#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 4.18 -0.19 3.17 -0.14 -1.25 -3.24 119.74 122.27 3hrd s LYS 2 Ca 0.00 2.34 0.01 0.00 -1.36 0.00 0.00 55.97 56.95 3hrd s LYS 2 Cb 0.00 -3.91 0.04 0.00 -1.68 0.00 0.00 37.83 32.28 3hrd s LYS 2 CO 0.00 -0.84 -0.10 0.15 -0.76 0.00 0.00 175.35 173.80 3hrd s LYS 3 N 3.72 1.97 0.55 1.68 1.02 0.27 -4.91 119.74 124.05 3hrd s LYS 3 Ca 0.77 -0.80 -0.19 0.00 0.02 0.00 0.00 55.97 55.78 3hrd s LYS 3 Cb -0.38 -2.36 -0.05 0.00 -0.52 0.00 0.00 37.83 34.52 3hrd s LYS 3 CO 0.33 -0.42 1.10 1.03 -0.92 0.00 0.00 175.35 176.47 3hrd s ARG 4 N 1.43 3.38 -0.08 1.68 0.52 -1.26 -2.03 118.95 122.58 3hrd s ARG 4 Ca -0.01 1.49 -0.08 0.00 -0.52 0.00 0.00 55.73 56.62 3hrd s ARG 4 Cb -0.16 -2.02 0.02 0.00 0.52 0.00 0.00 34.95 33.31 3hrd s ARG 4 CO -0.08 -0.81 0.22 0.20 0.02 0.00 0.00 175.30 174.85 3hrd s GLY 5 N -2.01 -0.15 -0.20 -3.53 0.00 0.21 -3.95 107.32 97.68 3hrd s GLY 5 Ca 0.70 0.58 0.01 0.00 0.00 0.00 0.00 44.72 46.01 3hrd s GLY 5 CO 0.28 0.49 -0.11 0.54 0.00 0.00 0.00 173.10 174.30 3hrd s LYS 6 N 0.03 2.15 0.35 2.90 1.02 -1.26 0.53 119.74 125.47 3hrd s LYS 6 Ca -0.01 -0.87 0.08 0.00 0.02 0.00 0.00 55.97 55.19 3hrd s LYS 6 Cb -0.02 -2.45 -0.05 0.00 -0.52 0.00 0.00 37.83 34.79 3hrd s LYS 6 CO 0.00 -0.41 0.11 0.20 -0.92 0.00 0.00 175.35 174.33 3hrd s GLY 7 N 1.36 2.06 0.06 -3.33 0.00 0.43 -4.60 107.32 103.31 3hrd s GLY 7 Ca -0.01 -1.93 0.03 0.00 0.00 0.00 0.00 44.72 42.82 3hrd s GLY 7 CO -0.08 -1.83 -0.10 0.54 0.00 0.00 0.00 173.10 171.62 3hrd s VAL 8 N -2.49 0.77 -0.30 1.40 0.11 -1.26 -1.58 120.40 117.05 3hrd s VAL 8 Ca 0.37 -1.20 -0.08 0.00 -2.93 0.00 0.00 61.98 58.14 3hrd s VAL 8 Cb -0.00 -0.82 0.15 0.00 -1.53 0.00 0.00 36.38 34.18 3hrd s VAL 8 CO 0.22 -0.34 0.71 -0.83 -3.33 0.00 0.00 175.10 171.53 3hrd s GLY 9 N -1.69 -0.70 0.33 6.54 0.00 -0.23 -4.39 107.32 107.18 3hrd s GLY 9 Ca -0.06 2.34 0.07 0.00 0.00 0.00 0.00 44.72 47.07 3hrd s GLY 9 CO 0.01 3.22 0.33 -0.56 0.00 0.00 0.00 173.10 176.10 3hrd s SER 10 N 2.82 5.47 0.18 1.64 0.01 -1.26 -0.91 113.70 121.65 3hrd s SER 10 Ca 0.02 -0.41 -0.21 0.00 1.31 0.00 0.00 55.95 56.66 3hrd s SER 10 Cb -0.12 -1.06 0.05 0.00 0.21 0.00 0.00 66.02 65.10 3hrd s SER 10 CO -0.19 -0.35 0.58 -0.32 0.41 0.00 0.00 173.24 173.37 3hrd s MET 11 N -4.03 1.34 0.02 12.44 0.00 0.99 -4.83 119.30 125.23 3hrd s MET 11 Ca 0.41 -0.62 0.01 0.00 0.00 0.00 0.00 55.69 55.49 3hrd s MET 11 Cb -0.07 0.57 -0.02 0.00 0.00 0.00 0.00 34.83 35.32 3hrd s MET 11 CO 0.28 -0.58 -0.04 1.67 0.00 0.00 0.00 175.02 176.34 3hrd s TRP 12 N -3.79 0.33 -0.07 4.11 1.48 -1.26 -1.35 118.94 118.39 3hrd s TRP 12 Ca 0.04 -0.39 -0.03 0.00 -1.06 0.00 0.00 56.10 54.65 3hrd s TRP 12 Cb -0.01 -0.22 0.04 0.00 -1.16 0.00 0.00 33.47 32.12 3hrd s TRP 12 CO -0.09 -0.12 0.16 -0.47 -4.06 0.00 0.00 176.95 172.38 3hrd s TYR 13 N -1.08 -0.19 0.18 1.66 5.04 0.82 -4.93 117.35 118.85 3hrd s TYR 13 Ca -0.10 0.54 -0.30 0.00 -2.44 0.00 0.00 57.07 54.77 3hrd s TYR 13 Cb -0.08 -0.09 -0.08 0.00 0.35 0.00 0.00 41.96 42.07 3hrd s TYR 13 CO -0.00 -0.19 1.18 0.20 -1.34 0.00 0.00 175.55 175.39 3hrd s GLY 14 N 1.33 2.71 -0.27 8.97 0.00 -1.26 -0.35 107.32 118.45 3hrd s GLY 14 Ca -0.08 0.92 -0.15 0.00 0.00 0.00 0.00 44.72 45.42 3hrd s GLY 14 CO -0.06 1.81 0.36 -0.42 0.00 0.00 0.00 173.10 174.79 3hrd s ILE 15 N -0.09 5.18 0.00 0.90 -1.09 -0.87 -4.92 121.20 120.32 3hrd s ILE 15 Ca 0.52 0.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.46 3hrd s ILE 15 Cb -0.32 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 3hrd s ILE 15 CO 0.36 0.15 0.00 0.61 -1.23 0.00 0.00 174.94 174.83 3hrd n GLY 16 N 4.72 2.32 3.75 6.18 0.00 -0.99 -4.60 105.19 116.58 3hrd n GLY 16 Ca -0.09 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 3hrd n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hrd s ASN 17 N 0.00 6.54 -0.17 1.61 0.01 -1.26 -4.87 114.94 116.80 3hrd s ASN 17 Ca 0.00 2.81 -0.29 0.00 -0.71 0.00 0.00 52.86 54.68 3hrd s ASN 17 Cb 0.00 -2.64 -0.05 0.00 0.41 0.00 0.00 41.25 38.97 3hrd s ASN 17 CO 0.00 -0.77 2.09 0.28 -1.51 0.00 0.00 177.10 177.19 3hrd s THR 18 N -0.31 3.09 -1.57 1.60 -1.32 -1.26 -3.41 115.64 112.46 3hrd s THR 18 Ca 0.58 0.10 -0.14 0.00 -1.21 0.00 0.00 61.69 61.02 3hrd s THR 18 Cb -0.44 -3.11 0.10 0.00 -1.51 0.00 0.00 72.50 67.54 3hrd s THR 18 CO 0.49 -0.05 0.89 0.61 -2.21 0.00 0.00 174.62 174.35 3hrd n GLY 19 N 5.38 -0.46 3.21 6.08 0.00 -0.49 -4.98 105.19 113.93 3hrd n GLY 19 Ca 0.26 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 3hrd n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrd s LEU 20 N -7.24 1.08 -0.01 0.99 1.43 -1.22 -4.42 118.68 109.28 3hrd s LEU 20 Ca 0.63 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.28 3hrd s LEU 20 Cb -0.33 1.14 -0.04 0.00 0.03 0.00 0.00 46.19 47.00 3hrd s LEU 20 CO 0.86 -0.52 1.16 -2.16 0.23 0.00 0.00 176.35 175.92 3hrd s PRO 21 N -2.03 4.41 -0.44 1.29 0.04 -1.26 -4.69 135.00 132.32 3hrd s PRO 21 Ca -0.09 1.65 0.05 0.00 0.04 0.00 0.00 61.00 62.65 3hrd s PRO 21 Cb -0.03 -3.48 0.17 0.00 0.04 0.00 0.00 34.50 31.20 3hrd s PRO 21 CO -0.00 -0.33 0.47 0.54 0.04 0.00 0.00 177.00 177.72 3hrd s ASN 22 N 1.26 0.43 0.87 6.66 4.22 -1.26 -5.05 114.94 122.07 3hrd s ASN 22 Ca 0.56 -2.32 -0.09 0.00 -2.14 0.00 0.00 52.86 48.87 3hrd s ASN 22 Cb -0.25 0.53 0.18 0.00 1.28 0.00 0.00 41.25 42.99 3hrd s ASN 22 CO 0.25 -0.15 1.19 -2.16 -2.04 0.00 0.00 177.10 174.19 3hrd s PRO 23 N 0.62 0.99 0.02 3.55 0.04 -1.26 -4.59 135.00 134.36 3hrd s PRO 23 Ca 0.28 -0.81 -0.18 0.00 0.04 0.00 0.00 61.00 60.33 3hrd s PRO 23 Cb -0.02 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.49 3hrd s PRO 23 CO -0.11 -2.06 0.40 0.00 0.04 0.00 0.00 177.00 175.27 3hrd s ALA 24 N -3.58 -0.99 0.27 8.56 0.00 -0.89 -3.68 121.76 121.45 3hrd s ALA 24 Ca 0.72 0.40 0.06 0.00 0.00 0.00 0.00 51.96 53.13 3hrd s ALA 24 Cb -0.04 0.23 -0.06 0.00 0.00 0.00 0.00 23.12 23.25 3hrd s ALA 24 CO 0.49 -0.39 -0.05 0.00 0.00 0.00 0.00 175.76 175.82 3hrd s ALA 25 N -2.01 2.22 0.07 0.00 0.00 -0.01 -1.73 121.76 120.31 3hrd s ALA 25 Ca -0.08 -1.86 -0.24 0.00 0.00 0.00 0.00 51.96 49.77 3hrd s ALA 25 Cb -0.02 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.40 3hrd s ALA 25 CO 0.01 -0.10 0.56 0.00 0.00 0.00 0.00 175.76 176.23 3hrd s ALA 26 N -3.10 -1.46 0.13 0.00 0.00 0.10 -4.19 121.76 113.25 3hrd s ALA 26 Ca 0.29 0.66 0.07 0.00 0.00 0.00 0.00 51.96 52.98 3hrd s ALA 26 Cb 0.04 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 3hrd s ALA 26 CO 0.11 -0.56 -0.17 -0.06 0.00 0.00 0.00 175.76 175.08 3hrd s PHE 27 N -2.66 1.64 -0.09 0.00 0.08 0.07 -0.91 117.98 116.12 3hrd s PHE 27 Ca -0.04 -0.49 -0.15 0.00 0.12 0.00 0.00 56.93 56.37 3hrd s PHE 27 Cb -0.00 -0.85 0.03 0.00 -0.57 0.00 0.00 43.02 41.63 3hrd s PHE 27 CO -0.03 0.23 0.37 0.54 -0.10 0.00 0.00 175.22 176.22 3hrd s VAL 28 N -1.90 0.02 -0.05 -0.44 0.11 -0.45 -1.16 120.40 116.54 3hrd s VAL 28 Ca 0.11 -0.19 -0.02 0.00 -2.93 0.00 0.00 61.98 58.95 3hrd s VAL 28 Cb -0.06 -0.59 0.04 0.00 -1.53 0.00 0.00 36.38 34.23 3hrd s VAL 28 CO 0.05 -0.11 0.10 -0.70 -3.33 0.00 0.00 175.10 171.11 3hrd s GLU 29 N -0.49 0.02 -0.19 1.54 2.12 -0.26 -1.33 118.70 120.11 3hrd s GLU 29 Ca -0.06 0.33 -0.10 0.00 0.36 0.00 0.00 54.97 55.50 3hrd s GLU 29 Cb -0.04 -0.24 -0.05 0.00 0.26 0.00 0.00 34.13 34.06 3hrd s GLU 29 CO 0.02 -0.20 0.14 0.42 -0.54 0.00 0.00 175.26 175.11 3hrd s ILE 30 N 1.34 5.41 0.49 -3.70 1.09 -0.72 -0.32 121.20 124.79 3hrd s ILE 30 Ca -0.07 0.21 -0.01 0.00 -1.10 0.00 0.00 60.65 59.68 3hrd s ILE 30 Cb -0.12 -3.47 0.00 0.00 -1.06 0.00 0.00 42.46 37.81 3hrd s ILE 30 CO -0.05 0.45 0.73 -1.00 -0.10 0.00 0.00 174.94 174.97 3hrd s HIS 31 N 0.28 3.19 0.66 3.97 3.76 0.83 -4.51 115.29 123.47 3hrd s HIS 31 Ca 0.09 0.29 0.33 0.00 -0.15 0.00 0.00 55.06 55.62 3hrd s HIS 31 Cb -0.11 -2.45 1.79 0.00 1.11 0.00 0.00 32.58 32.92 3hrd s HIS 31 CO -0.01 -0.51 2.01 0.78 -0.85 0.00 0.00 174.74 176.16 3hrd h GLY 32 N 0.24 0.00 -2.66 -2.22 0.00 -1.94 0.28 103.07 96.77 3hrd h GLY 32 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3hrd h GLY 32 CO 0.57 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.20 3hrd n ASP 33 N -2.97 4.18 0.00 0.19 5.75 -1.26 -4.78 116.55 117.67 3hrd n ASP 33 Ca -0.02 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.55 3hrd n ASP 33 Cb 0.32 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 3hrd n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hrd n GLY 34 N 1.24 0.61 4.00 6.12 0.00 0.09 -4.97 105.19 112.28 3hrd n GLY 34 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 3hrd n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hrd s SER 35 N -2.15 4.75 0.16 1.61 1.04 -1.26 -4.81 113.70 113.04 3hrd s SER 35 Ca 0.00 -0.43 -0.20 0.00 0.48 0.00 0.00 55.95 55.81 3hrd s SER 35 Cb 0.00 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.05 3hrd s SER 35 CO 0.00 -1.56 0.52 0.00 0.98 0.00 0.00 173.24 173.18 3hrd s ALA 36 N -2.92 -1.24 -0.01 5.32 0.00 -0.84 -0.12 121.76 121.95 3hrd s ALA 36 Ca 0.63 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.81 3hrd s ALA 36 Cb -0.06 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 3hrd s ALA 36 CO 0.41 -0.74 -0.20 -0.80 0.00 0.00 0.00 175.76 174.44 3hrd s ASN 37 N -2.79 3.61 -0.03 0.00 0.01 0.56 -1.15 114.94 115.15 3hrd s ASN 37 Ca 0.03 -0.37 0.01 0.00 -0.71 0.00 0.00 52.86 51.83 3hrd s ASN 37 Cb -0.00 -0.59 0.02 0.00 0.41 0.00 0.00 41.25 41.09 3hrd s ASN 37 CO -0.10 0.31 -0.05 -0.69 -1.51 0.00 0.00 177.10 175.05 3hrd s VAL 38 N -0.76 0.56 -0.13 1.60 1.01 -0.20 -1.11 120.40 121.38 3hrd s VAL 38 Ca 0.12 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3hrd s VAL 38 Cb -0.10 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.74 3hrd s VAL 38 CO 0.02 0.21 -0.14 -0.04 0.00 0.00 0.00 175.10 175.15 3hrd s MET 39 N 0.63 2.16 -0.05 2.72 -1.94 -0.31 -1.41 119.30 121.11 3hrd s MET 39 Ca -0.09 -0.52 -0.06 0.00 -1.71 0.00 0.00 55.69 53.31 3hrd s MET 39 Cb -0.12 -1.94 0.01 0.00 2.01 0.00 0.00 34.83 34.80 3hrd s MET 39 CO 0.00 -0.16 0.17 -0.59 -0.01 0.00 0.00 175.02 174.43 3hrd s PHE 40 N 1.28 -0.14 0.37 -0.03 -0.71 -0.89 -0.75 117.98 117.11 3hrd s PHE 40 Ca -0.00 0.33 0.12 0.00 -1.04 0.00 0.00 56.93 56.34 3hrd s PHE 40 Cb -0.14 0.04 0.71 0.00 -1.21 0.00 0.00 43.02 42.43 3hrd s PHE 40 CO -0.06 -0.14 1.83 0.78 -1.34 0.00 0.00 175.22 176.29 3hrd h GLY 41 N 5.50 0.01 -6.50 1.99 0.00 -0.90 -3.06 103.07 100.11 3hrd h GLY 41 Ca -0.26 -0.01 -0.83 0.00 0.00 0.00 0.00 47.33 46.23 3hrd h GLY 41 CO 0.40 0.01 0.50 0.00 0.00 0.00 0.00 176.54 177.45 3hrd n ALA 42 N -2.47 -1.94 -1.91 3.60 0.00 -1.26 -1.79 120.51 114.73 3hrd n ALA 42 Ca -0.02 0.51 -0.40 0.00 0.00 0.00 0.00 53.44 53.53 3hrd n ALA 42 Cb 0.40 -1.81 -0.06 0.00 0.00 0.00 0.00 19.45 17.98 3hrd n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hrd s ALA 43 N 2.09 3.34 -0.33 0.00 0.00 -1.26 -3.94 121.76 121.66 3hrd s ALA 43 Ca 0.98 0.56 -0.10 0.00 0.00 0.00 0.00 51.96 53.40 3hrd s ALA 43 Cb -1.39 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 18.56 3hrd s ALA 43 CO 0.73 0.17 0.17 0.34 0.00 0.00 0.00 175.76 177.16 3hrd s ASP 44 N -0.90 5.58 -0.23 0.00 -1.08 -1.26 -4.83 116.67 113.96 3hrd s ASP 44 Ca 0.41 -0.72 0.14 0.00 -0.52 0.00 0.00 52.55 51.86 3hrd s ASP 44 Cb -0.25 -2.00 0.58 0.00 -1.46 0.00 0.00 42.92 39.80 3hrd s ASP 44 CO 0.30 -0.27 1.52 2.30 0.52 0.00 0.00 175.17 179.55 3hrd n ILE 45 N 4.98 2.49 0.00 4.11 -5.35 -1.26 -4.89 119.36 119.43 3hrd n ILE 45 Ca -0.13 -1.97 0.00 0.00 -0.27 0.00 0.00 62.75 60.37 3hrd n ILE 45 Cb 0.48 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.09 3hrd n ILE 45 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hrd n GLY 46 N -0.50 1.42 0.20 3.28 0.00 -1.26 -4.97 105.19 103.35 3hrd n GLY 46 Ca 0.28 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.34 3hrd n GLY 46 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3hrd h GLN 47 N 0.00 0.00 0.00 1.61 -0.00 -1.96 -3.47 115.11 111.29 3hrd h GLN 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3hrd h GLN 47 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 3hrd h GLN 47 CO 0.00 0.34 0.00 0.41 -0.00 0.00 0.00 178.83 179.58 3hrd n GLY 48 N -0.30 1.78 0.28 0.06 0.00 -1.26 -4.97 105.19 100.77 3hrd n GLY 48 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 3hrd n GLY 48 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hrd h SER 49 N 0.00 0.63 -0.88 1.61 4.64 -1.92 -0.38 113.55 117.26 3hrd h SER 49 Ca 0.00 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 3hrd h SER 49 Cb 0.00 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 61.88 3hrd h SER 49 CO 0.00 0.70 0.49 1.23 -0.87 0.00 0.00 176.83 178.38 3hrd h GLY 50 N 0.92 1.30 1.21 -0.77 0.00 -1.92 0.11 103.07 103.93 3hrd h GLY 50 Ca 0.13 -0.58 -0.21 0.00 0.00 0.00 0.00 47.33 46.66 3hrd h GLY 50 CO 0.01 0.56 -0.73 -0.84 0.00 0.00 0.00 176.54 175.55 3hrd h THR 51 N 1.22 1.28 -0.54 4.70 2.02 -1.89 -2.40 112.91 117.31 3hrd h THR 51 Ca 0.31 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.56 3hrd h THR 51 Cb 0.02 1.