#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dna h GLN 3 N 0.00 0.34 0.11 1.64 7.50 -1.99 -1.16 115.11 121.56 1dna h GLN 3 Ca 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.13 1dna h GLN 3 Cb 0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 1dna h GLN 3 CO 0.00 0.23 -0.10 -0.92 -1.50 0.00 0.00 178.83 176.54 1dna h TYR 4 N 0.35 -0.25 -0.59 2.96 3.20 -2.00 -1.96 116.97 118.68 1dna h TYR 4 Ca 0.18 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1dna h TYR 4 Cb 0.13 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1dna h TYR 4 CO -0.13 -0.15 0.32 -0.07 -1.64 0.00 0.00 178.16 176.49 1dna h LEU 5 N -0.23 0.72 -1.04 2.82 3.38 -1.94 -1.61 115.31 117.41 1dna h LEU 5 Ca -0.00 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1dna h LEU 5 Cb 0.21 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1dna h LEU 5 CO -0.02 0.58 0.15 -0.33 0.09 0.00 0.00 178.44 178.92 1dna h GLU 6 N 0.82 0.84 -0.37 1.13 5.08 -0.92 -0.40 114.58 120.77 1dna h GLU 6 Ca 0.21 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1dna h GLU 6 Cb 0.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1dna h GLU 6 CO -0.03 0.74 -0.08 1.25 -1.00 0.00 0.00 179.01 179.88 1dna h LEU 7 N 0.82 0.71 -0.11 1.33 5.85 -0.55 -0.63 115.31 122.73 1dna h LEU 7 Ca 0.18 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.57 1dna h LEU 7 Cb 0.27 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1dna h LEU 7 CO -0.01 0.90 -0.05 0.24 -0.34 0.00 0.00 178.44 179.18 1dna h MET 8 N 0.50 -0.05 -0.84 1.25 2.86 -0.80 0.03 114.93 117.88 1dna h MET 8 Ca 0.09 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1dna h MET 8 Cb 0.59 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 1dna h MET 8 CO 0.04 -0.03 0.55 0.37 1.06 0.00 0.00 176.91 178.90 1dna h GLN 9 N -0.05 1.09 -0.66 1.72 5.75 -0.98 -2.00 115.11 119.98 1dna h GLN 9 Ca 0.06 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1dna h GLN 9 Cb 0.14 -0.25 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 1dna h GLN 9 CO -0.14 0.72 0.42 -0.22 -2.65 0.00 0.00 178.83 176.96 1dna h LYS 10 N 1.12 0.81 -0.54 1.69 3.64 -0.41 -0.43 116.57 122.46 1dna h LYS 10 Ca 0.31 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1dna h LYS 10 Cb -0.10 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.51 1dna h LYS 10 CO -0.08 0.54 0.27 0.28 -2.27 0.00 0.00 179.45 178.19 1dna h VAL 11 N 0.84 1.19 -0.39 2.00 2.07 -0.48 0.24 116.25 121.72 1dna h VAL 11 Ca 0.25 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1dna h VAL 11 Cb -0.03 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1dna h VAL 11 CO -0.08 0.22 0.17 -0.07 0.02 0.00 0.00 177.57 177.83 1dna h LEU 12 N 0.72 0.53 -0.17 2.57 3.38 -0.88 0.36 115.31 121.83 1dna h LEU 12 Ca 0.18 -0.15 -0.21 0.00 0.09 0.00 0.00 57.88 57.80 1dna h LEU 12 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1dna h LEU 12 CO -0.02 0.53 -0.96 0.44 0.09 0.00 0.00 178.44 178.51 1dna h ASP 13 N 0.49 0.23 0.00 -0.43 3.32 -0.89 -3.38 116.42 115.76 1dna h ASP 13 Ca 0.13 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1dna h ASP 13 Cb 0.15 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1dna h ASP 13 CO -0.01 1.06 -0.91 -0.62 -1.72 0.00 0.00 179.24 177.04 1dna n GLU 14 N -3.58 2.18 -1.63 3.56 1.02 0.84 -5.06 120.64 117.97 1dna n GLU 14 Ca -0.04 -0.04 -0.40 0.00 -0.02 0.00 0.00 57.16 56.66 1dna n GLU 14 Cb 0.87 -1.04 0.02 0.00 -0.02 0.00 0.00 31.44 31.27 1dna n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dna n GLY 15 N 1.65 -0.05 3.80 0.62 0.00 0.13 -4.89 105.19 106.44 1dna n GLY 15 Ca -0.00 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1dna n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dna s THR 16 N -1.32 5.13 0.04 2.61 2.01 0.00 -4.65 115.64 119.46 1dna s THR 16 Ca 0.66 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.43 1dna s THR 16 Cb -0.50 -3.23 -0.06 0.00 0.01 0.00 0.00 72.50 68.72 1dna s THR 16 CO 0.54 0.59 1.27 -1.10 -0.69 0.00 0.00 174.62 175.24 1dna s GLN 17 N -0.80 4.37 -0.02 4.92 -0.21 -1.26 -0.17 119.66 126.49 1dna s GLN 17 Ca 0.13 1.84 0.02 0.00 0.02 0.00 0.00 55.36 57.38 1dna s GLN 17 Cb -0.12 -3.41 0.00 0.00 1.00 0.00 0.00 33.01 30.48 1dna s GLN 17 CO 0.03 -0.38 -0.09 0.21 -2.12 0.00 0.00 175.29 172.94 1dna s LYS 18 N 1.52 0.87 -0.01 2.91 2.20 0.88 -4.95 119.74 123.16 1dna s LYS 18 Ca 0.60 -0.29 -0.23 0.00 -0.36 0.00 0.00 55.97 55.69 1dna s LYS 18 Cb -0.30 -0.82 -0.05 0.00 -1.51 0.00 0.00 37.83 35.15 1dna s LYS 18 CO 0.28 0.12 0.70 1.21 -0.36 0.00 0.00 175.35 177.29 1dna s ASN 19 N 0.12 7.07 0.41 1.43 3.84 -1.26 -0.84 114.94 125.71 1dna s ASN 19 Ca -0.02 1.28 0.04 0.00 0.21 0.00 0.00 52.86 54.37 1dna s ASN 19 Cb -0.07 -2.42 -0.05 0.00 -0.55 0.00 0.00 41.25 38.16 1dna s ASN 19 CO 0.00 -0.00 0.04 1.51 -2.79 0.00 0.00 177.10 175.86 1dna s ASP 20 N 0.19 3.32 0.37 -4.21 -4.77 -1.26 -4.97 116.67 105.35 1dna s ASP 20 Ca 0.36 -1.51 0.18 0.00 -3.30 0.00 0.00 52.55 48.28 1dna s ASP 20 Cb -0.19 0.11 1.12 0.00 -1.09 0.00 0.00 42.92 42.87 1dna s ASP 20 CO 0.20 -0.69 1.70 -0.09 0.70 0.00 0.00 175.17 176.98 1dna h ARG 21 N 1.76 0.33 0.00 2.11 2.43 -2.00 0.44 114.38 119.46 1dna h ARG 21 Ca -0.41 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1dna h ARG 21 Cb 1.27 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1dna h ARG 21 CO 0.71 0.22 0.00 0.25 -1.51 0.00 0.00 179.97 179.65 1dna n THR 22 N -4.84 0.11 -1.29 0.20 -2.24 -1.26 -4.90 114.28 100.06 1dna n THR 22 Ca 0.30 0.03 -0.10 0.00 -2.27 0.00 0.00 64.05 62.01 1dna n THR 22 Cb 0.99 -0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 1dna n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dna n GLY 23 N 1.31 1.13 0.12 3.38 0.00 0.16 -4.90 105.19 106.37 1dna n GLY 23 Ca 0.07 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 1dna n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1dna h THR 24 N 0.00 0.80 0.00 2.61 2.02 -1.91 -3.47 112.91 112.96 1dna h THR 24 Ca -0.20 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 64.73 1dna h THR 24 Cb 0.71 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1dna h THR 24 CO 0.30 0.54 0.00 0.61 0.37 0.00 0.00 175.52 177.33 1dna n GLY 25 N 1.65 2.59 3.21 2.16 0.00 -1.26 -4.71 105.19 108.83 1dna n GLY 25 Ca -0.32 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 1dna n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dna s THR 26 N -1.33 0.08 -0.24 2.61 -4.23 -0.02 -1.66 115.64 110.86 1dna s THR 26 Ca 0.00 -0.69 -0.17 0.00 -1.18 0.00 0.00 61.69 59.65 1dna s THR 26 Cb 0.00 -0.79 -0.03 0.00 1.34 0.00 0.00 72.50 73.01 1dna s THR 26 CO 0.00 -0.38 0.45 -0.76 -0.54 0.00 0.00 174.62 173.39 1dna s LEU 27 N -1.81 4.09 0.00 4.79 1.43 -0.02 -0.08 118.68 127.08 1dna s LEU 27 Ca -0.08 0.48 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 1dna s LEU 27 Cb -0.03 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 1dna s LEU 27 CO -0.01 -0.20 -0.14 -0.55 0.23 0.00 0.00 176.35 175.69 1dna s SER 28 N 1.39 1.60 0.17 2.29 0.15 0.76 -1.56 113.70 118.51 1dna s SER 28 Ca 0.20 -0.30 0.07 0.00 0.70 0.00 0.00 55.95 56.61 1dna s SER 28 Cb -0.15 -0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 63.96 1dna s SER 28 CO 0.09 0.13 -0.14 0.27 1.20 0.00 0.00 173.24 174.79 1dna s ILE 29 N -0.47 1.56 -0.12 6.45 -4.36 -0.40 -0.82 121.20 123.05 1dna s ILE 29 Ca 0.04 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1dna s ILE 29 Cb -0.06 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.78 1dna s ILE 29 CO -0.00 -0.57 -0.11 0.12 0.24 0.00 0.00 174.94 174.62 1dna s PHE 30 N -2.80 1.76 0.00 1.37 5.36 -1.26 -1.26 117.98 121.15 1dna s PHE 30 Ca 0.18 -0.90 0.00 0.00 -0.96 0.00 0.00 56.93 55.25 1dna s PHE 30 Cb -0.01 -1.36 0.00 0.00 -0.34 0.00 0.00 43.02 41.31 1dna s PHE 30 CO 0.05 -0.54 0.00 0.41 -1.46 0.00 0.00 175.22 173.68 1dna n GLY 31 N 4.70 -1.10 3.39 13.12 0.00 -0.74 -5.02 105.19 119.54 1dna n GLY 31 Ca -0.16 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 1dna n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1dna s HIS 32 N 0.00 -0.44 -0.07 1.61 5.04 -1.15 -5.00 115.29 115.28 1dna s HIS 32 Ca 0.00 0.70 -0.07 0.00 -1.54 0.00 0.00 55.06 54.15 1dna s HIS 32 Cb 0.00 0.28 0.02 0.00 0.04 0.00 0.00 32.58 32.91 1dna s HIS 32 CO 0.00 -0.53 0.20 -1.14 -2.34 0.00 0.00 174.74 170.93 1dna s GLN 33 N -1.42 0.27 -0.05 2.88 0.74 -1.26 -1.20 119.66 119.62 1dna s GLN 33 Ca -0.11 0.21 -0.07 0.00 0.05 0.00 0.00 55.36 55.45 1dna s GLN 33 Cb -0.02 0.13 0.01 0.00 1.10 0.00 0.00 33.01 34.23 1dna s GLN 33 CO 0.06 -0.04 0.17 0.00 -0.55 0.00 0.00 175.29 174.93 1dna s MET 34 N -0.05 0.28 -0.06 1.67 0.23 0.16 -4.99 119.30 116.54 1dna s MET 34 Ca -0.02 0.08 0.02 0.00 -1.03 0.00 0.00 55.69 54.74 1dna s MET 34 Cb -0.02 0.13 -0.03 0.00 -1.53 0.00 0.00 34.83 33.38 1dna s MET 34 CO 0.00 -0.05 -0.10 0.50 -2.03 0.00 0.00 175.02 173.35 1dna s ARG 35 N -0.30 2.64 -0.24 3.16 3.52 -1.26 -0.39 118.95 126.08 1dna s ARG 35 Ca -0.04 -0.61 0.01 0.00 -0.13 0.00 0.00 55.73 54.96 1dna