#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddu h LYS 2 N 0.00 0.58 -0.07 0.03 3.64 -1.99 -1.56 116.57 117.21 1ddu h LYS 2 Ca 0.00 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.17 1ddu h LYS 2 Cb 0.00 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1ddu h LYS 2 CO 0.00 0.38 -0.63 1.96 -2.27 0.00 0.00 179.45 178.89 1ddu h GLN 3 N 0.60 0.55 0.44 1.90 7.50 -1.98 -2.83 115.11 121.28 1ddu h GLN 3 Ca 0.21 -0.50 -0.02 0.00 0.50 0.00 0.00 58.65 58.85 1ddu h GLN 3 Cb 0.12 0.12 0.00 0.00 0.05 0.00 0.00 27.48 27.77 1ddu h GLN 3 CO -0.06 1.13 -0.21 -0.92 -1.50 0.00 0.00 178.83 177.27 1ddu h TYR 4 N 0.14 -0.54 -0.30 2.96 3.20 -1.96 -1.55 116.97 118.91 1ddu h TYR 4 Ca -0.06 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.82 1ddu h TYR 4 Cb 1.30 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.73 1ddu h TYR 4 CO 0.12 -0.22 0.20 -0.07 -1.64 0.00 0.00 178.16 176.55 1ddu h LEU 5 N -0.91 0.28 -0.82 2.82 3.38 -1.42 -0.12 115.31 118.52 1ddu h LEU 5 Ca -0.06 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1ddu h LEU 5 Cb 0.57 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1ddu h LEU 5 CO 0.10 0.20 -0.34 -0.33 0.09 0.00 0.00 178.44 178.15 1ddu h GLU 6 N 0.33 0.48 -0.05 1.13 5.08 -1.46 -2.54 114.58 117.54 1ddu h GLU 6 Ca 0.12 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1ddu h GLU 6 Cb 0.08 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1ddu h GLU 6 CO -0.03 0.76 -0.00 1.25 -1.00 0.00 0.00 179.01 179.99 1ddu h LEU 7 N 0.41 0.10 -0.84 1.33 6.46 0.02 -1.77 115.31 121.01 1ddu h LEU 7 Ca 0.05 -0.32 0.05 0.00 -0.12 0.00 0.00 57.88 57.53 1ddu h LEU 7 Cb 0.80 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.65 1ddu h LEU 7 CO 0.06 0.39 0.53 0.24 -0.62 0.00 0.00 178.44 179.04 1ddu h MET 8 N -0.20 0.97 0.00 1.25 0.00 -1.35 0.93 114.93 116.53 1ddu h MET 8 Ca 0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 59.70 59.60 1ddu h MET 8 Cb 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 31.60 31.72 1ddu h MET 8 CO 0.00 0.64 -0.26 0.37 0.00 0.00 0.00 176.91 177.66 1ddu h GLN 9 N 1.00 0.00 -0.02 1.72 5.75 -1.41 -1.77 115.11 120.38 1ddu h GLN 9 Ca 0.35 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.67 1ddu h GLN 9 Cb 0.08 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 1ddu h GLN 9 CO -0.14 0.26 -0.80 -0.22 -2.65 0.00 0.00 178.83 175.28 1ddu h LYS 10 N 0.00 0.21 0.00 1.69 3.64 0.08 -0.96 116.57 121.23 1ddu h LYS 10 Ca -0.00 -0.20 -0.20 0.00 -1.27 0.00 0.00 60.65 58.97 1ddu h LYS 10 Cb 0.49 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1ddu h LYS 10 CO 0.03 0.90 -1.12 -0.39 -2.27 0.00 0.00 179.45 176.61 1ddu h VAL 11 N 0.13 1.21 -0.07 2.00 -1.51 -1.19 0.12 116.25 116.94 1ddu h VAL 11 Ca -0.03 -2.86 -0.13 0.00 -1.23 0.00 0.00 66.70 62.44 1ddu h VAL 11 Cb 1.39 2.57 -0.01 0.00 -2.13 0.00 0.00 31.29 33.11 1ddu h VAL 11 CO 0.12 0.69 -0.55 -0.07 -1.23 0.00 0.00 177.57 176.53 1ddu h LEU 12 N 0.00 0.24 0.10 4.19 3.38 -1.27 0.52 115.31 122.47 1ddu h LEU 12 Ca -0.09 -0.12 -0.32 0.00 0.09 0.00 0.00 57.88 57.43 1ddu h LEU 12 Cb 1.73 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 1ddu h LEU 12 CO 0.10 0.74 -1.71 0.44 0.09 0.00 0.00 178.44 178.10 1ddu h ASP 13 N 0.16 0.35 -0.13 -0.43 3.32 -1.19 -3.40 116.42 115.11 1ddu h ASP 13 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.46 1ddu h ASP 13 Cb 1.02 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1ddu h ASP 13 CO 0.08 1.51 0.00 -0.62 -1.72 0.00 0.00 179.24 178.49 1ddu n GLU 14 N -3.40 1.38 -2.99 3.56 1.02 0.03 -5.05 120.64 115.19 1ddu n GLU 14 Ca -0.21 -1.52 -0.32 0.00 -0.02 0.00 0.00 57.16 55.09 1ddu n GLU 14 Cb 1.05 -1.27 -0.05 0.00 -0.02 0.00 0.00 31.44 31.15 1ddu n GLU 14 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ddu s GLY 15 N -1.06 2.21 0.06 0.62 0.00 0.18 -4.82 107.32 104.51 1ddu s GLY 15 Ca 0.18 0.01 0.02 0.00 0.00 0.00 0.00 44.72 44.94 1ddu s GLY 15 CO 0.17 0.22 0.06 -1.08 0.00 0.00 0.00 173.10 172.47 1ddu s THR 16 N -2.15 4.47 0.04 0.90 -1.32 -0.97 -4.75 115.64 111.86 1ddu s THR 16 Ca 0.54 -0.71 -0.30 0.00 -1.21 0.00 0.00 61.69 60.01 1ddu s THR 16 Cb -0.10 -3.11 -0.05 0.00 -1.51 0.00 0.00 72.50 67.73 1ddu s THR 16 CO 0.22 0.19 1.20 -1.58 -2.21 0.00 0.00 174.62 172.44 1ddu s GLN 17 N -2.16 4.42 0.37 7.08 0.74 -1.26 -0.94 119.66 127.90 1ddu s GLN 17 Ca 0.27 1.75 0.01 0.00 0.05 0.00 0.00 55.36 57.43 1ddu s GLN 17 Cb -0.12 -3.40 0.01 0.00 1.10 0.00 0.00 33.01 30.60 1ddu s GLN 17 CO 0.19 -0.29 0.04 1.63 -0.55 0.00 0.00 175.29 176.31 1ddu n LYS 18 N 4.19 1.08 -4.28 1.67 5.02 -0.16 -4.93 118.16 120.75 1ddu n LYS 18 Ca 0.09 -2.65 -0.19 0.00 -2.02 0.00 0.00 58.31 53.54 1ddu n LYS 18 Cb 0.46 0.65 -0.11 0.00 -0.02 0.00 0.00 35.03 36.01 1ddu n LYS 18 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1ddu s ASN 19 N -3.06 2.29 0.27 4.39 0.01 -1.26 -2.98 114.94 114.60 1ddu s ASN 19 Ca 0.03 -0.84 -0.04 0.00 -0.71 0.00 0.00 52.86 51.30 1ddu s ASN 19 Cb -0.00 -0.11 -0.02 0.00 0.41 0.00 0.00 41.25 41.53 1ddu s ASN 19 CO 0.02 -0.10 0.34 1.51 -1.51 0.00 0.00 177.10 177.36 1ddu s ASP 20 N -2.58 0.46 0.32 -1.22 -4.77 -1.26 -4.92 116.67 102.70 1ddu s ASP 20 Ca 0.12 -1.33 0.06 0.00 -3.30 0.00 0.00 52.55 48.10 1ddu s ASP 20 Cb -0.05 0.54 0.71 0.00 -1.09 0.00 0.00 42.92 43.03 1ddu s ASP 20 CO 0.05 -1.08 1.85 0.08 0.70 0.00 0.00 175.17 176.76 1ddu h ARG 21 N 2.32 0.79 0.00 2.11 0.11 -2.02 0.12 114.38 117.82 1ddu h ARG 21 Ca -0.30 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1ddu h ARG 21 Cb 1.25 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1ddu h ARG 21 CO 0.42 0.52 0.00 0.25 0.10 0.00 0.00 179.97 181.27 1ddu n THR 22 N -4.60 0.31 -1.01 0.08 -2.24 -1.26 -4.86 114.28 100.70 1ddu n THR 22 Ca 0.19 0.08 -0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1ddu n THR 22 Cb 0.44 -0.71 -0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1ddu n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ddu n GLY 23 N 0.58 0.25 0.09 3.38 0.00 0.03 -4.77 105.19 104.74 1ddu n GLY 23 Ca 0.10 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1ddu n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ddu h THR 24 N 0.00 1.59 0.00 2.61 2.02 -1.89 -3.46 112.91 113.77 1ddu h THR 24 Ca -0.00 -3.20 0.00 0.00 0.77 0.00 0.00 66.41 63.97 1ddu h THR 24 Cb 0.54 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 1ddu h THR 24 CO 0.01 0.93 0.00 0.61 0.37 0.00 0.00 175.52 177.43 1ddu n GLY 25 N 1.44 1.47 3.14 2.16 0.00 -1.26 -4.63 105.19 107.50 1ddu n GLY 25 Ca -0.05 -1.56 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 1ddu n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ddu s THR 26 N -1.40 0.11 -0.14 2.61 -4.23 -1.16 -2.20 115.64 109.23 1ddu s THR 26 Ca 0.00 -0.90 -0.15 0.00 -1.18 0.00 0.00 61.69 59.46 1ddu s THR 26 Cb 0.00 -0.76 -0.05 0.00 1.34 0.00 0.00 72.50 73.04 1ddu s THR 26 CO 0.00 -0.50 0.35 -0.76 -0.54 0.00 0.00 174.62 173.18 1ddu s LEU 27 N -1.88 4.26 -0.04 4.79 1.43 0.16 -0.99 118.68 126.41 1ddu s LEU 27 Ca -0.08 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 1ddu s LEU 27 Cb -0.03 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.74 1ddu s LEU 27 CO -0.02 0.07 -0.02 -0.55 0.23 0.00 0.00 176.35 176.06 1ddu s SER 28 N 0.48 0.74 0.29 2.29 0.15 -0.12 -1.51 113.70 116.02 1ddu s SER 28 Ca 0.20 -0.08 0.08 0.00 0.70 0.00 0.00 55.95 56.85 1ddu s SER 28 Cb -0.14 -0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 63.80 1ddu s SER 28 CO 0.06 -0.08 0.18 0.27 1.20 0.00 0.00 173.24 174.87 1ddu s ILE 29 N 1.03 3.83 -0.11 6.45 -4.36 -0.70 -2.29 121.20 125.04 1ddu s ILE 29 Ca -0.10 -1.52 0.03 0.00 -0.26 0.00 0.00 60.65 58.80 1ddu s ILE 29 Cb -0.14 -3.19 0.01 0.00 1.25 0.00 0.00 42.46 40.39 1ddu s ILE 29 CO -0.01 -0.28 -0.20 0.12 0.24 0.00 0.00 174.94 174.81 1ddu s PHE 30 N -2.25 2.32 0.00 1.37 5.36 -1.26 -1.85 117.98 121.67 1ddu s PHE 30 Ca 0.35 -1.07 0.00 0.00 -0.96 0.00 0.00 56.93 55.25 1ddu s PHE 30 Cb -0.06 -1.60 0.00 0.00 -0.34 0.00 0.00 43.02 41.01 1ddu s PHE 30 CO 0.24 -0.49 0.00 0.41 -1.46 0.00 0.00 175.22 173.92 1ddu n GLY 31 N 3.95 -2.76 3.47 13.12 0.00 -0.54 -5.02 105.19 117.41 1ddu n GLY 31 Ca -0.20 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.96 1ddu n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ddu s HIS 32 N 0.00 -0.57 -0.12 1.61 2.46 -1.09 -4.98 115.29 112.60 1ddu s HIS 32 Ca 0.00 1.05 -0.09 0.00 0.47 0.00 0.00 55.06 56.49 1ddu s HIS 32 Cb 0.00 0.32 0.04 0.00 -0.13 0.00 0.00 32.58 32.81 1ddu s HIS 32 CO 0.00 -0.53 0.30 -1.14 -2.47 0.00 0.00 174.74 170.91 1ddu s GLN 33 N -0.99 0.32 0.09 2.88 0.74 -1.26 -0.70 119.66 120.74 1ddu s GLN 33 Ca -0.10 0.49 -0.05 0.00 0.05 0.00 0.00 55.36 55.75 1ddu s GLN 33 Cb -0.02 0.08 -0.02 0.00 1.10 0.00 0.00 33.01 34.15 1ddu s GLN 33 CO 0.08 -0.08 0.12 0.00 -0.55 0.00 0.00 175.29 174.85 1ddu s MET 34 N 0.57 0.83 -0.02 1.67 0.23 -0.93 -5.01 119.30 116.63 1ddu s MET 34 Ca -0.03 -1.13 0.01 0.00 -1.03 0.00 0.00 55.69 53.51 1ddu s MET 34 Cb -0.05 0.30 0.01 0.00 -1.53 0.00 0.00 34.83 33.56 1ddu s MET 34 CO -0.03 -0.24 -0.04 0.50 -2.03 0.00 0.00 175.02 173.18 1ddu s ARG 35 N -3.92 0.48 -0.20 3.16 3.52 -1.26 -0.98 118.95 119.75 1ddu s ARG 35 Ca 0.10 -0.11 -0.01 0.00 -0.13 0.00 0.00 55.73 55.58 1ddu s ARG 35 Cb 0.06 -0.51 0.00 0.00 -1.56 0.00 0.00 34.95 32.94 1ddu s ARG 35 CO -0.07 0.01 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.25 1ddu s PHE 36 N 0.36 2.87 -0.32 5.12 0.40 -0.53 -4.99 117.98 120.89 1ddu s PHE 36 Ca -0.04 -1.26 -0.25 0.00 -0.60 0.00 0.00 56.93 54.78 1ddu s PHE 36 Cb -0.07 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.45 1ddu s PHE 36 CO -0.00 -0.66 0.88 1.21 0.70 0.00 0.00 175.22 177.34 1ddu s ASN 37 N 1.36 6.74 0.00 1.36 3.04 -1.26 -0.95 114.94 125.23 1ddu s ASN 37 Ca 0.05 0.75 0.21 0.00 0.04 0.00 0.00 52.86 53.92 1ddu s ASN 37 Cb -0.14 -2.45 0.98 0.00 -1.54 0.00 0.00 41.25 38.10 1ddu s ASN 37 CO -0.08 -0.71 1.69 0.18 -3.04 0.00 0.00 177.10 175.14 1ddu n LEU 38 N 6.44 0.00 0.18 3.21 4.77 -0.91 -2.12 117.00 128.57 1ddu n LEU 38 Ca 0.06 0.42 0.03 0.00 -0.03 0.00 0.00 56.01 56.49 1ddu n LEU 38 Cb 0.48 -0.42 0.34 0.00 -2.33 0.00 0.00 43.42 41.49 1ddu n LEU 38 CO 0.53 -0.12 0.69 1.56 -1.33 0.00 0.00 177.39 178.72 1ddu h GLN 39 N 0.00 0.00 0.00 3.23 1.08 -1.77 -3.21 115.11 114.44 1ddu h GLN 39 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ddu h GLN 39 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1ddu h GLN 39 CO 0.00 0.41 0.00 -0.44 -0.95 0.00 0.00 178.83 177.85 1ddu h ASP 40 N 0.00 0.00 -3.43 1.46 3.32 -1.83 -3.49 116.42 112.46 1ddu h ASP 40 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ddu h ASP 40 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1ddu h ASP 40 CO 0.05 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.18 1ddu n GLY 41 N 0.43 3.81 3.68 2.75 0.00 -1.21 -4.85 105.19 109.80 1ddu n GLY 41 Ca 0.03 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1ddu n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ddu s PHE 42 N -2.00 3.35 -1.25 1.61 5.36 -0.51 -4.67 117.98 119.88 1ddu s PHE 42 Ca 0.00 1.42 -0.18 0.00 -0.96 0.00 0.00 56.93 57.20 1ddu s PHE 42 Cb 0.00 -3.30 -0.00 0.00 -0.34 0.00 0.00 43.02 39.38 1ddu s PHE 42 CO 0.00 -0.72 1.96 -0.35 -1.46 0.00 0.00 175.22 174.65 1ddu n PRO 43 N 5.29 2.55 -4.22 10.12 -0.04 -1.26 -4.04 135.00 143.39 1ddu n PRO 43 Ca 0.10 -2.69 -0.34 0.00 -0.04 0.00 0.00 63.50 60.54 1ddu n PRO 43 Cb 0.47 -3.37 -0.15 0.00 -0.04 0.00 0.00 33.50 30.41 1ddu n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ddu s LEU 44 N 4.17 2.43 0.18 1.53 2.96 -1.26 -4.05 118.68 124.63 1ddu s LEU 44 Ca 0.55 -0.53 -0.33 0.00 -0.22 0.00 0.00 54.13 53.60 1ddu s LEU 44 Cb 0.08 -1.57 -0.14 0.00 0.50 0.00 0.00 46.19 45.07 1ddu s LEU 44 CO 0.04 0.03 1.55 1.33 -1.32 0.00 0.00 176.35 177.98 1ddu n VAL 45 N 4.46 0.16 0.72 1.68 0.24 -1.26 -4.75 118.33 119.58 1ddu n VAL 45 Ca -0.20 -0.04 0.10 0.00 -2.04 0.00 0.00 64.34 62.17 1ddu n VAL 45 Cb 0.51 -1.54 -0.11 0.00 -1.47 0.00 0.00 33.84 31.23 1ddu n VAL 45 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1ddu n THR 46 N 3.17 0.01 0.60 3.34 -2.24 -1.26 -4.43 114.28 113.47 1ddu n THR 46 Ca 0.16 -0.14 0.03 0.00 -2.27 0.00 0.00 64.05 61.83 1ddu n THR 46 Cb 0.29 0.68 0.15 0.00 -2.10 0.00 0.00 70.33 69.34 1ddu n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ddu n THR 47 N -1.72 0.79 -3.56 4.28 -2.24 -1.26 -0.65 114.28 109.92 1ddu n THR 47 Ca 0.02 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 1ddu n THR 47 Cb 0.40 -0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 68.41 1ddu n THR 47 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1ddu s LYS 48 N -1.66 0.73 -0.08 -0.78 -2.85 -1.26 -4.71 119.74 109.13 1ddu s LYS 48 Ca 0.20 0.19 -0.30 0.00 -1.00 0.00 0.00 55.97 55.07 1ddu s LYS 48 Cb 0.14 0.35 -0.02 0.00 -2.06 0.00 0.00 37.83 36.24 1ddu s LYS 48 CO 0.09 -0.23 1.02 0.50 0.10 0.00 0.00 175.35 176.83 1ddu s ARG 49 N -1.10 4.45 0.08 1.78 3.52 -1.14 -4.69 118.95 121.85 1ddu s ARG 49 Ca -0.04 1.42 0.05 0.00 -0.13 0.00 0.00 55.73 57.02 1ddu s ARG 49 Cb -0.00 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1ddu s ARG 49 CO 0.04 -0.27 -0.01 0.00 -0.81 0.00 0.00 175.30 174.25 1ddu s HIS 51 N -1.27 3.62 0.31 0.00 2.46 -1.26 -4.94 115.29 114.22 1ddu s HIS 51 Ca 0.24 -1.81 0.05 0.00 0.47 0.00 0.00 55.06 54.01 1ddu s HIS 51 Cb -0.12 -3.81 0.67 0.00 -0.13 0.00 0.00 32.58 29.20 1ddu s HIS 51 CO 0.17 -1.00 1.83 -0.07 -2.47 0.00 0.00 174.74 173.20 1ddu h LEU 52 N 8.08 0.82 -1.26 8.88 -0.00 -2.00 -3.03 115.31 126.80 1ddu h LEU 52 Ca -0.01 0.06 0.26 0.00 -0.00 0.00 0.00 57.88 58.19 1ddu h LEU 52 Cb 1.06 -0.10 -0.10 0.00 -0.00 0.00 0.00 40.66 41.51 1ddu h LEU 52 CO 0.83 0.40 0.65 -0.09 -0.00 0.00 0.00 178.44 180.23 1ddu h ARG 53 N 0.86 0.44 0.03 1.13 2.43 -2.00 0.41 114.38 117.68 1ddu h ARG 53 Ca 0.50 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 59.43 1ddu h ARG 53 Cb 0.65 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1ddu h ARG 53 CO -0.27 0.29 -0.99 0.77 -1.51 0.00 0.00 179.97 178.26 1ddu h SER 54 N 0.45 0.21 0.25 -3.80 0.02 -1.92 -2.79 113.55 105.97 1ddu h SER 54 Ca 0.61 -0.20 -0.20 0.00 -0.84 0.00 0.00 61.79 61.17 1ddu h SER 54 Cb 1.43 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.90 1ddu h SER 54 CO -0.35 1.07 -0.79 0.40 -1.14 0.00 0.00 176.83 176.02 1ddu h ILE 55 N 0.07 1.38 0.06 3.27 2.04 -1.18 -1.91 117.51 121.24 1ddu h ILE 55 Ca -0.05 -2.22 -0.16 0.00 1.00 0.00 0.00 64.86 63.43 1ddu h ILE 55 Cb 1.67 2.19 0.02 0.00 -0.74 0.00 0.00 36.82 39.96 1ddu h ILE 55 CO 0.15 0.67 -0.66 0.40 0.00 0.00 0.00 178.15 178.70 1ddu h ILE 56 N 0.28 1.48 -0.28 -0.67 2.04 -1.07 -2.83 117.51 116.47 1ddu h ILE 56 Ca -0.05 -2.28 -0.08 0.00 1.00 0.00 0.00 64.86 63.46 1ddu h ILE 56 Cb 1.39 2.89 -0.02 0.00 -0.74 0.00 0.00 36.82 40.35 1ddu h ILE 56 CO 0.14 0.65 -0.16 0.45 0.00 0.00 0.00 178.15 179.23 1ddu h HIS 57 N -0.27 0.53 -0.20 1.37 3.86 -1.58 -1.59 115.15 117.27 1ddu h HIS 57 Ca -0.10 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 1ddu h HIS 57 Cb 1.43 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.76 1ddu h HIS 57 CO 0.17 0.63 0.05 1.49 0.86 0.00 0.00 177.93 181.14 1ddu h GLU 58 N 0.44 0.32 -0.87 2.45 4.81 -1.41 -2.10 114.58 118.23 1ddu h GLU 58 Ca 0.08 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1ddu h GLU 58 Cb 0.54 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 1ddu h GLU 58 CO 0.03 0.44 0.56 1.25 -0.73 0.00 0.00 179.01 180.56 1ddu h LEU 59 N 0.15 1.02 -0.96 1.64 7.12 -1.23 -1.29 115.31 121.76 1ddu h LEU 59 Ca 0.06 -0.04 -0.06 0.00 0.13 0.00 0.00 57.88 57.97 1ddu h LEU 59 Cb 0.26 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.10 1ddu h LEU 59 CO -0.00 0.76 0.08 -0.07 -0.13 0.00 0.00 178.44 179.09 1ddu h LEU 60 N 1.19 0.79 -0.38 2.25 4.07 -1.23 -1.98 115.31 120.03 1ddu h LEU 60 Ca 0.32 -0.16 -0.05 0.00 0.08 0.00 0.00 57.88 58.06 1ddu h LEU 60 Cb -0.10 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.42 1ddu h LEU 60 CO -0.06 0.81 0.04 -0.25 -1.08 0.00 0.00 178.44 177.89 1ddu h TRP 61 N 0.80 0.69 -0.85 1.13 7.01 -0.88 -1.92 115.95 121.92 1ddu h TRP 61 Ca 0.17 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 1ddu h TRP 61 Cb 0.36 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 1ddu h TRP 61 CO 0.02 0.70 0.51 0.74 -2.79 0.00 0.00 178.44 177.62 1ddu h PHE 62 N 0.47 1.12 0.00 2.65 0.04 -0.87 -2.93 116.94 117.42 1ddu h PHE 62 Ca 0.11 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 1ddu h PHE 62 Cb 0.40 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1ddu h PHE 62 CO 0.03 0.75 -0.18 -0.07 -0.60 0.00 0.00 178.31 178.23 1ddu h LEU 63 N 1.17 0.00 -0.05 1.54 3.38 -1.15 -2.85 115.31 117.35 1ddu h LEU 63 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1ddu h LEU 63 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1ddu h LEU 63 CO -0.06 0.18 0.00 1.56 0.09 0.00 0.00 178.44 180.22 1ddu h GLN 64 N 0.00 0.00 0.00 1.13 1.08 -1.17 -3.47 115.11 112.67 1ddu h GLN 64 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ddu h GLN 64 Cb 1.