#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrd n LYS 2 N 0.00 1.66 -2.01 3.17 4.81 -1.26 -4.94 118.16 119.59 3hrd n LYS 2 Ca 0.00 0.58 -0.34 0.00 -0.87 0.00 0.00 58.31 57.69 3hrd n LYS 2 Cb 0.00 -2.05 0.02 0.00 0.02 0.00 0.00 35.03 33.02 3hrd n LYS 2 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3hrd s ASP 3 N -0.39 5.49 -0.17 3.14 1.11 -1.26 -5.03 116.67 119.56 3hrd s ASP 3 Ca 0.59 2.02 -0.32 0.00 0.18 0.00 0.00 52.55 55.01 3hrd s ASP 3 Cb -0.66 -2.56 0.14 0.00 1.07 0.00 0.00 42.92 40.91 3hrd s ASP 3 CO 0.60 -1.37 1.14 0.72 1.18 0.00 0.00 175.17 177.44 3hrd s PHE 4 N -2.16 -0.20 0.14 4.23 -0.12 -1.26 -4.70 117.98 113.92 3hrd s PHE 4 Ca 0.68 0.19 -0.27 0.00 -0.05 0.00 0.00 56.93 57.49 3hrd s PHE 4 Cb -0.20 0.50 -0.07 0.00 -0.63 0.00 0.00 43.02 42.62 3hrd s PHE 4 CO 0.35 -0.26 0.83 -2.00 -0.05 0.00 0.00 175.22 174.08 3hrd s GLU 5 N -2.13 4.61 -0.20 1.99 2.56 0.06 -4.92 118.70 120.67 3hrd s GLU 5 Ca 0.07 1.23 0.01 0.00 0.00 0.00 0.00 54.97 56.28 3hrd s GLU 5 Cb -0.01 -3.31 0.03 0.00 2.00 0.00 0.00 34.13 32.84 3hrd s GLU 5 CO -0.05 0.43 -0.17 0.12 -0.56 0.00 0.00 175.26 175.04 3hrd s PHE 6 N -0.68 2.84 0.10 5.30 5.36 -1.26 -0.29 117.98 129.34 3hrd s PHE 6 Ca 0.39 -1.79 0.08 0.00 -0.96 0.00 0.00 56.93 54.65 3hrd s PHE 6 Cb -0.23 -1.88 -0.04 0.00 -0.34 0.00 0.00 43.02 40.53 3hrd s PHE 6 CO 0.27 -0.81 -0.18 -0.06 -1.46 0.00 0.00 175.22 172.98 3hrd s PHE 7 N 1.26 2.55 -0.42 10.12 0.40 -0.09 -5.00 117.98 126.79 3hrd s PHE 7 Ca 0.01 -0.26 0.06 0.00 -0.60 0.00 0.00 56.93 56.14 3hrd s PHE 7 Cb -0.15 -1.38 0.21 0.00 0.51 0.00 0.00 43.02 42.21 3hrd s PHE 7 CO -0.11 0.35 0.45 0.00 0.70 0.00 0.00 175.22 176.62 3hrd n ALA 8 N 0.98 2.74 -1.60 5.36 0.00 -1.26 -0.14 120.51 126.59 3hrd n ALA 8 Ca -0.16 -3.37 -0.40 0.00 0.00 0.00 0.00 53.44 49.51 3hrd n ALA 8 Cb 0.53 -0.80 0.02 0.00 0.00 0.00 0.00 19.45 19.20 3hrd n ALA 8 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hrd n PRO 9 N 2.07 1.22 0.00 0.00 -0.04 -1.24 -4.93 135.00 132.08 3hrd n PRO 9 Ca 0.26 0.44 0.11 0.00 -0.04 0.00 0.00 63.50 64.27 3hrd n PRO 9 Cb 0.49 -2.05 0.04 0.00 -0.04 0.00 0.00 33.50 31.94 3hrd n PRO 9 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3hrd n LYS 10 N -0.09 0.06 -4.10 0.54 5.02 -1.26 -4.59 118.16 113.74 3hrd n LYS 10 Ca 0.10 -0.01 -0.07 0.00 -2.02 0.00 0.00 58.31 56.31 3hrd n LYS 10 Cb 0.41 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 3hrd n LYS 10 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3hrd s THR 11 N -3.05 0.22 0.35 -0.18 -4.23 -1.26 -4.78 115.64 102.72 3hrd s THR 11 Ca 0.08 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 3hrd s THR 11 Cb 0.16 -1.57 0.23 0.00 1.34 0.00 0.00 72.50 72.66 3hrd s THR 11 CO 0.80 -0.95 1.97 0.25 -0.54 0.00 0.00 174.62 176.15 3hrd h LEU 12 N 3.12 0.66 -0.20 4.79 6.46 -1.98 -2.03 115.31 126.13 3hrd h LEU 12 Ca -0.34 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.36 3hrd h LEU 12 Cb 1.15 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 3hrd h LEU 12 CO 0.65 0.53 0.09 -0.08 -0.62 0.00 0.00 178.44 179.02 3hrd h GLU 13 N 0.75 0.29 -0.69 1.25 4.57 -1.99 -0.30 114.58 118.46 3hrd h GLU 13 Ca 0.19 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 3hrd h GLU 13 Cb 0.03 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 3hrd h GLU 13 CO -0.03 0.33 0.32 0.93 -1.18 0.00 0.00 179.01 179.38 3hrd h GLU 14 N 0.18 0.98 -0.37 1.92 5.08 -1.89 -0.37 114.58 120.11 3hrd h GLU 14 Ca 0.07 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3hrd h GLU 14 Cb 0.14 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3hrd h GLU 14 CO -0.01 0.76 0.07 0.00 -1.00 0.00 0.00 179.01 178.83 3hrd h ALA 15 N 1.38 0.49 -0.79 3.43 0.00 -1.00 -0.50 119.26 122.27 3hrd h ALA 15 Ca 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hrd h ALA 15 Cb 0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3hrd h ALA 15 CO -0.03 0.18 0.46 0.87 0.00 0.00 0.00 179.25 180.74 3hrd h LYS 16 N 0.45 1.08 -0.65 0.00 1.57 -0.69 0.11 116.57 118.43 3hrd h LYS 16 Ca 0.11 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3hrd h LYS 16 Cb 0.35 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3hrd h LYS 16 CO 0.01 0.77 0.36 0.78 -0.57 0.00 0.00 179.45 180.79 3hrd h GLY 17 N 1.08 0.97 0.75 3.86 0.00 -0.74 -0.69 103.07 108.30 3hrd h GLY 17 Ca 0.28 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3hrd h GLY 17 CO -0.05 0.42 0.01 1.41 0.00 0.00 0.00 176.54 178.32 3hrd h LEU 18 N 0.88 0.07 -0.83 3.11 3.38 -0.59 -0.45 115.31 120.89 3hrd h LEU 18 Ca 0.23 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 58.04 3hrd h LEU 18 Cb 0.04 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 3hrd h LEU 18 CO -0.04 0.33 0.46 -0.07 0.09 0.00 0.00 178.44 179.21 3hrd h LEU 19 N -0.18 0.62 -0.15 1.67 3.38 -0.57 -1.26 115.31 118.83 3hrd h LEU 19 Ca 0.01 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3hrd h LEU 19 Cb 0.28 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hrd h LEU 19 CO 0.00 0.33 -0.02 -0.74 0.09 0.00 0.00 178.44 178.10 3hrd h HIS 20 N 0.73 0.30 -0.48 1.13 2.76 -0.94 -0.92 115.15 117.72 3hrd h HIS 20 Ca 0.42 -0.06 0.06 0.00 -2.20 0.00 0.00 60.37 58.59 3hrd h HIS 20 Cb 0.46 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.29 3hrd h HIS 20 CO -0.07 0.52 0.17 0.37 -1.30 0.00 0.00 177.93 177.63 3hrd h GLN 21 N -0.01 0.34 -0.59 5.26 4.15 -0.39 -2.66 115.11 121.21 3hrd h GLN 21 Ca 0.04 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3hrd h GLN 21 Cb 0.42 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.03 3hrd h GLN 21 CO 0.01 0.23 0.00 0.66 -1.93 0.00 0.00 178.83 177.80 3hrd n TYR 22 N -5.00 2.03 0.30 3.99 4.01 -0.54 -4.58 117.16 117.37 3hrd n TYR 22 Ca 0.05 -0.71 0.19 0.00 -0.16 0.00 0.00 57.90 57.26 3hrd n TYR 22 Cb 0.19 -0.49 1.01 0.00 -0.31 0.00 0.00 39.34 39.74 3hrd n TYR 22 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3hrd h LYS 23 N 4.03 0.00 -0.01 -0.72 2.10 -0.79 -1.23 116.57 119.95 3hrd h LYS 23 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hrd h LYS 23 Cb 1.93 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.26 3hrd h LYS 23 CO 0.47 0.00 -0.24 -0.25 -2.00 0.00 0.00 179.45 177.42 3hrd n ASP 24 N -3.45 1.54 0.08 7.07 8.00 -1.26 -4.42 116.55 124.12 3hrd n ASP 24 Ca -0.02 -1.26 -0.13 0.00 0.71 0.00 0.00 54.79 54.09 3hrd n ASP 24 Cb 0.16 0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 41.37 3hrd n ASP 24 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hrd h VAL 25 N 2.03 0.97 -2.10 2.53 2.07 -1.59 -3.48 116.25 116.69 3hrd h VAL 25 Ca 0.00 -0.42 -0.47 0.00 0.82 0.00 0.00 66.70 66.63 3hrd h VAL 25 Cb 0.61 1.23 0.08 0.00 -1.52 0.00 0.00 31.29 31.70 3hrd h VAL 25 CO 0.00 0.10 0.10 -2.16 0.02 0.00 0.00 177.57 175.63 3hrd s PRO 26 N -5.36 1.70 0.58 1.57 0.04 -1.26 -4.97 135.00 127.30 3hrd s PRO 26 Ca -0.14 -1.13 -0.09 0.00 0.04 0.00 0.00 61.00 59.67 3hrd s PRO 26 Cb 0.04 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 3hrd s PRO 26 CO 0.64 -1.42 0.95 -1.25 0.04 0.00 0.00 177.00 175.95 3hrd s PRO 27 N -5.12 3.48 -0.26 0.56 0.04 -1.02 -4.63 135.00 128.05 3hrd s PRO 27 Ca 0.66 0.50 0.02 0.00 0.04 0.00 0.00 61.00 62.22 3hrd s PRO 27 Cb -0.05 -2.18 0.07 0.00 0.04 0.00 0.00 34.50 32.37 3hrd s PRO 27 CO 0.44 -0.50 -0.04 0.00 0.04 0.00 0.00 177.00 176.94 3hrd s ALA 28 N -3.04 2.25 0.52 8.56 0.00 -0.02 -5.02 121.76 125.01 3hrd s ALA 28 Ca 0.53 -1.67 -0.19 0.00 0.00 0.00 0.00 51.96 50.62 3hrd s ALA 28 Cb -0.11 -1.57 -0.07 0.00 0.00 0.00 0.00 23.12 21.37 3hrd s ALA 28 CO 0.50 -1.30 1.07 0.42 0.00 0.00 0.00 175.76 176.45 3hrd s ILE 29 N 1.25 3.60 -0.02 0.00 1.01 -1.26 -0.68 121.20 125.09 3hrd s ILE 29 Ca -0.03 0.95 -0.00 0.00 0.00 0.00 0.00 60.65 61.57 3hrd s ILE 29 Cb -0.19 -3.38 0.03 0.00 0.01 0.00 0.00 42.46 38.92 3hrd s ILE 29 CO -0.07 -0.25 0.03 -0.51 0.00 0.00 0.00 174.94 174.13 3hrd s ILE 30 N -1.99 -0.03 0.00 2.92 2.07 -0.07 -4.81 121.20 119.28 3hrd s ILE 30 Ca 0.68 0.23 0.00 0.00 -1.41 0.00 0.00 60.65 60.15 3hrd s ILE 30 Cb -0.19 -0.11 0.00 0.00 0.13 0.00 0.00 42.46 42.29 3hrd s ILE 30 CO 0.25 0.11 0.00 0.00 -1.91 0.00 0.00 174.94 173.38 3hrd n ALA 31 N 4.32 0.00 0.27 1.50 0.00 -1.26 -1.53 120.51 123.81 3hrd n ALA 31 Ca -0.25 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.35 3hrd n ALA 31 Cb 0.50 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.65 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 0.00 0.00 0.00 0.00 -1.95 -3.44 103.07 97.68 3hrd h GLY 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hrd h GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3hrd n GLY 33 N -0.09 0.73 0.09 4.60 0.00 -1.26 -4.76 105.19 104.50 3hrd n GLY 33 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.06 1.24 -0.04 2.61 -2.24 -1.26 -1.87 114.28 110.65 3hrd n THR 34 Ca 0.00 0.48 -0.08 0.00 -2.27 0.00 0.00 64.05 62.17 3hrd n THR 34 Cb 0.01 -1.42 -0.03 0.00 -2.10 0.00 0.00 70.33 66.79 3hrd n THR 34 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hrd n ASP 35 N -1.93 1.45 0.25 3.42 8.00 -1.26 -4.72 116.55 121.77 3hrd n ASP 35 Ca 0.01 0.23 -0.16 0.00 0.71 0.00 0.00 54.79 55.58 3hrd n ASP 35 Cb 0.09 -0.54 -0.08 0.00 -0.02 0.00 0.00 41.12 40.58 3hrd n ASP 35 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3hrd h LEU 36 N -0.56 -0.77 -1.01 0.64 5.85 -1.95 -1.59 115.31 115.92 3hrd h LEU 36 Ca -0.11 0.06 0.21 0.00 0.84 0.00 0.00 57.88 58.88 3hrd h LEU 36 Cb 0.77 0.24 -0.11 0.00 0.37 0.00 0.00 40.66 41.93 3hrd h LEU 36 CO -0.06 -0.45 0.61 0.58 -0.34 0.00 0.00 178.44 178.77 3hrd h VAL 37 N -0.70 0.65 -0.28 1.05 2.07 -1.70 0.27 116.25 117.62 3hrd h VAL 37 Ca -0.04 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 3hrd h VAL 37 Cb 0.59 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3hrd h VAL 37 CO 0.01 0.13 -0.32 0.40 0.02 0.00 0.00 177.57 177.81 3hrd h ILE 38 N 0.70 1.30 -0.68 4.57 2.04 -1.69 0.98 117.51 124.74 3hrd h ILE 38 Ca 0.60 -1.49 0.03 0.00 1.00 0.00 0.00 64.86 64.99 3hrd h ILE 38 Cb 1.01 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.66 3hrd h ILE 38 CO -0.41 0.48 0.45 -0.33 0.00 0.00 0.00 178.15 178.34 3hrd h GLU 39 N 0.45 0.81 -0.05 2.37 5.08 0.08 0.13 114.58 123.45 3hrd h GLU 39 Ca 0.04 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 3hrd h GLU 39 Cb 0.89 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3hrd h GLU 39 CO 0.08 0.54 -0.29 0.82 -1.00 0.00 0.00 179.01 179.16 3hrd h ILE 40 N 0.84 1.46 -0.78 3.13 2.04 -0.35 1.12 117.51 124.96 3hrd h ILE 40 Ca 0.26 -1.76 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 3hrd h ILE 40 Cb 0.02 2.