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 3hrd h THR 51 CO -0.05 0.61 0.35 0.00 0.37 0.00 0.00 175.52 176.80 3hrd h ALA 52 N 0.61 0.68 -0.47 6.16 0.00 -0.61 -1.29 119.26 124.34 3hrd h ALA 52 Ca -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3hrd h ALA 52 Cb 1.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3hrd h ALA 52 CO 0.15 0.13 0.13 0.52 0.00 0.00 0.00 179.25 180.18 3hrd h MET 53 N 0.73 0.69 -0.36 0.00 2.86 -0.76 -1.29 114.93 116.80 3hrd h MET 53 Ca 0.20 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 3hrd h MET 53 Cb -0.07 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 3hrd h MET 53 CO -0.04 0.62 0.04 0.00 1.06 0.00 0.00 176.91 178.58 3hrd h ALA 54 N 1.47 0.48 -0.49 6.32 0.00 -0.85 0.26 119.26 126.45 3hrd h ALA 54 Ca 0.16 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3hrd h ALA 54 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hrd h ALA 54 CO -0.01 0.21 -0.13 1.96 0.00 0.00 0.00 179.25 181.29 3hrd h GLN 55 N 0.44 0.93 -0.17 0.00 4.20 -0.99 -0.23 115.11 119.30 3hrd h GLN 55 Ca 0.11 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 3hrd h GLN 55 Cb 0.40 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3hrd h GLN 55 CO 0.01 1.00 0.05 0.82 -0.67 0.00 0.00 178.83 180.04 3hrd h ILE 56 N 0.83 1.18 -0.61 2.54 2.04 -1.11 -0.65 117.51 121.73 3hrd h ILE 56 Ca 0.13 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.47 3hrd h ILE 56 Cb 0.67 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 3hrd h ILE 56 CO 0.05 0.18 0.33 0.00 0.00 0.00 0.00 178.15 178.70 3hrd h ALA 57 N 0.87 0.80 -0.48 1.87 0.00 -0.77 0.95 119.26 122.50 3hrd h ALA 57 Ca 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hrd h ALA 57 Cb 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hrd h ALA 57 CO -0.00 -0.01 0.27 0.00 0.00 0.00 0.00 179.25 179.51 3hrd h ALA 58 N 1.33 0.61 0.18 0.00 0.00 -0.79 -0.34 119.26 120.25 3hrd h ALA 58 Ca 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3hrd h ALA 58 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hrd h ALA 58 CO -0.18 0.12 -0.08 1.49 0.00 0.00 0.00 179.25 180.60 3hrd h GLU 59 N 0.64 -0.23 -0.86 0.00 4.57 -0.46 0.40 114.58 118.64 3hrd h GLU 59 Ca 0.17 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.41 3hrd h GLU 59 Cb 0.03 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.61 3hrd h GLU 59 CO -0.03 0.04 0.55 1.49 -1.18 0.00 0.00 179.01 179.87 3hrd h GLU 60 N -0.48 1.00 0.00 1.92 4.57 -0.75 -2.80 114.58 118.03 3hrd h GLU 60 Ca -0.02 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 57.99 3hrd h GLU 60 Cb 0.37 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3hrd h GLU 60 CO 0.04 0.66 -0.91 -0.07 -1.18 0.00 0.00 179.01 177.55 3hrd h LEU 61 N 1.03 0.00 -0.50 1.64 3.38 -1.04 -3.45 115.31 116.36 3hrd h LEU 61 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3hrd h LEU 61 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hrd h LEU 61 CO -0.15 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.40 3hrd n GLY 62 N 1.28 0.73 3.49 0.83 0.00 0.13 -4.39 105.19 107.25 3hrd n GLY 62 Ca -0.03 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 3hrd n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrd s LEU 63 N -0.50 2.66 0.12 0.99 1.43 -0.35 -2.32 118.68 120.71 3hrd s LEU 63 Ca 0.00 -1.00 -0.31 0.00 -1.03 0.00 0.00 54.13 51.78 3hrd s LEU 63 Cb 0.00 -1.15 -0.08 0.00 0.03 0.00 0.00 46.19 44.98 3hrd s LEU 63 CO 0.00 0.02 1.47 -1.81 0.23 0.00 0.00 176.35 176.26 3hrd s ASP 64 N -3.53 6.73 0.39 2.29 1.01 -1.26 -4.53 116.67 117.76 3hrd s ASP 64 Ca 0.30 2.41 0.16 0.00 0.71 0.00 0.00 52.55 56.13 3hrd s ASP 64 Cb -0.05 -2.58 1.02 0.00 1.01 0.00 0.00 42.92 42.32 3hrd s ASP 64 CO 0.16 -0.73 1.80 0.22 0.21 0.00 0.00 175.17 176.83 3hrd h TYR 65 N 7.01 0.70 0.00 4.23 3.20 -1.91 0.28 116.97 130.47 3hrd h TYR 65 Ca -0.42 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3hrd h TYR 65 Cb 1.20 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.27 3hrd h TYR 65 CO 0.67 0.13 0.00 0.93 -1.64 0.00 0.00 178.16 178.25 3hrd h GLU 66 N 0.47 0.00 -0.01 1.82 3.07 -1.96 -2.28 114.58 115.70 3hrd h GLU 66 Ca 0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 3hrd h GLU 66 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 3hrd h GLU 66 CO -0.27 0.00 -0.24 1.63 -1.40 0.00 0.00 179.01 178.73 3hrd n LYS 67 N -2.89 1.20 -3.41 2.33 5.02 0.97 -4.88 118.16 116.50 3hrd n LYS 67 Ca 0.00 -0.81 -0.38 0.00 -2.02 0.00 0.00 58.31 55.10 3hrd n LYS 67 Cb 0.23 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 3hrd n LYS 67 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hrd s ILE 68 N -2.36 5.16 -0.03 -0.18 -1.09 -0.86 -1.99 121.20 119.85 3hrd s ILE 68 Ca 0.26 0.85 0.07 0.00 -2.23 0.00 0.00 60.65 59.60 3hrd s ILE 68 Cb 0.19 -3.75 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 3hrd s ILE 68 CO 0.48 0.41 -0.25 -2.28 -1.23 0.00 0.00 174.94 172.08 3hrd s HIS 69 N 0.09 2.25 0.11 3.97 5.65 -0.30 -4.97 115.29 122.09 3hrd s HIS 69 Ca 0.24 -0.49 0.06 0.00 0.25 0.00 0.00 55.06 55.12 3hrd s HIS 69 Cb -0.15 -1.45 -0.04 0.00 -1.18 0.00 0.00 32.58 29.76 3hrd s HIS 69 CO 0.10 -0.08 -0.16 0.14 -0.65 0.00 0.00 174.74 174.09 3hrd s VAL 70 N -0.46 1.40 -0.01 0.89 -7.23 -1.26 -1.03 120.40 112.69 3hrd s VAL 70 Ca 0.06 -1.60 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 3hrd s VAL 70 Cb -0.11 -1.46 0.00 0.00 0.56 0.00 0.00 36.38 35.38 3hrd s VAL 70 CO 0.00 -0.29 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.56 3hrd s THR 71 N -1.73 0.49 0.23 5.32 2.01 -0.50 -4.96 115.64 116.50 3hrd s THR 71 Ca 0.06 -0.22 -0.08 0.00 0.31 0.00 0.00 61.69 61.76 3hrd s THR 71 Cb -0.07 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 3hrd s THR 71 CO 0.03 0.16 0.34 -1.66 -0.69 0.00 0.00 174.62 172.80 3hrd s TRP 72 N 0.11 0.65 -1.54 4.92 -2.14 -1.25 -2.10 118.94 117.58 3hrd s TRP 72 Ca -0.01 -0.96 -0.15 0.00 2.66 0.00 0.00 56.10 57.64 3hrd s TRP 72 Cb -0.05 -0.09 0.11 0.00 -3.10 0.00 0.00 33.47 30.33 3hrd s TRP 72 CO -0.00 -0.85 0.80 0.41 -2.66 0.00 0.00 176.95 174.65 3hrd n GLY 73 N -0.33 -0.48 2.69 3.67 0.00 -0.74 -4.94 105.19 105.05 3hrd n GLY 73 Ca -0.01 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3hrd n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hrd s ASP 74 N -3.15 3.75 0.47 1.61 -1.08 -1.26 -5.02 116.67 112.00 3hrd s ASP 74 Ca 0.63 -2.09 0.31 0.00 -0.52 0.00 0.00 52.55 50.88 3hrd s ASP 74 Cb -0.33 -0.87 1.41 0.00 -1.46 0.00 0.00 42.92 41.67 3hrd s ASP 74 CO 0.78 -0.34 1.72 0.00 0.52 0.00 0.00 175.17 177.84 3hrd h THR 75 N 5.82 0.32 -0.06 1.71 1.03 -1.93 0.46 112.91 120.26 3hrd h THR 75 Ca -0.06 -0.05 -0.08 0.00 -0.01 0.00 0.00 66.41 66.21 3hrd h THR 75 Cb 0.97 0.17 -0.01 0.00 -1.07 0.00 0.00 68.15 68.21 3hrd h THR 75 CO 0.45 0.03 -0.36 -0.03 -0.01 0.00 0.00 175.52 175.60 3hrd h MET 76 N 0.14 0.11 0.00 0.00 -1.53 -2.01 -3.36 114.93 108.27 3hrd h MET 76 Ca 0.69 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.90 3hrd h MET 76 Cb 2.31 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 33.35 3hrd h MET 76 CO -0.20 0.46 0.00 1.33 0.14 0.00 0.00 176.91 178.64 3hrd n VAL 77 N -4.09 0.00 -4.59 -5.77 0.24 -0.75 -5.04 118.33 98.32 3hrd n VAL 77 Ca -0.02 -0.24 -0.34 0.00 -2.04 0.00 0.00 64.34 61.70 3hrd n VAL 77 Cb 0.42 1.20 -0.11 0.00 -1.47 0.00 0.00 33.84 33.87 3hrd n VAL 77 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3hrd s THR 78 N -0.30 3.76 0.68 3.34 -4.23 0.08 -4.96 115.64 114.01 3hrd s THR 78 Ca 0.00 -0.45 -0.12 0.00 -1.18 0.00 0.00 61.69 59.94 3hrd s THR 78 Cb 0.00 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.29 3hrd s THR 78 CO 0.00 0.59 1.07 -2.16 -0.54 0.00 0.00 174.62 173.58 3hrd s PRO 79 N -0.69 2.88 0.07 3.99 0.04 -1.26 -4.50 135.00 135.53 3hrd s PRO 79 Ca 0.10 1.10 -0.33 0.00 0.04 0.00 0.00 61.00 61.92 3hrd s PRO 79 Cb -0.11 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 3hrd s PRO 79 CO 0.02 -1.15 1.79 -3.47 0.04 0.00 0.00 177.00 174.22 3hrd n ASP 80 N -2.87 3.62 -0.72 6.66 2.03 -1.26 -0.41 116.55 123.61 3hrd n ASP 80 Ca 0.08 1.01 0.08 0.00 0.52 0.00 0.00 54.79 56.48 3hrd n ASP 80 Cb 0.53 -1.46 0.22 0.00 -0.72 0.00 0.00 41.12 39.69 3hrd n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hrd n GLY 81 N 4.07 3.98 0.95 0.27 0.00 -1.26 -0.83 105.19 112.37 3hrd n GLY 81 Ca 0.19 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.39 3hrd n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrd n GLY 82 N -0.52 -1.80 3.80 -0.02 0.00 -1.24 -4.41 105.19 100.99 3hrd n GLY 82 Ca 0.19 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 3hrd n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd s ALA 83 N -1.97 3.12 -1.11 4.61 0.00 -1.26 -4.65 121.76 120.50 3hrd s ALA 83 Ca 0.00 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.25 3hrd s ALA 83 Cb 0.00 -3.17 0.10 0.00 0.00 0.00 0.00 23.12 20.05 3hrd s ALA 83 CO 0.00 0.13 1.44 0.99 0.00 0.00 0.00 175.76 178.32 3hrd s THR 84 N -1.87 4.43 0.32 0.00 2.01 -1.26 -4.80 115.64 114.47 3hrd s THR 84 Ca 0.56 -1.70 -0.19 0.00 0.31 0.00 0.00 61.69 60.67 3hrd s THR 84 Cb -0.14 -4.99 0.03 0.00 0.01 0.00 0.00 72.50 67.41 3hrd s THR 84 CO 0.19 -1.78 0.74 -0.94 -0.69 0.00 0.00 174.62 172.14 3hrd s SER 85 N 3.95 -0.15 -1.43 3.53 1.04 -1.26 -4.96 113.70 114.42 3hrd s SER 85 Ca 0.44 -0.82 -0.06 0.00 0.48 0.00 0.00 55.95 55.99 3hrd s SER 85 Cb -0.01 0.77 0.03 0.00 0.10 0.00 0.00 66.02 66.91 3hrd s SER 85 CO -0.03 -1.48 0.48 0.00 0.98 0.00 0.00 173.24 173.19 3hrd n ALA 86 N -0.49 -0.97 -4.16 5.32 0.00 -1.26 -2.45 120.51 116.51 3hrd n ALA 86 Ca -0.06 0.19 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 3hrd n ALA 86 Cb 0.59 -3.20 -0.08 0.00 0.00 0.00 0.00 19.45 16.77 3hrd n ALA 86 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hrd n SER 87 N -2.35 -0.67 -0.08 0.00 7.64 -1.26 -2.34 113.62 114.56 3hrd n SER 87 Ca -0.09 -1.11 -0.09 0.00 1.01 0.00 0.00 58.87 58.59 3hrd n SER 87 Cb 0.60 -1.41 -0.16 0.00 -1.01 0.00 0.00 64.21 62.23 3hrd n SER 87 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3hrd n ARG 88 N -3.84 0.68 -0.21 1.43 1.85 -1.02 -4.05 116.66 111.50 3hrd n ARG 88 Ca -0.05 0.04 -0.03 0.00 -1.00 0.00 0.00 57.85 56.82 3hrd n ARG 88 Cb 0.48 -1.57 0.04 0.00 -1.05 0.00 0.00 32.46 30.36 3hrd n ARG 88 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 3hrd h GLN 89 N 0.00 -0.08 -0.95 2.89 1.08 -1.87 0.19 115.11 116.37 3hrd h GLN 89 Ca -0.49 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 56.76 3hrd h GLN 89 Cb 2.18 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 29.57 3hrd h GLN 89 CO 0.04 -0.05 0.62 1.15 -0.95 0.00 0.00 178.83 179.64 3hrd h THR 90 N -0.09 1.14 0.20 -0.54 2.02 -1.96 0.09 112.91 113.78 3hrd h THR 90 Ca 0.28 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3hrd h THR 90 Cb 0.52 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3hrd h THR 90 CO -0.68 0.21 -0.10 0.25 0.37 0.00 0.00 175.52 175.58 3hrd h LEU 91 N 1.17 -0.23 0.03 2.58 5.85 -1.36 -2.65 115.31 120.71 3hrd h LEU 91 Ca 0.39 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.11 3hrd h LEU 91 Cb 0.05 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3hrd h LEU 91 CO -0.13 -0.05 -0.01 0.40 -0.34 0.00 0.00 178.44 178.31 3hrd h ILE 92 N -0.48 1.26 0.00 4.05 2.04 -0.71 -1.80 117.51 121.87 3hrd h ILE 92 Ca -0.03 -0.93 -0.12 0.00 1.00 0.00 0.00 64.86 64.78 3hrd h ILE 92 Cb 0.21 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3hrd h ILE 92 CO 0.04 0.24 -0.58 0.74 0.00 0.00 0.00 178.15 178.59 3hrd h THR 93 N -0.45 1.14 -0.70 -0.27 2.02 -1.18 -2.45 112.91 111.02 3hrd h THR 93 Ca -0.00 -2.21 -0.02 0.00 0.77 0.00 0.00 66.41 64.95 3hrd h THR 93 Cb 0.42 2.30 -0.03 0.00 -1.74 0.00 0.00 68.15 69.09 3hrd h THR 93 CO 0.01 0.57 0.37 1.23 0.37 0.00 0.00 175.52 178.06 3hrd h GLY 94 N 2.64 1.06 1.49 2.16 0.00 -0.99 -1.21 103.07 108.21 3hrd h GLY 94 Ca -0.01 -0.50 -0.18 0.00 0.00 0.00 0.00 47.33 46.65 3hrd h GLY 94 CO 0.08 0.48 -0.65 3.43 0.00 0.00 0.00 176.54 179.87 3hrd h ASN 95 N 0.97 0.59 -0.64 0.19 2.35 -1.25 -2.55 115.58 115.23 3hrd h ASN 95 Ca 0.24 -0.35 0.06 0.00 -0.55 0.00 0.00 56.30 55.70 3hrd h ASN 95 Cb 0.07 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.21 3hrd h ASN 95 CO -0.04 1.09 0.35 0.00 -1.65 0.00 0.00 177.43 177.18 3hrd h ALA 96 N 0.91 0.86 -0.12 -0.83 0.00 -1.01 -0.05 119.26 119.01 3hrd h ALA 96 Ca -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hrd h ALA 96 Cb 1.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3hrd h ALA 96 CO 0.12 0.03 0.06 0.28 0.00 0.00 0.00 179.25 179.74 3hrd h VAL 97 N 0.66 1.11 -0.59 0.00 2.07 -1.09 -0.46 116.25 117.95 3hrd h VAL 97 Ca 0.29 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.53 3hrd h VAL 97 Cb 0.18 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3hrd h VAL 97 CO -0.18 0.10 0.35 0.40 0.02 0.00 0.00 177.57 178.26 3hrd h ILE 98 N 0.08 1.04 -0.37 4.57 2.04 -1.00 0.97 117.51 124.84 3hrd h ILE 98 Ca 0.04 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 3hrd h ILE 98 Cb 0.10 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3hrd h ILE 98 CO -0.01 0.12 -0.02 -0.07 0.00 0.00 0.00 178.15 178.18 3hrd h LEU 99 N 0.68 0.56 -0.64 1.44 3.38 -0.82 0.54 115.31 120.46 3hrd h LEU 99 Ca 0.25 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 3hrd h LEU 99 Cb 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3hrd h LEU 99 CO -0.12 0.65 -0.40 0.00 0.09 0.00 0.00 178.44 178.66 3hrd h ALA 100 N 1.42 0.81 -0.29 1.53 0.00 -0.30 -2.61 119.26 119.82 3hrd h ALA 100 Ca 0.12 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 3hrd h ALA 100 Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hrd h ALA 100 CO 0.02 0.65 -0.12 0.00 0.00 0.00 0.00 179.25 179.80 3hrd h ARG 102 N 0.35 0.80 -0.65 0.00 3.08 -0.84 0.29 114.38 117.41 3hrd h ARG 102 Ca 0.07 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3hrd h ARG 102 Cb 0.62 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 3hrd h ARG 102 CO 0.04 0.53 0.40 0.37 -1.07 0.00 0.00 179.97 180.24 3hrd h GLN 103 N 0.83 0.88 -0.61 0.04 4.15 -1.45 -1.18 115.11 117.78 3hrd h GLN 103 Ca 0.24 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 3hrd h GLN 103 Cb -0.05 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.43 3hrd h GLN 103 CO -0.07 0.63 0.30 0.00 -1.93 0.00 0.00 178.83 177.75 3hrd h ALA 104 N 1.21 1.38 0.00 3.38 0.00 -0.92 -1.62 119.26 122.69 3hrd h ALA 104 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hrd h ALA 104 Cb -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3hrd h ALA 104 CO -0.05 0.49 0.00 0.87 0.00 0.00 0.00 179.25 180.56 3hrd h LYS 105 N 0.85 0.00 -1.00 0.00 1.57 0.70 -3.21 116.57 115.48 3hrd h LYS 105 Ca 0.21 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.06 3hrd h LYS 105 Cb 0.08 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 3hrd h LYS 105 CO -0.03 0.00 0.65 0.93 -0.57 0.00 0.00 179.45 180.43 3hrd h GLU 106 N 0.00 1.11 0.00 3.15 5.08 -0.42 0.59 114.58 124.10 3hrd h GLU 106 Ca 0.00 -0.07 -0.23 0.00 -1.00 0.00 0.00 59.36 58.06 3hrd h GLU 106 Cb 0.41 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3hrd h GLU 106 CO 0.00 0.74 -1.24 1.79 -1.00 0.00 0.00 179.01 179.30 3hrd h THR 107 N 1.15 1.32 -0.25 1.13 1.35 -1.73 -1.97 112.91 113.91 3hrd h THR 107 Ca 0.44 -3.06 -0.07 0.00 -0.55 0.00 0.00 66.41 63.17 3hrd h THR 107 Cb 0.21 2.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.27 3hrd h THR 107 CO -0.18 0.75 -0.14 -0.07 -0.25 0.00 0.00 175.52 175.64 3hrd h LEU 108 N 0.00 0.55 -0.22 3.87 3.38 -1.49 0.26 115.31 121.66 3hrd h LEU 108 Ca -0.11 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 3hrd h LEU 108 Cb 1.83 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 3hrd h LEU 108 CO 0.11 0.85 -0.02 0.00 0.09 0.00 0.00 178.44 179.47 3hrd h ALA 109 N 0.72 0.30 -0.59 1.53 0.00 0.09 0.11 119.26 121.43 3hrd h ALA 109 Ca 0.05 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3hrd h ALA 109 Cb 0.65 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3hrd h ALA 109 CO 0.04 0.05 0.36 -0.22 0.00 0.00 0.00 179.25 179.48 3hrd h LYS 110 N 0.16 0.70 -0.26 0.00 3.64 -1.34 0.57 116.57 120.03 3hrd h LYS 110 Ca 0.06 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3hrd h LYS 110 Cb 0.44 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3hrd h LYS 110 CO 0.02 0.47 0.07 1.15 -2.27 0.00 0.00 179.45 178.88 3hrd h THR 111 N 0.73 1.21 -0.12 1.00 2.02 -0.80 -2.42 112.91 114.53 3hrd h THR 111 Ca 0.23 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 3hrd h THR 111 Cb -0.00 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3hrd h THR 111 CO -0.09 0.23 0.02 0.00 0.37 0.00 0.00 175.52 176.04 3hrd h ALA 112 N 0.89 0.16 -0.33 6.16 0.00 -0.43 -2.92 119.26 122.79 3hrd h ALA 112 Ca 0.08 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hrd h ALA 112 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3hrd h ALA 112 CO 0.00 -0.18 0.30 0.00 0.00 0.00 0.00 179.25 179.37 3hrd h ALA 113 N 0.79 2.09 0.00 0.00 0.00 0.18 -2.08 119.26 120.24 3hrd h ALA 113 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hrd h ALA 113 Cb 0.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hrd h ALA 113 CO 0.00 -0.47 0.00 0.39 0.00 0.00 0.00 179.25 179.17 3hrd n GLU 114 N -3.98 0.34 -2.74 0.00 1.02 -0.92 -1.43 120.64 112.93 3hrd n GLU 114 Ca 0.05 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.14 3hrd n GLU 114 Cb 0.47 -1.31 0.04 0.00 -0.02 0.00 0.00 31.44 30.62 3hrd n GLU 114 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hrd n LYS 115 N 0.76 1.51 -2.06 3.49 5.02 -0.78 -5.03 118.16 121.07 3hrd n LYS 115 Ca 0.00 -3.42 -0.00 0.00 -2.02 0.00 0.00 58.31 52.87 3hrd n LYS 115 Cb 0.16 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3hrd n LYS 115 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hrd n LEU 116 N -0.36 -4.75 0.00 -0.35 4.77 -0.51 -5.07 117.00 110.73 3hrd n LEU 116 Ca 0.09 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 3hrd n LEU 116 Cb 0.81 -2.08 0.00 0.00 -2.33 0.00 0.00 43.42 39.82 3hrd n LEU 116 CO 0.17 -1.43 0.00 -0.90 -1.33 0.00 0.00 177.39 173.90 3hrd n ASP 117 N 0.24 0.00 0.00 -1.43 5.68 -1.17 -5.02 116.55 114.85 3hrd n ASP 117 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 3hrd n ASP 117 Cb 0.02 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 3hrd n ASP 117 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hrd h ALA 119 N 2.00 0.43 -1.98 0.00 0.00 -1.99 -3.39 119.26 114.33 3hrd h ALA 119 Ca 0.00 0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.50 3hrd h ALA 119 Cb 0.00 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3hrd h ALA 119 CO 0.00 -0.41 0.97 -1.25 0.00 0.00 0.00 179.25 178.56 3hrd s PRO 120 N -6.18 3.94 0.00 0.00 0.04 -1.26 -4.65 135.00 126.89 3hrd s PRO 120 Ca -0.14 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.21 3hrd s PRO 120 Cb 0.16 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.83 3hrd s PRO 120 CO 0.72 -1.09 0.00 -1.91 0.04 0.00 0.00 177.00 174.77 3hrd n GLU 121 N 7.26 0.00 -2.02 4.56 2.13 -1.26 -4.17 120.64 127.13 3hrd n GLU 121 Ca 0.15 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.95 3hrd n GLU 121 Cb 0.46 -0.02 0.00 0.00 0.27 0.00 0.00 31.44 32.16 3hrd n GLU 121 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3hrd n GLU 122 N -2.26 -1.19 -2.13 5.31 4.71 -1.26 -2.35 120.64 121.47 3hrd n GLU 122 Ca 0.00 1.29 -0.42 0.00 -0.01 0.00 0.00 57.16 58.02 3hrd n GLU 122 Cb 0.00 -3.00 0.00 0.00 -1.01 0.00 0.00 31.44 27.43 3hrd n GLU 122 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3hrd n LEU 123 N -0.08 6.69 0.00 -4.62 4.77 -1.26 -2.49 117.00 120.01 3hrd n LEU 123 Ca 0.03 -4.45 -0.09 0.00 -0.03 0.00 0.00 56.01 51.46 3hrd n LEU 123 Cb 0.10 -1.55 -0.02 0.00 -2.33 0.00 0.00 43.42 39.62 3hrd n LEU 123 CO 0.19 1.26 0.11 -1.20 -1.33 0.00 0.00 177.39 176.42 3hrd n SER 124 N 4.74 -0.83 -1.54 -1.43 7.64 -1.25 -3.64 113.62 117.31 3hrd n SER 124 Ca 0.44 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 58.19 3hrd n SER 124 Cb 0.37 1.55 0.00 0.00 -1.01 0.00 0.00 64.21 65.12 3hrd n SER 124 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3hrd n PHE 125 N -0.35 -3.72 -0.17 1.43 3.01 -1.26 -4.26 117.46 112.15 3hrd n PHE 125 Ca 0.00 2.00 0.00 0.00 1.01 0.00 0.00 57.45 60.47 3hrd n PHE 125 Cb 0.35 -3.08 0.00 0.00 -0.01 0.00 0.00 39.48 36.74 3hrd n PHE 125 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3hrd n ARG 126 N -2.12 0.00 -2.16 -1.08 3.00 -1.26 -2.61 116.66 110.43 3hrd n ARG 126 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3hrd n ARG 126 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.77 3hrd n ARG 126 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3hrd n ASP 127 N 0.28 0.00 -3.65 0.55 9.92 -0.98 -4.90 116.55 117.78 3hrd n ASP 127 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 3hrd n ASP 127 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 3hrd n ASP 127 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3hrd s ASN 128 N -1.77 -0.24 -0.57 -2.24 2.20 -1.07 -2.84 114.94 108.41 3hrd s ASN 128 Ca 0.00 0.43 -0.22 0.00 -0.94 0.00 0.00 52.86 52.13 3hrd s ASN 128 Cb 0.00 0.71 0.06 0.00 -2.00 0.00 0.00 41.25 40.01 3hrd s ASN 128 CO 0.00 -0.07 0.86 0.28 -2.94 0.00 0.00 177.10 175.22 3hrd s THR 129 N 0.55 4.51 0.00 0.54 -1.32 0.48 -3.92 115.64 116.47 3hrd s THR 129 Ca -0.00 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 3hrd s THR 129 Cb -0.04 -4.51 0.00 0.00 -1.51 0.00 0.00 72.50 66.43 3hrd s THR 129 CO -0.12 -1.13 0.00 1.33 -2.21 0.00 0.00 174.62 172.49 3hrd n VAL 130 N 5.95 0.00 -4.48 5.08 0.24 -1.04 -2.31 118.33 121.77 3hrd n VAL 130 Ca -0.02 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.03 3hrd n VAL 130 Cb 0.46 -1.24 -0.13 0.00 -1.47 0.00 0.00 33.84 31.46 3hrd n VAL 130 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3hrd s PHE 131 N 0.28 1.82 0.07 6.34 5.36 -0.99 -4.39 117.98 126.48 3hrd s PHE 131 Ca 0.00 -0.39 -0.13 0.00 -0.96 0.00 0.00 56.93 55.45 3hrd s PHE 131 Cb 0.00 -1.05 -0.03 0.00 -0.34 0.00 0.00 43.02 41.61 3hrd s PHE 131 CO 0.00 0.15 0.69 1.51 -1.46 0.00 0.00 175.22 176.11 3hrd n ILE 132 N 1.49 -0.28 0.00 3.12 0.13 -1.19 -2.57 119.36 120.06 3hrd n ILE 132 Ca -0.18 1.08 0.00 0.00 -1.10 0.00 0.00 62.75 62.55 3hrd n ILE 132 Cb 0.53 -1.35 0.00 0.00 -0.84 0.00 0.00 39.64 37.99 3hrd n ILE 132 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3hrd n THR 133 N -4.34 0.00 0.00 9.51 -2.24 -1.26 -4.97 114.28 110.99 3hrd n THR 133 Ca 0.01 0.43 0.00 0.00 -2.27 0.00 0.00 64.05 62.22 3hrd n THR 133 Cb 0.11 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 3hrd n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hrd n ALA 134 N -1.15 0.00 -2.81 6.98 0.00 -1.06 -5.04 120.51 117.43 3hrd n ALA 134 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hrd n ALA 134 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 3hrd n ALA 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hrd n ASP 135 N -0.60 1.34 0.00 0.00 9.92 -1.26 -3.57 116.55 122.37 3hrd n ASP 135 Ca 0.00 -2.03 0.06 0.00 -0.53 0.00 0.00 54.79 52.29 3hrd n ASP 135 Cb 0.00 -0.39 0.33 0.00 -0.64 0.00 0.00 41.12 40.42 3hrd n ASP 135 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 3hrd n PRO 136 N -0.61 0.24 -3.24 -0.24 -0.04 -1.26 -3.72 135.00 126.13 3hrd n PRO 136 Ca 0.05 0.13 0.02 0.00 -0.04 0.00 0.00 63.50 63.65 3hrd n PRO 136 Cb 0.82 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.76 3hrd n PRO 136 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3hrd s GLU 137 N -2.43 0.54 0.75 0.54 2.02 -1.26 -5.16 118.70 113.69 3hrd s GLU 137 Ca 0.14 0.99 -0.17 0.00 0.02 0.00 0.00 54.97 55.95 3hrd s GLU 137 Cb 0.09 0.45 -0.13 0.00 0.10 0.00 0.00 34.13 34.63 3hrd s GLU 137 CO 0.18 -0.57 -0.88 2.89 0.02 0.00 0.00 175.26 176.90 3hrd n ARG 138 N 5.42 0.00 0.00 1.61 1.85 -1.24 -4.80 116.66 119.50 3hrd n ARG 138 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 3hrd n ARG 138 Cb 0.51 -0.75 0.00 0.00 -1.05 0.00 0.00 32.46 31.17 3hrd n ARG 138 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3hrd n SER 139 N 2.62 0.00 -3.63 2.89 3.41 -1.26 -4.81 113.62 112.84 3hrd n SER 139 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.48 3hrd n SER 139 Cb 0.49 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 3hrd n SER 139 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3hrd s MET 140 N 0.72 0.65 0.37 4.33 1.75 -0.98 -4.99 119.30 121.16 3hrd s MET 140 Ca 0.00 0.80 -0.10 0.00 -1.25 0.00 0.00 55.69 55.14 3hrd s MET 140 Cb 0.00 0.31 -0.06 0.00 2.84 0.00 0.00 34.83 37.92 3hrd s MET 140 CO 0.00 -0.08 0.71 0.95 -0.65 0.00 0.00 175.02 175.95 3hrd s THR 141 N 0.37 4.83 0.42 10.11 -4.23 -1.26 -0.39 115.64 125.50 3hrd s THR 141 Ca 0.01 0.52 0.09 0.00 -1.18 0.00 0.00 61.69 61.13 3hrd s THR 141 Cb -0.05 -3.72 0.28 0.00 1.34 0.00 0.00 72.50 70.35 3hrd s THR 141 CO -0.04 -0.44 2.06 1.88 -0.54 0.00 0.00 174.62 177.54 3hrd h TYR 142 N 1.47 0.46 -0.72 3.99 0.05 -1.87 0.88 116.97 121.24 3hrd h TYR 142 Ca -0.47 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.26 3hrd h TYR 142 Cb 1.19 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.74 3hrd h TYR 142 CO 0.60 0.28 0.23 0.78 -1.05 0.00 0.00 178.16 179.00 3hrd h GLY 143 N 0.49 1.19 1.81 3.88 0.00 -1.93 0.24 103.07 108.74 3hrd h GLY 143 Ca 0.16 -0.69 -0.19 0.00 0.00 0.00 0.00 47.33 46.61 3hrd h GLY 143 CO -0.04 0.64 -0.86 0.83 0.00 0.00 0.00 176.54 177.12 3hrd h GLU 144 N 1.06 0.17 -0.28 4.80 5.08 -1.64 -2.96 114.58 120.82 3hrd h GLU 144 Ca 0.23 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3hrd h GLU 144 Cb 0.29 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3hrd h GLU 144 CO -0.01 0.93 -0.09 1.25 -1.00 0.00 0.00 179.01 180.08 3hrd h LEU 145 N 0.10 0.57 -1.41 1.33 5.85 -0.35 -2.23 115.31 119.17 3hrd h LEU 145 Ca -0.04 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.24 3hrd h LEU 145 Cb 1.48 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 3hrd h LEU 145 CO 0.13 0.82 -0.30 0.24 -0.34 0.00 0.00 178.44 178.99 3hrd h MET 146 N 0.31 0.00 -0.03 1.25 2.86 -0.59 0.16 114.93 118.89 3hrd h MET 146 Ca 0.07 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.53 3hrd h MET 146 Cb 0.59 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 3hrd h MET 146 CO 0.03 0.30 -0.75 0.00 1.06 0.00 0.00 176.91 177.55 3hrd h ALA 147 N 1.70 0.68 0.00 6.32 0.00 -1.39 -1.92 119.26 124.65 3hrd h ALA 147 Ca -0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 54.91 54.10 3hrd h ALA 147 Cb 0.56 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3hrd h ALA 147 CO 0.04 0.82 -0.83 0.00 0.00 0.00 0.00 179.25 179.28 3hrd h ALA 148 N 1.07 0.53 -0.25 0.00 0.00 -0.75 -1.64 119.26 118.23 3hrd h ALA 148 Ca -0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 54.91 54.08 3hrd h ALA 148 Cb 1.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3hrd h ALA 148 CO 0.11 1.04 -0.02 1.98 0.00 0.00 0.00 179.25 182.37 3hrd h MET 149 N 0.00 0.45 -0.21 0.00 4.05 -0.58 -1.40 114.93 117.24 3hrd h MET 149 Ca -0.01 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.24 3hrd h MET 149 Cb 1.56 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.31 3hrd h MET 149 CO 0.11 0.64 0.08 -0.22 0.23 0.00 0.00 176.91 177.74 3hrd h LYS 150 N 0.21 0.32 -0.01 0.39 3.64 -1.33 -0.70 116.57 119.08 3hrd h LYS 150 Ca 0.07 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3hrd h LYS 150 Cb 0.45 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3hrd h LYS 150 CO 0.02 0.40 -0.04 0.00 -2.27 0.00 0.00 179.45 177.56 3hrd h ALA 151 N 0.91 1.92 -0.02 5.00 0.00 -1.24 -1.56 119.26 124.27 3hrd h ALA 151 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hrd h ALA 151 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hrd h ALA 151 CO -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 179.25 179.27 3hrd n ALA 152 N -2.53 2.64 -2.37 0.00 0.00 -0.53 -4.95 120.51 112.76 3hrd n ALA 152 Ca -0.03 -0.46 -0.13 0.00 0.00 0.00 0.00 53.44 52.82 3hrd n ALA 152 Cb 0.13 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3hrd n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrd n GLY 153 N 1.21 -0.14 3.60 0.00 0.00 -0.59 -5.02 105.19 104.25 3hrd n GLY 153 Ca 0.18 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 3hrd n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hrd s ARG 154 N -4.81 2.22 0.14 1.61 0.52 -0.35 -5.03 118.95 113.25 3hrd s ARG 154 Ca 0.05 -0.98 0.09 0.00 -0.52 0.00 0.00 55.73 54.38 3hrd s ARG 154 Cb -0.02 -2.35 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 3hrd s ARG 154 CO 0.06 0.52 -0.22 -1.64 0.02 0.00 0.00 175.30 174.04 3hrd s MET 155 N -2.19 1.30 -0.70 3.54 -1.94 -1.26 -4.41 119.30 113.63 3hrd s MET 155 Ca 0.22 -1.34 -0.06 0.00 -1.71 0.00 0.00 55.69 52.79 3hrd s MET 155 Cb -0.11 -1.55 0.18 0.00 2.01 0.00 0.00 34.83 35.36 3hrd s MET 155 CO 0.14 0.34 0.55 0.00 -0.01 0.00 0.00 175.02 176.05 3hrd s ALA 156 N -1.52 3.76 0.09 3.03 0.00 -1.26 -4.82 121.76 121.04 3hrd s ALA 156 Ca 0.13 -3.31 0.08 0.00 0.00 0.00 0.00 51.96 48.86 3hrd s ALA 156 Cb -0.08 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 3hrd s ALA 156 CO 0.06 -2.17 -0.20 0.14 0.00 0.00 0.00 175.76 173.60 3hrd s VAL 157 N -0.06 1.63 0.08 0.00 -7.23 -1.26 -1.76 120.40 111.80 3hrd s VAL 157 Ca 0.18 -1.48 -0.11 0.00 -1.81 0.00 0.00 61.98 58.76 3hrd s VAL 157 Cb -0.17 -1.49 0.01 0.00 0.56 0.00 0.00 36.38 35.30 3hrd s VAL 157 CO -0.05 -0.05 0.26 -0.83 -0.31 0.00 0.00 175.10 174.12 3hrd s GLY 158 N -1.81 -0.04 0.01 2.32 0.00 -0.44 -3.60 107.32 103.76 3hrd s GLY 158 Ca 0.05 -0.30 0.02 0.00 0.00 0.00 0.00 44.72 44.49 3hrd s GLY 158 CO 0.04 -0.51 -0.07 0.00 0.00 0.00 0.00 173.10 172.56 3hrd s ALA 159 N -3.33 0.55 -0.06 3.20 0.00 -1.26 -1.34 121.76 119.52 3hrd s ALA 159 Ca 0.01 -0.46 -0.26 0.00 0.00 0.00 0.00 51.96 51.24 3hrd s ALA 159 Cb 0.02 -0.07 0.06 0.00 0.00 0.00 0.00 23.12 23.13 3hrd s ALA 159 CO -0.08 0.08 0.59 0.20 0.00 0.00 0.00 175.76 176.54 3hrd s GLY 160 N -0.69 -0.47 0.02 0.00 0.00 -0.09 -4.28 107.32 101.81 3hrd s GLY 160 Ca -0.02 1.13 -0.04 0.00 0.00 0.00 0.00 44.72 45.79 3hrd s GLY 160 CO 0.00 0.82 0.07 -1.35 0.00 0.00 0.00 173.10 172.64 3hrd s SER 161 N -1.08 0.17 0.03 1.64 1.04 -1.26 0.00 113.70 114.24 3hrd s SER 161 Ca -0.11 -0.47 -0.06 0.00 0.48 0.00 0.00 55.95 55.80 3hrd s SER 161 Cb -0.02 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 3hrd s SER 161 CO 0.08 -0.43 0.11 -0.47 0.98 0.00 0.00 173.24 173.51 3hrd s TYR 162 N -2.08 0.16 -0.14 5.02 5.04 -0.70 -4.80 117.35 119.85 3hrd s TYR 162 Ca -0.10 -0.41 -0.05 0.00 -2.44 0.00 0.00 57.07 54.07 3hrd s TYR 162 Cb -0.04 -0.11 0.06 0.00 0.35 0.00 0.00 41.96 42.22 3hrd s TYR 162 CO -0.02 -0.36 0.29 1.21 -1.34 0.00 0.00 175.55 175.33 3hrd s ASN 163 N -1.98 0.10 0.22 4.32 2.47 -1.26 -2.08 114.94 116.73 3hrd s ASN 163 Ca -0.07 0.66 -0.30 0.00 0.42 0.00 0.00 52.86 53.57 3hrd s ASN 163 Cb -0.02 0.75 -0.15 0.00 -1.45 0.00 0.00 41.25 40.37 3hrd s ASN 163 CO -0.03 -0.22 0.96 -2.65 -3.72 0.00 0.00 177.10 171.44 3hrd n PRO 164 N 5.10 0.98 -2.65 0.43 -0.02 -1.26 -4.84 135.00 132.74 3hrd n PRO 164 Ca -0.11 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 3hrd n PRO 164 Cb 0.51 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 3hrd n PRO 164 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3hrd s ASN 165 N -0.45 6.25 0.22 2.55 3.84 -1.26 -4.89 114.94 121.20 3hrd s ASN 165 Ca 0.65 -0.85 0.02 0.00 0.21 0.00 0.00 52.86 52.89 3hrd s ASN 165 Cb -0.81 -2.52 -0.01 0.00 -0.55 0.00 0.00 41.25 37.36 3hrd s ASN 165 CO 0.57 -1.64 0.07 0.35 -2.79 0.00 0.00 177.10 173.66 3hrd n THR 166 N 6.30 0.00 -4.24 -5.21 -2.24 -1.26 -4.28 114.28 103.35 3hrd n THR 166 Ca 0.08 -1.24 -0.13 0.00 -2.27 0.00 0.00 64.05 60.48 3hrd n THR 166 Cb 0.48 0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 69.04 3hrd n THR 166 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hrd s THR 167 N -2.30 0.63 0.58 4.28 2.01 0.15 -4.94 115.64 116.06 3hrd s THR 167 Ca 0.10 -1.98 -0.09 0.00 0.31 0.00 0.00 61.69 60.03 3hrd s THR 167 Cb 0.00 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 3hrd s THR 167 CO 0.07 -0.44 0.96 -0.83 -0.69 0.00 0.00 174.62 173.68 3hrd s GLY 168 N -3.17 1.60 -0.14 4.40 0.00 -1.26 -4.36 107.32 104.38 3hrd s GLY 168 Ca 0.25 -0.27 -0.06 0.00 0.00 0.00 0.00 44.72 44.64 3hrd s GLY 168 CO 0.05 -0.03 0.07 1.08 0.00 