#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpj n ILE 1 N 0.00 0.19 -3.95 3.17 5.41 -1.26 -5.02 119.36 117.90 3hpj n ILE 1 Ca 0.00 -0.03 -0.24 0.00 1.00 0.00 0.00 62.75 63.48 3hpj n ILE 1 Cb 0.00 -1.44 -0.17 0.00 -0.71 0.00 0.00 39.64 37.32 3hpj n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3hpj s GLN 2 N 1.94 1.02 -0.07 0.38 -0.21 -1.26 -4.36 119.66 117.11 3hpj s GLN 2 Ca 0.86 -0.09 0.05 0.00 0.02 0.00 0.00 55.36 56.20 3hpj s GLN 2 Cb -0.78 -1.17 -0.01 0.00 1.00 0.00 0.00 33.01 32.05 3hpj s GLN 2 CO 0.46 -0.22 -0.23 1.03 -2.12 0.00 0.00 175.29 174.21 3hpj s ARG 3 N 1.58 2.52 0.17 2.91 0.52 0.64 -4.92 118.95 122.37 3hpj s ARG 3 Ca 0.00 -0.83 -0.30 0.00 -0.52 0.00 0.00 55.73 54.08 3hpj s ARG 3 Cb -0.13 -2.07 -0.08 0.00 0.52 0.00 0.00 34.95 33.19 3hpj s ARG 3 CO -0.04 0.29 1.26 0.99 0.02 0.00 0.00 175.30 177.81 3hpj s THR 4 N 0.04 3.45 0.23 0.02 2.01 -1.26 -1.79 115.64 118.34 3hpj s THR 4 Ca -0.08 1.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.79 3hpj s THR 4 Cb -0.15 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 3hpj s THR 4 CO 0.05 0.16 1.34 -2.16 -0.69 0.00 0.00 174.62 173.33 3hpj s PRO 5 N 0.07 4.35 0.38 4.92 0.04 -1.26 -4.34 135.00 139.17 3hpj s PRO 5 Ca 0.56 2.14 -0.19 0.00 0.04 0.00 0.00 61.00 63.55 3hpj s PRO 5 Cb -0.34 -3.16 -0.10 0.00 0.04 0.00 0.00 34.50 30.94 3hpj s PRO 5 CO 0.36 -0.29 0.86 0.15 0.04 0.00 0.00 177.00 178.12 3hpj s LYS 6 N -0.34 4.15 -0.05 4.56 1.02 0.06 -4.88 119.74 124.26 3hpj s LYS 6 Ca 0.57 0.95 0.01 0.00 0.02 0.00 0.00 55.97 57.51 3hpj s LYS 6 Cb -0.38 -2.31 0.02 0.00 -0.52 0.00 0.00 37.83 34.64 3hpj s LYS 6 CO 0.41 0.06 -0.04 0.42 -0.92 0.00 0.00 175.35 175.28 3hpj s ILE 7 N -2.07 0.54 -0.04 2.17 1.01 -1.26 -2.09 121.20 119.46 3hpj s ILE 7 Ca 0.58 -0.09 0.04 0.00 0.00 0.00 0.00 60.65 61.18 3hpj s ILE 7 Cb -0.10 -0.58 -0.00 0.00 0.01 0.00 0.00 42.46 41.79 3hpj s ILE 7 CO 0.15 0.24 -0.15 -1.10 0.00 0.00 0.00 174.94 174.08 3hpj s GLN 8 N 1.13 1.56 -0.10 2.79 -0.21 -0.52 -4.99 119.66 119.31 3hpj s GLN 8 Ca -0.08 -0.52 0.04 0.00 0.02 0.00 0.00 55.36 54.82 3hpj s GLN 8 Cb -0.14 -1.37 -0.00 0.00 1.00 0.00 0.00 33.01 32.50 3hpj s GLN 8 CO -0.01 0.20 -0.23 0.08 -2.12 0.00 0.00 175.29 173.21 3hpj s VAL 9 N 0.10 2.20 0.03 1.09 1.01 -1.26 -0.79 120.40 122.78 3hpj s VAL 9 Ca -0.04 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 3hpj s VAL 9 Cb -0.11 -1.85 0.09 0.00 0.00 0.00 0.00 36.38 34.52 3hpj s VAL 9 CO 0.02 0.56 1.00 -0.72 0.00 0.00 0.00 175.10 175.95 3hpj s TYR 10 N 0.28 -0.21 0.10 5.22 1.13 -0.42 -4.57 117.35 118.89 3hpj s TYR 10 Ca -0.16 0.02 -0.06 0.00 -1.41 0.00 0.00 57.07 55.46 3hpj s TYR 10 Cb -0.17 0.57 -0.05 0.00 -1.10 0.00 0.00 41.96 41.21 3hpj s TYR 10 CO 0.08 -0.58 0.36 -1.54 -2.51 0.00 0.00 175.55 171.36 3hpj s SER 11 N -2.67 6.52 0.18 -0.18 1.04 -1.26 -0.23 113.70 117.10 3hpj s SER 11 Ca 0.09 0.62 -0.14 0.00 0.48 0.00 0.00 55.95 57.00 3hpj s SER 11 Cb -0.00 -2.11 0.17 0.00 0.10 0.00 0.00 66.02 64.18 3hpj s SER 11 CO -0.04 0.12 1.71 -0.09 0.98 0.00 0.00 173.24 175.92 3hpj h ARG 12 N 3.23 0.18 -6.28 4.02 2.43 -1.26 -3.44 114.38 113.27 3hpj h ARG 12 Ca -0.47 -0.01 -0.59 0.00 -0.81 0.00 0.00 59.98 58.09 3hpj h ARG 12 Cb 1.18 -0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.56 3hpj h ARG 12 CO 0.70 0.12 -0.71 -1.01 -1.51 0.00 0.00 179.97 177.56 3hpj s HIS 13 N -6.15 2.52 0.03 2.20 3.76 -1.26 -5.02 115.29 111.36 3hpj s HIS 13 Ca -0.13 -0.27 -0.38 0.00 -0.15 0.00 0.00 55.06 54.13 3hpj s HIS 13 Cb 0.15 -1.13 -0.17 0.00 1.11 0.00 0.00 32.58 32.53 3hpj s HIS 13 CO 0.72 0.63 1.34 -2.30 -0.85 0.00 0.00 174.74 174.28 3hpj n PRO 14 N -0.56 0.96 -2.72 8.40 -0.02 -1.26 -4.88 135.00 134.92 3hpj n PRO 14 Ca -0.07 0.35 -0.40 0.00 -2.02 0.00 0.00 63.50 61.36 3hpj n PRO 14 Cb 0.59 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 3hpj n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hpj s ALA 15 N 0.70 3.33 -0.08 3.55 0.00 -1.26 -5.02 121.76 122.97 3hpj s ALA 15 Ca 0.87 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 53.44 3hpj s ALA 15 Cb -1.02 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 18.92 3hpj s ALA 15 CO 0.50 0.16 0.17 -1.21 0.00 0.00 0.00 175.76 175.38 3hpj s GLU 16 N -1.33 0.07 0.19 0.00 2.02 -1.26 -5.12 118.70 113.26 3hpj s GLU 16 Ca 0.43 0.51 -0.32 0.00 0.02 0.00 0.00 54.97 55.61 3hpj s GLU 16 Cb -0.26 -0.22 -0.12 0.00 0.10 0.00 0.00 34.13 33.63 3hpj s GLU 16 CO 0.32 -0.25 1.75 0.09 0.02 0.00 0.00 175.26 177.19 3hpj n ASN 17 N 4.90 3.99 0.00 -0.19 3.02 -1.26 -1.75 115.26 123.97 3hpj n ASN 17 Ca -0.13 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.46 3hpj n ASN 17 Cb 0.51 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 3hpj n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hpj n GLY 18 N 4.02 0.96 3.65 7.41 0.00 0.07 -4.98 105.19 116.33 3hpj n GLY 18 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3hpj n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hpj s LYS 19 N -0.43 3.18 0.52 1.61 1.02 -0.72 -4.97 119.74 119.94 3hpj s LYS 19 Ca 0.00 -0.42 -0.21 0.00 0.02 0.00 0.00 55.97 55.35 3hpj s LYS 19 Cb 0.00 -2.85 -0.06 0.00 -0.52 0.00 0.00 37.83 34.41 3hpj s LYS 19 CO 0.00 0.59 1.21 -1.54 -0.92 0.00 0.00 175.35 174.70 3hpj s SER 20 N -0.57 5.71 0.31 2.83 1.04 -1.26 -4.10 113.70 117.66 3hpj s SER 20 Ca 0.10 2.41 -0.12 0.00 0.48 0.00 0.00 55.95 58.82 3hpj s SER 20 Cb -0.12 -2.61 0.05 0.00 0.10 0.00 0.00 66.02 63.44 3hpj s SER 20 CO 0.02 -1.24 0.63 -3.20 0.98 0.00 0.00 173.24 170.43 3hpj n ASN 21 N -0.93 -1.81 -4.18 7.02 2.85 0.32 -4.99 115.26 113.54 3hpj n ASN 21 Ca 0.10 -2.25 -0.25 0.00 -0.11 0.00 0.00 54.58 52.06 3hpj n ASN 21 Cb 0.48 3.02 -0.15 0.00 1.24 0.00 0.00 39.78 44.36 3hpj n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3hpj s PHE 22 N -3.58 1.65 -0.17 1.20 0.40 -1.26 -1.56 117.98 114.66 3hpj s PHE 22 Ca 0.13 -0.33 -0.14 0.00 -0.60 0.00 0.00 56.93 55.99 3hpj s PHE 22 Cb -0.04 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.38 3hpj s PHE 22 CO 0.09 -0.04 0.31 -1.17 0.70 0.00 0.00 175.22 175.12 3hpj s LEU 23 N -0.39 4.22 -0.05 -0.37 2.96 0.15 -0.65 118.68 124.55 3hpj s LEU 23 Ca 0.06 0.50 0.05 0.00 -0.22 0.00 0.00 54.13 54.52 3hpj s LEU 23 Cb -0.07 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.20 3hpj s LEU 23 CO -0.00 