#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gjg s ASN 3 N 0.00 6.24 -0.41 5.98 3.04 -1.26 -5.02 114.94 123.51 2gjg s ASN 3 Ca 0.00 -0.40 -0.42 0.00 0.04 0.00 0.00 52.86 52.08 2gjg s ASN 3 Cb 0.00 -2.24 -0.17 0.00 -1.54 0.00 0.00 41.25 37.30 2gjg s ASN 3 CO 0.00 -0.55 1.91 -0.62 -3.04 0.00 0.00 177.10 174.80 2gjg n GLU 4 N 5.70 0.52 0.32 0.43 1.02 -1.26 -4.73 120.64 122.65 2gjg n GLU 4 Ca -0.06 0.17 0.21 0.00 -0.02 0.00 0.00 57.16 57.46 2gjg n GLU 4 Cb 0.48 -1.85 1.06 0.00 -0.02 0.00 0.00 31.44 31.12 2gjg n GLU 4 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2gjg h SER 5 N 8.15 0.00 -0.13 1.62 4.64 -2.04 0.13 113.55 125.92 2gjg h SER 5 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2gjg h SER 5 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2gjg h SER 5 CO 1.01 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 176.07 2gjg n ASP 6 N -3.05 2.18 -4.73 4.97 5.75 -1.26 -4.96 116.55 115.45 2gjg n ASP 6 Ca -0.02 -1.75 -0.42 0.00 -0.01 0.00 0.00 54.79 52.59 2gjg n ASP 6 Cb 0.13 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 2gjg n ASP 6 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gjg s ALA 7 N -1.85 3.54 0.20 2.12 0.00 0.44 -4.75 121.76 121.46 2gjg s ALA 7 Ca 0.34 1.10 -0.31 0.00 0.00 0.00 0.00 51.96 53.10 2gjg s ALA 7 Cb 0.20 -3.49 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 2gjg s ALA 7 CO 0.30 -0.55 1.54 -2.14 0.00 0.00 0.00 175.76 174.91 2gjg s PRO 8 N 0.19 4.22 -0.13 0.00 0.02 -1.26 -4.83 135.00 133.22 2gjg s PRO 8 Ca 0.58 2.37 -0.21 0.00 0.02 0.00 0.00 61.00 63.76 2gjg s PRO 8 Cb -0.36 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 30.99 2gjg s PRO 8 CO 0.36 -0.56 0.62 -0.65 -0.33 0.00 0.00 177.00 176.44 2gjg s GLN 9 N 0.58 4.33 0.84 5.54 -0.21 -1.26 -4.99 119.66 124.49 2gjg s GLN 9 Ca 0.67 0.69 -0.12 0.00 0.02 0.00 0.00 55.36 56.61 2gjg s GLN 9 Cb -0.44 -3.49 0.10 0.00 1.00 0.00 0.00 33.01 30.18 2gjg s GLN 9 CO 0.36 -0.02 1.13 -1.25 -2.12 0.00 0.00 175.29 173.39 2gjg s PRO 10 N 1.16 1.72 0.57 2.91 0.04 -1.26 -4.69 135.00 135.46 2gjg s PRO 10 Ca 0.32 0.37 -0.21 0.00 0.04 0.00 0.00 61.00 61.52 2gjg s PRO 10 Cb -0.16 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2gjg s PRO 10 CO 0.13 -1.81 1.33 -2.30 0.04 0.00 0.00 177.00 174.39 2gjg n PRO 11 N -3.52 1.52 -5.04 0.56 -0.02 -1.26 -4.75 135.00 122.49 2gjg n PRO 11 Ca 0.07 0.57 -0.32 0.00 -2.02 0.00 0.00 63.50 61.79 2gjg n PRO 11 Cb 0.59 -2.55 -0.15 0.00 -0.02 0.00 0.00 33.50 31.37 2gjg n PRO 11 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2gjg s LYS 12 N -3.00 2.75 -0.23 -0.52 2.20 0.10 -4.97 119.74 116.06 2gjg s LYS 12 Ca 0.75 -0.79 -0.08 0.00 -0.36 0.00 0.00 55.97 55.49 2gjg s LYS 12 Cb -0.41 -2.34 -0.03 0.00 -1.51 0.00 0.00 37.83 33.54 2gjg s LYS 12 CO 0.47 0.41 0.08 0.08 -0.36 0.00 0.00 175.35 176.03 2gjg s VAL 13 N -0.20 4.57 -0.19 4.02 1.01 -1.26 -0.35 120.40 128.00 2gjg s VAL 13 Ca -0.01 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 2gjg s VAL 13 Cb -0.13 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2gjg s VAL 13 CO 0.03 0.36 0.52 -0.76 0.00 0.00 0.00 175.10 175.25 2gjg s LEU 14 N 1.28 4.16 0.00 3.92 1.43 0.91 -4.95 118.68 125.42 2gjg s LEU 14 Ca 0.05 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 2gjg s LEU 14 Cb -0.15 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.36 2gjg s LEU 14 CO 0.04 -0.17 0.06 -1.54 0.23 0.00 0.00 176.35 174.97 2gjg n SER 15 N 4.72 0.12 -4.76 2.29 3.41 -1.26 -2.05 113.62 116.09 2gjg n SER 15 Ca -0.05 -0.51 -0.39 0.00 -0.26 0.00 0.00 58.87 57.66 2gjg n SER 15 Cb 0.50 0.74 -0.05 0.00 -0.26 0.00 0.00 64.21 65.14 2gjg n SER 15 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2gjg s THR 16 N -0.74 4.72 0.44 6.66 -4.23 -1.26 -4.88 115.64 116.36 2gjg s THR 16 Ca 0.00 1.48 0.15 0.00 -1.18 0.00 0.00 61.69 62.13 2gjg s THR 16 Cb 0.00 -4.04 0.18 0.00 1.34 0.00 0.00 72.50 69.99 2gjg s THR 16 CO 0.00 0.43 1.99 1.55 -0.54 0.00 0.00 174.62 178.05 2gjg h PRO 17 N 5.28 0.00 -0.81 3.99 0.13 -1.93 -0.67 132.00 137.99 2gjg h PRO 17 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2gjg h PRO 17 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2gjg h PRO 17 CO 0.69 0.19 0.52 1.25 -0.23 0.00 0.00 178.00 180.41 2gjg h LEU 18 N 0.00 0.94 -0.18 1.56 7.12 -1.99 -0.57 115.31 122.20 2gjg h LEU 18 Ca -0.00 -0.04 -0.15 0.00 0.13 0.00 0.00 57.88 57.82 2gjg h LEU 18 Cb 0.33 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.23 2gjg h LEU 18 CO 0.02 0.70 -0.49 -0.33 -0.13 0.00 0.00 178.44 178.21 2gjg h GLU 19 N 1.10 0.64 0.12 1.25 5.08 -1.87 -2.73 114.58 118.17 2gjg h GLU 19 Ca 0.29 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2gjg h GLU 19 Cb -0.10 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2gjg h GLU 19 CO -0.06 1.08 -0.11 0.82 -1.00 0.00 0.00 179.01 179.73 2gjg h ILE 20 N 0.32 0.74 -0.56 3.13 2.04 -1.04 -2.26 117.51 119.88 2gjg h ILE 20 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2gjg h ILE 20 Cb 1.11 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 2gjg h ILE 20 CO 0.11 0.00 0.23 0.00 0.00 0.00 0.00 178.15 178.49 2gjg h ALA 21 N 0.61 0.73 -0.77 1.87 0.00 -1.18 -1.42 119.26 119.09 2gjg h ALA 21 Ca 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.88 2gjg h ALA 21 Cb 0.24 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 2gjg h ALA 21 CO -0.03 0.34 0.37 0.00 0.00 0.00 0.00 179.25 179.93 2gjg h ALA 22 N 1.08 1.10 -0.20 0.00 0.00 -1.47 0.86 119.26 120.63 2gjg h ALA 22 Ca 0.19 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.98 2gjg h ALA 22 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2gjg h ALA 22 CO -0.02 -0.09 -0.65 -0.91 0.00 0.00 0.00 179.25 177.58 2gjg h ASN 23 N 0.58 0.85 -0.13 0.00 2.35 -0.72 -2.03 115.58 116.49 2gjg h ASN 23 Ca 0.40 -0.51 -0.14 0.00 -0.55 0.00 0.00 56.30 55.51 2gjg h ASN 23 Cb 0.51 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2gjg h ASN 23 CO -0.33 1.29 -0.38 -0.07 -1.65 0.00 0.00 177.43 176.29 2gjg h LEU 24 N 0.54 0.69 -0.67 1.61 3.38 -1.00 -2.75 115.31 117.12 2gjg h LEU 24 Ca -0.02 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.66 2gjg h LEU 24 Cb 1.26 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2gjg h LEU 24 CO 0.13 1.00 0.44 0.03 0.09 0.00 0.00 178.44 180.14 2gjg h ARG 25 N 0.54 0.87 -0.53 1.13 3.08 -0.70 -1.36 114.38 117.42 2gjg h ARG 25 Ca 0.05 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.10 2gjg h ARG 25 Cb 0.90 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 2gjg h ARG 25 CO 0.08 0.58 0.25 1.96 -1.07 0.00 0.00 179.97 181.77 2gjg h GLN 26 N 0.90 0.47 -0.62 0.04 4.20 -1.27 0.21 115.11 119.04 2gjg h GLN 26 Ca 0.25 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 2gjg h GLN 26 Cb -0.09 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 2gjg h GLN 26 CO -0.06 0.31 0.25 -0.07 -0.67 0.00 0.00 178.83 178.59 2gjg h LEU 27 N 0.49 0.83 0.46 1.46 3.38 -1.20 -1.88 115.31 118.85 2gjg h LEU 27 Ca 0.24 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2gjg h LEU 27 Cb 0.18 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2gjg h LEU 27 CO -0.18 0.75 -0.22 -0.61 0.09 0.00 0.00 178.44 178.26 2gjg h GLN 28 N 0.89 -0.59 -0.40 1.13 4.15 -0.42 -1.49 115.11 118.37 2gjg h GLN 28 Ca 0.21 0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.68 2gjg h GLN 28 Cb 0.18 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 2gjg h GLN 28 CO -0.02 -0.29 0.27 0.93 -1.93 0.00 0.00 178.83 177.79 2gjg h GLU 29 N -0.90 0.51 -0.01 1.69 5.08 -0.60 -1.12 114.58 119.23 2gjg h GLU 29 Ca -0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2gjg h GLU 29 Cb 0.58 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2gjg h GLU 29 CO 0.10 0.33 -0.20 0.43 -1.00 0.00 0.00 179.01 178.68 2gjg n SER 30 N -4.48 1.43 -3.86 1.42 7.64 -0.71 -4.97 113.62 110.10 2gjg n SER 30 Ca 0.03 -1.22 -0.28 0.00 1.01 0.00 0.00 58.87 58.42 2gjg n SER 30 Cb 0.08 0.14 0.03 0.00 -1.01 0.00 0.00 64.21 63.44 2gjg n SER 30 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2gjg n HIS 31 N -0.20 -2.18 -2.30 1.43 -0.00 -0.42 -4.89 115.22 106.66 2gjg n HIS 31 Ca 0.14 0.88 -0.42 0.00 0.46 0.00 0.00 57.72 58.78 2gjg n HIS 31 Cb 0.38 -4.09 -0.03 0.00 -0.12 0.00 0.00 29.99 26.14 2gjg n HIS 31 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2gjg s ASP 32 N -3.64 6.89 0.44 0.26 1.01 -0.93 -4.96 116.67 115.73 2gjg s ASP 