0.00 0.00 173.10 174.27 3hrd s LEU 169 N -5.05 3.91 0.08 0.66 1.43 -1.26 -4.44 118.68 114.01 3hrd s LEU 169 Ca 0.53 0.21 -0.31 0.00 -1.03 0.00 0.00 54.13 53.53 3hrd s LEU 169 Cb -0.11 -1.95 -0.07 0.00 0.03 0.00 0.00 46.19 44.08 3hrd s LEU 169 CO 0.51 0.30 1.45 0.00 0.23 0.00 0.00 176.35 178.83 3hrd s ALA 170 N -0.36 3.62 -0.67 4.21 0.00 -0.46 -4.81 121.76 123.29 3hrd s ALA 170 Ca 0.09 1.08 0.13 0.00 0.00 0.00 0.00 51.96 53.26 3hrd s ALA 170 Cb -0.12 -3.59 0.63 0.00 0.00 0.00 0.00 23.12 20.04 3hrd s ALA 170 CO 0.02 -0.80 1.40 -0.35 0.00 0.00 0.00 175.76 176.03 3hrd n PRO 171 N 4.65 0.07 0.14 0.00 -0.04 -1.26 0.65 135.00 139.21 3hrd n PRO 171 Ca 0.13 0.49 -0.06 0.00 -0.04 0.00 0.00 63.50 64.02 3hrd n PRO 171 Cb 0.42 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 3hrd n PRO 171 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3hrd h GLU 172 N 0.00 -0.39 0.00 0.54 5.08 -1.99 -3.41 114.58 114.42 3hrd h GLU 172 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hrd h GLU 172 Cb 0.10 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hrd h GLU 172 CO 0.00 -0.26 0.00 0.27 -1.00 0.00 0.00 179.01 178.02 3hrd n ASN 173 N -3.97 1.36 -2.74 1.42 0.23 -1.18 -5.02 115.26 105.36 3hrd n ASN 173 Ca -0.05 -1.50 -0.15 0.00 -0.53 0.00 0.00 54.58 52.34 3hrd n ASN 173 Cb 0.16 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 37.92 3hrd n ASN 173 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3hrd n MET 174 N -0.25 -5.40 -3.46 -3.83 2.81 0.21 -4.98 117.12 102.22 3hrd n MET 174 Ca 0.00 0.60 -0.27 0.00 -1.81 0.00 0.00 57.70 56.22 3hrd n MET 174 Cb 0.18 -4.93 -0.03 0.00 -0.71 0.00 0.00 33.22 27.73 3hrd n MET 174 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3hrd s SER 175 N -3.50 6.38 0.00 7.83 1.04 -1.24 -4.72 113.70 119.49 3hrd s SER 175 Ca 0.27 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.24 3hrd s SER 175 Cb -0.12 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 63.93 3hrd s SER 175 CO 0.53 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.18 3hrd n GLY 176 N -1.11 0.69 2.93 7.32 0.00 -1.26 -1.36 105.19 112.39 3hrd n GLY 176 Ca -0.04 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 3hrd n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hrd s ILE 177 N -2.78 2.81 0.40 -0.61 -1.09 -1.26 -4.97 121.20 113.70 3hrd s ILE 177 Ca 0.00 -3.87 0.10 0.00 -2.23 0.00 0.00 60.65 54.66 3hrd s ILE 177 Cb 0.00 -2.88 0.17 0.00 -1.58 0.00 0.00 42.46 38.17 3hrd s ILE 177 CO 0.00 -0.92 1.95 1.55 -1.23 0.00 0.00 174.94 176.29 3hrd h PRO 178 N 5.88 0.21 -3.61 2.79 0.13 -1.92 0.44 132.00 135.91 3hrd h PRO 178 Ca 0.05 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 65.03 3hrd h PRO 178 Cb 0.81 -0.03 -0.17 0.00 0.13 0.00 0.00 31.00 31.74 3hrd h PRO 178 CO 0.71 0.32 -0.41 -0.06 -0.23 0.00 0.00 178.00 178.33 3hrd s PHE 179 N -4.78 0.08 -1.40 1.56 0.08 -1.26 -1.40 117.98 110.86 3hrd s PHE 179 Ca -0.05 -0.33 0.24 0.00 0.12 0.00 0.00 56.93 56.91 3hrd s PHE 179 Cb 0.16 -0.05 0.28 0.00 -0.57 0.00 0.00 43.02 42.83 3hrd s PHE 179 CO 0.72 -0.42 1.26 -0.85 -0.10 0.00 0.00 175.22 175.83 3hrd n GLU 180 N 0.67 0.46 -3.62 0.44 0.28 -1.26 -4.92 120.64 112.68 3hrd n GLU 180 Ca -0.19 -0.33 -0.13 0.00 -0.16 0.00 0.00 57.16 56.36 3hrd n GLU 180 Cb 0.59 -1.49 -0.07 0.00 1.43 0.00 0.00 31.44 31.90 3hrd n GLU 180 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3hrd s VAL 181 N -2.77 0.00 0.10 3.84 0.11 -1.26 -4.82 120.40 115.60 3hrd s VAL 181 Ca 0.15 0.00 0.10 0.00 -2.93 0.00 0.00 61.98 59.30 3hrd s VAL 181 Cb 0.18 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 3hrd s VAL 181 CO 0.67 0.00 -0.23 -0.31 -3.33 0.00 0.00 175.10 171.90 3hrd s TYR 182 N 0.17 2.41 0.06 1.54 2.02 -1.26 -2.05 117.35 120.23 3hrd s TYR 182 Ca 0.00 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.39 3hrd s TYR 182 Cb -0.04 -1.32 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 3hrd s TYR 182 CO -0.01 0.31 0.05 -1.12 -1.57 0.00 0.00 175.55 173.21 3hrd s SER 183 N -1.89 5.36 0.28 2.29 0.01 0.52 -4.89 113.70 115.39 3hrd s SER 183 Ca 0.15 -0.02 0.07 0.00 1.31 0.00 0.00 55.95 57.45 3hrd s SER 183 Cb -0.10 -1.41 -0.06 0.00 0.21 0.00 0.00 66.02 64.66 3hrd s SER 183 CO 0.07 0.21 -0.07 -0.31 0.41 0.00 0.00 173.24 173.54 3hrd s TYR 184 N -1.29 1.97 -0.23 2.43 1.51 -1.25 -0.13 117.35 120.35 3hrd s TYR 184 Ca 0.26 -0.67 -0.28 0.00 -1.01 0.00 0.00 57.07 55.36 3hrd s TYR 184 Cb -0.12 -1.10 0.15 0.00 -0.11 0.00 0.00 41.96 40.78 3hrd s TYR 184 CO 0.18 0.31 1.16 0.00 -1.11 0.00 0.00 175.55 176.09 3hrd s ALA 185 N -2.98 -2.03 -0.05 3.71 0.00 -0.45 -0.32 121.76 119.64 3hrd s ALA 185 Ca 0.29 1.73 0.01 0.00 0.00 0.00 0.00 51.96 53.99 3hrd s ALA 185 Cb 0.03 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 21.98 3hrd s ALA 185 CO 0.12 -0.25 -0.05 0.99 0.00 0.00 0.00 175.76 176.57 3hrd s THR 186 N -0.75 0.56 -0.03 0.00 2.01 -0.32 -0.01 115.64 117.10 3hrd s THR 186 Ca 0.03 -0.12 0.06 0.00 0.31 0.00 0.00 61.69 61.97 3hrd s THR 186 Cb -0.02 -0.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 3hrd s THR 186 CO -0.04 0.24 -0.20 0.42 -0.69 0.00 0.00 174.62 174.34 3hrd s THR 187 N 1.02 1.65 -0.17 -0.82 -4.23 -0.09 -1.22 115.64 111.77 3hrd s THR 187 Ca -0.09 -0.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.56 3hrd s THR 187 Cb -0.14 -1.39 0.03 0.00 1.34 0.00 0.00 72.50 72.34 3hrd s THR 187 CO -0.00 0.47 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.77 3hrd s ILE 188 N -0.22 1.74 0.07 2.99 1.01 -0.01 -1.06 121.20 125.71 3hrd s ILE 188 Ca 0.01 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.86 3hrd s ILE 188 Cb -0.11 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 3hrd s ILE 188 CO 0.01 0.38 -0.07 0.00 0.00 0.00 0.00 174.94 175.26 3hrd s ALA 189 N 1.40 3.05 -0.17 9.38 0.00 -0.61 -1.45 121.76 133.36 3hrd s ALA 189 Ca 0.03 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3hrd s ALA 189 Cb -0.14 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.95 3hrd s ALA 189 CO -0.10 0.65 -0.16 -2.00 0.00 0.00 0.00 175.76 174.15 3hrd s GLU 190 N -1.99 3.15 0.20 0.00 2.12 -0.26 -0.42 118.70 121.49 3hrd s GLU 190 Ca 0.21 -0.77 0.09 0.00 0.36 0.00 0.00 54.97 54.87 3hrd s GLU 190 Cb -0.11 -2.64 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 3hrd s GLU 190 CO 0.13 -0.07 -0.18 0.14 -0.54 0.00 0.00 175.26 174.74 3hrd s VAL 191 N 1.02 1.96 -0.14 3.70 -7.23 0.19 -0.95 120.40 118.95 3hrd s VAL 191 Ca -0.02 -2.08 -0.00 0.00 -1.81 0.00 0.00 61.98 58.07 3hrd s VAL 191 Cb -0.15 -2.00 0.03 0.00 0.56 0.00 0.00 36.38 34.83 3hrd s VAL 191 CO -0.04 -0.38 -0.07 -0.70 -0.31 0.00 0.00 175.10 173.60 3hrd s GLU 192 N -3.11 1.55 -0.04 4.82 2.12 -0.14 0.65 118.70 124.55 3hrd s GLU 192 Ca 0.20 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.14 3hrd s GLU 192 Cb -0.05 -1.82 -0.03 0.00 0.26 0.00 0.00 34.13 32.49 3hrd s GLU 192 CO 0.08 -0.34 -0.02 0.08 -0.54 0.00 0.00 175.26 174.53 3hrd s VAL 193 N 1.66 4.08 -0.65 3.70 1.01 -0.86 -1.20 120.40 128.13 3hrd s VAL 193 Ca 0.03 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 3hrd s VAL 193 Cb -0.14 -2.75 0.17 0.00 0.00 0.00 0.00 36.38 33.66 3hrd s VAL 193 CO -0.08 0.51 0.58 -0.62 0.00 0.00 0.00 175.10 175.48 3hrd s ASP 194 N -1.15 6.25 0.44 3.32 -1.08 -0.51 -0.56 116.67 123.37 3hrd s ASP 194 Ca 0.16 -2.29 0.15 0.00 -0.52 0.00 0.00 52.55 50.05 3hrd s ASP 194 Cb -0.11 -2.14 0.83 0.00 -1.46 0.00 0.00 42.92 40.04 3hrd s ASP 194 CO 0.05 -0.67 1.39 0.71 0.52 0.00 0.00 175.17 177.17 3hrd h THR 195 N 5.42 0.00 0.00 1.71 1.35 -1.86 0.70 112.91 120.23 3hrd h THR 195 Ca -0.09 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.66 3hrd h THR 195 Cb 1.06 0.34 -0.02 0.00 -1.73 0.00 0.00 68.15 67.80 3hrd h THR 195 CO 0.86 0.00 -1.11 -0.62 -0.25 0.00 0.00 175.52 174.40 3hrd n GLU 196 N -2.27 0.52 0.08 4.72 1.02 -1.26 -4.54 120.64 118.91 3hrd n GLU 196 Ca -0.01 0.39 -0.05 0.00 -0.02 0.00 0.00 57.16 57.47 3hrd n GLU 196 Cb 0.42 -1.59 -0.05 0.00 -0.02 0.00 0.00 31.44 30.21 3hrd n GLU 196 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3hrd h THR 197 N -1.00 1.55 0.00 2.62 1.35 -1.91 -3.46 112.91 112.06 3hrd h THR 197 Ca -0.17 -3.04 0.00 0.00 -0.55 0.00 0.00 66.41 62.65 3hrd h THR 197 Cb 0.97 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 70.06 3hrd h THR 197 CO -0.10 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 3hrd n GLY 198 N 1.15 0.73 3.70 5.82 0.00 0.24 -4.79 105.19 112.03 3hrd n GLY 198 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3hrd n GLY 198 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hrd n GLU 199 N -2.09 1.54 -4.47 1.61 1.02 -1.24 -4.31 120.64 112.70 3hrd n GLU 199 Ca 0.00 0.56 -0.24 0.00 -0.02 0.00 0.00 57.16 57.46 3hrd n GLU 199 Cb 0.00 -2.41 -0.17 0.00 -0.02 0.00 0.00 31.44 28.85 3hrd n GLU 199 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hrd s VAL 200 N -1.32 1.07 -0.22 2.62 1.01 -1.26 -1.42 120.40 120.88 3hrd s VAL 200 Ca 0.70 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.27 3hrd s VAL 200 Cb -0.45 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 34.98 3hrd s VAL 200 CO 0.51 0.34 -0.15 -1.81 0.00 0.00 0.00 175.10 174.00 3hrd s ASP 201 N 0.80 3.82 -0.52 3.32 1.11 -0.34 -4.98 116.67 119.88 3hrd s ASP 201 Ca -0.12 -0.99 -0.28 0.00 0.18 0.00 0.00 52.55 51.34 3hrd s ASP 201 Cb -0.15 -1.53 0.03 0.00 1.07 0.00 0.00 42.92 42.34 3hrd s ASP 201 CO 0.02 -0.09 1.11 -0.69 1.18 0.00 0.00 175.17 176.70 3hrd s VAL 202 N 1.22 4.19 -0.14 -1.27 1.01 -1.26 -0.97 120.40 123.18 3hrd s VAL 202 Ca -0.01 0.97 -0.21 0.00 0.00 0.00 0.00 61.98 62.72 3hrd s VAL 202 Cb -0.16 -4.62 -0.19 0.00 0.00 0.00 0.00 36.38 31.40 3hrd s VAL 202 CO -0.09 -1.12 0.53 -0.07 0.00 0.00 0.00 175.10 174.35 3hrd h LEU 203 N 11.37 0.00 -7.82 3.92 3.38 -1.40 -3.35 115.31 121.41 3hrd h LEU 203 Ca -0.24 -0.71 -0.14 0.00 0.09 0.00 0.00 57.88 56.88 3hrd h LEU 203 Cb 1.06 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.62 3hrd h LEU 203 CO 1.13 0.92 -0.52 -0.54 0.09 0.00 0.00 178.44 179.53 3hrd s LYS 204 N -2.08 0.51 -0.06 1.13 1.02 -1.18 -1.81 119.74 117.26 3hrd s LYS 204 Ca -0.15 -0.55 -0.04 0.00 0.02 0.00 0.00 55.97 55.24 3hrd s LYS 204 Cb -0.01 0.21 0.03 0.00 -0.52 0.00 0.00 37.83 37.53 3hrd s LYS 204 CO 0.51 -0.12 0.16 0.08 -0.92 0.00 0.00 175.35 175.06 3hrd s VAL 205 N -1.87 -0.02 -0.16 3.17 1.01 0.12 -1.10 120.40 121.55 3hrd s VAL 205 Ca -0.11 0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3hrd s VAL 205 Cb -0.05 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.10 3hrd s VAL 205 CO -0.01 0.03 -0.19 -0.69 0.00 0.00 0.00 175.10 174.24 3hrd s VAL 206 N 0.59 1.96 -0.15 2.92 1.01 -0.53 -0.04 120.40 126.17 3hrd s VAL 206 Ca -0.04 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3hrd s VAL 206 Cb -0.06 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.58 3hrd s VAL 206 CO -0.03 0.53 -0.15 -0.44 0.00 0.00 0.00 175.10 175.00 3hrd s SER 207 N 1.16 2.72 -0.13 3.32 0.01 0.39 -0.83 113.70 120.34 3hrd s SER 207 Ca 0.01 -0.50 -0.02 0.00 1.31 0.00 0.00 55.95 56.75 3hrd s SER 207 Cb -0.14 -1.21 -0.03 0.00 0.21 0.00 0.00 66.02 64.86 3hrd s SER 207 CO -0.09 -0.03 -0.07 0.00 0.41 0.00 0.00 173.24 173.46 3hrd s ALA 208 N 1.35 2.92 -0.02 1.44 0.00 -0.36 0.20 121.76 127.29 3hrd s ALA 208 Ca 0.03 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.15 3hrd s ALA 208 Cb -0.13 