#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 0.14 0.10 2.12 -2.85 -1.26 -5.12 119.74 112.87 1xpj s LYS 2 Ca 0.00 0.48 0.10 0.00 -1.00 0.00 0.00 55.97 55.55 1xpj s LYS 2 Cb 0.00 -0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.58 1xpj s LYS 2 CO 0.00 -0.19 -0.25 0.15 0.10 0.00 0.00 175.35 175.17 1xpj s LYS 3 N 1.41 1.38 -0.21 1.78 1.02 -1.26 -1.46 119.74 122.39 1xpj s LYS 3 Ca -0.07 -1.22 -0.10 0.00 0.02 0.00 0.00 55.97 54.60 1xpj s LYS 3 Cb -0.11 -1.73 -0.05 0.00 -0.52 0.00 0.00 37.83 35.42 1xpj s LYS 3 CO -0.07 0.42 0.13 -0.51 -0.92 0.00 0.00 175.35 174.39 1xpj s LEU 4 N -1.81 4.13 -0.39 3.17 1.43 0.35 -4.91 118.68 120.65 1xpj s LEU 4 Ca 0.11 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.27 1xpj s LEU 4 Cb -0.10 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.08 1xpj s LEU 4 CO 0.04 0.15 0.24 -0.63 0.23 0.00 0.00 176.35 176.39 1xpj s ILE 5 N 0.52 4.74 -0.18 -0.59 -1.09 -1.26 -0.62 121.20 122.73 1xpj s ILE 5 Ca 0.07 -0.87 -0.00 0.00 -2.23 0.00 0.00 60.65 57.62 1xpj s ILE 5 Cb -0.12 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 1xpj s ILE 5 CO -0.00 -0.29 -0.14 -0.69 -1.23 0.00 0.00 174.94 172.58 1xpj s VAL 6 N 1.58 2.63 0.86 2.92 1.01 0.47 -4.94 120.40 124.93 1xpj s VAL 6 Ca 0.03 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 1xpj s VAL 6 Cb -0.20 -2.13 0.11 0.00 0.00 0.00 0.00 36.38 34.16 1xpj s VAL 6 CO 0.07 0.50 1.11 -0.62 0.00 0.00 0.00 175.10 176.17 1xpj s ASP 7 N 1.11 3.62 -0.04 3.32 2.15 -1.26 -0.96 116.67 124.61 1xpj s ASP 7 Ca 0.00 1.94 -0.04 0.00 0.43 0.00 0.00 52.55 54.89 1xpj s ASP 7 Cb -0.14 -2.51 -0.01 0.00 -0.30 0.00 0.00 42.92 39.96 1xpj s ASP 7 CO -0.05 -2.62 -0.07 -0.11 -0.17 0.00 0.00 175.17 172.15 1xpj n LEU 8 N -3.91 0.40 -4.67 -1.34 7.94 -1.25 -4.11 117.00 110.06 1xpj n LEU 8 Ca 0.10 0.07 -0.42 0.00 -1.11 0.00 0.00 56.01 54.64 1xpj n LEU 8 Cb 0.53 -0.55 -0.03 0.00 0.53 0.00 0.00 43.42 43.91 1xpj n LEU 8 CO 0.52 -0.45 1.11 -1.81 -1.11 0.00 0.00 177.39 175.64 1xpj s ASP 9 N -4.40 6.90 0.00 1.96 1.01 -1.26 -0.79 116.67 120.10 1xpj s ASP 9 Ca -0.06 1.90 0.00 0.00 0.71 0.00 0.00 52.55 55.10 1xpj s ASP 9 Cb 0.01 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1xpj s ASP 9 CO 0.09 -0.74 0.00 0.61 0.21 0.00 0.00 175.17 175.34 1xpj n GLY 10 N 3.65 2.46 0.40 0.21 0.00 -1.09 -4.81 105.19 106.01 1xpj n GLY 10 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 1.22 0.59 2.61 -1.04 -1.10 -4.67 114.28 109.90 1xpj n THR 11 Ca 0.00 -0.05 0.11 0.00 -2.04 0.00 0.00 64.05 62.07 1xpj n THR 11 Cb 0.00 -1.92 -0.06 0.00 -1.82 0.00 0.00 70.33 66.53 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 -4.00 0.60 -4.49 -4.42 4.77 0.03 -4.77 117.00 104.72 1xpj n LEU 12 Ca -0.25 -0.17 -0.26 0.00 -0.03 0.00 0.00 56.01 55.29 1xpj n LEU 12 Cb 0.58 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1xpj n LEU 12 CO 0.08 0.10 -0.47 0.42 -1.33 0.00 0.00 177.39 176.19 1xpj s THR 13 N -3.20 2.72 -1.77 -5.08 -4.23 -1.14 -0.72 115.64 102.22 1xpj s THR 13 Ca 0.03 -1.98 0.30 0.00 -1.18 0.00 0.00 61.69 58.85 1xpj s THR 13 Cb 0.15 -2.36 0.57 0.00 1.34 0.00 0.00 72.50 72.20 1xpj s THR 13 CO 0.85 -0.19 1.96 0.00 -0.54 0.00 0.00 174.62 176.69 1xpj n GLN 14 N -0.06 0.81 -4.08 3.99 6.02 0.88 -2.67 117.38 122.27 1xpj n GLN 14 Ca -0.10 -0.22 -0.32 0.00 -0.01 0.00 0.00 57.00 56.35 1xpj n GLN 14 Cb 0.57 -1.50 -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 -0.91 -1.42 0.60 -1.58 0.00 -1.26 -4.87 120.51 111.08 1xpj n ALA 15 Ca 0.17 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1xpj n ALA 15 Cb 0.24 -3.37 0.18 0.00 0.00 0.00 0.00 19.45 16.50 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 -2.77 0.68 -3.79 0.00 6.94 -1.26 -4.93 115.26 110.13 1xpj n ASN 16 Ca -0.01 0.10 -0.12 0.00 -0.02 0.00 0.00 54.58 54.53 1xpj n ASN 16 Cb 0.54 0.16 -0.08 0.00 -2.36 0.00 0.00 39.78 38.04 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 -3.16 0.07 -0.11 5.53 -1.32 -1.26 -5.05 115.64 110.36 1xpj s THR 17 Ca 0.07 -0.62 0.22 0.00 -1.21 0.00 0.00 61.69 60.15 1xpj s THR 17 Cb 0.14 -0.71 0.23 0.00 -1.51 0.00 0.00 72.50 70.65 1xpj s THR 17 CO 0.72 -0.34 1.68 0.77 -2.21 0.00 0.00 174.62 175.24 1xpj h SER 18 N 3.70 0.00 -1.47 8.08 4.64 -2.00 -3.41 113.55 123.10 1xpj h SER 18 Ca -0.31 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.61 1xpj h SER 18 Cb 1.