#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpj s LYS 2 N 0.00 0.15 0.01 2.12 -2.85 -1.26 -5.12 119.74 112.79 1xpj s LYS 2 Ca 0.00 0.08 0.05 0.00 -1.00 0.00 0.00 55.97 55.09 1xpj s LYS 2 Cb 0.00 -0.31 -0.01 0.00 -2.06 0.00 0.00 37.83 35.44 1xpj s LYS 2 CO 0.00 -0.10 -0.14 0.15 0.10 0.00 0.00 175.35 175.36 1xpj s LYS 3 N 0.76 1.08 -0.18 1.78 1.02 -1.26 -1.49 119.74 121.45 1xpj s LYS 3 Ca -0.07 -0.59 -0.13 0.00 0.02 0.00 0.00 55.97 55.20 1xpj s LYS 3 Cb -0.10 -1.07 -0.05 0.00 -0.52 0.00 0.00 37.83 36.10 1xpj s LYS 3 CO -0.02 0.28 0.26 -0.51 -0.92 0.00 0.00 175.35 174.45 1xpj s LEU 4 N -0.60 4.22 -0.37 3.17 1.43 0.11 -4.93 118.68 121.71 1xpj s LEU 4 Ca 0.04 0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 53.45 1xpj s LEU 4 Cb -0.06 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.85 1xpj s LEU 4 CO 0.00 0.09 0.23 -0.63 0.23 0.00 0.00 176.35 176.27 1xpj s ILE 5 N 0.59 4.91 -0.18 -0.59 -1.09 -1.26 -0.46 121.20 123.12 1xpj s ILE 5 Ca 0.14 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 1xpj s ILE 5 Cb -0.13 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.10 1xpj s ILE 5 CO 0.03 -0.17 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.72 1xpj s VAL 6 N 1.63 2.41 0.89 2.92 1.01 0.96 -4.96 120.40 125.26 1xpj s VAL 6 Ca 0.04 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 1xpj s VAL 6 Cb -0.18 -2.02 0.13 0.00 0.00 0.00 0.00 36.38 34.30 1xpj s VAL 6 CO 0.08 0.52 1.10 -0.62 0.00 0.00 0.00 175.10 176.18 1xpj s ASP 7 N 1.15 3.36 -0.04 3.32 2.15 -1.25 -0.91 116.67 124.44 1xpj s ASP 7 Ca 0.01 1.78 -0.05 0.00 0.43 0.00 0.00 52.55 54.72 1xpj s ASP 7 Cb -0.14 -2.40 -0.02 0.00 -0.30 0.00 0.00 42.92 40.07 1xpj s ASP 7 CO -0.07 -2.76 -0.10 -0.11 -0.17 0.00 0.00 175.17 171.96 1xpj n LEU 8 N -3.98 0.67 -4.65 -1.34 7.94 -1.25 -4.07 117.00 110.32 1xpj n LEU 8 Ca 0.08 0.11 -0.43 0.00 -1.11 0.00 0.00 56.01 54.67 1xpj n LEU 8 Cb 0.54 -0.48 -0.02 0.00 0.53 0.00 0.00 43.42 43.98 1xpj n LEU 8 CO 0.53 -0.46 1.16 -1.81 -1.11 0.00 0.00 177.39 175.71 1xpj s ASP 9 N -4.89 6.80 0.00 1.96 1.01 -1.26 -0.73 116.67 119.56 1xpj s ASP 9 Ca -0.08 1.69 0.00 0.00 0.71 0.00 0.00 52.55 54.86 1xpj s ASP 9 Cb 0.01 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1xpj s ASP 9 CO 0.13 -0.89 0.00 0.61 0.21 0.00 0.00 175.17 175.23 1xpj n GLY 10 N 3.91 2.48 0.42 0.21 0.00 -1.06 -4.82 105.19 106.33 1xpj n GLY 10 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 1xpj n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xpj n THR 11 N -2.00 1.18 0.68 2.61 -1.04 -1.10 -4.63 114.28 109.98 1xpj n THR 11 Ca 0.00 -0.06 0.11 0.00 -2.04 0.00 0.00 64.05 62.07 1xpj n THR 11 Cb 0.00 -1.89 0.07 0.00 -1.82 0.00 0.00 70.33 66.69 1xpj n THR 11 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1xpj n LEU 12 N -3.96 0.63 -4.38 -4.42 4.77 0.09 -4.80 117.00 104.94 1xpj n LEU 12 Ca -0.25 -0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.46 1xpj n LEU 12 Cb 0.59 -0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 1xpj n LEU 12 CO 0.07 0.06 -0.51 0.42 -1.33 0.00 0.00 177.39 176.10 1xpj s THR 13 N -3.14 2.12 -2.03 -5.08 -4.23 -1.09 -1.84 115.64 100.35 1xpj s THR 13 Ca 0.06 -1.98 0.30 0.00 -1.18 0.00 0.00 61.69 58.89 1xpj s THR 13 Cb 0.15 -2.00 0.67 0.00 1.34 0.00 0.00 72.50 72.66 1xpj s THR 13 CO 0.78 -0.20 1.98 0.00 -0.54 0.00 0.00 174.62 176.64 1xpj n GLN 14 N 0.29 1.08 -4.14 3.99 6.02 -0.11 -2.57 117.38 121.94 1xpj n GLN 14 Ca -0.13 -0.34 -0.34 0.00 -0.01 0.00 0.00 57.00 56.18 1xpj n GLN 14 Cb 0.56 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.32 1xpj n GLN 14 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xpj n ALA 15 N -0.66 -1.31 0.64 -1.58 0.00 -1.26 -4.86 120.51 111.48 1xpj n ALA 15 Ca 0.20 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.78 1xpj n ALA 15 Cb 0.23 -3.60 0.31 0.00 0.00 0.00 0.00 19.45 16.40 1xpj n ALA 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1xpj n ASN 16 N -2.72 0.71 -3.78 0.00 6.94 -1.26 -4.93 115.26 110.23 1xpj n ASN 16 Ca 0.04 0.35 -0.12 0.00 -0.02 0.00 0.00 54.58 54.84 1xpj n ASN 16 Cb 0.51 -0.34 -0.08 0.00 -2.36 0.00 0.00 39.78 37.51 1xpj n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1xpj s THR 17 N -3.12 0.08 -0.09 5.53 -1.32 -1.26 -5.04 115.64 110.42 1xpj s THR 17 Ca 0.09 -0.68 0.19 0.00 -1.21 0.00 0.00 61.69 60.08 1xpj s THR 17 Cb 0.13 -0.84 0.16 0.00 -1.51 0.00 0.00 72.50 70.44 1xpj s THR 17 CO 0.65 -0.38 1.60 0.77 -2.21 0.00 0.00 174.62 175.06 1xpj h SER 18 N 3.45 0.00 -1.73 8.08 4.64 -2.00 -3.42 113.55 122.57 1xpj h SER 18 Ca -0.31 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.54 1xpj h SER 18 Cb 1.