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 3hrd h ILE 40 CO -0.07 0.50 0.45 -1.13 0.00 0.00 0.00 178.15 177.90 3hrd h ASN 41 N -0.27 0.96 -0.13 1.72 -0.73 -0.43 -0.55 115.58 116.15 3hrd h ASN 41 Ca -0.02 -0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.07 3hrd h ASN 41 Cb 0.96 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.31 3hrd h ASN 41 CO 0.06 0.76 0.00 0.47 -0.37 0.00 0.00 177.43 178.35 3hrd n ASP 42 N -4.46 0.80 -1.87 1.15 8.00 0.41 -4.90 116.55 115.69 3hrd n ASP 42 Ca 0.07 -1.83 -0.19 0.00 0.71 0.00 0.00 54.79 53.55 3hrd n ASP 42 Cb 0.07 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 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 -0.14 -1.45 0.17 -1.24 1.74 -0.21 -4.88 116.66 110.65 3hrd n ARG 43 Ca 0.09 1.05 0.09 0.00 -0.77 0.00 0.00 57.85 58.31 3hrd n ARG 43 Cb 0.15 -5.50 0.09 0.00 -1.02 0.00 0.00 32.46 26.18 3hrd n ARG 43 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3hrd h TRP 44 N 0.00 0.00 -3.57 -1.55 6.55 0.10 -3.44 115.95 114.04 3hrd h TRP 44 Ca -0.43 0.00 -0.52 0.00 0.95 0.00 0.00 58.89 58.89 3hrd h TRP 44 Cb 1.30 0.00 -0.33 0.00 -0.86 0.00 0.00 29.16 29.28 3hrd h TRP 44 CO 0.53 0.16 -0.82 -1.21 -1.05 0.00 0.00 178.44 176.05 3hrd s GLU 45 N -3.15 1.66 -0.60 0.49 0.41 -0.39 -4.97 118.70 112.15 3hrd s GLU 45 Ca 0.05 -0.45 0.05 0.00 -0.41 0.00 0.00 54.97 54.20 3hrd s GLU 45 Cb 0.07 -1.40 0.19 0.00 -1.78 0.00 0.00 34.13 31.21 3hrd s GLU 45 CO 0.72 0.09 0.50 1.63 -0.49 0.00 0.00 175.26 177.70 3hrd n LYS 46 N 3.60 1.44 -2.14 1.61 5.02 -1.26 -4.21 118.16 122.22 3hrd n LYS 46 Ca -0.21 -4.09 -0.33 0.00 -2.02 0.00 0.00 58.31 51.66 3hrd n LYS 46 Cb 0.52 -2.04 -0.00 0.00 -0.02 0.00 0.00 35.03 33.49 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 -1.22 3.46 -0.01 1.97 0.04 -1.26 -4.97 135.00 132.99 3hrd s PRO 47 Ca 0.30 1.18 0.10 0.00 0.04 0.00 0.00 61.00 62.63 3hrd s PRO 47 Cb 0.03 -2.05 -0.15 0.00 0.04 0.00 0.00 34.50 32.36 3hrd s PRO 47 CO -0.15 -0.70 0.24 -0.25 0.04 0.00 0.00 177.00 176.18 3hrd n ASP 48 N -1.86 2.53 -3.67 6.66 8.00 -1.26 -4.65 116.55 122.30 3hrd n ASP 48 Ca 0.08 -0.05 -0.18 0.00 0.71 0.00 0.00 54.79 55.36 3hrd n ASP 48 Cb 0.53 1.44 -0.16 0.00 -0.02 0.00 0.00 41.12 42.90 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 -2.66 -0.21 -0.13 2.53 1.01 -1.26 -0.76 120.40 118.92 3hrd s VAL 49 Ca -0.03 0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 3hrd s VAL 49 Cb 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.18 3hrd s VAL 49 CO 0.42 0.16 -0.09 -0.69 0.00 0.00 0.00 175.10 174.90 3hrd s VAL 50 N 2.25 3.43 -0.33 2.92 1.01 0.60 -0.84 120.40 129.44 3hrd s VAL 50 Ca 0.04 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3hrd s VAL 50 Cb -0.12 -2.46 0.08 0.00 0.00 0.00 0.00 36.38 33.88 3hrd s VAL 50 CO -0.05 0.52 0.04 -0.63 0.00 0.00 0.00 175.10 174.98 3hrd s ILE 51 N 0.25 2.63 -0.10 2.22 1.01 0.14 -0.91 121.20 126.45 3hrd s ILE 51 Ca -0.06 -1.94 -0.29 0.00 0.00 0.00 0.00 60.65 58.36 3hrd s ILE 51 Cb -0.15 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 3hrd s ILE 51 CO 0.04 -0.40 0.96 -0.62 0.00 0.00 0.00 174.94 174.92 3hrd s ASP 52 N 1.23 7.21 -0.05 3.58 2.15 0.80 -0.89 116.67 130.69 3hrd s ASP 52 Ca 0.03 1.48 0.10 0.00 0.43 0.00 0.00 52.55 54.59 3hrd s ASP 52 Cb -0.20 -2.53 0.28 0.00 -0.30 0.00 0.00 42.92 40.17 3hrd s ASP 52 CO -0.05 -0.39 1.22 2.30 -0.17 0.00 0.00 175.17 178.08 3hrd n ILE 53 N 4.43 1.36 0.32 4.11 -5.35 -0.58 -3.73 119.36 119.90 3hrd n ILE 53 Ca 0.07 -1.30 0.21 0.00 -0.27 0.00 0.00 62.75 61.45 3hrd n ILE 53 Cb 0.49 0.27 1.03 0.00 -1.74 0.00 0.00 39.64 39.70 3hrd n ILE 53 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 3hrd h LYS 54 N 1.34 0.00 -0.00 6.28 1.79 -1.86 -1.56 116.57 122.56 3hrd h LYS 54 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3hrd h LYS 54 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 3hrd h LYS 54 CO 0.05 0.00 -0.00 1.63 -1.08 0.00 0.00 179.45 180.04 3hrd n LYS 55 N -3.02 0.29 -1.62 3.15 5.02 -1.26 -4.32 118.16 116.40 3hrd n LYS 55 Ca -0.02 -0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.87 3hrd n LYS 55 Cb 0.14 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.35 8.11 0.10 -0.35 4.77 -0.59 -4.69 117.00 123.01 3hrd n LEU 56 Ca 0.12 -4.47 0.20 0.00 -0.03 0.00 0.00 56.01 51.83 3hrd n LEU 56 Cb 0.27 -1.53 0.70 0.00 -2.33 0.00 0.00 43.42 40.54 3hrd n LEU 56 CO 0.24 1.85 1.18 0.11 -1.33 0.00 0.00 177.39 179.44 3hrd h LYS 57 N 5.14 0.00 0.00 3.23 1.79 -1.85 0.17 116.57 125.05 3hrd h LYS 57 Ca 0.75 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.22 3hrd h LYS 57 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 3hrd h LYS 57 CO 1.72 0.00 0.00 1.05 -1.08 0.00 0.00 179.45 181.14 3hrd h GLU 58 N 0.00 0.00 -0.07 3.15 4.11 -1.97 -0.47 114.58 119.33 3hrd h GLU 58 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 3hrd h GLU 58 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3hrd h GLU 58 CO -0.00 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.36 3hrd n LEU 59 N -3.05 1.62 -4.36 3.06 4.32 0.59 -4.69 117.00 114.49 3hrd n LEU 59 Ca -0.02 -0.59 -0.45 0.00 -0.02 0.00 0.00 56.01 54.93 3hrd n LEU 59 Cb 0.13 -0.04 -0.07 0.00 -1.62 0.00 0.00 43.42 41.83 3hrd n LEU 59 CO 0.21 0.29 0.07 -1.61 -1.22 0.00 0.00 177.39 175.14 3hrd s GLU 60 N -1.93 2.98 -0.05 3.23 2.02 -0.19 -2.21 118.70 122.55 3hrd s GLU 60 Ca 0.36 -1.47 -0.30 0.00 0.02 0.00 0.00 54.97 53.58 3hrd s GLU 60 Cb 0.20 -4.19 0.11 0.00 0.10 0.00 0.00 34.13 30.35 3hrd s GLU 60 CO 0.31 -1.13 0.93 1.52 0.02 0.00 0.00 175.26 176.91 3hrd s TYR 61 N 1.64 -0.34 -0.24 1.61 1.13 -1.26 -4.96 117.35 114.92 3hrd s TYR 61 Ca 0.04 0.32 -0.03 0.00 -1.41 0.00 0.00 57.07 55.98 3hrd s TYR 61 Cb -0.26 0.51 0.08 0.00 -1.10 0.00 0.00 41.96 41.19 3hrd s TYR 61 CO 0.05 -0.48 0.09 0.42 -2.51 0.00 0.00 175.55 173.13 3hrd s ILE 62 N -2.57 0.21 -0.34 -3.49 1.01 -1.26 -1.25 121.20 113.50 3hrd s ILE 62 Ca 0.03 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 3hrd s ILE 62 Cb -0.01 -1.00 0.04 0.00 0.01 0.00 0.00 42.46 41.50 3hrd s ILE 62 CO -0.06 -0.49 0.12 -0.13 0.00 0.00 0.00 174.94 174.37 3hrd s ARG 63 N 1.98 2.66 -0.42 2.79 0.52 -0.45 -5.00 118.95 121.03 3hrd s ARG 63 Ca 0.05 -1.16 -0.21 0.00 -0.52 0.00 0.00 55.73 53.90 3hrd s ARG 63 Cb -0.16 -3.49 0.02 0.00 0.52 0.00 0.00 34.95 31.83 3hrd s ARG 63 CO -0.22 -0.66 0.66 0.08 0.02 0.00 0.00 175.30 175.18 3hrd s VAL 64 N 1.43 4.82 0.22 3.52 1.01 -1.26 -1.49 120.40 128.65 3hrd s VAL 64 Ca -0.01 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.24 3hrd s VAL 64 Cb -0.19 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.04 3hrd s VAL 64 CO 0.03 -0.54 0.31 -0.62 0.00 0.00 0.00 175.10 174.28 3hrd n GLU 65 N 6.26 0.57 -0.11 2.72 -0.58 -0.04 -5.03 120.64 124.43 3hrd n GLU 65 Ca -0.01 -0.97 -0.10 0.00 -0.42 0.00 0.00 57.16 55.66 3hrd n GLU 65 Cb 0.48 -0.17 -0.03 0.00 -0.57 0.00 0.00 31.44 31.16 3hrd n GLU 65 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3hrd h GLU 66 N 0.00 0.54 0.00 3.49 4.81 -2.02 -3.38 114.58 118.03 3hrd h GLU 66 Ca -0.10 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3hrd h GLU 66 Cb 0.41 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3hrd h GLU 66 CO 0.12 0.63 -0.37 0.09 -0.73 0.00 0.00 179.01 178.76 3hrd n ASN 67 N -4.60 1.84 -4.32 1.04 3.02 -1.26 -4.85 115.26 106.12 3hrd n ASN 67 Ca -0.02 -0.31 -0.17 0.00 -0.03 0.00 0.00 54.58 54.05 3hrd n ASN 67 Cb 0.22 0.99 -0.10 0.00 -0.61 0.00 0.00 39.78 40.28 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 -1.35 1.41 -0.13 3.41 -4.23 -1.26 0.11 115.64 113.59 3hrd s THR 68 Ca 0.00 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 3hrd s THR 68 Cb 0.00 -2.09 0.02 0.00 1.34 0.00 0.00 72.50 71.77 3hrd s THR 68 CO 0.00 -0.55 -0.13 -0.63 -0.54 0.00 0.00 174.62 172.77 3hrd s ILE 69 N -3.18 1.43 -0.24 2.99 1.01 0.13 -0.86 121.20 122.48 3hrd s ILE 69 Ca 0.23 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 3hrd s ILE 69 Cb 0.02 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 3hrd s ILE 69 CO 0.06 0.43 0.04 -1.00 0.00 0.00 0.00 174.94 174.47 3hrd s HIS 70 N 1.42 3.05 -0.20 3.97 3.76 -0.56 -1.36 115.29 125.37 3hrd s HIS 70 Ca 0.02 -0.57 -0.02 0.00 -0.15 0.00 0.00 55.06 54.34 3hrd s HIS 70 Cb -0.13 -2.20 0.00 0.00 1.11 0.00 0.00 32.58 31.36 3hrd s HIS 70 CO -0.08 -0.41 -0.10 0.42 -0.85 0.00 0.00 174.74 173.71 3hrd s ILE 71 N 1.58 2.87 0.44 0.60 1.01 0.15 -1.34 121.20 126.51 3hrd s ILE 71 Ca 0.06 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 59.79 3hrd s ILE 71 Cb -0.15 -2.27 -0.09 0.00 0.01 0.00 0.00 42.46 39.96 3hrd s ILE 71 CO 0.02 0.47 1.44 -0.83 0.00 0.00 0.00 174.94 176.04 3hrd s GLY 72 N 1.36 2.92 0.44 6.18 0.00 -0.38 -0.02 107.32 117.82 3hrd s GLY 72 Ca 0.05 1.49 0.15 0.00 0.00 0.00 0.00 44.72 46.41 3hrd s GLY 72 CO -0.06 2.11 1.96 0.00 0.00 0.00 0.00 173.10 177.11 3hrd h ALA 73 N 2.42 2.09 -0.01 3.20 0.00 -0.90 -1.49 119.26 124.58 3hrd h ALA 73 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3hrd h ALA 73 Cb 1.