s ARG 35 Cb -0.03 -2.51 0.06 0.00 -1.56 0.00 0.00 34.95 30.91 1dna s ARG 35 CO 0.01 0.65 -0.06 -0.06 -0.81 0.00 0.00 175.30 175.02 1dna s PHE 36 N -0.80 2.57 -0.43 5.12 0.08 0.41 -4.96 117.98 119.98 1dna s PHE 36 Ca 0.12 -1.87 -0.29 0.00 0.12 0.00 0.00 56.93 55.02 1dna s PHE 36 Cb -0.11 -1.65 0.01 0.00 -0.57 0.00 0.00 43.02 40.71 1dna s PHE 36 CO 0.02 -0.80 1.35 1.21 -0.10 0.00 0.00 175.22 176.90 1dna s ASN 37 N 1.34 6.41 0.32 1.36 3.84 -1.26 -0.59 114.94 126.36 1dna s ASN 37 Ca -0.06 0.75 0.25 0.00 0.21 0.00 0.00 52.86 54.00 1dna s ASN 37 Cb -0.19 -2.54 1.15 0.00 -0.55 0.00 0.00 41.25 39.12 1dna s ASN 37 CO -0.06 -1.39 1.74 -0.07 -2.79 0.00 0.00 177.10 174.54 1dna h LEU 38 N 11.96 0.00 -0.71 3.21 3.38 -1.33 -2.18 115.31 129.64 1dna h LEU 38 Ca -0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 1dna h LEU 38 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1dna h LEU 38 CO 1.09 0.00 -0.46 1.56 0.09 0.00 0.00 178.44 180.73 1dna h GLN 39 N 0.00 0.45 0.00 1.13 1.08 -1.82 -2.94 115.11 113.01 1dna h GLN 39 Ca 0.00 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1dna h GLN 39 Cb 0.22 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1dna h GLN 39 CO 0.00 0.81 0.00 -0.25 -0.95 0.00 0.00 178.83 178.44 1dna n ASP 40 N -4.00 0.19 0.00 1.46 8.00 -0.82 -4.96 116.55 116.43 1dna n ASP 40 Ca -0.02 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1dna n ASP 40 Cb 0.54 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1dna n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dna n GLY 41 N 0.04 3.77 3.65 0.44 0.00 -1.11 -4.79 105.19 107.20 1dna n GLY 41 Ca 0.03 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 1dna n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1dna s PHE 42 N -2.20 2.23 -0.81 1.61 5.36 -0.20 -4.62 117.98 119.35 1dna s PHE 42 Ca 0.00 0.47 -0.19 0.00 -0.96 0.00 0.00 56.93 56.25 1dna s PHE 42 Cb 0.00 -3.82 -0.13 0.00 -0.34 0.00 0.00 43.02 38.73 1dna s PHE 42 CO 0.00 -3.11 1.96 -0.35 -1.46 0.00 0.00 175.22 172.26 1dna n PRO 43 N 7.08 1.63 -3.99 10.12 -0.04 -1.26 -4.09 135.00 144.46 1dna n PRO 43 Ca 0.17 -1.80 -0.35 0.00 -0.04 0.00 0.00 63.50 61.48 1dna n PRO 43 Cb 0.44 -2.85 -0.13 0.00 -0.04 0.00 0.00 33.50 30.92 1dna n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1dna s LEU 44 N 1.02 3.10 0.17 1.53 2.96 -1.26 -4.08 118.68 122.11 1dna s LEU 44 Ca 0.54 -0.29 -0.34 0.00 -0.22 0.00 0.00 54.13 53.82 1dna s LEU 44 Cb 0.14 -1.79 -0.15 0.00 0.50 0.00 0.00 46.19 44.89 1dna s LEU 44 CO 0.09 0.02 1.39 0.52 -1.32 0.00 0.00 176.35 177.04 1dna n VAL 45 N 4.56 0.46 0.33 1.68 0.31 -1.26 -4.83 118.33 119.58 1dna n VAL 45 Ca -0.17 -0.12 0.06 0.00 -0.01 0.00 0.00 64.34 64.10 1dna n VAL 45 Cb 0.51 -1.21 -0.08 0.00 -0.91 0.00 0.00 33.84 32.16 1dna n VAL 45 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1dna n THR 46 N 2.37 0.00 0.40 2.52 -2.24 -1.26 -4.44 114.28 111.62 1dna n THR 46 Ca 0.15 -0.24 0.07 0.00 -2.27 0.00 0.00 64.05 61.76 1dna n THR 46 Cb 0.26 0.68 0.30 0.00 -2.10 0.00 0.00 70.33 69.48 1dna n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1dna n THR 47 N -1.54 1.12 -3.61 4.28 -2.24 -1.26 -0.43 114.28 110.60 1dna n THR 47 Ca 0.00 0.30 -0.16 0.00 -2.27 0.00 0.00 64.05 61.93 1dna n THR 47 Cb 0.24 -1.13 -0.07 0.00 -2.10 0.00 0.00 70.33 67.28 1dna n THR 47 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1dna s LYS 48 N -3.07 0.89 -0.06 -0.78 -2.85 -1.26 -4.53 119.74 108.08 1dna s LYS 48 Ca 0.05 0.38 -0.30 0.00 -1.00 0.00 0.00 55.97 55.10 1dna s LYS 48 Cb 0.08 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.23 1dna s LYS 48 CO 0.24 -0.23 1.36 0.50 0.10 0.00 0.00 175.35 177.33 1dna s ARG 49 N -0.73 4.27 -0.01 1.78 3.52 -0.51 -4.65 118.95 122.62 1dna s ARG 49 Ca -0.08 1.86 -0.02 0.00 -0.13 0.00 0.00 55.73 57.36 1dna s ARG 49 Cb -0.02 -3.68 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 1dna s ARG 49 CO 0.06 -0.62 0.15 0.00 -0.81 0.00 0.00 175.30 174.08 1dna s HIS 51 N -1.28 3.12 0.27 0.00 2.46 -1.26 -4.94 115.29 113.67 1dna s HIS 51 Ca 0.26 -1.29 -0.01 0.00 0.47 0.00 0.00 55.06 54.48 1dna s HIS 51 Cb -0.12 -4.20 0.47 0.00 -0.13 0.00 0.00 32.58 28.59 1dna s HIS 51 CO 0.17 -1.43 1.86 -0.07 -2.47 0.00 0.00 174.74 172.80 1dna h LEU 52 N 10.18 0.98 -0.80 8.88 -0.00 -2.00 -2.98 115.31 129.56 1dna h LEU 52 Ca 0.03 0.03 0.17 0.00 -0.00 0.00 0.00 57.88 58.11 1dna h LEU 52 Cb 1.04 -0.18 -0.11 0.00 -0.00 0.00 0.00 40.66 41.42 1dna h LEU 52 CO 1.07 0.58 0.30 -0.09 -0.00 0.00 0.00 178.44 180.31 1dna h ARG 53 N 1.09 0.38 -0.34 1.13 2.43 -2.00 0.38 114.38 117.45 1dna h ARG 53 Ca 0.46 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.45 1dna h ARG 53 Cb 0.31 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1dna h ARG 53 CO -0.21 0.25 -0.41 0.77 -1.51 0.00 0.00 179.97 178.85 1dna h SER 54 N 0.39 0.92 0.16 -3.80 0.02 -1.92 -2.57 113.55 106.76 1dna h SER 54 Ca 0.46 -0.43 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1dna h SER 54 Cb 0.78 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1dna h SER 54 CO -0.47 1.21 -0.08 0.40 -1.14 0.00 0.00 176.83 176.75 1dna h ILE 55 N 0.69 0.92 0.07 3.27 2.04 -1.23 -2.65 117.51 120.63 1dna h ILE 55 Ca 0.05 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1dna h ILE 55 Cb 0.99 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1dna h ILE 55 CO 0.10 0.09 -0.03 0.40 0.00 0.00 0.00 178.15 178.70 1dna h ILE 56 N -0.40 1.01 -0.51 -0.67 2.04 -1.02 -2.87 117.51 115.09 1dna h ILE 56 Ca -0.02 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1dna h ILE 56 Cb 0.31 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1dna h ILE 56 CO 0.04 0.07 0.23 0.45 0.00 0.00 0.00 178.15 178.93 1dna h HIS 57 N -0.21 0.70 -0.48 1.37 3.86 -1.52 -2.02 115.15 116.86 1dna h HIS 57 Ca -0.01 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.12 1dna h HIS 57 Cb 0.18 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 1dna h HIS 57 CO -0.04 0.53 0.06 1.49 0.86 0.00 0.00 177.93 180.83 1dna h GLU 58 N 0.71 0.80 -0.62 2.45 4.81 -1.44 -0.99 114.58 120.31 1dna h GLU 58 Ca 0.18 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1dna h GLU 58 Cb 0.10 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1dna h GLU 58 CO -0.02 0.82 0.19 1.25 -0.73 0.00 0.00 179.01 180.52 1dna h LEU 59 N 0.67 0.91 -1.02 1.64 5.85 -1.24 -0.30 115.31 121.83 1dna h LEU 59 Ca 0.14 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 1dna h LEU 59 Cb 0.42 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1dna h LEU 59 CO 0.01 0.88 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.78 1dna h LEU 60 N 0.90 0.52 -0.72 2.25 3.38 -1.26 -2.04 115.31 118.34 1dna h LEU 60 Ca 0.20 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1dna h LEU 60 Cb 0.30 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1dna h LEU 60 CO -0.01 0.69 0.18 -0.25 0.09 0.00 0.00 178.44 179.14 1dna h TRP 61 N 0.49 1.20 0.46 1.13 7.01 -0.60 -2.49 115.95 123.15 1dna h TRP 61 Ca 0.09 -0.14 -0.02 0.00 2.11 0.00 0.00 58.89 60.92 1dna h TRP 61 Cb 0.54 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 27.27 1dna h TRP 61 CO 0.02 0.97 -0.22 0.74 -2.79 0.00 0.00 178.44 177.16 1dna h PHE 62 N 1.09 -0.57 0.00 2.65 0.04 -0.54 -2.67 116.94 116.94 1dna h PHE 62 Ca 0.23 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.98 1dna h PHE 62 Cb 0.37 0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1dna h PHE 62 CO 0.03 -0.30 0.06 -0.07 -0.60 0.00 0.00 178.31 177.43 1dna h LEU 63 N -0.72 0.00 -0.14 1.54 3.38 -1.31 0.14 115.31 118.19 1dna h LEU 63 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1dna h LEU 63 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1dna h LEU 63 CO 0.10 0.00 0.00 1.56 0.09 0.00 0.00 178.44 180.19 1dna h GLN 64 N 0.00 0.00 -0.40 1.13 4.20 -1.10 -3.47 115.11 115.48 1dna h GLN 64 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1dna h GLN 64 Cb 0.11 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1dna h GLN 64 CO 0.00 0.00 -0.10 0.41 -0.67 0.00 0.00 178.83 178.47 1dna n GLY 65 N 1.06 0.55 3.84 3.46 0.00 0.49 -5.01 105.19 109.56 1dna n GLY 65 Ca 0.05 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 1dna n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dna s ASP 66 N -2.89 6.87 0.00 1.61 2.15 -1.14 -4.14 116.67 119.14 1dna s ASP 66 Ca 0.00 1.08 0.00 0.00 0.43 0.00 0.00 52.55 54.06 1dna s ASP 66 Cb 0.00 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 1dna s ASP 66 CO 0.00 0.20 0.47 0.35 -0.17 0.00 0.00 175.17 176.02 1dna n THR 67 N 1.26 0.19 -4.10 1.71 -2.24 -1.26 -4.28 114.28 105.55 1dna n THR 67 Ca -0.09 -0.43 -0.35 0.00 -2.27 0.00 0.00 64.05 60.92 1dna n THR 67 Cb 0.52 1.15 -0.09 0.00 -2.10 0.00 0.00 70.33 69.80 1dna n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1dna s ASN 68 N -0.19 5.57 0.00 3.42 3.84 -1.26 -1.82 114.94 124.50 1dna s ASN 68 Ca 0.00 0.13 0.12 0.00 0.21 0.00 0.00 52.86 53.32 1dna s ASN 68 Cb 0.00 -1.85 0.69 0.00 -0.55 0.00 0.00 41.25 39.54 1dna s ASN 68 