#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrd s LYS 2 N 0.00 3.19 0.20 3.17 2.20 -1.26 -4.99 119.74 122.25 3hrd s LYS 2 Ca 0.00 2.06 -0.30 0.00 -0.36 0.00 0.00 55.97 57.37 3hrd s LYS 2 Cb 0.00 -2.20 -0.08 0.00 -1.51 0.00 0.00 37.83 34.04 3hrd s LYS 2 CO 0.00 -1.09 0.98 -0.51 -0.36 0.00 0.00 175.35 174.37 3hrd s ASP 3 N -1.17 7.52 -0.00 1.43 1.11 -1.26 -5.05 116.67 119.25 3hrd s ASP 3 Ca 0.72 1.95 -0.28 0.00 0.18 0.00 0.00 52.55 55.12 3hrd s ASP 3 Cb -0.36 -2.60 0.08 0.00 1.07 0.00 0.00 42.92 41.11 3hrd s ASP 3 CO 0.42 0.02 0.74 0.72 1.18 0.00 0.00 175.17 178.25 3hrd s PHE 4 N -0.70 -0.53 -0.06 4.23 -0.12 -1.26 -4.69 117.98 114.85 3hrd s PHE 4 Ca 0.44 0.68 -0.29 0.00 -0.05 0.00 0.00 56.93 57.71 3hrd s PHE 4 Cb -0.26 0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 42.59 3hrd s PHE 4 CO 0.33 -0.62 0.98 -2.00 -0.05 0.00 0.00 175.22 173.86 3hrd s GLU 5 N -2.18 4.48 -0.30 1.99 2.56 0.03 -4.91 118.70 120.37 3hrd s GLU 5 Ca -0.04 1.38 -0.08 0.00 0.00 0.00 0.00 54.97 56.23 3hrd s GLU 5 Cb -0.01 -3.50 0.00 0.00 2.00 0.00 0.00 34.13 32.62 3hrd s GLU 5 CO -0.01 -0.18 0.11 0.12 -0.56 0.00 0.00 175.26 174.74 3hrd s PHE 6 N 1.51 3.16 0.04 5.30 5.36 -1.26 -0.99 117.98 131.11 3hrd s PHE 6 Ca 0.49 -0.78 0.06 0.00 -0.96 0.00 0.00 56.93 55.75 3hrd s PHE 6 Cb -0.19 -2.30 -0.03 0.00 -0.34 0.00 0.00 43.02 40.15 3hrd s PHE 6 CO 0.22 -0.51 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.26 3hrd s PHE 7 N 1.55 2.64 -0.37 10.12 0.40 -0.42 -5.01 117.98 126.89 3hrd s PHE 7 Ca 0.04 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.18 3hrd s PHE 7 Cb -0.17 -1.48 0.15 0.00 0.51 0.00 0.00 43.02 42.03 3hrd s PHE 7 CO 0.04 0.30 0.28 0.00 0.70 0.00 0.00 175.22 176.54 3hrd s ALA 8 N -0.98 0.89 0.57 5.36 0.00 -1.26 0.14 121.76 126.48 3hrd s ALA 8 Ca 0.16 -1.94 -0.19 0.00 0.00 0.00 0.00 51.96 49.99 3hrd s ALA 8 Cb -0.11 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 3hrd s ALA 8 CO 0.07 -2.07 1.15 -1.25 0.00 0.00 0.00 175.76 173.66 3hrd s PRO 9 N 0.77 3.19 -0.20 0.00 0.04 -1.23 -4.98 135.00 132.60 3hrd s PRO 9 Ca 0.23 1.65 -0.20 0.00 0.04 0.00 0.00 61.00 62.73 3hrd s PRO 9 Cb -0.13 -1.98 -0.20 0.00 0.04 0.00 0.00 34.50 32.23 3hrd s PRO 9 CO -0.06 -0.99 0.24 0.87 0.04 0.00 0.00 177.00 177.10 3hrd h LYS 10 N 1.01 0.04 -5.99 4.56 1.57 -1.92 -3.42 116.57 112.41 3hrd h LYS 10 Ca -0.50 -0.06 -0.58 0.00 -1.87 0.00 0.00 60.65 57.63 3hrd h LYS 10 Cb 1.27 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.57 3hrd h LYS 10 CO 0.56 1.03 -0.49 0.95 -0.57 0.00 0.00 179.45 180.93 3hrd s THR 11 N -2.39 5.29 0.40 -0.16 -4.23 -1.26 -4.33 115.64 108.96 3hrd s THR 11 Ca -0.28 -0.56 0.11 0.00 -1.18 0.00 0.00 61.69 59.78 3hrd s THR 11 Cb 0.06 -3.65 0.16 0.00 1.34 0.00 0.00 72.50 70.42 3hrd s THR 11 CO 0.62 0.03 1.93 0.25 -0.54 0.00 0.00 174.62 176.91 3hrd h LEU 12 N 2.65 0.15 -1.65 4.79 6.46 -1.98 0.34 115.31 126.07 3hrd h LEU 12 Ca -0.47 -0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.23 3hrd h LEU 12 Cb 1.18 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 3hrd h LEU 12 CO 0.72 0.32 -0.18 -0.08 -0.62 0.00 0.00 178.44 178.60 3hrd h GLU 13 N 0.15 0.00 0.03 1.25 4.57 -2.01 -2.53 114.58 116.04 3hrd h GLU 13 Ca 0.03 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.91 3hrd h GLU 13 Cb 0.37 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 3hrd h GLU 13 CO 0.02 0.18 -1.70 1.49 -1.18 0.00 0.00 179.01 177.82 3hrd h GLU 14 N 0.00 0.07 0.19 1.92 4.81 -1.40 -3.37 114.58 116.80 3hrd h GLU 14 Ca -0.00 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3hrd h GLU 14 Cb 0.47 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3hrd h GLU 14 CO 0.02 0.71 -0.09 0.00 -0.73 0.00 0.00 179.01 178.93 3hrd h ALA 15 N 0.78 -0.25 -1.07 2.92 0.00 -0.69 -2.72 119.26 118.22 3hrd h ALA 15 Ca -0.29 -0.09 0.29 0.00 0.00 0.00 0.00 54.91 54.82 3hrd h ALA 15 Cb 2.00 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 19.80 3hrd h ALA 15 CO 0.09 -0.60 0.69 0.87 0.00 0.00 0.00 179.25 180.30 3hrd h LYS 16 N -0.33 0.33 0.08 0.00 1.57 -1.63 0.63 116.57 117.22 3hrd h LYS 16 Ca -0.03 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hrd h LYS 16 Cb 0.25 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3hrd h LYS 16 CO 0.04 0.22 -0.06 0.78 -0.57 0.00 0.00 179.45 179.86 3hrd h GLY 17 N 0.34 -0.14 1.01 3.86 0.00 -1.64 -0.04 103.07 106.47 3hrd h GLY 17 Ca 0.61 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 48.00 3hrd h GLY 17 CO -0.30 -0.06 0.45 1.41 0.00 0.00 0.00 176.54 178.04 3hrd h LEU 18 N -0.15 0.97 0.07 3.11 3.38 -0.92 0.68 115.31 122.46 3hrd h LEU 18 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3hrd h LEU 18 Cb 0.13 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3hrd h LEU 18 CO -0.00 0.77 -0.06 -0.07 0.09 0.00 0.00 178.44 179.18 3hrd h LEU 19 N 1.09 -0.15 -0.20 1.67 3.38 -0.97 0.17 115.31 120.31 3hrd h LEU 19 Ca 0.28 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.15 3hrd h LEU 19 Cb 0.00 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3hrd h LEU 19 CO -0.05 -0.09 -0.31 -0.74 0.09 0.00 0.00 178.44 177.34 3hrd h HIS 20 N -0.13 0.69 -0.52 1.13 2.76 -0.76 -1.58 115.15 116.73 3hrd h HIS 20 Ca 0.00 -0.23 0.08 0.00 -2.20 0.00 0.00 60.37 58.02 3hrd h HIS 20 Cb 0.12 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 28.89 3hrd h HIS 20 CO -0.09 0.95 0.16 0.37 -1.30 0.00 0.00 177.93 178.02 3hrd h GLN 21 N 0.22 0.31 -0.95 5.26 4.15 0.46 -1.65 115.11 122.91 3hrd h GLN 21 Ca 0.02 -0.02 -0.65 0.00 0.77 0.00 0.00 58.65 58.77 3hrd h GLN 21 Cb 0.89 -0.07 -0.32 0.00 0.21 0.00 0.00 27.48 28.19 3hrd h GLN 21 CO 0.07 0.20 0.51 0.66 -1.93 0.00 0.00 178.83 178.34 3hrd n TYR 22 N -5.05 3.13 0.35 3.99 4.01 0.04 -4.67 117.16 118.96 3hrd n TYR 22 Ca 0.06 -2.86 0.14 0.00 -0.16 0.00 0.00 57.90 55.09 3hrd n TYR 22 Cb 0.23 -1.21 0.52 0.00 -0.31 0.00 0.00 39.34 38.57 3hrd n TYR 22 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3hrd h LYS 23 N 2.05 0.00 -0.01 -0.72 3.64 -0.27 -2.95 116.57 118.31 3hrd h LYS 23 Ca 0.56 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 3hrd h LYS 23 Cb 0.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3hrd h LYS 23 CO 1.41 0.00 -0.54 -0.25 -2.27 0.00 0.00 179.45 177.80 3hrd n ASP 24 N -2.71 1.17 -0.11 4.20 8.00 -1.26 -4.64 116.55 121.19 3hrd n ASP 24 Ca 0.02 -1.08 -0.09 0.00 0.71 0.00 0.00 54.79 54.35 3hrd n ASP 24 Cb 0.33 0.75 -0.01 0.00 -0.02 0.00 0.00 41.12 42.16 3hrd n ASP 24 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3hrd h VAL 25 N 0.87 1.11 -5.38 2.53 3.04 -1.93 -3.47 116.25 113.01 3hrd h VAL 25 Ca 0.00 -0.23 -0.40 0.00 -1.01 0.00 0.00 66.70 65.05 3hrd h VAL 25 Cb 0.46 0.61 0.07 0.00 -2.01 0.00 0.00 31.29 30.41 3hrd h VAL 25 CO 0.00 0.11 0.08 -0.81 -1.01 0.00 0.00 177.57 175.94 3hrd n PRO 26 N -4.81 0.08 -2.57 4.17 -0.04 -1.26 -4.97 135.00 125.59 3hrd n PRO 26 Ca -0.00 -2.41 -0.25 0.00 -0.04 0.00 0.00 63.50 60.80 3hrd n PRO 26 Cb 0.04 -0.53 0.03 0.00 -0.04 0.00 0.00 33.50 33.00 3hrd n PRO 26 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3hrd s PRO 27 N -4.69 2.81 -0.20 0.54 0.04 -1.12 -4.54 135.00 127.85 3hrd s PRO 27 Ca 0.57 -0.29 -0.03 0.00 0.04 0.00 0.00 61.00 61.29 3hrd s PRO 27 Cb -0.03 -2.37 0.06 0.00 0.04 0.00 0.00 34.50 32.20 3hrd s PRO 27 CO 0.38 -0.65 0.05 0.00 0.04 0.00 0.00 177.00 176.82 3hrd s ALA 28 N -2.87 0.92 0.42 8.56 0.00 -0.57 -5.03 121.76 123.20 3hrd s ALA 28 Ca 0.54 -0.70 -0.22 0.00 0.00 0.00 0.00 51.96 51.57 3hrd s ALA 28 Cb -0.10 -1.19 -0.10 0.00 0.00 0.00 0.00 23.12 21.73 3hrd s ALA 28 CO 0.42 -1.22 0.99 0.42 0.00 0.00 0.00 175.76 176.37 3hrd s ILE 29 N 1.90 4.06 -0.07 0.00 1.01 -1.26 -0.80 121.20 126.04 3hrd s ILE 29 Ca 0.00 1.41 -0.01 0.00 0.00 0.00 0.00 60.65 62.06 3hrd s ILE 29 Cb -0.17 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.68 3hrd s ILE 29 CO -0.10 -0.15 -0.02 -0.51 0.00 0.00 0.00 174.94 174.16 3hrd s ILE 30 N -1.92 0.50 0.00 2.92 2.07 0.78 -4.81 121.20 120.74 3hrd s ILE 30 Ca 0.60 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.86 3hrd s ILE 30 Cb -0.15 -0.61 0.00 0.00 0.13 0.00 0.00 42.46 41.83 3hrd s ILE 30 CO 0.20 0.27 0.00 0.00 -1.91 0.00 0.00 174.94 173.49 3hrd n ALA 31 N 4.88 0.39 0.07 1.50 0.00 -1.26 -1.94 120.51 124.14 3hrd n ALA 31 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 3hrd n ALA 31 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 3hrd n ALA 31 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hrd h GLY 32 N 0.00 0.53 0.00 0.00 0.00 -1.95 -3.43 103.07 98.21 3hrd h GLY 32 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 46.38 3hrd h GLY 32 CO 0.00 0.84 0.00 0.61 0.00 0.00 0.00 176.54 177.99 3hrd n GLY 33 N 1.03 2.42 0.00 4.60 0.00 -1.26 -4.83 105.19 107.15 3hrd n GLY 33 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3hrd n GLY 33 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hrd n THR 34 N -2.00 0.00 0.00 2.61 -2.24 -1.26 -1.41 114.28 109.98 3hrd n THR 34 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3hrd n THR 34 Cb 0.00 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 3hrd n THR 34 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hrd n ASP 35 N -0.59 0.03 -0.04 3.42 -0.08 -1.26 -4.84 116.55 113.20 3hrd n ASP 35 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.16 3hrd n ASP 35 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 3hrd n ASP 35 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3hrd h LEU 36 N 0.00 -0.03 -0.84 -2.67 5.85 -1.90 -2.51 115.31 113.22 3hrd h LEU 36 Ca 0.00 -0.72 0.17 0.00 0.84 0.00 0.00 57.88 58.17 3hrd h LEU 36 Cb 0.01 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 40.94 3hrd h LEU 36 CO 0.00 0.74 0.39 0.58 -0.34 0.00 0.00 178.44 179.81 3hrd h VAL 37 N -0.84 0.64 -0.22 1.05 2.07 -1.59 0.16 116.25 117.52 3hrd h VAL 37 Ca -0.00 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3hrd h VAL 37 Cb 0.74 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3hrd h VAL 37 CO 0.00 0.09 -0.08 0.40 0.02 0.00 0.00 177.57 178.01 3hrd h ILE 38 N 0.51 1.29 -0.01 4.57 2.04 -1.70 0.02 117.51 124.24 3hrd h ILE 38 Ca 