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 1xpj h SER 18 CO 0.45 0.34 1.21 -0.62 -0.87 0.00 0.00 176.83 177.33 1xpj s ASP 19 N -6.34 5.36 0.43 4.97 -1.08 -1.26 -4.88 116.67 113.86 1xpj s ASP 19 Ca 0.03 0.01 0.11 0.00 -0.52 0.00 0.00 52.55 52.18 1xpj s ASP 19 Cb 0.08 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.92 1xpj s ASP 19 CO 0.70 -2.38 2.00 1.88 0.52 0.00 0.00 175.17 177.89 1xpj h TYR 20 N 13.63 0.23 -0.85 -5.34 0.05 -2.00 -2.38 116.97 120.32 1xpj h TYR 20 Ca -0.18 -0.01 0.20 0.00 0.05 0.00 0.00 58.73 58.80 1xpj h TYR 20 Cb 1.12 -0.07 -0.12 0.00 1.01 0.00 0.00 36.73 38.66 1xpj h TYR 20 CO 1.09 0.27 0.30 -0.09 -1.05 0.00 0.00 178.16 178.68 1xpj h ARG 21 N 0.23 0.32 -0.19 4.88 2.43 -1.90 -3.13 114.38 117.02 1xpj h ARG 21 Ca 0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1xpj h ARG 21 Cb 0.20 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1xpj h ARG 21 CO 0.01 0.21 0.00 0.09 -1.51 0.00 0.00 179.97 178.77 1xpj n ASN 22 N -5.11 3.17 -4.77 -3.80 3.02 -0.92 -4.92 115.26 101.92 1xpj n ASN 22 Ca 0.20 -2.74 -0.38 0.00 -0.03 0.00 0.00 54.58 51.63 1xpj n ASN 22 Cb 0.60 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 1xpj n ASN 22 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xpj s VAL 23 N -2.31 3.31 0.23 2.41 0.11 -1.03 -4.98 120.40 118.13 1xpj s VAL 23 Ca 0.32 1.08 -0.30 0.00 -2.93 0.00 0.00 61.98 60.15 1xpj s VAL 23 Cb 0.25 -3.59 -0.09 0.00 -1.53 0.00 0.00 36.38 31.42 1xpj s VAL 23 CO 0.08 0.08 1.04 -0.76 -3.33 0.00 0.00 175.10 172.21 1xpj s LEU 24 N -2.50 4.56 0.33 2.54 1.43 -1.26 -4.94 118.68 118.83 1xpj s LEU 24 Ca 0.57 2.09 -0.28 0.00 -1.03 0.00 0.00 54.13 55.48 1xpj s LEU 24 Cb -0.29 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.23 1xpj s LEU 24 CO 0.36 -0.07 1.21 -2.16 0.23 0.00 0.00 176.35 175.92 1xpj s PRO 25 N -0.96 4.38 -0.92 1.29 0.04 -1.26 -0.94 135.00 136.63 1xpj s PRO 25 Ca 0.45 2.01 -0.21 0.00 0.04 0.00 0.00 61.00 63.29 1xpj s PRO 25 Cb -0.29 -3.02 0.10 0.00 0.04 0.00 0.00 34.50 31.32 1xpj s PRO 25 CO 0.36 -0.09 1.22 1.03 0.04 0.00 0.00 177.00 179.55 1xpj s ARG 26 N -1.79 3.53 0.21 4.56 0.52 -0.77 -4.70 118.95 120.51 1xpj s ARG 26 Ca 0.49 -1.41 -0.08 0.00 -0.52 0.00 0.00 55.73 54.21 1xpj s ARG 26 Cb -0.35 -4.96 0.15 0.00 0.52 0.00 0.00 34.95 30.31 1xpj s ARG 26 CO 0.46 -1.93 1.77 -0.07 0.02 0.00 0.00 175.30 175.56 1xpj h LEU 27 N 11.34 1.11 -0.72 2.53 3.38 -1.95 -2.40 115.31 128.58 1xpj h LEU 27 Ca 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1xpj h LEU 27 Cb 1.03 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1xpj h LEU 27 CO 1.22 0.98 0.34 -2.24 0.09 0.00 0.00 178.44 178.83 1xpj h ASP 28 N 1.16 0.95 -0.08 -0.43 2.03 -1.99 -1.27 116.42 116.79 1xpj h ASP 28 Ca 0.26 -0.14 -0.01 0.00 -0.73 0.00 0.00 57.03 56.41 1xpj h ASP 28 Cb 0.23 -0.24 -0.00 0.00 -0.83 0.00 0.00 39.33 38.48 1xpj h ASP 28 CO -0.02 0.82 0.01 0.58 -1.03 0.00 0.00 179.24 179.61 1xpj h VAL 29 N 1.01 1.22 -0.59 4.15 2.07 -1.86 -2.03 116.25 120.23 1xpj h VAL 29 Ca 0.25 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1xpj h VAL 29 Cb 0.13 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1xpj h VAL 29 CO -0.03 0.19 0.37 0.40 0.02 0.00 0.00 177.57 178.52 1xpj h ILE 30 N -0.10 1.09 -0.90 4.57 2.04 -1.41 -1.82 117.51 120.99 1xpj h ILE 30 Ca 0.02 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1xpj h ILE 30 Cb 0.29 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 1xpj h ILE 30 CO 0.00 0.14 0.59 -0.08 0.00 0.00 0.00 178.15 178.80 1xpj h GLU 31 N 0.74 1.08 -0.45 2.37 4.57 -1.15 -1.27 114.58 120.47 1xpj h GLU 31 Ca 0.23 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 58.27 1xpj h GLU 31 Cb -0.01 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.31 1xpj h GLU 31 CO -0.08 0.72 -0.03 0.37 -1.18 0.00 0.00 179.01 178.80 1xpj h GLN 32 N 1.12 0.76 -0.97 1.92 5.75 -0.85 -2.40 115.11 120.43 1xpj h GLN 32 Ca 0.36 -0.21 0.06 0.00 -0.15 0.00 0.00 58.65 58.71 1xpj h GLN 32 Cb 0.03 -0.08 -0.06 0.00 1.07 0.00 0.00 27.48 28.43 1xpj h GLN 32 CO -0.11 0.79 0.62 -0.07 -2.65 0.00 0.00 178.83 177.41 1xpj h LEU 33 N 0.70 1.00 -0.77 -2.39 3.38 -0.43 -1.88 115.31 114.92 1xpj h LEU 33 Ca 0.13 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1xpj h LEU 33 Cb 0.48 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1xpj h LEU 33 CO 0.02 0.64 0.43 0.03 0.09 0.00 0.00 178.44 179.65 1xpj h ARG 34 N 1.14 1.07 -0.54 1.13 3.08 -0.89 -0.53 114.38 118.84 1xpj h ARG 34 Ca 0.41 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 60.24 1xpj h ARG 34 Cb 0.15 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1xpj h ARG 34 CO -0.17 0.78 -0.06 0.93 -1.07 0.00 0.00 179.97 180.38 1xpj h GLU 35 N 1.06 1.00 -0.45 0.04 4.39 -1.06 -1.88 114.58 117.68 1xpj h GLU 35 Ca 0.27 -0.35 -0.11 0.00 0.34 0.00 0.00 59.36 59.51 1xpj h GLU 35 Cb 0.02 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1xpj h GLU 35 CO -0.05 1.03 -0.18 1.88 -1.16 0.00 0.00 179.01 180.54 1xpj h TYR 36 N 0.88 0.99 -0.89 4.33 -1.99 -1.21 -2.46 116.97 116.61 1xpj h TYR 36 Ca 0.15 -0.22 0.07 0.00 2.00 0.00 0.00 58.73 60.73 1xpj h TYR 36 Cb 0.62 -0.24 -0.06 0.00 2.00 0.00 0.00 36.73 39.05 1xpj h TYR 36 CO 0.04 0.98 0.58 1.25 -0.00 0.00 0.00 178.16 181.02 1xpj h HIS 37 N 0.77 1.03 -0.06 4.88 2.76 -0.93 -1.35 115.15 122.24 1xpj h HIS 37 Ca 0.11 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1xpj h HIS 37 Cb 0.71 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 1xpj h HIS 37 CO 0.04 0.54 -0.11 1.96 -1.30 0.00 0.00 177.93 179.05 1xpj h GLN 38 N 1.01 0.09 0.00 5.26 4.20 -0.90 -1.91 115.11 122.86 1xpj h GLN 38 Ca 0.39 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.08 1xpj h GLN 38 Cb 0.21 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1xpj h GLN 38 CO -0.14 0.21 0.00 1.28 -0.67 0.00 0.00 178.83 179.51 1xpj n LEU 39 N -4.35 0.00 0.00 1.46 4.77 -0.56 -4.90 117.00 113.42 1xpj n LEU 39 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1xpj n LEU 39 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1xpj n LEU 39 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1xpj n GLY 40 N 0.92 0.72 3.74 -0.72 0.00 -0.72 -5.07 105.19 104.05 1xpj n GLY 40 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1xpj n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xpj s PHE 41 N -2.25 3.59 0.22 1.61 0.08 -0.92 -4.77 117.98 115.54 1xpj s PHE 41 Ca 0.00 1.59 -0.25 0.00 0.12 0.00 0.00 56.93 58.39 1xpj s PHE 41 Cb 0.00 -3.28 -0.09 0.00 -0.57 0.00 0.00 43.02 39.09 1xpj s PHE 41 CO 0.00 -0.62 0.83 -1.21 -0.10 0.00 0.00 175.22 174.12 1xpj s GLU 42 N -0.24 4.55 -0.24 0.44 2.02 -0.56 -4.21 118.70 120.45 1xpj s GLU 42 Ca 0.50 1.18 -0.06 0.00 0.02 0.00 0.00 54.97 56.61 1xpj s GLU 42 Cb -0.29 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 30.83 1xpj s GLU 42 CO 0.34 0.47 0.03 0.42 0.02 0.00 0.00 175.26 176.54 1xpj s ILE 43 N -1.33 3.90 -0.27 -1.63 -1.09 -1.26 -0.71 121.20 118.80 1xpj s ILE 43 Ca 0.41 -0.36 -0.02 0.00 -2.23 0.00 0.00 60.65 58.45 1xpj s ILE 43 Cb -0.21 -2.83 0.03 0.00 -1.58 0.00 0.00 42.46 37.87 1xpj s ILE 43 CO 0.26 0.34 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.60 1xpj s VAL 44 N 1.55 3.05 -0.16 2.92 1.01 0.39 -0.74 120.40 128.42 1xpj s VAL 44 Ca 0.06 -1.13 -0.27 0.00 0.00 0.00 0.00 61.98 60.64 1xpj s VAL 44 Cb -0.15 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1xpj s VAL 44 CO 0.01 0.06 0.90 -0.63 0.00 0.00 0.00 175.10 175.44 1xpj s ILE 45 N 1.32 4.83 -0.10 2.22 -1.09 -0.60 -0.03 121.20 127.76 1xpj s ILE 45 Ca -0.02 1.77 0.01 0.00 -2.23 0.00 0.00 60.65 60.18 1xpj s ILE 45 Cb -0.18 -4.20 0.02 0.00 -1.58 0.00 0.00 42.46 36.52 1xpj s ILE 45 CO -0.02 -0.00 -0.10 -0.55 -1.23 0.00 0.00 174.94 173.04 1xpj s SER 46 N 1.15 2.04 -0.04 3.58 0.15 -0.08 -0.19 113.70 120.31 1xpj s SER 46 Ca 0.41 -0.31 -0.06 0.00 0.70 0.00 0.00 55.95 56.69 1xpj s SER 46 Cb -0.17 -0.85 0.01 0.00 -1.71 0.00 0.00 66.02 63.30 1xpj s SER 46 CO 0.13 -0.06 0.15 0.28 1.20 0.00 0.00 173.24 174.94 1xpj s THR 47 N 1.29 0.03 -2.16 6.45 -1.32 -0.56 -3.92 115.64 115.44 1xpj s THR 47 Ca -0.03 -0.26 0.17 0.00 -1.21 0.00 0.00 61.69 60.36 1xpj s THR 47 Cb -0.14 -0.31 0.40 0.00 -1.51 0.00 0.00 72.50 70.95 1xpj s THR 47 CO -0.04 -0.14 1.46 0.00 -2.21 0.00 0.00 174.62 173.69 1xpj n ALA 48 N 2.42 2.50 -1.63 11.08 0.00 -1.26 -2.76 120.51 130.86 1xpj n ALA 48 Ca -0.16 -0.49 -0.48 0.00 0.00 0.00 0.00 53.44 52.30 1xpj n ALA 48 Cb 0.58 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 1xpj n ALA 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1xpj n ARG 49 N 0.25 1.67 -0.96 0.00 0.63 -1.26 -1.27 116.66 115.73 1xpj n ARG 49 Ca 0.14 0.60 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 1xpj n ARG 49 Cb 0.28 -2.29 0.00 0.00 0.45 0.00 0.00 32.46 30.91 1xpj n ARG 49 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1xpj n ASN 50 N 2.82 -4.07 -0.11 6.15 3.02 -1.26 -4.85 115.26 116.96 1xpj n ASN 50 Ca 0.17 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.66 1xpj n ASN 50 Cb 0.25 -2.12 0.13 0.00 -0.61 0.00 0.00 39.78 37.43 1xpj n ASN 50 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1xpj h MET 51 N 0.54 0.81 0.65 3.52 2.86 -1.55 -1.25 114.93 120.50 1xpj h MET 51 Ca 0.00 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.36 1xpj h MET 51 Cb 0.50 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.08 1xpj h MET 51 CO 0.00 0.85 -0.31 -0.09 1.06 0.00 0.00 176.91 178.42 1xpj h ARG 52 N 0.74 -0.84 -0.76 1.72 1.12 -1.90 -0.50 114.38 113.96 1xpj h ARG 52 Ca 0.13 0.06 0.17 0.00 -1.11 0.00 0.00 59.98 59.23 1xpj h ARG 52 Cb 0.53 0.19 -0.14 0.00 -0.01 0.00 0.00 29.97 30.54 1xpj h ARG 52 CO 0.03 -0.56 -0.07 1.15 -3.11 0.00 0.00 179.97 177.41 1xpj h THR 53 N -1.17 0.29 -0.53 0.20 2.02 -1.95 -1.64 112.91 110.13 1xpj h THR 53 Ca -0.09 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1xpj h THR 53 Cb 0.67 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1xpj h THR 53 CO 0.15 0.01 0.00 -1.22 0.37 0.00 0.00 175.52 174.83 1xpj n TYR 54 N -5.41 0.71 -3.79 3.16 4.01 -0.47 -4.95 117.16 110.41 1xpj n TYR 54 Ca 0.13 -0.35 -0.27 0.00 -0.16 0.00 0.00 57.90 57.25 1xpj n TYR 54 Cb 0.45 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.52 1xpj n TYR 54 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1xpj n GLU 55 N 1.29 -5.85 -0.55 -0.72 1.02 -0.62 -2.21 120.64 113.00 1xpj n GLU 55 Ca 0.20 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 1xpj n GLU 55 Cb 0.53 -5.50 0.00 0.00 -0.02 0.00 0.00 31.44 26.45 1xpj n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xpj n GLY 56 N -1.70 1.04 3.56 0.62 0.00 -0.29 -5.00 105.19 103.43 1xpj n GLY 56 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1xpj n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xpj s ASN 57 N -3.06 5.86 0.57 1.61 3.84 -0.94 -4.83 114.94 117.98 1xpj s ASN 57 Ca 0.00 -0.83 0.33 0.00 0.21 0.00 0.00 52.86 52.57 1xpj s ASN 57 Cb 0.00 -2.56 1.68 0.00 -0.55 0.00 0.00 41.25 39.82 1xpj s ASN 57 CO 0.00 -2.07 2.13 -0.37 -2.79 0.00 0.00 177.10 174.00 1xpj h VAL 58 N 6.85 0.28 -0.85 -5.21 -1.51 -1.94 -2.04 116.25 111.82 1xpj h VAL 58 Ca 0.04 -0.40 0.08 0.00 -1.23 0.00 0.00 66.70 65.19 1xpj h VAL 58 Cb 1.03 1.30 -0.07 0.00 -2.13 0.00 0.00 31.29 31.43 1xpj h VAL 58 CO 1.31 0.06 0.51 1.23 -1.23 0.00 0.00 177.57 179.45 1xpj h GLY 59 N 0.95 1.31 0.98 5.19 0.00 -1.99 0.19 103.07 109.70 1xpj h GLY 59 Ca -0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 47.33 46.75 1xpj h GLY 59 CO 0.01 0.18 -0.96 0.50 0.00 0.00 0.00 176.54 176.27 1xpj h LYS 60 N 0.88 0.50 -0.83 4.80 1.79 -1.86 -3.32 116.57 118.52 1xpj h LYS 60 Ca 0.40 -0.65 0.09 0.00 -2.18 0.00 0.00 60.65 58.30 1xpj h LYS 60 Cb 0.30 0.21 -0.07 0.00 -1.58 0.00 0.00 32.23 31.09 1xpj h LYS 60 CO -0.22 1.27 0.48 0.82 -1.08 0.00 0.00 179.45 180.73 1xpj h ILE 61 N 0.03 0.94 -0.40 1.86 2.04 -1.09 0.25 117.51 121.13 1xpj h ILE 61 Ca -0.15 -0.28 0.12 0.00 1.00 0.00 0.00 64.86 65.55 1xpj h ILE 61 Cb 1.68 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1xpj h ILE 61 CO 0.19 0.15 0.29 0.78 0.00 0.00 0.00 178.15 179.56 1xpj h ASN 62 N 0.82 0.00 0.01 1.72 2.35 -0.74 -0.62 115.58 119.12 1xpj h ASN 62 Ca 0.39 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.91 1xpj h ASN 62 Cb 0.32 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 1xpj h ASN 62 CO -0.23 0.00 -1.26 0.40 -1.65 0.00 0.00 177.43 174.69 1xpj h ILE 63 N 0.00 0.92 0.00 2.81 2.04 -1.13 -3.39 117.51 118.76 1xpj h ILE 63 Ca 0.19 -2.19 -0.27 0.00 1.00 0.00 0.00 64.86 63.59 1xpj h ILE 63 Cb 0.77 2.26 -0.05 0.00 -0.74 0.00 0.00 36.82 39.06 1xpj h ILE 63 CO -0.00 0.35 -2.10 1.41 0.00 0.00 0.00 178.15 177.80 1xpj n HIS 64 N -4.39 0.26 -0.12 1.37 8.25 -0.18 -4.60 115.22 115.80 1xpj n HIS 64 Ca -0.32 0.09 -0.25 0.00 -0.26 0.00 0.00 57.72 56.99 1xpj n HIS 64 Cb 0.70 -0.95 -0.11 0.00 1.12 0.00 0.00 29.99 30.74 1xpj n HIS 64 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1xpj n THR 65 N -2.72 1.54 -0.04 1.59 -1.04 -0.28 -4.56 114.28 108.77 1xpj n THR 65 Ca -0.23 -0.41 -0.09 0.00 -2.04 0.00 0.00 64.05 61.29 1xpj n THR 65 Cb 1.00 -1.76 -0.02 0.00 -1.82 0.00 0.00 70.33 67.72 1xpj n THR 65 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1xpj h LEU 66 N -0.62 -0.02 -0.65 -4.42 3.38 -1.64 -2.57 115.31 108.78 1xpj h LEU 66 Ca -0.59 0.04 0.13 0.00 0.09 0.00 0.00 57.88 57.55 1xpj h LEU 66 Cb 1.69 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 42.40 1xpj h LEU 66 CO -0.25 0.02 0.10 -0.65 0.09 0.00 0.00 178.44 177.74 1xpj h PRO 67 N 0.10 0.21 -0.14 1.13 0.11 -1.82 -2.01 132.00 129.57 1xpj h PRO 67 Ca 0.09 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.08 1xpj h PRO 67 Cb 0.10 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1xpj h PRO 67 CO -0.14 0.14 -0.38 0.82 -0.21 0.00 0.00 178.00 178.23 1xpj h ILE 68 N 0.21 1.30 0.26 4.15 2.04 -1.74 -1.66 117.51 122.07 1xpj h ILE 68 Ca 0.35 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 1xpj h ILE 68 Cb 0.56 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1xpj h ILE 68 CO -0.48 0.45 -0.12 0.40 0.00 0.00 0.00 178.15 178.39 1xpj h ILE 69 N 0.26 0.78 -0.10 -0.67 2.04 -1.03 -1.79 117.51 117.00 1xpj h ILE 69 Ca 0.03 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1xpj h ILE 69 Cb 0.80 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1xpj h ILE 69 CO 0.06 0.04 0.03 0.74 0.00 0.00 0.00 178.15 179.03 1xpj h THR 70 N -0.45 1.16 -0.64 -0.27 2.02 -1.22 0.61 112.91 114.12 1xpj h THR 70 Ca -0.04 -0.48 0.13 0.00 0.77 0.00 0.00 66.41 66.80 1xpj h THR 70 Cb 0.34 1.30 -0.11 0.00 -1.74 0.00 0.00 68.15 67.94 1xpj h THR 70 CO 0.06 0.14 0.00 -0.08 0.37 0.00 0.00 175.52 176.01 1xpj h GLU 71 N -0.01 0.12 -0.32 6.66 4.81 -1.37 0.97 114.58 125.44 1xpj h GLU 71 Ca 0.03 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1xpj h GLU 71 Cb 0.19 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1xpj h GLU 71 CO -0.00 0.08 0.04 2.35 -0.73 0.00 0.00 179.01 180.74 1xpj h TRP 72 N 0.12 0.58 -0.20 0.92 7.01 -0.81 -1.19 115.95 122.39 1xpj h TRP 72 Ca 0.34 -0.09 0.03 0.00 2.11 0.00 0.00 58.89 61.27 1xpj h TRP 72 Cb 0.55 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.43 1xpj h TRP 72 CO -0.37 0.64 0.03 -0.07 -2.79 0.00 0.00 178.44 175.88 1xpj h LEU 73 N 0.36 -0.00 -0.43 0.65 3.38 -0.32 -2.14 115.31 116.81 1xpj h LEU 73 Ca 0.10 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1xpj h LEU 73 Cb 0.38 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1xpj h LEU 73 CO 0.01 0.03 0.22 0.44 0.09 0.00 0.00 178.44 179.22 1xpj h ASP 74 N 0.11 0.32 -0.91 -0.43 3.32 -0.72 -1.51 116.42 116.60 1xpj h ASP 74 Ca 0.09 0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.28 1xpj h ASP 74 Cb 0.09 -0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.51 1xpj h ASP 74 CO -0.12 0.23 0.53 0.50 -1.72 0.00 0.00 179.24 178.66 1xpj h LYS 75 N 0.44 0.82 -0.73 3.56 3.64 -0.99 -2.65 116.57 120.66 1xpj h LYS 75 Ca 0.18 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1xpj h LYS 75 Cb 0.08 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1xpj h LYS 75 CO -0.12 0.54 0.00 0.72 -2.27 0.00 0.00 179.45 178.32 1xpj n HIS 76 N -4.72 1.03 -3.65 1.91 8.25 -0.83 -4.95 115.22 112.26 1xpj n HIS 76 Ca 0.17 -0.50 -0.23 0.00 -0.26 0.00 0.00 57.72 56.90 1xpj n HIS 76 Cb 0.35 -0.02 0.06 0.00 1.12 0.00 0.00 29.99 31.49 1xpj n HIS 76 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1xpj n GLN 77 N 1.60 -6.42 -3.09 -0.41 6.02 -0.77 -4.95 117.38 109.35 1xpj n GLN 77 Ca 0.25 0.73 -0.40 0.00 -0.01 0.00 0.00 57.00 57.57 1xpj n GLN 77 Cb 0.64 -5.64 -0.06 0.00 1.02 0.00 0.00 