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 1xpj h SER 18 CO 0.43 0.22 1.12 -0.62 -0.87 0.00 0.00 176.83 177.10 1xpj s ASP 19 N -6.21 5.09 0.43 4.97 -1.08 -1.26 -4.88 116.67 113.72 1xpj s ASP 19 Ca 0.03 0.06 0.09 0.00 -0.52 0.00 0.00 52.55 52.21 1xpj s ASP 19 Cb 0.08 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.93 1xpj s ASP 19 CO 0.67 -2.61 2.07 1.88 0.52 0.00 0.00 175.17 177.69 1xpj h TYR 20 N 14.08 0.42 -0.46 -5.34 0.05 -1.99 -2.03 116.97 121.70 1xpj h TYR 20 Ca -0.13 0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.75 1xpj h TYR 20 Cb 1.11 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.69 1xpj h TYR 20 CO 1.10 0.27 0.32 -0.09 -1.05 0.00 0.00 178.16 178.71 1xpj h ARG 21 N 0.45 0.22 -0.09 4.88 2.43 -1.90 -3.17 114.38 117.21 1xpj h ARG 21 Ca 0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1xpj h ARG 21 Cb -0.05 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1xpj h ARG 21 CO -0.03 0.15 0.00 0.09 -1.51 0.00 0.00 179.97 178.67 1xpj n ASN 22 N -4.46 2.22 -4.77 -3.80 3.02 -0.80 -4.93 115.26 101.74 1xpj n ASN 22 Ca 0.07 -1.98 -0.41 0.00 -0.03 0.00 0.00 54.58 52.24 1xpj n ASN 22 Cb 0.37 -0.06 -0.01 0.00 -0.61 0.00 0.00 39.78 39.47 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 -0.98 2.25 0.25 2.41 0.11 -0.98 -4.97 120.40 118.49 1xpj s VAL 23 Ca 0.06 0.24 -0.30 0.00 -2.93 0.00 0.00 61.98 59.06 1xpj s VAL 23 Cb 0.03 -3.16 -0.09 0.00 -1.53 0.00 0.00 36.38 31.63 1xpj s VAL 23 CO 0.04 0.06 1.20 -0.76 -3.33 0.00 0.00 175.10 172.31 1xpj s LEU 24 N -1.85 4.48 0.47 2.54 1.43 -1.26 -4.91 118.68 119.58 1xpj s LEU 24 Ca 0.53 2.36 -0.21 0.00 -1.03 0.00 0.00 54.13 55.78 1xpj s LEU 24 Cb -0.45 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.07 1xpj s LEU 24 CO 0.59 -0.34 1.05 -2.16 0.23 0.00 0.00 176.35 175.72 1xpj s PRO 25 N -1.00 3.84 -0.73 1.29 0.04 -1.26 -0.08 135.00 137.10 1xpj s PRO 25 Ca 0.49 1.42 -0.20 0.00 0.04 0.00 0.00 61.00 62.75 1xpj s PRO 25 Cb -0.34 -2.19 0.10 0.00 0.04 0.00 0.00 34.50 32.11 1xpj s PRO 25 CO 0.42 -0.41 0.95 1.03 0.04 0.00 0.00 177.00 179.03 1xpj s ARG 26 N -3.07 3.25 0.20 4.56 0.52 0.10 -4.58 118.95 119.94 1xpj s ARG 26 Ca 0.66 -1.27 -0.09 0.00 -0.52 0.00 0.00 55.73 54.51 1xpj s ARG 26 Cb -0.18 -4.45 0.13 0.00 0.52 0.00 0.00 34.95 30.96 1xpj s ARG 26 CO 0.22 -1.73 1.75 -0.07 0.02 0.00 0.00 175.30 175.50 1xpj h LEU 27 N 10.65 1.03 -0.86 2.53 3.38 -1.95 -2.30 115.31 127.79 1xpj h LEU 27 Ca -0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1xpj h LEU 27 Cb 1.06 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1xpj h LEU 27 CO 1.13 0.94 0.53 -2.24 0.09 0.00 0.00 178.44 178.89 1xpj h ASP 28 N 1.06 1.02 -0.11 -0.43 2.03 -1.99 -1.26 116.42 116.75 1xpj h ASP 28 Ca 0.24 -0.06 -0.02 0.00 -0.73 0.00 0.00 57.03 56.47 1xpj h ASP 28 Cb 0.25 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 38.49 1xpj h ASP 28 CO -0.02 0.78 -0.01 0.58 -1.03 0.00 0.00 179.24 179.55 1xpj h VAL 29 N 1.18 1.26 -0.65 4.15 2.07 -1.83 -2.42 116.25 120.01 1xpj h VAL 29 Ca 0.31 -0.84 0.04 0.00 0.82 0.00 0.00 66.70 67.03 1xpj h VAL 29 Cb -0.07 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1xpj h VAL 29 CO -0.06 0.24 0.38 0.40 0.02 0.00 0.00 177.57 178.55 1xpj h ILE 30 N -0.10 1.03 -0.71 4.57 2.04 -1.35 -2.08 117.51 120.91 1xpj h ILE 30 Ca 0.03 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1xpj h ILE 30 Cb 0.38 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1xpj h ILE 30 CO 0.01 0.13 0.40 -0.08 0.00 0.00 0.00 178.15 178.61 1xpj h GLU 31 N 0.73 0.97 -0.72 2.37 4.57 -1.18 -1.94 114.58 119.38 1xpj h GLU 31 Ca 0.28 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.30 1xpj h GLU 31 Cb 0.10 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 1xpj h GLU 31 CO -0.14 0.70 0.22 0.37 -1.18 0.00 0.00 179.01 178.97 1xpj