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1ddu h GLN 64 CO 0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.31 1ddu n GLY 65 N 1.22 0.59 3.76 3.46 0.00 -1.08 -5.07 105.19 108.07 1ddu n GLY 65 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1ddu n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ddu s ASP 66 N -2.85 7.34 -0.04 1.61 2.15 -1.15 -3.74 116.67 119.99 1ddu s ASP 66 Ca 0.00 2.04 0.05 0.00 0.43 0.00 0.00 52.55 55.08 1ddu s ASP 66 Cb 0.00 -2.61 0.08 0.00 -0.30 0.00 0.00 42.92 40.10 1ddu s ASP 66 CO 0.00 -0.07 0.95 0.35 -0.17 0.00 0.00 175.17 176.23 1ddu n THR 67 N 1.00 0.66 -4.95 1.71 -2.24 -1.26 -4.48 114.28 104.72 1ddu n THR 67 Ca 0.00 -0.77 -0.32 0.00 -2.27 0.00 0.00 64.05 60.68 1ddu n THR 67 Cb 0.47 0.38 -0.14 0.00 -2.10 0.00 0.00 70.33 68.95 1ddu n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ddu s ASN 68 N -1.35 3.85 0.00 3.42 3.84 -1.26 -2.04 114.94 121.40 1ddu s ASN 68 Ca 0.09 -0.26 0.12 0.00 0.21 0.00 0.00 52.86 53.02 1ddu s ASN 68 Cb 0.08 -0.88 0.71 0.00 -0.55 0.00 0.00 41.25 40.61 1ddu s ASN 68 CO 0.01 0.32 1.32 2.30 -2.79 0.00 0.00 177.10 178.25 1ddu n ILE 69 N 2.51 0.00 -0.07 -5.21 -5.35 -0.87 -3.86 119.36 106.50 1ddu n ILE 69 Ca -0.17 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.22 1ddu n ILE 69 Cb 0.52 -0.31 -0.02 0.00 -1.74 0.00 0.00 39.64 38.09 1ddu n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ddu h ALA 70 N 3.10 0.35 -0.38 -1.28 0.00 -1.93 -0.88 119.26 118.24 1ddu h ALA 70 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1ddu h ALA 70 Cb 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1ddu h ALA 70 CO 0.00 -0.21 -0.01 -0.92 0.00 0.00 0.00 179.25 178.11 1ddu h TYR 71 N 0.34 -0.05 -0.34 0.00 3.20 -2.00 -1.26 116.97 116.86 1ddu h TYR 71 Ca 0.11 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1ddu h TYR 71 Cb -0.01 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1ddu h TYR 71 CO -0.07 -0.09 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.26 1ddu h LEU 72 N 0.09 0.52 -0.22 2.82 3.38 -1.72 -2.51 115.31 117.67 1ddu h LEU 72 Ca 0.18 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1ddu h LEU 72 Cb 0.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1ddu h LEU 72 CO -0.32 0.61 -0.06 0.45 0.09 0.00 0.00 178.44 179.21 1ddu h HIS 73 N 0.52 0.48 -1.13 1.13 3.86 -0.88 0.13 115.15 119.26 1ddu h HIS 73 Ca 0.11 -0.11 0.33 0.00 -1.16 0.00 0.00 60.37 59.54 1ddu h HIS 73 Cb 0.38 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.69 1ddu h HIS 73 CO 0.01 0.67 0.91 0.93 0.86 0.00 0.00 177.93 181.31 1ddu h GLU 74 N 0.16 0.00 -0.21 2.45 5.08 -0.78 -1.15 114.58 120.12 1ddu h GLU 74 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ddu h GLU 74 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ddu h GLU 74 CO 0.02 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.12 1ddu n ASN 75 N -3.94 3.51 -3.22 1.42 4.13 -1.10 -4.99 115.26 111.08 1ddu n ASN 75 Ca 0.24 -2.96 -0.22 0.00 1.68 0.00 0.00 54.58 53.32 1ddu n ASN 75 Cb 1.28 -0.50 0.06 0.00 -1.54 0.00 0.00 39.78 39.08 1ddu n ASN 75 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1ddu n ASN 76 N -0.63 -6.13 -4.44 6.41 3.02 -0.44 -5.02 115.26 108.03 1ddu n ASN 76 Ca 0.19 -0.41 -0.33 0.00 -0.03 0.00 0.00 54.58 54.00 1ddu n ASN 76 Cb 0.81 -4.84 -0.13 0.00 -0.61 0.00 0.00 39.78 35.01 1ddu n ASN 76 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ddu s VAL 77 N -3.24 3.46 -0.06 2.41 1.01 0.44 -4.99 120.40 119.42 1ddu s VAL 77 Ca 0.44 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.99 1ddu s VAL 77 Cb -0.19 -2.48 0.14 0.00 0.00 0.00 0.00 36.38 33.84 1ddu s VAL 77 CO 0.55 0.51 1.04 0.35 0.00 0.00 0.00 175.10 177.55 1ddu n THR 78 N 3.46 1.30 0.30 3.92 -2.24 -1.26 -3.62 114.28 116.15 1ddu n THR 78 Ca -0.18 -1.48 0.20 0.00 -2.27 0.00 0.00 64.05 60.31 1ddu n THR 78 Cb 0.53 0.18 0.93 0.00 -2.10 0.00 0.00 70.33 69.86 1ddu n THR 78 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1ddu h ILE 79 N 0.62 0.04 -0.00 2.28 3.07 -1.96 -3.10 117.51 118.45 1ddu h ILE 79 Ca 0.00 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.12 1ddu h ILE 79 Cb 0.82 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 1ddu h ILE 79 CO 0.00 0.01 -0.36 0.79 -1.05 0.00 0.00 178.15 177.54 1ddu n TRP 80 N -3.12 0.00 -0.29 0.16 7.02 -1.26 -4.78 117.44 115.17 1ddu n TRP 80 Ca -0.01 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.57 1ddu n TRP 80 Cb 0.20 0.00 0.26 0.00 -2.42 0.00 0.00 31.31 29.35 1ddu n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1ddu h ASP 81 N 0.72 0.32 -0.27 -0.99 5.19 -1.91 -1.74 116.42 117.74 1ddu h ASP 81 Ca 0.00 0.14 0.08 0.00 -0.62 0.00 0.00 57.03 56.62 1ddu h ASP 81 Cb 0.33 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1ddu h ASP 81 CO 0.00 0.04 0.19 -0.33 -3.12 0.00 0.00 179.24 176.03 1ddu h GLU 82 N 0.43 0.00 0.00 3.56 3.07 -1.86 -2.59 114.58 117.18 1ddu h GLU 82 Ca 0.51 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 1ddu h GLU 82 Cb 0.90 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1ddu h GLU 82 CO -0.48 0.00 -0.84 0.91 -1.40 0.00 0.00 179.01 177.20 1ddu n TRP 83 N -4.46 0.05 -3.04 4.33 8.01 -0.66 -4.95 117.44 116.73 1ddu n TRP 83 Ca 0.03 0.01 -0.39 0.00 -1.31 0.00 0.00 57.50 55.84 1ddu n TRP 83 Cb 0.35 -0.18 -0.06 0.00 -2.01 0.00 0.00 31.31 29.41 1ddu n TRP 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ddu s ALA 84 N -3.05 3.45 1.00 6.99 0.00 -0.98 -4.86 121.76 124.31 1ddu s ALA 84 Ca 0.08 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1ddu s ALA 84 Cb 0.16 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1ddu s ALA 84 CO 0.80 0.22 0.00 -0.40 0.00 0.00 0.00 175.76 176.38 1ddu n ASP 85 N 2.10 -0.60 0.08 0.00 5.68 -0.70 -4.76 116.55 118.35 1ddu n ASP 85 Ca -0.05 -0.27 0.05 0.00 -0.50 0.00 0.00 54.79 54.03 1ddu n ASP 85 Cb 0.50 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 40.97 1ddu n ASP 85 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1ddu h GLU 86 N 0.00 0.37 -0.69 0.11 3.07 -1.98 -2.18 114.58 113.28 1ddu h GLU 86 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1ddu h GLU 86 Cb 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 1ddu h GLU 86 CO 0.00 0.25 0.00 0.09 -1.40 0.00 0.00 179.01 177.95 1ddu n ASN 87 N -4.49 4.39 0.00 1.42 5.03 -1.26 -4.95 115.26 115.39 1ddu n ASN 87 Ca 0.01 -2.25 0.00 0.00 0.87 0.00 0.00 54.58 53.21 1ddu n ASN 87 Cb 0.07 -0.54 0.00 0.00 -1.02 0.00 0.00 39.78 38.29 1ddu n ASN 87 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ddu n GLY 88 N 1.37 2.49 3.76 7.41 0.00 -0.82 -4.88 105.19 114.52 1ddu n GLY 88 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1ddu n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ddu s ASP 89 N -3.47 7.23 0.00 1.61 1.01 -1.26 -2.06 116.67 119.73 1ddu s ASP 89 Ca 0.00 2.27 0.11 0.00 0.71 0.00 0.00 52.55 55.64 1ddu s ASP 89 Cb 0.00 -2.63 0.17 0.00 1.01 0.00 0.00 42.92 41.47 1ddu s ASP 89 CO 0.00 -0.17 1.00 0.18 0.21 0.00 0.00 175.17 176.39 1ddu n LEU 90 N 1.11 2.29 0.00 1.23 4.77 -0.87 -1.72 117.00 123.82 1ddu n LEU 90 Ca -0.01 -1.35 0.03 0.00 -0.03 0.00 0.00 56.01 54.65 1ddu n LEU 90 Cb 0.45 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1ddu n LEU 90 CO 0.54 0.50 -0.04 0.61 -1.33 0.00 0.00 177.39 177.67 1ddu n GLY 91 N 0.61 -2.02 2.34 -0.72 0.00 -1.26 -1.26 105.19 102.88 1ddu n GLY 91 Ca 0.08 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.57 1ddu n GLY 91 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ddu n PRO 92 N -1.22 1.67 -0.02 1.61 -0.02 -1.25 -4.82 135.00 130.96 1ddu n PRO 92 Ca 0.00 -1.00 0.00 0.00 -2.02 0.00 0.00 63.50 60.48 1ddu n PRO 92 Cb 0.09 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1ddu n PRO 92 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1ddu n VAL 93 N 3.27 0.00 -0.25 -1.45 0.24 -1.26 -4.30 118.33 114.58 1ddu n VAL 93 Ca 0.36 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.67 1ddu n VAL 93 Cb 0.40 -1.88 0.05 0.00 -1.47 0.00 0.00 33.84 30.93 1ddu n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1ddu n TYR 94 N -0.27 0.09 -0.22 6.34 4.01 -1.26 -1.33 117.16 124.52 1ddu n TYR 94 Ca 0.00 0.82 -0.04 0.00 -0.16 0.00 0.00 57.90 58.52 1ddu n TYR 94 Cb 0.00 -0.79 0.07 0.00 -0.31 0.00 0.00 39.34 38.30 1ddu n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1ddu h GLY 95 N 0.00 0.91 0.51 2.72 0.00 -1.78 -1.31 103.07 104.11 1ddu h GLY 95 Ca 0.26 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1ddu h GLY 95 CO -0.67 0.22 -0.00 1.70 0.00 0.00 0.00 176.54 177.79 1ddu h LYS 96 N 0.73 -0.00 -0.81 4.80 1.63 -1.29 -2.60 116.57 119.03 1ddu h LYS 96 Ca 0.26 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.12 1ddu h LYS 96 Cb 0.06 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.64 1ddu h LYS 96 CO -0.12 0.49 0.53 1.96 -3.45 0.00 0.00 179.45 178.86 1ddu h GLN 97 N -0.50 0.86 -0.44 1.90 1.08 -1.42 -0.40 115.11 116.19 1ddu h GLN 97 Ca -0.00 -0.05 -0.14 0.00 -1.45 0.00 0.00 58.65 57.01 1ddu h GLN 97 Cb 0.49 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 1ddu h GLN 97 CO 0.00 0.57 -0.27 -1.49 -0.95 0.00 0.00 178.83 176.69 1ddu h TRP 98 N 0.89 1.11 0.00 2.96 4.06 -1.26 -3.24 115.95 120.47 1ddu h TRP 98 Ca 0.35 -0.29 0.00 0.00 2.06 0.00 0.00 58.89 61.01 1ddu h TRP 98 Cb 0.23 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.13 1ddu h TRP 98 CO -0.00 1.11 -1.82 0.54 -3.56 0.00 0.00 178.44 174.71 1ddu n ARG 99 N -4.09 0.58 -2.76 0.49 5.12 -0.98 -0.97 116.66 114.05 1ddu n ARG 99 Ca -0.01 -0.16 -0.08 0.00 -1.93 0.00 0.00 57.85 55.67 1ddu n ARG 99 Cb 0.48 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 30.33 1ddu n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ddu n ALA 100 N -2.12 -1.36 -2.37 7.54 0.00 -0.18 -4.03 120.51 117.99 1ddu n ALA 100 Ca -0.03 -1.42 -0.43 0.00 0.00 0.00 0.00 53.44 51.56 1ddu n ALA 100 Cb 0.52 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 1ddu