0.06 -0.19 0.20 -1.32 0.00 0.00 176.35 175.09 3hpj s ASN 24 N 0.63 3.60 -0.21 3.68 0.01 0.69 -1.87 114.94 121.46 3hpj s ASN 24 Ca 0.17 -0.34 0.01 0.00 -0.71 0.00 0.00 52.86 51.99 3hpj s ASN 24 Cb -0.13 -0.81 0.05 0.00 0.41 0.00 0.00 41.25 40.76 3hpj s ASN 24 CO 0.05 0.30 -0.11 0.00 -1.51 0.00 0.00 177.10 175.82 3hpj s TYR 26 N 1.30 3.16 -0.15 0.00 5.04 0.03 -0.28 117.35 126.46 3hpj s TYR 26 Ca -0.03 -0.41 -0.03 0.00 -2.44 0.00 0.00 57.07 54.16 3hpj s TYR 26 Cb -0.17 -2.34 -0.02 0.00 0.35 0.00 0.00 41.96 39.78 3hpj s TYR 26 CO -0.08 -0.38 -0.06 0.14 -1.34 0.00 0.00 175.55 173.83 3hpj s VAL 27 N 1.64 3.70 0.27 3.14 -7.23 -0.40 -1.44 120.40 120.08 3hpj s VAL 27 Ca 0.05 -0.43 -0.02 0.00 -1.81 0.00 0.00 61.98 59.78 3hpj s VAL 27 Cb -0.16 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 3hpj s VAL 27 CO 0.07 0.50 0.31 -0.94 -0.31 0.00 0.00 175.10 174.72 3hpj s SER 28 N 0.38 0.62 -0.17 4.85 1.04 -0.89 -1.19 113.70 118.34 3hpj s SER 28 Ca -0.05 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 54.97 3hpj s SER 28 Cb -0.15 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3hpj s SER 28 CO 0.03 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3hpj n GLY 29 N -0.44 0.48 3.79 7.32 0.00 -0.25 -0.76 105.19 115.33 3hpj n GLY 29 Ca 0.02 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 3hpj n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hpj s PHE 30 N -1.83 3.12 -0.27 1.61 -0.71 -1.15 -4.37 117.98 114.39 3hpj s PHE 30 Ca 0.00 -0.02 -0.23 0.00 -1.04 0.00 0.00 56.93 55.64 3hpj s PHE 30 Cb 0.00 -1.50 0.07 0.00 -1.21 0.00 0.00 43.02 40.38 3hpj s PHE 30 CO 0.00 0.52 0.72 -1.58 -1.34 0.00 0.00 175.22 173.54 3hpj s HIS 31 N -1.73 -0.84 0.34 3.49 2.46 -0.74 -0.75 115.29 117.52 3hpj s HIS 31 Ca 0.31 1.96 -0.06 0.00 0.47 0.00 0.00 55.06 57.74 3hpj s HIS 31 Cb -0.10 0.35 0.08 0.00 -0.13 0.00 0.00 32.58 32.79 3hpj s HIS 31 CO 0.23 -0.41 0.31 -0.35 -2.47 0.00 0.00 174.74 172.05 3hpj n PRO 32 N 3.05 -1.54 0.06 2.88 -0.04 -1.26 -0.26 135.00 137.89 3hpj n PRO 32 Ca -0.15 -0.49 0.12 0.00 -0.04 0.00 0.00 63.50 62.93 3hpj n PRO 32 Cb 0.56 -0.45 0.15 0.00 -0.04 0.00 0.00 33.50 33.71 3hpj n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hpj h SER 33 N -1.43 0.00 -2.53 3.54 4.64 -2.00 -3.45 113.55 112.32 3hpj h SER 33 Ca -0.12 -0.20 -0.53 0.00 -0.47 0.00 0.00 61.79 60.48 3hpj h SER 33 Cb 0.35 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.47 3hpj h SER 33 CO 0.08 0.10 1.12 -1.81 -0.87 0.00 0.00 176.83 175.44 3hpj s ASP 34 N -4.34 6.45 -0.15 4.97 -0.00 -1.26 -4.96 116.67 117.37 3hpj s ASP 34 Ca 0.05 2.72 -0.22 0.00 -0.00 0.00 0.00 52.55 55.10 3hpj s ASP 34 Cb 0.13 -2.56 0.06 0.00 -0.00 0.00 0.00 42.92 40.54 3hpj s ASP 34 CO 0.73 -1.00 0.58 -0.51 -0.00 0.00 0.00 175.17 174.97 3hpj s ILE 35 N 2.98 0.01 -0.08 0.77 2.07 -1.26 -4.67 121.20 121.02 3hpj s ILE 35 Ca 0.81 -0.06 0.04 0.00 -1.41 0.00 0.00 60.65 60.03 3hpj s ILE 35 Cb -0.45 -0.84 -0.01 0.00 0.13 0.00 0.00 42.46 41.30 3hpj s ILE 35 CO 0.37 -0.03 -0.22 -1.61 -1.91 0.00 0.00 174.94 171.54 3hpj s GLU 36 N -0.25 2.82 -0.05 3.50 2.02 -0.58 -4.98 118.70 121.19 3hpj s GLU 36 Ca -0.04 -0.84 -0.02 0.00 0.02 0.00 0.00 54.97 54.09 3hpj s GLU 36 Cb -0.03 -2.30 0.03 0.00 0.10 0.00 0.00 34.13 31.93 3hpj s GLU 36 CO 0.03 0.32 0.08 0.08 0.02 0.00 0.00 175.26 175.80 3hpj s VAL 37 N 0.00 -0.12 0.04 2.63 1.01 -1.26 -0.68 120.40 122.02 3hpj s VAL 37 Ca -0.08 0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.31 3hpj s VAL 37 Cb -0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 3hpj s VAL 37 CO 0.05 0.14 -0.19 -1.81 0.00 0.00 0.00 175.10 173.29 3hpj s ASP 38 N 1.82 2.30 -0.09 3.32 1.11 -0.18 -4.98 116.67 119.96 3hpj s ASP 38 Ca -0.00 -0.49 -0.10 0.00 0.18 0.00 0.00 52.55 52.14 3hpj s ASP 38 Cb -0.12 -0.19 -0.05 0.00 1.07 0.00 0.00 42.92 43.63 3hpj s ASP 38 CO -0.04 0.15 0.23 -0.76 1.18 0.00 0.00 175.17 175.92 3hpj s LEU 39 N -1.09 4.40 -0.04 1.23 1.43 -1.26 -0.63 118.68 122.72 3hpj s LEU 39 Ca 0.06 0.60 0.07 0.00 -1.03 0.00 0.00 54.13 53.83 3hpj s LEU 39 Cb -0.08 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 3hpj s LEU 39 CO 0.01 0.36 -0.25 -0.76 0.23 0.00 0.00 176.35 175.94 3hpj s LEU 40 N -0.88 2.11 -0.19 1.79 1.43 0.09 -0.42 118.68 122.61 3hpj s LEU 40 Ca 0.17 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3hpj s LEU 40 Cb -0.13 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.74 3hpj s LEU 40 CO 0.06 0.28 -0.17 -0.75 0.23 0.00 0.00 176.35 176.00 3hpj s LYS 41 N -0.36 2.71 -1.56 1.70 2.20 0.16 -2.06 119.74 122.52 3hpj s LYS 41 Ca 0.03 -0.89 -0.07 0.00 -0.36 0.00 0.00 55.97 54.67 3hpj s LYS 41 Cb -0.12 -2.56 0.07 0.00 -1.51 0.00 0.00 37.83 33.70 3hpj s LYS 41 CO 0.02 -0.29 0.45 0.09 -0.36 0.00 0.00 175.35 175.26 3hpj n ASN 42 N 4.61 -1.05 0.00 1.43 3.02 0.17 -1.62 115.26 121.82 3hpj n ASN 42 Ca -0.19 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 3hpj n ASN 42 Cb 0.48 -2.54 0.00 0.00 -0.61 0.00 0.00 39.78 37.11 3hpj n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hpj n GLY 43 N -1.87 1.33 3.59 7.41 0.00 -1.26 -5.03 105.19 109.36 3hpj n GLY 43 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3hpj n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hpj s GLU 44 N -0.01 2.74 0.02 1.61 2.02 -0.64 -5.01 118.70 119.43 3hpj s GLU 44 Ca 0.00 -0.56 -0.30 0.00 0.02 0.00 0.00 54.97 54.13 3hpj s GLU 44 Cb 0.00 -2.59 -0.08 0.00 0.10 0.00 0.00 34.13 31.56 3hpj s GLU 44 CO 0.00 0.66 1.81 0.50 0.02 0.00 0.00 175.26 178.25 3hpj s ARG 45 N -0.87 4.16 -0.04 1.61 3.52 -1.26 -0.67 118.95 125.41 3hpj s ARG 45 Ca 0.13 2.43 -0.30 0.00 -0.13 0.00 0.00 55.73 57.86 3hpj s ARG 45 Cb -0.11 -3.97 -0.04 0.00 -1.56 0.00 0.00 34.95 29.27 3hpj s ARG 45 CO 0.02 -0.88 1.22 0.42 -0.81 0.00 0.00 175.30 175.27 3hpj s ILE 46 N 3.91 4.18 0.05 4.11 1.01 0.44 -4.90 121.20 130.00 3hpj s ILE 46 Ca 0.81 1.52 -0.10 0.00 0.00 0.00 0.00 60.65 62.87 3hpj s ILE 46 Cb -0.39 -3.98 -0.32 0.00 0.01 0.00 0.00 42.46 37.78 3hpj s ILE 46 CO 0.36 0.01 1.05 -0.33 0.00 0.00 0.00 174.94 176.03 3hpj h GLU 47 N 7.42 0.42 -3.34 2.79 5.08 -1.93 -3.41 114.58 121.60 3hpj h GLU 47 Ca -0.35 -0.71 -0.72 0.00 -1.00 0.00 0.00 59.36 56.58 3hpj h GLU 47 Cb 1.17 0.26 -0.07 0.00 0.50 0.00 0.00 28.75 30.62 3hpj h GLU 47 CO 0.87 1.34 2.92 0.36 -1.00 0.00 0.00 