0.48 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3hrd h ILE 38 Cb 0.76 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 3hrd h ILE 38 CO -0.42 0.34 0.01 -0.33 0.00 0.00 0.00 178.15 177.75 3hrd h GLU 39 N 0.17 0.00 0.12 2.37 5.08 -0.67 -0.01 114.58 121.64 3hrd h GLU 39 Ca 0.05 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 3hrd h GLU 39 Cb 0.55 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.82 3hrd h GLU 39 CO 0.03 0.00 -0.78 0.82 -1.00 0.00 0.00 179.01 178.07 3hrd h ILE 40 N 0.00 1.49 0.00 3.13 2.04 -0.49 0.66 117.51 124.33 3hrd h ILE 40 Ca 0.01 -2.49 -0.00 0.00 1.00 0.00 0.00 64.86 63.37 3hrd h ILE 40 Cb 0.03 3.16 -0.00 0.00 -0.74 0.00 0.00 36.82 39.27 3hrd h ILE 40 CO -0.00 0.69 -0.01 -1.13 0.00 0.00 0.00 178.15 177.70 3hrd h ASN 41 N -0.46 0.00 -0.52 1.72 -0.73 -0.34 0.23 115.58 115.49 3hrd h ASN 41 Ca -0.15 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.02 3hrd h ASN 41 Cb 1.57 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.16 3hrd h ASN 41 CO 0.11 0.01 0.00 0.47 -0.37 0.00 0.00 177.43 177.66 3hrd n ASP 42 N -4.38 3.12 -3.77 1.15 8.00 -0.08 -4.96 116.55 115.63 3hrd n ASP 42 Ca -0.03 -1.97 -0.22 0.00 0.71 0.00 0.00 54.79 53.28 3hrd n ASP 42 Cb 0.10 -0.34 0.02 0.00 -0.02 0.00 0.00 41.12 40.88 3hrd n ASP 42 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hrd n ARG 43 N 1.22 -4.49 -0.07 -1.24 1.74 0.81 -4.89 116.66 109.74 3hrd n ARG 43 Ca 0.20 0.56 -0.11 0.00 -0.77 0.00 0.00 57.85 57.73 3hrd n ARG 43 Cb 0.51 -5.01 -0.15 0.00 -1.02 0.00 0.00 32.46 26.79 3hrd n ARG 43 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3hrd n TRP 44 N -4.31 0.40 -4.48 -1.55 8.01 0.23 -4.86 117.44 110.87 3hrd n TRP 44 Ca -0.30 0.13 -0.27 0.00 -1.31 0.00 0.00 57.50 55.76 3hrd n TRP 44 Cb 0.68 -1.07 -0.17 0.00 -2.01 0.00 0.00 31.31 28.74 3hrd n TRP 44 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 3hrd s GLU 45 N -2.53 1.94 -0.77 -0.99 0.41 -1.03 -5.02 118.70 110.70 3hrd s GLU 45 Ca -0.11 -0.47 0.03 0.00 -0.41 0.00 0.00 54.97 54.01 3hrd s GLU 45 Cb 0.07 -1.65 0.25 0.00 -1.78 0.00 0.00 34.13 31.02 3hrd s GLU 45 CO 0.81 -0.04 0.90 1.63 -0.49 0.00 0.00 175.26 178.07 3hrd n LYS 46 N 4.10 2.94 -2.14 1.61 5.02 -1.26 -4.42 118.16 124.01 3hrd n LYS 46 Ca -0.20 -4.62 -0.40 0.00 -2.02 0.00 0.00 58.31 51.07 3hrd n LYS 46 Cb 0.51 -2.33 -0.02 0.00 -0.02 0.00 0.00 35.03 33.17 3hrd n LYS 46 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3hrd s PRO 47 N -2.38 4.23 -0.01 1.97 0.04 -1.26 -4.95 135.00 132.64 3hrd s PRO 47 Ca 0.36 2.13 0.20 0.00 0.04 0.00 0.00 61.00 63.72 3hrd s PRO 47 Cb 0.09 -2.94 -0.21 0.00 0.04 0.00 0.00 34.50 31.47 3hrd s PRO 47 CO -0.01 -0.26 0.57 -0.25 0.04 0.00 0.00 177.00 177.08 3hrd n ASP 48 N 0.55 0.37 -3.77 6.66 8.00 -1.26 -4.58 116.55 122.52 3hrd n ASP 48 Ca 0.01 0.16 -0.14 0.00 0.71 0.00 0.00 54.79 55.53 3hrd n ASP 48 Cb 0.43 1.02 -0.15 0.00 -0.02 0.00 0.00 41.12 42.40 3hrd n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hrd s VAL 49 N -3.09 -0.04 0.05 2.53 1.01 -1.26 -0.79 120.40 118.80 3hrd s VAL 49 Ca -0.06 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.16 3hrd s VAL 49 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.29 3hrd s VAL 49 CO 0.85 0.07 -0.24 0.68 0.00 0.00 0.00 175.10 176.46 3hrd s VAL 50 N 0.93 1.91 -0.22 2.92 -7.23 -0.16 -1.51 120.40 117.04 3hrd s VAL 50 Ca -0.07 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 58.79 3hrd s VAL 50 Cb -0.10 -1.65 0.05 0.00 0.56 0.00 0.00 36.38 35.24 3hrd s VAL 50 CO -0.04 0.27 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.29 3hrd s ILE 51 N -0.82 1.76 -0.11 -0.62 1.01 0.02 -1.30 121.20 121.14 3hrd s ILE 51 Ca 0.10 -1.20 -0.26 0.00 0.00 0.00 0.00 60.65 59.29 3hrd s ILE 51 Cb -0.09 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 3hrd s ILE 51 CO 0.02 0.08 0.82 -0.62 0.00 0.00 0.00 174.94 175.25 3hrd s ASP 52 N 1.32 7.04 0.00 3.58 2.15 0.37 -0.16 116.67 130.98 3hrd s ASP 52 Ca -0.04 1.27 0.08 0.00 0.43 0.00 0.00 52.55 54.28 3hrd s ASP 52 Cb -0.17 -2.46 0.07 0.00 -0.30 0.00 0.00 42.92 40.05 3hrd s ASP 52 CO -0.07 -0.30 0.77 2.30 -0.17 0.00 0.00 175.17 177.70 3hrd n ILE 53 N 4.33 0.06 0.07 4.11 -5.35 -0.82 -3.51 119.36 118.25 3hrd n ILE 53 Ca 0.03 -0.53 0.04 0.00 -0.27 0.00 0.00 62.75 62.02 3hrd n ILE 53 Cb 0.50 1.12 0.21 0.00 -1.74 0.00 0.00 39.64 39.73 3hrd n ILE 53 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hrd n LYS 54 N 0.42 0.05 0.04 6.28 4.76 -1.26 -0.21 118.16 128.25 3hrd n LYS 54 Ca 0.05 0.49 0.13 0.00 -2.87 0.00 0.00 58.31 56.11 3hrd n LYS 54 Cb 0.20 -1.78 0.38 0.00 -1.84 0.00 0.00 35.03 32.00 3hrd n LYS 54 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3hrd n LYS 55 N -1.73 0.14 -2.15 1.97 5.02 -1.26 -4.53 118.16 115.62 3hrd n LYS 55 Ca -0.01 0.08 -0.40 0.00 -2.02 0.00 0.00 58.31 55.97 3hrd n LYS 55 Cb 0.12 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.48 3hrd n LYS 55 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hrd n LEU 56 N -1.86 4.82 0.11 -0.35 4.77 0.71 -4.74 117.00 120.45 3hrd n LEU 56 Ca 0.05 -3.69 0.11 0.00 -0.03 0.00 0.00 56.01 52.46 3hrd n LEU 56 Cb 0.39 -1.66 0.46 0.00 -2.33 0.00 0.00 43.42 40.27 3hrd n LEU 56 CO 0.32 -0.16 0.84 0.29 -1.33 0.00 0.00 177.39 177.35 3hrd n LYS 57 N 7.77 0.17 -0.03 3.23 4.76 -1.26 -2.24 118.16 130.56 3hrd n LYS 57 Ca 0.49 0.37 0.01 0.00 -2.87 0.00 0.00 58.31 56.31 3hrd n LYS 57 Cb 0.44 -1.80 0.02 0.00 -1.84 0.00 0.00 35.03 31.85 3hrd n LYS 57 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3hrd n GLU 58 N -2.12 1.15 -0.01 1.97 0.00 -1.26 -2.80 120.64 117.57 3hrd n GLU 58 Ca 0.03 -0.19 0.02 0.00 0.00 0.00 0.00 57.16 57.02 3hrd n GLU 58 Cb 0.24 -1.13 0.02 0.00 0.00 0.00 0.00 31.44 30.57 3hrd n GLU 58 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3hrd n LEU 59 N -0.28 1.48 -4.23 -1.84 4.32 -0.95 -4.87 117.00 110.64 3hrd n LEU 59 Ca 0.02 -1.12 -0.42 0.00 -0.02 0.00 0.00 56.01 54.47 3hrd n LEU 59 Cb 0.09 -0.01 -0.07 0.00 -1.62 0.00 0.00 43.42 41.81 3hrd n LEU 59 CO 0.01 0.33 0.11 -1.61 -1.22 0.00 0.00 177.39 175.01 3hrd s GLU 60 N -0.44 2.81 -0.05 3.23 2.02 -1.12 -2.83 118.70 122.32 3hrd s GLU 60 Ca 0.06 -2.07 -0.29 0.00 0.02 0.00 0.00 54.97 52.69 3hrd s GLU 60 Cb 0.04 -4.05 0.10 0.00 0.10 0.00 0.00 34.13 30.32 3hrd s GLU 60 CO 0.05 -1.23 0.82 1.52 0.02 0.00 0.00 175.26 176.45 3hrd s TYR 61 N 0.84 -0.47 -0.45 1.61 1.13 -1.26 -4.94 117.35 113.80 3hrd s TYR 61 Ca 0.10 0.64 0.04 0.00 -1.41 0.00 0.00 57.07 56.44 3hrd s TYR 61 Cb -0.22 0.47 0.16 0.00 -1.10 0.00 0.00 41.96 41.28 3hrd s TYR 61 CO -0.03 -0.54 0.34 0.42 -2.51 0.00 0.00 175.55 173.24 3hrd s ILE 62 N -1.95 0.78 0.11 -3.49 1.01 -1.26 0.44 121.20 116.85 3hrd s ILE 62 Ca -0.03 -2.79 -0.29 0.00 0.00 0.00 0.00 60.65 57.55 3hrd s ILE 62 Cb -0.01 -1.54 -0.06 0.00 0.01 0.00 0.00 42.46 40.86 3hrd s ILE 62 CO -0.00 -1.15 0.91 -0.13 0.00 0.00 0.00 174.94 174.57 3hrd s ARG 63 N -0.04 4.67 -0.90 2.79 0.52 0.27 -4.92 118.95 121.33 3hrd s ARG 63 Ca 0.29 1.37 -0.08 0.00 -0.52 0.00 0.00 55.73 56.79 3hrd s ARG 63 Cb -0.03 -3.36 0.23 0.00 0.52 0.00 0.00 34.95 32.31 3hrd s ARG 63 CO -0.16 0.26 0.83 0.08 0.02 0.00 0.00 175.30 176.33 3hrd s VAL 64 N -0.14 5.14 0.58 3.52 1.01 -1.26 -1.00 120.40 128.25 3hrd s VAL 64 Ca 0.44 -3.18 -0.15 0.00 0.00 0.00 0.00 61.98 59.10 3hrd s VAL 64 Cb -0.23 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 3hrd s VAL 64 CO 0.29 -1.07 1.03 -1.61 0.00 0.00 0.00 175.10 173.73 3hrd s GLU 65 N -0.68 3.55 0.07 2.72 0.41 0.02 -4.93 118.70 119.86 3hrd s GLU 65 Ca 0.24 1.01 -0.05 0.00 -0.41 0.00 0.00 54.97 55.76 3hrd s GLU 65 Cb -0.11 -2.07 0.08 0.00 -1.78 0.00 0.00 34.13 30.25 3hrd s GLU 65 CO -0.09 -0.61 0.47 -1.91 -0.49 0.00 0.00 175.26 172.64 3hrd n GLU 66 N -2.12 -0.07 -0.00 1.61 2.13 -1.26 -2.88 120.64 118.06 3hrd n GLU 66 Ca 0.07 0.47 -0.00 0.00 0.66 0.00 0.00 57.16 58.36 3hrd n GLU 66 Cb 0.54 -0.70 -0.00 0.00 0.27 0.00 0.00 31.44 31.54 3hrd n GLU 66 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3hrd n ASN 67 N -4.46 4.72 -4.63 4.31 3.02 -1.26 -4.94 115.26 112.02 3hrd n ASN 67 Ca 0.03 -0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.35 3hrd n ASN 67 Cb 0.13 0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 39.64 3hrd n ASN 67 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hrd s THR 68 N -2.01 3.38 -0.21 3.41 -4.23 -1.14 0.20 115.64 115.03 3hrd s THR 68 Ca -0.00 -1.92 -0.02 0.00 -1.18 0.00 0.00 61.69 58.56 3hrd s THR 68 Cb 0.00 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 71.05 3hrd s THR 68 CO 0.02 -0.36 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.02 3hrd s ILE 69 N -2.29 2.87 -0.23 2.99 1.01 0.32 -0.80 121.20 125.08 3hrd s ILE 69 Ca 0.31 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 60.14 3hrd s ILE 69 Cb -0.06 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 3hrd s ILE 69 CO 0.19 0.42 0.12 -1.00 0.00 0.00 0.00 174.94 174.67 3hrd s HIS 70 N 1.39 3.25 -0.13 3.97 3.76 -0.17 -2.40 115.29 124.96 3hrd s HIS 70 Ca 0.05 0.07 0.03 0.00 -0.15 0.00 0.00 55.06 55.05 3hrd s HIS 70 Cb -0.14 -2.21 0.01 0.00 1.11 0.00 0.00 32.58 31.34 3hrd s HIS 70 CO -0.07 0.01 -0.22 0.42 -0.85 0.00 0.00 174.74 174.03 3hrd s ILE 71 N 0.98 2.04 0.49 0.60 1.01 -0.26 -0.57 121.20 125.50 3hrd s ILE 71 Ca 0.06 -0.98 -0.24 0.00 0.00 0.00 0.00 60.65 59.49 3hrd s ILE 71 Cb -0.14 -1.80 -0.07 0.00 0.01 0.00 0.00 42.46 40.47 3hrd s ILE 71 CO 0.03 0.55 1.38 -0.83 0.00 0.00 0.00 174.94 176.07 3hrd s GLY 72 N 0.68 2.90 0.36 6.18 0.00 0.17 -0.56 107.32 117.05 3hrd s GLY 72 Ca -0.11 1.37 0.03 0.00 0.00 0.00 0.00 44.72 46.02 3hrd s GLY 72 CO 0.01 1.93 2.01 0.00 0.00 0.00 0.00 173.10 177.06 3hrd h ALA 73 N 1.99 1.57 0.00 3.20 0.00 -1.34 -1.74 119.26 122.95 3hrd h ALA 73 Ca -0.51 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3hrd h ALA 73 Cb 1.