n ALA 100 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1ddu s TRP 101 N 0.67 2.59 0.26 0.00 -0.11 -0.95 -4.56 118.94 116.84 1ddu s TRP 101 Ca 0.32 0.82 -0.31 0.00 1.22 0.00 0.00 56.10 58.15 1ddu s TRP 101 Cb 0.21 -3.88 -0.11 0.00 -1.50 0.00 0.00 33.47 28.19 1ddu s TRP 101 CO -0.24 -1.94 1.59 -1.25 -4.62 0.00 0.00 176.95 170.50 1ddu s PRO 102 N 4.19 4.15 0.51 5.86 0.04 -1.26 -2.33 135.00 146.16 1ddu s PRO 102 Ca 0.59 2.52 0.05 0.00 0.04 0.00 0.00 61.00 64.20 1ddu s PRO 102 Cb -0.19 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 31.33 1ddu s PRO 102 CO 0.23 -0.62 0.70 0.95 0.04 0.00 0.00 177.00 178.30 1ddu s THR 103 N 0.35 2.74 0.28 1.26 -4.23 -0.53 -4.99 115.64 110.51 1ddu s THR 103 Ca 0.66 -0.83 -0.02 0.00 -1.18 0.00 0.00 61.69 60.31 1ddu s THR 103 Cb -0.47 -2.90 0.19 0.00 1.34 0.00 0.00 72.50 70.66 1ddu s THR 103 CO 0.42 0.00 1.86 -0.65 -0.54 0.00 0.00 174.62 175.71 1ddu h PRO 104 N 0.29 0.95 -2.02 3.99 0.11 -1.97 -3.27 132.00 130.08 1ddu h PRO 104 Ca -0.40 -0.15 -0.63 0.00 0.11 0.00 0.00 66.00 64.94 1ddu h PRO 104 Cb 1.29 -0.17 -0.22 0.00 0.11 0.00 0.00 31.00 32.01 1ddu h PRO 104 CO 0.47 0.76 0.74 -0.40 -0.21 0.00 0.00 178.00 179.37 1ddu n ASP 105 N -4.32 6.98 0.00 -2.05 5.68 -1.26 -4.91 116.55 116.68 1ddu n ASP 105 Ca 0.06 -3.49 0.00 0.00 -0.50 0.00 0.00 54.79 50.86 1ddu n ASP 105 Cb 0.16 -1.16 0.00 0.00 -1.14 0.00 0.00 41.12 38.98 1ddu n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ddu n GLY 106 N 0.26 0.06 3.83 6.12 0.00 -1.23 -4.99 105.19 109.24 1ddu n GLY 106 Ca 0.51 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 1ddu n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ddu s ARG 107 N -1.08 1.27 -0.04 1.61 0.52 -1.26 -4.86 118.95 115.11 1ddu s ARG 107 Ca 0.00 0.14 -0.01 0.00 -0.52 0.00 0.00 55.73 55.34 1ddu s ARG 107 Cb 0.00 -1.87 0.03 0.00 0.52 0.00 0.00 34.95 33.64 1ddu s ARG 107 CO 0.00 -2.08 0.07 -1.01 0.02 0.00 0.00 175.30 172.30 1ddu s HIS 108 N -3.44 -0.04 -0.17 -0.53 3.76 -1.26 -1.46 115.29 112.15 1ddu s HIS 108 Ca 0.65 0.26 -0.06 0.00 -0.15 0.00 0.00 55.06 55.76 1ddu s HIS 108 Cb -0.12 -0.18 -0.04 0.00 1.11 0.00 0.00 32.58 33.35 1ddu s HIS 108 CO 0.52 -0.12 0.04 0.42 -0.85 0.00 0.00 174.74 174.75 1ddu s ILE 109 N 1.12 4.56 -0.40 0.60 1.01 -0.98 -4.89 121.20 122.23 1ddu s ILE 109 Ca -0.09 -0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 1ddu s ILE 109 Cb -0.12 -3.03 0.03 0.00 0.01 0.00 0.00 42.46 39.34 1ddu s ILE 109 CO -0.04 0.48 0.26 -0.62 0.00 0.00 0.00 174.94 175.03 1ddu s ASP 110 N 0.23 5.94 0.19 3.58 -1.08 -1.26 -2.24 116.67 122.04 1ddu s ASP 110 Ca 0.02 -0.98 0.26 0.00 -0.52 0.00 0.00 52.55 51.34 1ddu s ASP 110 Cb -0.13 -2.10 0.85 0.00 -1.46 0.00 0.00 42.92 40.09 1ddu s ASP 110 CO 0.01 -0.43 1.79 0.00 0.52 0.00 0.00 175.17 177.05 1ddu n GLN 111 N 5.09 0.24 -0.10 4.34 6.02 -0.14 -1.74 117.38 131.09 1ddu n GLN 111 Ca -0.11 0.21 -0.19 0.00 -0.01 0.00 0.00 57.00 56.89 1ddu n GLN 111 Cb 0.46 -1.78 -0.11 0.00 1.02 0.00 0.00 30.24 29.83 1ddu n GLN 111 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1ddu h ILE 112 N 0.00 1.06 0.00 5.09 1.08 -1.89 -3.05 117.51 119.80 1ddu h ILE 112 Ca 0.00 -2.16 -0.03 0.00 -0.39 0.00 0.00 64.86 62.28 1ddu h ILE 112 Cb 0.70 2.36 -0.00 0.00 -3.07 0.00 0.00 36.82 36.81 1ddu h ILE 112 CO 0.00 0.36 -0.15 0.71 -0.69 0.00 0.00 178.15 178.38 1ddu h THR 113 N -1.00 0.67 -0.16 -0.27 1.35 -1.90 -2.21 112.91 109.39 1ddu h THR 113 Ca -0.26 -0.64 -0.02 0.00 -0.55 0.00 0.00 66.41 64.93 1ddu h THR 113 Cb 1.20 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 1ddu h THR 113 CO -0.16 0.15 0.02 0.74 -0.25 0.00 0.00 175.52 176.02 1ddu h THR 114 N 0.00 1.23 -0.02 6.82 2.02 -1.47 -1.75 112.91 119.74 1ddu h THR 114 Ca -0.00 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 1ddu h THR 114 Cb 0.39 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1ddu h THR 114 CO 0.02 0.22 -0.04 0.58 0.37 0.00 0.00 175.52 176.67 1ddu h VAL 115 N 0.04 1.04 0.01 3.16 2.07 -1.33 -1.62 116.25 119.62 1ddu h VAL 115 Ca 0.05 -0.19 -0.19 0.00 0.82 0.00 0.00 66.70 67.19 1ddu h VAL 115 Cb 0.32 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1ddu h VAL 115 CO 0.00 0.06 -0.88 -0.07 0.02 0.00 0.00 177.57 176.70 1ddu h LEU 116 N 0.03 0.10 -0.59 2.57 3.38 -1.20 -1.01 115.31 118.58 1ddu h LEU 116 Ca 0.01 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1ddu h LEU 116 Cb 0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1ddu h LEU 116 CO 0.01 0.93 -0.63 0.78 0.09 0.00 0.00 178.44 179.62 1ddu h ASN 117 N 0.04 0.00 -0.08 -0.43 -0.26 -0.80 -2.43 115.58 111.61 1ddu h ASN 117 Ca -0.03 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.67 1ddu h ASN 117 Cb 1.53 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.79 1ddu h ASN 117 CO 0.12 0.63 -0.13 1.56 -1.06 0.00 0.00 177.43 178.55 1ddu h GLN 118 N 0.00 0.24 -0.77 0.81 4.20 -1.26 -0.59 115.11 117.74 1ddu h GLN 118 Ca -0.01 -0.14 0.02 0.00 0.06 0.00 0.00 58.65 58.59 1ddu h GLN 118 Cb 1.20 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.96 1ddu h GLN 118 CO 0.08 0.71 0.51 -0.07 -0.67 0.00 0.00 178.83 179.39 1ddu h LEU 119 N -0.22 0.84 0.07 1.46 3.38 -1.20 0.12 115.31 119.77 1ddu h LEU 119 Ca 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ddu h LEU 119 Cb 0.69 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1ddu h LEU 119 CO 0.03 0.59 -0.04 0.50 0.09 0.00 0.00 178.44 179.61 1ddu h LYS 120 N 0.98 -0.10 0.00 1.13 1.63 -1.43 -3.34 116.57 115.45 1ddu h LYS 120 Ca 0.30 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 60.01 1ddu h LYS 120 Cb -0.02 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 1ddu h LYS 120 CO -0.08 0.41 -2.06 0.09 -3.45 0.00 0.00 179.45 174.36 1ddu n ASN 121 N -4.88 0.17 -3.08 4.20 3.02 -0.23 -4.73 115.26 109.74 1ddu n ASN 121 Ca -0.08 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.29 1ddu n ASN 121 Cb 0.28 1.71 -0.02 0.00 -0.61 0.00 0.00 39.78 41.14 1ddu n ASN 121 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1ddu n ASP 122 N -2.36 -0.16 0.06 6.41 2.03 0.34 -4.98 116.55 117.89 1ddu n ASP 122 Ca -0.11 -3.06 0.07 0.00 0.52 0.00 0.00 54.79 52.21 1ddu n ASP 122 Cb 0.70 -0.02 0.33 0.00 -0.72 0.00 0.00 41.12 41.42 1ddu n ASP 122 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ddu n PRO 123 N 0.71 0.08 -0.12 -0.67 -0.04 -0.82 -1.89 135.00 132.25 1ddu n PRO 123 Ca 0.20 0.44 0.10 0.00 -0.04 0.00 0.00 63.50 64.20 1ddu n PRO 123 Cb 0.63 -1.68 0.31 0.00 -0.04 0.00 0.00 33.50 32.71 1ddu n PRO 123 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ddu n ASP 124 N -1.83 2.21 -4.76 3.54 9.92 -1.26 -3.85 116.55 120.51 1ddu n ASP 124 Ca 0.01 -1.82 -0.41 0.00 -0.53 0.00 0.00 54.79 52.04 1ddu n ASP 124 Cb 0.11 -0.16 -0.01 0.00 -0.64 0.00 0.00 41.12 40.42 1ddu n ASP 124 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1ddu s SER 125 N -1.48 6.38 0.00 -2.24 0.15 -0.80 -4.94 113.70 110.77 1ddu s SER 125 Ca 0.33 2.97 0.22 0.00 0.70 0.00 0.00 55.95 60.18 1ddu s SER 125 Cb 0.18 -2.65 0.64 0.00 -1.71 0.00 0.00 66.02 62.49 1ddu s SER 125 CO 0.27 -0.89 1.50 0.54 1.20 0.00 0.00 173.24 175.86 1ddu n ARG 126 N 1.60 1.98 -1.08 5.44 1.74 -1.26 -4.24 116.66 120.84 1ddu n ARG 126 Ca 0.06 -1.46 -0.15 0.00 -0.77 0.00 0.00 57.85 55.52 1ddu n ARG 126 Cb 0.38 -1.44 0.17 0.00 -1.02 0.00 0.00 32.46 30.55 1ddu n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ddu n ARG 127 N 0.70 2.16 -2.91 5.56 1.74 -1.26 -4.91 116.66 117.73 1ddu n ARG 127 Ca 0.17 -3.21 -0.44 0.00 -0.77 0.00 0.00 57.85 53.61 1ddu n ARG 127 Cb 0.42 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 1ddu n ARG 127 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ddu n ILE 128 N -1.09 4.73 -4.56 0.55 5.41 -1.26 -4.97 119.36 118.17 1ddu n ILE 128 Ca 0.46 -5.23 -0.32 0.00 1.00 0.00 0.00 62.75 58.67 1ddu n ILE 128 Cb 1.21 -2.33 -0.11 0.00 -0.71 0.00 0.00 39.64 37.69 1ddu n ILE 128 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1ddu s ILE 129 N -0.92 3.26 -0.07 1.39 1.01 -1.26 -1.42 121.20 123.18 1ddu s ILE 129 Ca 0.35 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 60.08 1ddu s ILE 129 Cb 0.01 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 40.10 1ddu s ILE 129 CO 0.02 0.38 -0.14 -0.69 0.00 0.00 0.00 174.94 174.51 1ddu s VAL 130 N -0.96 1.30 -0.07 2.92 1.01 -0.88 -4.90 120.40 118.83 1ddu s VAL 130 Ca 0.16 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1ddu s VAL 130 Cb -0.11 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1ddu s VAL 130 CO 0.06 0.39 -0.15 -0.55 0.00 0.00 0.00 175.10 174.86 1ddu s SER 131 N 0.65 2.06 0.00 3.32 0.15 -1.26 -1.69 113.70 116.94 1ddu s SER 131 Ca -0.14 -0.36 0.23 0.00 0.70 0.00 0.00 55.95 56.38 1ddu s SER 131 Cb -0.16 -0.95 0.18 0.00 -1.71 0.00 0.00 66.02 63.38 1ddu s SER 131 CO 0.04 0.06 1.19 0.00 1.20 0.00 0.00 173.24 175.74 1ddu n ALA 132 N 3.75 3.79 -2.55 5.45 0.00 -0.21 -4.63 120.51 126.12 1ddu n ALA 132 Ca -0.22 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.26 1ddu n ALA 