h GLN 32 N 0.98 1.11 -0.59 1.92 5.75 -0.88 -2.49 115.11 120.92 1xpj h GLN 32 Ca 0.25 -0.24 0.09 0.00 -0.15 0.00 0.00 58.65 58.61 1xpj h GLN 32 Cb -0.00 -0.16 -0.07 0.00 1.07 0.00 0.00 27.48 28.31 1xpj h GLN 32 CO -0.04 0.95 0.21 -0.07 -2.65 0.00 0.00 178.83 177.22 1xpj h LEU 33 N 1.07 0.19 -0.85 -2.39 3.38 -0.76 -1.66 115.31 114.29 1xpj h LEU 33 Ca 0.23 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.34 1xpj h LEU 33 Cb 0.30 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1xpj h LEU 33 CO -0.01 0.12 0.52 0.03 0.09 0.00 0.00 178.44 179.19 1xpj h ARG 34 N 0.38 0.92 -0.29 1.13 3.08 -1.02 0.18 114.38 118.76 1xpj h ARG 34 Ca 0.30 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.18 1xpj h ARG 34 Cb 0.37 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1xpj h ARG 34 CO -0.31 0.61 -0.29 0.93 -1.07 0.00 0.00 179.97 179.84 1xpj h GLU 35 N 0.95 0.60 -0.29 0.04 4.39 -1.03 -2.12 114.58 117.12 1xpj h GLU 35 Ca 0.37 -0.26 -0.17 0.00 0.34 0.00 0.00 59.36 59.65 1xpj h GLU 35 Cb 0.18 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1xpj h GLU 35 CO -0.18 0.83 -0.49 1.88 -1.16 0.00 0.00 179.01 179.89 1xpj h TYR 36 N 0.52 0.98 -0.97 4.33 -1.99 -0.52 -2.70 116.97 116.61 1xpj h TYR 36 Ca 0.06 -0.33 0.08 0.00 2.00 0.00 0.00 58.73 60.55 1xpj h TYR 36 Cb 0.77 -0.19 -0.07 0.00 2.00 0.00 0.00 36.73 39.23 1xpj h TYR 36 CO 0.03 1.12 0.62 1.25 -0.00 0.00 0.00 178.16 181.18 1xpj h HIS 37 N 0.62 1.14 0.00 4.88 2.76 -0.55 -1.16 115.15 122.84 1xpj h HIS 37 Ca 0.03 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 1xpj h HIS 37 Cb 1.07 -0.37 -0.00 0.00 1.55 0.00 0.00 27.41 29.66 1xpj h HIS 37 CO 0.06 0.55 -0.10 1.96 -1.30 0.00 0.00 177.93 179.10 1xpj h GLN 38 N 1.09 0.00 -0.02 5.26 4.20 -1.15 -2.14 115.11 122.35 1xpj h GLN 38 Ca 0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.15 1xpj h GLN 38 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1xpj h GLN 38 CO -0.20 0.10 0.00 1.28 -0.67 0.00 0.00 178.83 179.34 1xpj n LEU 39 N -4.24 0.48 0.00 1.46 4.77 -0.47 -4.92 117.00 114.08 1xpj n LEU 39 Ca -0.03 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1xpj n LEU 39 Cb 0.18 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1xpj n LEU 39 CO 0.34 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1xpj n GLY 40 N 1.00 0.31 3.74 -0.72 0.00 -0.80 -5.07 105.19 103.65 1xpj n GLY 40 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.08 3.21 0.26 1.61 0.08 -0.99 -4.78 117.98 115.29 1xpj s PHE 41 Ca 0.00 1.16 -0.23 0.00 0.12 0.00 0.00 56.93 57.98 1xpj s PHE 41 Cb 0.00 -3.66 -0.09 0.00 -0.57 0.00 0.00 43.02 38.71 1xpj s PHE 41 CO 0.00 -2.09 0.83 -1.21 -0.10 0.00 0.00 175.22 172.66 1xpj s GLU 42 N -0.08 4.45 -0.26 0.44 2.02 -0.54 -4.26 118.70 120.47 1xpj s GLU 42 Ca 0.58 1.12 -0.04 0.00 0.02 0.00 0.00 54.97 56.65 1xpj s GLU 42 Cb -0.38 -2.90 0.01 0.00 0.10 0.00 0.00 34.13 30.97 1xpj s GLU 42 CO 0.39 0.37 0.01 0.42 0.02 0.00 0.00 175.26 176.46 1xpj s ILE 43 N -1.52 3.46 -0.29 -1.63 -1.09 -1.26 -0.49 121.20 118.38 1xpj s ILE 43 Ca 0.45 -0.78 -0.04 0.00 -2.23 0.00 0.00 60.65 58.05 1xpj s ILE 43 Cb -0.18 -2.74 0.03 0.00 -1.58 0.00 0.00 42.46 37.98 1xpj s ILE 43 CO 0.23 0.18 0.03 -0.69 -1.23 0.00 0.00 174.94 173.46 1xpj s VAL 44 N 1.43 3.44 -0.21 2.92 1.01 0.21 -0.21 120.40 128.98 1xpj s VAL 44 Ca 0.02 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.72 1xpj s VAL 44 Cb -0.16 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1xpj s VAL 44 CO -0.01 0.03 0.98 -0.63 0.00 0.00 0.00 175.10 175.47 1xpj s ILE 45 N 1.38 4.74 -0.11 2.22 -1.09 -0.41 -0.39 121.20 127.53 1xpj s ILE 45 Ca -0.00 1.92 0.02 0.00 -2.23 0.00 0.00 60.65 60.35 1xpj s ILE 45 Cb -0.18 -4.26 0.02 0.00 -1.58 0.00 0.00 42.46 36.45 1xpj s ILE 45 CO -0.00 -0.12 -0.15 -0.55 -1.23 0.00 0.00 174.94 172.89 1xpj s SER 46 N 1.21 2.43 -0.04 3.58 0.15 -0.14 -0.10 113.70 120.79 1xpj s SER 46 Ca 0.43 -0.42 -0.05 0.00 0.70 0.00 0.00 55.95 56.60 1xpj s SER 46 Cb -0.16 -1.08 0.01 0.00 -1.71 0.00 0.00 66.02 63.08 1xpj s SER 46 CO 0.08 0.01 0.13 0.28 1.20 0.00 0.00 173.24 174.94 1xpj