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hrd h ALA 73 CO 0.60 0.39 0.00 1.28 0.00 0.00 0.00 179.25 181.51 3hrd n LEU 74 N -4.44 0.00 -4.69 0.00 4.77 -1.13 0.57 117.00 112.08 3hrd n LEU 74 Ca 0.05 0.29 -0.43 0.00 -0.03 0.00 0.00 56.01 55.90 3hrd n LEU 74 Cb 0.06 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3hrd n LEU 74 CO 0.36 -0.01 0.89 -1.20 -1.33 0.00 0.00 177.39 176.11 3hrd n SER 75 N -1.29 2.72 -4.96 -1.43 7.64 -0.66 -4.68 113.62 110.96 3hrd n SER 75 Ca 0.14 1.21 -0.22 0.00 1.01 0.00 0.00 58.87 61.01 3hrd n SER 75 Cb 0.24 -1.48 -0.01 0.00 -1.01 0.00 0.00 64.21 61.95 3hrd n SER 75 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3hrd s THR 76 N -1.06 4.94 -1.04 0.44 -4.23 -1.26 -0.75 115.64 112.69 3hrd s THR 76 Ca 0.56 -0.79 0.07 0.00 -1.18 0.00 0.00 61.69 60.35 3hrd s THR 76 Cb -0.58 -3.77 0.06 0.00 1.34 0.00 0.00 72.50 69.56 3hrd s THR 76 CO 0.62 -0.38 1.20 0.49 -0.54 0.00 0.00 174.62 176.01 3hrd n PHE 77 N -1.61 0.00 -0.03 3.99 3.72 -0.92 -1.48 117.46 121.13 3hrd n PHE 77 Ca -0.06 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.13 3hrd n PHE 77 Cb 0.57 -0.48 -0.13 0.00 -0.94 0.00 0.00 39.48 38.50 3hrd n PHE 77 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3hrd h THR 78 N 0.00 0.84 -0.01 4.37 2.02 -1.65 -2.80 112.91 115.68 3hrd h THR 78 Ca 0.00 -2.31 -0.04 0.00 0.77 0.00 0.00 66.41 64.83 3hrd h THR 78 Cb 0.11 2.48 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 3hrd h THR 78 CO 0.00 0.66 -0.19 1.56 0.37 0.00 0.00 175.52 177.91 3hrd h GLN 79 N -0.38 0.01 -0.01 6.66 4.20 -1.63 -2.22 115.11 121.75 3hrd h GLN 79 Ca -0.36 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.26 3hrd h GLN 79 Cb 1.72 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.50 3hrd h GLN 79 CO -0.01 0.21 -0.33 0.82 -0.67 0.00 0.00 178.83 178.84 3hrd h ILE 80 N 0.01 1.50 0.00 2.54 2.04 -1.38 -2.67 117.51 119.56 3hrd h ILE 80 Ca 0.00 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 63.92 3hrd h ILE 80 Cb 0.35 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 3hrd h ILE 80 CO 0.03 0.54 0.00 1.05 0.00 0.00 0.00 178.15 179.77 3hrd h GLU 81 N -0.37 0.00 0.00 2.37 4.11 -1.36 -2.87 114.58 116.45 3hrd h GLU 81 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 3hrd h GLU 81 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3hrd h GLU 81 CO 0.07 0.00 -0.90 0.09 0.07 0.00 0.00 179.01 178.33 3hrd n ASN 82 N -2.78 0.78 -4.68 3.06 3.02 -0.85 -4.71 115.26 109.11 3hrd n ASN 82 Ca 0.01 -0.67 -0.42 0.00 -0.03 0.00 0.00 54.58 53.48 3hrd n ASN 82 Cb 0.30 0.81 -0.03 0.00 -0.61 0.00 0.00 39.78 40.25 3hrd n ASN 82 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3hrd s HIS 83 N -3.04 1.81 -0.26 3.10 2.46 -1.01 -4.84 115.29 113.52 3hrd s HIS 83 Ca 0.08 -0.14 0.16 0.00 0.47 0.00 0.00 55.06 55.63 3hrd s HIS 83 Cb 0.16 -4.16 0.88 0.00 -0.13 0.00 0.00 32.58 29.34 3hrd s HIS 83 CO 0.82 -4.95 1.46 -0.35 -2.47 0.00 0.00 174.74 169.25 3hrd n PRO 84 N 6.56 0.11 -0.13 2.88 -0.04 -1.26 -2.21 135.00 140.89 3hrd n PRO 84 Ca 0.18 0.59 -0.28 0.00 -0.04 0.00 0.00 63.50 63.95 3hrd n PRO 84 Cb 0.40 -1.93 -0.10 0.00 -0.04 0.00 0.00 33.50 31.83 3hrd n PRO 84 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3hrd n PHE 85 N -2.08 0.12 -0.26 0.54 7.35 -1.26 -3.69 117.46 118.19 3hrd n PHE 85 Ca -0.01 0.05 0.11 0.00 -0.76 0.00 0.00 57.45 56.85 3hrd n PHE 85 Cb 0.10 -1.00 0.38 0.00 0.35 0.00 0.00 39.48 39.31 3hrd n PHE 85 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3hrd h ILE 86 N -1.00 0.86 0.00 -2.13 1.08 -1.81 0.76 117.51 115.27 3hrd h ILE 86 Ca -0.64 -0.24 -0.11 0.00 -0.39 0.00 0.00 64.86 63.48 3hrd h ILE 86 Cb 1.56 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 3hrd h ILE 86 CO -0.39 0.13 -0.52 -0.09 -0.69 0.00 0.00 178.15 176.59 3hrd h ARG 87 N 0.70 0.00 0.00 2.37 2.43 -1.65 -2.52 114.38 115.70 3hrd h ARG 87 Ca 0.43 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.42 3hrd h ARG 87 Cb 0.66 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 3hrd h ARG 87 CO -0.19 0.52 -1.42 0.77 -1.51 0.00 0.00 179.97 178.14 3hrd h SER 88 N 0.00 0.00 0.00 -3.80 0.02 -1.06 -3.43 113.55 105.27 3hrd h SER 88 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3hrd h SER 88 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3hrd h SER 88 CO 0.07 0.61 -0.60 1.41 -1.14 0.00 0.00 176.83 177.17 3hrd n HIS 89 N -2.90 0.00 -2.06 3.45 8.25 0.05 -4.84 115.22 117.17 3hrd n HIS 89 Ca -0.10 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.98 3hrd n HIS 89 Cb 0.85 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.96 3hrd n HIS 89 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3hrd n VAL 90 N -1.82 4.89 -0.33 1.59 0.31 -0.95 -4.50 118.33 117.52 3hrd n VAL 90 Ca 0.00 -4.52 0.19 0.00 -0.01 0.00 0.00 64.34 60.00 3hrd n VAL 90 Cb 0.30 -1.72 0.39 0.00 -0.91 0.00 0.00 33.84 31.90 3hrd n VAL 90 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3hrd h ARG 91 N 3.95 0.39 -0.64 5.55 2.47 -1.73 -1.25 114.38 123.12 3hrd h ARG 91 Ca 0.58 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 59.31 3hrd h ARG 91 Cb 0.35 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.54 3hrd h ARG 91 CO 1.27 0.26 0.38 0.00 0.56 0.00 0.00 179.97 182.44 3hrd h ALA 92 N 1.78 0.83 0.15 0.04 0.00 -1.80 -0.87 119.26 119.40 3hrd h ALA 92 Ca 0.65 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 3hrd h ALA 92 Cb 1.35 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hrd h ALA 92 CO -0.56 0.11 -0.07 1.25 0.00 0.00 0.00 179.25 179.98 3hrd h LEU 93 N 0.74 -0.17 -0.04 0.00 5.85 -1.57 -2.97 115.31 117.14 3hrd h LEU 93 Ca 0.26 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3hrd h LEU 93 Cb 0.06 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3hrd h LEU 93 CO -0.12 0.19 -0.35 0.22 -0.34 0.00 0.00 178.44 178.04 3hrd h TYR 94 N -0.56 -1.04 -1.01 1.25 3.20 -1.13 0.25 116.97 117.94 3hrd h TYR 94 Ca -0.02 0.04 0.24 0.00 3.14 0.00 0.00 58.73 62.13 3hrd h TYR 94 Cb 0.43 0.46 -0.10 0.00 1.54 0.00 0.00 36.73 39.06 3hrd h TYR 94 CO 0.04 -0.36 0.64 0.87 -1.64 0.00 0.00 178.16 177.70 3hrd h LYS 95 N -0.41 0.48 -0.29 1.82 1.79 -1.27 0.42 116.57 119.11 3hrd h LYS 95 Ca 0.01 -0.03 -0.17 0.00 -2.18 0.00 0.00 60.65 58.28 3hrd h LYS 95 Cb 0.46 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3hrd h LYS 95 CO -0.26 0.32 -0.49 0.00 -1.08 0.00 0.00 179.45 177.95 3hrd h ALA 96 N 1.64 0.45 -0.40 3.86 0.00 -1.16 -3.05 119.26 120.60 3hrd h ALA 96 Ca 0.59 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3hrd h ALA 96 Cb 1.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3hrd h ALA 96 CO -0.33 0.62 -0.08 0.00 0.00 0.00 0.00 179.25 179.46 3hrd h ALA 97 N 0.68 0.54 0.00 0.00 0.00 0.24 -2.92 119.26 117.80 3hrd h ALA 97 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hrd h ALA 97 Cb 1.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3hrd h ALA 97 CO 0.11 0.40 0.00 -1.13 0.00 0.00 0.00 179.25 178.63 3hrd n SER 98 N -4.35 0.00 0.00 0.00 3.41 0.12 -2.99 113.62 109.81 3hrd n SER 98 Ca -0.01 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 3hrd n SER 98 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3hrd n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hrd n GLN 99 N -0.93 1.52 -2.50 4.33 6.02 -1.11 -5.02 117.38 119.69 3hrd n GLN 99 Ca 0.13 -1.03 -0.43 0.00 -0.01 0.00 0.00 57.00 55.67 3hrd n GLN 99 Cb 0.06 -0.85 -0.02 0.00 1.02 0.00 0.00 30.24 30.45 3hrd n GLN 99 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hrd s VAL 100 N -0.56 4.34 0.00 5.09 1.01 -1.16 -4.81 120.40 124.32 3hrd s VAL 100 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.56 3hrd s VAL 100 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.20 3hrd s VAL 100 CO 0.00 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.38 3hrd n GLY 101 N 3.85 1.73 3.37 4.51 0.00 -1.26 -4.44 105.19 112.96 3hrd n GLY 101 Ca 0.13 0.50 -0.15 0.00 0.00 0.00 0.00 46.02 46.51 3hrd n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hrd s SER 102 N -4.00 0.94 0.30 1.61 1.04 -1.26 -1.45 113.70 110.88 3hrd s SER 102 Ca 0.00 -1.51 0.05 0.00 0.48 0.00 0.00 55.95 54.97 3hrd s SER 102 Cb 0.00 0.57 0.71 0.00 0.10 0.00 0.00 66.02 67.39 3hrd s SER 102 CO 0.00 -1.12 1.78 -0.65 0.98 0.00 0.00 173.24 174.24 3hrd h PRO 103 N 2.23 0.78 -0.08 4.02 0.11 -1.98 0.11 132.00 137.19 3hrd h PRO 103 Ca -0.28 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 3hrd h PRO 103 Cb 1.24 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hrd h PRO 103 CO 0.40 0.51 0.04 1.96 -0.21 0.00 0.00 178.00 180.71 3hrd h GLN 104 N 0.80 0.11 -0.08 1.05 7.50 -1.96 -1.55 115.11 120.99 3hrd h GLN 104 Ca 0.57 -0.02 -0.09 0.00 0.50 0.00 0.00 58.65 59.61 3hrd h GLN 104 Cb 0.83 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.33 3hrd h GLN 104 CO -0.37 0.18 -0.34 0.82 -1.50 0.00 0.00 178.83 177.63 3hrd h ILE 105 N 0.01 1.27 0.00 2.54 1.08 -1.65 -2.49 117.51 118.28 3hrd h ILE 105 Ca 0.03 -1.30 -0.03 0.00 -0.39 0.00 0.00 64.86 63.16 3hrd h ILE 105 Cb 0.11 1.59 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 3hrd h ILE 105 CO -0.00 0.38 -0.16 0.03 -0.69 0.00 0.00 178.15 177.71 3hrd h ARG 106 N 0.14 0.00 0.00 2.37 3.08 -0.55 0.68 114.38 120.10 3hrd h ARG 106 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3hrd h ARG 106 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3hrd h ARG 106 CO 0.05 0.16 -0.09 -0.91 -1.07 0.00 0.00 179.97 178.11 3hrd h ASN 107 N 0.00 0.00 0.00 7.04 2.35 -0.82 -2.00 115.58 122.15 3hrd h ASN 107 Ca -0.00 -0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.47 3hrd h ASN 107 Cb 0.79 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.12 3hrd h ASN 107 CO 0.02 0.00 -1.94 0.18 -1.65 0.00 0.00 177.43 174.05 3hrd n LEU 108 N -2.95 1.79 -4.69 1.61 4.77 -1.04 -4.96 117.00 111.54 3hrd n LEU 108 Ca 0.04 0.11 -0.44 0.00 -0.03 0.00 0.00 56.01 55.69 3hrd n LEU 108 Cb 0.52 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3hrd n LEU 108 CO 0.34 0.49 1.09 0.61 -1.33 0.00 0.00 177.39 178.59 3hrd n GLY 109 N 2.20 0.94 3.37 -0.72 0.00 0.23 -4.00 105.19 107.23 3hrd n GLY 109 Ca -0.32 0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3hrd n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hrd s THR 110 N 0.02 2.31 0.42 2.61 -4.23 -1.26 -2.16 115.64 113.35 3hrd s THR 110 Ca 0.68 -1.35 0.16 0.00 -1.18 0.00 0.00 61.69 60.00 3hrd s THR 