CO 0.00 0.25 1.22 2.30 -2.79 0.00 0.00 177.10 178.08 1dna n ILE 69 N 3.01 0.00 -0.03 -5.21 -5.35 -0.26 -3.96 119.36 107.56 1dna n ILE 69 Ca -0.18 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.21 1dna n ILE 69 Cb 0.53 -0.42 -0.03 0.00 -1.74 0.00 0.00 39.64 37.98 1dna n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dna h ALA 70 N 2.90 -0.21 -0.52 -1.28 0.00 -1.93 -1.35 119.26 116.87 1dna h ALA 70 Ca 0.00 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1dna h ALA 70 Cb 0.00 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1dna h ALA 70 CO 0.00 -0.71 0.03 -0.92 0.00 0.00 0.00 179.25 177.65 1dna h TYR 71 N -0.30 0.02 -0.61 0.00 3.20 -2.00 -0.70 116.97 116.58 1dna h TYR 71 Ca 0.12 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1dna h TYR 71 Cb 0.49 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 1dna h TYR 71 CO -0.40 -0.09 0.39 -0.07 -1.64 0.00 0.00 178.16 176.34 1dna h LEU 72 N 0.15 0.71 -0.51 2.82 3.38 -1.63 -2.54 115.31 117.70 1dna h LEU 72 Ca 0.27 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 1dna h LEU 72 Cb 0.40 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1dna h LEU 72 CO -0.41 0.53 -0.08 0.45 0.09 0.00 0.00 178.44 179.01 1dna h HIS 73 N 0.83 1.05 -0.21 1.13 3.86 -0.07 0.27 115.15 122.01 1dna h HIS 73 Ca 0.22 -0.21 0.06 0.00 -1.16 0.00 0.00 60.37 59.28 1dna h HIS 73 Cb -0.07 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 1dna h HIS 73 CO 0.00 1.00 0.17 0.93 0.86 0.00 0.00 177.93 180.89 1dna h GLU 74 N 0.81 0.00 -0.46 2.45 5.08 -0.97 -0.06 114.58 121.42 1dna h GLU 74 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1dna h GLU 74 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1dna h GLU 74 CO 0.04 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.14 1dna n ASN 75 N -4.22 4.73 -3.26 1.42 4.13 -0.97 -4.96 115.26 112.13 1dna n ASN 75 Ca 0.02 -2.82 -0.23 0.00 1.68 0.00 0.00 54.58 53.23 1dna n ASN 75 Cb 0.31 -0.59 0.06 0.00 -1.54 0.00 0.00 39.78 38.02 1dna n ASN 75 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1dna n ASN 76 N 0.30 -6.23 -4.47 6.41 3.02 -0.04 -5.00 115.26 109.24 1dna n ASN 76 Ca 0.24 -0.41 -0.35 0.00 -0.03 0.00 0.00 54.58 54.04 1dna n ASN 76 Cb 0.99 -4.96 -0.12 0.00 -0.61 0.00 0.00 39.78 35.08 1dna n ASN 76 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dna s VAL 77 N -3.25 4.11 -0.16 2.41 1.01 0.93 -4.98 120.40 120.46 1dna s VAL 77 Ca 0.44 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1dna s VAL 77 Cb -0.19 -2.86 0.04 0.00 0.00 0.00 0.00 36.38 33.36 1dna s VAL 77 CO 0.54 0.42 0.93 0.35 0.00 0.00 0.00 175.10 177.34 1dna n THR 78 N 4.24 0.77 0.32 3.92 -2.24 -1.26 -3.85 114.28 116.18 1dna n THR 78 Ca -0.17 -0.89 0.16 0.00 -2.27 0.00 0.00 64.05 60.89 1dna n THR 78 Cb 0.52 0.62 0.88 0.00 -2.10 0.00 0.00 70.33 70.25 1dna n THR 78 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1dna h ILE 79 N 0.32 0.00 -0.22 2.28 3.07 -1.97 -2.24 117.51 118.75 1dna h ILE 79 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1dna h ILE 79 Cb 0.43 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 37.70 1dna h ILE 79 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 1dna n TRP 80 N -2.86 0.29 -0.31 0.16 7.02 -1.26 -4.72 117.44 115.76 1dna n TRP 80 Ca -0.02 -0.39 -0.03 0.00 -1.02 0.00 0.00 57.50 56.03 1dna n TRP 80 Cb 0.29 -0.02 0.08 0.00 -2.42 0.00 0.00 31.31 29.24 1dna n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1dna h ASP 81 N 1.66 0.96 0.34 -0.99 5.19 -1.76 -2.73 116.42 119.10 1dna h ASP 81 Ca 0.00 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1dna h ASP 81 Cb 0.62 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1dna h ASP 81 CO 0.00 0.69 0.00 -0.62 -3.12 0.00 0.00 179.24 176.19 1dna n GLU 82 N -4.51 0.14 -0.00 3.56 4.71 -1.26 -3.05 120.64 120.23 1dna n GLU 82 Ca 0.09 0.50 0.02 0.00 -0.01 0.00 0.00 57.16 57.76 1dna n GLU 82 Cb 0.02 -1.84 -0.02 0.00 -1.01 0.00 0.00 31.44 28.58 1dna n GLU 82 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 1dna n TRP 83 N -2.12 0.00 -2.50 -0.32 8.01 -1.05 -5.04 117.44 114.42 1dna n TRP 83 Ca 0.01 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.86 1dna n TRP 83 Cb 0.12 -0.01 -0.03 0.00 -2.01 0.00 0.00 31.31 29.38 1dna n TRP 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1dna s ALA 84 N -1.48 2.91 0.85 6.99 0.00 -1.06 -4.84 121.76 125.14 1dna s ALA 84 Ca 0.01 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.42 1dna s ALA 84 Cb 0.03 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 19.99 1dna s ALA 84 CO 0.17 -0.29 0.32 -0.40 0.00 0.00 0.00 175.76 175.56 1dna n ASP 85 N -1.15 0.12 0.23 0.00 5.75 -0.65 -4.83 116.55 116.02 1dna n ASP 85 Ca 0.08 -1.17 0.18 0.00 -0.01 0.00 0.00 54.79 53.87 1dna n ASP 85 Cb 0.53 -0.24 0.86 0.00 -1.03 0.00 0.00 41.12 41.24 1dna n ASP 85 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1dna h GLU 86 N 0.00 0.00 -0.33 0.11 3.07 -1.97 -0.48 114.58 114.97 1dna h GLU 86 Ca -0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1dna h GLU 86 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1dna h GLU 86 CO 0.08 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.78 1dna n ASN 87 N -3.51 3.03 0.00 1.42 4.13 -1.26 -4.98 115.26 114.09 1dna n ASN 87 Ca 0.01 -1.89 0.00 0.00 1.68 0.00 0.00 54.58 54.39 1dna n ASN 87 Cb 0.36 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 1dna n ASN 87 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dna n GLY 88 N 1.03 1.25 3.82 7.41 0.00 -0.19 -4.91 105.19 113.60 1dna n GLY 88 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1dna n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dna s ASP 89 N -3.13 6.96 0.00 1.61 1.01 -1.26 -1.10 116.67 120.76 1dna s ASP 89 Ca 0.00 1.69 0.06 0.00 0.71 0.00 0.00 52.55 55.01 1dna s ASP 89 Cb 0.00 -2.54 0.10 0.00 1.01 0.00 0.00 42.92 41.49 1dna s ASP 89 CO 0.00 -0.34 0.86 0.18 0.21 0.00 0.00 175.17 176.08 1dna n LEU 90 N -0.57 1.90 0.00 1.23 4.77 -0.76 -1.63 117.00 121.94 1dna n LEU 90 Ca 0.07 -1.37 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 1dna n LEU 90 Cb 0.54 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1dna n LEU 90 CO 0.37 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1dna n GLY 91 N 0.25 -2.77 2.64 -0.72 0.00 -1.26 -1.35 105.19 101.98 1dna n GLY 91 Ca 0.05 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 1dna n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dna n PRO 92 N -0.46 2.25 -1.11 1.61 -0.04 -1.26 -4.84 135.00 131.15 1dna n PRO 92 Ca 0.00 -1.65 -0.15 0.00 -0.04 0.00 0.00 63.50 61.65 1dna n PRO 92 Cb 0.00 -2.59 0.10 0.00 -0.04 0.00 0.00 33.50 30.97 1dna n PRO 92 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1dna n VAL 93 N 4.41 0.00 0.00 0.52 0.24 -1.26 -4.49 118.33 117.74 1dna n VAL 93 Ca 0.50 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1dna n VAL 93 Cb 0.19 -1.66 0.00 0.00 -1.47 0.00 0.00 33.84 30.90 1dna n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1dna n TYR 94 N -2.89 0.00 -0.26 6.34 4.01 -1.26 -0.39 117.16 122.72 1dna n TYR 94 Ca 0.09 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.81 1dna n TYR 94 Cb 0.31 -0.02 0.05 0.00 -0.31 0.00 0.00 39.34 39.37 1dna n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1dna h GLY 95 N 0.00 0.21 0.96 2.72 0.00 -1.77 0.24 103.07 105.43 1dna h GLY 95 Ca 0.00 0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.71 1dna h GLY 95 CO 0.00 -0.25 0.35 1.70 0.00 0.00 0.00 176.54 178.34 1dna h LYS 96 N -0.07 0.68 -0.21 4.80 1.63 -0.88 -1.84 116.57 120.69 1dna h LYS 96 Ca 0.31 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.95 1dna h LYS 96 Cb 0.56 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 1dna h LYS 96 CO -0.77 0.45 -0.36 1.96 -3.45 0.00 0.00 179.45 177.28 1dna h GLN 97 N 0.70 0.46 0.00 1.90 1.08 -0.95 0.31 115.11 118.62 1dna h GLN 97 Ca 0.20 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1dna h GLN 97 Cb -0.05 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1dna h GLN 97 CO -0.06 0.76 -0.00 -1.49 -0.95 0.00 0.00 178.83 177.09 1dna h TRP 98 N 0.39 -0.00 0.00 2.96 4.06 -0.33 -3.28 115.95 119.75 1dna h TRP 98 Ca 0.04 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.99 1dna h TRP 98 Cb 0.82 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.98 1dna h TRP 98 CO 0.03 0.40 -1.23 0.54 -3.56 0.00 0.00 178.44 174.62 1dna n ARG 99 N -4.90 0.42 -2.81 0.49 5.12 -0.72 -1.00 116.66 113.27 1dna n ARG 99 Ca -0.08 -0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 55.71 1dna n ARG 99 Cb 0.21 -1.62 0.07 0.00 -1.16 0.00 0.00 32.46 29.96 1dna n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1dna n ALA 100 N -1.98 0.54 -1.67 7.54 0.00 0.11 -3.79 120.51 121.25 1dna n ALA 100 Ca 0.00 -1.97 -0.45 0.00 0.00 0.00 0.00 53.44 51.03 1dna n ALA 100 Cb 0.49 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 1dna n ALA 100 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1dna n TRP 101 N 0.12 2.44 -2.58 0.00 -0.00 -0.36 -4.47 