132 Cb 0.52 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1ddu n ALA 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1ddu n TRP 133 N -0.82 4.18 -3.22 0.00 -0.00 -1.12 -4.87 117.44 111.59 1ddu n TRP 133 Ca 0.08 -3.05 -0.43 0.00 -0.00 0.00 0.00 57.50 54.10 1ddu n TRP 133 Cb 0.38 -2.26 -0.08 0.00 -0.00 0.00 0.00 31.31 29.35 1ddu n TRP 133 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1ddu s ASN 134 N 2.62 6.27 0.25 5.87 3.04 -1.26 -4.91 114.94 126.81 1ddu s ASN 134 Ca 0.45 -0.40 -0.04 0.00 0.04 0.00 0.00 52.86 52.91 1ddu s ASN 134 Cb 0.04 -2.27 0.38 0.00 -1.54 0.00 0.00 41.25 37.86 1ddu s ASN 134 CO 0.01 -0.63 1.84 0.58 -3.04 0.00 0.00 177.10 175.86 1ddu h VAL 135 N 5.76 1.00 0.00 -5.21 2.07 -2.02 -2.57 116.25 115.28 1ddu h VAL 135 Ca -0.26 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1ddu h VAL 135 Cb 1.11 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1ddu h VAL 135 CO 0.83 0.17 0.00 1.23 0.02 0.00 0.00 177.57 179.82 1ddu h GLY 136 N 0.95 0.00 -0.00 2.17 0.00 -2.01 -3.14 103.07 101.04 1ddu h GLY 136 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1ddu h GLY 136 CO -0.20 0.00 -0.00 1.18 0.00 0.00 0.00 176.54 177.52 1ddu n GLU 137 N -2.79 2.75 -0.00 4.80 1.02 -0.98 -4.82 120.64 120.62 1ddu n GLU 137 Ca -0.02 -1.54 0.06 0.00 -0.02 0.00 0.00 57.16 55.64 1ddu n GLU 137 Cb 0.11 -1.02 0.45 0.00 -0.02 0.00 0.00 31.44 30.97 1ddu n GLU 137 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ddu h LEU 138 N 0.00 0.43 -0.99 -4.62 4.07 -1.49 -1.95 115.31 110.76 1ddu h LEU 138 Ca 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.91 1ddu h LEU 138 Cb 0.56 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 1ddu h LEU 138 CO 0.00 0.30 -0.21 -2.24 -1.08 0.00 0.00 178.44 175.21 1ddu h ASP 139 N 0.50 0.00 -0.17 -0.43 3.04 -1.88 -1.99 116.42 115.49 1ddu h ASP 139 Ca 0.17 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.96 1ddu h ASP 139 Cb 0.05 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.34 1ddu h ASP 139 CO -0.04 0.21 0.00 0.29 -2.04 0.00 0.00 179.24 177.66 1ddu n LYS 140 N -3.32 1.75 -3.90 4.15 5.02 -0.74 -4.94 118.16 116.19 1ddu n LYS 140 Ca 0.01 -1.13 -0.36 0.00 -2.02 0.00 0.00 58.31 54.81 1ddu n LYS 140 Cb 0.45 -1.40 -0.06 0.00 -0.02 0.00 0.00 35.03 34.01 1ddu n LYS 140 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1ddu s MET 141 N -1.78 3.43 0.16 1.97 -1.94 -0.75 -3.82 119.30 116.57 1ddu s MET 141 Ca 0.32 -0.21 -0.16 0.00 -1.71 0.00 0.00 55.69 53.94 1ddu s MET 141 Cb 0.17 -3.15 0.06 0.00 2.01 0.00 0.00 34.83 33.92 1ddu s MET 141 CO 0.26 0.74 1.78 0.00 -0.01 0.00 0.00 175.02 177.79 1ddu h ALA 142 N 4.52 0.49 -2.99 3.03 0.00 -1.49 -3.43 119.26 119.39 1ddu h ALA 142 Ca -0.53 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.17 1ddu h ALA 142 Cb 1.21 -0.07 -0.20 0.00 0.00 0.00 0.00 17.79 18.73 1ddu h ALA 142 CO 0.62 -0.16 -0.72 -1.17 0.00 0.00 0.00 179.25 177.83 1ddu s LEU 143 N -10.25 2.28 0.29 0.00 2.96 -1.26 -5.05 118.68 107.65 1ddu s LEU 143 Ca -0.13 -0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 52.91 1ddu s LEU 143 Cb 0.12 -0.04 -0.09 0.00 0.50 0.00 0.00 46.19 46.67 1ddu s LEU 143 CO 0.72 -0.28 1.04 0.00 -1.32 0.00 0.00 176.35 176.52 1ddu s ALA 144 N -1.67 3.34 -0.19 5.97 0.00 -1.26 -4.95 121.76 122.99 1ddu s ALA 144 Ca -0.10 0.78 -0.37 0.00 0.00 0.00 0.00 51.96 52.28 1ddu s ALA 144 Cb -0.08 -3.28 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 1ddu s ALA 144 CO -0.01 -0.05 1.86 -2.30 0.00 0.00 0.00 175.76 175.26 1ddu n PRO 145 N 1.09 1.69 0.02 0.00 -0.02 -1.26 -4.92 135.00 131.60 1ddu n PRO 145 Ca -0.00 0.61 -0.19 0.00 -2.02 0.00 0.00 63.50 61.89 1ddu n PRO 145 Cb 0.46 -2.43 -0.14 0.00 -0.02 0.00 0.00 33.50 31.37 1ddu n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ddu s HIS 147 N -2.39 3.59 -0.07 0.00 0.00 -1.26 -0.97 115.29 114.18 1ddu s HIS 147 Ca -0.16 -1.89 0.13 0.00 -3.00 0.00 0.00 55.06 50.15 1ddu s HIS 147 Cb 0.01 -4.01 -0.06 0.00 -4.00 0.00 0.00 32.58 24.52 1ddu s HIS 147 CO 0.79 -1.18 1.26 0.00 -1.00 0.00 0.00 174.74 174.61 1ddu h ALA 148 N 7.95 0.59 -1.89 -1.38 0.00 -1.54 -3.44 119.26 119.55 1ddu h ALA 148 Ca 0.15 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1ddu h ALA 148 Cb 1.00 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.56 1ddu h ALA 148 CO 0.93 0.89 0.19 0.12 0.00 0.00 0.00 179.25 181.39 1ddu s PHE 149 N -2.87 -0.76 0.02 0.00 2.19 -1.18 -1.04 117.98 114.34 1ddu s PHE 149 Ca 0.02 1.76 -0.14 0.00 0.33 0.00 0.00 56.93 58.90 1ddu s PHE 149 Cb 0.08 0.35 0.02 0.00 -1.31 0.00 0.00 43.02 42.17 1ddu s PHE 149 CO 0.78 -0.37 0.30 -0.59 1.83 0.00 0.00 175.22 177.17 1ddu s PHE 150 N 0.61 -0.12 -0.02 10.12 -0.71 -0.68 -0.70 117.98 126.47 1ddu s PHE 150 Ca -0.01 0.05 0.01 0.00 -1.04 0.00 0.00 56.93 55.93 1ddu s PHE 150 Cb -0.05 0.09 0.02 0.00 -1.21 0.00 0.00 43.02 41.87 1ddu s PHE 150 CO -0.05 -0.46 -0.01 -1.14 -1.34 0.00 0.00 175.22 172.22 1ddu s GLN 151 N -2.15 0.30 0.32 1.99 0.74 -0.31 -2.06 119.66 118.49 1ddu s GLN 151 Ca -0.08 0.01 0.02 0.00 0.05 0.00 0.00 55.36 55.36 1ddu s GLN 151 Cb -0.02 -0.41 -0.03 0.00 1.10 0.00 0.00 33.01 33.64 1ddu s GLN 151 CO -0.01 -0.07 0.50 -0.06 -0.55 0.00 0.00 175.29 175.11 1ddu s PHE 152 N 0.66 3.48 -0.08 1.67 0.08 -0.51 -1.28 117.98 122.01 1ddu s PHE 152 Ca -0.07 0.25 -0.20 0.00 0.12 0.00 0.00 56.93 57.04 1ddu s PHE 152 Cb -0.10 -1.82 0.04 0.00 -0.57 0.00 0.00 43.02 40.57 1ddu s PHE 152 CO -0.01 0.19 0.47 -0.47 -0.10 0.00 0.00 175.22 175.30 1ddu s TYR 153 N -2.24 -0.43 -0.04 0.36 5.04 0.12 -4.61 117.35 115.56 1ddu s TYR 153 Ca 0.39 0.85 0.05 0.00 -2.44 0.00 0.00 57.07 55.92 1ddu s TYR 153 Cb -0.09 0.21 -0.01 0.00 0.35 0.00 0.00 41.96 42.42 1ddu s TYR 153 CO 0.34 -0.40 -0.20 0.08 -1.34 0.00 0.00 175.55 174.04 1ddu s VAL 154 N -0.74 1.61 0.00 3.14 1.01 -1.25 -0.55 120.40 123.61 1ddu s VAL 154 Ca -0.08 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1ddu s VAL 154 Cb -0.03 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1ddu s VAL 154 CO 0.04 0.46 0.00 0.00 0.00 0.00 0.00 175.10 175.60 1ddu n ALA 155 N 2.98 1.66 -3.08 5.51 0.00 -1.09 -4.87 120.51 121.62 1ddu n ALA 155 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.92 1ddu n ALA 155 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 1ddu n ALA 155 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ddu n ASP 156 N -0.66 5.33 -2.95 0.00 8.00 -1.26 -4.71 116.55 120.29 1ddu n ASP 156 Ca 0.00 -3.52 -0.20 0.00 0.71 0.00 0.00 54.79 51.77 1ddu n ASP 156 Cb 0.00 -0.92 0.05 0.00 -0.02 0.00 0.00 41.12 40.23 1ddu n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ddu n GLY 157 N 0.65 -0.37 2.91 0.44 0.00 -1.26 -4.99 105.19 102.56 1ddu n GLY 157 Ca 0.32 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 1ddu n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddu s LYS 158 N -5.87 0.05 -0.27 1.61 1.02 -1.26 -1.52 119.74 113.50 1ddu s LYS 158 Ca 0.40 -0.01 -0.11 0.00 0.02 0.00 0.00 55.97 56.27 1ddu s LYS 158 Cb -0.17 0.02 -0.05 0.00 -0.52 0.00 0.00 37.83 37.11 1ddu s LYS 158 CO 0.49 -0.01 0.18 -1.17 -0.92 0.00 0.00 175.35 173.92 1ddu s LEU 159 N -0.09 3.97 0.20 3.17 2.96 0.38 -2.65 118.68 126.62 1ddu s LEU 159 Ca -0.01 -0.02 0.09 0.00 -0.22 0.00 0.00 54.13 53.97 1ddu s LEU 159 Cb -0.01 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1ddu s LEU 159 CO -0.00 -0.04 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.47 1ddu s SER 160 N 1.71 4.29 -0.08 3.68 0.01 0.29 -0.57 113.70 123.02 1ddu s SER 160 Ca 0.07 -0.60 -0.06 0.00 1.31 0.00 0.00 55.95 56.67 1ddu s SER 160 Cb -0.16 -0.73 0.03 0.00 0.21 0.00 0.00 66.02 65.37 1ddu s SER 160 CO 0.10 0.08 0.20 0.00 0.41 0.00 0.00 173.24 174.03 1ddu s GLN 162 N 0.57 3.21 0.06 0.00 0.74 -0.40 0.18 119.66 124.02 1ddu s GLN 162 Ca -0.04 -0.72 0.00 0.00 0.05 0.00 0.00 55.36 54.65 1ddu s GLN 162 Cb -0.05 -2.76 -0.04 0.00 1.10 0.00 0.00 33.01 31.25 1ddu s GLN 162 CO -0.03 -0.14 0.20 -1.17 -0.55 0.00 0.00 175.29 173.60 1ddu s LEU 163 N 1.23 4.32 -0.20 3.68 2.96 -0.33 -1.16 118.68 129.17 1ddu s LEU 163 Ca 0.02 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 1ddu s LEU 163 Cb -0.14 -2.90 0.03 0.00 0.50 0.00 0.00 46.19 43.68 1ddu s LEU 163 CO -0.06 0.18 -0.18 -0.47 -1.32 0.00 0.00 176.35 174.51 1ddu s TYR 164 N -1.49 2.89 -0.28 5.38 6.14 0.12 -1.00 117.35 129.12 1ddu s TYR 164 Ca 0.34 -1.81 -0.06 0.00 0.64 0.00 0.00 57.07 56.18 1ddu s TYR 164 Cb -0.13 -1.92 0.01 0.00 0.42 0.00 0.00 41.96 40.34 1ddu s TYR 164 CO 0.27 -0.83 0.04 -1.14 0.64 0.00 0.00 175.55 174.54 1ddu s GLN 165 N 1.25 3.11 0.46 4.97 0.74 -0.14 -1.78 119.66 128.27 1ddu s GLN 165 Ca 0.01 -0.83 0.28 0.00 0.05 0.00 0.00 55.36 54.88 1ddu s GLN 165 Cb -0.15 -3.27 0.92 0.00 1.10 0.00 0.00 33.01 31.62 1ddu s GLN 165 CO -0.11 -0.39 1.81 0.07 -0.55 0.00 0.00 175.29 176.12 1ddu h ARG 166 N 8.18 0.00 -2.76 1.67 0.11 -1.35 0.10 114.38 120.34 1ddu h ARG 166 Ca -0.33 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.61 1ddu h ARG 166 Cb 1.13 0.00 -0.27 