110 Cb -0.61 -1.92 0.37 0.00 1.34 0.00 0.00 72.50 71.67 3hrd s THR 110 CO 0.48 0.35 1.88 -0.29 -0.54 0.00 0.00 174.62 176.51 3hrd h ILE 111 N 4.15 0.73 -0.50 2.99 6.09 -0.92 0.15 117.51 130.20 3hrd h ILE 111 Ca -0.47 -0.15 -0.07 0.00 -1.37 0.00 0.00 64.86 62.80 3hrd h ILE 111 Cb 1.15 0.26 -0.02 0.00 0.47 0.00 0.00 36.82 38.67 3hrd h ILE 111 CO 0.44 0.08 0.01 1.23 -3.07 0.00 0.00 178.15 176.84 3hrd h GLY 112 N 0.44 0.89 1.65 8.18 0.00 -0.12 -1.54 103.07 112.56 3hrd h GLY 112 Ca 0.43 -0.60 -0.15 0.00 0.00 0.00 0.00 47.33 47.01 3hrd h GLY 112 CO -0.16 0.55 -0.60 -1.33 0.00 0.00 0.00 176.54 175.01 3hrd h GLY 113 N 0.98 0.40 0.84 4.60 0.00 -0.93 -1.27 103.07 107.69 3hrd h GLY 113 Ca 0.15 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 3hrd h GLY 113 CO 0.02 0.44 -0.17 -0.57 0.00 0.00 0.00 176.54 176.26 3hrd h ASN 114 N 0.27 0.52 0.99 0.19 -0.73 -1.03 -2.16 115.58 113.64 3hrd h ASN 114 Ca -0.00 -0.46 -0.08 0.00 1.87 0.00 0.00 56.30 57.63 3hrd h ASN 114 Cb 1.12 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 39.55 3hrd h ASN 114 CO 0.10 0.87 -0.37 -0.07 -0.37 0.00 0.00 177.43 177.59 3hrd h LEU 115 N 0.18 0.00 -0.37 0.34 3.38 -1.30 -2.61 115.31 114.93 3hrd h LEU 115 Ca 0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 3hrd h LEU 115 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3hrd h LEU 115 CO 0.05 0.37 -0.78 0.28 0.09 0.00 0.00 178.44 178.44 3hrd h SER 116 N 0.00 0.00 1.00 -0.43 0.02 -1.17 -3.16 113.55 109.81 3hrd h SER 116 Ca -0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.76 3hrd h SER 116 Cb 0.97 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 3hrd h SER 116 CO 0.05 0.78 -0.88 0.74 -1.14 0.00 0.00 176.83 176.39 3hrd h THR 117 N 0.00 1.56 -6.48 -2.27 2.02 -1.25 -3.46 112.91 103.04 3hrd h THR 117 Ca -0.01 -3.07 -0.49 0.00 0.77 0.00 0.00 66.41 63.61 3hrd h THR 117 Cb 1.42 2.68 -0.02 0.00 -1.74 0.00 0.00 68.15 70.50 3hrd h THR 117 CO 0.10 0.86 -0.91 -1.20 0.37 0.00 0.00 175.52 174.74 3hrd n SER 118 N -3.40 -1.84 -4.80 4.18 7.64 -1.00 -4.92 113.62 109.48 3hrd n SER 118 Ca 0.00 -1.04 -0.34 0.00 1.01 0.00 0.00 58.87 58.50 3hrd n SER 118 Cb 0.86 -2.98 -0.03 0.00 -1.01 0.00 0.00 64.21 61.05 3hrd n SER 118 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3hrd s SER 119 N -4.08 6.24 0.54 6.43 0.15 -1.26 -4.95 113.70 116.77 3hrd s SER 119 Ca 0.16 1.91 0.20 0.00 0.70 0.00 0.00 55.95 58.93 3hrd s SER 119 Cb -0.06 -2.56 1.43 0.00 -1.71 0.00 0.00 66.02 63.12 3hrd s SER 119 CO 0.89 -0.85 2.17 0.58 1.20 0.00 0.00 173.24 177.23 3hrd h VAL 120 N 1.36 0.85 -0.07 4.45 2.07 -1.92 -2.43 116.25 120.57 3hrd h VAL 120 Ca -0.49 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3hrd h VAL 120 Cb 1.22 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3hrd h VAL 120 CO 0.59 0.01 -0.01 0.00 0.02 0.00 0.00 177.57 178.18 3hrd n ALA 121 N -2.47 2.48 -1.62 1.67 0.00 -1.26 -2.63 120.51 116.68 3hrd n ALA 121 Ca -0.03 -2.56 -0.43 0.00 0.00 0.00 0.00 53.44 50.42 3hrd n ALA 121 Cb 0.10 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 3hrd n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrd n GLY 122 N -1.20 1.31 0.17 0.00 0.00 -0.92 -4.56 105.19 100.00 3hrd n GLY 122 Ca 0.18 0.79 -0.00 0.00 0.00 0.00 0.00 46.02 46.99 3hrd n GLY 122 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hrd h ASP 123 N 13.60 0.06 -0.07 1.61 3.32 -1.93 0.17 116.42 133.19 3hrd h ASP 123 Ca -0.44 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 3hrd h ASP 123 Cb 1.24 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3hrd h ASP 123 CO 0.95 0.53 -0.23 1.23 -1.72 0.00 0.00 179.24 180.01 3hrd h GLY 124 N 1.41 0.30 0.35 2.75 0.00 -1.88 -0.95 103.07 105.05 3hrd h GLY 124 Ca -0.00 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 46.97 3hrd h GLY 124 CO 0.06 0.35 -0.27 -2.08 0.00 0.00 0.00 176.54 174.61 3hrd h VAL 125 N -0.23 0.39 -0.16 4.60 2.07 -1.77 -1.10 116.25 120.05 3hrd h VAL 125 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3hrd h VAL 125 Cb 0.86 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3hrd h VAL 125 CO 0.05 0.00 -0.12 -1.28 0.02 0.00 0.00 177.57 176.24 3hrd h SER 126 N -0.39 -0.38 -0.11 0.57 0.87 -0.69 -1.55 113.55 111.87 3hrd h SER 126 Ca 0.07 0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.76 3hrd h SER 126 Cb 0.49 0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.59 3hrd h SER 126 CO -0.26 -0.16 -0.25 0.00 -0.53 0.00 0.00 176.83 175.63 3hrd h ALA 127 N 0.99 -0.25 -0.48 6.23 0.00 -0.70 -1.32 119.26 123.72 3hrd h ALA 127 Ca 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3hrd h ALA 127 Cb 0.27 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3hrd h ALA 127 CO -0.24 -0.72 0.19 0.52 0.00 0.00 0.00 179.25 179.01 3hrd h MET 128 N -0.33 0.69 -0.26 0.00 2.86 -0.98 -2.77 114.93 114.15 3hrd h MET 128 Ca 0.10 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3hrd h MET 128 Cb 0.47 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3hrd h MET 128 CO -0.30 0.57 -0.14 1.15 1.06 0.00 0.00 176.91 179.25 3hrd h THR 129 N 0.69 1.30 -0.18 2.22 2.02 -0.84 0.17 112.91 118.30 3hrd h THR 129 Ca 0.17 -1.23 0.05 0.00 0.77 0.00 0.00 66.41 66.17 3hrd h THR 129 Cb 0.13 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3hrd h THR 129 CO -0.02 0.39 0.19 0.74 0.37 0.00 0.00 175.52 177.19 3hrd h THR 130 N 0.27 0.48 -0.00 3.16 2.02 -1.04 0.37 112.91 118.17 3hrd h THR 130 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3hrd h THR 130 Cb 0.65 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3hrd h THR 130 CO 0.04 0.00 -0.73 0.18 0.37 0.00 0.00 175.52 175.38 3hrd n LEU 131 N -3.82 1.11 -3.19 2.58 4.77 -0.86 -4.51 117.00 113.09 3hrd n LEU 131 Ca 0.01 -0.43 -0.14 0.00 -0.03 0.00 0.00 56.01 55.42 3hrd n LEU 131 Cb 0.32 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 3hrd n LEU 131 CO 0.28 0.25 0.03 -0.67 -1.33 0.00 0.00 177.39 175.94 3hrd n ASP 132 N -1.12 -6.96 -4.98 -1.43 2.03 0.13 -4.78 116.55 99.44 3hrd n ASP 132 Ca 0.06 -0.02 -0.20 0.00 0.52 0.00 0.00 54.79 55.16 3hrd n ASP 132 Cb 0.36 -4.08 0.01 0.00 -0.72 0.00 0.00 41.12 36.69 3hrd n ASP 132 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hrd s ALA 133 N -2.57 4.12 -0.04 -1.67 0.00 -1.00 -4.84 121.76 115.75 3hrd s ALA 133 Ca 0.16 -1.37 0.06 0.00 0.00 0.00 0.00 51.96 50.82 3hrd s ALA 133 Cb -0.03 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 3hrd s ALA 133 CO 0.80 -0.24 -0.23 0.99 0.00 0.00 0.00 175.76 177.08 3hrd s THR 134 N -2.36 2.27 -0.11 0.00 2.01 -0.38 0.86 115.64 117.93 3hrd s THR 134 Ca 0.49 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.49 3hrd s THR 134 Cb -0.10 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 3hrd s THR 134 CO 0.34 0.58 -0.15 0.68 -0.69 0.00 0.00 174.62 175.38 3hrd s VAL 135 N -0.48 2.90 -0.47 3.82 -7.23 -0.50 0.60 120.40 119.04 3hrd s VAL 135 Ca 0.06 -0.73 -0.23 0.00 -1.81 0.00 0.00 61.98 59.27 3hrd s VAL 135 Cb -0.11 -2.19 0.03 0.00 0.56 0.00 0.00 36.38 34.67 3hrd s VAL 135 CO 0.01 0.54 0.81 -0.69 -0.31 0.00 0.00 175.10 175.46 3hrd s VAL 136 N 0.15 4.61 -0.19 1.32 1.01 -0.50 -3.36 120.40 123.44 3hrd s VAL 136 Ca -0.08 0.36 -0.10 0.00 0.00 0.00 0.00 61.98 62.17 3hrd s VAL 136 Cb -0.15 -4.36 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 3hrd s VAL 136 CO 0.05 -0.80 0.13 -0.76 0.00 0.00 0.00 175.10 173.73 3hrd s LEU 137 N 3.39 4.24 0.10 3.92 1.43 -0.86 -0.99 118.68 129.90 3hrd s LEU 137 Ca 0.29 0.27 0.09 0.00 -1.03 0.00 0.00 54.13 53.75 3hrd s LEU 137 Cb -0.12 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 3hrd s LEU 137 CO 0.22 0.21 -0.22 -1.61 0.23 0.00 0.00 176.35 175.18 3hrd s GLU 138 N 0.15 1.24 0.36 1.70 2.02 -1.19 -0.47 118.70 122.51 3hrd s GLU 138 Ca 0.09 -1.16 -0.07 0.00 0.02 0.00 0.00 54.97 53.85 3hrd s GLU 138 Cb -0.11 -1.53 0.03 0.00 0.10 0.00 0.00 34.13 32.62 3hrd s GLU 138 CO -0.01 0.36 0.59 -1.13 0.02 0.00 0.00 175.26 175.10 3hrd n SER 139 N 1.19 -1.69 0.15 -0.19 3.41 -1.26 -1.69 113.62 113.54 3hrd n SER 139 Ca -0.19 -2.76 0.03 0.00 -0.26 0.00 0.00 58.87 55.69 3hrd n SER 139 Cb 0.53 2.99 0.06 0.00 -0.26 0.00 0.00 64.21 67.53 3hrd n SER 139 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3hrd h VAL 140 N 1.99 0.85 0.02 -3.33 -1.51 -1.84 -3.32 116.25 109.12 3hrd h VAL 140 Ca -0.29 -2.13 -0.00 0.00 -1.23 0.00 0.00 66.70 63.05 3hrd h VAL 140 Cb 1.19 2.37 0.00 0.00 -2.13 0.00 0.00 31.29 32.72 3hrd h VAL 140 CO 0.38 0.47 -0.01 0.03 -1.23 0.00 0.00 177.57 177.22 3hrd h ARG 141 N 0.00 -0.03 0.00 5.19 3.08 -1.96 -3.48 114.38 117.19 3hrd h ARG 141 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hrd h ARG 141 Cb 1.33 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3hrd h ARG 141 CO 0.06 0.57 0.00 0.41 -1.07 0.00 0.00 179.97 179.94 3hrd n GLY 142 N 0.59 1.29 3.47 0.04 0.00 -1.25 -5.16 105.19 104.17 3hrd n GLY 142 Ca -0.09 0.51 -0.32 0.00 0.00 0.00 0.00 46.02 46.12 3hrd n GLY 142 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3hrd n THR 143 N 0.00 0.00 -3.44 2.61 5.66 -1.26 -4.51 114.28 113.34 3hrd n THR 143 Ca 0.00 -0.15 -0.04 0.00 -3.05 0.00 0.00 64.05 60.80 3hrd n THR 143 Cb 0.00 -0.71 0.02 0.00 -1.55 0.00 0.00 70.33 68.08 3hrd n THR 143 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 3hrd n ARG 144 N -2.33 0.58 -4.02 1.09 1.85 0.38 -4.98 116.66 109.22 3hrd n ARG 144 Ca 0.08 -1.15 -0.11 0.00 -1.00 0.00 0.00 57.85 55.67 3hrd n ARG 144 Cb 0.53 1.45 -0.05 0.00 -1.05 0.00 0.00 32.46 33.34 3hrd n ARG 144 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3hrd s GLN 145 N -2.05 1.68 0.00 2.89 -0.21 -1.26 -2.03 119.66 118.69 3hrd s GLN 145 Ca 0.09 -1.43 0.00 0.00 0.02 0.00 0.00 55.36 54.03 3hrd s GLN 145 Cb -0.03 0.46 0.00 0.00 1.00 0.00 0.00 33.01 34.45 3hrd s GLN 145 CO 0.06 -0.70 0.00 0.00 -2.12 0.00 0.00 175.29 172.53 3hrd n MET 146 N -0.44 0.00 -2.12 2.91 0.00 -1.21 -4.97 117.12 111.29 3hrd n MET 146 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.27 3hrd n MET 146 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.81 3hrd n MET 146 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 3hrd s LYS 147 N -2.00 4.31 