117.44 112.60 1dna n TRP 101 Ca 0.08 -0.20 -0.43 0.00 -0.00 0.00 0.00 57.50 56.96 1dna n TRP 101 Cb 0.73 -2.74 -0.02 0.00 -0.00 0.00 0.00 31.31 29.28 1dna n TRP 101 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 177.69 175.55 1dna s PRO 102 N 4.10 4.21 0.58 5.87 0.02 -1.26 -0.15 135.00 148.38 1dna s PRO 102 Ca 0.90 1.41 -0.13 0.00 0.02 0.00 0.00 61.00 63.20 1dna s PRO 102 Cb -0.55 -3.70 -0.05 0.00 0.02 0.00 0.00 34.50 30.22 1dna s PRO 102 CO 0.46 -0.71 1.01 0.95 -0.33 0.00 0.00 177.00 178.38 1dna s THR 103 N 3.40 4.65 0.53 0.99 -4.23 0.26 -4.95 115.64 116.29 1dna s THR 103 Ca 0.48 0.99 0.21 0.00 -1.18 0.00 0.00 61.69 62.19 1dna s THR 103 Cb -0.17 -3.82 0.29 0.00 1.34 0.00 0.00 72.50 70.14 1dna s THR 103 CO 0.10 -0.99 2.16 1.55 -0.54 0.00 0.00 174.62 176.91 1dna h PRO 104 N 0.12 0.00 -0.60 3.99 0.13 -1.96 -1.94 132.00 131.74 1dna h PRO 104 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1dna h PRO 104 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1dna h PRO 104 CO 0.62 0.03 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 1dna n ASP 105 N -4.23 1.90 0.00 1.44 5.68 -1.26 -4.89 116.55 115.19 1dna n ASP 105 Ca -0.03 -2.16 0.00 0.00 -0.50 0.00 0.00 54.79 52.10 1dna n ASP 105 Cb 0.12 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 1dna n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dna n GLY 106 N 0.47 2.44 3.74 6.12 0.00 -0.73 -5.06 105.19 112.19 1dna n GLY 106 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1dna n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dna s ARG 107 N -0.58 0.65 0.03 1.61 0.52 -1.26 -4.76 118.95 115.16 1dna s ARG 107 Ca 0.00 0.27 0.04 0.00 -0.52 0.00 0.00 55.73 55.52 1dna s ARG 107 Cb 0.00 -1.78 -0.02 0.00 0.52 0.00 0.00 34.95 33.67 1dna s ARG 107 CO 0.00 -2.53 -0.13 -1.01 0.02 0.00 0.00 175.30 171.65 1dna s HIS 108 N -3.20 1.14 -0.16 -0.53 3.76 -1.26 -0.57 115.29 114.47 1dna s HIS 108 Ca 0.65 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 55.24 1dna s HIS 108 Cb -0.15 -0.68 0.01 0.00 1.11 0.00 0.00 32.58 32.87 1dna s HIS 108 CO 0.55 0.02 -0.19 0.42 -0.85 0.00 0.00 174.74 174.69 1dna s ILE 109 N -0.81 2.29 -0.87 0.60 1.01 0.79 -4.86 121.20 119.34 1dna s ILE 109 Ca 0.01 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 59.58 1dna s ILE 109 Cb -0.07 -1.95 0.13 0.00 0.01 0.00 0.00 42.46 40.57 1dna s ILE 109 CO 0.01 0.53 1.07 -0.62 0.00 0.00 0.00 174.94 175.93 1dna s ASP 110 N 0.95 6.55 0.32 3.58 -1.08 -1.25 -1.22 116.67 124.53 1dna s ASP 110 Ca -0.03 -1.90 0.01 0.00 -0.52 0.00 0.00 52.55 50.10 1dna s ASP 110 Cb -0.15 -2.39 0.55 0.00 -1.46 0.00 0.00 42.92 39.47 1dna s ASP 110 CO -0.04 -1.09 1.95 1.56 0.52 0.00 0.00 175.17 178.06 1dna h GLN 111 N 8.90 0.84 -0.22 4.34 4.20 -1.32 -1.89 115.11 129.97 1dna h GLN 111 Ca 0.07 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1dna h GLN 111 Cb 1.03 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1dna h GLN 111 CO 1.10 0.63 -0.02 0.82 -0.67 0.00 0.00 178.83 180.69 1dna h ILE 112 N 0.85 1.27 -0.86 2.54 1.08 -1.88 -0.20 117.51 120.32 1dna h ILE 112 Ca 0.22 -0.95 -0.01 0.00 -0.39 0.00 0.00 64.86 63.73 1dna h ILE 112 Cb 0.03 1.44 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 1dna h ILE 112 CO -0.04 0.29 0.48 0.74 -0.69 0.00 0.00 178.15 178.94 1dna h THR 113 N 0.16 1.25 -0.16 -0.27 2.02 -1.85 -0.31 112.91 113.75 1dna h THR 113 Ca 0.06 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1dna h THR 113 Cb 0.44 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1dna h THR 113 CO 0.02 0.27 0.08 0.74 0.37 0.00 0.00 175.52 177.00 1dna h THR 114 N 1.19 1.12 -0.60 3.16 2.02 -1.16 -1.51 112.91 117.13 1dna h THR 114 Ca 0.30 -0.33 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1dna h THR 114 Cb 0.00 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1dna h THR 114 CO -0.05 0.11 0.36 0.58 0.37 0.00 0.00 175.52 176.88 1dna h VAL 115 N 0.14 1.04 0.30 3.16 2.07 -0.37 0.88 116.25 123.47 1dna h VAL 115 Ca 0.06 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1dna h VAL 115 Cb 0.10 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1dna h VAL 115 CO -0.01 0.13 -0.25 -0.07 0.02 0.00 0.00 177.57 177.39 1dna h LEU 116 N 0.69 -0.64 -1.71 2.57 3.38 -0.88 0.12 115.31 118.84 1dna h LEU 116 Ca 0.25 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.31 1dna h LEU 116 Cb 0.06 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1dna h LEU 116 CO -0.12 -0.37 0.26 0.78 0.09 0.00 0.00 178.44 179.08 1dna h ASN 117 N -0.55 0.33 -0.12 -0.43 2.35 -0.92 -0.32 115.58 115.91 1dna h ASN 117 Ca -0.02 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 1dna h ASN 117 Cb 0.49 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 1dna h ASN 117 CO -0.02 0.23 -0.19 1.56 -1.65 0.00 0.00 177.43 177.36 1dna h GLN 118 N 0.38 0.34 -0.46 0.81 4.20 -0.33 0.24 115.11 120.28 1dna h GLN 118 Ca 0.16 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1dna h GLN 118 Cb 0.16 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1dna h GLN 118 CO -0.04 0.78 0.13 -0.07 -0.67 0.00 0.00 178.83 178.96 1dna h LEU 119 N -0.08 0.64 0.15 1.46 3.38 -0.34 0.67 115.31 121.19 1dna h LEU 119 Ca 0.01 -0.10 -0.29 0.00 0.09 0.00 0.00 57.88 57.59 1dna h LEU 119 Cb 0.76 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.35 1dna h LEU 119 CO 0.04 0.62 -1.32 0.11 0.09 0.00 0.00 178.44 177.99 1dna h LYS 120 N 0.68 0.33 0.00 1.13 1.57 -1.03 -3.32 116.57 115.92 1dna h LYS 120 Ca 0.16 -0.56 -0.07 0.00 -1.87 0.00 0.00 60.65 58.31 1dna h LYS 120 Cb 0.23 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1dna h LYS 120 CO -0.01 1.26 -1.84 0.09 -0.57 0.00 0.00 179.45 178.38 1dna n ASN 121 N -3.56 1.16 -2.99 0.86 3.02 0.07 -4.81 115.26 109.00 1dna n ASN 121 Ca -0.11 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.28 1dna n ASN 121 Cb 1.04 1.56 -0.00 0.00 -0.61 0.00 0.00 39.78 41.77 1dna n ASN 121 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1dna n ASP 122 N -2.20 -0.93 0.28 6.41 2.03 0.23 -4.99 116.55 117.38 1dna n ASP 122 Ca -0.08 -3.11 0.12 0.00 0.52 0.00 0.00 54.79 52.24 1dna n ASP 122 Cb 0.58 0.47 0.78 0.00 -0.72 0.00 0.00 41.12 42.23 1dna n ASP 122 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1dna h PRO 123 N 3.59 0.00 0.00 -0.67 0.13 -1.58 -1.92 132.00 131.55 1dna h PRO 123 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1dna h PRO 123 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1dna h PRO 123 CO 0.38 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.90 1dna n ASP 124 N -4.17 0.00 -4.70 1.44 8.00 -1.26 -4.16 116.55 111.70 1dna n ASP 124 Ca -0.03 0.23 -0.43 0.00 0.71 0.00 0.00 54.79 55.28 1dna n ASP 124 Cb 0.09 -0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 40.79 1dna n ASP 124 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1dna n SER 125 N -1.39 2.82 -1.45 -2.24 2.88 -0.72 -4.89 113.62 108.62 1dna n SER 125 Ca 0.08 1.21 0.09 0.00 -1.33 0.00 0.00 58.87 58.91 1dna n SER 125 Cb 0.22 -1.49 0.33 0.00 -0.75 0.00 0.00 64.21 62.52 1dna n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1dna n ARG 126 N 0.64 3.75 -0.07 -1.46 1.74 -1.26 -4.29 116.66 115.71 1dna n ARG 126 Ca 0.05 -2.86 0.07 0.00 -0.77 0.00 0.00 57.85 54.34 1dna n ARG 126 Cb 0.36 -1.90 0.10 0.00 -1.02 0.00 0.00 32.46 30.00 1dna n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1dna n ARG 127 N 0.73 1.59 -2.55 5.56 1.74 -1.26 -4.94 116.66 117.53 1dna n ARG 127 Ca 0.24 -2.23 -0.41 0.00 -0.77 0.00 0.00 57.85 54.68 1dna n ARG 127 Cb 0.91 -1.33 -0.02 0.00 -1.02 0.00 0.00 32.46 31.00 1dna n ARG 127 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1dna s ILE 128 N -2.28 3.97 0.05 0.55 1.01 -1.26 -4.92 121.20 118.32 1dna s ILE 128 Ca 0.23 -1.12 0.04 0.00 0.00 0.00 0.00 60.65 59.80 1dna s ILE 128 Cb 0.20 -5.08 -0.02 0.00 0.01 0.00 0.00 42.46 37.56 1dna s ILE 128 CO 0.02 -1.94 -0.11 -0.63 0.00 0.00 0.00 174.94 172.28 1dna s ILE 129 N 4.89 0.83 -0.08 2.92 1.01 -1.26 -0.95 121.20 128.56 1dna s ILE 129 Ca 0.49 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1dna s ILE 129 Cb 0.01 -0.83 0.01 0.00 0.01 0.00 0.00 42.46 41.67 1dna s ILE 129 CO -0.04 -0.24 -0.14 -0.69 0.00 0.00 0.00 174.94 173.83 1dna s VAL 130 N -1.19 1.31 -0.05 2.92 1.01 -0.59 -4.93 120.40 118.89 1dna s VAL 130 Ca -0.05 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.42 1dna s VAL 130 Cb -0.09 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1dna s VAL 130 CO 0.01 0.40 -0.21 -0.55 0.00 0.00 0.00 175.10 174.75 1dna s SER 131 N 0.78 2.59 0.00 3.32 0.15 -1.26 -1.66 113.70 117.62 1dna s SER 131 Ca -0.12 -0.43 0.16 0.00 0.70 0.00 0.00 55.95 56.27 1dna s SER 131 Cb -0.16 -0.68 -0.16 0.00 -1.71 0.00 0.00 66.02 63.32 1dna s SER 131 CO 0.02 0.20 0.70 0.00 1.20 0.00 0.00 173.24 175.36 1dna n ALA 132 N 3.00 4.02 -1.69 5.45 0.00 0.08 -4.68 120.51 126.69 1dna n ALA 132 Ca -0.18 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.38 1dna n ALA 132 Cb 0.52 -0.58 -0.01 0.00 0.00 0.00 0.00 