s THR 47 N 1.04 0.02 -2.19 6.45 -1.32 -0.37 -3.93 115.64 115.34 1xpj s THR 47 Ca -0.06 -0.18 0.22 0.00 -1.21 0.00 0.00 61.69 60.46 1xpj s THR 47 Cb -0.15 -0.25 0.53 0.00 -1.51 0.00 0.00 72.50 71.12 1xpj s THR 47 CO -0.02 -0.10 1.68 0.00 -2.21 0.00 0.00 174.62 173.96 1xpj n ALA 48 N 2.62 2.57 -1.61 11.08 0.00 -1.26 -2.79 120.51 131.12 1xpj n ALA 48 Ca -0.15 -0.35 -0.51 0.00 0.00 0.00 0.00 53.44 52.43 1xpj n ALA 48 Cb 0.58 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.17 1.37 -1.06 0.00 0.63 -1.26 -0.83 116.66 115.33 1xpj n ARG 49 Ca 0.16 0.49 -0.02 0.00 -0.92 0.00 0.00 57.85 57.57 1xpj n ARG 49 Cb 0.23 -2.17 -0.01 0.00 0.45 0.00 0.00 32.46 30.96 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 2.91 -4.82 0.05 6.15 3.02 -1.26 -4.83 115.26 116.48 1xpj n ASN 50 Ca 0.19 0.05 -0.04 0.00 -0.03 0.00 0.00 54.58 54.75 1xpj n ASN 50 Cb 0.21 -2.51 0.18 0.00 -0.61 0.00 0.00 39.78 37.05 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 0.32 0.38 0.30 3.52 2.86 -1.34 -2.47 114.93 118.50 1xpj h MET 51 Ca -0.04 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1xpj h MET 51 Cb 0.66 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1xpj h MET 51 CO 0.06 0.72 -0.14 -0.09 1.06 0.00 0.00 176.91 178.52 1xpj h ARG 52 N 0.32 -0.39 -0.89 1.72 2.43 -1.90 -0.18 114.38 115.50 1xpj h ARG 52 Ca 0.03 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.41 1xpj h ARG 52 Cb 0.83 0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 30.36 1xpj h ARG 52 CO 0.07 -0.05 0.45 1.15 -1.51 0.00 0.00 179.97 180.07 1xpj h THR 53 N -0.91 0.64 -0.52 0.20 2.02 -1.96 -2.44 112.91 109.94 1xpj h THR 53 Ca -0.04 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1xpj h THR 53 Cb 0.51 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1xpj h THR 53 CO 0.07 0.10 0.00 -1.22 0.37 0.00 0.00 175.52 174.84 1xpj n TYR 54 N -4.92 0.68 -3.73 3.16 4.01 -0.93 -4.96 117.16 110.48 1xpj n TYR 54 Ca 0.20 -0.38 -0.25 0.00 -0.16 0.00 0.00 57.90 57.31 1xpj n TYR 54 Cb 0.53 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.61 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 1.41 -6.06 -0.95 -0.72 1.02 -0.55 -2.13 120.64 112.66 1xpj n GLU 55 Ca 0.20 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 58.03 1xpj n GLU 55 Cb 0.58 -5.54 0.00 0.00 -0.02 0.00 0.00 31.44 26.46 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 -1.67 0.79 3.56 0.62 0.00 -0.19 -4.97 105.19 103.32 1xpj n GLY 56 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.58 5.81 0.35 1.61 3.84 -0.91 -4.85 114.94 118.22 1xpj s ASN 57 Ca 0.00 -0.76 0.07 0.00 0.21 0.00 0.00 52.86 52.38 1xpj s ASN 57 Cb 0.00 -2.56 0.75 0.00 -0.55 0.00 0.00 41.25 38.89 1xpj s ASN 57 CO 0.00 -2.10 1.92 0.58 -2.79 0.00 0.00 177.10 174.71 1xpj h VAL 58 N 6.83 0.96 -0.73 -5.21 2.07 -1.93 -2.16 116.25 116.08 1xpj h VAL 58 Ca 0.02 -0.26 0.14 0.00 0.82 0.00 0.00 66.70 67.42 1xpj h VAL 58 Cb 1.04 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1xpj h VAL 58 CO 1.30 0.14 0.49 1.23 0.02 0.00 0.00 177.57 180.75 1xpj h GLY 59 N 0.76 0.67 0.90 2.17 0.00 -1.99 0.24 103.07 105.82 1xpj h GLY 59 Ca 0.37 -0.17 -0.33 0.00 0.00 0.00 0.00 47.33 47.19 1xpj h GLY 59 CO -0.14 0.06 -1.63 0.50 0.00 0.00 0.00 176.54 175.33 1xpj h LYS 60 N 0.40 0.39 -0.89 4.80 1.57 -1.83 -3.34 116.57 117.68 1xpj h LYS 60 Ca 0.36 -0.67 0.04 0.00 -1.87 0.00 0.00 60.65 58.51 1xpj h LYS 60 Cb 0.83 0.25 -0.06 0.00 0.08 0.00 0.00 32.23 33.33 1xpj h LYS 60 CO -0.11 1.32 0.57 0.82 -0.57 0.00 0.00 179.45 181.48 1xpj h ILE 61 N 0.03 1.11 -0.39 1.86 2.04 -0.84 -0.41 117.51 120.90 1xpj h ILE 61 Ca -0.32 -0.37 0.10 0.00 1.00 0.00 0.00 64.86 65.27 1xpj h ILE 61 Cb 2.04 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1xpj h ILE 61 CO 0.17 0.20 0.28 0.78 0.00 0.00 0.00 178.15 179.58 1xpj h ASN 62 N 1.07 0.07 0.02 1.72 2.35 -0.68 -1.36 115.58 118.78 1xpj h ASN 62 Ca 0.37 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.88 1xpj h ASN 62 Cb 0.07 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1xpj h ASN 62 CO -0.14 0.05 -1.30 0.40 -1.65 0.00 0.00 177.43 