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3hrd h ALA 73 CO 0.62 -0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.90 3hrd n LEU 74 N -4.46 0.24 -4.70 0.00 4.77 -0.94 -0.86 117.00 111.05 3hrd n LEU 74 Ca 0.11 -0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 3hrd n LEU 74 Cb 0.44 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3hrd n LEU 74 CO 0.34 0.04 1.41 -0.44 -1.33 0.00 0.00 177.39 177.41 3hrd s SER 75 N -1.92 6.46 0.64 -1.43 0.01 -0.56 -4.75 113.70 112.15 3hrd s SER 75 Ca 0.43 2.72 -0.11 0.00 1.31 0.00 0.00 55.95 60.30 3hrd s SER 75 Cb 0.20 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 3hrd s SER 75 CO 0.34 -0.96 1.04 0.42 0.41 0.00 0.00 173.24 174.49 3hrd s THR 76 N 2.29 4.35 0.42 1.44 -4.23 -1.26 -1.59 115.64 117.06 3hrd s THR 76 Ca 0.78 0.73 0.20 0.00 -1.18 0.00 0.00 61.69 62.22 3hrd s THR 76 Cb -0.45 -3.75 0.22 0.00 1.34 0.00 0.00 72.50 69.85 3hrd s THR 76 CO 0.34 -0.98 2.00 -0.26 -0.54 0.00 0.00 174.62 175.18 3hrd h PHE 77 N -0.39 0.00 -0.36 3.99 0.04 -1.12 -1.31 116.94 117.78 3hrd h PHE 77 Ca -0.44 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.27 3hrd h PHE 77 Cb 1.21 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.35 3hrd h PHE 77 CO 0.61 0.18 0.01 1.15 -0.60 0.00 0.00 178.31 179.67 3hrd h THR 78 N 0.00 1.25 -0.30 -1.55 2.02 -1.69 0.46 112.91 113.10 3hrd h THR 78 Ca -0.00 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.18 3hrd h THR 78 Cb 0.38 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 3hrd h THR 78 CO 0.02 0.32 -0.03 1.56 0.37 0.00 0.00 175.52 177.76 3hrd h GLN 79 N 0.45 0.48 -0.08 6.66 4.20 -1.68 -2.01 115.11 123.13 3hrd h GLN 79 Ca 0.10 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3hrd h GLN 79 Cb 0.44 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 3hrd h GLN 79 CO 0.02 0.53 -0.13 0.82 -0.67 0.00 0.00 178.83 179.40 3hrd h ILE 80 N 0.45 1.39 0.00 2.54 2.04 -0.80 -2.85 117.51 120.29 3hrd h ILE 80 Ca 0.10 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 3hrd h ILE 80 Cb 0.35 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 3hrd h ILE 80 CO 0.01 0.39 -0.17 1.05 0.00 0.00 0.00 178.15 179.43 3hrd h GLU 81 N -0.23 0.00 0.00 2.37 4.11 -0.85 -2.95 114.58 117.03 3hrd h GLU 81 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 3hrd h GLU 81 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3hrd h GLU 81 CO 0.03 0.17 -0.36 0.09 0.07 0.00 0.00 179.01 179.01 3hrd n ASN 82 N -3.36 0.45 -4.63 3.06 3.02 -0.76 -4.58 115.26 108.45 3hrd n ASN 82 Ca -0.00 0.10 -0.43 0.00 -0.03 0.00 0.00 54.58 54.22 3hrd n ASN 82 Cb 0.39 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.48 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 -3.05 2.10 0.31 3.10 2.46 -1.08 -4.91 115.29 114.23 3hrd s HIS 83 Ca 0.11 0.53 0.07 0.00 0.47 0.00 0.00 55.06 56.24 3hrd s HIS 83 Cb 0.16 -3.97 0.83 0.00 -0.13 0.00 0.00 32.58 29.47 3hrd s HIS 83 CO 0.65 -2.98 1.71 -1.00 -2.47 0.00 0.00 174.74 170.65 3hrd h PRO 84 N 10.64 0.49 -0.24 2.88 0.13 -1.90 0.21 132.00 144.21 3hrd h PRO 84 Ca -0.34 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.67 3hrd h PRO 84 Cb 1.15 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 3hrd h PRO 84 CO 1.00 0.32 -0.22 0.35 -0.23 0.00 0.00 178.00 179.22 3hrd h PHE 85 N 0.51 0.68 0.23 1.56 3.57 -1.96 0.19 116.94 121.72 3hrd h PHE 85 Ca 0.61 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 3hrd h PHE 85 Cb 1.17 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 3hrd h PHE 85 CO -0.06 0.90 -0.14 0.82 -2.23 0.00 0.00 178.31 177.60 3hrd h ILE 86 N 0.28 0.70 -0.08 1.41 1.08 -1.55 0.39 117.51 119.74 3hrd h ILE 86 Ca 0.04 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.52 3hrd h ILE 86 Cb 0.77 0.70 -0.00 0.00 -3.07 0.00 0.00 36.82 35.22 3hrd h ILE 86 CO 0.06 0.00 0.06 -0.09 -0.69 0.00 0.00 178.15 177.48 3hrd h ARG 87 N -0.36 0.05 0.08 2.37 2.43 -0.60 -1.77 114.38 116.58 3hrd h ARG 87 Ca -0.02 -0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.86 3hrd h ARG 87 Cb 0.30 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3hrd h ARG 87 CO 0.03 0.03 -1.53 0.77 -1.51 0.00 0.00 179.97 177.76 3hrd h SER 88 N 0.05 0.27 -0.00 -3.80 0.02 -0.40 -3.44 113.55 106.24 3hrd h SER 88 Ca 0.03 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 3hrd h SER 88 Cb 0.08 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3hrd h SER 88 CO -0.00 1.65 -0.18 1.41 -1.14 0.00 0.00 176.83 178.56 3hrd n HIS 89 N -3.95 0.00 -3.23 3.45 8.25 0.13 -4.74 115.22 115.13 3hrd n HIS 89 Ca -0.29 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 56.91 3hrd n HIS 89 Cb 0.87 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.92 3hrd n HIS 89 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 3hrd n VAL 90 N -0.72 1.90 -0.34 1.59 3.14 -0.67 -4.77 118.33 118.46 3hrd n VAL 90 Ca 0.02 -5.10 0.23 0.00 -2.96 0.00 0.00 64.34 56.53 3hrd n VAL 90 Cb 0.10 -1.71 0.49 0.00 -1.06 0.00 0.00 33.84 31.66 3hrd n VAL 90 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3hrd h ARG 91 N 3.70 0.38 -0.54 1.45 9.65 -1.75 -1.14 114.38 126.13 3hrd h ARG 91 Ca 0.15 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.97 3hrd h ARG 91 Cb 0.67 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.14 3hrd h ARG 91 CO 0.75 0.25 0.20 0.00 2.80 0.00 0.00 179.97 183.97 3hrd h ALA 92 N 1.67 0.70 -0.13 2.80 0.00 -1.82 -1.11 119.26 121.36 3hrd h ALA 92 Ca 0.65 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 55.21 3hrd h ALA 92 Cb 1.59 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.18 3hrd h ALA 92 CO -0.38 0.32 -0.62 1.25 0.00 0.00 0.00 179.25 179.82 3hrd h LEU 93 N 0.73 0.78 0.01 0.00 5.85 -1.59 -2.70 115.31 118.39 3hrd h LEU 93 Ca 0.18 -0.63 0.03 0.00 0.84 0.00 0.00 57.88 58.29 3hrd h LEU 93 Cb 0.22 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3hrd h LEU 93 CO -0.01 1.28 -0.21 0.22 -0.34 0.00 0.00 178.44 179.39 3hrd h TYR 94 N 0.33 -0.54 -0.67 1.25 3.20 -1.13 0.74 116.97 120.15 3hrd h TYR 94 Ca -0.04 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 3hrd h TYR 94 Cb 1.26 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.74 3hrd h TYR 94 CO 0.10 -0.29 0.37 0.87 -1.64 0.00 0.00 178.16 177.57 3hrd h LYS 95 N -0.34 0.93 0.12 1.82 1.79 -1.29 -0.95 116.57 118.65 3hrd h LYS 95 Ca 0.06 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 3hrd h LYS 95 Cb 0.41 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 3hrd h LYS 95 CO -0.18 0.69 -0.06 0.00 -1.08 0.00 0.00 179.45 178.82 3hrd h ALA 96 N 1.18 -0.16 -0.69 3.86 0.00 -1.18 -2.55 119.26 119.73 3hrd h ALA 96 Ca 0.24 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hrd h ALA 96 Cb 0.03 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3hrd h ALA 96 CO -0.04 -0.49 0.44 0.00 0.00 0.00 0.00 179.25 179.16 3hrd h ALA 97 N 0.51 0.88 0.00 0.00 0.00 -0.77 -2.19 119.26 117.69 3hrd h ALA 97 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hrd h ALA 97 Cb 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hrd h ALA 97 CO 0.03 0.24 0.00 -1.13 0.00 0.00 0.00 179.25 178.39 3hrd n SER 98 N -4.64 0.09 -0.49 0.00 3.41 -0.37 -2.88 113.62 108.74 3hrd n SER 98 Ca 0.07 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 3hrd n SER 98 Cb 0.05 -0.54 0.16 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.60 2.57 -2.91 4.33 6.02 -0.84 -4.96 117.38 119.98 3hrd n GLN 99 Ca 0.04 -2.34 -0.42 0.00 -0.01 0.00 0.00 57.00 54.27 3hrd n GLN 99 Cb 0.20 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 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 -2.04 4.86 0.00 5.09 1.01 -1.10 -4.86 120.40 123.35 3hrd s VAL 100 Ca 0.28 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.80 3hrd s VAL 100 Cb 0.21 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.49 3hrd s VAL 100 CO 0.08 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.74 3hrd n GLY 101 N 3.73 1.67 3.40 4.51 0.00 -1.26 -4.43 105.19 112.81 3hrd n GLY 101 Ca 0.05 0.50 -0.17 0.00 0.00 0.00 0.00 46.02 46.40 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 1.35 0.27 1.61 1.04 -1.26 -1.00 113.70 111.70 3hrd s SER 102 Ca 0.00 -1.64 -0.05 0.00 0.48 0.00 0.00 55.95 54.74 3hrd s SER 102 Cb 0.00 0.63 0.32 0.00 0.10 0.00 0.00 66.02 67.07 3hrd s SER 102 CO 0.00 -1.21 1.92 -0.65 0.98 0.00 0.00 173.24 174.28 3hrd h PRO 103 N 2.10 1.20 -0.60 4.02 0.11 -1.96 0.11 132.00 136.98 3hrd h PRO 103 Ca -0.26 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3hrd h PRO 103 Cb 1.24 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 3hrd h PRO 103 CO 0.37 0.83 0.38 1.96 -0.21 0.00 0.00 178.00 181.33 3hrd h GLN 104 N 1.23 0.80 -0.21 1.05 7.50 -1.96 0.22 115.11 123.73 3hrd h GLN 104 Ca 0.32 -0.06 -0.13 0.00 0.50 0.00 0.00 58.65 59.28 3hrd h GLN 104 Cb -0.09 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.26 3hrd h GLN 104 CO -0.06 0.55 -0.43 0.82 -1.50 0.00 0.00 178.83 178.21 3hrd h ILE 105 N 0.81 1.31 -0.04 2.54 1.08 -1.76 -2.79 117.51 118.65 3hrd h ILE 105 Ca 0.22 -1.61 -0.11 0.00 -0.39 0.00 0.00 64.86 62.98 3hrd h ILE 105 Cb -0.06 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 3hrd h ILE 105 CO -0.04 0.50 -0.47 0.03 -0.69 0.00 0.00 178.15 177.48 3hrd h ARG 106 N 0.42 0.09 0.00 2.37 3.08 -0.27 0.68 114.38 120.74 3hrd h ARG 106 Ca 0.03 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3hrd h ARG 106 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3hrd h ARG 106 CO 0.08 0.54 -0.37 -0.91 -1.07 0.00 0.00 179.97 178.24 3hrd h ASN 107 N 0.07 0.00 0.00 7.04 2.35 -0.36 -2.29 115.58 122.40 3hrd h ASN 107 Ca 0.00 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 55.31 3hrd h ASN 107 Cb 0.85 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.15 3hrd h ASN 107 CO 0.06 0.37 -2.50 0.18 -1.65 0.00 0.00 177.43 173.90 3hrd n LEU 108 N -3.47 2.26 -4.72 1.61 4.77 -1.07 -4.94 117.00 111.44 3hrd n LEU 108 Ca 0.00 0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.76 3hrd n LEU 108 Cb 0.53 -0.85 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 3hrd n LEU 108 CO 0.37 0.68 1.30 -0.83 -1.33 0.00 0.00 177.39 177.58 3hrd s GLY 109 N -5.79 1.43 0.18 -0.72 0.00 0.23 -3.83 107.32 98.82 3hrd s GLY 109 Ca -0.37 1.49 0.06 0.00 0.00 0.00 0.00 44.72 