0.00 1.11 0.00 0.00 29.97 31.94 1ddu h ARG 166 CO 0.60 0.00 -0.35 0.45 0.10 0.00 0.00 179.97 180.76 1ddu s SER 167 N -5.64 -0.44 -0.11 0.08 0.15 -1.26 -1.51 113.70 104.97 1ddu s SER 167 Ca 0.04 0.78 -0.01 0.00 0.70 0.00 0.00 55.95 57.46 1ddu s SER 167 Cb 0.08 0.67 0.03 0.00 -1.71 0.00 0.00 66.02 65.09 1ddu s SER 167 CO 0.58 -0.18 -0.00 0.00 1.20 0.00 0.00 173.24 174.83 1ddu s ASP 169 N 1.90 6.27 0.45 0.00 -1.08 -1.26 -1.80 116.67 121.14 1ddu s ASP 169 Ca 0.04 -0.84 0.18 0.00 -0.52 0.00 0.00 52.55 51.40 1ddu s ASP 169 Cb -0.13 -2.54 1.13 0.00 -1.46 0.00 0.00 42.92 39.92 1ddu s ASP 169 CO -0.06 -1.67 1.92 0.58 0.52 0.00 0.00 175.17 176.46 1ddu h VAL 170 N 6.20 0.75 0.05 1.11 2.07 -1.62 0.14 116.25 124.95 1ddu h VAL 170 Ca -0.14 -0.11 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 1ddu h VAL 170 Cb 1.04 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1ddu h VAL 170 CO 1.30 0.06 -0.66 0.15 0.02 0.00 0.00 177.57 178.44 1ddu h PHE 171 N 0.33 0.19 0.03 1.57 3.57 -1.91 -3.38 116.94 117.34 1ddu h PHE 171 Ca 0.37 -0.14 -0.38 0.00 3.53 0.00 0.00 57.97 61.36 1ddu h PHE 171 Cb 0.98 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 1ddu h PHE 171 CO -0.00 1.26 -2.31 -0.11 -2.23 0.00 0.00 178.31 174.91 1ddu n LEU 172 N -4.36 2.54 -0.00 0.59 7.94 -1.13 -4.69 117.00 117.89 1ddu n LEU 172 Ca -0.18 -0.01 -0.20 0.00 -1.11 0.00 0.00 56.01 54.52 1ddu n LEU 172 Cb 0.66 -0.80 -0.14 0.00 0.53 0.00 0.00 43.42 43.68 1ddu n LEU 172 CO 0.35 0.86 -0.79 0.61 -1.11 0.00 0.00 177.39 177.31 1ddu n GLY 173 N 2.11 -0.61 0.08 -3.96 0.00 0.44 -4.56 105.19 98.70 1ddu n GLY 173 Ca -0.40 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 1ddu n GLY 173 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ddu h LEU 174 N 0.06 0.12 -0.81 0.99 5.85 -1.64 -1.96 115.31 117.91 1ddu h LEU 174 Ca -0.41 -0.10 0.32 0.00 0.84 0.00 0.00 57.88 58.52 1ddu h LEU 174 Cb 2.03 -0.03 -0.15 0.00 0.37 0.00 0.00 40.66 42.88 1ddu h LEU 174 CO 0.08 0.19 0.36 -2.65 -0.34 0.00 0.00 178.44 176.08 1ddu n PRO 175 N -4.97 -0.05 0.08 5.25 -0.02 -1.26 -1.95 135.00 132.08 1ddu n PRO 175 Ca -0.06 1.13 -0.11 0.00 -2.02 0.00 0.00 63.50 62.45 1ddu n PRO 175 Cb 0.08 -1.99 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 1ddu n PRO 175 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1ddu h PHE 176 N 0.00 -0.26 0.00 6.00 3.57 -1.64 -3.13 116.94 121.49 1ddu h PHE 176 Ca 0.65 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 62.11 1ddu h PHE 176 Cb 1.68 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.50 1ddu h PHE 176 CO -0.08 0.14 -0.19 -0.91 -2.23 0.00 0.00 178.31 175.04 1ddu h ASN 177 N -0.86 0.00 0.24 0.41 -0.26 -1.02 -1.76 115.58 112.33 1ddu h ASN 177 Ca -0.03 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.37 1ddu h ASN 177 Cb 0.51 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.79 1ddu h ASN 177 CO 0.05 0.19 -1.65 0.16 -1.06 0.00 0.00 177.43 175.11 1ddu h ILE 178 N 0.00 1.06 0.00 2.81 3.07 -1.52 -2.98 117.51 119.95 1ddu h ILE 178 Ca -0.00 -2.60 -0.02 0.00 1.55 0.00 0.00 64.86 63.79 1ddu h ILE 178 Cb 0.37 2.84 -0.00 0.00 -0.27 0.00 0.00 36.82 39.76 1ddu h ILE 178 CO 0.02 0.84 -0.10 0.00 -1.05 0.00 0.00 178.15 177.87 1ddu h ALA 179 N 0.17 1.30 -0.09 0.16 0.00 -1.47 -1.93 119.26 117.39 1ddu h ALA 179 Ca -0.31 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1ddu h ALA 179 Cb 2.11 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 1ddu h ALA 179 CO 0.21 0.12 -0.09 1.03 0.00 0.00 0.00 179.25 180.52 1ddu h SER 180 N 0.00 0.23 -0.25 0.00 0.87 -1.36 -2.59 113.55 110.45 1ddu h SER 180 Ca -0.00 -0.48 -0.18 0.00 -1.23 0.00 0.00 61.79 59.90 1ddu h SER 180 Cb 0.28 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1ddu h SER 180 CO 0.01 0.66 -0.51 1.88 -0.53 0.00 0.00 176.83 178.34 1ddu h TYR 181 N -0.20 1.04 -0.48 2.24 0.05 -1.44 -1.28 116.97 116.91 1ddu h TYR 181 Ca 0.01 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 58.44 1ddu h TYR 181 Cb 0.60 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 1ddu h TYR 181 CO 0.09 1.17 0.31 0.00 -1.05 0.00 0.00 178.16 178.68 1ddu h ALA 182 N 0.76 1.64 -0.08 3.88 0.00 -1.42 -0.85 119.26 123.19 1ddu h ALA 182 Ca 0.02 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1ddu h ALA 182 Cb 1.11 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ddu h ALA 182 CO 0.11 0.33 -0.75 1.25 0.00 0.00 0.00 179.25 180.19 1ddu h LEU 183 N 0.65 0.52 -0.62 0.00 5.85 -1.27 -2.41 115.31 118.03 1ddu h LEU 183 Ca 0.18 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 1ddu h LEU 183 Cb -0.06 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1ddu h LEU 183 CO -0.04 1.09 0.19 0.25 -0.34 0.00 0.00 178.44 179.60 1ddu h LEU 184 N 0.29 0.91 -1.57 2.25 5.85 -0.52 -2.51 115.31 120.01 1ddu h LEU 184 Ca -0.04 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 1ddu h LEU 184 Cb 1.34 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1ddu h LEU 184 CO 0.13 0.88 -0.19 0.58 -0.34 0.00 0.00 178.44 179.50 1ddu h VAL 185 N 0.89 1.15 0.00 1.05 2.07 -1.11 -0.70 116.25 119.61 1ddu h VAL 185 Ca 0.20 -0.71 -0.13 0.00 0.82 0.00 0.00 66.70 66.88 1ddu h VAL 185 Cb 0.30 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1ddu h VAL 185 CO -0.01 0.21 -0.62 0.45 0.02 0.00 0.00 177.57 177.62 1ddu h HIS 186 N 0.03 0.00 -0.04 1.57 3.86 -1.20 -2.30 115.15 117.07 1ddu h HIS 186 Ca 0.01 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.05 1ddu h HIS 186 Cb 0.36 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.84 1ddu h HIS 186 CO 0.00 0.62 -0.61 0.52 0.86 0.00 0.00 177.93 179.31 1ddu h MET 187 N 0.00 0.49 -0.33 2.45 2.07 -0.94 -0.05 114.93 118.62 1ddu h MET 187 Ca -0.01 -0.47 -0.06 0.00 -2.07 0.00 0.00 59.70 57.10 1ddu h MET 187 Cb 1.29 0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 31.13 1ddu h MET 187 CO 0.08 1.11 -0.01 0.52 1.07 0.00 0.00 176.91 179.68 1ddu h MET 188 N 0.04 0.59 -0.40 1.72 2.86 -1.20 -2.08 114.93 116.46 1ddu h MET 188 Ca -0.07 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1ddu h MET 188 Cb 1.29 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.88 1ddu h MET 188 CO 0.12 0.72 0.18 0.00 1.06 0.00 0.00 176.91 178.99 1ddu h ALA 189 N 0.85 1.57 -0.34 6.32 0.00 -1.47 -0.18 119.26 126.01 1ddu h ALA 189 Ca 0.09 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1ddu h ALA 189 Cb 0.46 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ddu h ALA 189 CO 0.02 0.34 -0.42 0.37 0.00 0.00 0.00 179.25 179.56 1ddu h GLN 190 N 0.55 0.88 -0.02 0.00 4.15 -0.54 -1.34 115.11 118.79 1ddu h GLN 190 Ca 0.14 -0.50 -0.10 0.00 0.77 0.00 0.00 58.65 58.96 1ddu h GLN 190 Cb 0.08 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1ddu h GLN 190 CO -0.02 1.14 -0.45 1.96 -1.93 0.00 0.00 178.83 179.53 1ddu h GLN 191 N 0.68 0.06 -0.68 1.69 1.08 -1.19 -3.11 115.11 113.63 1ddu h GLN 191 Ca 0.04 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1ddu h GLN 191 Cb 1.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 1ddu h GLN 191 CO 0.10 0.50 0.00 0.00 -0.95 0.00 0.00 178.83 178.48 1ddu n ASP 193 N 1.38 -3.56 -4.60 0.00 8.00 -0.97 -4.96 116.55 111.84 1ddu n ASP 193 Ca 0.24 -0.90 -0.24 0.00 0.71 0.00 0.00 54.79 54.61 1ddu n ASP 193 Cb 0.72 -3.35 -0.08 0.00 -0.02 0.00 0.00 41.12 38.38 1ddu n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ddu s LEU 194 N -7.22 3.05 0.75 0.64 1.43 -0.54 -5.06 118.68 111.73 1ddu s LEU 194 Ca 0.59 -0.69 -0.08 0.00 -1.03 0.00 0.00 54.13 52.93 1ddu s LEU 194 Cb -0.31 -1.61 0.09 0.00 0.03 0.00 0.00 46.19 44.40 1ddu s LEU 194 CO 0.88 0.03 1.07 -1.61 0.23 0.00 0.00 176.35 176.95 1ddu s GLU 195 N -3.45 1.87 -0.21 1.70 0.41 -0.58 -4.44 118.70 114.01 1ddu s GLU 195 Ca 0.30 -0.36 -0.15 0.00 -0.41 0.00 0.00 54.97 54.35 1ddu s GLU 195 Cb -0.07 -2.12 -0.04 0.00 -1.78 0.00 0.00 34.13 30.12 1ddu s GLU 195 CO 0.18 -1.47 0.35 0.14 -0.49 0.00 0.00 175.26 173.97 1ddu s VAL 196 N -3.36 5.23 0.00 2.63 -7.23 -1.26 -0.47 120.40 115.95 1ddu s VAL 196 Ca 0.63 0.61 0.00 0.00 -1.81 0.00 0.00 61.98 61.41 1ddu s VAL 196 Cb -0.09 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.17 1ddu s VAL 196 CO 0.46 0.27 0.00 0.61 -0.31 0.00 0.00 175.10 176.14 1ddu n GLY 197 N 3.96 0.75 3.68 2.32 0.00 0.26 -4.41 105.19 111.75 1ddu n GLY 197 Ca -0.10 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 1ddu n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ddu s ASP 198 N -1.00 4.81 -0.45 1.61 1.01 -1.25 -2.15 116.67 119.25 1ddu s ASP 198 Ca 0.00 -0.41 -0.12 0.00 0.71 0.00 0.00 52.55 52.73 1ddu s ASP 198 Cb 0.00 -1.03 0.08 0.00 1.01 0.00 0.00 42.92 42.98 1ddu s ASP 198 CO 0.00 0.07 0.33 0.12 0.21 0.00 0.00 175.17 175.90 1ddu s PHE 199 N -1.84 3.31 -0.33 4.23 5.36 -0.13 -1.08 117.98 127.51 1ddu s PHE 199 Ca 0.28 -1.34 -0.23 0.00 -0.96 0.00 0.00 56.93 54.68 1ddu s PHE 199 Cb -0.09 -3.15 0.00 0.00 -0.34 0.00 0.00 43.02 39.44 1ddu s PHE 199 CO 0.19 -0.86 0.76 0.08 -1.46 0.00 0.00 175.22 173.93 1ddu s VAL 200 N 1.50 4.80 -0.22 3.12 1.01 0.13 -1.46 120.40 129.28 1ddu s VAL 200 Ca 0.04 1.