0.50 3.17 -0.14 -1.26 -1.42 119.74 122.90 3hrd s LYS 147 Ca 0.00 2.15 0.31 0.00 -1.36 0.00 0.00 55.97 57.08 3hrd s LYS 147 Cb 0.00 -3.20 1.42 0.00 -1.68 0.00 0.00 37.83 34.38 3hrd s LYS 147 CO 0.00 -0.42 1.80 1.25 -0.76 0.00 0.00 175.35 177.23 3hrd h LEU 148 N 6.14 0.13 -1.25 3.17 5.85 0.14 0.40 115.31 129.89 3hrd h LEU 148 Ca -0.43 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.34 3hrd h LEU 148 Cb 1.21 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 3hrd h LEU 148 CO 0.83 0.02 0.52 0.00 -0.34 0.00 0.00 178.44 179.48 3hrd h THR 149 N 0.11 1.14 0.00 1.05 1.03 -1.89 0.07 112.91 114.42 3hrd h THR 149 Ca 0.56 -0.34 -0.13 0.00 -0.01 0.00 0.00 66.41 66.50 3hrd h THR 149 Cb 2.00 0.06 -0.02 0.00 -1.07 0.00 0.00 68.15 69.13 3hrd h THR 149 CO -0.09 0.18 -0.64 0.44 -0.01 0.00 0.00 175.52 175.39 3hrd h ASP 150 N 0.99 0.00 0.15 0.00 3.32 -0.60 -3.25 116.42 117.02 3hrd h ASP 150 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3hrd h ASP 150 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3hrd h ASP 150 CO -0.09 0.58 -0.14 0.15 -1.72 0.00 0.00 179.24 178.03 3hrd h PHE 151 N 0.00 -0.36 -0.27 4.55 3.57 -0.18 0.21 116.94 124.46 3hrd h PHE 151 Ca -0.02 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.52 3hrd h PHE 151 Cb 1.46 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 40.31 3hrd h PHE 151 CO 0.00 -0.21 0.07 0.74 -2.23 0.00 0.00 178.31 176.68 3hrd h PHE 152 N -0.31 0.12 -0.26 0.41 0.04 -1.32 -2.11 116.94 113.50 3hrd h PHE 152 Ca 0.00 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.71 3hrd h PHE 152 Cb 0.29 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 3hrd h PHE 152 CO -0.12 0.04 -0.15 -0.44 -0.60 0.00 0.00 178.31 177.04 3hrd h ASP 153 N 0.18 0.44 -3.50 2.17 3.32 -1.56 -3.37 116.42 114.10 3hrd h ASP 153 Ca 0.12 -0.12 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 3hrd h ASP 153 Cb 0.11 -0.12 0.21 0.00 0.22 0.00 0.00 39.33 39.76 3hrd h ASP 153 CO -0.15 0.62 -0.30 0.61 -1.72 0.00 0.00 179.24 178.30 3hrd n GLY 154 N -0.61 -1.55 2.65 2.75 0.00 0.71 -4.92 105.19 104.22 3hrd n GLY 154 Ca 0.00 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 3hrd n GLY 154 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hrd s GLU 155 N -4.06 0.55 0.00 1.61 2.02 -1.24 -3.31 118.70 114.27 3hrd s GLU 155 Ca 0.62 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.69 3hrd s GLU 155 Cb -0.21 -0.93 0.00 0.00 0.10 0.00 0.00 34.13 33.09 3hrd s GLU 155 CO 0.64 -1.17 0.00 0.41 0.02 0.00 0.00 175.26 175.16 3hrd n GLY 156 N 4.35 0.81 0.00 -1.39 0.00 -0.34 -4.78 105.19 103.84 3hrd n GLY 156 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 3hrd n GLY 156 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3hrd n PHE 157 N 0.00 0.00 -3.73 1.61 -1.74 -0.59 -4.61 117.46 108.40 3hrd n PHE 157 Ca 0.00 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.77 3hrd n PHE 157 Cb 0.00 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 40.87 3hrd n PHE 157 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 3hrd s LYS 158 N -2.00 0.24 0.18 3.97 1.02 -1.26 -5.03 119.74 116.86 3hrd s LYS 158 Ca 0.27 0.54 -0.13 0.00 0.02 0.00 0.00 55.97 56.68 3hrd s LYS 158 Cb 0.13 -0.08 0.14 0.00 -0.52 0.00 0.00 37.83 37.50 3hrd s LYS 158 CO 0.21 -0.15 1.78 0.00 -0.92 0.00 0.00 175.35 176.27 3hrd h ARG 159 N 7.01 0.47 -0.96 1.68 3.08 -1.90 -3.06 114.38 120.69 3hrd h ARG 159 Ca -0.38 -0.03 0.29 0.00 0.07 0.00 0.00 59.98 59.93 3hrd h ARG 159 Cb 1.16 -0.11 -0.18 0.00 0.08 0.00 0.00 29.97 30.93 3hrd h ARG 159 CO 0.36 0.31 0.11 2.89 -1.07 0.00 0.00 179.97 182.57 3hrd n ARG 160 N -4.90 -0.07 -2.99 0.04 1.85 -1.26 -4.53 116.66 104.79 3hrd n ARG 160 Ca 0.04 1.42 -0.09 0.00 -1.00 0.00 0.00 57.85 58.23 3hrd n ARG 160 Cb 0.14 -2.31 -0.03 0.00 -1.05 0.00 0.00 32.46 29.21 3hrd n ARG 160 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3hrd n ASN 161 N -5.39 -0.58 -1.06 2.89 0.23 -1.16 -4.61 115.26 105.58 3hrd n ASN 161 Ca 0.25 -2.07 0.06 0.00 -0.53 0.00 0.00 54.58 52.29 3hrd n ASN 161 Cb 0.83 1.17 0.22 0.00 -2.08 0.00 0.00 39.78 39.92 3hrd n ASN 161 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hrd n ALA 162 N -1.78 2.79 -1.75 -2.53 0.00 -0.88 -1.20 120.51 115.16 3hrd n ALA 162 Ca -0.07 -0.96 -0.38 0.00 0.00 0.00 0.00 53.44 52.03 3hrd n ALA 162 Cb 0.32 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 18.80 3hrd n ALA 162 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hrd s LEU 163 N -1.28 3.83 0.05 0.00 1.43 -1.26 -4.07 118.68 117.38 3hrd s LEU 163 Ca 0.32 2.71 0.05 0.00 -1.03 0.00 0.00 54.13 56.18 3hrd s LEU 163 Cb 0.20 -4.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.07 3hrd s LEU 163 CO 0.17 -1.56 -0.10 -1.61 0.23 0.00 0.00 176.35 173.47 3hrd s GLU 164 N -2.95 2.31 0.06 1.70 0.41 -1.26 -1.55 118.70 117.42 3hrd s GLU 164 Ca 0.72 -0.88 0.01 0.00 -0.41 0.00 0.00 54.97 54.42 3hrd s GLU 164 Cb -0.39 -2.37 0.08 0.00 -1.78 0.00 0.00 34.13 29.67 3hrd s GLU 164 CO 0.46 0.56 0.75 0.00 -0.49 0.00 0.00 175.26 176.53 3hrd n ALA 165 N 1.26 0.35 -0.70 5.21 0.00 -1.26 0.11 120.51 125.48 3hrd n ALA 165 Ca -0.15 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.35 3hrd n ALA 165 Cb 0.52 -0.37 0.06 0.00 0.00 0.00 0.00 19.45 19.67 3hrd n ALA 165 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hrd n ASP 166 N -1.31 1.83 -4.80 0.00 5.75 -1.26 -4.58 116.55 112.17 3hrd n ASP 166 Ca -0.00 -2.39 -0.24 0.00 -0.01 0.00 0.00 54.79 52.15 3hrd n ASP 166 Cb 0.36 -0.20 -0.05 0.00 -1.03 0.00 0.00 41.12 40.20 3hrd n ASP 166 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3hrd s GLU 167 N -1.64 2.88 -0.25 0.11 2.02 0.12 -4.43 118.70 117.51 3hrd s GLU 167 Ca 0.14 -0.99 -0.03 0.00 0.02 0.00 0.00 54.97 54.11 3hrd s GLU 167 Cb 0.12 -2.58 0.11 0.00 0.10 0.00 0.00 34.13 31.88 3hrd s GLU 167 CO 0.01 0.44 0.24 -1.50 0.02 0.00 0.00 175.26 174.47 3hrd s ILE 168 N -1.96 -0.34 0.11 -1.63 2.07 -0.68 -4.81 121.20 113.95 3hrd s ILE 168 Ca 0.32 -0.32 -0.35 0.00 -1.41 0.00 0.00 60.65 58.89 3hrd s ILE 168 Cb -0.09 -0.83 -0.14 0.00 0.13 0.00 0.00 42.46 41.53 3hrd s ILE 168 CO 0.24 -0.35 1.55 0.80 -1.91 0.00 0.00 174.94 175.26 3hrd n MET 169 N 5.31 1.86 -0.00 3.50 0.00 -1.26 -3.20 117.12 123.33 3hrd n MET 169 Ca -0.04 0.67 0.01 0.00 -0.00 0.00 0.00 57.70 58.34 3hrd n MET 169 Cb 0.48 -2.41 -0.01 0.00 0.00 0.00 0.00 33.22 31.28 3hrd n MET 169 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3hrd n THR 170 N 3.37 0.00 -3.46 1.12 -2.24 -0.16 -4.65 114.28 108.26 3hrd n THR 170 Ca 0.18 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 3hrd n THR 170 Cb 0.26 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 3hrd n THR 170 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3hrd s GLU 171 N -1.31 1.15 -0.01 -0.78 2.12 -1.24 -1.92 118.70 116.71 3hrd s GLU 171 Ca 0.00 -0.25 0.05 0.00 0.36 0.00 0.00 54.97 55.14 3hrd s GLU 171 Cb 0.01 0.53 -0.01 0.00 0.26 0.00 0.00 34.13 34.92 3hrd s GLU 171 CO 0.04 -0.47 -0.16 0.08 -0.54 0.00 0.00 175.26 174.22 3hrd s VAL 172 N -2.94 1.26 -0.01 3.70 1.01 0.27 -1.41 120.40 122.28 3hrd s VAL 172 Ca -0.02 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.33 3hrd s VAL 172 Cb -0.01 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 3hrd s VAL 172 CO -0.06 0.35 -0.17 -0.63 0.00 0.00 0.00 175.10 174.59 3hrd s ILE 173 N -0.38 1.35 -0.03 2.22 1.01 0.20 -1.10 121.20 124.47 3hrd s ILE 173 Ca 0.06 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 3hrd s ILE 173 Cb -0.06 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.29 3hrd s ILE 173 CO -0.01 0.38 0.15 0.27 0.00 0.00 0.00 174.94 175.73 3hrd s ILE 174 N -0.38 0.04 0.47 2.92 -4.36 -1.01 -1.25 121.20 117.64 3hrd s ILE 174 Ca 0.06 -0.35 -0.25 0.00 -0.26 0.00 0.00 60.65 59.85 3hrd s ILE 174 Cb -0.07 -0.33 -0.08 0.00 1.25 0.00 0.00 42.46 43.24 3hrd s ILE 174 CO -0.01 -0.19 1.42 0.47 0.24 0.00 0.00 174.94 176.88 3hrd n ASP 175 N 2.23 3.22 -4.66 4.36 9.92 -1.26 -0.52 116.55 129.84 3hrd n ASP 175 Ca -0.18 1.09 -0.43 0.00 -0.53 0.00 0.00 54.79 54.75 3hrd n ASP 175 Cb 0.57 -1.60 -0.02 0.00 -0.64 0.00 0.00 41.12 39.43 3hrd n ASP 175 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3hrd s ARG 176 N -2.53 4.20 0.05 -1.24 3.52 0.13 -4.74 118.95 118.35 3hrd s ARG 176 Ca 0.63 1.39 -0.30 0.00 -0.13 0.00 0.00 55.73 57.32 3hrd s ARG 176 Cb -0.44 -3.70 -0.08 0.00 -1.56 0.00 0.00 34.95 29.16 3hrd s ARG 176 CO 0.56 -0.72 1.73 -2.14 -0.81 0.00 0.00 175.30 173.92 3hrd s PRO 177 N 3.41 4.18 0.66 5.12 0.02 -1.26 -4.99 135.00 142.13 3hrd s PRO 177 Ca 0.48 2.39 -0.02 0.00 0.02 0.00 0.00 61.00 63.87 3hrd s PRO 177 Cb -0.17 -3.74 0.08 0.00 0.02 0.00 0.00 34.50 30.70 3hrd s PRO 177 CO 0.11 -0.80 0.93 -0.51 -0.33 0.00 0.00 177.00 176.40 3hrd s ASP 178 N 2.89 4.75 0.09 2.53 -0.00 -1.26 -4.91 116.67 120.76 3hrd s ASP 178 Ca 0.77 -0.01 0.06 0.00 -0.00 0.00 0.00 52.55 53.36 3hrd s ASP 178 Cb -0.40 -0.60 0.30 0.00 -0.00 0.00 0.00 42.92 42.22 3hrd s ASP 178 CO 0.34 -1.57 1.12 0.00 -0.00 0.00 0.00 175.17 175.05 3hrd n ALA 179 N -2.71 0.88 0.28 5.23 0.00 -1.26 -0.68 120.51 122.25 3hrd n ALA 179 Ca 0.11 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.69 3hrd n ALA 179 Cb 0.60 -0.95 0.15 0.00 0.00 0.00 0.00 19.45 19.25 3hrd n ALA 179 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3hrd n HIS 180 N -1.66 0.34 -4.44 0.00 1.44 -1.26 -4.98 115.22 104.66 3hrd n HIS 180 Ca -0.00 -0.23 -0.26 0.00 -2.01 0.00 0.00 57.72 55.22 3hrd n HIS 180 Cb 0.08 -0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.09 3hrd n HIS 180 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 3hrd s SER 181 N -1.27 3.98 0.11 4.39 1.04 0.14 -2.38 113.70 119.72 3hrd s SER 181 Ca 0.28 -1.12 -0.25 0.00 0.48 0.00 0.00 55.95 55.35 3hrd s SER 181 Cb 0.17 -0.44 0.07 0.00 0.10 0.00 0.00 66.02 65.92 3hrd s SER 181 CO 0.24 -0.26 0.64 0.00 0.98 0.00 0.00 173.24 174.84 3hrd s ALA 182 N -2.58 -1.65 0.02 5.32 0.00 -0.89 -4.70 121.76 117.28 3hrd s ALA 182 Ca 0.34 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 52.92 3hrd s ALA 182 Cb 0.02 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 3hrd s ALA 