45.89 3hrd s GLY 109 CO 0.53 2.74 0.09 -0.51 0.00 0.00 0.00 173.10 175.95 3hrd s THR 110 N 1.08 4.20 0.39 0.90 -4.23 -1.26 -1.54 115.64 115.17 3hrd s THR 110 Ca 0.72 -1.25 0.11 0.00 -1.18 0.00 0.00 61.69 60.10 3hrd s THR 110 Cb -0.47 -3.15 0.14 0.00 1.34 0.00 0.00 72.50 70.36 3hrd s THR 110 CO 0.33 -0.14 1.89 -0.29 -0.54 0.00 0.00 174.62 175.87 3hrd h ILE 111 N 2.13 1.20 -0.46 2.99 6.09 -1.35 -1.48 117.51 126.63 3hrd h ILE 111 Ca -0.47 -0.94 -0.09 0.00 -1.37 0.00 0.00 64.86 61.99 3hrd h ILE 111 Cb 1.21 1.42 -0.02 0.00 0.47 0.00 0.00 36.82 39.90 3hrd h ILE 111 CO 0.61 0.28 -0.06 1.23 -3.07 0.00 0.00 178.15 177.14 3hrd h GLY 112 N 0.84 0.87 0.84 8.18 0.00 -1.26 -1.45 103.07 111.08 3hrd h GLY 112 Ca 0.02 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 3hrd h GLY 112 CO 0.03 0.58 -0.09 -1.33 0.00 0.00 0.00 176.54 175.73 3hrd h GLY 113 N 0.98 0.52 0.86 4.60 0.00 -1.55 0.15 103.07 108.62 3hrd h GLY 113 Ca 0.13 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.02 3hrd h GLY 113 CO 0.03 0.42 0.03 -0.57 0.00 0.00 0.00 176.54 176.44 3hrd h ASN 114 N 0.21 0.01 0.40 0.19 -0.00 -1.16 0.14 115.58 115.37 3hrd h ASN 114 Ca 0.06 0.02 -0.13 0.00 -0.00 0.00 0.00 56.30 56.25 3hrd h ASN 114 Cb 0.58 0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 38.91 3hrd h ASN 114 CO 0.03 0.03 -0.55 -0.07 -0.00 0.00 0.00 177.43 176.87 3hrd h LEU 115 N 0.09 0.18 -0.47 0.34 3.38 -1.27 -1.56 115.31 116.00 3hrd h LEU 115 Ca 0.06 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3hrd h LEU 115 Cb 0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3hrd h LEU 115 CO -0.08 0.69 -0.42 0.28 0.09 0.00 0.00 178.44 179.00 3hrd h SER 116 N 0.12 0.00 0.34 -0.43 0.02 -0.59 -2.98 113.55 110.03 3hrd h SER 116 Ca -0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 3hrd h SER 116 Cb 1.00 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.56 3hrd h SER 116 CO 0.08 0.42 -1.28 0.74 -1.14 0.00 0.00 176.83 175.65 3hrd h THR 117 N 0.00 1.36 -6.04 -2.27 2.02 -0.56 -3.47 112.91 103.95 3hrd h THR 117 Ca -0.00 -2.70 -0.42 0.00 0.77 0.00 0.00 66.41 64.06 3hrd h THR 117 Cb 1.14 2.84 0.06 0.00 -1.74 0.00 0.00 68.15 70.44 3hrd h THR 117 CO 0.05 0.81 -0.78 -1.20 0.37 0.00 0.00 175.52 174.77 3hrd n SER 118 N -3.69 -2.87 -4.76 4.18 7.64 -0.60 -4.93 113.62 108.59 3hrd n SER 118 Ca -0.12 -0.74 -0.37 0.00 1.01 0.00 0.00 58.87 58.64 3hrd n SER 118 Cb 1.02 -4.31 0.01 0.00 -1.01 0.00 0.00 64.21 59.92 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 -3.97 5.72 0.39 6.43 0.15 -1.26 -4.90 113.70 116.26 3hrd s SER 119 Ca 0.24 2.46 0.11 0.00 0.70 0.00 0.00 55.95 59.46 3hrd s SER 119 Cb -0.12 -2.61 0.90 0.00 -1.71 0.00 0.00 66.02 62.48 3hrd s SER 119 CO 0.79 -1.24 1.93 0.58 1.20 0.00 0.00 173.24 176.51 3hrd h VAL 120 N 1.57 0.89 -0.49 4.45 2.07 -1.90 -1.62 116.25 121.23 3hrd h VAL 120 Ca -0.50 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3hrd h VAL 120 Cb 1.27 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3hrd h VAL 120 CO 0.58 0.11 0.00 0.00 0.02 0.00 0.00 177.57 178.28 3hrd n ALA 121 N -2.48 2.99 -1.67 1.67 0.00 -1.26 -2.61 120.51 117.15 3hrd n ALA 121 Ca 0.13 -1.74 -0.43 0.00 0.00 0.00 0.00 53.44 51.40 3hrd n ALA 121 Cb 0.39 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 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 0.53 1.74 0.10 0.00 0.00 -0.61 -4.52 105.19 102.44 3hrd n GLY 122 Ca 0.22 0.78 -0.11 0.00 0.00 0.00 0.00 46.02 46.91 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 9.59 0.28 -0.32 1.61 3.32 -1.93 -0.10 116.42 128.87 3hrd h ASP 123 Ca -0.48 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.20 3hrd h ASP 123 Cb 1.24 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 3hrd h ASP 123 CO 0.94 1.15 -0.21 1.23 -1.72 0.00 0.00 179.24 180.63 3hrd h GLY 124 N 1.98 0.77 0.36 2.75 0.00 -1.90 -1.56 103.07 105.48 3hrd h GLY 124 Ca -0.07 -0.73 0.06 0.00 0.00 0.00 0.00 47.33 46.59 3hrd h GLY 124 CO 0.16 0.66 -0.09 -2.08 0.00 0.00 0.00 176.54 175.20 3hrd h VAL 125 N 0.47 0.67 -0.31 4.60 2.07 -1.84 0.52 116.25 122.44 3hrd h VAL 125 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 3hrd h VAL 125 Cb 0.76 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3hrd h VAL 125 CO 0.06 0.00 0.07 -1.28 0.02 0.00 0.00 177.57 176.44 3hrd h SER 126 N -0.01 0.47 0.20 0.57 0.87 -0.90 -1.48 113.55 113.26 3hrd h SER 126 Ca 0.15 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 3hrd h SER 126 Cb 0.24 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3hrd h SER 126 CO -0.33 0.59 -0.09 0.00 -0.53 0.00 0.00 176.83 176.47 3hrd h ALA 127 N 0.90 -0.26 0.00 6.23 0.00 -0.97 -1.03 119.26 124.13 3hrd h ALA 127 Ca 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hrd h ALA 127 Cb 0.30 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hrd h ALA 127 CO 0.00 -0.55 -0.04 0.52 0.00 0.00 0.00 179.25 179.18 3hrd h MET 128 N -0.45 0.00 0.01 0.00 2.86 -0.91 -0.02 114.93 116.41 3hrd h MET 128 Ca -0.03 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.35 3hrd h MET 128 Cb 0.34 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.03 3hrd h MET 128 CO 0.04 0.04 -1.05 1.15 1.06 0.00 0.00 176.91 178.15 3hrd h THR 129 N 0.00 1.28 -0.70 2.22 2.02 -1.03 0.40 112.91 117.11 3hrd h THR 129 Ca -0.00 -2.25 -0.05 0.00 0.77 0.00 0.00 66.41 64.88 3hrd h THR 129 Cb 0.09 2.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 3hrd h THR 129 CO 0.00 0.70 0.25 0.74 0.37 0.00 0.00 175.52 177.58 3hrd h THR 130 N 0.38 1.25 -0.12 3.16 2.02 -0.06 -1.88 112.91 117.66 3hrd h THR 130 Ca -0.13 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.24 3hrd h THR 130 Cb 1.70 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 3hrd h THR 130 CO 0.21 0.32 0.00 0.18 0.37 0.00 0.00 175.52 176.60 3hrd n LEU 131 N -4.28 1.11 -3.82 2.58 4.77 -0.13 -4.64 117.00 112.58 3hrd n LEU 131 Ca 0.06 -0.47 -0.25 0.00 -0.03 0.00 0.00 56.01 55.32 3hrd n LEU 131 Cb 0.20 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3hrd n LEU 131 CO 0.40 0.23 -0.03 -0.67 -1.33 0.00 0.00 177.39 176.00 3hrd n ASP 132 N -0.04 -2.36 -4.62 -1.43 2.03 -0.71 -4.59 116.55 104.84 3hrd n ASP 132 Ca 0.15 -0.83 -0.30 0.00 0.52 0.00 0.00 54.79 54.32 3hrd n ASP 132 Cb 0.24 -3.84 0.19 0.00 -0.72 0.00 0.00 41.12 36.99 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 -3.57 0.84 -0.02 -1.67 0.00 0.07 -4.80 121.76 112.61 3hrd s ALA 133 Ca 0.25 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.60 3hrd s ALA 133 Cb -0.13 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 3hrd s ALA 133 CO 0.83 -3.09 -0.19 0.99 0.00 0.00 0.00 175.76 174.29 3hrd s THR 134 N -2.60 1.53 0.14 0.00 2.01 0.01 -0.50 115.64 116.24 3hrd s THR 134 Ca 0.67 -0.83 0.09 0.00 0.31 0.00 0.00 61.69 61.93 3hrd s THR 134 Cb -0.23 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 3hrd s THR 134 CO 0.60 0.43 -0.15 0.68 -0.69 0.00 0.00 174.62 175.50 3hrd s VAL 135 N -0.43 2.99 -0.20 3.82 -7.23 -0.32 -0.17 120.40 118.87 3hrd s VAL 135 Ca 0.07 -1.57 -0.03 0.00 -1.81 0.00 0.00 61.98 58.63 3hrd s VAL 135 Cb -0.08 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 3hrd s VAL 135 CO -0.01 0.01 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.05 3hrd s VAL 136 N -1.39 3.42 -0.11 1.32 1.01 -0.32 -1.66 120.40 122.66 3hrd s VAL 136 Ca 0.21 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3hrd s VAL 136 Cb -0.10 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 3hrd s VAL 136 CO 0.12 0.45 -0.17 -0.76 0.00 0.00 0.00 175.10 174.75 3hrd s LEU 137 N 1.12 2.52 0.18 3.92 1.43 0.01 -1.29 118.68 126.56 3hrd s LEU 137 Ca 0.01 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.79 3hrd s LEU 137 Cb -0.15 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 3hrd s LEU 137 CO -0.01 0.18 -0.13 -1.61 0.23 0.00 0.00 176.35 175.02 3hrd s GLU 138 N 0.25 1.21 0.18 1.70 2.02 -0.66 -1.02 118.70 122.39 3hrd s GLU 138 Ca -0.11 -1.52 -0.13 0.00 0.02 0.00 0.00 54.97 53.22 3hrd s GLU 138 Cb -0.16 -0.92 0.05 0.00 0.10 0.00 0.00 34.13 33.20 3hrd s GLU 138 CO 0.06 0.14 0.63 -1.13 0.02 0.00 0.00 175.26 174.98 3hrd n SER 139 N -0.28 -1.33 0.12 -0.19 3.41 -0.78 -0.77 113.62 113.80 3hrd n SER 139 Ca -0.09 -1.80 0.10 0.00 -0.26 0.00 0.00 58.87 56.82 3hrd n SER 139 Cb 0.60 2.18 0.46 0.00 -0.26 0.00 0.00 64.21 67.20 3hrd n SER 139 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3hrd n VAL 140 N -0.44 0.99 1.23 -3.33 0.24 -1.26 -1.92 118.33 113.85 3hrd n VAL 140 Ca -0.03 0.39 0.13 0.00 -2.04 0.00 0.00 64.34 62.79 3hrd n VAL 140 Cb 0.40 -1.33 0.45 0.00 -1.47 0.00 0.00 33.84 31.89 3hrd n VAL 140 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3hrd n ARG 141 N -2.11 0.54 0.00 7.34 1.74 -1.26 -5.05 116.66 117.86 3hrd n ARG 141 Ca 0.01 -0.26 0.00 0.00 -0.77 0.00 0.00 57.85 56.83 3hrd n ARG 141 Cb 0.15 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3hrd n ARG 141 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hrd n GLY 142 N 1.36 0.32 3.39 -0.13 0.00 -0.81 -5.09 105.19 104.24 3hrd n GLY 142 Ca 0.11 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 3hrd n GLY 142 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hrd s THR 143 N -1.99 0.03 0.07 2.61 -1.32 -1.26 -1.86 115.64 111.91 3hrd s THR 143 Ca 0.00 -0.23 -0.07 0.00 -1.21 0.00 0.00 61.69 60.18 3hrd s THR 143 Cb 0.00 -0.89 -0.01 0.00 -1.51 0.00 0.00 72.50 70.09 3hrd s THR 143 CO 0.00 -0.13 0.15 0.00 -2.21 0.00 0.00 174.62 172.43 3hrd s ARG 144 N -1.72 0.77 0.12 7.08 1.70 -0.19 -5.00 118.95 121.70 3hrd s ARG 144 Ca -0.09 -0.93 0.08 0.00 -0.47 0.00 0.00 55.73 54.31 3hrd s ARG 144 Cb -0.02 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 3hrd s ARG 144 CO 0.04 -0.22 -0.19 -0.65 -1.08 0.00 0.00 175.30 173.20 3hrd s GLN 145 N -3.58 1.11 -0.02 3.89 -0.21 -1.26 -0.81 119.66 118.78 3hrd s GLN 145 Ca 0.03 -1.21 -0.26 0.00 0.02 0.00 0.00 55.36 53.94 3hrd s GLN 145 Cb 0.04 -1.25 0.06 0.00 1.00 0.00 0.00 33.01 32.85 3hrd s GLN 145 CO -0.09 0.28 0.58 0.00 -2.12 0.00 0.00 175.29 173.93 3hrd s MET 146 N -2.20 0.98 0.38 2.91 0.23 -0.67 -4.99 119.30 115.95 3hrd s MET 146 Ca 0.08 0.08 -0.27 0.00 -1.03 0.00 0.00 55.69 54.55 3hrd s MET 146 Cb -0.08 0.46 -0.09 0.00 -1.53 0.00 0.00 34.83 33.58 3hrd s MET 146 CO 0.04 -0.31 1.32 0.15 -2.03 0.00 0.00 175.02 174.19 3hrd s LYS 147 N -1.47 4.12 0.41 3.16 -0.14 -1.26 -1.17 119.74 123.39 3hrd s LYS 147 Ca -0.10 2.22 0.17 0.00 -1.36 0.00 0.00 55.97 56.89 3hrd s LYS 147 Cb -0.01 -2.89 1.06 0.00 -1.68 0.00 0.00 37.83 34.31 3hrd s LYS 147 CO 0.07 -0.39 1.84 1.25 -0.76 0.00 0.00 175.35 177.36 3hrd h LEU 148 N 2.95 0.44 -1.01 3.17 5.85 -1.10 0.23 115.31 125.84 3hrd h LEU 148 Ca -0.49 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 3hrd h LEU 148 Cb 1.24 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 3hrd h LEU 148 CO 0.64 0.17 0.45 0.71 -0.34 0.00 0.00 178.44 180.07 3hrd h THR 149 N 0.43 1.24 0.06 1.05 1.35 -1.89 -0.24 112.91 114.90 3hrd h THR 149 Ca 0.49 -0.60 -0.24 0.00 -0.55 0.00 0.00 66.41 65.51 3hrd h THR 149 Cb 1.17 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.70 3hrd h THR 149 CO -0.20 0.27 -1.08 0.44 -0.25 0.00 0.00 175.52 174.70 3hrd h ASP 150 N 1.16 0.24 -0.65 5.36 3.32 -1.01 -1.92 116.42 122.92 3hrd h ASP 150 Ca 0.29 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3hrd h ASP 150 Cb 0.02 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3hrd h ASP 150 CO -0.05 1.16 0.42 0.15 -1.72 0.00 0.00 179.24 179.20 3hrd h PHE 151 N 0.05 0.83 -0.13 4.55 3.57 -0.52 0.22 116.94 125.52 3hrd h PHE 151 Ca -0.07 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.39 3hrd h PHE 151 Cb 1.80 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 40.26 3hrd h PHE 151 CO 0.03 0.54 -0.11 0.74 -2.23 0.00 0.00 178.31 177.28 3hrd h PHE 152 N 0.88 0.35 -0.25 0.41 0.04 -1.02 0.64 116.94 117.98 3hrd h PHE 152 Ca 0.24 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 3hrd h PHE 152 Cb -0.07 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 3hrd h PHE 152 CO -0.02 0.68 0.14 -0.44 -0.60 0.00 0.00 178.31 178.07 3hrd h ASP 153 N -0.08 0.30 -3.80 2.17 3.32 -1.10 -3.40 116.42 113.82 3hrd h ASP 153 Ca 0.02 -0.01 -0.44 0.00 0.02 0.00 0.00 57.03 56.62 3hrd h ASP 153 Cb 0.62 -0.08 0.17 0.00 0.22 0.00 0.00 39.33 40.26 3hrd h ASP 153 CO 0.03 0.24 0.19 -0.83 -1.72 0.00 0.00 179.24 177.15 3hrd s GLY 154 N -3.84 1.57 -0.13 2.75 0.00 0.05 -4.96 107.32 102.76 3hrd s GLY 154 Ca -0.07 -0.58 -0.04 0.00 0.00 0.00 0.00 44.72 44.03 3hrd s GLY 154 CO 0.71 0.11 0.16 -0.54 0.00 0.00 0.00 173.10 173.54 3hrd s GLU 155 N -5.15 0.07 0.00 2.90 2.02 -1.25 -3.45 118.70 113.83 3hrd s GLU 155 Ca 0.67 0.37 0.00 0.00 0.02 0.00 0.00 54.97 56.03 3hrd s GLU 155 Cb -0.15 -0.75 0.00 0.00 0.10 0.00 0.00 34.13 33.33 3hrd s GLU 155 CO 0.57 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.81 3hrd n GLY 156 N 5.32 0.73 0.02 -1.39 0.00 -0.43 -4.84 105.19 104.61 3hrd n GLY 156 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 0.14 -4.15 1.61 -1.74 -0.73 -4.63 117.46 107.96 3hrd n PHE 157 Ca 0.00 0.06 -0.12 0.00 -0.56 0.00 0.00 57.45 56.83 3hrd n PHE 157 Cb 0.00 -0.59 -0.10 0.00 1.52 0.00 0.00 39.48 40.31 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 -3.06 0.78 0.23 3.97 1.02 -1.26 -5.03 119.74 116.40 3hrd s LYS 158 Ca 0.06 -1.19 0.13 0.00 0.02 0.00 0.00 55.97 54.99 3hrd s LYS 158 Cb 0.09 -0.28 -0.01 0.00 -0.52 0.00 0.00 37.83 37.11 3hrd s LYS 158 CO 0.28 0.01 1.39 0.00 -0.92 0.00 0.00 175.35 176.12 3hrd h ARG 159 N 3.38 0.00 -0.93 1.68 3.08 -1.91 -3.35 114.38 116.33 3hrd h ARG 159 Ca -0.36 0.00 0.21 0.00 0.07 0.00 0.00 59.98 59.90 3hrd h ARG 159 Cb 1.18 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.15 3hrd h ARG 159 CO 0.58 0.63 0.61 0.07 -1.07 0.00 0.00 179.97 180.79 3hrd h ARG 160 N 0.00 0.44 0.00 0.04 0.11 -1.91 -3.42 114.38 109.64 3hrd h ARG 160 Ca -0.01 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 60.02 3hrd h ARG 160 Cb 1.49 -0.10 0.01 0.00 1.11 0.00 0.00 29.97 32.48 3hrd h ARG 160 CO 0.08 0.29 0.25 0.27 0.10 0.00 0.00 179.97 180.96 3hrd n ASN 161 N -4.54 -2.05 0.00 0.08 0.23 -1.25 -4.73 115.26 102.99 3hrd n ASN 161 Ca 0.20 -2.42 0.12 0.00 -0.53 0.00 0.00 54.58 51.96 3hrd n ASN 161 Cb 0.70 3.42 0.67 0.00 -2.08 0.00 0.00 39.78 42.49 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 -0.83 2.32 -1.59 -2.53 0.00 0.21 -1.31 120.51 116.78 3hrd n ALA 162 Ca -0.15 -0.13 -0.45 0.00 0.00 0.00 0.00 53.44 52.70 3hrd n ALA 162 Cb 0.53 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 3hrd n ALA 162 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hrd n LEU 163 N -1.18 1.83 -4.97 0.00 4.77 -1.26 -3.98 117.00 112.21 3hrd n LEU 163 Ca 0.14 1.17 -0.21 0.00 -0.03 0.00 0.00 56.01 57.08 3hrd n LEU 163 Cb 0.16 -1.28 -0.01 0.00 -2.33 0.00 0.00 43.42 39.96 3hrd n LEU 163 CO 0.17 -1.32 0.08 -1.61 -1.33 0.00 0.00 177.39 173.39 3hrd s GLU 164 N -1.25 3.28 0.59 3.23 0.41 -1.26 -1.78 118.70 121.92 3hrd s GLU 164 Ca 0.62 -0.73 0.31 0.00 -0.41 0.00 0.00 54.97 54.76 3hrd s GLU 164 Cb -0.73 -2.77 1.83 0.00 -1.78 0.00 0.00 34.13 30.68 3hrd s GLU 164 CO 0.58 0.14 2.24 0.00 -0.49 0.00 0.00 175.26 177.73 3hrd h ALA 165 N 0.88 1.43 -0.55 5.21 0.00 -1.94 -2.12 119.26 122.17 3hrd h ALA 165 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3hrd h ALA 165 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hrd h ALA 165 CO 0.58 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.45 3hrd n ASP 166 N -3.73 3.49 -4.94 0.00 5.75 -1.26 -4.59 116.55 111.27 3hrd n ASP 166 Ca -0.03 -1.99 -0.26 0.00 -0.01 0.00 0.00 54.79 52.51 3hrd n ASP 166 Cb 0.11 -0.37 -0.03 0.00 -1.03 0.00 0.00 41.12 39.80 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 -1.03 3.50 -0.03 0.11 2.02 -0.80 -4.45 118.70 118.02 3hrd s GLU 167 Ca 0.38 -0.42 -0.01 0.00 0.02 0.00 0.00 54.97 54.94 3hrd s GLU 167 Cb 0.20 -2.82 0.03 0.00 0.10 0.00 0.00 34.13 31.64 3hrd s GLU 167 CO 0.26 0.36 0.04 -1.50 0.02 0.00 0.00 175.26 174.44 3hrd s ILE 168 N -1.97 -0.06 0.11 -1.63 2.07 0.05 -4.84 121.20 114.95 3hrd s ILE 168 Ca 0.38 0.29 -0.31 0.00 -1.41 0.00 0.00 60.65 59.60 3hrd s ILE 168 Cb -0.10 -0.13 -0.07 0.00 0.13 0.00 0.00 42.46 42.29 3hrd s ILE 168 CO 0.30 0.13 1.25 -0.32 -1.91 0.00 0.00 174.94 174.40 3hrd s MET 169 N 1.50 4.42 -0.03 3.50 -2.45 -1.26 -1.65 119.30 123.33 3hrd s MET 169 Ca -0.04 1.89 0.07 0.00 -1.25 0.00 0.00 55.69 56.36 3hrd s MET 169 Cb -0.13 -3.29 -0.11 0.00 1.25 0.00 0.00 34.83 32.56 3hrd s MET 169 CO -0.03 -0.26 0.12 0.25 1.05 0.00 0.00 175.02 176.15 3hrd n THR 170 N 3.51 0.13 -3.53 10.11 -2.24 -0.41 -4.65 114.28 117.20 3hrd n THR 170 Ca 0.08 -0.20 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 3hrd n THR 170 Cb 0.45 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.41 0.94 -0.03 -0.78 2.12 -1.25 -0.85 118.70 116.44 3hrd s GLU 171 Ca -0.03 0.13 0.07 0.00 0.36 0.00 0.00 54.97 55.51 3hrd s GLU 171 Cb 0.04 0.44 -0.02 0.00 0.26 0.00 0.00 34.13 34.86 3hrd s GLU 171 CO 0.30 -0.31 -0.26 0.08 -0.54 0.00 0.00 175.26 174.53 3hrd s VAL 172 N -1.50 2.04 -0.02 3.70 1.01 0.98 -1.17 120.40 125.42 3hrd s VAL 172 Ca -0.07 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 60.87 3hrd s VAL 172 Cb -0.00 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3hrd s VAL 172 CO 0.05 0.57 -0.16 -0.63 0.00 0.00 0.00 175.10 174.93 3hrd s ILE 173 N -0.47 1.33 0.07 2.22 1.01 0.76 0.30 121.20 126.43 3hrd s ILE 173 Ca 0.06 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.03 3hrd s ILE 173 Cb -0.11 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 3hrd s ILE 173 CO 0.00 0.38 -0.08 0.27 0.00 0.00 0.00 174.94 175.52 3hrd s ILE 174 N -0.20 0.66 0.45 2.92 -4.36 -0.46 -0.81 121.20 119.39 3hrd s ILE 174 Ca 0.02 -1.51 -0.23 0.00 -0.26 0.00 0.00 60.65 58.68 3hrd s ILE 174 Cb -0.08 -1.15 -0.08 0.00 1.25 0.00 0.00 42.46 42.39 3hrd s ILE 174 CO 0.00 -0.60 1.11 -1.81 0.24 0.00 0.00 174.94 173.88 3hrd s ASP 175 N -2.29 6.35 0.10 4.36 1.01 -1.26 0.17 116.67 125.11 3hrd s ASP 175 Ca 0.01 2.16 -0.26 0.00 0.71 0.00 0.00 52.55 55.17 3hrd s ASP 175 Cb -0.03 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 3hrd s ASP 175 CO -0.02 -0.78 0.81 -0.60 0.21 0.00 0.00 175.17 174.79 3hrd s ARG 176 N -2.73 4.57 0.11 8.23 3.52 0.30 -4.68 118.95 128.26 3hrd s ARG 176 Ca 0.63 1.18 -0.31 0.00 -0.13 0.00 0.00 55.73 57.10 3hrd s ARG 176 Cb -0.25 -3.33 -0.10 0.00 -1.56 0.00 0.00 34.95 29.71 3hrd s ARG 176 CO 0.30 0.36 1.79 -2.14 -0.81 0.00 0.00 175.30 174.81 3hrd s PRO 177 N -0.41 4.15 0.65 5.12 0.02 -1.26 -4.86 135.00 138.40 3hrd s PRO 177 Ca 0.39 2.54 -0.11 0.00 0.02 0.00 0.00 61.00 63.84 3hrd s PRO 177 Cb -0.22 -3.61 0.15 0.00 0.02 0.00 0.00 34.50 30.84 3hrd s PRO 177 CO 0.26 -0.82 0.88 -0.40 -0.33 0.00 0.00 177.00 176.59 3hrd n ASP 178 N 5.70 0.11 -0.35 2.53 3.85 -1.26 -4.94 116.55 122.19 3hrd n ASP 178 Ca 0.17 -1.34 -0.10 0.00 -0.71 0.00 0.00 54.79 52.81 3hrd n ASP 178 Cb 0.39 -0.67 -0.09 0.00 -1.35 0.00 0.00 41.12 39.40 3hrd n ASP 178 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hrd h ALA 179 N -1.79 -0.52 -2.83 2.12 0.00 -1.99 -3.18 119.26 111.06 3hrd h ALA 179 Ca -0.29 0.09 -0.67 0.00 0.00 0.00 0.00 54.91 54.05 3hrd h ALA 179 Cb 0.80 1.31 -0.38 0.00 0.00 0.00 0.00 17.79 19.52 3hrd h ALA 179 CO 0.21 -0.89 -0.28 -2.39 0.00 0.00 0.00 179.25 175.90 3hrd n HIS 180 N -5.04 3.75 -3.94 0.00 -0.00 -1.26 -5.01 115.22 103.73 3hrd n HIS 180 Ca 0.01 -4.15 -0.09 0.00 -0.00 0.00 0.00 57.72 53.50 3hrd n HIS 180 Cb 0.24 -0.90 -0.09 0.00 -0.00 0.00 0.00 29.99 29.25 3hrd n HIS 180 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3hrd s SER 181 N -0.94 0.22 0.13 4.39 1.04 -1.20 -3.08 113.70 114.25 3hrd s SER 181 Ca 0.28 -0.67 -0.19 0.00 0.48 0.00 0.00 55.95 55.85 3hrd s SER 181 Cb -0.03 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.40 3hrd s SER 181 CO -0.12 -0.61 0.48 0.00 0.98 0.00 0.00 173.24 173.97 3hrd s ALA 182 N -3.34 -1.19 0.01 5.32 0.00 -0.76 -4.81 121.76 116.99 3hrd s ALA 182 Ca 0.01 0.18 -0.07 0.00 0.00 0.00 0.00 51.96 52.08 3hrd s ALA 182 Cb 0.03 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.89 3hrd s ALA 182 CO -0.08 -0.68 0.14 -1.54 0.00 0.00 0.00 175.76 173.60 3hrd s SER 183 N -2.72 0.04 0.03 0.00 1.04 -1.26 -0.47 113.70 110.36 3hrd s SER 183 Ca 0.02 -0.24 -0.06 0.00 0.48 0.00 0.00 55.95 56.15 3hrd s SER 183 Cb 0.01 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 3hrd s SER 183 CO -0.12 -0.39 0.10 0.00 0.98 0.00 0.00 173.24 173.81 3hrd s ALA 184 N -1.53 -0.11 -0.06 5.32 0.00 0.27 -3.66 121.76 121.98 3hrd s ALA 184 Ca -0.14 -0.47 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 3hrd s ALA 184 Cb -0.07 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.30 3hrd s ALA 184 CO 0.01 -0.29 0.16 0.12 0.00 0.00 0.00 175.76 175.76 3hrd s PHE 185 N -2.35 -0.18 -0.06 0.00 5.36 -1.26 -0.91 117.98 118.59 3hrd s PHE 185 Ca -0.07 0.46 0.00 0.00 -0.96 0.00 0.00 56.93 56.35 3hrd s PHE 185 Cb -0.03 0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.71 3hrd s PHE 185 CO -0.03 -0.11 -0.03 -0.47 -1.46 0.00 0.00 175.22 173.12 3hrd s TYR 186 N 0.35 0.72 -0.44 10.12 5.04 0.19 -4.88 117.35 128.46 3hrd s TYR 186 Ca -0.02 -0.20 -0.16 0.00 -2.44 0.00 0.00 57.07 54.25 3hrd s TYR 186 Cb -0.04 -0.73 0.04 0.00 0.35 0.00 0.00 41.96 41.59 3hrd s TYR 186 CO -0.01 -0.25 0.36 0.21 -1.34 0.00 0.00 175.55 174.51 3hrd s LYS 187 N 1.36 2.99 -0.32 4.97 2.20 -1.26 -1.23 119.74 128.46 3hrd s LYS 187 Ca -0.04 -1.12 -0.22 0.00 -0.36 0.00 0.00 55.97 54.24 3hrd s LYS 187 Cb -0.13 -4.04 -0.00 0.00 -1.51 0.00 0.00 37.83 32.14 3hrd s LYS 187 CO -0.02 -0.88 0.70 -1.17 -0.36 0.00 0.00 175.35 173.62 3hrd s LEU 188 N 1.74 4.13 0.20 5.43 2.96 -0.57 -5.02 118.68 127.55 3hrd s LEU 188 Ca 0.06 0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 54.26 3hrd s LEU 188 Cb -0.21 -2.93 0.04 0.00 0.50 0.00 0.00 46.19 43.59 3hrd s LEU 188 CO 0.09 -0.56 0.57 0.00 -1.32 0.00 0.00 176.35 175.12 3hrd s ALA 189 N 2.79 -1.12 0.38 5.97 0.00 -1.26 -0.45 121.76 128.08 3hrd s ALA 189 Ca 0.28 -0.09 0.16 0.00 0.00 0.00 0.00 51.96 52.32 3hrd s ALA 189 Cb -0.14 0.86 0.91 0.00 0.00 0.00 0.00 23.12 24.74 3hrd s ALA 189 CO 0.13 -0.83 1.90 0.87 0.00 0.00 0.00 175.76 177.83 3hrd h LYS 190 N 2.13 0.00 -4.14 0.00 6.56 -1.96 -3.46 116.57 115.71 3hrd h LYS 190 Ca -0.28 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.18 3hrd h LYS 190 Cb 1.27 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.79 3hrd h LYS 190 CO 0.35 0.28 -0.55 -0.98 -2.06 0.00 0.00 179.45 176.49 3hrd s ARG 191 N -4.26 0.81 -0.00 3.15 1.70 -1.26 -5.06 118.95 114.03 3hrd s ARG 191 Ca -0.03 -1.21 0.00 0.00 -0.47 0.00 0.00 55.73 54.03 3hrd s ARG 191 Cb 0.14 0.27 0.02 0.00 -0.57 0.00 0.00 34.95 34.81 3hrd s ARG 191 CO 0.69 -0.22 0.78 1.63 -1.08 0.00 0.00 175.30 177.10 3hrd n LYS 192 N -0.02 1.07 -3.60 3.89 5.02 -1.26 -4.51 118.16 118.75 3hrd n LYS 192 Ca -0.11 -0.07 -0.10 0.00 -2.02 0.00 0.00 58.31 56.00 3hrd n LYS 192 Cb 0.62 -1.26 -0.06 0.00 -0.02 0.00 0.00 35.03 34.31 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 -0.52 -0.42 -1.40 4.39 0.15 -1.26 -4.97 113.70 109.67 3hrd s SER 193 Ca 0.01 0.63 -0.06 0.00 0.70 0.00 0.00 55.95 57.24 3hrd s SER 193 Cb 0.01 0.58 0.03 0.00 -1.71 0.00 0.00 66.02 64.93 3hrd s SER 193 CO 0.01 -0.26 0.82 0.18 1.20 0.00 0.00 173.24 175.18 3hrd n LEU 194 N 1.42 -2.89 -4.47 3.45 4.77 -0.17 -4.97 117.00 114.14 3hrd n LEU 194 Ca -0.12 -0.80 -0.30 0.00 -0.03 0.00 0.00 56.01 54.76 3hrd n LEU 194 Cb 0.57 -2.63 -0.12 0.00 -2.33 0.00 0.00 43.42 38.91 3hrd n LEU 194 CO 0.10 0.44 -0.49 0.00 -1.33 0.00 0.00 177.39 176.11 3hrd s ALA 195 N -3.52 2.62 -0.13 -1.18 0.00 -1.26 -4.96 121.76 113.33 3hrd s ALA 195 Ca 0.28 -1.25 -0.16 0.00 0.00 0.00 0.00 51.96 50.83 3hrd s ALA 195 Cb -0.14 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 3hrd s ALA 195 CO 0.82 0.58 0.39 0.42 0.00 0.00 0.00 175.76 177.97 3hrd s ILE 196 N -1.01 5.24 0.36 0.00 1.01 -1.26 -4.67 121.20 120.87 3hrd s ILE 196 Ca 0.16 0.76 -0.28 0.00 0.00 0.00 0.00 60.65 61.28 3hrd s ILE 196 Cb -0.11 -3.73 -0.11 0.00 0.01 0.00 0.00 42.46 38.53 3hrd s ILE 196 CO 0.07 0.37 1.50 -0.44 0.00 0.00 0.00 174.94 176.44 3hrd s SER 197 N 0.46 6.37 -0.19 3.58 0.01 -1.26 -4.59 113.70 118.07 3hrd s SER 197 Ca 0.21 3.02 -0.02 0.00 1.31 0.00 0.00 55.95 60.47 3hrd s SER 197 Cb -0.14 -2.66 -0.21 0.00 0.21 0.00 0.00 66.02 63.21 3hrd s SER 197 CO 0.07 -0.86 0.06 0.52 0.41 0.00 0.00 173.24 173.44 3hrd n VAL 198 N 0.79 1.63 -3.68 3.43 0.31 0.41 -4.86 118.33 116.35 3hrd n VAL 198 Ca 0.02 -0.62 -0.15 0.00 -0.01 0.00 0.00 64.34 63.58 3hrd n VAL 198 Cb 0.39 -1.55 -0.15 0.00 -0.91 0.00 0.00 33.84 31.63 3hrd n VAL 198 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3hrd s ILE 199 N -2.54 -0.27 -0.80 2.52 1.01 -1.19 -4.67 121.20 115.26 3hrd s ILE 199 Ca -0.28 0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.59 3hrd s ILE 199 Cb 0.08 -0.33 0.21 0.00 0.01 0.00 0.00 42.46 42.42 3hrd s ILE 199 CO 0.68 0.13 0.70 -0.83 0.00 0.00 0.00 174.94 175.62 3hrd s GLY 200 N 2.14 2.73 -0.19 6.18 0.00 0.96 -1.51 107.32 117.63 3hrd s GLY 200 Ca 0.01 -3.43 -0.29 0.00 0.00 0.00 0.00 44.72 41.00 3hrd s GLY 200 CO -0.07 1.21 1.23 -0.32 0.00 0.00 0.00 173.10 175.14 3hrd s GLY 201 N 1.27 1.63 -0.05 0.20 0.00 -0.36 -0.69 107.32 109.32 3hrd s GLY 201 Ca 0.20 0.37 0.05 0.00 0.00 0.00 0.00 44.72 45.34 3hrd s GLY 201 CO -0.07 2.45 -0.20 -0.32 0.00 0.00 0.00 173.10 174.95 3hrd s GLY 202 N 1.91 1.07 -0.06 0.20 0.00 -0.73 -0.64 107.32 109.07 3hrd s GLY 202 Ca 0.53 -0.84 -0.05 0.00 0.00 0.00 0.00 44.72 44.36 3hrd s GLY 202 CO 0.14 -0.49 0.15 -0.29 0.00 0.00 0.00 173.10 172.61 3hrd s MET 203 N -0.07 0.15 -0.05 2.90 0.00 -0.08 -0.63 119.30 121.52 3hrd s MET 203 Ca -0.03 0.26 -0.07 0.00 0.00 0.00 0.00 55.69 55.85 3hrd s MET 203 Cb -0.12 0.01 0.01 0.00 0.00 0.00 0.00 34.83 34.73 3hrd s MET 203 CO 0.03 -0.06 0.18 0.00 0.00 0.00 0.00 175.02 175.16 3hrd s ALA 204 N 0.40 -0.44 0.14 4.11 0.00 -0.02 0.97 121.76 126.92 3hrd s ALA 204 Ca -0.03 0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.19 3hrd s ALA 204 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 3hrd s ALA 204 CO -0.02 -0.13 0.20 0.14 0.00 0.00 0.00 175.76 175.95 3hrd s VAL 205 N -0.41 0.09 0.05 0.00 -7.23 0.38 -0.32 120.40 112.97 3hrd s VAL 205 Ca -0.05 -1.52 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 3hrd s VAL 205 Cb -0.03 -1.81 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 3hrd s VAL 205 CO 0.01 -0.42 -0.10 -0.54 -0.31 0.00 0.00 175.10 173.73 3hrd s LYS 206 N -3.97 0.66 0.08 4.82 1.02 -0.69 -1.82 119.74 119.84 3hrd s LYS 206 Ca 0.17 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.38 3hrd s LYS 206 Cb 0.05 -0.54 -0.04 0.00 -0.52 0.00 0.00 37.83 36.79 3hrd s LYS 206 CO -0.02 0.11 -0.07 0.14 -0.92 0.00 0.00 175.35 174.60 3hrd s VAL 207 N -1.24 0.66 -0.34 3.17 -7.23 -1.18 -0.40 120.40 113.84 3hrd s VAL 207 Ca -0.06 -1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 3hrd s VAL 207 Cb -0.09 -1.33 0.07 0.00 0.56 0.00 0.00 36.38 35.58 3hrd s VAL 207 CO 0.01 -0.70 0.08 1.51 -0.31 0.00 0.00 175.10 175.68 3hrd s ASP 208 N -2.55 5.04 0.00 4.85 3.84 0.51 -4.84 116.67 123.52 3hrd s ASP 208 Ca 0.05 -1.53 0.00 0.00 -0.00 0.00 0.00 52.55 51.06 3hrd s ASP 208 Cb 0.00 -1.76 0.00 0.00 -1.38 0.00 0.00 42.92 39.78 3hrd s ASP 208 CO -0.03 -0.36 0.00 0.47 -0.00 0.00 0.00 175.17 175.25 3hrd n ASP 209 N 4.62 0.00 0.25 2.11 8.00 -1.26 -1.17 116.55 129.09 3hrd n ASP 209 Ca -0.09 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.53 3hrd n ASP 209 Cb 0.43 0.00 0.66 0.00 -0.02 0.00 0.00 41.12 42.19 3hrd n ASP 209 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hrd h ALA 210 N 0.00 1.21 0.00 2.24 0.00 -2.05 -3.43 119.26 117.22 3hrd h ALA 210 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hrd h ALA 210 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hrd h ALA 210 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.45 3hrd n GLY 211 N -1.24 0.82 3.74 0.00 0.00 -0.32 -5.05 105.19 103.14 3hrd n GLY 211 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 3.63 -0.03 1.61 1.01 -1.22 -3.97 120.40 119.43 3hrd s VAL 212 Ca 0.00 1.40 -0.30 0.00 0.00 0.00 0.00 61.98 63.08 3hrd s VAL 212 Cb 0.00 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3hrd s VAL 212 CO 0.00 0.24 1.32 0.00 0.00 0.00 0.00 175.10 176.66 3hrd n THR 214 N 4.70 1.16 -3.90 0.00 -1.04 0.47 -0.88 114.28 114.78 3hrd n THR 214 Ca 0.12 -0.63 -0.11 0.00 -2.04 0.00 0.00 64.05 61.40 3hrd n THR 214 Cb 0.45 -0.77 -0.12 0.00 -1.82 0.00 0.00 70.33 68.07 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 -2.41 0.08 -0.06 -1.42 -0.00 -1.17 -4.86 118.94 109.10 3hrd s TRP 215 Ca -0.14 -0.15 -0.05 0.00 -0.00 0.00 0.00 56.10 55.76 3hrd s TRP 215 Cb 0.06 -0.07 0.02 0.00 -0.00 0.00 0.00 33.47 33.48 3hrd s TRP 215 CO 0.62 -0.12 0.15 0.00 -0.00 0.00 0.00 176.95 177.59 3hrd s ALA 216 N -0.72 -0.35 -0.06 5.86 0.00 -1.26 -1.70 121.76 123.53 3hrd s ALA 216 Ca -0.08 0.46 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 3hrd s ALA 216 Cb -0.05 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.82 3hrd s ALA 216 CO -0.00 -0.08 0.02 0.45 0.00 0.00 0.00 175.76 176.15 3hrd s SER 217 N 0.26 1.33 -0.12 0.00 0.15 0.56 -4.87 113.70 111.02 3hrd s SER 217 Ca -0.02 -0.02 -0.02 0.00 0.70 0.00 0.00 55.95 56.60 3hrd s SER 217 Cb -0.03 -0.32 0.04 0.00 -1.71 0.00 0.00 66.02 64.00 3hrd s SER 217 CO -0.01 -0.20 -0.00 -0.04 1.20 0.00 0.00 173.24 174.19 3hrd s MET 218 N 1.95 0.80 0.01 5.44 -1.94 -1.26 -0.84 119.30 123.46 3hrd s MET 218 Ca 0.04 -0.15 0.07 0.00 -1.71 0.00 0.00 55.69 53.93 3hrd s MET 218 Cb -0.12 -1.49 -0.02 0.00 2.01 0.00 0.00 34.83 35.21 3hrd s MET 218 CO -0.04 -0.42 -0.21 1.03 -0.01 0.00 0.00 175.02 175.37 3hrd s ARG 219 N 1.88 1.59 -0.93 2.03 1.81 0.20 -1.66 118.95 123.87 3hrd s