174.79 1xpj h ILE 63 N 0.08 0.92 0.00 2.81 2.04 -1.35 -3.38 117.51 118.62 1xpj h ILE 63 Ca 0.18 -2.21 -0.07 0.00 1.00 0.00 0.00 64.86 63.77 1xpj h ILE 63 Cb 0.63 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 1xpj h ILE 63 CO -0.02 0.40 -1.95 1.41 0.00 0.00 0.00 178.15 178.00 1xpj n HIS 64 N -4.31 0.13 -0.11 1.37 8.25 -0.28 -4.63 115.22 115.64 1xpj n HIS 64 Ca -0.31 0.04 -0.22 0.00 -0.26 0.00 0.00 57.72 56.97 1xpj n HIS 64 Cb 0.72 -0.65 -0.09 0.00 1.12 0.00 0.00 29.99 31.10 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 -2.40 1.26 -0.10 1.59 -1.04 -0.54 -4.64 114.28 108.39 1xpj n THR 65 Ca -0.09 -0.37 -0.06 0.00 -2.04 0.00 0.00 64.05 61.50 1xpj n THR 65 Cb 0.67 -1.65 0.02 0.00 -1.82 0.00 0.00 70.33 67.55 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 -0.58 0.08 -0.78 -4.42 3.38 -1.66 -2.44 115.31 108.89 1xpj h LEU 66 Ca -0.55 0.05 0.14 0.00 0.09 0.00 0.00 57.88 57.60 1xpj h LEU 66 Cb 1.58 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 42.29 1xpj h LEU 66 CO -0.27 0.08 0.35 -0.65 0.09 0.00 0.00 178.44 178.04 1xpj h PRO 67 N 0.23 0.50 -0.16 1.13 0.11 -1.82 -1.87 132.00 130.13 1xpj h PRO 67 Ca 0.16 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 66.04 1xpj h PRO 67 Cb 0.16 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1xpj h PRO 67 CO -0.19 0.33 -0.70 0.82 -0.21 0.00 0.00 178.00 178.06 1xpj h ILE 68 N 0.52 1.31 0.01 4.15 2.04 -1.75 -1.42 117.51 122.37 1xpj h ILE 68 Ca 0.42 -1.95 0.03 0.00 1.00 0.00 0.00 64.86 64.36 1xpj h ILE 68 Cb 0.60 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 38.56 1xpj h ILE 68 CO -0.37 0.61 -0.35 0.40 0.00 0.00 0.00 178.15 178.44 1xpj h ILE 69 N 0.48 0.26 -0.21 -0.67 2.04 -1.06 -1.14 117.51 117.20 1xpj h ILE 69 Ca -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1xpj h ILE 69 Cb 1.30 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1xpj h ILE 69 CO 0.14 0.00 0.01 0.71 0.00 0.00 0.00 178.15 179.01 1xpj h THR 70 N -0.51 1.25 -0.76 -0.27 1.35 -1.21 0.36 112.91 113.12 1xpj h THR 70 Ca 0.06 -0.85 0.16 0.00 -0.55 0.00 0.00 66.41 65.23 1xpj h THR 70 Cb 0.59 1.39 -0.11 0.00 -1.73 0.00 0.00 68.15 68.29 1xpj h THR 70 CO -0.28 0.26 0.22 -0.08 -0.25 0.00 0.00 175.52 175.39 1xpj h GLU 71 N 0.14 0.30 -0.24 4.72 4.81 -1.25 0.59 114.58 123.65 1xpj h GLU 71 Ca 0.06 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.09 1xpj h GLU 71 Cb 0.38 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1xpj h GLU 71 CO 0.01 0.20 -0.57 2.35 -0.73 0.00 0.00 179.01 180.26 1xpj h TRP 72 N 0.31 1.04 -0.21 0.92 7.01 -0.52 -1.85 115.95 122.65 1xpj h TRP 72 Ca 0.43 -0.39 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 1xpj h TRP 72 Cb 0.74 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 1xpj h TRP 72 CO -0.24 1.22 0.12 -0.07 -2.79 0.00 0.00 178.44 176.68 1xpj h LEU 73 N 0.57 0.25 -0.59 0.65 3.38 -0.41 -2.55 115.31 116.60 1xpj h LEU 73 Ca -0.00 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1xpj h LEU 73 Cb 1.19 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1xpj h LEU 73 CO 0.13 0.23 0.35 0.44 0.09 0.00 0.00 178.44 179.67 1xpj h ASP 74 N 0.25 0.55 -0.18 -0.43 3.32 -0.87 -1.59 116.42 117.47 1xpj h ASP 74 Ca 0.07 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1xpj h ASP 74 Cb 0.03 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1xpj h ASP 74 CO -0.01 0.38 0.02 0.50 -1.72 0.00 0.00 179.24 178.40 1xpj h LYS 75 N 0.67 0.42 -0.74 3.56 3.64 -1.18 -2.59 116.57 120.35 1xpj h LYS 75 Ca 0.24 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1xpj h LYS 75 Cb 0.06 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1xpj h LYS 75 CO -0.12 0.44 0.00 0.72 -2.27 0.00 0.00 179.45 178.21 1xpj n HIS 76 N -4.33 0.99 -3.88 1.91 8.25 -0.98 -4.96 115.22 112.23 1xpj n HIS 76 Ca 0.01 -0.50 -0.26 0.00 -0.26 0.00 0.00 57.72 56.70 1xpj n HIS 76 Cb 0.21 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.33 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 1.67 -4.56 -2.91 -0.41 6.02 -0.86 -4.95 117.38 111.38 1xpj n GLN 77 Ca 0.25 0.54 -0.41 0.00 -0.01 0.00 0.00 