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.59 3hrd s ALA 208 CO -0.09 0.32 -0.07 -1.01 0.00 0.00 0.00 175.76 174.91 3hrd s HIS 209 N 0.06 0.71 -0.66 0.00 3.76 -0.10 -1.18 115.29 117.87 3hrd s HIS 209 Ca -0.01 -0.16 -0.23 0.00 -0.15 0.00 0.00 55.06 54.51 3hrd s HIS 209 Cb -0.14 -0.51 0.06 0.00 1.11 0.00 0.00 32.58 33.10 3hrd s HIS 209 CO 0.03 -0.07 1.00 0.34 -0.85 0.00 0.00 174.74 175.19 3hrd s ASP 210 N 0.18 6.18 0.00 1.40 2.15 0.56 0.07 116.67 127.21 3hrd s ASP 210 Ca -0.02 -0.91 0.19 0.00 0.43 0.00 0.00 52.55 52.24 3hrd s ASP 210 Cb -0.07 -2.43 0.55 0.00 -0.30 0.00 0.00 42.92 40.66 3hrd s ASP 210 CO -0.00 -1.48 1.46 1.33 -0.17 0.00 0.00 175.17 176.31 3hrd n VAL 211 N 5.98 0.99 0.00 1.11 0.24 -0.50 -3.97 118.33 122.18 3hrd n VAL 211 Ca -0.03 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 3hrd n VAL 211 Cb 0.46 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 3hrd n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hrd n GLY 212 N 1.33 1.00 3.65 7.63 0.00 -1.23 -1.91 105.19 115.66 3hrd n GLY 212 Ca 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 3hrd n GLY 212 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hrd s THR 213 N 0.00 0.00 0.05 2.61 -1.32 -1.26 -0.79 115.64 114.93 3hrd s THR 213 Ca 0.00 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.21 3hrd s THR 213 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 3hrd s THR 213 CO 0.00 0.00 0.85 -2.16 -2.21 0.00 0.00 174.62 171.10 3hrd s PRO 214 N 0.75 4.57 0.10 7.08 0.04 -1.26 -4.44 135.00 141.84 3hrd s PRO 214 Ca -0.03 1.23 -0.09 0.00 0.04 0.00 0.00 61.00 62.14 3hrd s PRO 214 Cb -0.03 -3.39 -0.16 0.00 0.04 0.00 0.00 34.50 30.96 3hrd s PRO 214 CO -0.12 0.19 1.25 0.82 0.04 0.00 0.00 177.00 179.19 3hrd h ILE 215 N 4.26 1.33 -1.92 0.56 1.08 -1.96 -3.42 117.51 117.43 3hrd h ILE 215 Ca -0.43 -2.31 -0.23 0.00 -0.39 0.00 0.00 64.86 61.51 3hrd h ILE 215 Cb 1.21 2.36 -0.31 0.00 -3.07 0.00 0.00 36.82 37.01 3hrd h ILE 215 CO 0.72 0.70 -0.56 0.21 -0.69 0.00 0.00 178.15 178.54 3hrd s ASN 216 N -7.18 0.77 0.17 1.72 3.84 -1.26 -4.99 114.94 108.01 3hrd s ASN 216 Ca -0.08 -0.33 -0.19 0.00 0.21 0.00 0.00 52.86 52.47 3hrd s ASN 216 Cb 0.08 0.90 0.10 0.00 -0.55 0.00 0.00 41.25 41.78 3hrd s ASN 216 CO 0.90 -0.35 1.63 0.03 -2.79 0.00 0.00 177.10 176.52 3hrd h ARG 217 N 8.20 -0.13 -0.85 0.43 3.08 -2.00 -0.39 114.38 122.72 3hrd h ARG 217 Ca -0.13 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.02 3hrd h ARG 217 Cb 1.12 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.14 3hrd h ARG 217 CO 0.29 -0.09 0.55 1.03 -1.07 0.00 0.00 179.97 180.68 3hrd h SER 218 N -0.14 0.76 0.44 7.04 0.87 -1.99 0.93 113.55 121.46 3hrd h SER 218 Ca 0.20 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.66 3hrd h SER 218 Cb 0.45 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3hrd h SER 218 CO -0.50 0.46 -0.52 0.24 -0.53 0.00 0.00 176.83 175.98 3hrd h MET 219 N 0.85 0.09 -0.09 2.24 2.86 -1.52 -2.32 114.93 117.04 3hrd h MET 219 Ca 0.39 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.85 3hrd h MET 219 Cb 0.38 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.05 3hrd h MET 219 CO -0.16 0.59 -0.42 0.28 1.06 0.00 0.00 176.91 178.27 3hrd h VAL 220 N 0.07 1.39 -1.00 -2.22 2.07 0.27 -2.74 116.25 114.08 3hrd h VAL 220 Ca -0.00 -1.77 0.05 0.00 0.82 0.00 0.00 66.70 65.80 3hrd h VAL 220 Cb 0.94 2.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.88 3hrd h VAL 220 CO 0.07 0.52 0.65 -0.33 0.02 0.00 0.00 177.57 178.51 3hrd h GLU 221 N 0.01 1.19 -0.79 1.57 5.08 -0.87 -1.22 114.58 119.55 3hrd h GLU 221 Ca -0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3hrd h GLU 221 Cb 1.06 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 3hrd h GLU 221 CO 0.09 0.79 0.41 0.78 -1.00 0.00 0.00 179.01 180.07 3hrd h GLY 222 N 1.22 1.19 1.46 -3.84 0.00 -1.37 0.12 103.07 101.85 3hrd h GLY 222 Ca 0.41 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 3hrd h GLY 222 CO -0.15 0.53 -0.27 1.46 0.00 0.00 0.00 176.54 178.11 3hrd h GLN 223 N 1.11 0.62 -0.15 4.80 1.08 -0.96 -1.57 115.11 120.04 3hrd h GLN 223 Ca 0.28 -0.26 -0.11 0.00 -1.45 0.00 0.00 58.65 57.11 3hrd h GLN 223 Cb 0.06 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3hrd h GLN 223 CO -0.04 0.83 -0.33 0.82 -0.95 0.00 0.00 178.83 179.16 3hrd h ILE 224 N 0.54 1.36 0.00 2.54 2.04 -0.74 -0.26 117.51 122.98 3hrd h ILE 224 Ca 0.07 -1.59 -0.04 0.00 1.00 0.00 0.00 64.86 64.31 3hrd h ILE 224 Cb 0.75 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 3hrd h ILE 224 CO 0.06 0.48 -0.17 -0.33 0.00 0.00 0.00 178.15 178.19 3hrd h GLU 225 N 0.11 0.00 0.19 2.37 5.08 -0.72 -0.42 114.58 121.20 3hrd h GLU 225 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 3hrd h GLU 225 Cb 0.93 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.20 3hrd h GLU 225 CO 0.07 0.17 -1.34 0.78 -1.00 0.00 0.00 179.01 177.69 3hrd h GLY 226 N 0.98 0.46 0.90 -3.84 0.00 -1.17 -3.07 103.07 97.33 3hrd h GLY 226 Ca -0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 47.33 46.14 3hrd h GLY 226 CO 0.02 1.03 -0.21 -1.33 0.00 0.00 0.00 176.54 176.06 3hrd h GLY 227 N 0.09 -0.54 0.06 4.60 0.00 -0.58 0.14 103.07 106.84 3hrd h GLY 227 Ca -0.25 0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.37 3hrd h GLY 227 CO 0.19 -0.21 -0.32 -2.08 0.00 0.00 0.00 176.54 174.12 3hrd h VAL 228 N -0.52 0.27 -0.93 4.60 2.07 -0.93 0.33 116.25 121.13 3hrd h VAL 228 Ca -0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.54 3hrd h VAL 228 Cb 0.43 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 3hrd h VAL 228 CO 0.03 0.00 0.61 0.74 0.02 0.00 0.00 177.57 178.97 3hrd h THR 229 N -0.35 1.09 0.00 2.57 2.02 -1.41 0.18 112.91 117.02 3hrd h THR 229 Ca 0.12 -0.38 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 3hrd h THR 229 Cb 0.54 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3hrd h THR 229 CO -0.41 0.20 -0.39 -0.03 0.37 0.00 0.00 175.52 175.26 3hrd h MET 230 N 1.10 0.00 -0.04 6.66 -1.53 0.41 -2.66 114.93 118.88 3hrd h MET 230 Ca 0.39 0.00 -0.17 0.00 -3.44 0.00 0.00 59.70 56.48 3hrd h MET 230 Cb 0.14 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.18 3hrd h MET 230 CO -0.14 0.39 -0.74 0.78 0.14 0.00 0.00 176.91 177.34 3hrd h GLY 231 N 1.90 0.26 0.94 1.39 0.00 0.23 -1.17 103.07 106.62 3hrd h GLY 231 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3hrd h GLY 231 CO 0.05 0.34 -0.24 -1.61 0.00 0.00 0.00 176.54 175.09 3hrd h GLN 232 N 0.16 -0.63 -0.77 4.80 4.15 -0.49 -2.64 115.11 119.69 3hrd h GLN 232 Ca -0.03 0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.47 3hrd h GLN 232 Cb 1.30 0.14 -0.04 0.00 0.21 0.00 0.00 27.48 29.09 3hrd h GLN 232 CO 0.11 -0.39 0.51 0.78 -1.93 0.00 0.00 178.83 177.91 3hrd h GLY 233 N -0.72 1.07 -0.02 2.39 0.00 -1.48 -0.68 103.07 103.63 3hrd h GLY 233 Ca -0.07 -0.37 0.12 0.00 0.00 0.00 0.00 47.33 47.02 3hrd h GLY 233 CO 0.11 0.32 -0.00 -2.75 0.00 0.00 0.00 176.54 174.22 3hrd h PHE 234 N 0.93 -0.05 0.08 5.60 3.57 -0.86 1.63 116.94 127.85 3hrd h PHE 234 Ca 0.31 0.04 -0.29 0.00 3.53 0.00 0.00 57.97 61.56 3hrd h PHE 234 Cb 0.06 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3hrd h PHE 234 CO -0.00 -0.16 -1.58 0.28 -2.23 0.00 0.00 178.31 174.62 3hrd h VAL 235 N 0.11 0.83 0.00 1.41 2.07 -1.19 -3.39 116.25 116.09 3hrd h VAL 235 Ca 0.31 -2.30 -0.19 0.00 0.82 0.00 0.00 66.70 65.34 3hrd h VAL 235 Cb 0.49 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 3hrd h VAL 235 CO -0.51 0.64 -1.77 0.18 0.02 0.00 0.00 177.57 176.14 3hrd n LEU 236 N -3.93 0.50 0.00 2.57 4.77 -0.30 -1.24 117.00 119.36 3hrd n LEU 236 Ca -0.30 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3hrd n LEU 236 Cb 0.88 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 3hrd n LEU 236 CO 0.34 0.21 -0.40 0.23 -1.33 0.00 0.00 177.39 176.45 3hrd n MET 237 N -2.75 2.99 -2.89 3.23 2.81 -0.50 -4.78 117.12 115.23 3hrd n MET 237 Ca -0.15 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.33 3hrd n MET 237 Cb 0.88 -0.90 -0.04 0.00 -0.71 0.00 0.00 33.22 32.45 3hrd n MET 237 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3hrd s GLU 238 N -1.79 4.48 -0.30 0.03 2.02 0.54 -4.23 118.70 119.46 3hrd s GLU 238 Ca 0.00 1.13 -0.17 0.00 0.02 0.00 0.00 54.97 55.95 3hrd s GLU 238 Cb 0.00 -3.46 0.18 0.00 0.10 0.00 0.00 34.13 30.95 3hrd s GLU 238 CO 0.00 -0.01 1.15 -2.00 0.02 0.00 0.00 175.26 174.42 3hrd s GLU 239 N 0.98 0.16 -0.04 1.61 2.12 -1.26 -4.78 118.70 117.50 3hrd s GLU 239 Ca 0.44 0.33 -0.15 0.00 0.36 0.00 0.00 54.97 55.95 3hrd s GLU 239 Cb -0.19 0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.26 3hrd s GLU 239 CO 0.22 -0.04 0.40 0.42 -0.54 0.00 0.00 175.26 175.72 3hrd s ILE 240 N 1.60 5.09 -0.11 -3.70 -1.09 -1.26 -4.92 121.20 116.81 3hrd s ILE 240 Ca -0.05 0.81 0.01 0.00 -2.23 0.00 0.00 60.65 59.19 3hrd s ILE 240 Cb -0.03 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.12 3hrd s ILE 240 CO -0.14 0.52 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.34 3hrd s GLU 241 N -0.65 3.15 -0.17 2.79 2.02 -1.26 -5.04 118.70 119.53 3hrd s GLU 241 Ca 0.23 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.51 3hrd s GLU 241 Cb -0.16 -2.55 -0.01 0.00 0.10 0.00 0.00 34.13 31.51 3hrd s GLU 241 CO 0.12 0.32 -0.10 0.08 0.02 0.00 0.00 175.26 175.69 3hrd s VAL 242 N 0.08 3.10 -0.77 2.63 1.01 -1.26 0.24 120.40 125.42 3hrd s VAL 242 Ca -0.06 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 3hrd s VAL 242 Cb -0.15 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 3hrd s VAL 242 CO 0.05 0.49 1.79 0.21 0.00 0.00 0.00 175.10 177.63 3hrd s ASN 243 N 0.88 5.43 0.00 3.32 3.84 0.46 -4.81 114.94 124.06 3hrd s ASN 243 Ca -0.03 -0.30 0.00 0.00 0.21 0.00 0.00 52.86 52.74 3hrd s ASN 243 Cb -0.15 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 3hrd s ASN 243 CO 0.00 -2.38 0.14 0.35 -2.79 0.00 0.00 177.10 172.43 3hrd n THR 244 N 7.34 0.08 -0.07 -5.21 -2.24 -1.26 0.41 114.28 113.34 3hrd n THR 244 Ca 0.27 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.92 3hrd n THR 244 Cb 0.50 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 3hrd n THR 244 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3hrd n LYS 245 N 0.61 0.38 -0.02 -0.78 4.81 -1.26 -4.69 118.16 117.21 3hrd n LYS 245 Ca 0.00 0.16 0.06 0.00 -0.87 0.00 0.00 58.31 57.66 3hrd n LYS 245 Cb 0.07 -1.14 0.06 0.00 0.02 0.00 0.00 35.03 34.04 3hrd n LYS 245 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3hrd n ASN 246 N -3.99 2.12 -1.71 3.14 0.23 -0.97 -4.99 115.26 109.09 3hrd n ASN 246 Ca -0.23 -1.56 -0.16 0.00 -0.53 0.00 0.00 54.58 52.10 3hrd n ASN 246 Cb 0.55 -0.02 -0.02 0.00 -2.08 0.00 0.00 39.78 38.22 3hrd n ASN 246 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hrd n GLY 247 N 0.70 0.05 3.92 4.83 0.00 0.17 -5.00 105.19 109.85 3hrd n GLY 247 Ca 0.08 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 3hrd n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd s ALA 248 N -2.76 3.90 0.10 4.61 0.00 -1.21 -4.83 121.76 121.58 3hrd s ALA 248 Ca 0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 3hrd s ALA 248 Cb 0.00 -1.93 -0.06 0.00 0.00 0.00 0.00 23.12 21.14 3hrd s ALA 248 CO 0.00 0.60 1.03 0.42 0.00 0.00 0.00 175.76 177.82 3hrd s ILE 249 N -1.71 4.34 0.01 0.00 1.01 -1.26 -0.40 121.20 123.19 3hrd s ILE 249 Ca 0.37 1.87 -0.18 0.00 0.00 0.00 0.00 