32 Ca 0.46 1.92 -0.24 0.00 0.71 0.00 0.00 52.55 55.39 2gjg s ASP 32 Cb -0.23 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.08 2gjg s ASP 32 CO 0.83 -0.75 1.20 -2.16 0.21 0.00 0.00 175.17 174.49 2gjg s PRO 33 N 3.13 3.85 0.24 8.23 0.04 -1.26 -4.67 135.00 144.56 2gjg s PRO 33 Ca 0.61 1.88 0.08 0.00 0.04 0.00 0.00 61.00 63.60 2gjg s PRO 33 Cb -0.27 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 2gjg s PRO 33 CO 0.21 -0.50 0.08 -0.51 0.04 0.00 0.00 177.00 176.33 2gjg s LEU 34 N -2.79 3.50 -0.06 -3.56 1.43 0.19 -4.32 118.68 113.07 2gjg s LEU 34 Ca 0.61 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 53.35 2gjg s LEU 34 Cb -0.31 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 2gjg s LEU 34 CO 0.39 0.01 -0.22 -0.63 0.23 0.00 0.00 176.35 176.12 2gjg s ILE 35 N -2.11 1.85 -0.21 -0.59 1.09 -0.12 -2.46 121.20 118.65 2gjg s ILE 35 Ca 0.31 -0.94 -0.03 0.00 -1.10 0.00 0.00 60.65 58.90 2gjg s ILE 35 Cb -0.08 -1.58 -0.00 0.00 -1.06 0.00 0.00 42.46 39.75 2gjg s ILE 35 CO 0.22 0.52 -0.08 -0.63 -0.10 0.00 0.00 174.94 174.86 2gjg s ILE 36 N 0.01 3.07 -0.25 2.92 1.01 0.25 -2.33 121.20 125.89 2gjg s ILE 36 Ca -0.07 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 2gjg s ILE 36 Cb -0.14 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 2gjg s ILE 36 CO 0.04 0.45 0.03 -0.89 0.00 0.00 0.00 174.94 174.58 2gjg s THR 37 N 1.38 3.92 0.30 2.92 2.01 -0.74 -1.51 115.64 123.91 2gjg s THR 37 Ca 0.05 -0.37 -0.14 0.00 0.31 0.00 0.00 61.69 61.54 2gjg s THR 37 Cb -0.14 -2.85 -0.09 0.00 0.01 0.00 0.00 72.50 69.44 2gjg s THR 37 CO -0.05 0.33 0.69 -0.36 -0.69 0.00 0.00 174.62 174.53 2gjg s PHE 38 N 1.55 3.39 0.24 4.92 0.08 -1.26 -0.47 117.98 126.43 2gjg s PHE 38 Ca 0.06 1.13 -0.05 0.00 0.12 0.00 0.00 56.93 58.19 2gjg s PHE 38 Cb -0.15 -2.47 0.44 0.00 -0.57 0.00 0.00 43.02 40.27 2gjg s PHE 38 CO 0.01 0.14 1.72 1.25 -0.10 0.00 0.00 175.22 178.24 2gjg h HIS 39 N 2.36 0.44 -0.57 0.36 2.76 -1.14 -3.02 115.15 116.33 2gjg h HIS 39 Ca -0.48 0.04 -0.39 0.00 -2.20 0.00 0.00 60.37 57.34 2gjg h HIS 39 Cb 1.17 -0.08 -0.41 0.00 1.55 0.00 0.00 27.41 29.64 2gjg h HIS 39 CO 0.62 0.03 -0.96 -0.25 -1.30 0.00 0.00 177.93 176.07 2gjg n ASP 40 N -5.04 3.21 -4.26 3.26 8.00 -1.26 -5.04 116.55 115.42 2gjg n ASP 40 Ca 0.13 -2.90 -0.30 0.00 0.71 0.00 0.00 54.79 52.43 2gjg n ASP 40 Cb 0.41 -0.41 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 2gjg n ASP 40 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2gjg s ARG 41 N -3.64 2.23 0.11 -1.24 1.81 -1.14 -5.04 118.95 112.04 2gjg s ARG 41 Ca 0.39 -0.86 -0.12 0.00 -1.72 0.00 0.00 55.73 53.42 2gjg s ARG 41 Cb 0.37 -2.00 -0.14 0.00 -0.45 0.00 0.00 34.95 32.73 2gjg s ARG 41 CO -0.00 0.43 1.32 0.77 -0.68 0.00 0.00 175.30 177.13 2gjg h SER 42 N 5.85 0.92 -3.62 0.23 0.02 -1.96 -3.42 113.55 111.57 2gjg h SER 42 Ca -0.36 -0.60 -0.51 0.00 -0.84 0.00 0.00 61.79 59.47 2gjg h SER 42 Cb 1.15 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 2gjg h SER 42 CO 0.47 1.40 0.27 -1.00 -1.14 0.00 0.00 176.83 176.84 2gjg s HIS 43 N -3.75 3.92 0.39 3.45 3.76 -1.26 -5.07 115.29 116.73 2gjg s HIS 43 Ca -0.10 1.77 0.08 0.00 -0.15 0.00 0.00 55.06 56.65 2gjg s HIS 43 Cb 0.09 -2.90 -0.01 0.00 1.11 0.00 0.00 32.58 30.87 2gjg s HIS 43 CO 0.90 0.43 0.47 1.03 -0.85 0.00 0.00 174.74 176.72 2gjg s ARG 44 N -0.93 2.81 0.07 1.40 0.52 -1.26 -4.68 118.95 116.88 2gjg s ARG 44 Ca 0.40 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.34 2gjg s ARG 44 Cb -0.24 -2.65 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 2gjg s ARG 44 CO 0.29 -0.13 -0.04 -0.06 0.02 0.00 0.00 175.30 175.38 2gjg s PHE 45 N -2.33 0.68 0.14 -0.53 0.08 -0.57 -4.81 117.98 110.64 2gjg s PHE 45 Ca 0.49 -1.01 0.05 0.00 0.12 0.00 0.00 56.93 56.58 2gjg s PHE 45 Cb -0.08 -0.44 -0.04 0.00 -0.57 0.00 0.00 43.02 41.89 2gjg s PHE 45 CO 0.31 -0.29 0.08 -0.65 -0.10 0.00 0.00 175.22 174.56 2gjg s GLN 46 N -3.89 2.75 0.34 0.44 -0.21 -0.67 0.88 119.66 119.30 2gjg s GLN 46 Ca 0.09 -0.88 -0.12 0.00 0.02 0.00 0.00 55.36 54.48 2gjg s GLN 46 Cb 0.07 -2.59 0.05 0.00 1.00 0.00 0.00 33.01 31.54 2gjg s GLN 46 CO -0.08 0.50 0.65 0.45 -2.12 0.00 0.00 175.29 174.70 2gjg n SER 47 N -0.04 -1.90 -4.18 5.90 2.88 -1.03 -1.76 113.62 113.48 2gjg n SER 47 Ca -0.09 -2.41 -0.11 0.00 -1.33 0.00 0.00 58.87 54.93 2gjg n SER 47 Cb 0.54 3.19 -0.10 0.00 -0.75 0.00 0.00 64.21 67.09 2gjg n SER 47 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2gjg s TYR 48 N -3.11 1.02 -0.25 0.66 2.02 -1.26 -0.64 117.35 115.79 2gjg s TYR 48 Ca 0.15 -1.24 -0.20 0.00 -0.37 0.00 0.00 57.07 55.41 2gjg s TYR 48 Cb -0.04 -0.55 -0.02 0.00 -0.40 0.00 0.00 41.96 40.95 2gjg s TYR 48 CO 0.11 -0.50 0.60 0.08 -1.57 0.00 0.00 175.55 174.27 2gjg s VAL 49 N -4.01 5.01 -0.72 0.71 1.01 -1.26 -0.33 120.40 120.80 2gjg s VAL 49 Ca 0.29 1.07 0.07 0.00 0.00 0.00 0.00 61.98 63.41 2gjg s VAL 49 Cb 0.07 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.56 2gjg s VAL 49 CO 0.05 0.05 0.59 1.33 0.00 0.00 0.00 175.10 177.12 2gjg n VAL 50 N 5.15 0.00 -3.64 2.92 0.24 -0.24 -4.25 118.33 118.52 2gjg n VAL 50 Ca -0.02 -0.45 -0.08 0.00 -2.04 0.00 0.00 64.34 61.75 2gjg n VAL 50 Cb 0.49 1.11 -0.07 0.00 -1.47 0.00 0.00 33.84 33.90 2gjg n VAL 50 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2gjg s HIS 51 N -0.92 -0.50 -0.04 6.34 2.46 -1.13 -4.95 115.29 116.55 2gjg s HIS 51 Ca 0.07 1.19 -0.01 0.00 0.47 0.00 0.00 55.06 56.77 2gjg s HIS 51 Cb 0.06 0.36 0.03 0.00 -0.13 0.00 0.00 32.58 32.90 2gjg s HIS 51 CO 0.14 -0.24 0.07 0.08 -2.47 0.00 0.00 174.74 172.32 2gjg s VAL 52 N 0.39 -0.10 -0.26 0.89 1.01 -1.26 -1.42 120.40 119.65 2gjg s VAL 52 Ca 0.01 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 2gjg s VAL 52 Cb -0.05 -0.15 0.10 0.00 0.00 0.00 0.00 36.38 36.28 2gjg s VAL 52 CO -0.07 0.12 0.17 -0.62 0.00 0.00 0.00 175.10 174.70 2gjg s ASP 53 N 1.60 2.76 0.27 3.32 2.15 -0.42 -5.02 116.67 121.33 2gjg s ASP 53 Ca -0.03 -0.98 0.06 0.00 0.43 0.00 0.00 52.55 52.04 2gjg s ASP 53 Cb -0.12 -0.08 0.37 0.00 -0.30 0.00 0.00 42.92 42.78 2gjg s ASP 53 CO -0.04 -0.41 1.64 -0.09 -0.17 0.00 0.00 175.17 176.10 2gjg h ARG 54 N 8.37 0.21 -0.55 4.34 2.43 -1.97 -0.31 114.38 126.90 2gjg h ARG 54 Ca -0.18 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2gjg h ARG 54 Cb 1.06 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 2gjg h ARG 54 CO 0.38 0.67 0.35 0.93 -1.51 0.00 0.00 179.97 180.79 2gjg h GLU 55 N 0.17 0.74 -0.00 0.20 5.08 -1.97 -2.97 114.58 115.83 2gjg h GLU 55 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2gjg h GLU 55 Cb 0.96 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2gjg h GLU 55 CO 0.08 0.52 -0.51 -1.13 -1.00 0.00 0.00 179.01 176.97 2gjg n SER 56 N -4.67 0.51 -3.13 1.42 3.41 -1.20 -4.98 113.62 104.98 2gjg n SER 56 Ca 0.03 -0.27 -0.14 0.00 -0.26 0.00 0.00 58.87 58.23 2gjg n SER 56 Cb 0.04 0.27 0.07 0.00 -0.26 0.00 0.00 64.21 64.33 2gjg n SER 56 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2gjg n ASN 57 N -1.50 -4.96 -4.09 4.04 5.15 -0.22 -5.02 115.26 108.67 2gjg n ASN 57 Ca 0.06 -0.62 -0.27 0.00 -0.60 0.00 0.00 54.58 53.14 2gjg n ASN 57 Cb 0.33 -4.77 -0.17 0.00 -0.53 0.00 0.00 39.78 34.65 2gjg n ASN 57 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2gjg s THR 58 N -3.35 1.43 -0.13 -0.44 2.01 -0.62 -3.75 115.64 110.79 2gjg s THR 58 Ca 0.29 -0.65 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 2gjg s THR 58 Cb -0.04 -1.27 0.03 0.00 0.01 0.00 0.00 72.50 71.23 2gjg s THR 58 CO 0.67 0.42 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.73 2gjg s LEU 59 N 0.57 1.30 -0.12 4.42 2.96 0.17 -1.30 118.68 126.68 2gjg s LEU 59 Ca -0.16 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.35 2gjg s LEU 59 Cb -0.16 -0.86 -0.02 0.00 0.50 0.00 0.00 46.19 45.64 2gjg s LEU 59 CO 0.05 -0.14 -0.09 0.00 -1.32 0.00 0.00 176.35 174.86 2gjg s ALA 60 N 1.69 2.81 0.18 5.97 0.00 -0.51 -2.37 121.76 129.53 2gjg s ALA 60 Ca 0.04 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.17 2gjg s ALA 60 Cb -0.13 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 2gjg s ALA 60 CO -0.08 0.34 0.18 -0.51 0.00 0.00 0.00 175.76 175.69 2gjg s LEU 61 N 0.00 3.92 0.70 0.00 1.43 -0.22 -1.08 118.68 123.43 2gjg s LEU 61 Ca -0.02 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 2gjg s LEU 61 Cb -0.14 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.58 2gjg s LEU 