19.45 19.39 1dna n ALA 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1dna n TRP 133 N -1.27 3.40 -2.77 0.00 -0.00 -1.14 -4.86 117.44 110.79 1dna n TRP 133 Ca 0.03 -2.87 -0.43 0.00 -0.00 0.00 0.00 57.50 54.24 1dna n TRP 133 Cb 0.26 -2.48 -0.03 0.00 -0.00 0.00 0.00 31.31 29.05 1dna n TRP 133 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1dna s ASN 134 N 3.39 6.30 0.38 5.87 3.84 -1.26 -4.88 114.94 128.58 1dna s ASN 134 Ca 0.48 -1.16 0.13 0.00 0.21 0.00 0.00 52.86 52.52 1dna s ASN 134 Cb 0.14 -2.46 0.95 0.00 -0.55 0.00 0.00 41.25 39.33 1dna s ASN 134 CO -0.07 -1.45 1.84 0.58 -2.79 0.00 0.00 177.10 175.21 1dna h VAL 135 N 6.06 0.71 0.00 -5.21 2.07 -2.01 -0.93 116.25 116.94 1dna h VAL 135 Ca -0.13 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1dna h VAL 135 Cb 1.05 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1dna h VAL 135 CO 1.22 0.10 0.00 0.61 0.02 0.00 0.00 177.57 179.52 1dna n GLY 136 N -1.46 -1.24 0.00 2.17 0.00 -1.26 -3.46 105.19 99.93 1dna n GLY 136 Ca 0.20 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1dna n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dna n GLU 137 N -1.90 0.08 -0.17 1.61 1.02 -0.40 -4.77 120.64 116.10 1dna n GLU 137 Ca 0.03 -0.67 0.15 0.00 -0.02 0.00 0.00 57.16 56.65 1dna n GLU 137 Cb 0.24 -0.92 0.49 0.00 -0.02 0.00 0.00 31.44 31.23 1dna n GLU 137 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1dna h LEU 138 N 0.00 0.42 -1.74 -4.62 3.38 -1.46 -0.65 115.31 110.65 1dna h LEU 138 Ca 0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1dna h LEU 138 Cb 0.21 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1dna h LEU 138 CO 0.00 0.22 -0.14 0.44 0.09 0.00 0.00 178.44 179.05 1dna h ASP 139 N 0.45 0.00 0.38 -0.43 3.32 -1.86 -2.64 116.42 115.64 1dna h ASP 139 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1dna h ASP 139 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1dna h ASP 139 CO -0.13 0.14 -0.35 0.29 -1.72 0.00 0.00 179.24 177.47 1dna n LYS 140 N -3.53 0.44 -3.24 3.56 5.02 -0.26 -4.90 118.16 115.25 1dna n LYS 140 Ca -0.01 -0.25 -0.39 0.00 -2.02 0.00 0.00 58.31 55.64 1dna n LYS 140 Cb 0.28 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 1dna n LYS 140 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1dna s MET 141 N -2.73 4.25 0.35 1.97 -1.94 -1.00 -4.22 119.30 115.98 1dna s MET 141 Ca 0.18 0.76 0.04 0.00 -1.71 0.00 0.00 55.69 54.96 1dna s MET 141 Cb 0.18 -3.27 0.67 0.00 2.01 0.00 0.00 34.83 34.43 1dna s MET 141 CO 0.60 0.57 1.97 0.00 -0.01 0.00 0.00 175.02 178.15 1dna h ALA 142 N 4.81 1.62 -2.87 3.03 0.00 -1.53 -3.42 119.26 120.90 1dna h ALA 142 Ca -0.48 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 1dna h ALA 142 Cb 1.21 -0.23 -0.25 0.00 0.00 0.00 0.00 17.79 18.52 1dna h ALA 142 CO 0.65 0.30 -0.31 -1.17 0.00 0.00 0.00 179.25 178.72 1dna s LEU 143 N -9.75 0.56 0.33 0.00 2.96 -1.26 -5.07 118.68 106.45 1dna s LEU 143 Ca -0.10 0.72 -0.29 0.00 -0.22 0.00 0.00 54.13 54.24 1dna s LEU 143 Cb 0.19 1.20 -0.10 0.00 0.50 0.00 0.00 46.19 47.97 1dna s LEU 143 CO 0.77 -0.13 1.29 0.00 -1.32 0.00 0.00 176.35 176.96 1dna s ALA 144 N 0.38 3.47 0.00 5.97 0.00 -1.26 -4.92 121.76 125.40 1dna s ALA 144 Ca -0.02 1.24 -0.35 0.00 0.00 0.00 0.00 51.96 52.84 1dna s ALA 144 Cb -0.04 -3.47 -0.13 0.00 0.00 0.00 0.00 23.12 19.48 1dna s ALA 144 CO -0.01 -0.63 1.72 -2.30 0.00 0.00 0.00 175.76 174.54 1dna n PRO 145 N 0.76 2.03 -0.06 0.00 -0.02 -1.26 -4.92 135.00 131.54 1dna n PRO 145 Ca 0.00 0.74 -0.05 0.00 -2.02 0.00 0.00 63.50 62.17 1dna n PRO 145 Cb 0.42 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 31.33 1dna n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dna s HIS 147 N -1.79 3.15 -0.73 0.00 0.00 -1.26 -1.25 115.29 113.41 1dna s HIS 147 Ca -0.07 -1.47 0.24 0.00 -3.00 0.00 0.00 55.06 50.77 1dna s HIS 147 Cb -0.01 -4.29 0.32 0.00 -4.00 0.00 0.00 32.58 24.60 1dna s HIS 147 CO 0.23 -1.48 1.27 0.00 -1.00 0.00 0.00 174.74 173.76 1dna n ALA 148 N 6.48 3.21 -3.64 -1.38 0.00 -1.09 -4.84 120.51 119.25 1dna n ALA 148 Ca 0.26 -0.31 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 1dna n ALA 148 Cb 0.48 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.76 1dna n ALA 148 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1dna s PHE 149 N -3.13 -0.79 0.02 0.00 2.19 -1.23 -0.74 117.98 114.30 1dna s PHE 149 Ca 0.07 1.66 -0.01 0.00 0.33 0.00 0.00 56.93 58.98 1dna s PHE 149 Cb 0.15 0.46 -0.02 0.00 -1.31 0.00 0.00 43.02 42.29 1dna s PHE 149 CO 0.73 -0.39 -0.02 -0.59 1.83 0.00 0.00 175.22 176.78 1dna s PHE 150 N 1.19 0.28 -0.02 10.12 -0.71 -0.67 -0.87 117.98 127.30 1dna s PHE 150 Ca -0.07 -0.59 0.04 0.00 -1.04 0.00 0.00 56.93 55.27 1dna s PHE 150 Cb -0.05 -0.21 -0.00 0.00 -1.21 0.00 0.00 43.02 41.55 1dna s PHE 150 CO -0.14 -0.22 -0.13 -1.14 -1.34 0.00 0.00 175.22 172.25 1dna s GLN 151 N -1.82 1.21 0.33 1.99 0.74 -0.37 -1.54 119.66 120.20 1dna s GLN 151 Ca -0.13 -0.45 0.02 0.00 0.05 0.00 0.00 55.36 54.85 1dna s GLN 151 Cb -0.07 -1.12 -0.03 0.00 1.10 0.00 0.00 33.01 32.89 1dna s GLN 151 CO -0.02 0.22 0.51 -0.06 -0.55 0.00 0.00 175.29 175.38 1dna s PHE 152 N -0.06 3.43 -0.10 1.67 0.08 -0.12 -0.90 117.98 121.98 1dna s PHE 152 Ca 0.00 0.20 -0.18 0.00 0.12 0.00 0.00 56.93 57.08 1dna s PHE 152 Cb -0.08 -1.86 0.04 0.00 -0.57 0.00 0.00 43.02 40.56 1dna s PHE 152 CO 0.00 0.15 0.44 -0.47 -0.10 0.00 0.00 175.22 175.24 1dna s TYR 153 N -2.24 -0.41 -0.05 0.36 5.04 -0.27 -4.64 117.35 115.13 1dna s TYR 153 Ca 0.40 0.88 0.02 0.00 -2.44 0.00 0.00 57.07 55.92 1dna s TYR 153 Cb -0.09 0.18 0.01 0.00 0.35 0.00 0.00 41.96 42.41 1dna s TYR 153 CO 0.34 -0.35 -0.10 0.08 -1.34 0.00 0.00 175.55 174.18 1dna s VAL 154 N -0.53 0.92 -0.23 3.14 1.01 -1.26 -0.34 120.40 123.12 1dna s VAL 154 Ca -0.06 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 1dna s VAL 154 Cb -0.03 -0.85 0.07 0.00 0.00 0.00 0.00 36.38 35.56 1dna s VAL 154 CO 0.03 0.30 0.58 0.00 0.00 0.00 0.00 175.10 176.01 1dna s ALA 155 N 0.61 -1.52 -1.40 5.51 0.00 -0.64 -4.82 121.76 119.49 1dna s ALA 155 Ca -0.11 1.97 -0.02 0.00 0.00 0.00 0.00 51.96 53.80 1dna s ALA 155 Cb -0.14 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 21.83 1dna s ALA 155 CO 0.02 -0.32 0.18 -0.25 0.00 0.00 0.00 175.76 175.39 1dna n ASP 156 N 3.95 -4.91 0.00 0.00 8.00 -1.26 -0.67 116.55 121.65 1dna n ASP 156 Ca -0.20 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.26 1dna n ASP 156 Cb 0.57 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.59 1dna n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dna n GLY 157 N -1.06 0.50 3.69 0.44 0.00 -1.26 -4.99 105.19 102.52 1dna n GLY 157 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1dna n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dna s LYS 158 N -0.25 2.98 -0.30 1.61 1.02 0.15 -1.25 119.74 123.71 1dna s LYS 158 Ca 0.00 -0.42 -0.10 0.00 0.02 0.00 0.00 55.97 55.47 1dna s LYS 158 Cb 0.00 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.49 1dna s LYS 158 CO 0.00 0.70 0.17 -1.17 -0.92 0.00 0.00 175.35 174.13 1dna s LEU 159 N -0.96 4.08 0.33 3.17 2.96 0.49 -1.63 118.68 127.11 1dna s LEU 159 Ca 0.14 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.80 1dna s LEU 159 Cb -0.11 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1dna s LEU 159 CO 0.03 -0.15 0.18 -0.44 -1.32 0.00 0.00 176.35 174.66 1dna s SER 160 N 1.67 4.92 -0.19 3.68 0.01 0.54 0.13 113.70 124.47 1dna s SER 160 Ca 0.06 -0.64 -0.12 0.00 1.31 0.00 0.00 55.95 56.56 1dna s SER 160 Cb -0.17 -0.86 0.06 0.00 0.21 0.00 0.00 66.02 65.26 1dna s SER 160 CO 0.08 -0.28 0.46 0.00 0.41 0.00 0.00 173.24 173.92 1dna s GLN 162 N 1.21 3.39 -0.08 0.00 0.74 -0.08 -0.60 119.66 124.23 1dna s GLN 162 Ca -0.08 -0.68 0.00 0.00 0.05 0.00 0.00 55.36 54.66 1dna s GLN 162 Cb -0.07 -2.67 -0.03 0.00 1.10 0.00 0.00 33.01 31.35 1dna s GLN 162 CO -0.11 0.18 -0.07 -1.17 -0.55 0.00 0.00 175.29 173.57 1dna s LEU 163 N 0.45 3.15 -0.30 3.68 2.96 0.21 -1.24 118.68 127.59 1dna s LEU 163 Ca -0.09 -0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1dna s LEU 163 Cb -0.16 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 44.87 1dna s LEU 163 CO 0.05 0.33 0.04 -0.47 -1.32 0.00 0.00 176.35 174.98 1dna s TYR 164 N -0.62 3.21 -0.36 5.38 6.14 -0.05 -0.96 117.35 130.09 1dna s TYR 164 Ca 0.09 -1.49 -0.08 0.00 0.64 0.00 0.00 57.07 56.23 1dna s TYR 164 Cb -0.12 -2.19 0.04 0.00 0.42 0.00 0.00 41.96 40.12 1dna s TYR 164 CO 0.02 -0.72 0.15 -1.14 0.64 0.00 0.00 175.55 174.50 1dna s GLN 165 N 1.36 2.69 0.25 4.97 0.74 0.62 -2.69 119.66 127.60 1dna s GLN 165 Ca -0.02 -1.16 -0.04 0.00 0.05 0.00 0.00 55.36 54.20 1dna s GLN 165 Cb -0.19 -3.58 0.29 0.00 1.10 0.00 0.00 33.01 30.64 1dna s GLN 165 CO 0.00 -0.69 1.78 0.07 -0.55 0.00 0.00 175.29 175.90 1dna h ARG 166 N 8.31 0.92 -4.79 1.67 0.11 -1.47 0.25 114.38 119.39 1dna h ARG 166 Ca -0.24 -0.21 -0.47 0.00 0.10 0.00 0.00 59.98 59.15 1dna h ARG 166 Cb 1.09 -0.13 -0.31 0.00 1.11 0.00 0.00 29.97 31.73 1dna h ARG 166 CO 0.63 0.84 -0.80 0.45 0.10 0.00 0.00 179.97 181.19 1dna s SER 167 N -6.55 1.53 -0.03 0.08 0.15 -1.25 -0.26 113.70 107.36 1dna s SER 167 Ca -0.10 -0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.29 1dna s SER 167 Cb 0.15 -0.45 0.03 0.00 -1.71 0.00 0.00 66.02 64.04 1dna s SER 167 CO 0.82 0.09 0.04 0.00 1.20 0.00 0.00 173.24 175.39 1dna s ASN 169 N 1.55 6.32 0.20 0.00 3.84 -1.26 -1.47 114.94 124.13 1dna s ASN 169 Ca -0.03 -1.72 -0.14 0.00 0.21 0.00 0.00 52.86 51.17 1dna s ASN 169 Cb -0.13 -2.29 0.20 0.00 -0.55 0.00 0.00 41.25 38.48 1dna s ASN 169 CO -0.03 -1.01 1.64 0.58 -2.79 0.00 0.00 177.10 175.49 1dna h VAL 170 N 5.74 0.42 0.08 -5.21 2.07 -1.63 -0.78 116.25 116.95 1dna h VAL 170 Ca -0.18 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1dna h VAL 170 Cb 1.07 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1dna h VAL 170 CO 1.05 0.00 -0.04 0.15 0.02 0.00 0.00 177.57 178.75 1dna h PHE 171 N -0.00 -0.10 0.00 1.57 3.57 -1.93 -3.32 116.94 116.73 1dna h PHE 171 Ca 0.28 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.69 1dna h PHE 171 Cb 0.42 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1dna h PHE 171 CO -0.48 0.33 -0.68 -0.07 -2.23 0.00 0.00 178.31 175.18 1dna h LEU 172 N -0.56 0.00 -0.02 0.59 3.38 -1.95 -3.43 115.31 113.32 1dna h LEU 172 Ca -0.01 -0.29 -0.18 0.00 0.09 0.00 0.00 57.88 57.49 1dna h LEU 172 Cb 0.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1dna h LEU 172 CO 0.02 1.03 -0.68 1.23 0.09 0.00 0.00 178.44 180.13 1dna h GLY 173 N -1.00 0.55 0.06 0.83 0.00 -1.42 -3.38 103.07 98.70 1dna h GLY 173 Ca -0.13 -0.92 0.11 0.00 0.00 0.00 0.00 47.33 46.38 1dna h GLY 173 CO -0.08 0.82 -0.01 -2.00 0.00 0.00 0.00 176.54 175.26 1dna h LEU 174 N 0.04 -0.27 -1.03 3.11 5.85 -1.35 -0.96 115.31 120.71 1dna h LEU 174 Ca -0.08 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1dna h LEU 174 Cb 1.37 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.58 1dna h LEU 174 CO 0.13 -0.10 0.65 -0.65 -0.34 0.00 0.00 178.44 178.13 1dna h PRO 175 N 0.10 1.22 -0.23 5.25 0.11 -1.75 -1.85 132.00 134.84 1dna h PRO 175 Ca 0.28 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 1dna h PRO 175 Cb 0.43 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1dna h PRO 175 CO -0.47 0.80 0.05 0.74 -0.21 0.00 0.00 178.00 178.91 1dna h PHE 176 N 1.25 0.40 -0.27 0.65 -1.00 -1.48 -3.04 116.94 113.45 1dna h PHE 176 Ca 0.39 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 61.13 1dna h PHE 176 Cb 0.00 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.44 1dna h PHE 176 CO -0.00 0.48 0.17 -0.91 -1.61 0.00 0.00 178.31 176.45 1dna h ASN 177 N 0.20 0.32 0.37 2.17 -0.26 -0.86 -1.47 115.58 116.05 1dna h ASN 177 Ca 0.07 -0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1dna h ASN 177 Cb 0.29 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 1dna h ASN 177 CO 0.00 0.25 -0.34 0.40 -1.06 0.00 0.00 177.43 176.68 1dna h ILE 178 N 0.36 0.30 -0.69 2.81 2.04 -1.38 -1.74 117.51 119.21 1dna h ILE 178 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1dna h ILE 178 Cb -0.02 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.31 1dna h ILE 178 CO -0.02 0.00 0.42 0.00 0.00 0.00 0.00 178.15 178.55 1dna h ALA 179 N -0.25 0.91 -0.21 1.87 0.00 -1.52 -0.64 119.26 119.41 1dna h ALA 179 Ca -0.03 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1dna h ALA 179 Cb 0.65 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1dna h ALA 179 CO -0.05 0.17 -0.02 1.03 0.00 0.00 0.00 179.25 180.39 1dna h SER 180 N 0.81 -0.13 -0.21 0.00 0.87 -1.02 -0.27 113.55 113.61 1dna h SER 180 Ca 0.28 0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.71 1dna h SER 180 Cb 0.06 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1dna h SER 180 CO -0.12 -0.04 -0.57 1.88 -0.53 0.00 0.00 176.83 177.45 1dna h TYR 181 N 0.04 1.02 -0.71 2.24 -1.99 -1.06 -2.33 116.97 114.19 1dna h TYR 181 Ca 0.10 -0.37 0.05 0.00 2.00 0.00 0.00 58.73 60.51 1dna h TYR 181 Cb 0.14 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 38.64 1dna h TYR 181 CO -0.20 1.18 0.47 0.00 -0.00 0.00 0.00 178.16 179.61 1dna h ALA 182 N 0.74 1.65 -0.22 3.88 0.00 -0.88 -0.67 119.26 123.75 1dna h ALA 182 Ca 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1dna h ALA 182 Cb 1.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1dna h ALA 182 CO 0.12 0.26 0.00 1.25 0.00 0.00 0.00 179.25 180.89 1dna h LEU 183 N 0.80 0.38 -0.65 0.00 5.85 -0.85 -2.51 115.31 118.34 1dna h LEU 183 Ca 0.29 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1dna h LEU 183 Cb 0.15 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1dna h LEU 183 CO -0.09 0.59 0.37 0.25 -0.34 0.00 0.00 178.44 179.22 1dna h LEU 184 N 0.16 0.57 -0.44 2.25 5.85 -0.66 -1.20 115.31 121.84 1dna h LEU 184 Ca 0.06 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1dna h LEU 184 Cb 0.39 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1dna h LEU 184 CO 0.01 0.38 0.16 0.58 -0.34 0.00 0.00 178.44 179.23 1dna h VAL 185 N 0.70 0.87 -0.89 1.05 2.07 -1.03 0.89 116.25 119.90 1dna h VAL 185 Ca 0.28 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 1dna h VAL 185 Cb 0.14 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1dna h VAL 185 CO -0.16 0.06 0.55 0.45 0.02 0.00 0.00 177.57 178.49 1dna h HIS 186 N 0.34 1.17 -0.52 1.57 3.86 -0.87 0.14 115.15 120.83 1dna h HIS 186 Ca 0.21 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.31 1dna h HIS 186 Cb 0.19 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 1dna h HIS 186 CO -0.15 0.77 -0.08 0.52 0.86 0.00 0.00 177.93 179.85 1dna h MET 187 N 1.22 0.98 -0.14 2.45 2.07 -0.51 -1.51 114.93 119.49 1dna h MET 187 Ca 0.32 -0.35 -0.03 0.00 -2.07 0.00 0.00 59.70 57.57 1dna h MET 187 Cb -0.06 -0.07 -0.00 0.00 -1.87 0.00 0.00 31.60 29.60 1dna h MET 187 CO -0.06 1.03 -0.01 0.52 1.07 0.00 0.00 176.91 179.45 1dna h MET 188 N 0.84 0.25 -0.40 1.72 2.86 -0.40 -1.89 114.93 117.92 1dna h MET 188 Ca 0.14 -0.09 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1dna h MET 188 Cb 0.64 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.23 1dna h MET 188 CO 0.04 0.51 0.12 0.00 1.06 0.00 0.00 176.91 178.65 1dna h ALA 189 N 0.73 0.46 -0.30 6.32 0.00 -0.68 0.37 119.26 126.16 1dna h ALA 189 Ca 0.04 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1dna h ALA 189 Cb 0.41 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1dna h ALA 189 CO 0.01 -0.28 0.19 0.37 0.00 0.00 0.00 179.25 179.54 1dna h GLN 190 N 0.27 0.41 0.00 0.00 4.15 -1.23 0.57 115.11 119.28 1dna h GLN 190 Ca 0.19 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1dna h GLN 190 Cb 0.19 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1dna h GLN 190 CO -0.21 0.31 0.00 1.96 -1.93 0.00 0.00 178.83 178.95 1dna h GLN 191 N 0.39 0.00 -0.15 1.69 1.08 -0.80 -2.87 115.11 114.46 1dna h GLN 191 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1dna h GLN 191 Cb -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1dna h GLN 191 CO -0.02 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.86 1dna n ASP 193 N -0.46 -1.22 -4.26 0.00 8.00 0.03 -4.98 116.55 113.67 1dna n ASP 193 Ca 0.11 -1.03 -0.17 0.00 0.71 0.00 0.00 54.79 54.41 1dna n ASP 193 Cb 0.53 -3.01 -0.11 0.00 -0.02 0.00 0.00 41.12 38.51 1dna n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1dna s LEU 194 N -6.92 2.45 0.51 0.64 1.43 -0.25 -5.04 118.68 111.50 1dna s LEU 194 Ca 0.10 -0.87 -0.09 0.00 -1.03 0.00 0.00 54.13 52.24 1dna s LEU 194 Cb -0.04 -0.53 -0.05 0.00 0.03 0.00 0.00 46.19 45.61 1dna s LEU 194 CO 0.89 -0.18 0.87 -1.61 0.23 0.00 0.00 176.35 176.54 1dna s GLU 195 N -2.99 3.63 0.26 1.70 0.41 -0.38 -4.33 118.70 117.00 1dna s GLU 195 Ca 0.12 0.46 -0.26 0.00 -0.41 0.00 0.00 54.97 54.88 1dna s GLU 195 Cb -0.03 -2.28 -0.09 0.00 -1.78 0.00 0.00 34.13 29.95 1dna s GLU 195 CO 0.03 -0.28 0.88 0.14 -0.49 0.00 0.00 175.26 175.54 1dna s VAL 196 N -2.79 4.27 0.00 2.63 -7.23 -1.26 -0.38 120.40 115.64 1dna s VAL 196 Ca 0.51 1.76 0.00 0.00 -1.81 0.00 0.00 61.98 62.44 1dna s VAL 196 Cb -0.10 -4.07 0.00 0.00 0.56 0.00 0.00 36.38 32.76 1dna s VAL 196 CO 0.44 0.29 0.00 0.61 -0.31 0.00 0.00 175.10 176.13 1dna n GLY 197 N 0.95 1.09 3.60 2.32 0.00 0.12 -4.61 105.19 108.65 1dna n GLY 197 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1dna n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dna s ASP 198 N -0.04 4.57 -0.28 1.61 1.01 -1.26 -1.02 116.67 121.27 1dna s ASP 198 Ca 0.00 -0.29 -0.05 0.00 0.71 0.00 0.00 52.55 52.93 1dna s ASP 198 Cb 0.00 -0.97 0.02 0.00 1.01 0.00 0.00 42.92 42.98 1dna s ASP 198 CO 0.00 0.20 0.03 0.12 0.21 0.00 0.00 175.17 175.73 1dna s PHE 199 N -1.18 3.13 -0.27 4.23 5.36 0.24 -1.57 117.98 127.93 1dna s PHE 199 Ca 0.21 -1.25 -0.09 0.00 -0.96 0.00 0.00 56.93 54.84 1dna s PHE 199 Cb -0.11 -2.18 -0.03 0.00 -0.34 0.00 0.00 43.02 40.36 1dna s PHE 199 CO 0.13 -0.65 0.12 0.08 -1.46 0.00 0.00 175.22 173.44 1dna s VAL 200 N 1.42 4.69 -0.21 3.12 1.01 0.23 -0.45 120.40 130.20 1dna s VAL 200 