182 CO 0.18 -0.71 0.05 -1.54 0.00 0.00 0.00 175.76 173.75 3hrd s SER 183 N -2.51 0.18 -0.01 0.00 1.04 -1.26 -2.28 113.70 108.86 3hrd s SER 183 Ca -0.00 -0.47 -0.16 0.00 0.48 0.00 0.00 55.95 55.80 3hrd s SER 183 Cb -0.01 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.31 3hrd s SER 183 CO -0.10 -0.40 0.33 0.00 0.98 0.00 0.00 173.24 174.05 3hrd s ALA 184 N -1.95 -0.84 0.06 5.32 0.00 -0.56 -3.19 121.76 120.59 3hrd s ALA 184 Ca -0.11 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.22 3hrd s ALA 184 Cb -0.05 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 3hrd s ALA 184 CO -0.02 -0.28 -0.05 0.12 0.00 0.00 0.00 175.76 175.53 3hrd s PHE 185 N -1.42 0.61 -0.19 0.00 5.36 -1.26 -1.79 117.98 119.29 3hrd s PHE 185 Ca -0.13 -0.83 -0.09 0.00 -0.96 0.00 0.00 56.93 54.93 3hrd s PHE 185 Cb -0.05 -0.39 0.07 0.00 -0.34 0.00 0.00 43.02 42.31 3hrd s PHE 185 CO 0.04 -0.22 0.45 -0.47 -1.46 0.00 0.00 175.22 173.56 3hrd s TYR 186 N -2.94 -0.74 -0.33 10.12 5.04 0.20 -4.93 117.35 123.77 3hrd s TYR 186 Ca 0.01 1.49 -0.11 0.00 -2.44 0.00 0.00 57.07 56.02 3hrd s TYR 186 Cb 0.01 0.34 -0.01 0.00 0.35 0.00 0.00 41.96 42.65 3hrd s TYR 186 CO -0.05 -0.42 0.19 0.21 -1.34 0.00 0.00 175.55 174.14 3hrd s LYS 187 N 1.87 3.31 -0.64 4.97 2.20 -1.26 -2.03 119.74 128.16 3hrd s LYS 187 Ca -0.07 -0.75 -0.20 0.00 -0.36 0.00 0.00 55.97 54.60 3hrd s LYS 187 Cb -0.09 -3.66 0.10 0.00 -1.51 0.00 0.00 37.83 32.67 3hrd s LYS 187 CO -0.14 -0.47 0.80 -1.17 -0.36 0.00 0.00 175.35 174.02 3hrd s LEU 188 N 1.64 5.16 0.46 5.43 2.96 -1.02 -5.01 118.68 128.29 3hrd s LEU 188 Ca 0.05 -1.41 0.03 0.00 -0.22 0.00 0.00 54.13 52.57 3hrd s LEU 188 Cb -0.17 -2.34 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 3hrd s LEU 188 CO 0.08 -1.18 0.07 0.00 -1.32 0.00 0.00 176.35 173.99 3hrd s ALA 189 N 2.95 3.48 0.05 5.97 0.00 -1.26 -0.21 121.76 132.74 3hrd s ALA 189 Ca 0.16 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 3hrd s ALA 189 Cb -0.20 0.39 -0.27 0.00 0.00 0.00 0.00 23.12 23.04 3hrd s ALA 189 CO 0.06 -0.18 1.04 0.87 0.00 0.00 0.00 175.76 177.54 3hrd h LYS 190 N 1.59 0.21 -4.72 0.00 6.56 -1.95 -3.48 116.57 114.78 3hrd h LYS 190 Ca -0.40 -0.37 -0.27 0.00 -1.06 0.00 0.00 60.65 58.55 3hrd h LYS 190 Cb 1.29 0.14 -0.15 0.00 -0.57 0.00 0.00 32.23 32.94 3hrd h LYS 190 CO 0.66 1.12 -0.65 -0.98 -2.06 0.00 0.00 179.45 177.54 3hrd s ARG 191 N -2.65 1.14 -0.02 3.15 1.70 -1.26 -5.05 118.95 115.96 3hrd s ARG 191 Ca -0.05 -1.57 0.01 0.00 -0.47 0.00 0.00 55.73 53.65 3hrd s ARG 191 Cb 0.07 -0.11 0.07 0.00 -0.57 0.00 0.00 34.95 34.41 3hrd s ARG 191 CO 0.86 -0.21 0.69 1.63 -1.08 0.00 0.00 175.30 177.19 3hrd n LYS 192 N -0.26 1.31 -3.59 3.89 5.02 -1.26 -4.68 118.16 118.59 3hrd n LYS 192 Ca -0.04 -0.27 -0.06 0.00 -2.02 0.00 0.00 58.31 55.92 3hrd n LYS 192 Cb 0.64 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 34.14 3hrd n LYS 192 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hrd s SER 193 N -0.24 -0.22 -1.33 4.39 0.15 -1.26 -4.99 113.70 110.20 3hrd s SER 193 Ca 0.05 0.14 -0.09 0.00 0.70 0.00 0.00 55.95 56.75 3hrd s SER 193 Cb 0.03 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 3hrd s SER 193 CO 0.02 -0.26 0.50 0.18 1.20 0.00 0.00 173.24 174.87 3hrd n LEU 194 N 0.31 -2.07 -4.28 3.45 4.77 -0.53 -4.95 117.00 113.71 3hrd n LEU 194 Ca -0.04 -1.06 -0.27 0.00 -0.03 0.00 0.00 56.01 54.60 3hrd n LEU 194 Cb 0.59 -2.15 -0.14 0.00 -2.33 0.00 0.00 43.42 39.38 3hrd n LEU 194 CO 0.11 0.48 -0.54 0.00 -1.33 0.00 0.00 177.39 176.12 3hrd s ALA 195 N -3.84 1.93 -0.14 -1.18 0.00 -1.26 -4.96 121.76 112.32 3hrd s ALA 195 Ca 0.17 -1.14 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 3hrd s ALA 195 Cb -0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3hrd s ALA 195 CO 0.90 0.44 0.46 0.42 0.00 0.00 0.00 175.76 177.98 3hrd s ILE 196 N -0.82 5.19 0.19 0.00 1.01 -1.26 -4.65 121.20 120.87 3hrd s ILE 196 Ca 0.09 0.90 -0.32 0.00 0.00 0.00 0.00 60.65 61.33 3hrd s ILE 196 Cb -0.09 -3.80 -0.11 0.00 0.01 0.00 0.00 42.46 38.47 3hrd s ILE 196 CO 0.02 0.31 1.62 -0.44 0.00 0.00 0.00 174.94 176.45 3hrd s SER 197 N 0.69 6.50 0.02 3.58 0.01 -1.26 -4.58 113.70 118.66 3hrd s SER 197 Ca 0.24 2.73 0.05 0.00 1.31 0.00 0.00 55.95 60.29 3hrd s SER 197 Cb -0.15 -2.60 -0.24 0.00 0.21 0.00 0.00 66.02 63.24 3hrd s SER 197 CO 0.09 -0.88 0.90 0.58 0.41 0.00 0.00 173.24 174.34 3hrd h VAL 198 N 3.89 1.19 -1.95 3.43 2.07 -0.94 -3.45 116.25 120.50 3hrd h VAL 198 Ca -0.43 -2.93 -0.11 0.00 0.82 0.00 0.00 66.70 64.05 3hrd h VAL 198 Cb 1.20 2.66 -0.28 0.00 -1.52 0.00 0.00 31.29 33.35 3hrd h VAL 198 CO 0.92 0.75 -0.43 -0.63 0.02 0.00 0.00 177.57 178.20 3hrd s ILE 199 N -2.64 -0.66 -1.26 4.57 1.01 -1.20 -4.70 121.20 116.33 3hrd s ILE 199 Ca -0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 3hrd s ILE 199 Cb 0.08 -0.80 0.18 0.00 0.01 0.00 0.00 42.46 41.93 3hrd s ILE 199 CO 0.83 -0.06 1.88 0.61 0.00 0.00 0.00 174.94 178.20 3hrd n GLY 200 N 5.38 4.89 3.66 6.18 0.00 -0.25 -2.45 105.19 122.60 3hrd n GLY 200 Ca -0.05 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 3hrd n GLY 200 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hrd s GLY 201 N 0.42 1.44 0.03 -0.02 0.00 -0.86 -1.27 107.32 107.06 3hrd s GLY 201 Ca 0.40 1.18 0.03 0.00 0.00 0.00 0.00 44.72 46.33 3hrd s GLY 201 CO 0.01 3.35 -0.08 -0.32 0.00 0.00 0.00 173.10 176.05 3hrd s GLY 202 N 4.24 0.50 0.02 0.20 0.00 -1.00 -0.63 107.32 110.64 3hrd s GLY 202 Ca 0.84 -0.62 -0.17 0.00 0.00 0.00 0.00 44.72 44.77 3hrd s GLY 202 CO 0.38 -0.63 0.37 -0.29 0.00 0.00 0.00 173.10 172.92 3hrd s MET 203 N -1.06 0.81 -0.28 2.90 1.75 -0.74 -1.82 119.30 120.86 3hrd s MET 203 Ca -0.04 -0.30 -0.17 0.00 -1.25 0.00 0.00 55.69 53.93 3hrd s MET 203 Cb -0.07 0.36 0.08 0.00 2.84 0.00 0.00 34.83 38.04 3hrd s MET 203 CO 0.00 -0.26 0.69 0.00 -0.65 0.00 0.00 175.02 174.81 3hrd s ALA 204 N -2.00 -1.86 0.02 4.11 0.00 0.37 -1.49 121.76 120.91 3hrd s ALA 204 Ca -0.08 2.36 -0.05 0.00 0.00 0.00 0.00 51.96 54.19 3hrd s ALA 204 Cb -0.02 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 3hrd s ALA 204 CO 0.01 -0.37 0.09 0.14 0.00 0.00 0.00 175.76 175.62 3hrd s VAL 205 N 1.46 0.10 0.18 0.00 -7.23 -0.96 0.69 120.40 114.63 3hrd s VAL 205 Ca -0.09 -0.86 0.11 0.00 -1.81 0.00 0.00 61.98 59.34 3hrd s VAL 205 Cb -0.05 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.31 3hrd s VAL 205 CO -0.17 -0.47 -0.25 -0.54 -0.31 0.00 0.00 175.10 173.36 3hrd s LYS 206 N -1.77 1.49 0.03 4.82 1.02 -0.83 -2.10 119.74 122.41 3hrd s LYS 206 Ca -0.12 -1.48 0.02 0.00 0.02 0.00 0.00 55.97 54.41 3hrd s LYS 206 Cb -0.06 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.37 3hrd s LYS 206 CO -0.01 0.41 -0.07 0.14 -0.92 0.00 0.00 175.35 174.90 3hrd s VAL 207 N -1.52 0.53 0.00 3.17 -7.23 -1.00 0.16 120.40 114.51 3hrd s VAL 207 Ca 0.19 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 3hrd s VAL 207 Cb -0.08 -0.56 0.00 0.00 0.56 0.00 0.00 36.38 36.30 3hrd s VAL 207 CO 0.09 -0.22 0.00 -0.90 -0.31 0.00 0.00 175.10 173.76 3hrd n ASP 208 N 1.90 0.00 -4.79 4.85 5.75 0.31 -4.80 116.55 119.77 3hrd n ASP 208 Ca -0.20 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.22 3hrd n ASP 208 Cb 0.56 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.61 3hrd n ASP 208 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3hrd s ASP 209 N -1.00 6.59 -0.48 -1.12 1.01 -1.26 -3.26 116.67 117.15 3hrd s ASP 209 Ca 0.00 2.02 0.00 0.00 0.71 0.00 0.00 52.55 55.28 3hrd s ASP 209 Cb 0.00 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.35 3hrd s ASP 209 CO 0.00 -0.61 0.00 0.00 0.21 0.00 0.00 175.17 174.77 3hrd n ALA 210 N -0.37 -0.07 -2.45 5.23 0.00 -1.26 -3.62 120.51 117.98 3hrd n ALA 210 Ca 0.06 0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.51 3hrd n ALA 210 Cb 0.50 -0.87 0.04 0.00 0.00 0.00 0.00 19.45 19.12 3hrd n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrd n GLY 211 N -1.79 0.03 3.16 0.00 0.00 -1.20 -4.91 105.19 100.48 3hrd n GLY 211 Ca -0.05 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 3hrd n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hrd s VAL 212 N -3.17 3.03 0.16 1.61 1.01 -1.24 -3.45 120.40 118.35 3hrd s VAL 212 Ca 0.11 -1.53 -0.32 0.00 0.00 0.00 0.00 61.98 60.24 3hrd s VAL 212 Cb -0.01 -2.81 -0.17 0.00 0.00 0.00 0.00 36.38 33.38 3hrd s VAL 212 CO 0.33 -0.22 0.93 0.00 0.00 0.00 0.00 175.10 176.14 3hrd n THR 214 N 0.89 1.00 -3.64 0.00 -1.04 0.12 -1.53 114.28 110.08 3hrd n THR 214 Ca 0.16 0.11 -0.25 0.00 -2.04 0.00 0.00 64.05 62.03 3hrd n THR 214 Cb 0.22 -1.77 -0.17 0.00 -1.82 0.00 0.00 70.33 66.79 3hrd n THR 214 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 3hrd s TRP 215 N -2.27 0.30 0.08 -1.42 -0.00 -1.23 -4.71 118.94 109.68 3hrd s TRP 215 Ca -0.12 -0.28 0.03 0.00 -0.00 0.00 0.00 56.10 55.72 3hrd s TRP 215 Cb 0.03 -0.70 -0.04 0.00 -0.00 0.00 0.00 33.47 32.76 3hrd s TRP 215 CO 0.17 -0.46 0.10 0.00 -0.00 0.00 0.00 176.95 176.75 3hrd s ALA 216 N 2.10 3.62 -0.08 5.86 0.00 -1.26 -1.97 121.76 130.03 3hrd s ALA 216 Ca 0.02 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 3hrd s ALA 216 Cb -0.15 -1.48 0.04 0.00 0.00 0.00 0.00 23.12 21.53 3hrd s ALA 216 CO -0.08 0.75 0.07 0.45 0.00 0.00 0.00 175.76 176.96 3hrd s SER 217 N -2.42 1.47 -0.23 0.00 0.15 0.22 -4.88 113.70 108.01 3hrd s SER 217 Ca 0.30 -0.11 -0.00 0.00 0.70 0.00 0.00 55.95 56.84 3hrd s SER 217 Cb -0.12 -0.16 0.06 0.00 -1.71 0.00 0.00 66.02 64.09 3hrd s SER 217 CO 0.23 -0.28 -0.02 -0.04 1.20 0.00 0.00 173.24 174.33 3hrd s MET 218 N 2.16 1.28 0.18 5.44 -1.94 -1.26 -0.48 119.30 124.69 3hrd s MET 218 Ca 0.04 -0.85 0.09 0.00 -1.71 0.00 0.00 55.69 53.27 3hrd s MET 218 Cb -0.13 -2.43 -0.04 0.00 2.01 0.00 0.00 34.83 34.23 3hrd s MET 218 CO -0.05 -0.64 -0.11 1.03 -0.01 0.00 0.00 175.02 175.24 3hrd s ARG 219 N 1.53 1.99 -0.17 2.03 1.81 -0.76 -0.87 118.95 124.51 3hrd s ARG 219 Ca -0.03 -1.31 0.01 0.00 -1.72 0.00 0.00 55.73 52.68 3hrd s ARG 219 Cb -0.18 -2.12 0.03 0.00 -0.45 0.00 0.00 34.95 32.23 3hrd s ARG 219 CO -0.08 0.43 -0.16 0.20 -0.68 0.00 0.00 175.30 175.01 3hrd s GLY 220 N -2.82 1.29 0.29 -3.53 0.00 -0.19 -2.38 107.32 99.98 3hrd s GLY 220 Ca 0.24 -1.13 -0.20 0.00 0.00 0.00 0.00 44.72 43.63 3hrd s GLY 220 CO 0.15 0.43 0.79 -0.32 0.00 0.00 0.00 173.10 174.15 3hrd s GLY 221 N 1.36 2.56 0.00 0.20 0.00 -0.40 -0.32 107.32 110.73 3hrd s GLY 221 Ca 0.04 0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.99 3hrd s GLY 221 CO -0.11 0.56 0.00 0.00 0.00 0.00 0.00 173.10 173.55 3hrd s ILE 223 N -1.98 4.13 0.00 0.00 1.01 -1.25 -4.94 121.20 118.17 3hrd s ILE 223 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.56 3hrd s ILE 223 Cb 0.00 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.11 3hrd s ILE 223 CO 0.00 -0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.29 3hrd n GLY 224 N 4.89 -2.53 0.21 6.18 0.00 -1.26 -3.16 105.19 109.52 3hrd n GLY 224 Ca -0.12 -1.66 0.06 0.00 0.00 0.00 0.00 46.02 44.30 3hrd n GLY 224 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hrd h ARG 225 N 0.00 0.00 -4.68 1.61 9.65 -1.94 -3.45 114.38 115.57 3hrd h ARG 225 Ca 0.00 0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 58.61 3hrd h ARG 225 Cb 0.00 0.00 -0.15 0.00 -1.39 0.00 0.00 29.97 28.43 3hrd h ARG 225 CO 0.00 0.31 -0.62 0.71 2.80 0.00 0.00 179.97 183.17 3hrd s TYR 226 N -3.96 1.27 -0.75 2.20 2.02 -1.26 -4.58 117.35 112.29 3hrd s TYR 226 Ca -0.02 -1.32 -0.26 0.00 -0.37 0.00 0.00 57.07 55.11 3hrd s TYR 226 Cb 0.13 -0.66 -0.16 0.00 -0.40 0.00 0.00 41.96 40.87 3hrd s TYR 226 CO 0.67 -0.55 2.47 -2.30 -1.57 0.00 0.00 175.55 174.28 3hrd n PRO 227 N -0.33 0.53 -1.31 -1.71 -0.02 -1.25 -4.58 135.00 126.33 3hrd n PRO 227 Ca 0.01 -0.15 -0.58 0.00 -2.02 0.00 0.00 63.50 60.76 3hrd n PRO 227 Cb 0.66 -2.64 -0.11 0.00 -0.02 0.00 0.00 33.50 31.40 3hrd n PRO 227 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3hrd n LEU 228 N 13.63 0.83 -4.58 2.45 7.94 0.56 -4.20 117.00 133.63 3hrd n LEU 228 Ca 0.51 0.78 -0.42 0.00 -1.11 0.00 0.00 56.01 55.76 3hrd n LEU 228 Cb 0.33 -0.84 -0.02 0.00 0.53 0.00 0.00 43.42 43.42 3hrd n LEU 228 CO 0.79 -0.74 1.08 -2.28 -1.11 0.00 0.00 177.39 175.13 3hrd s HIS 229 N 4.80 2.62 -1.18 1.96 5.65 -1.26 -1.02 115.29 126.87 3hrd s HIS 229 Ca 1.08 0.44 -0.08 0.00 0.25 0.00 0.00 55.06 56.76 3hrd s HIS 229 Cb -1.40 -4.51 -0.07 0.00 -1.18 0.00 0.00 32.58 25.42 3hrd s HIS 229 CO 0.66 -1.56 2.95 1.19 -0.65 0.00 0.00 174.74 177.33 3hrd n PHE 230 N 8.39 1.96 -0.00 3.88 3.72 -0.05 -4.67 117.46 130.68 3hrd n PHE 230 Ca 0.09 -2.66 -0.10 0.00 -0.05 0.00 0.00 57.45 54.73 3hrd n PHE 230 Cb 0.49 -2.11 -0.03 0.00 -0.94 0.00 0.00 39.48 36.89 3hrd n PHE 230 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3hrd h LYS 231 N 4.40 -0.30 -0.05 -1.08 3.64 -1.91 -0.07 116.57 121.21 3hrd h LYS 231 Ca 0.68 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 60.10 3hrd h LYS 231 Cb 0.54 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3hrd h LYS 231 CO 1.37 -0.20 0.04 0.37 -2.27 0.00 0.00 179.45 178.76 3hrd h GLN 232 N -0.31 0.00 0.01 1.90 4.15 -1.99 -0.68 115.11 118.19 3hrd h GLN 232 Ca 0.10 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.33 3hrd h GLN 232 Cb 0.46 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 3hrd h GLN 232 CO -0.32 0.00 -0.89 0.00 -1.93 0.00 0.00 178.83 175.69 3hrd h ALA 233 N 1.97 0.52 -2.63 3.38 0.00 -1.56 -3.30 119.26 117.64 3hrd h ALA 233 Ca 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3hrd h ALA 233 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hrd h ALA 233 CO -0.00 0.98 0.00 0.39 0.00 0.00 0.00 179.25 180.62 3hrd n GLU 234 N -3.60 0.00 -0.15 0.00 1.02 -0.17 -3.71 120.64 114.03 3hrd n GLU 234 Ca -0.03 0.06 0.13 0.00 -0.02 0.00 0.00 57.16 57.30 3hrd n GLU 234 Cb 0.82 -0.92 0.23 0.00 -0.02 0.00 0.00 31.44 31.55 3hrd n GLU 234 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hrd n GLU 235 N -0.68 -0.03 -0.04 3.49 1.02 -1.04 0.17 120.64 123.53 3hrd n GLU 235 Ca 0.00 0.66 -0.08 0.00 -0.02 0.00 0.00 57.16 57.72 3hrd n GLU 235 Cb 0.00 -1.14 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 3hrd n GLU 235 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 3hrd h MET 236 N 0.00 -0.21 -0.05 3.49 4.05 -1.64 -2.90 114.93 117.67 3hrd h MET 236 Ca 0.36 0.01 -0.25 0.00 -0.28 0.00 0.00 59.70 59.55 3hrd h MET 236 Cb 0.91 0.05 0.01 0.00 -0.80 0.00 0.00 31.60 31.77 3hrd h MET 236 CO -0.38 -0.14 -0.95 -0.07 0.23 0.00 0.00 176.91 175.60 3hrd h LEU 237 N -0.22 0.86 -9.45 3.39 3.38 -0.38 -3.46 115.31 109.44 3hrd h LEU 237 Ca 0.13 -0.65 -0.59 0.00 0.09 0.00 0.00 57.88 56.86 3hrd h LEU 237 Cb 0.42 -0.26 0.05 0.00 0.09 0.00 0.00 40.66 40.95 3hrd h LEU 237 CO -0.35 1.45 0.85 0.52 0.09 0.00 0.00 178.44 181.00 3hrd n VAL 238 N -3.86 0.13 -0.09 1.22 0.31 -1.02 -2.57 118.33 112.44 3hrd n VAL 238 Ca -0.09 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3hrd n VAL 238 Cb 0.83 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 3hrd n VAL 238 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hrd n GLY 239 N 3.60 0.95 3.52 2.92 0.00 -0.58 -4.92 105.19 110.68 3hrd n GLY 239 Ca 0.18 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 3hrd n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd s ALA 240 N -2.00 -1.79 0.66 4.61 0.00 -1.06 -4.88 121.76 117.30 3hrd s ALA 240 Ca 0.00 1.31 -0.17 0.00 0.00 0.00 0.00 51.96 53.10 3hrd s ALA 240 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3hrd s ALA 240 CO 0.00 -0.39 0.72 -2.30 0.00 0.00 0.00 175.76 173.79 3hrd n PRO 241 N 0.78 0.52 -3.68 0.00 -0.02 -1.22 -2.63 135.00 128.74 3hrd n PRO 241 Ca -0.17 0.22 -0.39 0.00 -2.02 0.00 0.00 63.50 61.13 3hrd n PRO 241 Cb 0.58 -1.96 -0.12 0.00 -0.02 0.00 0.00 33.50 31.98 3hrd n PRO 241 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hrd s LEU 242 N -1.04 4.57 0.50 2.45 1.43 -1.24 -4.87 118.68 120.47 3hrd s LEU 242 Ca 0.70 -1.14 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 3hrd s LEU 242 Cb -0.38 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 3hrd s LEU 242 CO 0.53 -0.37 0.18 0.28 0.23 0.00 0.00 176.35 177.19 3hrd s THR 243 N 1.46 1.57 0.16 5.49 -1.32 -1.26 -5.03 115.64 116.71 3hrd s THR 243 Ca 0.00 -1.76 -0.10 0.00 -1.21 0.00 0.00 61.69 58.62 3hrd s THR 243 Cb -0.20 -2.33 0.03 0.00 -1.51 0.00 0.00 72.50 68.49 3hrd s THR 243 CO 0.04 0.00 1.59 -0.03 -2.21 0.00 0.00 174.62 174.01 3hrd h MET 244 N 1.16 1.00 0.00 7.08 4.05 -1.97 -3.16 114.93 123.09 3hrd h MET 244 Ca -0.41 -0.36 -0.17 0.00 -0.28 0.00 0.00 59.70 58.48 3hrd h MET 244 Cb 1.30 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 32.00 3hrd h MET 244 CO 0.68 1.04 -0.81 1.05 0.23 0.00 0.00 176.91 179.09 3hrd h GLU 245 N 0.87 0.00 0.00 0.39 4.11 -1.98 -2.85 114.58 115.12 3hrd h GLU 245 Ca 0.14 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.54 3hrd h GLU 245 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 3hrd h GLU 245 CO 0.04 0.81 -0.15 0.00 0.07 0.00 0.00 179.01 179.79 3hrd h THR 246 N 0.00 1.10 0.05 -1.06 1.03 -1.92 -2.33 112.91 109.78 3hrd h THR 246 Ca -0.01 -0.50 -0.30 0.00 -0.01 0.00 0.00 66.41 65.60 3hrd h THR 246 Cb 1.56 1.27 -0.03 0.00 -1.07 0.00 0.00 68.15 69.88 3hrd h THR 246 CO 0.11 0.14 -1.62 0.24 -0.01 0.00 0.00 175.52 174.38 3hrd h MET 247 N 0.00 0.10 0.00 0.00 2.86 -1.57 -3.31 114.93 113.00 3hrd h MET 247 Ca -0.00 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3hrd h MET 247 Cb 0.26 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3hrd h MET 247 CO 0.02 0.81 0.00 0.93 1.06 0.00 0.00 176.91 179.73 3hrd h GLU 248 N 0.03 0.00 -0.01 1.72 5.08 -1.20 0.37 114.58 120.56 3hrd h GLU 248 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3hrd h GLU 248 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 3hrd h GLU 248 CO 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 179.01 178.10 3hrd n ALA 249 N -1.81 2.66 0.14 3.43 0.00 -0.92 -3.05 120.51 120.96 3hrd n ALA 249 Ca 0.01 -0.31 0.11 0.00 0.00 0.00 0.00 53.44 53.25 3hrd n ALA 249 Cb 0.19 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.22 3hrd n ALA 249 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hrd n THR 250 N -0.52 0.23 -0.15 0.00 -1.04 0.12 -4.43 114.28 108.50 3hrd n THR 250 Ca 0.20 -0.46 -0.04 0.00 -2.04 0.00 0.00 64.05 61.70 3hrd n THR 250 Cb 0.24 -0.05 0.02 0.00 -1.82 0.00 0.00 70.33 68.72 3hrd n THR 250 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3hrd h LEU 251 N 0.00 -0.74 -0.61 -4.42 4.07 -1.59 -2.33 115.31 109.69 3hrd h LEU 251 Ca 0.00 0.17 0.13 0.00 0.08 0.00 0.00 57.88 58.26 3hrd h LEU 251 Cb 0.95 0.41 -0.11 0.00 1.08 0.00 0.00 40.66 42.99 3hrd h LEU 251 CO 0.00 -0.24 -0.03 -0.65 -1.08 0.00 0.00 178.44 176.44 3hrd h PRO 252 N -0.11 0.09 0.02 1.13 0.11 -1.81 0.48 132.00 131.91 3hrd h PRO 252 Ca 0.22 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.35 3hrd h PRO 252 Cb 0.46 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.52 3hrd h PRO 252 CO -0.55 0.06 -0.14 0.82 -0.21 0.00 0.00 178.00 177.99 3hrd h ILE 253 N 0.09 0.67 -0.94 4.15 2.04 -1.70 0.63 117.51 122.45 3hrd h ILE 253 Ca 0.31 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.26 3hrd h ILE 253 Cb 0.50 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 3hrd h ILE 253 CO -0.54 0.00 0.59 -0.07 0.00 0.00 0.00 178.15 178.13 3hrd h LEU 254 N -0.24 0.90 0.43 1.44 3.38 -1.13 0.50 115.31 120.59 3hrd h LEU 254 Ca 0.04 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3hrd h LEU 254 Cb 0.29 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3hrd h LEU 254 CO -0.12 0.54 -0.24 -0.74 0.09 0.00 0.00 178.44 177.97 3hrd h HIS 255 N 1.01 -0.64 -0.02 1.13 2.76 -0.00 -2.17 115.15 117.23 3hrd h HIS 255 Ca 0.43 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.51 3hrd h HIS 255 Cb 0.29 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 3hrd h HIS 255 CO -0.02 -0.38 -0.37 -0.44 -1.30 0.00 0.00 177.93 175.42 3hrd h ASP 256 N -0.63 0.03 0.19 3.26 3.32 -0.38 -1.93 116.42 120.29 3hrd h ASP 256 Ca -0.05 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3hrd h ASP 256 Cb 0.51 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3hrd h ASP 256 CO 0.06 0.40 -0.10 0.74 -1.72 0.00 0.00 179.24 178.63 3hrd h THR 257 N 0.03 0.77 0.00 0.35 2.02 0.29 -1.21 