61 CO 0.03 0.04 1.06 -0.62 0.23 0.00 0.00 176.35 177.10 2gjg s ASP 62 N -3.28 5.32 0.00 2.29 2.15 0.55 -1.19 116.67 122.52 2gjg s ASP 62 Ca 0.32 1.61 0.00 0.00 0.43 0.00 0.00 52.55 54.91 2gjg s ASP 62 Cb -0.10 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 2gjg s ASP 62 CO 0.25 -1.48 0.00 1.21 -0.17 0.00 0.00 175.17 174.97 2gjg n GLU 63 N -3.15 3.14 -3.23 4.34 2.13 -1.12 -4.56 120.64 118.18 2gjg n GLU 63 Ca 0.08 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.93 2gjg n GLU 63 Cb 0.54 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.22 2gjg n GLU 63 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2gjg s ILE 65 N 0.00 -0.56 0.86 6.31 1.01 -0.72 -4.69 121.20 123.41 2gjg s ILE 65 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 2gjg s ILE 65 Cb 0.00 -1.00 0.11 0.00 0.01 0.00 0.00 42.46 41.58 2gjg s ILE 65 CO 0.00 0.00 1.13 -2.84 0.00 0.00 0.00 174.94 173.23 2gjg s PRO 66 N 2.80 1.46 0.34 2.79 0.02 -1.26 -1.67 135.00 139.47 2gjg s PRO 66 Ca 0.04 1.45 0.25 0.00 0.02 0.00 0.00 61.00 62.76 2gjg s PRO 66 Cb -0.10 -1.78 1.19 0.00 0.02 0.00 0.00 34.50 33.82 2gjg s PRO 66 CO -0.15 -2.29 1.77 0.00 -0.33 0.00 0.00 177.00 175.99 2gjg h ARG 67 N -1.56 0.00 0.00 5.54 -0.00 -1.98 -2.36 114.38 114.02 2gjg h ARG 67 Ca -0.43 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.05 2gjg h ARG 67 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.23 2gjg h ARG 67 CO 0.45 0.00 -0.00 0.38 0.00 0.00 0.00 179.97 180.80 2gjg h ASP 68 N 0.00 0.00 -0.15 7.04 3.04 -2.02 -2.58 116.42 121.74 2gjg h ASP 68 Ca 0.00 0.00 0.04 0.00 -3.24 0.00 0.00 57.03 53.83 2gjg h ASP 68 Cb 0.23 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.51 2gjg h ASP 68 CO 0.00 0.00 0.18 1.23 -2.04 0.00 0.00 179.24 178.61 2gjg h GLY 69 N 1.54 0.00 1.86 7.15 0.00 -1.80 -2.86 103.07 108.95 2gjg h GLY 69 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2gjg h GLY 69 CO 0.00 0.00 0.09 -2.09 0.00 0.00 0.00 176.54 174.54 2gjg h GLU 70 N 0.00 0.15 -0.09 4.80 4.81 -1.69 -1.50 114.58 121.06 2gjg h GLU 70 Ca 0.07 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2gjg h GLU 70 Cb 0.43 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2gjg h GLU 70 CO -0.00 0.10 0.08 1.57 -0.73 0.00 0.00 179.01 180.03 2gjg h LYS 71 N 0.15 0.00 0.00 1.92 2.10 -1.74 -0.37 116.57 118.64 2gjg h LYS 71 Ca 0.05 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.49 2gjg h LYS 71 Cb 0.01 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.31 2gjg h LYS 71 CO -0.01 0.00 -0.97 0.74 -2.00 0.00 0.00 179.45 177.21 2gjg h PHE 72 N 0.00 0.00 -0.17 0.07 0.04 -1.49 -2.08 116.94 113.30 2gjg h PHE 72 Ca 0.04 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 2gjg h PHE 72 Cb 0.21 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 2gjg h PHE 72 CO 0.00 0.97 -0.08 0.82 -0.60 0.00 0.00 178.31 179.42 2gjg h ILE 73 N 0.00 1.31 -1.00 -0.55 1.08 -1.43 -2.38 117.51 114.54 2gjg h ILE 73 Ca -0.01 -1.12 0.20 0.00 -0.39 0.00 0.00 64.86 63.54 2gjg h ILE 73 Cb 1.73 1.68 -0.11 0.00 -3.07 0.00 0.00 36.82 37.05 2gjg h ILE 73 CO 0.13 0.33 0.60 -0.33 -0.69 0.00 0.00 178.15 178.19 2gjg h GLU 74 N 0.04 0.69 0.00 2.37 5.08 -1.03 -0.92 114.58 120.82 2gjg h GLU 74 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2gjg h GLU 74 Cb 0.55 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2gjg h GLU 74 CO 0.02 0.45 0.00 0.09 -1.00 0.00 0.00 179.01 178.58 2gjg n ASN 75 N -4.81 0.21 -0.35 1.42 3.02 -0.79 -4.90 115.26 109.07 2gjg n ASN 75 Ca 0.24 0.53 -0.02 0.00 -0.03 0.00 0.00 54.58 55.30 2gjg n ASN 75 Cb 0.62 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 2gjg n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gjg n GLY 76 N 0.79 0.33 3.84 7.41 0.00 -0.35 -5.01 105.19 112.21 2gjg n GLY 76 Ca 0.05 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 2gjg n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gjg s GLU 77 N -4.24 4.07 0.18 1.61 2.02 -0.92 -4.41 118.70 117.00 2gjg s GLU 77 Ca 0.01 0.84 -0.25 0.00 0.02 0.00 0.00 54.97 55.59 2gjg s GLU 77 Cb -0.00 -2.31 -0.08 0.00 0.10 0.00 0.00 34.13 31.84 2gjg s GLU 77 CO 0.01 0.04 0.78 -1.01 0.02 0.00 0.00 175.26 175.10 2gjg s HIS 78 N -2.14 3.88 0.07 1.61 3.76 -1.26 -4.77 115.29 116.44 2gjg s HIS 78 Ca 0.57 1.62 -0.10 0.00 -0.15 0.00 0.00 55.06 57.01 2gjg s HIS 78 Cb -0.10 -2.76 0.00 0.00 1.11 0.00 0.00 32.58 30.83 2gjg s HIS 78 CO 0.18 0.49 0.21 -0.59 -0.85 0.00 0.00 174.74 174.17 2gjg s PHE 79 N -1.20 0.08 -0.01 1.40 -0.71 -0.54 -0.47 117.98 116.53 2gjg s PHE 79 Ca 0.37 -0.40 -0.05 0.00 -1.04 0.00 0.00 56.93 55.81 2gjg s PHE 79 Cb -0.22 -0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.51 2gjg s PHE 79 CO 0.26 -0.50 0.22 0.50 -1.34 0.00 0.00 175.22 174.36 2gjg s ARG 80 N -3.23 3.50 0.08 1.99 3.52 0.38 0.18 118.95 125.36 2gjg s ARG 80 Ca 0.00 -0.20 0.10 0.00 -0.13 0.00 0.00 55.73 55.50 2gjg s ARG 80 Cb 0.02 -3.09 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 2gjg s ARG 80 CO -0.08 0.67 -0.26 0.08 -0.81 0.00 0.00 175.30 174.91 2gjg s VAL 81 N -1.29 2.10 -0.22 7.11 1.01 0.11 -1.79 120.40 127.43 2gjg s VAL 81 Ca 0.27 -1.50 -0.09 0.00 0.00 0.00 0.00 61.98 60.65 2gjg s VAL 81 Cb -0.13 -1.83 0.09 0.00 0.00 0.00 0.00 36.38 34.51 2gjg s VAL 81 CO 0.16 0.23 0.50 -0.70 0.00 0.00 0.00 175.10 175.29 2gjg s GLU 82 N -1.54 0.44 0.34 2.72 2.12 -0.98 -1.15 118.70 120.65 2gjg s GLU 82 Ca 0.12 1.07 0.01 0.00 0.36 0.00 0.00 54.97 56.54 2gjg s GLU 82 Cb -0.10 0.31 -0.01 0.00 0.26 0.00 0.00 34.13 34.59 2gjg s GLU 82 CO 0.03 -0.20 0.39 0.20 -0.54 0.00 0.00 175.26 175.14 2gjg s GLY 83 N 2.21 1.83 -0.06 -1.50 0.00 -0.15 -0.94 107.32 108.70 2gjg s GLY 83 Ca -0.06 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.92 2gjg s GLY 83 CO -0.15 -1.20 -0.03 -1.36 0.00 0.00 0.00 173.10 170.36 2gjg s PHE 84 N -3.23 0.80 -0.16 1.90 0.40 -1.26 -0.36 117.98 116.07 2gjg s PHE 84 Ca 0.35 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.43 2gjg s PHE 84 Cb 0.01 -0.77 0.03 0.00 0.51 0.00 0.00 43.02 42.79 2gjg s PHE 84 CO 0.23 -0.27 -0.14 -1.58 0.70 0.00 0.00 175.22 174.16 2gjg s HIS 85 N 1.34 2.30 -1.64 0.36 2.46 -0.34 -4.71 115.29 115.06 2gjg s HIS 85 Ca -0.04 -1.35 -0.02 0.00 0.47 0.00 0.00 55.06 54.12 2gjg s HIS 85 Cb -0.13 -1.65 0.00 0.00 -0.13 0.00 0.00 32.58 30.67 2gjg s HIS 85 CO -0.02 -0.70 0.23 -0.25 -2.47 0.00 0.00 174.74 171.52 2gjg n ASP 86 N 4.74 -5.78 0.00 9.88 9.92 -1.26 -2.28 116.55 131.77 2gjg n ASP 86 Ca -0.17 -0.11 0.00 0.00 -0.53 0.00 0.00 54.79 53.98 2gjg n ASP 86 Cb 0.49 -4.76 0.00 0.00 -0.64 0.00 0.00 41.12 36.21 2gjg n ASP 86 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2gjg n GLY 87 N -1.18 1.01 3.66 0.44 0.00 -1.26 -5.05 105.19 102.81 2gjg n GLY 87 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 2gjg n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gjg s VAL 88 N -2.67 5.21 -0.05 1.61 1.01 -0.97 -4.62 120.40 119.93 2gjg s VAL 88 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 2gjg s VAL 88 Cb 0.00 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 2gjg s VAL 88 CO 0.00 0.39 1.44 -0.60 0.00 0.00 0.00 175.10 176.33 2gjg s ARG 89 N 0.79 4.24 -0.14 2.72 3.52 -0.35 -1.20 118.95 128.54 2gjg s ARG 89 Ca 0.07 1.97 0.01 0.00 -0.13 0.00 0.00 55.73 57.64 2gjg s ARG 89 Cb -0.13 -3.72 -0.00 0.00 -1.56 0.00 0.00 34.95 29.54 2gjg s ARG 89 CO 0.02 -0.68 -0.16 0.42 -0.81 0.00 0.00 175.30 174.10 2gjg s ILE 90 N 3.05 2.68 0.03 4.11 1.01 0.51 -1.37 121.20 131.22 2gjg s ILE 90 Ca 0.65 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 2gjg s ILE 90 Cb -0.30 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 2gjg s ILE 90 CO 0.25 0.52 -0.00 0.00 0.00 0.00 0.00 174.94 175.71 2gjg s ALA 91 N 0.65 0.19 0.33 9.38 0.00 -0.97 -0.98 121.76 130.35 2gjg s ALA 91 Ca -0.08 -0.74 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 2gjg s ALA 91 Cb -0.16 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.19 2gjg s ALA 91 CO 0.02 -0.24 0.70 1.67 0.00 0.00 0.00 175.76 177.91 2gjg s TRP 92 N -2.32 0.14 -0.00 0.00 -2.14 -0.30 -1.01 118.94 113.30 2gjg s TRP 92 Ca -0.08 -0.67 0.06 0.00 2.66 0.00 0.00 56.10 58.07 2gjg s TRP 92 Cb -0.04 0.63 -0.03 0.00 -3.10 0.00 0.00 33.47 30.94 2gjg s TRP 92 CO -0.04 -1.36 -0.17 -1.21 -2.66 0.00 0.00 176.95 171.51 2gjg s GLU 93 N -3.10 2.26 -0.36 3.25 2.02 -1.26 0.09 118.70 121.60 2gjg s GLU 93 Ca 0.16 -0.85 -0.03 0.00 0.02 