57.00 57.36 1xpj n GLN 77 Cb 0.63 -5.12 -0.04 0.00 1.02 0.00 0.00 30.24 26.73 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 -3.59 4.87 0.30 5.09 1.01 -0.65 -5.04 120.40 122.40 1xpj s VAL 78 Ca 0.28 1.57 -0.28 0.00 0.00 0.00 0.00 61.98 63.55 1xpj s VAL 78 Cb -0.14 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 1xpj s VAL 78 CO 0.85 -0.01 1.07 -2.16 0.00 0.00 0.00 175.10 174.85 1xpj s PRO 79 N 2.44 4.55 -0.23 2.72 0.04 -1.26 -4.70 135.00 138.56 1xpj s PRO 79 Ca 0.36 1.70 -0.18 0.00 0.04 0.00 0.00 61.00 62.92 1xpj s PRO 79 Cb -0.16 -3.05 0.06 0.00 0.04 0.00 0.00 34.50 31.40 1xpj s PRO 79 CO 0.10 0.16 0.60 1.52 0.04 0.00 0.00 177.00 179.43 1xpj s TYR 80 N -1.28 -0.76 -0.11 0.56 -0.85 -1.26 -4.89 117.35 108.75 1xpj s TYR 80 Ca 0.47 1.71 0.20 0.00 -0.52 0.00 0.00 57.07 58.93 1xpj s TYR 80 Cb -0.29 0.33 -0.26 0.00 0.38 0.00 0.00 41.96 42.12 1xpj s TYR 80 CO 0.37 -0.38 0.40 -0.25 -1.52 0.00 0.00 175.55 174.17 1xpj n ASP 81 N 3.33 0.15 -3.86 -0.18 8.00 0.70 -4.95 116.55 119.76 1xpj n ASP 81 Ca -0.17 0.07 -0.11 0.00 0.71 0.00 0.00 54.79 55.29 1xpj n ASP 81 Cb 0.56 1.31 -0.10 0.00 -0.02 0.00 0.00 41.12 42.88 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 -3.05 0.51 -0.04 -1.24 2.02 -0.88 -5.00 118.70 111.01 1xpj s GLU 82 Ca -0.08 -0.38 0.05 0.00 0.02 0.00 0.00 54.97 54.58 1xpj s GLU 82 Cb 0.10 0.21 -0.00 0.00 0.10 0.00 0.00 34.13 34.54 1xpj s GLU 82 CO 0.86 -0.13 -0.18 0.42 0.02 0.00 0.00 175.26 176.26 1xpj s ILE 83 N -1.39 1.49 -0.07 -1.63 1.01 -1.26 -1.29 121.20 118.06 1xpj s ILE 83 Ca -0.15 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1xpj s ILE 83 Cb -0.07 -1.28 0.02 0.00 0.01 0.00 0.00 42.46 41.14 1xpj s ILE 83 CO 0.02 0.43 -0.08 -0.76 0.00 0.00 0.00 174.94 174.55 1xpj s LEU 84 N -0.02 1.36 0.52 2.97 1.43 0.86 -4.97 118.68 120.84 1xpj s LEU 84 Ca -0.03 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1xpj s LEU 84 Cb -0.11 -0.67 0.02 0.00 0.03 0.00 0.00 46.19 45.46 1xpj s LEU 84 CO 0.02 -0.04 0.29 0.68 0.23 0.00 0.00 176.35 177.52 1xpj s VAL 85 N 1.06 1.61 0.00 -1.59 -7.23 -1.26 -1.23 120.40 111.75 1xpj s VAL 85 Ca -0.08 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1xpj s VAL 85 Cb -0.14 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1xpj s VAL 85 CO -0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1xpj n GLY 86 N -1.59 0.46 3.76 2.32 0.00 -1.12 -4.86 105.19 104.15 1xpj n GLY 86 Ca -0.06 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1xpj n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xpj s LYS 87 N -1.78 4.31 0.08 1.61 2.20 -1.13 -4.92 119.74 120.11 1xpj s LYS 87 Ca 0.00 2.26 -0.34 0.00 -0.36 0.00 0.00 55.97 57.52 1xpj s LYS 87 Cb 0.00 -3.09 -0.14 0.00 -1.51 0.00 0.00 37.83 33.09 1xpj s LYS 87 CO 0.00 -0.31 1.62 -0.35 -0.36 0.00 0.00 175.35 175.96 1xpj n PRO 88 N 1.55 2.01 -3.02 4.03 -0.04 -1.26 -4.22 135.00 134.05 1xpj n PRO 88 Ca 0.03 0.73 -0.41 0.00 -0.04 0.00 0.00 63.50 63.81 1xpj n PRO 88 Cb 0.41 -2.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.32 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 1.64 3.26 -0.14 0.54 -0.00 -1.26 -4.85 118.94 118.13 1xpj s TRP 89 Ca 0.83 0.87 0.30 0.00 -0.00 0.00 0.00 56.10 58.09 1xpj s TRP 89 Cb -0.72 -2.99 1.16 0.00 -0.00 0.00 0.00 33.47 30.92 1xpj s TRP 89 CO 0.43 -0.41 1.87 0.00 -0.00 0.00 0.00 176.95 178.84 1xpj n GLY 91 N 0.15 0.04 0.20 0.00 0.00 -1.26 -3.52 105.19 100.80 1xpj n GLY 91 Ca 0.01 -1.83 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 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 0.27 -0.25 1.61 3.86 -2.07 -2.95 115.15 115.63 1xpj h HIS 92 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1xpj h HIS 92 Cb 0.00 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1xpj h HIS 92 CO 0.00 0.07 0.00 -0.25 0.86 0.00 0.00 177.93 178.61 1xpj n ASP 93 N -5.04 3.28 -4.50 2.45 8.00 -1.26 -4.99 116.55 114.49 1xpj n ASP 93 Ca 0.06 -1.99 -0.27 0.00 0.71 0.00 0.00 54.79 53.29 1xpj n ASP 93 Cb 0.22 -0.15 0.13 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.70 1.75 0.15 0.44 0.00 -1.12 -5.12 