ARG 219 Ca 0.03 -0.83 -0.04 0.00 -1.72 0.00 0.00 55.73 53.16 3hrd s ARG 219 Cb -0.14 -1.61 0.23 0.00 -0.45 0.00 0.00 34.95 32.98 3hrd s ARG 219 CO -0.07 0.43 0.84 0.20 -0.68 0.00 0.00 175.30 176.02 3hrd s GLY 220 N -0.77 3.06 0.28 -3.53 0.00 0.45 -1.77 107.32 105.05 3hrd s GLY 220 Ca 0.08 -3.78 -0.30 0.00 0.00 0.00 0.00 44.72 40.72 3hrd s GLY 220 CO 0.00 1.22 1.59 0.61 0.00 0.00 0.00 173.10 176.53 3hrd n GLY 221 N 2.57 1.31 2.72 0.20 0.00 0.13 -1.50 105.19 110.62 3hrd n GLY 221 Ca 0.21 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.70 3hrd n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd n ILE 223 N -2.36 2.78 0.00 0.00 5.41 -0.64 -4.89 119.36 119.67 3hrd n ILE 223 Ca 0.00 -2.69 0.00 0.00 1.00 0.00 0.00 62.75 61.06 3hrd n ILE 223 Cb 0.03 -0.47 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 3hrd n ILE 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hrd n GLY 224 N -1.09 0.62 0.28 7.39 0.00 -1.26 -4.58 105.19 106.55 3hrd n GLY 224 Ca 0.42 -0.85 0.03 0.00 0.00 0.00 0.00 46.02 45.63 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 0.61 -5.82 1.61 9.65 -1.93 -3.41 114.38 115.09 3hrd h ARG 225 Ca 0.00 -0.04 -0.58 0.00 -1.10 0.00 0.00 59.98 58.26 3hrd h ARG 225 Cb 0.00 -0.14 -0.14 0.00 -1.39 0.00 0.00 29.97 28.31 3hrd h ARG 225 CO 0.00 0.40 -0.68 0.71 2.80 0.00 0.00 179.97 183.20 3hrd s TYR 226 N -6.03 2.25 -0.20 2.20 2.02 -1.26 -4.15 117.35 112.17 3hrd s TYR 226 Ca -0.12 -0.55 -0.40 0.00 -0.37 0.00 0.00 57.07 55.63 3hrd s TYR 226 Cb 0.19 -1.27 -0.16 0.00 -0.40 0.00 0.00 41.96 40.32 3hrd s TYR 226 CO 0.77 0.50 1.63 -2.30 -1.57 0.00 0.00 175.55 174.58 3hrd n PRO 227 N -0.71 1.07 -1.73 -1.71 -0.02 -1.26 -4.73 135.00 125.90 3hrd n PRO 227 Ca -0.05 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 3hrd n PRO 227 Cb 0.63 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 3hrd n PRO 227 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hrd s LEU 228 N 2.77 4.27 -0.53 2.45 2.96 -0.56 -4.63 118.68 125.41 3hrd s LEU 228 Ca 0.96 2.46 -0.29 0.00 -0.22 0.00 0.00 54.13 57.04 3hrd s LEU 228 Cb -1.07 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 42.12 3hrd s LEU 228 CO 0.62 -1.16 1.17 -2.28 -1.32 0.00 0.00 176.35 173.38 3hrd s HIS 229 N 4.93 2.70 -1.41 5.38 5.65 -1.26 -0.41 115.29 130.87 3hrd s HIS 229 Ca 0.87 0.57 -0.08 0.00 0.25 0.00 0.00 55.06 56.67 3hrd s HIS 229 Cb -0.39 -4.48 0.06 0.00 -1.18 0.00 0.00 32.58 26.59 3hrd s HIS 229 CO 0.38 -1.44 2.47 1.19 -0.65 0.00 0.00 174.74 176.70 3hrd n PHE 230 N 8.17 2.64 0.08 3.88 3.72 -0.67 -4.77 117.46 130.51 3hrd n PHE 230 Ca 0.10 -2.90 -0.13 0.00 -0.05 0.00 0.00 57.45 54.47 3hrd n PHE 230 Cb 0.49 -2.08 -0.06 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 4.94 -0.53 -0.78 -1.08 3.64 -1.92 -1.57 116.57 119.27 3hrd h LYS 231 Ca 0.70 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 60.25 3hrd h LYS 231 Cb 0.36 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.21 3hrd h LYS 231 CO 1.61 -0.35 0.38 0.37 -2.27 0.00 0.00 179.45 179.18 3hrd h GLN 232 N -0.55 0.56 -0.62 1.90 4.15 -1.99 -0.94 115.11 117.63 3hrd h GLN 232 Ca 0.04 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 3hrd h GLN 232 Cb 0.61 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 3hrd h GLN 232 CO -0.26 0.37 0.25 0.00 -1.93 0.00 0.00 178.83 177.26 3hrd h ALA 233 N 1.51 0.80 -0.02 3.38 0.00 -1.80 -2.13 119.26 121.00 3hrd h ALA 233 Ca 0.41 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hrd h ALA 233 Cb 0.55 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hrd h ALA 233 CO -0.34 0.42 0.01 0.93 0.00 0.00 0.00 179.25 180.27 3hrd h GLU 234 N 0.86 0.03 -0.08 0.00 5.08 -0.30 -2.25 114.58 117.93 3hrd h GLU 234 Ca 0.21 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3hrd h GLU 234 Cb 0.20 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hrd h GLU 234 CO -0.02 0.10 0.09 0.93 -1.00 0.00 0.00 179.01 179.11 3hrd h GLU 235 N -0.04 0.00 0.00 2.33 5.08 -1.03 0.12 114.58 121.03 3hrd h GLU 235 Ca 0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3hrd h GLU 235 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3hrd h GLU 235 CO -0.00 0.00 -0.49 0.52 -1.00 0.00 0.00 179.01 178.04 3hrd h MET 236 N 0.00 0.00 0.16 2.33 2.86 -0.77 -3.25 114.93 116.25 3hrd h MET 236 Ca 0.04 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.34 3hrd h MET 236 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3hrd h MET 236 CO -0.00 0.49 -1.68 -0.07 1.06 0.00 0.00 176.91 176.71 3hrd h LEU 237 N 0.00 0.52 -9.46 1.22 3.38 -0.65 -3.46 115.31 106.86 3hrd h LEU 237 Ca -0.00 -0.77 -0.53 0.00 0.09 0.00 0.00 57.88 56.67 3hrd h LEU 237 Cb 0.94 -0.17 0.03 0.00 0.09 0.00 0.00 40.66 41.55 3hrd h LEU 237 CO 0.06 1.64 1.11 -0.69 0.09 0.00 0.00 178.44 180.65 3hrd s VAL 238 N -2.59 2.75 0.00 1.22 1.01 -0.78 -2.61 120.40 119.40 3hrd s VAL 238 Ca -0.13 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3hrd s VAL 238 Cb 0.06 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3hrd s VAL 238 CO 0.85 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.56 3hrd n GLY 239 N 4.23 0.73 3.32 4.51 0.00 -0.06 -4.96 105.19 112.97 3hrd n GLY 239 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.04 0.91 4.61 0.00 -1.07 -4.86 121.76 119.31 3hrd s ALA 240 Ca 0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 51.96 51.02 3hrd s ALA 240 Cb 0.00 0.81 0.14 0.00 0.00 0.00 0.00 23.12 24.07 3hrd s ALA 240 CO 0.00 -0.63 1.12 -2.14 0.00 0.00 0.00 175.76 174.11 3hrd s PRO 241 N -3.95 1.10 -0.35 0.00 0.02 -1.26 -0.67 135.00 129.88 3hrd s PRO 241 Ca 0.15 1.35 -0.10 0.00 0.02 0.00 0.00 61.00 62.43 3hrd s PRO 241 Cb 0.03 -1.75 0.02 0.00 0.02 0.00 0.00 34.50 32.82 3hrd s PRO 241 CO -0.02 -2.51 0.18 -0.51 -0.33 0.00 0.00 177.00 173.81 3hrd s LEU 242 N -6.50 4.46 0.09 -5.54 1.43 -1.25 -4.79 118.68 106.57 3hrd s LEU 242 Ca 0.65 -0.86 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3hrd s LEU 242 Cb -0.21 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 3hrd s LEU 242 CO 0.58 -0.32 -0.07 0.28 0.23 0.00 0.00 176.35 177.05 3hrd s THR 243 N 1.55 0.68 0.20 5.49 -1.32 -1.26 -5.02 115.64 115.97 3hrd s THR 243 Ca 0.02 -1.74 -0.12 0.00 -1.21 0.00 0.00 61.69 58.64 3hrd s THR 243 Cb -0.18 -1.44 0.18 0.00 -1.51 0.00 0.00 72.50 69.54 3hrd s THR 243 CO 0.06 -0.75 1.67 0.24 -2.21 0.00 0.00 174.62 173.63 3hrd h MET 244 N 3.32 0.10 0.00 7.08 2.86 -1.97 0.67 114.93 127.00 3hrd h MET 244 Ca -0.36 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.23 3hrd h MET 244 Cb 1.17 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 3hrd h MET 244 CO 0.59 0.07 -0.22 1.05 1.06 0.00 0.00 176.91 179.46 3hrd h GLU 245 N 0.11 0.00 0.06 1.72 4.11 -1.98 0.24 114.58 118.84 3hrd h GLU 245 Ca 0.30 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.49 3hrd h GLU 245 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3hrd h GLU 245 CO -0.50 0.22 -1.09 0.00 0.07 0.00 0.00 179.01 177.70 3hrd h THR 246 N 0.00 1.60 0.14 -1.06 1.03 -1.34 -2.53 112.91 110.76 3hrd h THR 246 Ca -0.00 -3.19 -0.30 0.00 -0.01 0.00 0.00 66.41 62.90 3hrd h THR 246 Cb 0.43 2.86 0.03 0.00 -1.07 0.00 0.00 68.15 70.40 3hrd h THR 246 CO 0.03 0.92 -1.28 0.24 -0.01 0.00 0.00 175.52 175.42 3hrd h MET 247 N 0.04 0.59 0.00 0.00 2.86 -0.55 -3.18 114.93 114.69 3hrd h MET 247 Ca -0.07 -0.82 -0.06 0.00 -2.06 0.00 0.00 59.70 56.69 3hrd h MET 247 Cb 1.83 0.28 -0.01 0.00 0.06 0.00 0.00 31.60 33.76 3hrd h MET 247 CO 0.16 1.38 -0.27 0.93 1.06 0.00 0.00 176.91 180.17 3hrd h GLU 248 N 0.25 0.00 -0.02 1.72 5.08 -0.62 -1.92 114.58 119.07 3hrd h GLU 248 Ca -0.19 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3hrd h GLU 248 Cb 1.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.20 3hrd h GLU 248 CO 0.24 0.27 0.09 0.00 -1.00 0.00 0.00 179.01 178.61 3hrd h ALA 249 N 1.73 1.22 0.00 3.43 0.00 -1.42 0.22 119.26 124.43 3hrd h ALA 249 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hrd h ALA 249 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hrd h ALA 249 CO 0.03 -0.10 -0.37 1.79 0.00 0.00 0.00 179.25 180.61 3hrd h THR 250 N 0.00 0.00 -0.57 0.00 1.35 -1.47 -3.38 112.91 108.84 3hrd h THR 250 Ca 0.01 -0.50 0.11 0.00 -0.55 0.00 0.00 66.41 65.48 3hrd h THR 250 Cb 0.19 1.26 -0.11 0.00 -1.73 0.00 0.00 68.15 67.76 3hrd h THR 250 CO -0.00 0.00 -0.16 -0.07 -0.25 0.00 0.00 175.52 175.04 3hrd h LEU 251 N 0.00 -0.60 -2.22 3.87 4.07 -0.67 0.48 115.31 120.24 3hrd h LEU 251 Ca 0.00 0.18 -0.01 0.00 0.08 0.00 0.00 57.88 58.13 3hrd h LEU 251 Cb 0.75 0.38 -0.00 0.00 1.08 0.00 0.00 40.66 42.87 3hrd h LEU 251 CO 0.00 -0.21 -0.03 -0.65 -1.08 0.00 0.00 178.44 176.47 3hrd h PRO 252 N -0.02 0.00 -0.24 1.13 0.11 -1.76 -0.96 132.00 130.25 3hrd h PRO 252 Ca 0.27 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.26 3hrd h PRO 252 Cb 0.44 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 3hrd h PRO 252 CO -0.60 0.03 -0.32 0.82 -0.21 0.00 0.00 178.00 177.72 3hrd h ILE 253 N 0.00 1.32 -0.45 4.15 1.08 -0.36 -0.79 117.51 122.46 3hrd h ILE 253 Ca -0.00 -1.51 -0.01 0.00 -0.39 0.00 0.00 64.86 62.95 3hrd h ILE 253 Cb 0.07 1.72 -0.02 0.00 -3.07 0.00 0.00 36.82 35.52 3hrd h ILE 253 CO 0.00 0.47 0.24 -0.07 -0.69 0.00 0.00 178.15 178.10 3hrd h LEU 254 N 0.35 0.57 0.16 1.44 3.38 -0.12 -0.68 115.31 120.41 3hrd h LEU 254 Ca 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hrd h LEU 254 Cb 0.90 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3hrd h LEU 254 CO 0.08 0.51 -0.33 -0.74 0.09 0.00 0.00 178.44 178.05 3hrd h HIS 255 N 0.59 -0.94 -0.78 1.13 2.76 -1.10 -1.21 115.15 115.59 3hrd h HIS 255 Ca 0.16 0.02 0.14 0.00 -2.20 0.00 0.00 60.37 58.48 3hrd h HIS 255 Cb 0.08 0.39 -0.09 0.00 1.55 0.00 0.00 27.41 29.33 3hrd h HIS 255 CO -0.02 -0.39 0.35 -0.44 -1.30 0.00 0.00 177.93 176.13 3hrd h ASP 256 N -0.53 0.38 1.10 3.26 3.32 -0.99 -1.70 116.42 121.26 3hrd h ASP 256 Ca -0.02 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 3hrd h ASP 