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.91 1ddu s VAL 200 Cb -0.24 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 1ddu s VAL 200 CO 0.03 -0.30 0.19 0.86 0.00 0.00 0.00 175.10 175.89 1ddu s TRP 201 N 2.94 3.35 -0.14 5.22 -0.00 -0.15 -1.19 118.94 128.97 1ddu s TRP 201 Ca 0.31 0.32 0.01 0.00 -0.00 0.00 0.00 56.10 56.73 1ddu s TRP 201 Cb -0.14 -2.28 -0.00 0.00 -0.00 0.00 0.00 33.47 31.05 1ddu s TRP 201 CO 0.14 0.12 -0.17 0.99 -0.00 0.00 0.00 176.95 178.02 1ddu s THR 202 N 0.90 2.53 0.02 5.86 2.01 -0.17 -2.20 115.64 124.59 1ddu s THR 202 Ca 0.09 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.30 1ddu s THR 202 Cb -0.13 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1ddu s THR 202 CO 0.03 0.53 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.62 1ddu s GLY 203 N 0.69 1.82 0.00 4.40 0.00 0.12 -0.96 107.32 113.38 1ddu s GLY 203 Ca -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1ddu s GLY 203 CO 0.02 -0.92 0.00 0.61 0.00 0.00 0.00 173.10 172.81 1ddu n GLY 204 N 1.30 0.96 3.52 0.20 0.00 0.36 -2.67 105.19 108.86 1ddu n GLY 204 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1ddu n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ddu s ASP 205 N -1.00 6.26 -0.30 1.61 -1.08 -0.57 -1.47 116.67 120.12 1ddu s ASP 205 Ca 0.00 -0.48 -0.08 0.00 -0.52 0.00 0.00 52.55 51.46 1ddu s ASP 205 Cb 0.00 -2.49 -0.00 0.00 -1.46 0.00 0.00 42.92 38.97 1ddu s ASP 205 CO 0.00 -1.51 0.12 -0.89 0.52 0.00 0.00 175.17 173.41 1ddu s THR 206 N 4.67 4.36 0.16 1.71 2.01 -0.77 -1.33 115.64 126.45 1ddu s THR 206 Ca 0.31 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 61.81 1ddu s THR 206 Cb -0.12 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 1ddu s THR 206 CO 0.16 0.11 0.14 -1.38 -0.69 0.00 0.00 174.62 172.96 1ddu s HIS 207 N 1.58 0.86 -0.11 4.92 -3.43 -0.74 -1.73 115.29 116.64 1ddu s HIS 207 Ca 0.04 -1.19 0.01 0.00 -0.80 0.00 0.00 55.06 53.12 1ddu s HIS 207 Cb -0.17 -0.41 0.02 0.00 -1.43 0.00 0.00 32.58 30.59 1ddu s HIS 207 CO 0.05 -0.61 -0.11 -1.17 -2.00 0.00 0.00 174.74 170.90 1ddu s LEU 208 N -3.07 1.43 0.50 5.38 2.96 -0.57 -1.36 118.68 123.96 1ddu s LEU 208 Ca 0.28 -0.35 -0.21 0.00 -0.22 0.00 0.00 54.13 53.63 1ddu s LEU 208 Cb 0.06 -0.93 -0.07 0.00 0.50 0.00 0.00 46.19 45.76 1ddu s LEU 208 CO 0.05 -0.06 1.11 -0.31 -1.32 0.00 0.00 176.35 175.82 1ddu s TYR 209 N 1.36 2.83 0.32 5.38 1.51 -1.26 -0.66 117.35 126.82 1ddu s TYR 209 Ca -0.01 1.56 0.10 0.00 -1.01 0.00 0.00 57.07 57.71 1ddu s TYR 209 Cb -0.14 -3.24 0.89 0.00 -0.11 0.00 0.00 41.96 39.37 1ddu s TYR 209 CO -0.05 -1.30 1.73 0.77 -1.11 0.00 0.00 175.55 175.58 1ddu h SER 210 N 1.53 0.67 -0.36 2.29 0.02 -1.70 -1.08 113.55 114.92 1ddu h SER 210 Ca -0.50 0.13 -0.17 0.00 -0.84 0.00 0.00 61.79 60.41 1ddu h SER 210 Cb 1.25 0.03 -0.10 0.00 0.14 0.00 0.00 62.40 63.71 1ddu h SER 210 CO 0.58 0.11 0.22 -0.46 -1.14 0.00 0.00 176.83 176.14 1ddu n ASN 211 N -4.88 3.23 0.00 3.07 6.94 -1.26 -2.84 115.26 119.52 1ddu n ASN 211 Ca 0.27 -2.59 0.00 0.00 -0.02 0.00 0.00 54.58 52.24 1ddu n ASN 211 Cb 0.75 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 1ddu n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1ddu n HIS 212 N -0.08 0.00 -0.06 -2.53 8.25 -0.41 -4.61 115.22 115.79 1ddu n HIS 212 Ca 0.21 -0.25 -0.13 0.00 -0.26 0.00 0.00 57.72 57.30 1ddu n HIS 212 Cb 0.91 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.93 1ddu n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1ddu h MET 213 N 0.00 0.37 -0.62 -0.41 2.86 -1.60 -1.74 114.93 113.79 1ddu h MET 213 Ca 0.00 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.35 1ddu h MET 213 Cb 0.66 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 1ddu h MET 213 CO 0.00 0.75 0.04 -0.44 1.06 0.00 0.00 176.91 178.33 1ddu h ASP 214 N 0.01 1.04 -0.52 1.22 3.32 -1.92 -2.30 116.42 117.26 1ddu h ASP 214 Ca 0.02 -0.29 0.06 0.00 0.02 0.00 0.00 57.03 56.85 1ddu h ASP 214 Cb 0.69 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 1ddu h ASP 214 CO 0.04 1.07 0.22 1.56 -1.72 0.00 0.00 179.24 180.41 1ddu h GLN 215 N 0.97 0.41 -0.38 3.56 7.50 -1.94 -1.01 115.11 124.23 1ddu h GLN 215 Ca 0.18 -0.02 0.05 0.00 0.50 0.00 0.00 58.65 59.36 1ddu h GLN 215 Cb 0.51 -0.09 -0.04 0.00 0.05 0.00 0.00 27.48 27.90 1ddu h GLN 215 CO 0.02 0.27 0.11 1.15 -1.50 0.00 0.00 178.83 178.89 1ddu h THR 216 N 0.43 0.86 0.00 -0.54 2.02 -1.03 -0.71 112.91 113.93 1ddu h THR 216 Ca 0.25 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 1ddu h THR 216 Cb 0.23 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1ddu h THR 216 CO -0.22 0.05 -0.15 0.45 0.37 0.00 0.00 175.52 176.02 1ddu h HIS 217 N 0.25 0.00 -0.14 3.16 3.86 -1.05 -2.04 115.15 119.19 1ddu h HIS 217 Ca 0.18 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 1ddu h HIS 217 Cb 0.18 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 1ddu h HIS 217 CO -0.16 0.15 -0.11 1.25 0.86 0.00 0.00 177.93 179.91 1ddu h LEU 218 N 0.00 0.35 -0.70 2.43 5.85 -0.71 -3.02 115.31 119.50 1ddu h LEU 218 Ca -0.00 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.20 1ddu h LEU 218 Cb 0.87 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1ddu h LEU 218 CO 0.02 0.73 0.22 -0.61 -0.34 0.00 0.00 178.44 178.46 1ddu h GLN 219 N -0.03 1.08 0.00 1.25 4.15 -1.01 -2.62 115.11 117.93 1ddu h GLN 219 Ca 0.03 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1ddu h GLN 219 Cb 0.62 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1ddu h GLN 219 CO 0.03 0.93 0.00 1.25 -1.93 0.00 0.00 178.83 179.11 1ddu h LEU 220 N 1.02 0.00 -1.00 -2.39 5.85 -1.41 -1.56 115.31 115.82 1ddu h LEU 220 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1ddu h LEU 220 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1ddu h LEU 220 CO -0.01 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 176.55 1ddu n SER 221 N -2.78 1.49 -4.78 1.25 3.41 -0.99 -4.91 113.62 106.32 1ddu n SER 221 Ca -0.01 -1.71 -0.31 0.00 -0.26 0.00 0.00 58.87 56.57 1ddu n SER 221 Cb 0.13 -0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 63.91 1ddu n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ddu s ARG 222 N -1.79 2.96 -0.24 4.33 0.52 -0.59 -5.09 118.95 119.06 1ddu s ARG 222 Ca 0.31 -0.61 -0.20 0.00 -0.52 0.00 0.00 55.73 54.70 1ddu s ARG 222 Cb 0.16 -2.78 -0.02 0.00 0.52 0.00 0.00 34.95 32.83 1ddu s ARG 222 CO 0.24 0.59 0.60 -1.21 0.02 0.00 0.00 175.30 175.55 1ddu s GLU 223 N -2.18 4.13 0.49 3.54 0.41 -1.26 -5.04 118.70 118.79 1ddu s GLU 223 Ca 0.27 0.51 -0.22 0.00 -0.41 0.00 0.00 54.97 55.12 1ddu s GLU 223 Cb -0.12 -3.63 -0.08 0.00 -1.78 0.00 0.00 34.13 28.52 1ddu s GLU 223 CO 0.20 -0.36 1.11 -2.30 -0.49 0.00 0.00 175.26 173.42 1ddu n PRO 224 N 5.51 1.41 -3.38 0.39 -0.02 -1.26 -4.89 135.00 132.76 1ddu n PRO 224 Ca -0.02 0.51 -0.19 0.00 -2.02 0.00 0.00 63.50 61.79 1ddu n PRO 224 Cb 0.49 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 1ddu n PRO 224 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1ddu s ARG 225 N -2.40 2.74 0.17 -0.52 6.06 -1.26 -5.06 118.95 118.68 1ddu s ARG 225 Ca 0.67 -1.34 -0.33 0.00 -2.50 0.00 0.00 55.73 52.23 1ddu s ARG 225 Cb -0.48 -2.58 -0.14 0.00 0.06 0.00 0.00 34.95 31.81 1ddu s ARG 225 CO 0.53 -0.15 1.53 -2.30 -2.50 0.00 0.00 175.30 172.41 1ddu n PRO 226 N -1.65 2.08 -2.14 5.12 -0.02 -1.26 -4.88 135.00 132.26 1ddu n PRO 226 Ca 0.04 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 1ddu n PRO 226 Cb 0.60 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1ddu n PRO 226 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ddu s LEU 227 N 0.71 4.39 1.26 2.45 2.96 -1.26 -4.75 118.68 124.44 1ddu s LEU 227 Ca 0.77 2.43 -0.19 0.00 -0.22 0.00 0.00 54.13 56.92 1ddu s LEU 227 Cb -0.68 -3.60 0.28 0.00 0.50 0.00 0.00 46.19 42.69 1ddu s LEU 227 CO 0.41 -0.64 0.64 -0.81 -1.32 0.00 0.00 176.35 174.62 1ddu n PRO 228 N 3.37 -3.44 -4.53 0.98 -0.04 -1.26 -4.66 135.00 125.42 1ddu n PRO 228 Ca 0.10 -1.01 -0.23 0.00 -0.04 0.00 0.00 63.50 62.31 1ddu n PRO 228 Cb 0.42 -1.80 -0.16 0.00 -0.04 0.00 0.00 33.50 31.92 1ddu n PRO 228 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ddu s LYS 229 N -4.31 1.45 -0.26 0.54 -0.14 0.17 -1.42 119.74 115.77 1ddu s LYS 229 Ca 0.57 -0.38 -0.16 0.00 -1.36 0.00 0.00 55.97 54.64 1ddu s LYS 229 Cb -0.12 -1.25 -0.03 0.00 -1.68 0.00 0.00 37.83 34.75 1ddu s LYS 229 CO 0.52 0.06 0.44 -1.17 -0.76 0.00 0.00 175.35 174.43 1ddu s LEU 230 N 0.52 4.05 -0.12 3.17 0.20 -1.26 -1.00 118.68 124.23 1ddu s LEU 230 Ca -0.11 0.40 -0.01 0.00 0.69 0.00 0.00 54.13 55.10 1ddu s LEU 230 Cb -0.14 -2.53 -0.02 0.00 -0.43 0.00 0.00 46.19 43.06 1ddu s LEU 230 CO 0.02 -0.23 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.15 1ddu s ILE 231 N 2.15 3.57 -0.20 6.68 -1.09 0.24 -5.01 121.20 127.54 1ddu s ILE 231 Ca 0.18 -0.49 -0.01 0.00 -2.23 0.00 0.00 60.65 58.10 1ddu s ILE 231 Cb -0.16 -2.52 0.00 0.00 -1.58 0.00 0.00 42.46 38.21 1ddu s ILE 231 CO 0.09 0.53 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.59 