0.00 0.00 54.97 54.27 2gjg s GLU 93 Cb -0.04 -2.25 0.08 0.00 0.10 0.00 0.00 34.13 32.01 2gjg s GLU 93 CO 0.11 0.58 0.12 0.00 0.02 0.00 0.00 175.26 176.09 2gjg n ASP 95 N 4.64 5.82 -3.75 0.00 8.00 -1.26 -1.47 116.55 128.53 2gjg n ASP 95 Ca -0.07 -3.77 -0.08 0.00 0.71 0.00 0.00 54.79 51.58 2gjg n ASP 95 Cb 0.42 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 40.81 2gjg n ASP 95 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2gjg s HIS 96 N -3.74 0.09 0.14 1.24 -3.43 -1.26 -4.99 115.29 103.34 2gjg s HIS 96 Ca 0.50 -0.53 -0.23 0.00 -0.80 0.00 0.00 55.06 54.00 2gjg s HIS 96 Cb 0.42 0.52 -0.08 0.00 -1.43 0.00 0.00 32.58 32.02 2gjg s HIS 96 CO -0.25 -1.20 0.70 0.00 -2.00 0.00 0.00 174.74 171.99 2gjg s ALA 97 N -3.69 3.49 0.38 -1.38 0.00 -1.26 -4.74 121.76 114.55 2gjg s ALA 97 Ca 0.16 0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.44 2gjg s ALA 97 Cb -0.04 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2gjg s ALA 97 CO 0.09 0.33 0.36 -0.51 0.00 0.00 0.00 175.76 176.03 2gjg s LEU 98 N -1.21 3.51 -0.19 0.00 1.43 -1.26 -4.94 118.68 116.02 2gjg s LEU 98 Ca 0.34 -0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 52.75 2gjg s LEU 98 Cb -0.21 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 2gjg s LEU 98 CO 0.23 -0.53 0.11 -0.75 0.23 0.00 0.00 176.35 175.64 2gjg s LYS 99 N -4.09 4.12 -0.21 1.70 2.20 0.55 -4.83 119.74 119.17 2gjg s LYS 99 Ca 0.46 -0.26 -0.23 0.00 -0.36 0.00 0.00 55.97 55.58 2gjg s LYS 99 Cb -0.05 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 2gjg s LYS 99 CO 0.28 0.30 0.73 0.42 -0.36 0.00 0.00 175.35 176.72 2gjg s ILE 100 N 0.34 4.94 0.00 5.43 1.01 -1.26 -0.51 121.20 131.14 2gjg s ILE 100 Ca 0.07 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.10 2gjg s ILE 100 Cb -0.11 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.32 2gjg s ILE 100 CO -0.01 0.04 0.00 -0.24 0.00 0.00 0.00 174.94 174.72 2gjg n SER 101 N 5.40 0.00 -4.19 3.58 2.88 -0.68 -5.01 113.62 115.59 2gjg n SER 101 Ca 0.02 -0.92 -0.23 0.00 -1.33 0.00 0.00 58.87 56.41 2gjg n SER 101 Cb 0.49 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.81 2gjg n SER 101 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2gjg s GLU 102 N -1.75 1.18 -0.02 -1.46 2.02 -1.26 -1.68 118.70 115.73 2gjg s GLU 102 Ca 0.00 -0.82 0.02 0.00 0.02 0.00 0.00 54.97 54.19 2gjg s GLU 102 Cb 0.00 -1.24 0.00 0.00 0.10 0.00 0.00 34.13 33.00 2gjg s GLU 102 CO 0.00 0.32 -0.05 0.54 0.02 0.00 0.00 175.26 176.08 2gjg s VAL 103 N -0.77 0.46 -1.39 2.63 0.11 -0.37 -4.89 120.40 116.18 2gjg s VAL 103 Ca 0.05 -0.20 -0.08 0.00 -2.93 0.00 0.00 61.98 58.82 2gjg s VAL 103 Cb -0.08 -0.43 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 2gjg s VAL 103 CO 0.01 0.16 0.38 -0.67 -3.33 0.00 0.00 175.10 171.64 2gjg n ASP 104 N 3.29 -1.16 0.00 3.54 2.03 -1.26 -1.89 116.55 121.10 2gjg n ASP 104 Ca -0.17 -1.14 0.00 0.00 0.52 0.00 0.00 54.79 54.00 2gjg n ASP 104 Cb 0.56 -2.41 0.00 0.00 -0.72 0.00 0.00 41.12 38.55 2gjg n ASP 104 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gjg n GLY 105 N -2.16 0.37 3.32 0.27 0.00 -1.26 -4.99 105.19 100.73 2gjg n GLY 105 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2gjg n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gjg s HIS 106 N -2.02 2.27 0.38 1.61 3.76 -0.79 -5.09 115.29 115.41 2gjg s HIS 106 Ca 0.00 -0.42 -0.26 0.00 -0.15 0.00 0.00 55.06 54.23 2gjg s HIS 106 Cb 0.00 -1.41 -0.09 0.00 1.11 0.00 0.00 32.58 32.19 2gjg s HIS 106 CO 0.00 0.04 1.24 0.50 -0.85 0.00 0.00 174.74 175.67 2gjg s ARG 107 N -0.91 4.10 0.18 1.40 3.52 -1.26 -1.24 118.95 124.74 2gjg s ARG 107 Ca 0.11 2.02 -0.09 0.00 -0.13 0.00 0.00 55.73 57.64 2gjg s ARG 107 Cb -0.10 -2.80 -0.01 0.00 -1.56 0.00 0.00 34.95 30.48 2gjg s ARG 107 CO 0.01 -0.33 0.29 0.00 -0.81 0.00 0.00 175.30 174.46 2gjg s TYR 109 N -3.99 2.30 0.21 0.00 2.02 -0.33 -1.69 117.35 115.87 2gjg s TYR 109 Ca 0.19 -0.95 0.08 0.00 -0.37 0.00 0.00 57.07 56.02 2gjg s TYR 109 Cb 0.03 -1.56 -0.05 0.00 -0.40 0.00 0.00 41.96 39.98 2gjg s TYR 109 CO 0.02 -0.40 -0.14 -1.54 -1.57 0.00 0.00 175.55 171.91 2gjg s SER 110 N 0.46 2.62 0.01 2.29 1.04 0.33 -1.05 113.70 119.39 2gjg s SER 110 Ca -0.17 -1.03 -0.12 0.00 0.48 0.00 0.00 55.95 55.11 2gjg s SER 110 Cb -0.17 -0.14 0.04 0.00 0.10 0.00 0.00 66.02 65.84 2gjg s SER 110 CO 0.07 -0.17 0.54 0.61 0.98 0.00 0.00 173.24 175.26 2gjg n GLY 111 N -0.40 0.55 3.77 7.32 0.00 -1.00 -0.33 105.19 115.09 2gjg n GLY 111 Ca -0.08 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 2gjg n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gjg s PRO 112 N -2.01 3.08 0.73 1.61 0.04 -1.25 0.44 135.00 137.65 2gjg s PRO 112 Ca 0.12 1.62 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 2gjg s PRO 112 Cb -0.00 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.59 2gjg s PRO 112 CO 0.00 -1.07 1.07 1.28 0.04 0.00 0.00 177.00 178.32 2gjg n LEU 113 N -1.68 4.07 -4.78 -3.56 4.77 -1.25 -4.58 117.00 109.99 2gjg n LEU 113 Ca 0.12 0.67 -0.36 0.00 -0.03 0.00 0.00 56.01 56.41 2gjg n LEU 113 Cb 0.51 -1.45 -0.01 0.00 -2.33 0.00 0.00 43.42 40.13 2gjg n LEU 113 CO 0.44 -1.81 0.78 -2.16 -1.33 0.00 0.00 177.39 173.31 2gjg s PRO 114 N -3.51 3.67 0.00 3.23 0.04 -1.26 -4.93 135.00 132.23 2gjg s PRO 114 Ca 0.75 1.61 0.28 0.00 0.04 0.00 0.00 61.00 63.67 2gjg s PRO 114 Cb -0.34 -2.22 1.09 0.00 0.04 0.00 0.00 34.50 33.07 2gjg s PRO 114 CO 0.49 -0.58 1.77 1.04 0.04 0.00 0.00 177.00 179.75 2gjg n GLN 115 N -0.82 1.20 -3.69 4.56 6.02 -1.26 -4.83 117.38 118.56 2gjg n GLN 115 Ca 0.09 -0.61 -0.10 0.00 -0.01 0.00 0.00 57.00 56.37 2gjg n GLN 115 Cb 0.50 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.17 2gjg n GLN 115 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2gjg s GLU 116 N -2.22 0.42 0.01 -1.09 2.12 -1.26 -4.58 118.70 112.10 2gjg s GLU 116 Ca 0.34 0.85 0.04 0.00 0.36 0.00 0.00 54.97 56.56 2gjg s GLU 116 Cb 0.20 0.01 -0.02 0.00 0.26 0.00 0.00 34.13 34.59 2gjg s GLU 116 CO 0.41 -0.16 -0.14 0.08 -0.54 0.00 0.00 175.26 174.92 2gjg s VAL 117 N 1.48 1.07 0.14 3.70 1.01 -0.87 -4.61 120.40 122.32 2gjg s VAL 117 Ca -0.09 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 2gjg s VAL 117 Cb -0.08 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2gjg s VAL 117 CO -0.14 0.16 0.31 0.42 0.00 0.00 0.00 175.10 175.86 2gjg s THR 118 N -0.56 5.28 -0.17 3.92 -4.23 -0.18 -0.06 115.64 119.63 2gjg s THR 118 Ca 0.03 -0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 60.10 2gjg s THR 118 Cb -0.06 -3.69 0.06 0.00 1.34 0.00 0.00 72.50 70.14 2gjg s THR 118 CO 0.00 -0.04 0.07 -0.47 -0.54 0.00 0.00 174.62 173.65 2gjg s TYR 119 N -1.71 0.42 -0.10 3.99 6.14 0.53 -2.30 117.35 124.31 2gjg s TYR 119 Ca 0.37 -0.45 -0.01 0.00 0.64 0.00 0.00 57.07 57.61 2gjg s TYR 119 Cb -0.12 -0.78 0.03 0.00 0.42 0.00 0.00 41.96 41.52 2gjg s TYR 119 CO 0.28 -0.53 -0.01 -1.58 0.64 0.00 0.00 175.55 174.35 2gjg s HIS 120 N 2.06 0.86 -0.36 4.97 2.46 -0.47 0.00 115.29 124.81 2gjg s HIS 120 Ca 0.01 -0.36 -0.16 0.00 0.47 0.00 0.00 55.06 55.02 2gjg s HIS 120 Cb -0.16 -0.91 -0.00 0.00 -0.13 0.00 0.00 32.58 31.38 2gjg s HIS 120 CO -0.09 -0.40 0.40 -1.14 -2.47 0.00 0.00 174.74 171.05 2gjg s GLN 121 N 1.91 3.45 -0.08 2.88 2.00 -1.26 -1.21 119.66 127.35 2gjg s GLN 121 Ca 0.04 -0.47 0.14 0.00 -2.00 0.00 0.00 55.36 53.07 2gjg s GLN 121 Cb -0.13 -3.85 0.44 0.00 0.80 0.00 0.00 33.01 30.27 2gjg s GLN 121 CO -0.06 -0.63 1.36 0.54 -0.50 0.00 0.00 175.29 176.00 2gjg n ARG 122 N 5.49 2.99 0.03 1.67 1.74 -1.26 -4.45 116.66 122.88 2gjg n ARG 122 Ca -0.08 -2.45 -0.12 0.00 -0.77 0.00 0.00 57.85 54.44 2gjg n ARG 122 Cb 0.49 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 2gjg n ARG 122 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2gjg h ARG 123 N 2.16 -0.02 -0.89 5.56 2.43 -1.93 -2.26 114.38 119.44 2gjg h ARG 123 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2gjg h ARG 123 Cb 1.08 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.59 2gjg h ARG 123 CO 0.11 -0.01 0.59 -0.91 -1.51 0.00 0.00 179.97 178.24 2gjg h ASN 124 N -0.02 1.00 -0.53 -3.80 2.35 -1.88 -1.14 115.58 111.56 2gjg h ASN 124 Ca 0.01 -0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.82 2gjg h ASN 124 Cb 0.03 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.10 2gjg h ASN 124 CO -0.03 0.71 0.17 0.00 -1.65 0.00 0.00 177.43 176.64 2gjg h ALA 125 N 1.34 0.65 -0.44 -0.83 