179.01 183.50 3hpj n LYS 48 N -3.63 3.61 -4.51 2.33 0.00 -1.26 -4.96 118.16 109.75 3hpj n LYS 48 Ca -0.13 -2.89 -0.31 0.00 -0.00 0.00 0.00 58.31 54.97 3hpj n LYS 48 Cb 1.07 -2.94 -0.16 0.00 -0.00 0.00 0.00 35.03 32.99 3hpj n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3hpj s VAL 49 N 1.38 1.88 0.39 0.58 1.01 -1.26 -4.66 120.40 119.73 3hpj s VAL 49 Ca 0.53 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.72 3hpj s VAL 49 Cb 0.15 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3hpj s VAL 49 CO -0.06 0.52 0.42 -1.61 0.00 0.00 0.00 175.10 174.37 3hpj s GLU 50 N 0.96 2.72 0.08 2.72 2.02 -0.38 -4.92 118.70 121.89 3hpj s GLU 50 Ca -0.05 -1.35 -0.06 0.00 0.02 0.00 0.00 54.97 53.54 3hpj s GLU 50 Cb -0.15 -2.55 -0.02 0.00 0.10 0.00 0.00 34.13 31.51 3hpj s GLU 50 CO -0.04 -0.13 0.11 -3.38 0.02 0.00 0.00 175.26 171.84 3hpj s HIS 51 N -2.37 0.31 0.82 1.61 -3.43 -1.26 -1.12 115.29 109.84 3hpj s HIS 51 Ca 0.48 -0.78 -0.12 0.00 -0.80 0.00 0.00 55.06 53.85 3hpj s HIS 51 Cb -0.06 -0.19 0.08 0.00 -1.43 0.00 0.00 32.58 30.98 3hpj s HIS 51 CO 0.29 -0.49 1.11 -1.54 -2.00 0.00 0.00 174.74 172.11 3hpj s SER 52 N -2.89 4.33 0.16 7.38 1.04 -0.14 -4.99 113.70 118.59 3hpj s SER 52 Ca 0.07 1.19 -0.30 0.00 0.48 0.00 0.00 55.95 57.39 3hpj s SER 52 Cb 0.06 -1.88 -0.07 0.00 0.10 0.00 0.00 66.02 64.22 3hpj s SER 52 CO -0.10 -2.06 1.12 -1.81 0.98 0.00 0.00 173.24 171.37 3hpj s ASP 53 N -3.99 7.22 -0.07 7.02 -0.00 -1.26 -4.74 116.67 120.85 3hpj s ASP 53 Ca 0.61 2.09 -0.37 0.00 -0.00 0.00 0.00 52.55 54.88 3hpj s ASP 53 Cb -0.14 -2.60 -0.15 0.00 -0.00 0.00 0.00 42.92 40.03 3hpj s ASP 53 CO 0.54 -0.27 1.63 -0.11 -0.00 0.00 0.00 175.17 176.96 3hpj n LEU 54 N 2.59 2.49 -4.32 1.23 7.94 -1.26 -4.92 117.00 120.75 3hpj n LEU 54 Ca 0.04 1.07 -0.20 0.00 -1.11 0.00 0.00 56.01 55.80 3hpj n LEU 54 Cb 0.46 -1.24 -0.08 0.00 0.53 0.00 0.00 43.42 43.09 3hpj n LEU 54 CO 0.54 -0.51 -0.12 -0.55 -1.11 0.00 0.00 177.39 175.64 3hpj s SER 55 N 2.36 1.87 0.19 1.96 0.15 -1.20 -5.04 113.70 113.98 3hpj s SER 55 Ca 0.90 -1.77 -0.13 0.00 0.70 0.00 0.00 55.95 55.66 3hpj s SER 55 Cb -0.90 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 63.98 3hpj s SER 55 CO 0.53 -1.06 0.41 0.72 1.20 0.00 0.00 173.24 175.05 3hpj s PHE 56 N -3.40 0.19 0.65 3.44 -0.12 -1.26 -1.82 117.98 115.67 3hpj s PHE 56 Ca 0.38 -0.54 0.02 0.00 -0.05 0.00 0.00 56.93 56.74 3hpj s PHE 56 Cb 0.02 0.17 0.10 0.00 -0.63 0.00 0.00 43.02 42.68 3hpj s PHE 56 CO 0.26 -0.85 0.90 -1.12 -0.05 0.00 0.00 175.22 174.37 3hpj s SER 57 N -2.94 4.70 0.39 1.98 0.01 0.14 -4.91 113.70 113.07 3hpj s SER 57 Ca 0.15 -0.39 0.14 0.00 1.31 0.00 0.00 55.95 57.15 3hpj s SER 57 Cb 0.01 -0.14 0.96 0.00 0.21 0.00 0.00 66.02 67.07 3hpj s SER 57 CO 0.01 -1.59 1.85 0.50 0.41 0.00 0.00 173.24 174.41 3hpj h LYS 58 N -0.24 0.52 -0.09 12.44 3.64 -2.03 0.20 116.57 131.01 3hpj h LYS 58 Ca -0.36 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3hpj h LYS 58 Cb 1.28 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3hpj h LYS 58 CO 0.43 0.34 0.00 -0.40 -2.27 0.00 0.00 179.45 177.55 3hpj n ASP 59 N -4.56 0.13 0.00 4.20 5.68 -1.26 -4.89 116.55 115.85 