60.65 62.71 3hrd s ILE 249 Cb -0.12 -4.19 -0.29 0.00 0.01 0.00 0.00 42.46 37.86 3hrd s ILE 249 CO 0.28 0.25 1.03 0.11 0.00 0.00 0.00 174.94 176.61 3hrd h LYS 250 N 5.85 0.48 -2.33 2.79 1.57 -0.58 -3.40 116.57 120.95 3hrd h LYS 250 Ca -0.43 -0.68 -0.65 0.00 -1.87 0.00 0.00 60.65 57.02 3hrd h LYS 250 Cb 1.21 0.23 -0.38 0.00 0.08 0.00 0.00 32.23 33.37 3hrd h LYS 250 CO 0.74 1.29 -0.20 0.27 -0.57 0.00 0.00 179.45 180.98 3hrd n ASN 251 N -3.97 4.89 0.13 0.86 6.94 -1.26 -4.84 115.26 118.01 3hrd n ASN 251 Ca -0.13 -3.56 0.13 0.00 -0.02 0.00 0.00 54.58 50.99 3hrd n ASN 251 Cb 0.89 -0.78 0.44 0.00 -2.36 0.00 0.00 39.78 37.97 3hrd n ASN 251 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 3hrd h PRO 252 N 3.92 0.00 -7.55 -0.53 0.13 -1.94 -3.34 132.00 122.70 3hrd h PRO 252 Ca 0.22 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.89 3hrd h PRO 252 Cb 0.55 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.80 3hrd h PRO 252 CO 0.95 0.00 0.33 -1.54 -0.23 0.00 0.00 178.00 177.51 3hrd s SER 253 N -4.58 4.05 0.33 1.44 1.04 -1.26 -4.93 113.70 109.79 3hrd s SER 253 Ca 0.08 0.35 0.24 0.00 0.48 0.00 0.00 55.95 57.10 3hrd s SER 253 Cb 0.11 -0.71 0.41 0.00 0.10 0.00 0.00 66.02 65.93 3hrd s SER 253 CO 0.52 -2.13 1.55 0.24 0.98 0.00 0.00 173.24 174.40 3hrd h MET 254 N -1.08 0.00 0.00 4.02 2.86 -1.89 -2.19 114.93 116.64 3hrd h MET 254 Ca -0.44 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.08 3hrd h MET 254 Cb 1.28 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.92 3hrd h MET 254 CO 0.51 0.00 -0.66 0.66 1.06 0.00 0.00 176.91 178.48 3hrd h SER 255 N 0.00 0.00 0.00 1.22 4.64 -1.95 -3.33 113.55 114.13 3hrd h SER 255 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3hrd h SER 255 Cb 0.92 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3hrd h SER 255 CO 0.00 0.55 -1.92 0.29 -0.87 0.00 0.00 176.83 174.88 3hrd n LYS 256 N -3.19 0.61 -3.59 4.77 5.02 -1.23 -4.74 118.16 115.80 3hrd n LYS 256 Ca 0.00 -0.17 -0.40 0.00 -2.02 0.00 0.00 58.31 55.72 3hrd n LYS 256 Cb 0.76 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 34.20 3hrd n LYS 256 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3hrd s TYR 257 N -3.34 3.32 -0.09 2.13 5.04 -0.83 -4.90 117.35 118.68 3hrd s TYR 257 Ca -0.07 -1.44 -0.23 0.00 -2.44 0.00 0.00 57.07 52.89 3hrd s TYR 257 Cb 0.12 -2.90 -0.03 0.00 0.35 0.00 0.00 41.96 39.50 3hrd s TYR 257 CO 0.82 -0.82 0.67 0.42 -1.34 0.00 0.00 175.55 175.30 3hrd s ILE 258 N 1.45 5.05 0.19 3.14 -1.09 -1.26 -4.61 121.20 124.06 3hrd s ILE 258 Ca 0.03 1.37 0.09 0.00 -2.23 0.00 0.00 60.65 59.90 3hrd s ILE 258 Cb -0.23 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 3hrd s ILE 258 CO 0.03 0.23 -0.17 0.27 -1.23 0.00 0.00 174.94 174.07 3hrd s ILE 259 N 0.99 1.84 0.21 2.92 -4.36 -1.26 -3.37 121.20 118.17 3hrd s ILE 259 Ca 0.35 -2.06 -0.32 0.00 -0.26 0.00 0.00 60.65 58.36 3hrd s ILE 259 Cb -0.17 -1.95 -0.14 0.00 1.25 0.00 0.00 42.46 41.44 3hrd s ILE 259 CO 0.16 -0.42 1.29 -2.65 0.24 0.00 0.00 174.94 173.56 3hrd n PRO 260 N -0.02 1.65 -2.80 0.37 -0.02 -1.26 -5.01 135.00 127.90 3hrd n PRO 260 Ca -0.11 0.59 -0.21 0.00 -2.02 0.00 0.00 63.50 61.75 3hrd n PRO 260 Cb 0.58 -2.16 0.07 0.00 -0.02 0.00 0.00 33.50 31.97 3hrd n PRO 260 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hrd s SER 261 N 0.13 4.87 0.48 2.55 0.15 -1.26 -4.98 113.70 115.64 3hrd s SER 261 Ca 0.70 -0.51 0.28 0.00 0.70 0.00 0.00 55.95 57.12 3hrd s SER 261 Cb -0.73 -0.07 0.88 0.00 -1.71 0.00 0.00 66.02 64.39 3hrd s SER 261 CO 0.51 -1.47 1.80 -0.55 1.20 0.00 0.00 173.24 174.73 3hrd h ASN 262 N -0.08 0.00 0.56 5.45 -1.07 -1.97 -2.52 115.58 115.96 3hrd h ASN 262 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.02 3hrd h ASN 262 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 3hrd h ASN 262 CO 0.42 0.06 -0.16 0.54 0.07 0.00 0.00 177.43 178.36 3hrd n ARG 263 N -3.14 0.36 -0.01 4.14 1.74 -1.26 -3.58 116.66 114.90 3hrd n ARG 263 Ca 0.02 -0.12 0.04 0.00 -0.77 0.00 0.00 57.85 57.02 3hrd n ARG 263 Cb 0.42 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.24 3hrd n ARG 263 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hrd n ASP 264 N -1.22 0.25 -4.74 0.55 8.00 -0.96 -4.96 116.55 113.48 3hrd n ASP 264 Ca 0.11 0.10 -0.42 0.00 0.71 0.00 0.00 54.79 55.29 3hrd n ASP 264 Cb 0.31 1.26 -0.02 0.00 -0.02 0.00 0.00 41.12 42.64 3hrd n ASP 264 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hrd s VAL 265 N -3.16 2.27 0.50 2.53 1.01 -1.17 -4.75 120.40 117.64 3hrd s VAL 265 Ca -0.07 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 3hrd s VAL 265 Cb 0.11 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.35 3hrd s VAL 265 CO 0.86 0.03 0.75 -2.16 0.00 0.00 0.00 175.10 174.58 3hrd s PRO 266 N -0.03 2.96 0.10 2.72 0.04 -1.26 -5.01 135.00 134.52 3hrd s PRO 266 Ca 0.65 -0.38 -0.32 0.00 0.04 0.00 0.00 61.00 60.99 3hrd s PRO 266 Cb -0.46 -2.47 -0.11 0.00 0.04 0.00 0.00 34.50 31.50 3hrd s PRO 266 CO 0.42 -0.45 1.82 0.39 0.04 0.00 0.00 177.00 179.23 3hrd n GLU 267 N -2.26 2.66 -4.40 4.56 1.02 -0.75 -4.77 120.64 116.71 3hrd n GLU 267 Ca 0.03 0.97 -0.34 0.00 -0.02 0.00 0.00 57.16 57.80 3hrd n GLU 267 Cb 0.58 -2.85 -0.13 0.00 -0.02 0.00 0.00 31.44 29.02 3hrd n GLU 267 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hrd s ILE 268 N 2.77 3.63 -0.31 -3.67 -1.09 -1.26 0.12 121.20 121.39 3hrd s ILE 268 Ca 0.83 -0.45 0.02 0.00 -2.23 0.00 0.00 60.65 58.83 3hrd s ILE 268 Cb -0.52 -2.59 0.08 0.00 -1.58 0.00 0.00 42.46 37.85 3hrd s ILE 268 CO 0.39 0.48 -0.01 -1.00 -1.23 0.00 0.00 174.94 173.57 3hrd s HIS 269 N 0.57 3.49 0.08 3.97 3.76 0.95 -4.98 115.29 123.12 3hrd s HIS 269 Ca -0.04 -2.55 -0.12 0.00 -0.15 0.00 0.00 55.06 52.19 3hrd s HIS 269 Cb -0.15 -2.43 -0.06 0.00 1.11 0.00 0.00 32.58 31.05 3hrd s HIS 269 CO 0.03 -0.91 0.45 -1.54 -0.85 0.00 0.00 174.74 171.92 3hrd s SER 270 N 1.09 6.74 -0.14 1.40 1.04 -1.26 -0.46 113.70 122.11 3hrd s SER 270 Ca 0.00 0.92 -0.01 0.00 0.48 0.00 0.00 55.95 57.35 3hrd s SER 270 Cb -0.20 -2.23 0.04 0.00 0.10 0.00 0.00 66.02 63.73 3hrd s SER 270 CO -0.06 0.19 -0.03 -0.63 0.98 0.00 0.00 173.24 173.69 3hrd s ILE 271 N -1.34 0.87 -0.52 -1.02 1.01 0.13 -4.92 121.20 115.41 3hrd s ILE 271 Ca 0.32 -0.43 -0.23 0.00 0.00 0.00 0.00 60.65 60.32 3hrd s ILE 271 Cb -0.15 -1.07 0.04 0.00 0.01 0.00 0.00 42.46 41.29 3hrd s ILE 271 CO 0.17 0.14 0.84 -0.76 0.00 0.00 0.00 174.94 175.33 3hrd s LEU 272 N 1.74 4.33 0.01 2.97 1.02 -1.26 -0.93 118.68 126.56 3hrd s LEU 272 Ca 0.02 -0.43 -0.15 0.00 0.02 0.00 0.00 54.13 53.59 3hrd s LEU 272 Cb -0.15 -2.77 -0.06 0.00 0.02 0.00 0.00 46.19 43.24 3hrd s LEU 272 CO -0.07 -1.09 0.42 -0.69 0.02 0.00 0.00 176.35 174.93 3hrd s VAL 273 N 3.52 5.01 0.23 -1.59 1.01 0.11 -4.95 120.40 123.74 3hrd s VAL 273 Ca 0.27 0.86 0.08 0.00 0.00 0.00 0.00 61.98 63.19 3hrd s VAL 273 Cb -0.14 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3hrd s VAL 273 CO 0.18 0.57 0.03 -1.61 0.00 0.00 0.00 175.10 174.28 3hrd s GLU 274 N -1.09 2.44 0.06 2.72 2.02 -1.26 -1.41 118.70 122.18 3hrd s GLU 274 Ca 0.24 -1.24 -0.12 0.00 0.02 0.00 0.00 54.97 53.87 3hrd s GLU 274 Cb -0.17 -2.30 0.01 0.00 0.10 0.00 0.00 34.13 31.77 3hrd s GLU 274 CO 0.14 0.41 0.27 -1.54 0.02 0.00 0.00 175.26 174.55 3hrd s SER 275 N -3.42 -0.05 0.39 -0.19 1.04 0.03 -4.81 113.70 106.69 3hrd s SER 275 Ca 0.30 -0.32 0.08 0.00 0.48 0.00 0.00 55.95 56.49 3hrd s SER 275 Cb -0.08 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 3hrd s SER 275 CO 0.20 -0.64 0.38 -1.61 0.98 0.00 0.00 173.24 172.55 3hrd s GLU 276 N -2.87 2.63 0.00 4.02 0.41 -1.26 -4.58 118.70 117.04 3hrd s GLU 276 Ca -0.03 -1.43 0.00 0.00 -0.41 0.00 0.00 54.97 53.10 3hrd s GLU 276 Cb 0.00 -2.45 0.00 0.00 -1.78 0.00 0.00 34.13 29.90 3hrd s GLU 276 CO -0.05 -0.12 0.00 0.41 -0.49 0.00 0.00 175.26 175.01 3hrd n GLY 277 N -1.54 0.82 7.00 -1.39 0.00 -1.26 -5.00 105.19 103.83 3hrd n GLY 277 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3hrd n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrd n GLY 278 N -0.09 0.81 0.24 -0.02 0.00 -1.26 -4.89 105.19 99.98 3hrd n GLY 278 Ca 0.00 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.49 3hrd n GLY 278 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hrd n PRO 279 N 0.00 0.61 -0.53 1.61 -0.04 -1.26 -4.73 135.00 130.66 3hrd n PRO 279 Ca 0.00 -0.49 -0.15 0.00 -0.04 0.00 0.00 63.50 62.83 3hrd n PRO 279 Cb 0.00 -1.49 0.12 0.00 -0.04 0.00 0.00 33.50 32.09 3hrd n PRO 279 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hrd n GLY 280 N 1.45 -2.53 3.59 0.55 0.00 -1.26 -4.78 105.19 102.21 3hrd n GLY 280 Ca 0.07 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 3hrd n GLY 280 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hrd s PRO 281 N -4.22 2.86 -0.74 1.61 0.04 -1.26 -0.79 135.00 132.50 3hrd s PRO 281 Ca 0.35 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.13 3hrd s PRO 281 Cb -0.03 -4.41 0.00 0.00 0.04 0.00 0.00 34.50 30.10 3hrd s PRO 281 CO 0.26 -2.41 0.00 1.19 0.04 0.00 0.00 177.00 176.08 3hrd n PHE 282 N 12.68 0.00 -0.44 0.56 3.72 -1.26 -2.37 117.46 130.35 3hrd n PHE 282 Ca 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 3hrd n PHE 282 Cb 0.48 -1.83 0.00 0.00 -0.94 0.00 0.00 39.48 37.19 3hrd n PHE 282 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hrd n GLY 283 N -1.02 0.74 3.79 1.37 0.00 0.03 -4.88 105.19 105.22 3hrd n GLY 283 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3hrd n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd s ALA 284 N -2.62 2.98 0.30 4.61 0.00 -1.00 -4.28 121.76 121.75 3hrd s ALA 284 Ca 0.00 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.66 3hrd s ALA 284 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 3hrd s ALA 284 CO 0.00 -0.27 0.20 -1.59 0.00 0.00 0.00 175.76 174.10 3hrd s LYS 285 N -2.87 1.61 0.94 0.00 -2.85 -0.80 -4.05 119.74 111.72 3hrd s LYS 285 Ca 0.63 -1.92 -0.11 0.00 -1.00 0.00 0.00 55.97 53.57 3hrd s LYS 285 Cb -0.19 0.12 0.11 0.00 -2.06 0.00 0.00 37.83 35.81 3hrd s LYS 285 CO 0.24 -0.52 0.87 0.41 0.10 0.00 0.00 175.35 176.44 3hrd n GLY 286 N -0.56 -1.02 0.00 0.59 0.00 -1.26 -4.78 105.19 98.16 3hrd n GLY 286 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3hrd n GLY 286 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3hrd n VAL 287 N -4.05 0.00 -0.00 1.61 3.14 -1.26 -4.74 118.33 113.03 3hrd n VAL 287 Ca 0.10 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.37 3hrd n VAL 287 Cb 0.53 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.26 3hrd n VAL 287 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3hrd h GLY 288 N 0.00 -0.49 1.00 7.55 0.00 -1.92 -1.59 103.07 107.61 3hrd h GLY 288 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 47.33 47.45 3hrd h GLY 288 CO 0.00 -0.22 -1.70 0.83 0.00 0.00 0.00 176.54 175.45 3hrd h GLU 289 N -0.41 0.08 0.00 4.80 5.08 -1.95 -3.34 114.58 118.84 3hrd h GLU 289 Ca 0.09 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hrd h GLU 289 Cb 0.57 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3hrd h GLU 289 CO -0.37 0.73 0.00 -2.30 -1.00 0.00 0.00 179.01 176.07 3hrd n PRO 290 N -3.19 0.02 0.03 2.33 -0.02 -1.17 -1.93 135.00 131.07 3hrd n PRO 290 Ca -0.19 0.44 0.14 0.00 -2.02 0.00 0.00 63.50 61.87 3hrd n PRO 290 Cb 1.04 -1.55 0.53 0.00 -0.02 0.00 0.00 33.50 33.51 3hrd n PRO 290 