112.91 115.16 3hrd h THR 257 Ca 0.00 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3hrd h THR 257 Cb 0.67 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3hrd h THR 257 CO 0.05 0.10 -0.05 0.58 0.37 0.00 0.00 175.52 176.56 3hrd h VAL 258 N 0.00 0.00 -1.29 3.16 2.07 -0.73 -2.23 116.25 117.23 3hrd h VAL 258 Ca -0.00 -0.31 0.37 0.00 0.82 0.00 0.00 66.70 67.59 3hrd h VAL 258 Cb 0.22 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.92 3hrd h VAL 258 CO 0.01 0.00 0.90 0.22 0.02 0.00 0.00 177.57 178.72 3hrd h TYR 259 N -0.31 0.20 0.00 1.57 3.20 -1.40 -1.22 116.97 119.01 3hrd h TYR 259 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3hrd h TYR 259 Cb 0.05 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3hrd h TYR 259 CO -0.02 -0.01 -0.44 -3.47 -1.64 0.00 0.00 178.16 172.57 3hrd n ASP 260 N -4.30 1.46 -1.54 -2.11 2.03 -0.46 -2.85 116.55 108.78 3hrd n ASP 260 Ca 0.30 0.54 -0.00 0.00 0.52 0.00 0.00 54.79 56.14 3hrd n ASP 260 Cb 1.30 -0.79 -0.01 0.00 -0.72 0.00 0.00 41.12 40.91 3hrd n ASP 260 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 3hrd n MET 261 N -4.14 1.00 0.00 -0.67 1.56 -0.84 -3.23 117.12 110.80 3hrd n MET 261 Ca -0.06 -0.04 0.00 0.00 -0.27 0.00 0.00 57.70 57.33 3hrd n MET 261 Cb 0.23 -1.06 0.00 0.00 2.15 0.00 0.00 33.22 34.54 3hrd n MET 261 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3hrd n ALA 262 N 1.56 0.00 0.05 -5.12 0.00 -0.48 -4.83 120.51 111.69 3hrd n ALA 262 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.27 3hrd n ALA 262 Cb 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.80 3hrd n ALA 262 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3hrd h ARG 263 N 0.00 0.27 0.37 0.00 2.43 -1.49 -3.39 114.38 112.57 3hrd h ARG 263 Ca 0.00 -0.46 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 3hrd h ARG 263 Cb 0.00 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3hrd h ARG 263 CO 0.00 1.13 -0.18 0.00 -1.51 0.00 0.00 179.97 179.42 3hrd h ALA 264 N 0.35 -0.49 -1.01 2.80 0.00 -1.89 -3.44 119.26 115.59 3hrd h ALA 264 Ca -0.31 -0.13 -0.80 0.00 0.00 0.00 0.00 54.91 53.67 3hrd h ALA 264 Cb 2.04 0.19 0.05 0.00 0.00 0.00 0.00 17.79 20.07 3hrd h ALA 264 CO 0.14 -0.74 0.12 0.54 0.00 0.00 0.00 179.25 179.31 3hrd n ARG 265 N -5.27 0.01 0.04 0.00 5.12 -1.26 -4.78 116.66 110.51 3hrd n ARG 265 Ca -0.11 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 55.90 3hrd n ARG 265 Cb 0.23 -1.51 0.34 0.00 -1.16 0.00 0.00 32.46 30.37 3hrd n ARG 265 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3hrd n PRO 266 N 1.72 0.05 0.08 5.56 -0.04 -1.26 -2.51 135.00 138.60 3hrd n PRO 266 Ca 0.21 0.32 -0.09 0.00 -0.04 0.00 0.00 63.50 63.90 3hrd n PRO 266 Cb 0.07 -1.60 -0.05 0.00 -0.04 0.00 0.00 33.50 31.88 3hrd n PRO 266 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3hrd h SER 267 N 0.00 0.19 -0.87 3.54 0.02 -1.93 -3.35 113.55 111.14 3hrd h SER 267 Ca 0.00 -0.17 0.15 0.00 -0.84 0.00 0.00 61.79 60.93 3hrd h SER 267 Cb 0.25 -0.06 -0.15 0.00 0.14 0.00 0.00 62.40 62.58 3hrd h SER 267 CO 0.00 1.04 -0.29 0.55 -1.14 0.00 0.00 176.83 176.99 3hrd n VAL 268 N -3.55 -0.42 -0.35 2.27 3.14 -1.05 -0.42 118.33 117.95 3hrd n VAL 268 Ca -0.03 2.01 0.03 0.00 -2.96 0.00 0.00 64.34 63.39 3hrd n VAL 268 Cb 0.87 -2.71 0.10 0.00 -1.06 0.00 0.00 33.84 31.05 3hrd n VAL 268 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3hrd h LEU 269 N 0.00 -1.05 0.00 6.55 3.38 -1.81 -0.87 115.31 121.51 3hrd h LEU 269 Ca 0.35 0.29 -0.03 0.00 0.09 0.00 0.00 57.88 58.59 3hrd h LEU 269 Cb 0.57 0.64 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 3hrd h LEU 269 CO -0.87 -0.31 -0.21 0.22 0.09 0.00 0.00 178.44 177.36 3hrd h TYR 270 N -0.01 0.00 -0.98 1.13 3.20 -1.01 -3.40 116.97 115.91 3hrd h TYR 270 Ca 0.42 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.47 3hrd h TYR 270 Cb 0.67 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.84 3hrd h TYR 270 CO -0.78 0.50 0.58 0.87 -1.64 0.00 0.00 178.16 177.70 3hrd h LYS 271 N -1.00 0.74 -0.23 1.82 1.57 -0.82 0.04 116.57 118.70 3hrd h LYS 271 Ca -0.04 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3hrd h LYS 271 Cb 0.55 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3hrd h LYS 271 CO -0.02 0.49 0.19 1.57 -0.57 0.00 0.00 179.45 181.11 3hrd h LYS 272 N 0.76 0.00 0.00 3.15 2.10 -1.36 0.83 116.57 122.05 3hrd h LYS 272 Ca 0.55 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 59.06 3hrd h LYS 272 Cb 0.82 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.13 3hrd h LYS 272 CO -0.37 0.00 -0.82 0.93 -2.00 0.00 0.00 179.45 177.19 3hrd h GLU 273 N 0.00 0.00 -0.70 0.07 4.39 -1.22 -3.39 114.58 113.73 3hrd h GLU 273 Ca 0.11 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 3hrd h GLU 273 Cb 0.49 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 3hrd h GLU 273 CO -0.00 0.81 0.41 0.66 -1.16 0.00 0.00 179.01 179.73 3hrd h SER 274 N -1.00 0.84 -0.60 1.42 4.64 -1.10 -2.24 113.55 115.51 3hrd h SER 274 Ca -0.21 -0.05 0.17 0.00 -0.47 0.00 0.00 61.79 61.23 3hrd h SER 274 Cb 1.06 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 3hrd h SER 274 CO -0.13 0.66 0.50 1.62 -0.87 0.00 0.00 176.83 178.61 3hrd h VAL 275 N 0.97 0.52 0.19 0.95 3.04 -1.02 -1.75 116.25 119.15 3hrd h VAL 275 Ca 0.25 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.93 3hrd h VAL 275 Cb -0.02 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 3hrd h VAL 275 CO -0.05 0.00 -0.09 1.56 -1.01 0.00 0.00 177.57 177.98 3hrd h GLN 276 N 0.00 -0.25 -0.84 4.17 4.20 -1.59 -2.53 115.11 118.26 3hrd h GLN 276 Ca 0.29 0.02 0.24 0.00 0.06 0.00 0.00 58.65 59.25 3hrd h GLN 276 Cb 1.28 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 29.08 3hrd h GLN 276 CO -0.00 0.10 0.60 0.78 -0.67 0.00 0.00 178.83 179.64 3hrd h GLY 277 N -0.95 0.06 0.49 3.46 0.00 -1.40 -0.36 103.07 104.38 3hrd h GLY 277 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3hrd h GLY 277 CO 0.04 -0.00 -0.19 -2.08 0.00 0.00 0.00 176.54 174.31 3hrd h VAL 278 N 0.03 0.28 -0.02 4.60 2.07 -1.36 -2.95 116.25 118.90 3hrd h VAL 278 Ca 0.40 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.28 3hrd h VAL 278 Cb 1.57 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3hrd h VAL 278 CO -0.02 0.06 0.03 -0.26 0.02 0.00 0.00 177.57 177.41 3hrd h PHE 279 N -1.05 0.00 -0.30 1.57 0.04 -0.86 0.72 116.94 117.05 3hrd h PHE 279 Ca -0.05 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.66 3hrd h PHE 279 Cb 0.51 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 3hrd h PHE 279 CO 0.02 0.00 -0.04 0.87 -0.60 0.00 0.00 178.31 178.56 3hrd h LYS 280 N 0.00 0.56 0.00 1.51 1.57 -1.12 0.29 116.57 119.38 3hrd h LYS 280 Ca 0.01 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3hrd h LYS 280 Cb 0.07 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3hrd h LYS 280 CO -0.00 0.73 -0.05 0.87 -0.57 0.00 0.00 179.45 180.43 3hrd h LYS 281 N 0.34 0.00 0.02 3.15 1.57 -0.72 -1.84 116.57 119.10 3hrd h LYS 281 Ca 0.08 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.66 3hrd h LYS 281 Cb 0.50 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.83 3hrd h LYS 281 CO 0.02 0.05 -0.82 -0.07 -0.57 0.00 0.00 179.45 178.07 3hrd h LEU 282 N 0.00 0.68 -0.91 2.94 3.38 -0.35 -2.74 115.31 118.30 3hrd h LEU 282 Ca -0.00 -0.78 0.06 0.00 0.09 0.00 0.00 57.88 57.25 3hrd h LEU 282 Cb 0.10 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3hrd h LEU 282 CO 0.01 1.37 0.58 -0.26 0.09 0.00 0.00 178.44 180.23 3hrd h PHE 283 N 0.06 1.07 0.10 1.13 0.04 0.31 0.51 116.94 120.16 3hrd h PHE 283 Ca -0.11 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 3hrd h PHE 283 Cb 1.52 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 39.32 3hrd h PHE 283 CO 0.14 0.56 -0.05 0.28 -0.60 0.00 0.00 178.31 178.63 3hrd h VAL 284 N 1.06 0.97 -0.04 -0.55 2.07 -1.41 0.20 116.25 118.55 3hrd h VAL 284 Ca 0.39 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.69 3hrd h VAL 284 Cb 0.15 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3hrd h VAL 284 CO -0.17 0.06 -0.26 -0.78 0.02 0.00 0.00 177.57 176.45 3hrd h ASP 285 N -0.25 -0.77 -0.74 0.57 3.58 -1.07 -0.88 116.42 116.86 3hrd h ASP 285 Ca -0.01 0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.55 3hrd h ASP 285 Cb 0.21 0.32 -0.04 0.00 1.72 0.00 0.00 39.33 41.54 3hrd h ASP 285 CO 0.02 -0.32 0.49 0.40 -2.88 0.00 0.00 179.24 176.96 3hrd h ILE 286 N -0.37 1.19 0.23 2.25 1.08 -0.83 -2.63 117.51 118.43 3hrd h ILE 286 Ca 0.07 -0.34 -0.00 0.00 -0.39 0.00 0.00 64.86 64.20 3hrd h ILE 286 Cb 0.48 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 3hrd h ILE 286 CO -0.25 0.18 -0.16 0.25 -0.69 0.00 0.00 178.15 177.48 3hrd h LEU 287 N 1.00 -0.42 -0.53 1.44 5.85 0.50 -2.74 115.31 120.41 3hrd h LEU 287 Ca 0.27 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.05 3hrd h LEU 287 Cb -0.11 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3hrd h LEU 287 CO -0.06 -0.26 0.31 0.44 -0.34 0.00 0.00 178.44 178.54 3hrd h ASP 288 N -0.40 0.50 -0.97 1.25 5.19 -0.99 -0.07 116.42 120.93 3hrd h ASP 288 Ca -0.02 0.01 0.12 0.00 -0.62 0.00 0.00 57.03 56.52 3hrd h ASP 288 Cb 0.34 -0.10 -0.08 0.00 0.18 0.00 0.00 39.33 39.68 3hrd h ASP 288 CO 0.01 0.35 0.61 1.56 -3.12 0.00 0.00 179.24 178.65 3hrd h GLN 289 N 0.62 0.89 0.00 3.56 4.20 -1.33 -3.27 115.11 119.78 3hrd h GLN 289 Ca 0.22 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3hrd h GLN 289 Cb 0.04 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3hrd h GLN 289 CO -0.11 0.59 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.49 3hrd h LEU 290 N 0.92 0.00 0.00 1.46 3.38 -1.17 -3.48 115.31 116.42 3hrd h LEU 290 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 3hrd h LEU 290 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3hrd h LEU 290 CO -0.24 0.25 0.00 -0.62 0.09 0.00 0.00 178.44 177.92 3hrd n GLU 291 N -3.21 1.18 0.00 1.13 1.02 -0.07 -5.12 120.64 115.57 3hrd n GLU 291 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3hrd n GLU 291 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.46 3hrd n GLU 291 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72