3hpj n ASP 59 Ca 0.19 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.48 3hpj n ASP 59 Cb 0.61 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 3hpj n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3hpj n TRP 60 N -0.44 0.00 -2.68 2.11 7.02 0.70 -5.02 117.44 119.14 3hpj n TRP 60 Ca 0.00 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.10 3hpj n TRP 60 Cb 0.03 -0.20 -0.06 0.00 -2.42 0.00 0.00 31.31 28.66 3hpj n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3hpj s SER 61 N -3.27 7.38 0.56 -0.99 1.04 -1.26 -4.65 113.70 112.51 3hpj s SER 61 Ca 0.00 1.99 -0.12 0.00 0.48 0.00 0.00 55.95 58.30 3hpj s SER 61 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 3hpj s SER 61 CO 0.00 -0.04 0.98 -0.36 0.98 0.00 0.00 173.24 174.80 3hpj s PHE 62 N -1.36 3.56 -0.03 5.02 0.08 0.07 -0.68 117.98 124.63 3hpj s PHE 62 Ca 0.46 1.30 -0.08 0.00 0.12 0.00 0.00 56.93 58.73 3hpj s PHE 62 Cb -0.25 -2.70 0.01 0.00 -0.57 0.00 0.00 43.02 39.52 3hpj s PHE 62 CO 0.31 -0.51 0.19 1.52 -0.10 0.00 0.00 175.22 176.63 3hpj s TYR 63 N -2.91 -0.10 -0.03 0.36 -0.85 -0.75 -1.09 117.35 111.97 3hpj s TYR 63 Ca 0.56 0.21 -0.06 0.00 -0.52 0.00 0.00 57.07 57.25 3hpj s TYR 63 Cb -0.11 0.02 0.01 0.00 0.38 0.00 0.00 41.96 42.27 3hpj s TYR 63 CO 0.44 -0.23 0.15 -0.51 -1.52 0.00 0.00 175.55 173.89 3hpj s LEU 64 N -0.76 1.45 -0.23 -3.49 1.43 -0.34 -3.26 118.68 113.49 3hpj s LEU 64 Ca -0.08 0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 3hpj s LEU 64 Cb -0.05 0.62 -0.02 0.00 0.03 0.00 0.00 46.19 46.78 3hpj s LEU 64 CO 0.01 -0.20 -0.01 -0.22 0.23 0.00 0.00 176.35 176.17 3hpj s LEU 65 N -0.58 3.08 -0.02 1.79 2.96 -1.26 -1.28 118.68 123.38 3hpj s LEU 65 Ca -0.07 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 3hpj s LEU 65 Cb -0.04 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 3hpj s LEU 65 CO 0.01 -0.01 0.18 -0.31 -1.32 0.00 0.00 176.35 174.90 3hpj s TYR 66 N 1.46 3.56 0.02 5.38 1.51 0.61 -0.97 117.35 128.92 3hpj s TYR 66 Ca 0.05 0.39 -0.22 0.00 -1.01 0.00 0.00 57.07 56.28 3hpj s TYR 66 Cb -0.15 -1.85 0.05 0.00 -0.11 0.00 0.00 41.96 39.91 3hpj s TYR 66 CO -0.01 0.66 0.51 1.52 -1.11 0.00 0.00 175.55 177.12 3hpj s TYR 67 N -1.29 -0.41 -0.08 2.71 -0.85 -0.28 -0.59 117.35 116.55 3hpj s TYR 67 Ca 0.26 0.53 -0.21 0.00 -0.52 0.00 0.00 57.07 57.13 3hpj s TYR 67 Cb -0.13 0.31 0.05 0.00 0.38 0.00 0.00 41.96 42.57 3hpj s TYR 67 CO 0.17 -0.60 0.49 -0.08 -1.52 0.00 0.00 175.55 174.02 3hpj s THR 68 N -2.08 0.02 0.33 -3.49 -1.32 -0.78 -1.25 115.64 107.06 3hpj s THR 68 Ca -0.07 -0.17 -0.29 0.00 -1.21 0.00 0.00 61.69 59.94 3hpj s THR 68 Cb -0.01 -0.77 -0.10 0.00 -1.51 0.00 0.00 72.50 70.10 3hpj s THR 68 CO 0.01 -0.10 1.30 -1.61 -2.21 0.00 0.00 174.62 172.02 3hpj s GLU 69 N -0.79 4.36 0.12 7.08 2.02 -1.26 -0.67 118.70 129.56 3hpj s GLU 69 Ca -0.09 2.21 -0.17 0.00 0.02 0.00 0.00 54.97 56.94 3hpj s GLU 69 Cb -0.03 -3.07 0.04 0.00 0.10 0.00 0.00 34.13 31.16 3hpj s GLU 69 CO 0.05 -0.18 0.42 -0.59 0.02 0.00 0.00 175.26 174.98 3hpj s PHE 70 N -1.12 -0.24 -0.26 1.61 -0.71 -0.60 -4.82 117.98 111.83 3hpj s PHE 70 Ca 0.49 -0.05 0.02 0.00 -1.04 0.00 0.00 56.93 56.35 