256 Cb 0.51 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3hrd h ASP 256 CO -0.13 0.16 -0.25 0.00 -1.72 0.00 0.00 179.24 177.30 3hrd h THR 257 N 0.52 0.55 -0.16 0.35 1.03 -0.89 -1.41 112.91 112.90 3hrd h THR 257 Ca 0.43 -1.29 -0.11 0.00 -0.01 0.00 0.00 66.41 65.43 3hrd h THR 257 Cb 0.61 1.89 0.00 0.00 -1.07 0.00 0.00 68.15 69.58 3hrd h THR 257 CO -0.38 0.25 -0.32 0.58 -0.01 0.00 0.00 175.52 175.64 3hrd h VAL 258 N 0.00 1.35 -0.14 0.00 2.07 -0.34 -0.18 116.25 119.01 3hrd h VAL 258 Ca -0.00 -1.57 -0.08 0.00 0.82 0.00 0.00 66.70 65.86 3hrd h VAL 258 Cb 0.87 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 3hrd h VAL 258 CO 0.03 0.47 -0.28 0.22 0.02 0.00 0.00 177.57 178.03 3hrd h TYR 259 N 0.14 0.29 0.11 1.57 3.20 -1.28 0.39 116.97 121.39 3hrd h TYR 259 Ca 0.01 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 3hrd h TYR 259 Cb 0.92 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.11 3hrd h TYR 259 CO 0.10 0.53 -0.05 0.22 -1.64 0.00 0.00 178.16 177.31 3hrd h ASP 260 N 0.23 -0.13 1.16 -2.11 3.58 -1.22 -3.02 116.42 114.92 3hrd h ASP 260 Ca 0.03 -0.16 -0.06 0.00 0.42 0.00 0.00 57.03 57.26 3hrd h ASP 260 Cb 0.63 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 3hrd h ASP 260 CO 0.05 0.43 -0.29 0.24 -2.88 0.00 0.00 179.24 176.79 3hrd h MET 261 N -1.01 0.00 -0.42 0.28 2.86 -1.08 -3.10 114.93 112.45 3hrd h MET 261 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3hrd h MET 261 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 3hrd h MET 261 CO 0.03 0.29 0.00 0.00 1.06 0.00 0.00 176.91 178.28 3hrd n ALA 262 N -2.22 3.45 -0.32 6.32 0.00 0.14 -4.73 120.51 123.15 3hrd n ALA 262 Ca 0.01 -2.12 0.10 0.00 0.00 0.00 0.00 53.44 51.43 3hrd n ALA 262 Cb 0.52 -0.92 0.20 0.00 0.00 0.00 0.00 19.45 19.25 3hrd n ALA 262 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3hrd n ARG 263 N 0.06 -0.08 -0.00 0.00 0.63 -1.14 -0.26 116.66 115.88 3hrd n ARG 263 Ca 0.25 1.38 0.14 0.00 -0.92 0.00 0.00 57.85 58.69 3hrd n ARG 263 Cb 1.05 -2.12 0.55 0.00 0.45 0.00 0.00 32.46 32.39 3hrd n ARG 263 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hrd n ALA 264 N -3.43 2.58 -1.77 5.13 0.00 -1.26 -4.91 120.51 116.85 3hrd n ALA 264 Ca 0.18 -0.43 -0.39 0.00 0.00 0.00 0.00 53.44 52.80 3hrd n ALA 264 Cb 0.58 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 3hrd n ALA 264 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hrd s ARG 265 N -2.00 4.30 0.41 0.00 1.81 0.65 -4.94 118.95 119.18 3hrd s ARG 265 Ca 0.39 1.87 0.09 0.00 -1.72 0.00 0.00 55.73 56.35 3hrd s ARG 265 Cb 0.21 -2.89 0.88 0.00 -0.45 0.00 0.00 34.95 32.70 3hrd s ARG 265 CO 0.34 -0.12 2.01 -1.00 -0.68 0.00 0.00 175.30 175.85 3hrd h PRO 266 N 3.12 0.36 -0.37 3.54 0.13 -1.91 -3.08 132.00 133.79 3hrd h PRO 266 Ca -0.48 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.50 3hrd h PRO 266 Cb 1.22 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 3hrd h PRO 266 CO 0.64 0.32 0.03 0.43 -0.23 0.00 0.00 178.00 179.19 3hrd n SER 267 N -4.41 3.50 -0.29 1.44 7.64 -1.26 -4.74 113.62 115.50 3hrd n SER 267 Ca 0.01 -3.32 0.07 0.00 1.01 0.00 0.00 58.87 56.64 3hrd n SER 267 Cb 0.14 -0.61 0.22 0.00 -1.01 0.00 0.00 64.21 62.95 3hrd n SER 267 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 3hrd h VAL 268 N 1.58 0.73 -0.15 0.44 3.04 -1.81 -0.12 116.25 119.95 3hrd h VAL 268 Ca 0.13 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 3hrd h VAL 268 Cb 1.67 0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 31.00 3hrd h VAL 268 CO 0.37 0.11 0.09 -0.07 -1.01 0.00 0.00 177.57 177.06 3hrd h LEU 269 N 0.61 0.17 0.07 3.16 3.38 -1.87 -0.78 115.31 120.05 3hrd h LEU 269 Ca 0.46 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 58.23 3hrd h LEU 269 Cb 0.65 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3hrd h LEU 269 CO -0.36 0.13 -0.96 0.22 0.09 0.00 0.00 178.44 177.55 3hrd h TYR 270 N 0.20 0.27 -0.02 1.13 3.20 -1.49 -3.38 116.97 116.89 3hrd h TYR 270 Ca 0.05 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.69 3hrd h TYR 270 Cb -0.01 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3hrd h TYR 270 CO 0.00 1.38 -0.21 0.87 -1.64 0.00 0.00 178.16 178.56 3hrd h LYS 271 N -0.62 0.03 0.00 1.82 1.57 -0.88 -0.90 116.57 117.58 3hrd h LYS 271 Ca -0.22 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3hrd h LYS 271 Cb 1.47 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.78 3hrd h LYS 271 CO 0.00 0.23 0.00 1.57 -0.57 0.00 0.00 179.45 180.69 3hrd h LYS 272 N 0.03 0.00 0.00 3.15 2.10 -1.32 -0.89 116.57 119.64 3hrd h LYS 272 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hrd h LYS 272 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 3hrd h LYS 272 CO 0.03 0.00 -0.54 0.39 -2.00 0.00 0.00 179.45 177.33 3hrd n GLU 273 N -2.73 0.36 0.03 0.07 -0.58 -0.49 -4.45 120.64 112.85 3hrd n GLU 273 Ca -0.00 0.32 0.21 0.00 -0.42 0.00 0.00 57.16 57.27 3hrd n GLU 273 Cb 0.19 -1.32 0.73 0.00 -0.57 0.00 0.00 31.44 30.46 3hrd n GLU 273 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3hrd h SER 274 N -0.73 0.00 0.08 1.62 4.64 -1.22 0.19 113.55 118.12 3hrd h SER 274 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hrd h SER 274 Cb 0.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3hrd h SER 274 CO 0.00 0.00 -0.02 1.62 -0.87 0.00 0.00 176.83 177.56 3hrd h VAL 275 N 0.00 0.38 0.09 0.95 3.04 -1.39 0.62 116.25 119.95 3hrd h VAL 275 Ca 0.24 -0.09 -0.27 0.00 -1.01 0.00 0.00 66.70 65.57 3hrd h VAL 275 Cb 1.09 1.06 0.01 0.00 -2.01 0.00 0.00 31.29 31.45 3hrd h VAL 275 CO -0.00 0.02 -1.16 1.56 -1.01 0.00 0.00 177.57 176.98 3hrd h GLN 276 N 0.00 0.45 -0.33 4.17 4.20 -0.86 -2.22 115.11 120.52 3hrd h GLN 276 Ca -0.00 -0.61 -0.15 0.00 0.06 0.00 0.00 58.65 57.95 3hrd h GLN 276 Cb 0.06 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3hrd h GLN 276 CO 0.00 1.25 -0.41 0.78 -0.67 0.00 0.00 178.83 179.78 3hrd h GLY 277 N 0.96 0.89 0.93 3.46 0.00 -1.22 -2.66 103.07 105.43 3hrd h GLY 277 Ca -0.14 -0.92 -0.02 0.00 0.00 0.00 0.00 47.33 46.25 3hrd h GLY 277 CO 0.21 0.83 -0.31 -2.08 0.00 0.00 0.00 176.54 175.19 3hrd h VAL 278 N 0.67 0.37 0.00 4.60 2.07 -0.94 -3.02 116.25 119.99 3hrd h VAL 278 Ca 0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3hrd h VAL 278 Cb 0.98 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3hrd h VAL 278 CO 0.09 0.00 -0.15 -0.26 0.02 0.00 0.00 177.57 177.28 3hrd h PHE 279 N -0.81 0.00 -0.72 1.57 0.04 -1.44 -1.98 116.94 113.60 3hrd h PHE 279 Ca -0.07 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.65 3hrd h PHE 279 Cb 0.64 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 3hrd h PHE 279 CO -0.07 0.15 0.25 0.87 -0.60 0.00 0.00 178.31 178.91 3hrd h LYS 280 N 0.00 1.10 -0.54 1.51 1.57 -1.36 0.58 116.57 119.43 3hrd h LYS 280 Ca -0.00 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 3hrd h LYS 280 Cb 0.42 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3hrd h LYS 280 CO 0.02 0.93 -0.02 0.87 -0.57 0.00 0.00 179.45 180.68 3hrd h LYS 281 N 1.05 0.94 -0.69 3.15 1.57 -1.27 -1.54 116.57 119.78 3hrd h LYS 281 Ca 0.23 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3hrd h LYS 281 Cb 0.27 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3hrd h LYS 281 CO -0.01 0.94 0.26 -0.07 -0.57 0.00 0.00 179.45 180.00 3hrd h LEU 282 N 0.86 0.96 -0.34 2.94 3.38 -0.63 -1.68 115.31 120.80 3hrd h LEU 282 Ca 0.16 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3hrd h LEU 282 Cb 0.53 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3hrd h LEU 282 CO 0.03 0.88 0.14 -0.26 0.09 0.00 0.00 178.44 179.32 3hrd h PHE 283 N 0.98 0.25 0.05 1.13 0.04 0.77 -0.22 116.94 119.94 3hrd h PHE 283 Ca 0.23 0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.04 3hrd h PHE 283 Cb 0.23 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.28 3hrd h PHE 283 CO 0.02 0.12 -0.23 0.28 -0.60 0.00 0.00 178.31 177.90 3hrd h VAL 284 N 0.30 0.47 -0.14 -0.55 2.07 -0.98 -1.12 116.25 116.30 3hrd h VAL 284 Ca 0.15 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.72 3hrd h VAL 284 Cb 0.10 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 3hrd h VAL 284 CO -0.13 0.00 -0.31 -0.78 0.02 0.00 0.00 177.57 176.37 3hrd h ASP 285 N -0.39 -0.95 -0.34 0.57 3.58 -0.85 -0.93 116.42 117.11 3hrd h ASP 285 Ca 0.05 0.14 0.05 0.00 0.42 0.00 0.00 57.03 57.69 3hrd h ASP 285 Cb 0.45 0.41 -0.04 0.00 1.72 0.00 0.00 39.33 41.86 3hrd h ASP 285 CO -0.18 -0.35 0.08 0.40 -2.88 0.00 0.00 179.24 176.32 3hrd h ILE 286 N -0.37 0.85 -0.40 2.25 1.08 -0.86 -2.32 117.51 117.73 3hrd h ILE 286 Ca 0.10 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.49 3hrd h ILE 286 Cb 0.53 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 3hrd h ILE 286 CO -0.35 0.04 0.20 0.25 -0.69 0.00 0.00 178.15 177.60 3hrd h LEU 287 N 0.20 0.51 -1.41 1.44 5.85 -0.87 -2.29 115.31 118.75 3hrd h LEU 287 Ca 0.16 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 3hrd h LEU 287 Cb 0.17 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3hrd h LEU 287 CO -0.20 0.48 -0.22 0.44 -0.34 0.00 0.00 178.44 178.60 3hrd h ASP 288 N 0.51 0.11 -0.29 1.25 5.19 -1.02 -2.07 116.42 120.10 3hrd h ASP 288 Ca 0.14 -0.03 -0.15 0.00 -0.62 0.00 0.00 57.03 56.38 3hrd h ASP 288 Cb 0.09 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 3hrd h ASP 288 CO -0.02 0.34 -0.39 1.56 -3.12 0.00 0.00 179.24 177.61 3hrd h GLN 289 N 0.11 0.78 0.00 3.56 4.20 -1.12 -3.04 115.11 119.59 3hrd h GLN 289 Ca 0.02 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.28 3hrd h GLN 289 Cb 0.45 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3hrd h GLN 289 CO 0.03 1.07 0.00 -0.07 -0.67 0.00 0.00 178.83 179.20 3hrd h LEU 290 N 0.53 0.00 -1.79 1.46 3.38 -1.12 -3.49 115.31 114.28 3hrd h LEU 290 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hrd h LEU 290 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3hrd h LEU 290 CO 0.09 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.00