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hrd n ALA 291 N -1.53 2.37 -0.05 3.55 0.00 -0.61 -3.92 120.51 120.32 3hrd n ALA 291 Ca 0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 3hrd n ALA 291 Cb 0.06 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 17.99 3hrd n ALA 291 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hrd n LEU 292 N -1.76 0.71 0.17 0.00 7.94 -0.81 -2.84 117.00 120.41 3hrd n LEU 292 Ca 0.06 -0.02 -0.15 0.00 -1.11 0.00 0.00 56.01 54.80 3hrd n LEU 292 Cb 0.37 0.07 -0.08 0.00 0.53 0.00 0.00 43.42 44.31 3hrd n LEU 292 CO 0.29 0.34 0.52 0.40 -1.11 0.00 0.00 177.39 177.82 3hrd h ILE 293 N 0.00 0.00 -0.55 1.96 2.04 -1.66 -3.17 117.51 116.12 3hrd h ILE 293 Ca -0.25 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.67 3hrd h ILE 293 Cb 1.53 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3hrd h ILE 293 CO 0.00 0.00 0.37 1.55 0.00 0.00 0.00 178.15 180.07 3hrd h PRO 294 N -0.74 0.48 -0.08 2.37 0.13 -1.86 -2.83 132.00 129.47 3hrd h PRO 294 Ca -0.03 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 3hrd h PRO 294 Cb 0.68 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 3hrd h PRO 294 CO -0.15 0.32 -0.09 1.98 -0.23 0.00 0.00 178.00 179.83 3hrd h MET 295 N 0.49 0.12 0.83 0.86 1.85 -1.82 -3.16 114.93 114.09 3hrd h MET 295 Ca 0.24 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.27 3hrd h MET 295 Cb 0.32 -0.02 0.01 0.00 0.43 0.00 0.00 31.60 32.34 3hrd h MET 295 CO -0.07 0.22 -0.40 0.82 -0.40 0.00 0.00 176.91 177.09 3hrd h ILE 296 N 0.12 0.00 0.00 1.77 2.04 -1.56 -2.28 117.51 117.61 3hrd h ILE 296 Ca 0.03 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3hrd h ILE 296 Cb 0.24 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3hrd h ILE 296 CO 0.01 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.35 3hrd n PRO 297 N -5.18 0.18 0.00 2.37 -0.04 -1.24 -2.36 135.00 128.74 3hrd n PRO 297 Ca -0.14 0.16 -0.20 0.00 -0.04 0.00 0.00 63.50 63.28 3hrd n PRO 297 Cb 0.44 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 3hrd n PRO 297 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hrd h ALA 298 N 2.52 0.06 -0.51 0.55 0.00 -1.44 -2.66 119.26 117.78 3hrd h ALA 298 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 54.91 53.94 3hrd h ALA 298 Cb 0.08 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hrd h ALA 298 CO 0.00 0.52 -0.10 0.28 0.00 0.00 0.00 179.25 179.95 3hrd h VAL 299 N -0.50 1.26 0.24 0.00 2.07 -1.03 0.70 116.25 118.99 3hrd h VAL 299 Ca -0.20 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3hrd h VAL 299 Cb 1.56 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3hrd h VAL 299 CO 0.06 0.43 -0.24 0.58 0.02 0.00 0.00 177.57 178.42 3hrd h VAL 300 N 0.84 0.49 -0.28 2.57 2.07 -1.59 -1.18 116.25 119.16 3hrd h VAL 300 Ca 0.14 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.69 3hrd h VAL 300 Cb 0.63 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3hrd h VAL 300 CO 0.04 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.73 3hrd h ALA 301 N 0.17 0.31 -0.68 1.67 0.00 -1.30 -1.96 119.26 117.47 3hrd h ALA 301 Ca -0.00 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.08 3hrd h ALA 301 Cb 0.47 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 3hrd h ALA 301 CO -0.05 -0.31 0.14 0.00 0.00 0.00 0.00 179.25 179.03 3hrd h ALA 302 N 1.18 0.83 -0.50 0.00 0.00 -0.49 0.10 119.26 120.37 3hrd h ALA 302 Ca 0.12 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3hrd h ALA 302 Cb 0.09 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hrd h ALA 302 CO -0.13 -0.34 -0.03 0.82 0.00 0.00 0.00 179.25 179.58 3hrd h ILE 303 N 0.25 1.25 -0.78 0.00 2.04 -0.77 -1.95 117.51 117.55 3hrd h ILE 303 Ca 0.37 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 3hrd h ILE 303 Cb 0.61 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 3hrd h ILE 303 CO -0.48 0.39 0.48 -0.33 0.00 0.00 0.00 178.15 178.20 3hrd h GLU 304 N 0.80 1.06 -0.17 2.37 5.08 -0.29 -1.70 114.58 121.74 3hrd h GLU 304 Ca 0.15 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3hrd h GLU 304 Cb 0.52 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3hrd h GLU 304 CO 0.03 0.74 -0.03 0.22 -1.00 0.00 0.00 179.01 178.97 3hrd h ASP 305 N 1.07 0.31 -0.32 1.42 3.58 -0.97 0.34 116.42 121.85 3hrd h ASP 305 Ca 0.28 -0.35 -0.04 0.00 0.42 0.00 0.00 57.03 57.34 3hrd h ASP 305 Cb -0.05 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 3hrd h ASP 305 CO -0.05 0.59 0.08 0.00 -2.88 0.00 0.00 179.24 176.98 3hrd h ALA 306 N 0.73 1.40 0.00 -0.78 0.00 -1.18 -3.13 119.26 116.30 3hrd h ALA 306 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hrd h ALA 306 Cb 0.45 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hrd h ALA 306 CO 0.01 0.43 -0.86 1.28 0.00 0.00 0.00 179.25 180.12 3hrd n LEU 307 N -4.31 0.84 -3.03 0.00 4.77 -0.65 -4.73 117.00 109.88 3hrd n LEU 307 Ca 0.02 -0.50 -0.14 0.00 -0.03 0.00 0.00 56.01 55.37 3hrd n LEU 307 Cb 0.20 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.36 3hrd n LEU 307 CO 0.38 0.21 0.06 0.61 -1.33 0.00 0.00 177.39 177.33 3hrd n GLY 308 N 1.42 -0.52 3.58 -0.72 0.00 0.11 -5.02 105.19 104.04 3hrd n GLY 308 Ca 0.03 0.22 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 3hrd n GLY 308 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hrd s THR 309 N -3.32 0.00 0.22 2.61 2.01 -0.93 -5.06 115.64 111.17 3hrd s THR 309 Ca 0.18 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.98 3hrd s THR 309 Cb -0.02 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.41 3hrd s THR 309 CO 0.63 0.00 0.72 -0.13 -0.69 0.00 0.00 174.62 175.14 3hrd s ARG 310 N -0.43 4.25 -0.04 4.92 1.81 -1.26 -4.27 118.95 123.92 3hrd s ARG 310 Ca -0.05 0.86 0.03 0.00 -1.72 0.00 0.00 55.73 54.84 3hrd s ARG 310 Cb -0.02 -2.90 0.01 0.00 -0.45 0.00 0.00 34.95 31.59 3hrd s ARG 310 CO 0.05 0.41 -0.11 -0.06 -0.68 0.00 0.00 175.30 174.91 3hrd s PHE 311 N -1.50 1.23 0.00 -0.53 0.08 -1.26 -5.01 117.98 110.99 3hrd s PHE 311 Ca 0.42 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.10 3hrd s PHE 311 Cb -0.17 -0.89 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 3hrd s PHE 311 CO 0.21 -0.17 0.60 0.25 -0.10 0.00 0.00 175.22 176.01 3hrd n THR 312 N 3.50 0.36 -4.33 0.64 -2.24 -1.26 -5.00 114.28 105.94 3hrd n THR 312 Ca -0.20 -0.45 -0.24 0.00 -2.27 0.00 0.00 64.05 60.88 3hrd n THR 312 Cb 0.53 0.98 -0.17 0.00 -2.10 0.00 0.00 70.33 69.57 3hrd n THR 312 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3hrd s HIS 313 N -0.36 1.31 0.08 4.78 3.76 -1.26 -5.13 115.29 118.47 3hrd s HIS 313 Ca 0.00 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 54.43 3hrd s HIS 313 Cb 0.00 -1.02 -0.04 0.00 1.11 0.00 0.00 32.58 32.63 3hrd s HIS 313 CO 0.00 -0.31 0.12 0.95 -0.85 0.00 0.00 174.74 174.65 3hrd s THR 314 N 0.97 4.77 0.45 1.30 -4.23 -1.26 -4.35 115.64 113.29 3hrd s THR 314 Ca -0.09 -0.69 -0.07 0.00 -1.18 0.00 0.00 61.69 59.65 3hrd s THR 314 Cb -0.15 -3.32 -0.05 0.00 1.34 0.00 0.00 72.50 70.33 3hrd s THR 314 CO 0.00 0.10 0.77 -2.16 -0.54 0.00 0.00 174.62 172.80 3hrd s PRO 315 N -2.50 3.63 -0.73 3.99 0.04 -1.26 -5.12 135.00 133.05 3hrd s PRO 315 Ca 0.31 0.29 -0.17 0.00 0.04 0.00 0.00 61.00 61.47 3hrd s PRO 315 Cb -0.12 -2.39 0.15 0.00 0.04 0.00 0.00 34.50 32.18 3hrd s PRO 315 CO 0.24 -0.14 0.79 0.42 0.04 0.00 0.00 177.00 178.35 3hrd s ILE 316 N -2.60 5.08 0.61 0.56 1.01 -0.37 -5.01 121.20 120.48 3hrd s ILE 316 Ca 0.49 -1.61 -0.02 0.00 0.00 0.00 0.00 60.65 59.51 3hrd s ILE 316 Cb -0.10 -4.53 0.05 0.00 0.01 0.00 0.00 42.46 37.88 3hrd s ILE 316 CO 0.40 -1.15 0.87 -0.04 0.00 0.00 0.00 174.94 175.02 3hrd s MET 317 N 1.82 2.39 0.55 2.79 -1.94 -1.26 -4.61 119.30 119.03 3hrd s MET 317 Ca 0.17 -0.61 0.22 0.00 -1.71 0.00 0.00 55.69 53.76 3hrd s MET 317 Cb -0.17 -2.37 1.50 0.00 2.01 0.00 0.00 34.83 35.81 3hrd s MET 317 CO -0.02 -0.93 2.19 -1.35 -0.01 0.00 0.00 175.02 174.91 3hrd h PRO 318 N -0.19 0.00 -0.24 2.03 0.11 -1.88 -1.40 132.00 130.43 3hrd h PRO 318 Ca -0.43 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.50 3hrd h PRO 318 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3hrd h PRO 318 CO 0.55 0.00 -0.59 1.57 -0.21 0.00 0.00 178.00 179.32 3hrd h LYS 319 N 0.00 0.78 -0.12 1.05 2.10 -1.90 -2.31 116.57 116.17 3hrd h LYS 319 Ca -0.00 -0.52 -0.11 0.00 -2.00 0.00 0.00 60.65 58.02 3hrd h LYS 319 Cb 0.01 0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 3hrd h LYS 319 CO 0.00 1.15 -0.42 -0.44 -2.00 0.00 0.00 179.45 177.73 3hrd h ASP 320 N 0.59 0.30 0.37 7.07 3.32 -1.69 -1.95 116.42 124.44 3hrd h ASP 320 Ca 0.00 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3hrd h ASP 320 Cb 1.19 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.66 3hrd h ASP 320 CO 0.12 0.69 -0.18 0.40 -1.72 0.00 0.00 179.24 178.56 3hrd h ILE 321 N 0.24 0.00 -0.96 0.35 1.08 -1.17 -2.05 117.51 115.01 3hrd h ILE 321 Ca 0.02 -0.09 0.24 0.00 -0.39 0.00 0.00 64.86 64.64 3hrd h ILE 321 Cb 0.85 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.47 3hrd h ILE 321 CO 0.07 0.00 0.51 0.58 -0.69 0.00 0.00 178.15 178.62 3hrd h VAL 322 N -0.59 0.49 -0.63 1.67 2.07 -1.46 0.16 116.25 117.96 3hrd h VAL 322 Ca -0.05 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 3hrd h VAL 322 Cb 0.38 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3hrd h VAL 322 CO 0.08 0.09 0.19 0.00 0.02 0.00 0.00 177.57 177.96 3hrd h ALA 323 N 1.73 1.16 0.00 1.67 0.00 -1.33 -0.61 119.26 121.89 3hrd h ALA 323 Ca 0.62 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 3hrd h ALA 323 Cb 1.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3hrd h ALA 323 CO -0.51 0.58 -0.22 0.00 0.00 0.00 0.00 179.25 179.10 3hrd h ALA 324 N 1.29 0.93 0.08 0.00 0.00 0.01 -2.91 119.26 118.67 3hrd h ALA 324 Ca 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hrd h ALA 324 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hrd h ALA 324 CO -0.01 0.28 -0.04 0.28 0.00 0.00 0.00 179.25 179.76 3hrd h VAL 325 N 0.00 0.74 -0.12 0.00 2.07 -0.39 -3.33 116.25 115.22 3hrd h VAL 325 Ca -0.00 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 3hrd h VAL 325 Cb 0.91 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3hrd h VAL 325 CO 0.03 0.23 0.05 0.11 0.02 0.00 0.00 177.57 178.01 3hrd h LYS 326 N -0.97 0.16 -1.10 1.57 1.79 -1.23 -2.05 116.57 114.75 3hrd h LYS 326 Ca -0.01 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3hrd h LYS 326 Cb 0.46 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 3hrd h LYS 326 CO 0.02 0.14 0.00 0.00 -1.08 0.00 0.00 179.45 178.53 3hrd n ALA 327 N -2.52 2.25 0.00 3.86 0.00 -1.10 -2.67 120.51 120.34 3hrd n ALA 327 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3hrd n ALA 327 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3hrd n ALA 327 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hrd n GLN 328 N 0.47 2.27 -1.57 0.00 6.02 -0.77 -5.03 117.38 118.77 3hrd n GLN 328 Ca 0.00 0.00 -0.61 0.00 -0.01 0.00 0.00 57.00 56.38 3hrd n GLN 328 Cb 0.34 -0.57 -0.09 0.00 1.02 0.00 0.00 30.24 30.94 3hrd n GLN 328 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3hrd n GLU 329 N -0.52 0.00 0.00 -1.09 1.02 -1.09 -5.16 120.64 113.80 3hrd n GLU 329 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hrd n GLU 329 Cb 0.04 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3hrd n GLU 329 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94