0.00 -1.82 -1.44 119.26 116.72 2gjg h ALA 125 Ca 0.34 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 2gjg h ALA 125 Cb -0.09 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2gjg h ALA 125 CO -0.09 -0.23 0.09 0.35 0.00 0.00 0.00 179.25 179.37 2gjg h PHE 126 N 0.34 0.75 -0.69 0.00 3.57 -0.72 0.25 116.94 120.44 2gjg h PHE 126 Ca 0.26 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2gjg h PHE 126 Cb 0.31 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2gjg h PHE 126 CO -0.18 0.71 0.31 0.00 -2.23 0.00 0.00 178.31 176.92 2gjg h ARG 127 N 0.58 1.02 -0.06 1.11 3.08 -1.15 0.93 114.38 119.89 2gjg h ARG 127 Ca 0.14 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2gjg h ARG 127 Cb 0.34 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 2gjg h ARG 127 CO 0.00 0.82 -0.09 0.00 -1.07 0.00 0.00 179.97 179.63 2gjg h ALA 128 N 1.14 -0.05 -0.63 0.04 0.00 -0.88 -0.76 119.26 118.13 2gjg h ALA 128 Ca 0.24 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2gjg h ALA 128 Cb 0.16 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2gjg h ALA 128 CO -0.03 -0.56 0.42 0.00 0.00 0.00 0.00 179.25 179.08 2gjg h ALA 129 N 0.91 1.60 0.00 0.00 0.00 -0.40 0.16 119.26 121.52 2gjg h ALA 129 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2gjg h ALA 129 Cb 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2gjg h ALA 129 CO -0.14 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.75 2gjg n LEU 130 N -4.45 0.00 -3.24 0.00 4.77 0.27 -4.89 117.00 109.46 2gjg n LEU 130 Ca 0.07 0.32 -0.23 0.00 -0.03 0.00 0.00 56.01 56.14 2gjg n LEU 130 Cb 0.08 -0.32 0.06 0.00 -2.33 0.00 0.00 43.42 40.91 2gjg n LEU 130 CO 0.35 -0.14 0.12 0.29 -1.33 0.00 0.00 177.39 176.69 2gjg n LYS 131 N -1.32 -6.36 0.00 3.23 5.02 0.55 -4.89 118.16 114.40 2gjg n LYS 131 Ca 0.07 0.85 0.10 0.00 -2.02 0.00 0.00 58.31 57.32 2gjg n LYS 131 Cb 0.14 -5.76 -0.05 0.00 -0.02 0.00 0.00 35.03 29.34 2gjg n LYS 131 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2gjg n LEU 132 N -4.44 1.05 -3.89 -0.35 4.77 -0.34 -5.00 117.00 108.79 2gjg n LEU 132 Ca -0.05 -0.46 -0.08 0.00 -0.03 0.00 0.00 56.01 55.39 2gjg n LEU 132 Cb 0.59 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 2gjg n LEU 132 CO 0.55 0.25 0.40 -0.94 -1.33 0.00 0.00 177.39 176.31 2gjg s SER 133 N -2.94 -0.13 -1.45 -1.43 1.04 -1.20 -4.96 113.70 102.64 2gjg s SER 133 Ca 0.10 -0.81 -0.08 0.00 0.48 0.00 0.00 55.95 55.63 2gjg s SER 133 Cb 0.16 0.71 0.04 0.00 0.10 0.00 0.00 66.02 67.04 2gjg s SER 133 CO 0.81 -1.35 0.71 0.00 0.98 0.00 0.00 173.24 174.38 2gjg n GLN 134 N -0.46 -4.90 -3.27 4.02 1.13 -1.26 -4.40 117.38 108.24 2gjg n GLN 134 Ca -0.04 0.71 -0.39 0.00 -1.94 0.00 0.00 57.00 55.35 2gjg n GLN 134 Cb 0.60 -5.56 -0.06 0.00 0.11 0.00 0.00 30.24 25.34 2gjg n GLN 134 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2gjg s LEU 135 N -6.81 4.42 0.24 1.08 1.43 -1.26 -5.03 118.68 112.74 2gjg s LEU 135 Ca 0.43 1.10 -0.31 0.00 -1.03 0.00 0.00 54.13 54.31 2gjg s LEU 135 Cb -0.21 -2.84 -0.12 0.00 0.03 0.00 0.00 46.19 43.05 2gjg s LEU 135 CO 0.53 0.14 1.61 0.52 0.23 0.00 0.00 176.35 179.38 2gjg n VAL 136 N 2.62 0.50 -2.57 -1.59 0.31 -1.26 -4.85 118.33 111.50 2gjg n VAL 136 Ca -0.08 -0.13 -0.41 0.00 -0.01 0.00 0.00 64.34 63.71 2gjg n VAL 136 Cb 0.51 -1.83 -0.04 0.00 -0.91 0.00 0.00 33.84 31.57 2gjg n VAL 136 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2gjg s ASP 137 N 0.76 7.29 0.18 4.52 1.01 -1.26 -1.17 116.67 128.00 2gjg s ASP 137 Ca 0.71 1.96 0.09 0.00 0.71 0.00 0.00 52.55 56.02 2gjg s ASP 137 Cb -0.55 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 40.75 2gjg s ASP 137 CO 0.41 -0.24 -0.18 0.27 0.21 0.00 0.00 175.17 175.65 2gjg s ILE 138 N 0.19 1.84 -0.05 0.77 -5.25 -0.74 0.06 121.20 118.02 2gjg s ILE 138 Ca 0.51 -1.99 0.06 0.00 -0.99 0.00 0.00 60.65 58.24 2gjg s ILE 138 Cb -0.27 -1.90 -0.01 0.00 2.95 0.00 0.00 42.46 43.23 2gjg s ILE 138 CO 0.32 -0.37 -0.24 -0.63 -1.79 0.00 0.00 174.94 172.23 2gjg s ILE 139 N -2.24 1.96 -0.25 8.37 -1.09 0.28 -2.01 121.20 126.22 2gjg s ILE 139 Ca 0.18 -1.02 0.02 0.00 -2.23 0.00 0.00 60.65 57.60 2gjg s ILE 139 Cb -0.05 -1.65 0.06 0.00 -1.58 0.00 0.00 42.46 39.24 2gjg s ILE 139 CO 0.07 0.55 -0.08 -0.22 -1.23 0.00 0.00 174.94 174.03 2gjg s LEU 140 N -0.20 3.08 0.09 2.97 2.96 -1.26 -1.00 118.68 125.33 2gjg s LEU 140 Ca -0.02 -1.33 -0.01 0.00 -0.22 0.00 0.00 54.13 52.55 2gjg s LEU 140 Cb -0.13 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 2gjg s LEU 140 CO 0.03 -0.22 0.02 -0.62 -1.32 0.00 0.00 176.35 174.23 2gjg s ASP 141 N 1.23 0.39 0.00 3.68 2.15 0.01 -4.84 116.67 119.29 2gjg s ASP 141 Ca -0.07 -1.11 0.00 0.00 0.43 0.00 0.00 52.55 51.80 2gjg s ASP 141 Cb -0.19 0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.68 2gjg s ASP 141 CO -0.06 -0.67 0.00 0.61 -0.17 0.00 0.00 175.17 174.88 2gjg n GLY 142 N -0.00 1.18 0.38 2.66 0.00 -1.26 -0.45 105.19 107.70 2gjg n GLY 142 Ca -0.09 -0.82 0.16 0.00 0.00 0.00 0.00 46.02 45.26 2gjg n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gjg h ALA 143 N 0.00 2.13 -0.19 4.61 0.00 -1.98 -2.54 119.26 121.29 2gjg h ALA 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gjg h ALA 143 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2gjg h ALA 143 CO 0.00 -0.35 0.00 0.72 0.00 0.00 0.00 179.25 179.62 2gjg n HIS 144 N -4.48 0.24 -2.51 0.00 8.25 -1.26 -4.87 115.22 110.59 2gjg n HIS 144 Ca 0.15 -0.12 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 2gjg n HIS 144 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 2gjg n HIS 144 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2gjg s LEU 145 N -1.56 4.28 0.12 2.41 2.96 -0.96 -4.91 118.68 121.03 2gjg s LEU 145 Ca 0.33 1.76 -0.13 0.00 -0.22 0.00 0.00 54.13 55.87 2gjg s LEU 145 Cb 0.18 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.24 2gjg s LEU 145 CO 0.27 -0.54 0.50 -0.54 -1.32 0.00 0.00 176.35 174.72 2gjg s LYS 146 N 2.07 3.92 0.00 1.98 1.02 -1.10 -4.91 119.74 122.72 2gjg s LYS 146 Ca 0.54 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.94 2gjg s LYS 146 Cb -0.24 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2gjg s LYS 146 CO 0.22 0.51 0.00 0.41 -0.92 0.00 0.00 175.35 175.56 2gjg n GLY 147 N 0.86 -0.39 3.85 -3.33 0.00 -1.26 -4.65 105.19 100.28 2gjg n GLY 147 Ca -0.06 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 2gjg n GLY 147 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gjg s ASN 148 N -1.77 6.76 0.00 1.61 0.01 -1.26 -4.93 114.94 115.37 2gjg s ASN 148 Ca 0.00 1.13 0.00 0.00 -0.71 0.00 0.00 52.86 53.28 2gjg s ASN 148 Cb 0.00 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.35 2gjg s ASN 148 CO 0.00 -0.07 0.00 0.61 -1.51 0.00 0.00 177.10 176.13 2gjg n GLY 149 N 0.05 0.84 0.00 0.66 0.00 -1.26 -5.18 105.19 100.30 2gjg n GLY 149 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2gjg n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gjg n ALA 150 N 1.68 0.00 -3.64 4.61 0.00 -1.26 -5.06 120.51 116.84 2gjg n ALA 150 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2gjg n ALA 150 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2gjg n ALA 150 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gjg s ARG 152 N 0.00 0.57 0.00 0.00 0.52 -1.26 -4.94 118.95 113.83 2gjg s ARG 152 Ca 0.00 0.91 0.00 0.00 -0.52 0.00 0.00 55.73 56.12 2gjg s ARG 152 Cb 0.00 0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.62 2gjg s ARG 152 CO 0.00 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.62 2gjg n GLY 153 N 3.67 3.82 2.98 -3.53 0.00 -0.85 -4.70 105.19 106.58 2gjg n GLY 153 Ca -0.18 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 2gjg n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gjg s LYS 154 N 1.46 0.50 -0.15 1.61 -0.14 -0.60 -1.79 119.74 120.63 2gjg s LYS 154 Ca 0.00 -0.25 -0.29 0.00 -1.36 0.00 0.00 55.97 54.07 2gjg s LYS 154 Cb 0.00 -0.47 -0.01 0.00 -1.68 0.00 0.00 37.83 35.67 2gjg s LYS 154 CO 0.00 0.13 1.22 -1.17 -0.76 0.00 0.00 175.35 174.77 2gjg s LEU 155 N -0.23 4.19 -0.16 3.17 2.96 -0.31 -1.25 118.68 127.05 2gjg s LEU 155 Ca 0.02 1.67 0.01 0.00 -0.22 0.00 0.00 54.13 55.61 2gjg s LEU 155 Cb -0.03 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.89 2gjg s LEU 155 CO -0.00 -0.71 0.21 0.18 -1.32 0.00 0.00 176.35 174.70 2gjg n LEU 156 N 6.31 2.22 -3.60 -0.68 4.77 -0.02 -4.28 117.00 121.72 2gjg n LEU 156 Ca 0.13 