107.32 101.73 1xpj s GLY 94 Ca 0.35 -1.32 -0.25 0.00 0.00 0.00 0.00 44.72 43.50 1xpj s GLY 94 CO 0.31 -0.69 1.01 -0.11 0.00 0.00 0.00 173.10 173.62 1xpj s PHE 95 N -3.50 -0.07 -0.11 1.90 -0.12 -1.26 -4.86 117.98 109.97 1xpj s PHE 95 Ca 0.68 -0.25 -0.04 0.00 -0.05 0.00 0.00 56.93 57.28 1xpj s PHE 95 Cb -0.06 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 1xpj s PHE 95 CO 0.48 -0.81 0.04 -0.47 -0.05 0.00 0.00 175.22 174.41 1xpj s TYR 96 N -2.92 3.27 -0.11 3.49 5.04 -1.26 -5.01 117.35 119.86 1xpj s TYR 96 Ca 0.15 0.25 0.03 0.00 -2.44 0.00 0.00 57.07 55.06 1xpj s TYR 96 Cb -0.01 -1.86 0.01 0.00 0.35 0.00 0.00 41.96 40.44 1xpj s TYR 96 CO 0.03 0.49 -0.21 0.42 -1.34 0.00 0.00 175.55 174.94 1xpj s ILE 97 N -0.74 1.84 -0.28 3.14 1.01 -1.26 -5.12 121.20 119.79 1xpj s ILE 97 Ca 0.12 -0.88 -0.20 0.00 0.00 0.00 0.00 60.65 59.70 1xpj s ILE 97 Cb -0.12 -1.62 0.11 0.00 0.01 0.00 0.00 42.46 40.84 1xpj s ILE 97 CO 0.02 0.51 0.85 -0.62 0.00 0.00 0.00 174.94 175.71 1xpj s ASP 98 N 0.59 -0.68 0.30 3.58 -1.08 -1.26 -5.05 116.67 113.07 1xpj s ASP 98 Ca -0.14 1.16 0.26 0.00 -0.52 0.00 0.00 52.55 53.31 1xpj s ASP 98 Cb -0.17 1.24 0.97 0.00 -1.46 0.00 0.00 42.92 43.51 1xpj s ASP 98 CO 0.04 -0.19 1.76 -2.24 0.52 0.00 0.00 175.17 175.06 1xpj h ASP 99 N 5.73 0.00 -0.44 -0.34 2.03 -2.01 -3.00 116.42 118.39 1xpj h ASP 99 Ca -0.29 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 55.82 1xpj h ASP 99 Cb 1.19 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.58 1xpj h ASP 99 CO 0.14 0.00 0.05 0.54 -1.03 0.00 0.00 179.24 178.93 1xpj n ARG 100 N -2.40 2.18 -3.60 4.15 5.12 -1.26 -4.78 116.66 116.07 1xpj n ARG 100 Ca 0.03 -3.10 -0.36 0.00 -1.93 0.00 0.00 57.85 52.49 1xpj n ARG 100 Cb 0.30 -1.89 -0.07 0.00 -1.16 0.00 0.00 32.46 29.64 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 -3.17 3.65 0.11 7.54 0.00 -1.14 -5.09 121.76 123.66 1xpj s ALA 101 Ca 0.46 -0.48 0.10 0.00 0.00 0.00 0.00 51.96 52.05 1xpj s ALA 101 Cb 0.41 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1xpj s ALA 101 CO 0.04 0.21 -0.26 0.14 0.00 0.00 0.00 175.76 175.89 1xpj s VAL 102 N 0.09 2.11 0.33 0.00 -7.23 -1.26 -5.02 120.40 109.41 1xpj s VAL 102 Ca 0.16 -1.63 -0.21 0.00 -1.81 0.00 0.00 61.98 58.50 1xpj s VAL 102 Cb -0.13 -1.86 -0.10 0.00 0.56 0.00 0.00 36.38 34.85 1xpj s VAL 102 CO 0.04 0.12 0.85 -0.13 -0.31 0.00 0.00 175.10 175.67 1xpj s ARG 103 N -1.84 4.28 0.42 4.82 0.52 -1.26 -4.91 118.95 120.98 1xpj s ARG 103 Ca 0.12 1.02 0.15 0.00 -0.52 0.00 0.00 55.73 56.50 1xpj s ARG 103 Cb -0.10 -2.56 1.04 0.00 0.52 0.00 0.00 34.95 33.85 1xpj s ARG 103 CO 0.05 0.19 1.90 -1.35 0.02 0.00 0.00 175.30 176.11 1xpj h PRO 104 N 2.67 0.43 -0.01 3.54 0.10 -1.92 0.18 132.00 136.99 1xpj h PRO 104 Ca -0.48 -0.03 -0.09 0.00 0.10 0.00 0.00 66.00 65.51 1xpj h PRO 104 Cb 1.18 -0.10 -0.01 0.00 0.10 0.00 0.00 31.00 32.18 1xpj h PRO 104 CO 0.64 0.28 -0.43 0.66 0.10 0.00 0.00 178.00 179.26 1xpj h SER 105 N 0.44 0.01 -0.10 -2.05 4.64 -1.96 -1.77 113.55 112.76 1xpj h SER 105 Ca 0.40 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.52 1xpj h SER 105 Cb 0.91 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1xpj h SER 105 CO -0.14 0.44 -0.69 -0.33 -0.87 0.00 0.00 176.83 175.23 1xpj h GLU 106 N 0.01 0.65 -0.61 4.77 5.08 -1.07 -3.04 114.58 120.37 1xpj h GLU 106 Ca -0.00 -0.57 -0.02 0.00 -1.00 0.00 0.00 59.36 57.77 1xpj h GLU 106 Cb 0.76 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1xpj h GLU 106 CO 0.06 1.18 0.29 0.35 -1.00 0.00 0.00 179.01 179.88 1xpj h PHE 107 N 0.32 0.86 0.00 4.33 3.57 -1.13 -1.53 116.94 123.36 1xpj h PHE 107 Ca -0.06 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 1xpj h PHE 107 Cb 1.34 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 1xpj h PHE 107 CO 0.10 0.64 -0.24 0.00 -2.23 0.00 0.00 178.31 176.59 1xpj h ALA 108 N 1.45 0.90 0.00 2.41 0.00 -1.40 -3.34 119.26 119.28 1xpj h ALA 108 Ca 0.21 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1xpj h ALA 108 Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xpj h ALA 108 CO -0.03 0.29 -2.00 0.45 0.00 0.00 