Ca 0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1dna s VAL 200 Cb -0.17 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1dna s VAL 200 CO -0.00 0.28 0.06 0.86 0.00 0.00 0.00 175.10 176.30 1dna s TRP 201 N 1.66 3.15 -0.06 5.22 -0.00 0.47 -0.62 118.94 128.77 1dna s TRP 201 Ca 0.06 -0.19 0.04 0.00 -0.00 0.00 0.00 56.10 56.01 1dna s TRP 201 Cb -0.16 -2.15 0.00 0.00 -0.00 0.00 0.00 33.47 31.17 1dna s TRP 201 CO 0.06 -0.11 -0.17 0.99 -0.00 0.00 0.00 176.95 177.72 1dna s THR 202 N 0.99 1.48 0.16 5.86 2.01 -0.13 -0.67 115.64 125.33 1dna s THR 202 Ca 0.04 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.39 1dna s THR 202 Cb -0.14 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1dna s THR 202 CO 0.03 0.43 -0.14 -0.83 -0.69 0.00 0.00 174.62 173.42 1dna s GLY 203 N 0.31 1.22 0.00 4.40 0.00 -0.34 -0.28 107.32 112.63 1dna s GLY 203 Ca -0.11 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.14 1dna s GLY 203 CO 0.04 -1.55 0.00 0.61 0.00 0.00 0.00 173.10 172.20 1dna n GLY 204 N 0.06 0.52 3.55 0.20 0.00 0.88 -2.95 105.19 107.45 1dna n GLY 204 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1dna n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dna s ASP 205 N -1.00 6.11 -0.26 1.61 -1.08 0.64 -1.78 116.67 120.90 1dna s ASP 205 Ca 0.00 -0.61 -0.11 0.00 -0.52 0.00 0.00 52.55 51.31 1dna s ASP 205 Cb 0.00 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.85 1dna s ASP 205 CO 0.00 -1.85 0.20 -0.89 0.52 0.00 0.00 175.17 173.15 1dna s THR 206 N 6.07 5.31 0.14 1.71 2.01 -0.39 -1.13 115.64 129.38 1dna s THR 206 Ca 0.42 0.22 -0.08 0.00 0.31 0.00 0.00 61.69 62.57 1dna s THR 206 Cb -0.07 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 1dna s THR 206 CO 0.09 0.28 0.23 -1.38 -0.69 0.00 0.00 174.62 173.15 1dna s HIS 207 N 1.50 0.42 -0.13 4.92 -3.43 -0.54 -1.27 115.29 116.76 1dna s HIS 207 Ca 0.08 -0.80 0.01 0.00 -0.80 0.00 0.00 55.06 53.55 1dna s HIS 207 Cb -0.15 -0.12 0.02 0.00 -1.43 0.00 0.00 32.58 30.89 1dna s HIS 207 CO 0.08 -0.65 -0.15 -0.51 -2.00 0.00 0.00 174.74 171.51 1dna s LEU 208 N -2.96 1.71 0.36 5.38 1.43 -0.60 -1.41 118.68 122.59 1dna s LEU 208 Ca 0.16 -0.46 -0.27 0.00 -1.03 0.00 0.00 54.13 52.53 1dna s LEU 208 Cb 0.04 -1.14 -0.09 0.00 0.03 0.00 0.00 46.19 45.03 1dna s LEU 208 CO -0.02 -0.02 1.20 -0.31 0.23 0.00 0.00 176.35 177.43 1dna s TYR 209 N 1.22 3.16 0.30 0.29 1.51 -1.26 -0.84 117.35 121.73 1dna s TYR 209 Ca -0.01 1.54 0.06 0.00 -1.01 0.00 0.00 57.07 57.65 1dna s TYR 209 Cb -0.14 -3.46 0.75 0.00 -0.11 0.00 0.00 41.96 39.00 1dna s TYR 209 CO -0.06 -1.32 1.76 0.66 -1.11 0.00 0.00 175.55 175.48 1dna h SER 210 N 3.10 0.74 0.00 2.29 4.64 -1.60 -1.40 113.55 121.32 1dna h SER 210 Ca -0.48 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1dna h SER 210 Cb 1.23 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1dna h SER 210 CO 0.64 0.24 0.00 -0.46 -0.87 0.00 0.00 176.83 176.38 1dna n ASN 211 N -4.80 1.75 0.00 4.97 6.94 -1.26 -2.74 115.26 120.11 1dna n ASN 211 Ca 0.23 -1.84 0.00 0.00 -0.02 0.00 0.00 54.58 52.96 1dna n ASN 211 Cb 0.59 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 1dna n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1dna n HIS 212 N 0.27 0.00 -0.17 -2.53 8.25 -0.53 -4.82 115.22 115.68 1dna n HIS 212 Ca 0.00 -0.09 -0.01 0.00 -0.26 0.00 0.00 57.72 57.35 1dna n HIS 212 Cb 0.33 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.50 1dna n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1dna h MET 213 N 0.00 0.07 0.04 -0.41 2.86 -1.65 -0.41 114.93 115.43 1dna h MET 213 Ca 0.00 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1dna h MET 213 Cb 0.37 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1dna h MET 213 CO 0.00 0.05 -0.02 -0.44 1.06 0.00 0.00 176.91 177.56 1dna h ASP 214 N 0.08 -0.04 -0.67 1.22 3.32 -1.89 -1.18 116.42 117.25 1dna h ASP 214 Ca 0.27 -0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.28 1dna h ASP 214 Cb 0.42 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.92 1dna h ASP 214 CO -0.49 0.10 0.33 1.56 -1.72 0.00 0.00 179.24 179.02 1dna h GLN 215 N -0.19 0.56 -0.14 3.56 7.50 -1.82 0.56 115.11 125.14 1dna h GLN 215 Ca -0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 1dna h GLN 215 Cb 0.17 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.57 1dna h GLN 215 CO 0.01 0.37 0.06 1.15 -1.50 0.00 0.00 178.83 178.92 1dna h THR 216 N 0.57 1.13 -0.62 -0.54 2.02 -0.96 -1.20 112.91 113.31 1dna h THR 216 Ca 0.32 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 67.14 1dna h THR 216 Cb 0.32 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1dna h THR 216 CO -0.25 0.12 0.41 0.45 0.37 0.00 0.00 175.52 176.62 1dna h HIS 217 N 0.09 0.73 -0.10 3.16 3.86 -0.41 0.07 115.15 122.54 1dna h HIS 217 Ca 0.05 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1dna h HIS 217 Cb 0.13 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 1dna h HIS 217 CO -0.02 0.44 -0.02 1.25 0.86 0.00 0.00 177.93 180.43 1dna h LEU 218 N 0.77 0.20 -1.12 2.43 5.85 -0.60 -3.13 115.31 119.71 1dna h LEU 218 Ca 0.24 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1dna h LEU 218 Cb 0.01 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1dna h LEU 218 CO -0.06 0.52 0.21 -0.61 -0.34 0.00 0.00 178.44 178.16 1dna h GLN 219 N -0.12 0.83 0.00 1.25 4.15 -0.58 -2.59 115.11 118.04 1dna h GLN 219 Ca 0.03 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1dna h GLN 219 Cb 0.43 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1dna h GLN 219 CO 0.01 0.69 0.00 1.28 -1.93 0.00 0.00 178.83 178.88 1dna n LEU 220 N -4.32 0.03 0.00 -2.39 4.77 -0.05 -1.99 117.00 113.05 1dna n LEU 220 Ca 0.05 0.51 0.10 0.00 -0.03 0.00 0.00 56.01 56.64 1dna n LEU 220 Cb 0.17 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.67 1dna n LEU 220 CO 0.39 -0.38 -0.07 -1.54 -1.33 0.00 0.00 177.39 174.46 1dna n SER 221 N -1.53 0.85 -4.68 -1.43 3.41 -0.98 -4.92 113.62 104.36 1dna n SER 221 Ca 0.02 -0.82 -0.41 0.00 -0.26 0.00 0.00 58.87 57.40 1dna n SER 221 Cb 0.10 1.02 -0.05 0.00 -0.26 0.00 0.00 64.21 65.02 1dna n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1dna s ARG 222 N -3.05 4.30 0.15 4.33 0.52 -0.84 -5.03 118.95 119.32 1dna s ARG 222 Ca 0.07 0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 55.83 1dna s ARG 222 Cb 0.16 -3.55 -0.08 0.00 0.52 0.00 0.00 34.95 32.00 1dna s ARG 222 CO 0.86 -0.22 1.28 -1.21 0.02 0.00 0.00 175.30 176.02 1dna s GLU 223 N 1.81 4.41 0.46 3.54 0.41 -1.26 -4.92 118.70 123.15 1dna s GLU 223 Ca 0.35 1.96 -0.24 0.00 -0.41 0.00 0.00 54.97 56.63 1dna s GLU 223 Cb -0.17 -3.24 -0.07 0.00 -1.78 0.00 0.00 34.13 28.87 1dna s GLU 223 CO 0.13 -0.25 1.25 -2.14 -0.49 0.00 0.00 175.26 173.77 1dna s PRO 224 N 0.31 3.71 0.35 0.39 0.02 -1.26 -4.83 135.00 133.69 1dna s PRO 224 Ca 0.58 2.01 0.08 0.00 0.02 0.00 0.00 61.00 63.68 1dna s PRO 224 Cb -0.34 -2.51 -0.03 0.00 0.02 0.00 0.00 34.50 31.64 1dna s PRO 224 CO 0.35 -0.66 0.29 1.03 -0.33 0.00 0.00 177.00 177.68 1dna s ARG 225 N -2.56 2.67 0.45 5.54 0.52 -1.26 -5.06 118.95 119.24 1dna s ARG 225 Ca 0.63 -1.35 -0.23 0.00 -0.52 0.00 0.00 55.73 54.26 1dna s ARG 225 Cb -0.34 -2.44 -0.10 0.00 0.52 0.00 0.00 34.95 32.58 1dna s ARG 225 CO 0.43 0.06 0.86 -2.30 0.02 0.00 0.00 175.30 174.37 1dna n PRO 226 N -1.38 1.05 -2.55 3.54 -0.02 -1.26 -4.88 135.00 129.51 1dna n PRO 226 Ca -0.01 0.38 -0.38 0.00 -2.02 0.00 0.00 63.50 61.47 1dna n PRO 226 Cb 0.60 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 32.13 1dna n PRO 226 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1dna s LEU 227 N -0.07 4.37 1.06 2.45 1.43 -1.26 -4.76 118.68 121.91 1dna s LEU 227 Ca 0.65 2.12 -0.17 0.00 -1.03 0.00 0.00 54.13 55.69 1dna s LEU 227 Cb -0.55 -3.88 0.24 0.00 0.03 0.00 0.00 46.19 42.03 1dna s LEU 227 CO 0.56 -0.26 1.24 -2.16 0.23 0.00 0.00 176.35 175.96 1dna s PRO 228 N -1.90 -0.14 -0.02 1.29 0.04 -1.26 -4.77 135.00 128.25 1dna s PRO 228 Ca 0.50 -0.29 0.06 0.00 0.04 0.00 0.00 61.00 61.31 1dna s PRO 228 Cb -0.26 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1dna s PRO 228 CO 0.34 -2.95 -0.19 0.15 0.04 0.00 0.00 177.00 174.38 1dna s LYS 229 N -5.71 1.59 -0.09 4.56 -0.14 -0.01 -1.04 119.74 118.89 1dna s LYS 229 Ca 0.73 -0.69 -0.14 0.00 -1.36 0.00 0.00 55.97 54.51 1dna s LYS 229 Cb -0.06 -1.52 -0.05 0.00 -1.68 0.00 0.00 37.83 34.52 1dna s LYS 229 CO 0.54 0.41 0.35 -1.17 -0.76 0.00 0.00 175.35 174.72 1dna s LEU 230 N -0.43 4.35 -0.11 3.17 2.96 -1.26 -0.50 118.68 126.87 1dna s LEU 230 Ca 0.07 0.73 0.03 0.00 -0.22 0.00 0.00 54.13 54.74 1dna s LEU 230 Cb -0.08 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 44.14 1dna s LEU 230 CO -0.01 0.20 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.37 1dna s ILE 231 N -0.25 2.01 -0.53 6.68 -1.09 0.93 -4.96 121.20 123.99 1dna s ILE 231 Ca 0.21 -0.98 -0.08 0.00 -2.23 0.00 0.00 60.65 57.57 1dna s ILE 231 Cb -0.15 -1.75 0.14 0.00 -1.58 0.00 0.00 42.46 39.12 1dna s ILE 231 CO 0.09 0.55 0.40 -0.63 -1.23 0.00 0.00 