0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 56.07 2gjg n LEU 156 Cb 0.45 -0.71 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 2gjg n LEU 156 CO 0.55 0.78 0.38 -0.62 -1.33 0.00 0.00 177.39 177.14 2gjg s ASP 157 N -6.60 -0.65 0.01 -1.43 2.15 -1.08 -4.98 116.67 104.09 2gjg s ASP 157 Ca -0.22 1.03 -0.01 0.00 0.43 0.00 0.00 52.55 53.77 2gjg s ASP 157 Cb 0.07 0.98 -0.01 0.00 -0.30 0.00 0.00 42.92 43.66 2gjg s ASP 157 CO 0.73 -0.40 0.01 -0.51 -0.17 0.00 0.00 175.17 174.84 2gjg s ILE 158 N -0.36 0.07 0.17 4.11 2.07 -1.26 -0.99 121.20 125.00 2gjg s ILE 158 Ca -0.05 -0.56 0.03 0.00 -1.41 0.00 0.00 60.65 58.66 2gjg s ILE 158 Cb -0.03 -0.21 -0.01 0.00 0.13 0.00 0.00 42.46 42.34 2gjg s ILE 158 CO 0.05 -0.31 0.12 -1.54 -1.91 0.00 0.00 174.94 171.35 2gjg n SER 159 N 2.10 -0.03 0.22 4.50 3.41 0.80 -4.95 113.62 119.68 2gjg n SER 159 Ca -0.20 -2.09 0.07 0.00 -0.26 0.00 0.00 58.87 56.40 2gjg n SER 159 Cb 0.57 0.76 0.52 0.00 -0.26 0.00 0.00 64.21 65.79 2gjg n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gjg h ALA 160 N 1.49 1.37 0.00 7.33 0.00 -1.97 -3.27 119.26 124.20 2gjg h ALA 160 Ca -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2gjg h ALA 160 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2gjg h ALA 160 CO 0.19 0.30 -1.67 0.25 0.00 0.00 0.00 179.25 178.32 2gjg n THR 161 N -3.91 0.00 -3.83 0.00 -2.24 -1.26 -4.90 114.28 98.14 2gjg n THR 161 Ca -0.02 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2gjg n THR 161 Cb 0.32 0.24 0.01 0.00 -2.10 0.00 0.00 70.33 68.80 2gjg n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gjg n GLY 162 N 1.46 0.62 3.58 3.38 0.00 -1.24 -0.81 105.19 112.17 2gjg n GLY 162 Ca -0.02 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 2gjg n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gjg s LYS 164 N -4.00 2.96 0.25 0.00 1.02 -0.16 -0.73 119.74 119.08 2gjg s LYS 164 Ca 0.20 -0.65 0.05 0.00 0.02 0.00 0.00 55.97 55.60 2gjg s LYS 164 Cb -0.01 -2.55 -0.05 0.00 -0.52 0.00 0.00 37.83 34.69 2gjg s LYS 164 CO 0.07 0.46 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.41 2gjg s LEU 165 N -0.27 2.38 -0.03 3.17 1.43 0.37 -0.84 118.68 124.89 2gjg s LEU 165 Ca 0.02 -1.19 0.02 0.00 -1.03 0.00 0.00 54.13 51.96 2gjg s LEU 165 Cb -0.13 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.60 2gjg s LEU 165 CO 0.03 -0.40 -0.09 -0.60 0.23 0.00 0.00 176.35 175.52 2gjg s ARG 166 N -3.77 0.99 -0.00 1.70 3.52 -0.38 -0.93 118.95 120.08 2gjg s ARG 166 Ca 0.28 -0.29 0.04 0.00 -0.13 0.00 0.00 55.73 55.63 2gjg s ARG 166 Cb 0.04 -0.92 -0.01 0.00 -1.56 0.00 0.00 34.95 32.50 2gjg s ARG 166 CO 0.10 0.08 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.50 2gjg s PHE 167 N 0.31 1.01 0.32 5.12 0.08 0.10 -1.55 117.98 123.38 2gjg s PHE 167 Ca -0.05 -0.21 -0.27 0.00 0.12 0.00 0.00 56.93 56.52 2gjg s PHE 167 Cb -0.10 -0.64 -0.09 0.00 -0.57 0.00 0.00 43.02 41.62 2gjg s PHE 167 CO 0.01 -0.01 1.04 -2.00 -0.10 0.00 0.00 175.22 174.15 2gjg s GLU 168 N -0.38 4.49 0.15 0.44 2.12 -1.26 -0.59 118.70 123.66 2gjg s GLU 168 Ca 0.04 1.58 0.00 0.00 0.36 0.00 0.00 54.97 56.95 2gjg s GLU 168 Cb -0.05 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.44 2gjg s GLU 168 CO -0.00 0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 2gjg n GLY 169 N 0.82 -2.44 3.44 -1.50 0.00 -0.10 -4.66 105.19 100.76 2gjg n GLY 169 Ca 0.01 -1.59 -0.44 0.00 0.00 0.00 0.00 46.02 44.01 2gjg n GLY 169 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gjg s ASN 170 N -2.15 6.22 -0.13 1.61 3.84 -1.26 -2.49 114.94 120.58 2gjg s ASN 170 Ca 0.00 -0.95 0.15 0.00 0.21 0.00 0.00 52.86 52.27 2gjg s ASN 170 Cb 0.00 -2.35 0.43 0.00 -0.55 0.00 0.00 41.25 38.78 2gjg s ASN 170 CO 0.00 -1.15 1.33 1.33 -2.79 0.00 0.00 177.10 175.82 2gjg n VAL 171 N 5.79 1.95 -0.22 -5.21 0.24 -1.26 -4.79 118.33 114.82 2gjg n VAL 171 Ca -0.05 -1.76 0.02 0.00 -2.04 0.00 0.00 64.34 60.51 2gjg n VAL 171 Cb 0.45 -0.09 0.13 0.00 -1.47 0.00 0.00 33.84 32.86 2gjg n VAL 171 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2gjg h GLU 172 N 1.46 0.42 0.00 7.34 5.08 -1.94 -2.95 114.58 123.99 2gjg h GLU 172 Ca 0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2gjg h GLU 172 Cb 1.21 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2gjg h GLU 172 CO 0.14 0.28 -0.17 0.38 -1.00 0.00 0.00 179.01 178.63 2gjg h ASP 173 N 0.43 0.00 0.09 1.42 3.04 -2.00 -1.46 116.42 117.94 2gjg h ASP 173 Ca 0.34 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.13 2gjg h ASP 173 Cb 0.45 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.74 2gjg h ASP 173 CO -0.34 0.17 0.00 0.03 -2.04 0.00 0.00 179.24 177.07 2gjg h ARG 174 N 0.00 0.00 -6.09 4.15 3.08 -1.78 -3.46 114.38 110.28 2gjg h ARG 174 Ca -0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.44 2gjg h ARG 174 Cb 0.80 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.72 2gjg h ARG 174 CO 0.02 0.00 -0.70 -0.51 -1.07 0.00 0.00 179.97 177.72 2gjg s LEU 175 N -5.61 2.77 -0.06 3.04 1.43 -0.55 -2.71 118.68 116.98 2gjg s LEU 175 Ca -0.04 -1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 52.00 2gjg s LEU 175 Cb 0.11 -1.17 0.03 0.00 0.03 0.00 0.00 46.19 45.19 2gjg s LEU 175 CO 0.35 -0.09 0.05 -1.58 0.23 0.00 0.00 176.35 175.31 2gjg s GLN 176 N -3.60 0.07 0.38 1.70 0.74 -1.26 -4.99 119.66 112.70 2gjg s GLN 176 Ca 0.32 0.27 -0.27 0.00 0.05 0.00 0.00 55.36 55.72 2gjg s GLN 176 Cb -0.02 -0.75 -0.10 0.00 1.10 0.00 0.00 33.01 33.24 2gjg s GLN 176 CO 0.17 -0.36 1.36 -0.51 -0.55 0.00 0.00 175.29 175.39 2gjg s LEU 177 N 2.12 4.31 0.00 3.68 1.43 -1.26 -2.32 118.68 126.64 2gjg s LEU 177 Ca 0.05 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 2gjg s LEU 177 Cb -0.13 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.34 2gjg s LEU 177 CO -0.04 -0.77 0.00 0.61 0.23 0.00 0.00 176.35 176.38 2gjg n GLY 178 N 0.66 1.94 3.81 -3.19 0.00 0.56 -4.99 105.19 103.98 2gjg n GLY 178 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2gjg n GLY 178 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2gjg s GLN 179 N -0.37 4.30 -0.19 1.61 2.00 -0.98 -4.67 119.66 121.36 2gjg s GLN 179 Ca 0.00 1.00 -0.16 0.00 -2.00 0.00 0.00 55.36 54.20 2gjg s GLN 179 Cb 0.00 -2.67 -0.04 0.00 0.80 0.00 0.00 33.01 31.09 2gjg s GLN 179 CO 0.00 0.26 0.38 0.08 -0.50 0.00 0.00 175.29 175.51 2gjg s VAL 180 N -1.73 5.22 -0.32 1.34 1.01 -1.26 -1.54 120.40 123.12 2gjg s VAL 180 Ca 0.50 0.70 -0.07 0.00 0.00 0.00 0.00 61.98 63.10 2gjg s VAL 180 Cb -0.15 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2gjg s VAL 180 CO 0.20 0.28 0.10 -0.31 0.00 0.00 0.00 175.10 175.38 2gjg s TYR 181 N 1.09 3.20 -2.45 5.22 2.02 0.31 -4.72 117.35 122.01 2gjg s TYR 181 Ca 0.19 -1.14 0.27 0.00 -0.37 0.00 0.00 57.07 56.02 2gjg s TYR 181 Cb -0.14 -2.28 0.82 0.00 -0.40 0.00 0.00 41.96 39.96 2gjg s TYR 181 CO 0.07 -0.64 1.61 -0.85 -1.57 0.00 0.00 175.55 174.18 2gjg n GLU 182 N 4.86 1.63 -3.45 -0.62 0.00 -1.21 -1.39 120.64 120.47 2gjg n GLU 182 Ca -0.13 -1.06 -0.27 0.00 0.00 0.00 0.00 57.16 55.70 2gjg n GLU 182 Cb 0.47 -1.48 -0.08 0.00 0.00 0.00 0.00 31.44 30.34 2gjg n GLU 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2gjg n ARG 183 N 0.24 2.30 -3.42 3.44 1.74 0.40 -4.15 116.66 117.20 2gjg n ARG 183 Ca 0.17 -4.53 -0.37 0.00 -0.77 0.00 0.00 57.85 52.35 2gjg n ARG 183 Cb 0.40 -2.17 -0.06 0.00 -1.02 0.00 0.00 32.46 29.61 2gjg n ARG 183 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2gjg s PHE 184 N -2.26 3.52 0.03 -1.55 5.36 1.00 -0.81 117.98 123.27 2gjg s PHE 184 Ca 0.38 0.79 0.02 0.00 -0.96 0.00 0.00 56.93 57.16 2gjg s PHE 184 Cb 0.13 -2.44 -0.02 0.00 -0.34 0.00 0.00 43.02 40.36 2gjg s PHE 184 CO -0.04 0.26 -0.08 0.15 -1.46 0.00 0.00 175.22 174.05 2gjg s LYS 185 N 0.35 0.54 -0.06 10.12 1.02 -0.17 -0.06 119.74 131.48 2gjg s LYS 185 Ca 0.22 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.57 2gjg s LYS 185 Cb -0.14 -0.38 0.02 0.00 -0.52 0.00 0.00 37.83 36.81 2gjg s LYS 185 CO 0.08 0.08 -0.06 0.00 -0.92 0.00 0.00 175.35 174.53 2gjg s ALA 186 N -1.07 0.91 1.00 5.17 0.00 -0.91 -0.55 121.76 126.30 2gjg s ALA 186 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2gjg s ALA 186 Cb -0.08 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.45 2gjg s ALA 186 CO 0.00 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2gjg n GLY 187 N 4.33 -2.08 3.82 0.00 0.00 0.11 -1.16 105.19 110.20 2gjg n GLY 187 Ca -0.19 