0.00 179.25 177.96 1xpj n SER 109 N -3.23 0.21 -4.44 0.00 2.88 -0.87 -4.98 113.62 103.19 1xpj n SER 109 Ca 0.02 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.26 1xpj n SER 109 Cb 0.55 1.83 -0.13 0.00 -0.75 0.00 0.00 64.21 65.71 1xpj n SER 109 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1xpj s MET 110 N -3.33 1.84 0.81 -1.46 -1.94 -0.63 -5.08 119.30 109.51 1xpj s MET 110 Ca -0.08 -1.12 -0.11 0.00 -1.71 0.00 0.00 55.69 52.67 1xpj s MET 110 Cb 0.12 -2.09 0.10 0.00 2.01 0.00 0.00 34.83 34.97 1xpj s MET 110 CO 0.86 0.50 1.17 0.54 -0.01 0.00 0.00 175.02 178.08 1xpj s ASN 111 N -1.74 4.28 0.23 3.03 2.20 -1.26 -4.85 114.94 116.83 1xpj s ASN 111 Ca 0.15 0.57 -0.07 0.00 -0.94 0.00 0.00 52.86 52.57 1xpj s ASN 111 Cb -0.10 -1.00 0.30 0.00 -2.00 0.00 0.00 41.25 38.45 1xpj s ASN 111 CO 0.07 -2.01 1.85 0.25 -2.94 0.00 0.00 177.10 174.32 1xpj h LEU 112 N -1.06 0.80 -0.41 3.54 5.85 -1.99 -1.39 115.31 120.66 1xpj h LEU 112 Ca -0.45 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.37 1xpj h LEU 112 Cb 1.31 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 1xpj h LEU 112 CO 0.58 0.52 -0.10 -0.08 -0.34 0.00 0.00 178.44 179.02 1xpj h GLU 113 N 0.94 -0.00 0.00 1.25 4.81 -1.99 0.04 114.58 119.63 1xpj h GLU 113 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1xpj h GLU 113 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1xpj h GLU 113 CO -0.16 -0.00 -0.24 -0.85 -0.73 0.00 0.00 179.01 177.03 1xpj n GLU 114 N -5.31 0.17 0.04 1.92 0.28 -1.00 -1.71 120.64 115.03 1xpj n GLU 114 Ca 0.02 0.10 -0.20 0.00 -0.16 0.00 0.00 57.16 56.92 1xpj n GLU 114 Cb 0.22 -1.66 -0.11 0.00 1.43 0.00 0.00 31.44 31.33 1xpj n GLU 114 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1xpj h ILE 115 N 0.00 1.31 -0.95 3.84 2.04 -0.93 -2.96 117.51 119.86 1xpj h ILE 115 Ca 0.00 -2.24 0.08 0.00 1.00 0.00 0.00 64.86 63.69 1xpj h ILE 115 Cb 0.65 2.46 -0.07 0.00 -0.74 0.00 0.00 36.82 39.13 1xpj h ILE 115 CO 0.00 0.69 0.62 0.45 0.00 0.00 0.00 178.15 179.90 1xpj h HIS 116 N 0.29 1.11 -0.51 1.37 3.86 -0.78 -2.62 115.15 117.86 1xpj h HIS 116 Ca -0.13 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.00 1xpj h HIS 116 Cb 1.66 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 29.75 1xpj h HIS 116 CO 0.11 0.55 -0.11 1.96 0.86 0.00 0.00 177.93 181.31 1xpj h GLN 117 N 1.06 0.95 -0.75 2.45 4.20 -1.36 -1.29 115.11 120.38 1xpj h GLN 117 Ca 0.42 -0.34 0.06 0.00 0.06 0.00 0.00 58.65 58.86 1xpj h GLN 117 Cb 0.25 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.91 1xpj h GLN 117 CO -0.17 1.00 0.43 -0.07 -0.67 0.00 0.00 178.83 179.35 1xpj h LEU 118 N 0.85 0.66 -0.11 1.46 3.38 -1.29 -2.16 115.31 118.10 1xpj h LEU 118 Ca 0.14 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 1xpj h LEU 118 Cb 0.65 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1xpj h LEU 118 CO 0.05 0.42 -0.71 -0.26 0.09 0.00 0.00 178.44 178.03 1xpj h PHE 119 N 0.79 0.91 -0.50 1.13 0.05 -1.31 -3.18 116.94 114.85 1xpj h PHE 119 Ca 0.33 -0.42 -0.04 0.00 3.82 0.00 0.00 57.97 61.66 1xpj h PHE 119 Cb 0.20 -0.13 -0.02 0.00 2.00 0.00 0.00 35.95 37.99 1xpj h PHE 119 CO -0.06 1.24 0.14 0.93 -0.18 0.00 0.00 178.31 180.38 1xpj h GLU 120 N 0.33 0.74 -0.88 1.51 4.39 -1.10 -1.89 114.58 117.68 1xpj h GLU 120 Ca -0.06 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 59.55 1xpj h GLU 120 Cb 1.35 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.83 1xpj h GLU 120 CO 0.14 0.65 0.56 -0.22 -1.16 0.00 0.00 179.01 178.99 1xpj h LYS 121 N 0.72 1.06 -0.79 2.33 3.64 -1.41 -2.65 116.57 119.47 1xpj h LYS 121 Ca 0.17 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1xpj h LYS 121 Cb 0.23 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1xpj h LYS 121 CO -0.01 0.70 0.51 0.93 -2.27 0.00 0.00 179.45 179.31 1xpj h GLU 122 N 1.09 1.05 0.00 1.90 4.39 -1.32 -3.52 114.58 118.17 1xpj h GLU 122 Ca 0.35 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1xpj h GLU 122 Cb 0.02 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.44 1xpj h GLU 122 CO -0.12 0.71 0.00 1.17 -1.16 0.00 0.00 179.01 179.61