3hpj s PHE 70 Cb -0.40 0.29 0.06 0.00 -1.21 0.00 0.00 43.02 41.76 3hpj s PHE 70 CO 0.52 -0.71 -0.10 0.99 -1.34 0.00 0.00 175.22 174.59 3hpj s THR 71 N -3.71 2.30 0.65 -4.49 2.01 -1.26 -0.52 115.64 110.61 3hpj s THR 71 Ca 0.02 -1.58 -0.15 0.00 0.31 0.00 0.00 61.69 60.29 3hpj s THR 71 Cb 0.01 -2.34 -0.00 0.00 0.01 0.00 0.00 72.50 70.18 3hpj s THR 71 CO -0.11 -0.03 1.12 -2.16 -0.69 0.00 0.00 174.62 172.75 3hpj s PRO 72 N 1.13 2.83 0.20 4.92 0.04 -1.26 -4.80 135.00 138.05 3hpj s PRO 72 Ca -0.08 1.44 -0.02 0.00 0.04 0.00 0.00 61.00 62.38 3hpj s PRO 72 Cb -0.20 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3hpj s PRO 72 CO -0.05 -1.24 0.16 0.95 0.04 0.00 0.00 177.00 176.86 3hpj s THR 73 N -2.25 0.01 0.28 1.26 -4.23 -1.26 -0.75 115.64 108.69 3hpj s THR 73 Ca 0.68 -1.93 -0.03 0.00 -1.18 0.00 0.00 61.69 59.22 3hpj s THR 73 Cb -0.21 -2.44 0.23 0.00 1.34 0.00 0.00 72.50 71.41 3hpj s THR 73 CO 0.40 -0.03 1.91 -0.08 -0.54 0.00 0.00 174.62 176.28 3hpj h GLU 74 N 2.60 1.10 0.18 3.99 4.81 -1.97 -3.33 114.58 121.96 3hpj h GLU 74 Ca -0.35 -0.11 -0.34 0.00 -0.13 0.00 0.00 59.36 58.43 3hpj h GLU 74 Cb 1.25 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 30.41 3hpj h GLU 74 CO 0.52 0.79 -1.68 1.57 -0.73 0.00 0.00 179.01 179.47 3hpj h LYS 75 N 1.11 0.38 -6.73 1.92 2.10 -2.02 -3.47 116.57 109.86 3hpj h LYS 75 Ca 0.29 -0.66 -0.52 0.00 -2.00 0.00 0.00 60.65 57.76 3hpj h LYS 75 Cb -0.01 0.24 0.04 0.00 -0.90 0.00 0.00 32.23 31.60 3hpj h LYS 75 CO -0.05 1.31 0.62 -0.51 -2.00 0.00 0.00 179.45 178.82 3hpj s ASP 76 N -7.28 6.93 -0.09 7.07 1.01 -1.25 -5.01 116.67 118.05 3hpj s ASP 76 Ca -0.16 2.43 -0.01 0.00 0.71 0.00 0.00 52.55 55.51 3hpj s ASP 76 Cb 0.05 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3hpj s ASP 76 CO 0.85 -0.47 -0.02 -1.61 0.21 0.00 0.00 175.17 174.13 3hpj s GLU 77 N -0.61 3.01 0.12 8.23 2.02 -1.26 -4.79 118.70 125.42 3hpj s GLU 77 Ca 0.53 -0.45 0.09 0.00 0.02 0.00 0.00 54.97 55.16 3hpj s GLU 77 Cb -0.36 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 3hpj s GLU 77 CO 0.41 0.65 -0.22 0.71 0.02 0.00 0.00 175.26 176.83 3hpj s TYR 78 N -0.74 1.89 0.13 1.61 2.02 -1.26 0.44 117.35 121.45 3hpj s TYR 78 Ca 0.11 -0.42 -0.17 0.00 -0.37 0.00 0.00 57.07 56.22 3hpj s TYR 78 Cb -0.11 -1.02 0.04 0.00 -0.40 0.00 0.00 41.96 40.47 3hpj s TYR 78 CO 0.02 0.25 0.44 0.00 -1.57 0.00 0.00 175.55 174.69 3hpj s ALA 79 N -1.27 -1.05 -0.06 3.71 0.00 -0.87 -0.82 121.76 121.39 3hpj s ALA 79 Ca 0.09 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.15 3hpj s ALA 79 Cb -0.09 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 3hpj s ALA 79 CO 0.05 -0.67 -0.25 0.00 0.00 0.00 0.00 175.76 174.89 3hpj s ARG 81 N -0.16 3.01 -0.08 0.00 3.52 0.20 -0.72 118.95 124.73 3hpj s ARG 81 Ca -0.04 -0.82 0.04 0.00 -0.13 0.00 0.00 55.73 54.79 3hpj s ARG 81 Cb -0.14 -2.57 -0.01 0.00 -1.56 0.00 0.00 34.95 30.67 3hpj s ARG 81 CO 0.04 -0.18 -0.22 0.08 -0.81 0.00 0.00 175.30 174.20 3hpj s VAL 82 N 1.23 2.30 0.09 7.11 1.01 -0.14 -1.01 120.40 131.00 3hpj s VAL 82 Ca 0.03 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.13 3hpj s VAL 82 Cb -0.13 