174.94 174.11 1dna s ILE 232 N 0.51 4.22 0.63 2.92 1.01 -1.26 -0.72 121.20 128.51 1dna s ILE 232 Ca -0.15 -2.08 0.28 0.00 0.00 0.00 0.00 60.65 58.70 1dna s ILE 232 Cb -0.17 -3.76 0.33 0.00 0.01 0.00 0.00 42.46 38.87 1dna s ILE 232 CO 0.05 -0.82 1.87 0.11 0.00 0.00 0.00 174.94 176.16 1dna h LYS 233 N 8.11 0.00 -2.62 2.79 1.57 -0.82 -3.43 116.57 122.17 1dna h LYS 233 Ca -0.14 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.54 1dna h LYS 233 Cb 1.05 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.15 1dna h LYS 233 CO 0.81 0.00 -0.12 0.50 -0.57 0.00 0.00 179.45 180.07 1dna s ARG 234 N -4.35 0.72 -0.48 3.15 3.52 -1.26 -5.09 118.95 115.16 1dna s ARG 234 Ca -0.04 0.24 -0.13 0.00 -0.13 0.00 0.00 55.73 55.68 1dna s ARG 234 Cb 0.12 0.34 0.10 0.00 -1.56 0.00 0.00 34.95 33.94 1dna s ARG 234 CO 0.40 -0.17 0.39 0.21 -0.81 0.00 0.00 175.30 175.32 1dna s LYS 235 N -0.69 2.80 1.06 5.12 2.20 -1.26 -5.05 119.74 123.93 1dna s LYS 235 Ca -0.08 -1.56 -0.13 0.00 -0.36 0.00 0.00 55.97 53.84 1dna s LYS 235 Cb -0.03 -4.07 0.23 0.00 -1.51 0.00 0.00 37.83 32.44 1dna s LYS 235 CO 0.04 -1.14 1.07 -2.14 -0.36 0.00 0.00 175.35 172.83 1dna s PRO 236 N 1.53 -0.10 0.36 4.03 0.02 -1.26 -4.95 135.00 134.63 1dna s PRO 236 Ca 0.04 0.58 0.06 0.00 0.02 0.00 0.00 61.00 61.70 1dna s PRO 236 Cb -0.26 -1.67 0.69 0.00 0.02 0.00 0.00 34.50 33.28 1dna s PRO 236 CO 0.03 -3.11 1.91 0.93 -0.33 0.00 0.00 177.00 176.44 1dna h GLU 237 N -2.17 0.46 -3.78 5.54 4.39 -1.98 -3.46 114.58 113.60 1dna h GLU 237 Ca -0.57 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 58.95 1dna h GLU 237 Cb 1.34 -0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 29.80 1dna h GLU 237 CO 0.56 0.48 -0.21 -1.54 -1.16 0.00 0.00 179.01 177.14 1dna s SER 238 N -6.76 -0.05 0.62 1.42 1.04 -1.26 -5.02 113.70 103.69 1dna s SER 238 Ca -0.07 -0.91 0.41 0.00 0.48 0.00 0.00 55.95 55.86 1dna s SER 238 Cb 0.16 0.52 2.21 0.00 0.10 0.00 0.00 66.02 69.00 1dna s SER 238 CO 0.75 -1.03 2.26 -0.29 0.98 0.00 0.00 173.24 175.92 1dna h ILE 239 N 2.37 0.00 -0.01 -1.02 6.09 -1.93 -0.32 117.51 122.69 1dna h ILE 239 Ca -0.29 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 1dna h ILE 239 Cb 1.24 0.98 0.00 0.00 0.47 0.00 0.00 36.82 39.51 1dna h ILE 239 CO 0.41 0.00 -0.15 0.49 -3.07 0.00 0.00 178.15 175.84 1dna n PHE 240 N -2.98 0.00 -0.99 2.19 3.72 -1.26 -4.20 117.46 113.95 1dna n PHE 240 Ca -0.02 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.41 1dna n PHE 240 Cb 0.09 -0.08 0.34 0.00 -0.94 0.00 0.00 39.48 38.88 1dna n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1dna n ASP 241 N -0.38 4.93 -4.82 4.37 8.00 -0.13 -5.00 116.55 123.52 1dna n ASP 241 Ca 0.15 -3.07 -0.34 0.00 0.71 0.00 0.00 54.79 52.25 1dna n ASP 241 Cb 0.34 -0.67 -0.07 0.00 -0.02 0.00 0.00 41.12 40.71 1dna n ASP 241 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1dna s TYR 242 N -2.87 3.40 0.17 1.24 1.51 -1.26 -4.80 117.35 114.73 1dna s TYR 242 Ca 0.51 1.56 0.09 0.00 -1.01 0.00 0.00 57.07 58.22 1dna s TYR 242 Cb 0.41 -2.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.42 1dna s TYR 242 CO 0.13 0.00 -0.20 1.03 -1.11 0.00 0.00 175.55 175.40 1dna s ARG 243 N -2.90 1.31 0.35 -0.62 0.52 -1.26 -5.03 118.95 111.32 1dna s ARG 243 Ca 0.58 -1.42 0.07 0.00 -0.52 0.00 0.00 55.73 54.45 1dna s ARG 243 Cb -0.11 -1.44 0.77 0.00 0.52 0.00 0.00 34.95 34.70 1dna s ARG 243 CO 0.16 0.30 1.90 0.35 0.02 0.00 0.00 175.30 178.03 1dna h PHE 244 N 3.29 0.81 0.00 -0.53 3.57 -1.98 -1.31 116.94 120.80 1dna h PHE 244 Ca -0.43 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1dna h PHE 244 Cb 1.21 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1dna h PHE 244 CO 0.68 0.35 0.00 -0.85 -2.23 0.00 0.00 178.31 176.26 1dna n GLU 245 N -4.53 0.15 0.00 1.11 0.28 -1.26 -3.00 120.64 113.39 1dna n GLU 245 Ca 0.15 0.19 0.14 0.00 -0.16 0.00 0.00 57.16 57.47 1dna n GLU 245 Cb 0.38 -1.50 0.48 0.00 1.43 0.00 0.00 31.44 32.23 1dna n GLU 245 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1dna n ASP 246 N -1.31 1.10 -4.45 -1.84 8.00 -0.49 -4.86 116.55 112.70 1dna n ASP 246 Ca 0.05 -1.08 -0.32 0.00 0.71 0.00 0.00 54.79 54.16 1dna n ASP 246 Cb 0.10 0.05 -0.13 0.00 -0.02 0.00 0.00 41.12 41.12 1dna n ASP 246 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1dna s PHE 247 N -2.30 2.61 -0.03 1.24 0.08 -1.16 -0.07 117.98 118.34 1dna s PHE 247 Ca 0.31 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.14 1dna s PHE 247 Cb 0.20 -1.57 0.02 0.00 -0.57 0.00 0.00 43.02 41.10 1dna s PHE 247 CO 0.44 0.17 -0.03 -1.21 -0.10 0.00 0.00 175.22 174.49 1dna s GLU 248 N -0.90 0.64 -0.50 0.44 0.41 0.10 -4.96 118.70 113.93 1dna s GLU 248 Ca 0.12 -0.07 -0.07 0.00 -0.41 0.00 0.00 54.97 54.54 1dna s GLU 248 Cb -0.10 -0.68 0.13 0.00 -1.78 0.00 0.00 34.13 31.69 1dna s GLU 248 CO 0.02 -0.06 0.35 0.42 -0.49 0.00 0.00 175.26 175.49 1dna s ILE 249 N 0.79 4.01 0.11 -1.63 1.09 -1.26 -0.05 121.20 124.26 1dna s ILE 249 Ca -0.10 -2.04 -0.22 0.00 -1.10 0.00 0.00 60.65 57.19 1dna s ILE 249 Cb -0.13 -3.65 -0.07 0.00 -1.06 0.00 0.00 42.46 37.55 1dna s ILE 249 CO -0.00 -0.79 0.66 -0.70 -0.10 0.00 0.00 174.94 174.01 1dna s GLU 250 N 1.06 4.37 -0.95 2.79 2.12 0.35 -4.24 118.70 124.19 1dna s GLU 250 Ca 0.08 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.34 1dna s GLU 250 Cb -0.24 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 30.90 1dna s GLU 250 CO -0.02 0.61 0.00 0.41 -0.54 0.00 0.00 175.26 175.71 1dna n GLY 251 N 1.67 0.27 3.43 -1.50 0.00 -1.26 -0.83 105.19 106.97 1dna n GLY 251 Ca -0.08 -0.48 -0.44 0.00 0.00 0.00 0.00 46.02 45.02 1dna n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1dna s TYR 252 N -2.48 3.03 -0.66 1.61 5.04 -1.26 -4.33 117.35 118.30 1dna s TYR 252 Ca 0.00 -1.14 -0.02 0.00 -2.44 0.00 0.00 57.07 53.47 1dna s TYR 252 Cb 0.00 -4.19 0.17 0.00 0.35 0.00 0.00 41.96 38.29 1dna s TYR 252 CO 0.00 -1.45 0.48 0.34 -1.34 0.00 0.00 175.55 173.58 1dna s ASP 253 N 3.53 5.24 0.58 4.32 2.15 -1.26 -5.09 116.67 126.13 1dna s ASP 253 Ca 0.24 -3.06 -0.00 0.00 0.43 0.00 0.00 52.55 50.16 1dna s ASP 253 Cb -0.12 -1.83 0.04 0.00 -0.30 0.00 0.00 42.92 40.70 1dna s ASP 253 CO -0.01 -0.31 0.82 -2.16 -0.17 0.00 0.00 175.17 173.33 1dna s PRO 254 N -0.36 2.50 0.64 4.34 0.04 -1.26 -4.85 135.00 136.05 1dna s PRO 254 Ca 0.19 -0.66 -0.09 0.00 0.04 0.00 0.00 61.00 60.48 1dna s PRO 254 Cb -0.18 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1dna s PRO 254 CO -0.05 -0.80 1.00 -1.01 0.04 0.00 0.00 177.00 176.18 1dna s HIS 255 N -2.85 3.35 0.69 0.56 3.76 0.43 -4.87 115.29 116.36 1dna s HIS 255 Ca 0.57 0.92 -0.17 0.00 -0.15 0.00 0.00 55.06 56.24 1dna s HIS 255 Cb -0.10 -2.86 -0.03 0.00 1.11 0.00 0.00 32.58 30.69 1dna s HIS 255 CO 0.40 -0.94 0.68 -2.30 -0.85 0.00 0.00 174.74 171.73 1dna n PRO 256 N -2.78 0.44 -2.21 8.40 -0.02 -1.26 -1.42 135.00 136.15 1dna n PRO 256 Ca 0.05 0.19 -0.34 0.00 -2.02 0.00 0.00 63.50 61.38 1dna n PRO 256 Cb 0.57 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1dna n PRO 256 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1dna s GLY 257 N -1.46 2.46 -0.13 -1.23 0.00 -1.26 -3.61 107.32 102.09 1dna s GLY 257 Ca 0.69 0.67 0.02 0.00 0.00 0.00 0.00 44.72 46.11 1dna s GLY 257 CO 0.54 1.02 -0.21 -0.42 0.00 0.00 0.00 173.10 174.03 1dna s ILE 258 N -2.00 2.20 0.17 0.90 1.01 -1.26 -4.91 121.20 117.31 1dna s ILE 258 Ca 0.69 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 60.25 1dna s ILE 258 Cb -0.21 -1.88 -0.07 0.00 0.01 0.00 0.00 42.46 40.31 1dna s ILE 258 CO 0.29 0.55 0.59 -0.54 0.00 0.00 0.00 174.94 175.82 1dna s LYS 259 N 0.66 4.01 -0.28 2.79 1.02 -1.26 -5.07 119.74 121.62 1dna s LYS 259 Ca -0.10 0.54 -0.22 0.00 0.02 0.00 0.00 55.97 56.21 1dna s LYS 259 Cb -0.16 -2.88 0.08 0.00 -0.52 0.00 0.00 37.83 34.35 1dna s LYS 259 CO 0.02 0.44 0.75 0.00 -0.92 0.00 0.00 175.35 175.64 1dna s ALA 260 N -1.52 -1.85 0.73 5.17 0.00 -1.26 -4.95 121.76 118.08 1dna s ALA 260 Ca 0.40 2.15 -0.15 0.00 0.00 0.00 0.00 51.96 54.36 1dna s ALA 260 Cb -0.15 -1.31 0.04 0.00 0.00 0.00 0.00 23.12 21.70 1dna s ALA 260 CO 0.20 -0.34 1.20 -1.25 0.00 0.00 0.00 175.76 175.56 1dna s PRO 261 N 0.81 2.15 0.04 0.00 0.04 -1.26 -5.03 135.00 131.76 1dna s PRO 261 Ca -0.03 1.73 -0.04 0.00 0.04 0.00 0.00 61.00 62.69 1dna s PRO 261 Cb -0.05 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 1dna s PRO 261 CO -0.07 -1.82 0.26 0.08 0.04 0.00 0.00 177.00 175.50 1dna s VAL 262 N -2.03 5.31 -0.18 -0.36 1.01 -1.26 -5.04 120.40 117.86 1dna s VAL 262 Ca 0.74 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 1dna s VAL 262 Cb -0.28 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1dna s VAL 262 CO 0.45 0.24 0.24 0.00 0.00 0.00 0.00 175.10 176.03 1dna s ALA 263 N -1.42 3.62 -2.34 5.51 0.00 -1.26 -5.24 121.76 120.63 1dna s ALA 263 Ca 0.32 -0.54 0.19 0.00 0.00 0.00 0.00 51.96 51.93 1dna s ALA 263 Cb -0.13 -2.32 0.15 0.00 0.00 0.00 0.00 23.12 20.82 1dna s ALA 263 CO 0.21 0.11 1.09 -0.89 0.00 0.00 0.00 175.76 176.28