 0.19 -0.90 -0.09 0.00 -0.71 0.00 0.00 39.64 38.12 3hgr n ILE 363 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3hgr n VAL 364 N -2.57 0.12 -0.97 1.39 0.31 -1.26 0.10 118.33 115.44 3hgr n VAL 364 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3hgr n VAL 364 Cb 0.00 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 3hgr n VAL 364 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hgr n GLY 365 N 5.34 0.68 0.94 2.92 0.00 -1.26 -4.66 105.19 109.14 3hgr n GLY 365 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3hgr n GLY 365 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3hgr n TYR 366 N -2.41 0.00 -0.32 1.61 9.36 0.28 -4.78 117.16 120.90 3hgr n TYR 366 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3hgr n TYR 366 Cb 0.03 0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.75 3hgr n TYR 366 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 3hgr n THR 367 N -2.93 0.00 0.08 2.97 -2.24 -0.08 -4.76 114.28 107.32 3hgr n THR 367 Ca 0.00 -0.32 0.01 0.00 -2.27 0.00 0.00 64.05 61.47 3hgr n THR 367 Cb 0.48 1.32 0.17 0.00 -2.10 0.00 0.00 70.33 70.20 3hgr n THR 367 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hgr n ASP 368 N -0.08 3.26 -4.62 3.42 5.75 -1.20 -4.78 116.55 118.30 3hgr n ASP 368 Ca 0.00 -2.50 -0.39 0.00 -0.01 0.00 0.00 54.79 51.89 3hgr n ASP 368 Cb 0.08 -0.60 -0.08 0.00 -1.03 0.00 0.00 41.12 39.49 3hgr n ASP 368 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3hgr s TYR 369 N -1.78 3.28 0.70 2.11 2.02 -1.26 -4.91 117.35 117.51 3hgr s TYR 369 Ca 0.26 0.55 -0.13 0.00 -0.37 0.00 0.00 57.07 57.38 3hgr s TYR 369 Cb 0.20 -2.64 0.02 0.00 -0.40 0.00 0.00 41.96 39.14 3hgr s TYR 369 CO 0.07 -0.22 1.10 -1.25 -1.57 0.00 0.00 175.55 173.68 3hgr s PRO 370 N 2.08 2.60 0.61 -1.71 0.04 -1.26 -4.69 135.00 132.66 3hgr s PRO 370 Ca 0.19 1.28 0.03 0.00 0.04 0.00 0.00 61.00 62.54 3hgr s PRO 370 Cb -0.16 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.53 3hgr s PRO 370 CO 0.09 -1.39 0.84 -0.06 0.04 0.00 0.00 177.00 176.52 3hgr s PHE 371 N -2.60 2.04 0.31 0.56 0.40 -1.26 -4.55 117.98 112.89 3hgr s PHE 371 Ca 0.64 -0.32 -0.29 0.00 -0.60 0.00 0.00 56.93 56.36 3hgr s PHE 371 Cb -0.19 -2.68 -0.12 0.00 0.51 0.00 0.00 43.02 40.54 3hgr s PHE 371 CO 0.48 -1.21 1.43 1.28 0.70 0.00 0.00 175.22 177.90 3hgr n LEU 372 N -2.45 3.89 0.00 -0.37 4.77 -1.26 -5.10 117.00 116.47 3hgr n LEU 372 Ca 0.12 1.18 0.06 0.00 -0.03 0.00 0.00 56.01 57.34 3hgr n LEU 372 Cb 0.60 -1.52 0.33 0.00 -2.33 0.00 0.00 43.42 40.50 3hgr n LEU 372 CO 0.42 -0.21 0.55 -1.84 -1.33 0.00 0.00 177.39 174.99