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 2gjg n GLY 187 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gjg s ASN 188 N -1.43 6.32 -0.23 1.61 0.01 -1.26 -1.26 114.94 118.70 2gjg s ASN 188 Ca 0.00 1.71 0.05 0.00 -0.71 0.00 0.00 52.86 53.91 2gjg s ASN 188 Cb 0.00 -2.53 0.44 0.00 0.41 0.00 0.00 41.25 39.58 2gjg s ASN 188 CO 0.00 -0.80 1.45 -0.81 -1.51 0.00 0.00 177.10 175.43 2gjg n PRO 189 N -1.60 2.37 -0.02 -0.60 -0.04 -1.26 -4.70 135.00 129.16 2gjg n PRO 189 Ca 0.08 -1.87 -0.22 0.00 -0.04 0.00 0.00 63.50 61.45 2gjg n PRO 189 Cb 0.53 -1.81 -0.13 0.00 -0.04 0.00 0.00 33.50 32.05 2gjg n PRO 189 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2gjg h LEU 190 N 1.54 0.32 -2.89 1.53 5.85 -1.74 -3.50 115.31 116.43 2gjg h LEU 190 Ca 0.25 -0.83 -0.22 0.00 0.84 0.00 0.00 57.88 57.92 2gjg h LEU 190 Cb 1.87 -0.10 0.03 0.00 0.37 0.00 0.00 40.66 42.82 2gjg h LEU 190 CO 0.54 1.73 -0.51 0.61 -0.34 0.00 0.00 178.44 180.47 2gjg n GLY 191 N 1.81 -1.22 3.21 3.75 0.00 -0.39 -4.92 105.19 107.42 2gjg n GLY 191 Ca -0.30 0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 2gjg n GLY 191 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gjg s LEU 192 N -4.73 2.24 0.36 0.99 2.96 -0.31 -5.01 118.68 115.18 2gjg s LEU 192 Ca 0.10 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2gjg s LEU 192 Cb -0.03 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 2gjg s LEU 192 CO 0.81 0.09 0.62 0.68 -1.32 0.00 0.00 176.35 177.22 2gjg s VAL 193 N 0.77 5.01 0.00 1.68 -7.23 -1.26 -2.14 120.40 117.22 2gjg s VAL 193 Ca -0.08 -0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.04 2gjg s VAL 193 Cb -0.16 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 32.98 2gjg s VAL 193 CO -0.00 -0.53 0.00 0.47 -0.31 0.00 0.00 175.10 174.73 2gjg n ASP 194 N -1.54 0.00 0.00 4.85 9.92 -1.23 -4.81 116.55 123.74 2gjg n ASP 194 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 2gjg n ASP 194 Cb 0.55 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.03 2gjg n ASP 194 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2gjg n THR 195 N 0.00 0.00 0.00 -3.53 -1.04 0.92 -4.84 114.28 105.79 2gjg n THR 195 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2gjg n THR 195 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2gjg n THR 195 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2gjg n VAL 197 N 0.00 0.00 -3.72 12.58 0.24 -0.49 -0.00 118.33 126.93 2gjg n VAL 197 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.93 2gjg n VAL 197 Cb 0.00 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.30 2gjg n VAL 197 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2gjg s GLU 198 N -1.43 3.84 -0.14 7.34 2.12 0.09 -0.53 118.70 129.99 2gjg s GLU 198 Ca 0.00 -0.03 -0.26 0.00 0.36 0.00 0.00 54.97 55.03 2gjg s GLU 198 Cb 0.00 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 2gjg s GLU 198 CO 0.00 0.55 0.87 -1.17 -0.54 0.00 0.00 175.26 174.97 2gjg s LEU 199 N -0.42 4.21 -0.06 2.70 2.96 -0.59 -1.40 118.68 126.09 2gjg s LEU 199 Ca 0.15 1.28 0.03 0.00 -0.22 0.00 0.00 54.13 55.36 2gjg s LEU 199 Cb -0.13 -3.32 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 2gjg s LEU 199 CO 0.04 -0.39 -0.02 0.54 -1.32 0.00 0.00 176.35 175.20 2gjg n ARG 200 N 5.07 1.70 -4.07 1.98 5.12 -0.02 -0.33 116.66 126.12 2gjg n ARG 200 Ca 0.05 0.02 -0.12 0.00 -1.93 0.00 0.00 57.85 55.87 2gjg n ARG 200 Cb 0.49 -1.13 -0.11 0.00 -1.16 0.00 0.00 32.46 30.55 2gjg n ARG 200 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2gjg s HIS 201 N -2.13 0.65 -0.23 -1.55 3.76 -0.91 -4.90 115.29 109.99 2gjg s HIS 201 Ca -0.06 -0.55 -0.07 0.00 -0.15 0.00 0.00 55.06 54.24 2gjg s HIS 201 Cb 0.02 -0.39 0.11 0.00 1.11 0.00 0.00 32.58 33.42 2gjg s HIS 201 CO 0.18 -0.10 0.48 -1.17 -0.85 0.00 0.00 174.74 173.28 2gjg s LEU 202 N -1.72 -0.80 -0.15 0.89 2.96 -1.26 -1.58 118.68 117.03 2gjg s LEU 202 Ca -0.08 1.10 -0.04 0.00 -0.22 0.00 0.00 54.13 54.88 2gjg s LEU 202 Cb -0.08 1.62 0.07 0.00 0.50 0.00 0.00 46.19 48.30 2gjg s LEU 202 CO -0.00 -0.23 0.24 -2.28 -1.32 0.00 0.00 176.35 172.75 2gjg s HIS 203 N 2.69 -0.35 -0.29 5.38 5.65 0.01 -5.00 115.29 123.38 2gjg s HIS 203 Ca -0.01 0.70 -0.28 0.00 0.25 0.00 0.00 55.06 55.72 2gjg s HIS 203 Cb -0.12 -0.17 0.01 0.00 -1.18 0.00 0.00 32.58 31.12 2gjg s HIS 203 CO -0.15 -0.42 1.00 -0.47 -0.65 0.00 0.00 174.74 174.05 2gjg s TYR 204 N 2.38 3.21 -0.53 3.88 5.04 -1.26 0.96 117.35 131.02 2gjg s TYR 204 Ca 0.04 1.18 -0.19 0.00 -2.44 0.00 0.00 57.07 55.66 2gjg s TYR 204 Cb -0.13 -3.48 0.08 0.00 0.35 0.00 0.00 41.96 38.78 2gjg s TYR 204 CO -0.09 -0.65 0.64 -2.00 -1.34 0.00 0.00 175.55 172.11 2gjg s GLU 205 N 3.38 3.08 0.20 4.97 2.56 0.44 -4.98 118.70 128.36 2gjg s GLU 205 Ca 0.42 -1.09 -0.09 0.00 0.00 0.00 0.00 54.97 54.22 2gjg s GLU 205 Cb -0.13 -4.16 0.13 0.00 2.00 0.00 0.00 34.13 31.97 2gjg s GLU 205 CO 0.12 -1.32 1.76 1.49 -0.56 0.00 0.00 175.26 176.75 2gjg h GLU 206 N 9.04 1.13 0.00 4.30 4.81 -1.96 -1.71 114.58 130.20 2gjg h GLU 206 Ca -0.28 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2gjg h GLU 206 Cb 1.09 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.30 2gjg h GLU 206 CO 1.01 0.94 0.00 0.07 -0.73 0.00 0.00 179.01 180.30 2gjg h ARG 207 N 1.09 0.00 -0.02 1.92 0.11 -1.96 -0.74 114.38 114.77 2gjg h ARG 207 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 2gjg h ARG 207 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 2gjg h ARG 207 CO -0.02 0.00 0.00 0.44 0.10 0.00 0.00 179.97 180.49 2gjg n ILE 208 N -2.53 1.04 -3.99 0.08 -5.35 -1.16 -5.02 119.36 102.44 2gjg n ILE 208 Ca 0.00 -1.06 -0.26 0.00 -0.27 0.00 0.00 62.75 61.17 2gjg n ILE 208 Cb 0.19 0.47 -0.03 0.00 -1.74 0.00 0.00 39.64 38.52 2gjg n ILE 208 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2gjg n ASN 209 N -0.47 -0.22 -3.93 7.28 5.15 -0.29 -4.91 115.26 117.88 2gjg n ASN 209 Ca 0.02 -1.04 -0.20 0.00 -0.60 0.00 0.00 54.58 52.76 2gjg n ASN 209 Cb 0.28 -2.89 -0.16 0.00 -0.53 0.00 0.00 39.78 36.48 2gjg n ASN 209 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2gjg s THR 210 N -4.00 0.60 -0.16 -0.44 2.01 -0.98 -0.92 115.64 111.75 2gjg s THR 210 Ca 0.01 -0.19 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 2gjg s THR 210 Cb -0.00 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.87 2gjg s THR 210 CO 0.90 0.23 0.19 -0.89 -0.69 0.00 0.00 174.62 174.35 2gjg s THR 211 N 0.67 5.39 -0.09 -0.82 2.01 0.24 -0.42 115.64 122.62 2gjg s THR 211 Ca -0.09 0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.25 2gjg s THR 211 Cb -0.13 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 2gjg s THR 211 CO 0.01 0.49 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.90 2gjg s PHE 212 N -0.11 2.68 0.05 4.92 0.08 0.27 0.03 117.98 125.91 2gjg s PHE 212 Ca 0.13 -0.56 0.08 0.00 0.12 0.00 0.00 56.93 56.70 2gjg s PHE 212 Cb -0.12 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 2gjg s PHE 212 CO 0.02 -0.12 -0.23 0.00 -0.10 0.00 0.00 175.22 174.79 2gjg s ALA 213 N -0.06 1.99 -0.15 5.36 0.00 -0.10 -0.81 121.76 127.98 2gjg s ALA 213 Ca -0.04 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.76 2gjg s ALA 213 Cb -0.14 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.59 2gjg s ALA 213 CO 0.04 0.45 -0.17 0.20 0.00 0.00 0.00 175.76 176.28 2gjg s GLY 214 N -1.29 1.44 0.16 0.00 0.00 -0.61 -0.48 107.32 106.54 2gjg s GLY 214 Ca 0.09 -1.07 0.10 0.00 0.00 0.00 0.00 44.72 43.84 2gjg s GLY 214 CO 0.02 0.03 -0.21 -1.34 0.00 0.00 0.00 173.10 171.60 2gjg s VAL 215 N 0.86 2.01 -0.09 1.40 -7.23 0.09 -0.84 120.40 116.59 2gjg s VAL 215 Ca -0.05 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 2gjg s VAL 215 Cb -0.15 -1.