30.24 26.21 1xpj n GLN 77 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xpj s VAL 78 N -3.40 4.99 0.32 5.09 1.01 -0.64 -5.04 120.40 122.73 1xpj s VAL 78 Ca 0.33 1.21 -0.28 0.00 0.00 0.00 0.00 61.98 63.24 1xpj s VAL 78 Cb -0.16 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1xpj s VAL 78 CO 0.77 0.07 1.13 -2.16 0.00 0.00 0.00 175.10 174.91 1xpj s PRO 79 N 2.18 4.46 -0.27 2.72 0.04 -1.26 -4.72 135.00 138.15 1xpj s PRO 79 Ca 0.29 1.82 -0.25 0.00 0.04 0.00 0.00 61.00 62.90 1xpj s PRO 79 Cb -0.16 -3.02 0.07 0.00 0.04 0.00 0.00 34.50 31.44 1xpj s PRO 79 CO 0.10 0.04 0.73 1.52 0.04 0.00 0.00 177.00 179.42 1xpj s TYR 80 N -1.26 -0.78 -0.06 0.56 -0.85 -1.26 -4.89 117.35 108.80 1xpj s TYR 80 Ca 0.49 1.91 0.17 0.00 -0.52 0.00 0.00 57.07 59.11 1xpj s TYR 80 Cb -0.31 0.27 -0.25 0.00 0.38 0.00 0.00 41.96 42.05 1xpj s TYR 80 CO 0.40 -0.38 0.29 -0.25 -1.52 0.00 0.00 175.55 174.09 1xpj n ASP 81 N 2.66 1.00 -3.87 -0.18 8.00 0.08 -4.94 116.55 119.30 1xpj n ASP 81 Ca -0.14 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.25 1xpj n ASP 81 Cb 0.55 1.54 -0.10 0.00 -0.02 0.00 0.00 41.12 43.09 1xpj n ASP 81 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xpj s GLU 82 N -2.98 0.45 -0.05 -1.24 2.02 -1.01 -5.01 118.70 110.89 1xpj s GLU 82 Ca -0.07 -0.36 0.05 0.00 0.02 0.00 0.00 54.97 54.61 1xpj s GLU 82 Cb 0.09 0.19 -0.01 0.00 0.10 0.00 0.00 34.13 34.50 1xpj s GLU 82 CO 0.71 -0.10 -0.21 0.42 0.02 0.00 0.00 175.26 176.09 1xpj s ILE 83 N -1.28 1.75 -0.09 -1.63 1.01 -1.26 -1.56 121.20 118.15 1xpj s ILE 83 Ca -0.14 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1xpj s ILE 83 Cb -0.07 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.93 1xpj s ILE 83 CO 0.01 0.49 -0.07 -0.76 0.00 0.00 0.00 174.94 174.61 1xpj s LEU 84 N -0.12 1.21 0.46 2.97 1.43 0.74 -4.97 118.68 120.40 1xpj s LEU 84 Ca -0.02 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 52.88 1xpj s LEU 84 Cb -0.12 -0.76 -0.00 0.00 0.03 0.00 0.00 46.19 45.33 1xpj s LEU 84 CO 0.03 -0.09 0.37 0.68 0.23 0.00 0.00 176.35 177.56 1xpj s VAL 85 N 1.48 2.26 0.00 -1.59 -7.23 -1.26 -1.50 120.40 112.56 1xpj s VAL 85 Ca 0.00 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1xpj s VAL 85 Cb -0.13 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.11 1xpj s VAL 85 CO -0.05 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 1xpj n GLY 86 N -1.59 0.60 3.73 2.32 0.00 -1.11 -4.86 105.19 104.27 1xpj n GLY 86 Ca 0.02 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1xpj n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xpj n LYS 87 N -2.70 2.34 -1.67 1.61 4.81 -1.12 -4.91 118.16 116.52 1xpj n LYS 87 Ca 0.00 0.82 -0.46 0.00 -0.87 0.00 0.00 58.31 57.80 1xpj n LYS 87 Cb 0.00 -2.48 -0.04 0.00 0.02 0.00 0.00 35.03 32.53 1xpj n LYS 87 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1xpj n PRO 88 N 0.44 2.17 -3.01 1.64 -0.04 -1.26 -4.30 135.00 130.65 1xpj n PRO 88 Ca 0.03 0.78 -0.41 0.00 -0.04 0.00 0.00 63.50 63.87 1xpj n PRO 88 Cb 0.38 -2.55 -0.05 0.00 -0.04 0.00 0.00 33.50 31.23 1xpj n PRO 88 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 1xpj s TRP 89 N 0.96 3.39 -1.50 0.54 -0.00 -1.26 -4.83 118.94 116.23 1xpj s TRP 89 Ca 0.79 1.08 0.30 0.00 -0.00 0.00 0.00 56.10 58.27 1xpj s TRP 89 Cb -0.67 -2.91 1.45 0.00 -0.00 0.00 0.00 33.47 31.34 1xpj s TRP 89 CO 0.38 -0.22 2.01 0.00 -0.00 0.00 0.00 176.95 179.12 1xpj n GLY 91 N 1.27 -1.48 0.21 0.00 0.00 -1.26 -2.91 105.19 101.02 1xpj n GLY 91 Ca 0.15 -1.56 -0.03 0.00 0.00 0.00 0.00 46.02 44.58 1xpj n GLY 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xpj h HIS 92 N 0.00 0.39 -0.02 1.61 3.86 -2.07 -3.08 115.15 115.84 1xpj h HIS 92 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1xpj h HIS 92 Cb 0.00 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1xpj h HIS 92 CO 0.00 0.15 -0.07 -0.25 0.86 0.00 0.00 177.93 178.62 1xpj n ASP 93 N -4.95 2.34 -4.27 2.45 8.00 -1.26 -4.97 116.55 113.88 1xpj n ASP 93 Ca 0.05 -1.73 -0.30 0.00 0.71 0.00 0.00 54.79 53.52 1xpj n ASP 93 Cb 0.18 0.06 0.17 0.00 -0.02 0.00 0.00 41.12 41.52 1xpj n ASP 93 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xpj s GLY 94 N -2.09 1.75 0.17 0.44 0.00 -1.14 -5.11 107.32 101.33 1xpj s GLY 94 Ca 0.29 -1.11 -0.25 0.00 0.00 0.00 0.00 44.72 43.66 1xpj s GLY 94 CO 0.36 -0.39 0.93 -0.11 0.00 0.00 0.00 173.10 173.89 1xpj s PHE 95 N -3.83 -0.14 -0.08 1.90 -0.12 -1.26 -4.90 117.98 109.54 1xpj s PHE 95 Ca 0.72 -0.18 -0.05 0.00 -0.05 0.00 0.00 56.93 57.36 1xpj s PHE 95 Cb -0.05 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 1xpj s PHE 95 CO 0.52 -0.87 0.14 0.71 -0.05 0.00 0.00 175.22 175.68 1xpj s TYR 96 N -3.35 3.56 -0.12 3.49 2.02 -1.26 -5.02 117.35 116.66 1xpj s TYR 96 Ca 0.12 0.46 0.03 0.00 -0.37 0.00 0.00 57.07 57.31 1xpj s TYR 96 Cb -0.02 -1.90 0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1xpj s TYR 96 CO 0.03 0.70 -0.22 0.42 -1.57 0.00 0.00 175.55 174.90 1xpj s ILE 97 N -1.11 2.02 -0.28 2.71 1.01 -1.26 -5.12 121.20 119.17 1xpj s ILE 97 Ca 0.19 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 1xpj s ILE 97 Cb -0.12 -1.78 0.10 0.00 0.01 0.00 0.00 42.46 40.67 1xpj s ILE 97 CO 0.08 0.55 0.76 -0.62 0.00 0.00 0.00 174.94 175.71 1xpj s ASP 98 N 0.64 -0.84 0.44 3.58 -1.08 -1.26 -5.05 116.67 113.11 1xpj s ASP 98 Ca -0.12 1.35 0.30 0.00 -0.52 0.00 0.00 52.55 53.56 1xpj s ASP 98 Cb -0.16 1.35 1.26 0.00 -1.46 0.00 0.00 42.92 43.90 1xpj s ASP 98 CO 0.02 -0.21 1.89 -2.24 0.52 0.00 0.00 175.17 175.15 1xpj h ASP 99 N 6.70 0.00 -0.56 -0.34 2.03 -2.01 -2.84 116.42 119.40 1xpj h ASP 99 Ca -0.30 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 55.74 1xpj h ASP 99 Cb 1.22 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 39.56 1xpj h ASP 99 CO 0.16 0.00 0.16 0.54 -1.03 0.00 0.00 179.24 179.07 1xpj n ARG 100 N -2.74 2.14 -4.03 4.15 5.12 -1.26 -4.77 116.66 115.26 1xpj n ARG 100 Ca 0.01 -3.11 -0.35 0.00 -1.93 0.00 0.00 57.85 52.47 1xpj n ARG 100 Cb 0.26 -1.95 -0.08 0.00 -1.16 0.00 0.00 32.46 29.53 1xpj n ARG 100 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xpj s ALA 101 N -3.22 3.53 0.08 7.54 0.00 -1.07 -5.09 121.76 123.52 1xpj s ALA 101 Ca 0.49 -0.72 0.09 0.00 0.00 0.00 0.00 51.96 51.82 1xpj s ALA 101 Cb 0.43 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 1xpj s ALA 101 CO 0.04 0.40 -0.25 0.14 0.00 0.00 0.00 175.76 176.09 1xpj s VAL 102 N -0.31 2.06 0.49 0.00 -7.23 -1.26 -5.01 120.40 109.13 1xpj s VAL 102 Ca 0.09 -1.50 -0.18 0.00 -1.81 0.00 0.00 61.98 58.58 1xpj s VAL 102 Cb -0.12 -1.80 -0.09 0.00 0.56 0.00 0.00 36.38 34.94 1xpj s VAL 102 CO 0.01 0.20 0.98 -0.13 -0.31 0.00 0.00 175.10 175.85 1xpj s ARG 103 N -1.58 4.00 0.56 4.82 0.52 -1.26 -4.89 118.95 121.11 1xpj s ARG 103 Ca 0.11 1.05 0.23 0.00 -0.52 0.00 0.00 55.73 56.60 1xpj s ARG 103 Cb -0.10 -2.14 1.55 0.00 0.52 0.00 0.00 34.95 34.78 1xpj s ARG 103 CO 0.04 -0.23 2.19 -1.00 0.02 0.00 0.00 175.30 176.32 1xpj h PRO 104 N 1.27 0.00 -0.14 3.54 0.13 -1.93 -0.50 132.00 134.36 1xpj h PRO 104 Ca -0.48 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 1xpj h PRO 104 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1xpj h PRO 104 CO 0.61 0.00 -0.64 0.66 -0.23 0.00 0.00 178.00 178.40 1xpj h SER 105 N 0.00 0.59 -0.46 1.44 4.64 -1.96 -2.15 113.55 115.64 1xpj h SER 105 Ca 0.01 -0.35 -0.09 0.00 -0.47 0.00 0.00 61.79 60.89 1xpj h SER 105 Cb 0.05 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1xpj h SER 105 CO -0.00 1.08 -0.05 -0.33 -0.87 0.00 0.00 176.83 176.66 1xpj h GLU 106 N 0.38 0.85 -0.47 4.77 5.08 -1.51 -2.95 114.58 120.73 1xpj h GLU 106 Ca -0.01 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 1xpj h GLU 106 Cb 1.20 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1xpj h GLU 106 CO 0.12 0.93 0.17 0.35 -1.00 0.00 0.00 179.01 179.57 1xpj h PHE 107 N 0.70 0.69 -0.00 4.33 3.57 -1.22 -1.95 116.94 123.06 1xpj h PHE 107 Ca 0.13 -0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.42 1xpj h PHE 107 Cb 0.58 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1xpj h PHE 107 CO 0.04 0.55 -0.79 0.00 -2.23 0.00 0.00 178.31 175.89 1xpj h ALA 108 N 1.51 0.69 -0.01 2.41 0.00 -1.38 -3.35 119.26 119.14 1xpj h ALA 108 Ca 0.16 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1xpj h ALA 108 Cb 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xpj h ALA 108 CO -0.01 0.95 -0.42 -1.13 0.00 0.00 0.00 179.25 178.64 1xpj n SER 109 N -3.64 1.27 -4.47 0.00 3.41 -1.07 -4.98 113.62 104.15 1xpj n SER 109 Ca -0.01 -1.13 -0.30 0.00 -0.26 0.00 0.00 58.87 57.17 1xpj n SER 109 Cb 0.75 0.63 -0.12 0.00 -0.26 0.00 0.00 64.21 65.22 1xpj n SER 109 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1xpj s MET 110 N -1.96 1.76 0.79 4.33 -1.94 -0.76 -5.08 119.30 116.44 1xpj s MET 110 Ca 0.10 -1.18 -0.09 0.00 -1.71 0.00 0.00 55.69 52.81 1xpj s MET 110 Cb 0.12 -2.09 0.11 0.00 2.01 0.00 0.00 34.83 34.98 1xpj s MET 110 CO 0.44 0.48 1.12 0.54 -0.01 0.00 0.00 175.02 177.59 1xpj s ASN 111 N -2.02 4.27 0.16 3.03 2.20 -1.26 -4.86 114.94 116.46 1xpj s ASN 111 Ca 0.17 0.36 -0.15 0.00 -0.94 0.00 0.00 52.86 52.30 1xpj s ASN 111 Cb -0.10 -0.80 0.08 0.00 -2.00 0.00 0.00 41.25 38.42 1xpj s ASN 111 CO 0.09 -1.98 1.77 0.25 -2.94 0.00 0.00 177.10 174.29 1xpj h LEU 112 N -0.94 0.26 -0.47 3.54 5.85 -1.99 -0.00 115.31 121.56 1xpj h LEU 112 Ca -0.44 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.40 1xpj h LEU 112 Cb 1.29 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.23 1xpj h LEU 112 CO 0.53 0.19 0.04 -0.08 -0.34 0.00 0.00 178.44 178.78 1xpj h GLU 113 N 0.39 0.15 -0.83 1.25 4.81 -1.99 0.38 114.58 118.75 1xpj h GLU 113 Ca 0.18 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1xpj h GLU 113 Cb 0.10 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1xpj h GLU 113 CO -0.14 0.10 0.41 0.93 -0.73 0.00 0.00 179.01 179.58 1xpj h GLU 114 N 0.16 1.19 -0.32 1.92 5.08 -1.75 -1.62 114.58 119.24 1xpj h GLU 114 Ca 0.24 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1xpj h GLU 114 Cb 0.34 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1xpj h GLU 114 CO -0.36 0.91 0.06 0.82 -1.00 0.00 0.00 179.01 179.45 1xpj h ILE 115 N 1.18 1.23 -0.82 3.13 1.08 -0.46 -2.67 117.51 120.18 1xpj h ILE 115 Ca 0.29 -0.78 0.12 0.00 -0.39 0.00 0.00 64.86 64.10 1xpj h ILE 115 Cb 0.11 1.12 -0.06 0.00 -3.07 0.00 0.00 36.82 34.92 1xpj h ILE 115 CO -0.04 0.26 0.53 0.45 -0.69 0.00 0.00 178.15 178.66 1xpj h HIS 116 N 0.36 0.75 -0.45 1.37 3.86 -0.68 -2.18 115.15 118.17 1xpj h HIS 116 Ca 0.10 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.20 1xpj h HIS 116 Cb 0.32 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1xpj h HIS 116 CO 0.02 0.32 -0.24 1.96 0.86 0.00 0.00 177.93 180.85 1xpj h GLN 117 N 0.67 0.95 -0.74 2.45 4.20 -0.98 -1.50 115.11 120.16 1xpj h GLN 117 Ca 0.39 -0.42 0.08 0.00 0.06 0.00 0.00 58.65 58.76 1xpj h GLN 117 Cb 0.59 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.28 1xpj h GLN 117 CO -0.16 1.08 0.42 -0.07 -0.67 0.00 0.00 178.83 179.43 1xpj h LEU 118 N 0.82 0.61 -0.11 1.46 3.38 -1.09 -1.83 115.31 118.54 1xpj h LEU 118 Ca 0.10 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1xpj h LEU 118 Cb 0.81 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1xpj h LEU 118 CO 0.07 0.37 -0.27 -0.26 0.09 0.00 0.00 178.44 178.44 1xpj h PHE 119 N 0.74 0.49 -0.38 1.13 0.04 -1.34 -3.13 116.94 114.49 1xpj h PHE 119 Ca 0.35 -0.19 -0.04 0.00 2.80 0.00 0.00 57.97 60.89 1xpj h PHE 119 Cb 0.26 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1xpj h PHE 119 CO -0.07 0.89 0.07 0.93 -0.60 0.00 0.00 178.31 179.52 1xpj h GLU 120 N -0.04 0.57 0.00 1.51 4.39 -1.13 -1.16 114.58 118.72 1xpj h GLU 120 Ca -0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1xpj h GLU 120 Cb 0.87 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1xpj h GLU 120 CO 0.06 0.54 0.00 1.57 -1.16 0.00 0.00 179.01 180.02 1xpj h LYS 121 N 0.55 0.00 0.00 2.33 2.10 -1.35 -2.26 116.57 117.94 1xpj h LYS 121 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1xpj h LYS 121 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1xpj h LYS 121 CO 0.00 0.00 0.00 1.49 -2.00 0.00 0.00 179.45 178.94 1xpj h GLU 122 N 0.00 0.00 -0.30 0.07 4.57 -1.15 -3.27 114.58 114.50 1xpj h GLU 122 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xpj h GLU 122 Cb 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1xpj h GLU 122 CO 0.00 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.46 1xpj n LYS 123 N -2.95 2.04 0.00 1.92 5.02 -0.85 -5.13 118.16 118.21 1xpj n LYS 123 Ca 0.02 -1.58 0.00 0.00 -2.02 0.00 0.00 58.31 54.73 1xpj n LYS 123 Cb 0.35 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1xpj n LYS 123 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75