1ddu s ILE 232 N 0.06 2.78 -0.99 2.92 1.01 -1.26 -1.33 121.20 124.40 1ddu s ILE 232 Ca -0.02 -0.70 0.10 0.00 0.00 0.00 0.00 60.65 60.03 1ddu s ILE 232 Cb -0.14 -2.23 0.48 0.00 0.01 0.00 0.00 42.46 40.58 1ddu s ILE 232 CO 0.03 0.48 1.29 0.29 0.00 0.00 0.00 174.94 177.04 1ddu n LYS 233 N 4.64 3.01 -3.58 2.79 5.02 -0.59 -4.92 118.16 124.53 1ddu n LYS 233 Ca -0.19 -1.86 -0.08 0.00 -2.02 0.00 0.00 58.31 54.15 1ddu n LYS 233 Cb 0.51 -1.79 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 1ddu n LYS 233 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1ddu s ARG 234 N -1.88 0.51 -0.64 1.97 3.52 -1.26 -5.06 118.95 116.12 1ddu s ARG 234 Ca 0.33 0.02 0.05 0.00 -0.13 0.00 0.00 55.73 55.99 1ddu s ARG 234 Cb 0.23 0.24 0.16 0.00 -1.56 0.00 0.00 34.95 34.01 1ddu s ARG 234 CO 0.13 -0.18 0.41 0.21 -0.81 0.00 0.00 175.30 175.06 1ddu s LYS 235 N -1.60 2.25 0.76 5.12 2.20 -1.26 -5.11 119.74 122.11 1ddu s LYS 235 Ca 0.02 -3.07 -0.17 0.00 -0.36 0.00 0.00 55.97 52.40 1ddu s LYS 235 Cb -0.01 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.90 1ddu s LYS 235 CO -0.02 -1.23 -0.03 -2.30 -0.36 0.00 0.00 175.35 171.40 1ddu n PRO 236 N 2.37 0.08 0.25 4.03 -0.02 -1.26 -4.88 135.00 135.58 1ddu n PRO 236 Ca 0.15 0.05 0.08 0.00 -2.02 0.00 0.00 63.50 61.76 1ddu n PRO 236 Cb 0.34 -1.38 0.64 0.00 -0.02 0.00 0.00 33.50 33.09 1ddu n PRO 236 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1ddu h GLU 237 N -0.56 0.00 -4.21 -0.52 4.39 -1.99 -3.44 114.58 108.24 1ddu h GLU 237 Ca -0.44 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.11 1ddu h GLU 237 Cb 1.36 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.87 1ddu h GLU 237 CO 0.36 0.06 -0.52 -1.54 -1.16 0.00 0.00 179.01 176.22 1ddu s SER 238 N -6.86 0.20 0.40 1.42 1.04 -1.26 -5.04 113.70 103.60 1ddu s SER 238 Ca -0.05 -1.07 0.28 0.00 0.48 0.00 0.00 55.95 55.59 1ddu s SER 238 Cb 0.16 0.35 1.38 0.00 0.10 0.00 0.00 66.02 68.01 1ddu s SER 238 CO 0.66 -0.79 1.86 -0.29 0.98 0.00 0.00 173.24 175.65 1ddu h ILE 239 N 2.74 0.00 -0.02 -1.02 6.09 -1.94 -2.40 117.51 120.96 1ddu h ILE 239 Ca -0.34 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1ddu h ILE 239 Cb 1.21 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.37 1ddu h ILE 239 CO 0.55 0.00 -0.13 0.49 -3.07 0.00 0.00 178.15 175.99 1ddu n PHE 240 N -2.53 0.00 -0.29 2.19 3.72 -1.26 -4.22 117.46 115.07 1ddu n PHE 240 Ca -0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.51 1ddu n PHE 240 Cb 0.14 -0.03 0.31 0.00 -0.94 0.00 0.00 39.48 38.96 1ddu n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ddu n ASP 241 N 0.23 3.92 -4.80 4.37 8.00 -0.90 -4.95 116.55 122.41 1ddu n ASP 241 Ca 0.15 -2.00 -0.34 0.00 0.71 0.00 0.00 54.79 53.31 1ddu n ASP 241 Cb 0.43 -0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 1ddu n ASP 241 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ddu s TYR 242 N -1.06 3.00 0.19 1.24 1.51 -1.26 -4.88 117.35 116.09 1ddu s TYR 242 Ca 0.48 1.55 0.07 0.00 -1.01 0.00 0.00 57.07 58.17 1ddu s TYR 242 Cb 0.25 -3.05 -0.05 0.00 -0.11 0.00 0.00 41.96 39.01 1ddu s TYR 242 CO 0.33 -0.92 -0.14 1.03 -1.11 0.00 0.00 175.55 174.75 1ddu s ARG 243 N -3.50 1.28 0.11 -0.62 0.52 -1.26 -5.06 118.95 110.41 1ddu s ARG 243 Ca 0.66 -1.55 -0.22 0.00 -0.52 0.00 0.00 55.73 54.10 1ddu s ARG 243 Cb -0.16 -1.04 -0.10 0.00 0.52 0.00 0.00 34.95 34.17 1ddu s ARG 243 CO 0.25 0.17 1.73 0.35 0.02 0.00 0.00 175.30 177.82 1ddu h PHE 244 N 2.65 -0.02 -0.19 -0.53 3.57 -1.97 -2.75 116.94 117.71 1ddu h PHE 244 Ca -0.38 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.18 1ddu h PHE 244 Cb 1.21 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1ddu h PHE 244 CO 0.70 -0.02 0.39 1.05 -2.23 0.00 0.00 178.31 178.21 1ddu h GLU 245 N 0.02 0.00 0.00 1.11 9.09 -2.04 -1.67 114.58 121.10 1ddu h GLU 245 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 1ddu h GLU 245 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 1ddu h GLU 245 CO -0.08 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.73 1ddu n ASP 246 N -3.26 0.00 -4.32 3.06 8.00 -1.04 -4.69 116.55 114.30 1ddu n ASP 246 Ca 0.02 0.10 -0.34 0.00 0.71 0.00 0.00 54.79 55.29 1ddu n ASP 246 Cb 0.50 -0.33 -0.14 0.00 -0.02 0.00 0.00 41.12 41.12 1ddu n ASP 246 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ddu s PHE 247 N -2.66 2.87 -0.05 1.24 0.08 -0.63 -1.54 117.98 117.28 1ddu s PHE 247 Ca 0.17 -0.87 0.06 0.00 0.12 0.00 0.00 56.93 56.42 1ddu s PHE 247 Cb 0.14 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.62 1ddu s PHE 247 CO 0.32 -0.41 -0.25 -2.00 -0.10 0.00 0.00 175.22 172.79 1ddu s GLU 248 N 0.88 2.52 -0.15 0.44 2.56 -0.44 -5.03 118.70 119.48 1ddu s GLU 248 Ca -0.03 -0.90 -0.00 0.00 0.00 0.00 0.00 54.97 54.04 1ddu s GLU 248 Cb -0.15 -2.16 -0.01 0.00 2.00 0.00 0.00 34.13 33.81 1ddu s GLU 248 CO 0.00 0.40 -0.14 -1.50 -0.56 0.00 0.00 175.26 173.46 1ddu s ILE 249 N -0.21 2.81 0.19 -3.70 1.10 -1.26 -0.59 121.20 119.54 1ddu s ILE 249 Ca -0.02 -0.72 0.07 0.00 -0.51 0.00 0.00 60.65 59.47 1ddu s ILE 249 Cb -0.13 -2.19 -0.04 0.00 0.15 0.00 0.00 42.46 40.24 1ddu s ILE 249 CO 0.03 0.51 0.04 -1.61 -2.11 0.00 0.00 174.94 171.80 1ddu s GLU 250 N 0.75 2.52 -1.18 3.50 0.41 -0.17 -4.74 118.70 119.79 1ddu s GLU 250 Ca -0.06 -1.10 -0.02 0.00 -0.41 0.00 0.00 54.97 53.39 1ddu s GLU 250 Cb -0.15 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.80 1ddu s GLU 250 CO 0.01 0.44 0.21 0.41 -0.49 0.00 0.00 175.26 175.85 1ddu n GLY 251 N -0.34 -0.20 3.45 -1.39 0.00 -1.26 -0.65 105.19 104.80 1ddu n GLY 251 Ca -0.09 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1ddu n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ddu s TYR 252 N -2.86 3.21 -0.60 1.61 5.04 -1.26 -4.30 117.35 118.19 1ddu s TYR 252 Ca 0.10 -0.59 0.06 0.00 -2.44 0.00 0.00 57.07 54.21 1ddu s TYR 252 Cb -0.05 -2.81 0.29 0.00 0.35 0.00 0.00 41.96 39.74 1ddu s TYR 252 CO 0.13 -0.68 0.82 -3.47 -1.34 0.00 0.00 175.55 171.01 1ddu n ASP 253 N 5.33 3.81 -4.81 4.32 2.03 -1.26 -5.11 116.55 120.87 1ddu n ASP 253 Ca -0.10 -3.50 -0.31 0.00 0.52 0.00 0.00 54.79 51.40 1ddu n ASP 253 Cb 0.46 -0.62 0.06 0.00 -0.72 0.00 0.00 41.12 40.30 1ddu n ASP 253 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ddu s PRO 254 N -2.83 2.77 0.94 -0.67 0.04 -1.26 -4.94 135.00 129.05 1ddu s PRO 254 Ca 0.43 1.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.36 1ddu s PRO 254 Cb 0.21 -1.97 0.16 0.00 0.04 0.00 0.00 34.50 32.94 1ddu s PRO 254 CO -0.07 -1.24 1.12 -1.01 0.04 0.00 0.00 177.00 175.84 1ddu s HIS 255 N -3.01 2.36 0.69 0.56 3.76 0.18 -4.88 115.29 114.95 1ddu s HIS 255 Ca 0.59 0.92 -0.17 0.00 -0.15 0.00 0.00 55.06 56.25 1ddu s HIS 255 Cb -0.15 -3.33 0.01 0.00 1.11 0.00 0.00 32.58 30.23 1ddu s HIS 255 CO 0.55 -2.57 1.24 -2.14 -0.85 0.00 0.00 174.74 170.97 1ddu s PRO 256 N -5.15 2.37 0.55 8.40 0.02 -1.26 -2.87 135.00 137.07 1ddu s PRO 256 Ca 0.64 1.88 -0.21 0.00 0.02 0.00 0.00 61.00 63.34 1ddu s PRO 256 Cb -0.16 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.45 1ddu s PRO 256 CO 0.55 -1.69 1.12 0.41 -0.33 0.00 0.00 177.00 177.07 1ddu n GLY 257 N 0.60 0.12 3.08 0.52 0.00 -1.26 -3.86 105.19 104.39 1ddu n GLY 257 Ca 0.14 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1ddu n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ddu s ILE 258 N -1.39 2.03 0.30 -0.61 1.01 -1.26 -4.86 121.20 116.41 1ddu s ILE 258 Ca 0.73 -1.21 -0.18 0.00 0.00 0.00 0.00 60.65 59.99 1ddu s ILE 258 Cb -0.44 -1.99 -0.09 0.00 0.01 0.00 0.00 42.46 39.95 1ddu s ILE 258 CO 0.49 0.27 0.76 -0.54 0.00 0.00 0.00 174.94 175.92 1ddu s LYS 259 N 1.24 4.14 -0.27 2.79 -0.14 -1.26 -5.05 119.74 121.19 1ddu s LYS 259 Ca -0.01 0.82 -0.23 0.00 -1.36 0.00 0.00 55.97 55.18 1ddu s LYS 259 Cb -0.16 -2.59 0.08 0.00 -1.68 0.00 0.00 37.83 33.48 1ddu s LYS 259 CO -0.09 0.23 0.77 0.00 -0.76 0.00 0.00 175.35 175.50 1ddu s ALA 260 N -1.82 -1.84 0.54 5.17 0.00 -1.26 -5.02 121.76 117.53 1ddu s ALA 260 Ca 0.51 2.07 -0.21 0.00 0.00 0.00 0.00 51.96 54.32 1ddu s ALA 260 Cb -0.13 -1.28 -0.06 0.00 0.00 0.00 0.00 23.12 21.65 1ddu s ALA 260 CO 0.19 -0.33 1.17 -0.35 0.00 0.00 0.00 175.76 176.44 1ddu n PRO 261 N 2.89 1.40 -3.72 0.00 -0.04 -1.26 -5.02 135.00 129.24 1ddu n PRO 261 Ca -0.15 0.52 -0.36 0.00 -0.04 0.00 0.00 63.50 63.47 1ddu n PRO 261 Cb 0.56 -2.35 -0.07 0.00 -0.04 0.00 0.00 33.50 31.60 1ddu n PRO 261 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ddu s VAL 262 N -1.35 5.40 0.32 0.52 1.01 -1.26 -5.01 120.40 120.03 1ddu s VAL 262 Ca 0.71 0.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.69 1ddu s VAL 262 Cb -0.45 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 1ddu s VAL 262 CO 0.50 0.47 1.00 0.00 0.00 0.00 0.00 175.10 177.08 1ddu s ALA 263 N 0.07 3.25 -2.00 5.51 0.00 -1.26 -5.22 121.76 122.11 1ddu s ALA 263 Ca 0.11 0.67 0.17 0.00 0.00 0.00 0.00 51.96 52.91 1ddu s ALA 263 Cb -0.12 -3.24 1.00 0.00 0.00 0.00 0.00 23.12 20.76 1ddu s ALA 263 CO 0.01 0.01 1.40 0.44 0.00 0.00 0.00 175.76 177.62