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 2gjg s VAL 215 CO -0.01 -0.17 -0.12 -0.60 -0.31 0.00 0.00 175.10 173.89 2gjg s ARG 216 N -2.51 2.99 0.07 4.82 3.52 -0.49 -0.61 118.95 126.74 2gjg s ARG 216 Ca 0.15 -0.67 -0.31 0.00 -0.13 0.00 0.00 55.73 54.78 2gjg s ARG 216 Cb -0.08 -2.54 -0.07 0.00 -1.56 0.00 0.00 34.95 30.70 2gjg s ARG 216 CO 0.07 0.42 1.43 -0.06 -0.81 0.00 0.00 175.30 176.35 2gjg s PHE 217 N -0.18 3.01 -0.29 5.12 0.08 0.01 -0.73 117.98 125.00 2gjg s PHE 217 Ca 0.00 0.82 -0.10 0.00 0.12 0.00 0.00 56.93 57.77 2gjg s PHE 217 Cb -0.13 -3.72 -0.03 0.00 -0.57 0.00 0.00 43.02 38.57 2gjg s PHE 217 CO 0.03 -2.61 0.17 -1.58 -0.10 0.00 0.00 175.22 171.13 2gjg s HIS 218 N 1.71 3.19 -1.10 0.36 2.46 -1.26 -4.61 115.29 116.04 2gjg s HIS 218 Ca 0.66 -0.20 -0.21 0.00 0.47 0.00 0.00 55.06 55.78 2gjg s HIS 218 Cb -0.36 -2.37 0.01 0.00 -0.13 0.00 0.00 32.58 29.73 2gjg s HIS 218 CO 0.29 -0.30 0.75 0.09 -2.47 0.00 0.00 174.74 173.10 2gjg n ASN 219 N 5.03 -5.15 -4.77 9.88 3.02 -1.26 -4.73 115.26 117.28 2gjg n ASN 219 Ca -0.14 -1.03 -0.39 0.00 -0.03 0.00 0.00 54.58 52.98 2gjg n ASN 219 Cb 0.51 -2.90 0.01 0.00 -0.61 0.00 0.00 39.78 36.78 2gjg n ASN 219 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2gjg s LEU 220 N -6.43 4.15 0.87 3.41 1.43 -1.26 -5.02 118.68 115.83 2gjg s LEU 220 Ca 0.41 2.73 -0.11 0.00 -1.03 0.00 0.00 54.13 56.13 2gjg s LEU 220 Cb -0.17 -3.95 0.11 0.00 0.03 0.00 0.00 46.19 42.21 2gjg s LEU 220 CO 0.89 -1.01 1.09 -0.94 0.23 0.00 0.00 176.35 176.61 2gjg s SER 221 N -0.71 3.71 0.26 2.29 1.04 -1.26 -4.89 113.70 114.14 2gjg s SER 221 Ca 0.59 1.48 0.09 0.00 0.48 0.00 0.00 55.95 58.60 2gjg s SER 221 Cb -0.40 -2.17 0.32 0.00 0.10 0.00 0.00 66.02 63.88 2gjg s SER 221 CO 0.50 -2.49 1.59 1.23 0.98 0.00 0.00 173.24 175.06 2gjg h GLY 222 N -1.45 0.04 1.99 7.32 0.00 -1.99 -1.47 103.07 107.51 2gjg h GLY 222 Ca -0.49 -0.05 -0.16 0.00 0.00 0.00 0.00 47.33 46.64 2gjg h GLY 222 CO 0.55 0.04 -0.75 -1.61 0.00 0.00 0.00 176.54 174.77 2gjg h GLN 223 N 0.02 0.01 -0.04 4.80 -0.00 -1.99 -1.96 115.11 115.96 2gjg h GLN 223 Ca -0.01 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.61 2gjg h GLN 223 Cb 1.12 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.60 2gjg h GLN 223 CO 0.08 0.76 -0.07 0.00 0.00 0.00 0.00 178.83 179.60 2gjg h ALA 224 N 1.24 0.07 -0.39 3.38 0.00 -1.90 -2.22 119.26 119.44 2gjg h ALA 224 Ca -0.01 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.68 2gjg h ALA 224 Cb 1.33 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 2gjg h ALA 224 CO 0.10 -0.11 -0.27 1.96 0.00 0.00 0.00 179.25 180.93 2gjg h GLN 225 N -0.37 -0.20 0.00 0.00 4.20 -1.25 -0.79 115.11 116.70 2gjg h GLN 225 Ca 0.00 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 2gjg h GLN 225 Cb 0.61 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2gjg h GLN 225 CO 0.02 -0.13 -0.27 0.00 -0.67 0.00 0.00 178.83 177.78 2gjg h ARG 226 N -0.20 0.00 -0.07 1.46 3.08 -1.40 0.16 114.38 117.42 2gjg h ARG 226 Ca 0.18 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 2gjg h ARG 226 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2gjg h ARG 226 CO -0.50 0.27 -0.21 -0.22 -1.07 0.00 0.00 179.97 178.23 2gjg h LYS 227 N 0.00 0.26 -0.82 0.04 3.64 -0.81 -2.40 116.57 116.49 2gjg h LYS 227 Ca -0.00 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2gjg h LYS 227 Cb 0.54 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 2gjg h LYS 227 CO 0.03 0.81 0.51 0.82 -2.27 0.00 0.00 179.45 179.36 2gjg h ILE 228 N -0.25 1.22 -0.39 2.00 2.04 -0.99 -0.68 117.51 120.47 2gjg h ILE 228 Ca -0.01 -0.46 -0.14 0.00 1.00 0.00 0.00 64.86 65.25 2gjg h ILE 228 Cb 0.83 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2gjg h ILE 228 CO 0.04 0.23 -0.30 -0.33 0.00 0.00 0.00 178.15 177.79 2gjg h GLU 229 N 1.12 0.89 -0.45 2.37 5.08 -0.71 -0.14 114.58 122.75 2gjg h GLU 229 Ca 0.29 -0.44 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 2gjg h GLU 229 Cb -0.07 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2gjg h GLU 229 CO -0.06 1.09 -0.17 1.03 -1.00 0.00 0.00 179.01 179.90 2gjg h SER 230 N 0.71 0.87 -0.32 1.42 0.87 -1.39 -1.87 113.55 113.83 2gjg h SER 230 Ca 0.07 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 2gjg h SER 230 Cb 0.88 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2gjg h SER 230 CO 0.08 1.03 0.11 0.15 -0.53 0.00 0.00 176.83 177.66 2gjg h PHE 231 N 0.76 0.51 -0.80 2.24 3.57 -0.78 -1.85 116.94 120.60 2gjg h PHE 231 Ca 0.11 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2gjg h PHE 231 Cb 0.70 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 2gjg h PHE 231 CO 0.04 0.51 0.44 0.28 -2.23 0.00 0.00 178.31 177.35 2gjg h VAL 232 N 0.37 1.23 -0.60 1.41 2.07 -0.98 -1.04 116.25 118.71 2gjg h VAL 232 Ca 0.10 -0.58 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 2gjg h VAL 232 Cb 0.23 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 2gjg h VAL 232 CO -0.00 0.26 0.06 0.22 0.02 0.00 0.00 177.57 178.13 2gjg h TYR 233 N 1.12 1.05 -0.25 1.57 5.03 -1.09 -2.58 116.97 121.82 2gjg h TYR 233 Ca 0.28 -0.15 -0.20 0.00 2.58 0.00 0.00 58.73 61.25 2gjg h TYR 233 Cb 0.02 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.02 2gjg h TYR 233 CO 0.01 0.91 -0.61 1.96 -1.32 0.00 0.00 178.16 179.11 2gjg h GLN 234 N 0.93 0.85 -0.05 1.82 1.08 -0.70 -2.92 115.11 116.11 2gjg h GLN 234 Ca 0.18 -0.58 -0.00 0.00 -1.45 0.00 0.00 58.65 56.80 2gjg h GLN 234 Cb 0.45 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2gjg h GLN 234 CO 0.02 1.21 0.03 -0.07 -0.95 0.00 0.00 178.83 179.07 2gjg h LEU 235 N 0.64 0.06 -0.56 1.46 3.38 -1.13 -2.64 115.31 116.52 2gjg h LEU 235 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2gjg h LEU 235 Cb 1.23 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2gjg h LEU 235 CO 0.13 0.08 0.00 0.06 0.09 0.00 0.00 178.44 178.81 2gjg h GLN 236 N 0.04 0.00 0.04 1.13 3.07 -1.52 -1.41 115.11 116.47 2gjg h GLN 236 Ca 0.02 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.48 2gjg h GLN 236 Cb 0.03 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.61 2gjg h GLN 236 CO -0.00 0.00 -1.12 0.00 0.09 0.00 0.00 178.83 177.80 2gjg h ARG 237 N 0.00 0.67 -0.05 0.06 3.08 -1.30 -2.36 114.38 114.48 2gjg h ARG 237 Ca 0.00 -0.78 -0.17 0.00 0.07 0.00 0.00 59.98 59.10 2gjg h ARG 237 Cb 0.47 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 2gjg h ARG 237 CO 0.00 1.34 -0.70 1.05 -1.07 0.00 0.00 179.97 180.59 2gjg h GLU 238 N 0.35 0.24 0.22 0.04 9.09 -1.13 -1.91 114.58 121.48 2gjg h GLU 238 Ca -0.15 -0.20 -0.01 0.00 0.05 0.00 0.00 59.36 59.05 2gjg h GLU 238 Cb 1.78 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.92 2gjg h GLU 238 CO 0.22 0.85 -0.10 0.00 0.05 0.00 0.00 179.01 180.02 2gjg h ALA 239 N 1.10 -0.29 -1.00 1.06 0.00 -1.35 -0.30 119.26 118.47 2gjg h ALA 239 Ca -0.02 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.84 2gjg h ALA 239 Cb 1.25 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 2gjg h ALA 239 CO 0.11 -0.61 0.65 0.07 0.00 0.00 0.00 179.25 179.47 2gjg h ARG 240 N -0.40 1.16 -0.48 0.00 0.11 -1.44 -0.49 114.38 112.85 2gjg h ARG 240 Ca -0.03 -0.07 -0.03 0.00 0.10 0.00 0.00 59.98 59.95 2gjg h ARG 240 Cb 0.30 -0.26 -0.02 0.00 1.11 0.00 0.00 29.97 31.10 2gjg h ARG 240 CO 0.05 0.77 0.16 -0.09 0.10 0.00 0.00 179.97 180.96 2gjg h ARG 241 N 1.20 0.73 0.02 0.08 2.43 -1.24 -2.56 114.38 115.04 2gjg h ARG 241 Ca 0.42 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2gjg h ARG 241 Cb 0.12 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2gjg h ARG 241 CO -0.16 0.68 -0.01 0.35 -1.51 0.00 0.00 179.97 179.32 2gjg h PHE 242 N 0.63 -0.02 0.00 2.20 3.57 -0.58 -3.16 116.94 119.57 2gjg h PHE 242 Ca 0.16 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2gjg h PHE 242 Cb 0.24 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2gjg h PHE 242 CO 0.01 0.08 -0.04 -0.44 -2.23 0.00 0.00 178.31 175.70 2gjg h ASP 243 N -0.12 0.00 -0.56 0.41 3.32 -1.05 -1.65 116.42 116.77 2gjg h ASP 243 Ca -0.00 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.21 2gjg h ASP 243 Cb 0.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2gjg h ASP 243 CO 0.00 0.04 0.40 0.11 -1.72 0.00 0.00 179.24 178.07 2gjg h LYS 244 N 0.00 0.02 -6.10 3.56 1.57 -1.42 -3.46 116.57 110.74 2gjg h LYS 244 Ca -0.00 -0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.34 2gjg h LYS 244 Cb 0.07 -0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.41 2gjg h LYS 244 CO 0.00 0.01 -0.76 -3.47 -0.57 0.00 0.00 179.45 174.67 2gjg n ASP 245 N -4.38 -4.18 -0.20 0.86 -0.08 -0.62 -4.89 116.55 103.06 2gjg n ASP 245 Ca 0.10 -0.72 0.06 0.00 -1.51 0.00 0.00 54.79 52.72 2gjg n ASP 245 Cb 0.62 -4.28 -0.02 0.00 2.34 0.00 0.00 41.12 39.78 2gjg n ASP 245 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2gjg n ASP 246 N -2.95 1.14 0.00 1.67 9.92 -1.26 -5.18 116.55 119.88 2gjg n ASP 246 Ca -0.06 -1.07 0.00 0.00 -0.53 0.00 0.00 54.79 53.13 2gjg n ASP 246 Cb 0.58 0.61 0.00 0.00 -0.64 0.00 0.00 41.12 41.66 2gjg n ASP 246 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33