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3hpj s VAL 82 CO -0.11 0.56 -0.20 0.21 0.00 0.00 0.00 175.10 175.56 3hpj s ASN 83 N -0.03 2.46 0.09 3.32 2.47 0.14 -1.14 114.94 122.25 3hpj s ASN 83 Ca -0.07 -0.66 -0.25 0.00 0.42 0.00 0.00 52.86 52.30 3hpj s ASN 83 Cb -0.15 -0.14 0.08 0.00 -1.45 0.00 0.00 41.25 39.59 3hpj s ASN 83 CO 0.05 0.06 0.70 -2.28 -3.72 0.00 0.00 177.10 171.91 3hpj s HIS 84 N -1.12 -0.48 0.59 0.43 5.65 -1.26 -1.52 115.29 117.58 3hpj s HIS 84 Ca 0.06 0.34 0.30 0.00 0.25 0.00 0.00 55.06 56.01 3hpj s HIS 84 Cb -0.10 0.54 1.85 0.00 -1.18 0.00 0.00 32.58 33.70 3hpj s HIS 84 CO 0.04 -0.73 2.26 -0.24 -0.65 0.00 0.00 174.74 175.42 3hpj h VAL 85 N 2.06 0.50 -0.00 0.89 3.04 -1.95 -1.85 116.25 118.94 3hpj h VAL 85 Ca -0.30 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 3hpj h VAL 85 Cb 1.28 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 3hpj h VAL 85 CO 0.36 0.00 -0.09 0.35 -1.01 0.00 0.00 177.57 177.18 3hpj n THR 86 N -3.81 0.00 -4.17 3.17 -2.24 -1.26 -4.79 114.28 101.19 3hpj n THR 86 Ca -0.03 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 3hpj n THR 86 Cb 0.08 -0.24 -0.11 0.00 -2.10 0.00 0.00 70.33 67.97 3hpj n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hpj s LEU 87 N -2.60 3.59 0.41 3.22 1.43 -0.70 -4.97 118.68 119.05 3hpj s LEU 87 Ca 0.26 -0.00 0.27 0.00 -1.03 0.00 0.00 54.13 53.62 3hpj s LEU 87 Cb 0.20 -1.89 0.83 0.00 0.03 0.00 0.00 46.19 45.35 3hpj s LEU 87 CO 0.49 0.17 1.77 0.77 0.23 0.00 0.00 176.35 179.79 3hpj h SER 88 N 6.68 0.00 -5.03 2.29 4.64 -1.86 -3.44 113.55 116.82 3hpj h SER 88 Ca -0.35 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.91 3hpj h SER 88 Cb 1.18 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.11 3hpj h SER 88 CO 0.67 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 176.61 3hpj s GLN 89 N -3.34 1.01 0.17 4.77 -2.07 -1.26 -5.14 119.66 113.79 3hpj s GLN 89 Ca 0.05 -0.36 -0.32 0.00 -1.82 0.00 0.00 55.36 52.92 3hpj s GLN 89 Cb 0.08 0.45 -0.16 0.00 -1.09 0.00 0.00 33.01 32.29 3hpj s GLN 89 CO 0.58 -0.36 1.02 -2.30 -1.32 0.00 0.00 175.29 172.91 3hpj n PRO 90 N 0.33 0.86 -3.86 9.60 -0.02 -1.26 -4.95 135.00 135.69 3hpj n PRO 90 Ca -0.18 0.30 -0.36 0.00 -2.02 0.00 0.00 63.50 61.25 3hpj n PRO 90 Cb 0.61 -1.70 -0.11 0.00 -0.02 0.00 0.00 33.50 32.28 3hpj n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3hpj s LYS 91 N -0.61 3.85 -0.25 -0.52 2.47 -0.29 -4.90 119.74 119.49 3hpj s LYS 91 Ca 0.72 -0.39 -0.08 0.00 -1.56 0.00 0.00 55.97 54.65 3hpj s LYS 91 Cb -0.89 -3.32 -0.03 0.00 -1.46 0.00 0.00 37.83 32.13 3hpj s LYS 91 CO 0.54 0.04 0.09 0.42 0.16 0.00 0.00 175.35 176.61 3hpj s ILE 92 N 1.03 4.54 -0.20 5.43 1.01 -1.26 -0.96 121.20 130.78 3hpj s ILE 92 Ca 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 3hpj s ILE 92 Cb -0.14 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 3hpj s ILE 92 CO 0.03 0.33 -0.03 -0.69 0.00 0.00 0.00 174.94 174.59 3hpj s VAL 93 N 1.54 3.64 0.35 2.92 1.01 0.10 -4.97 120.40 125.00 3hpj s VAL 93 Ca 0.06 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 3hpj s VAL 93 Cb -0.15 -2.64 -0.10 0.00 0.00 0.00 0.00 36.38 33.49 3hpj s VAL 93 CO 0.05 0.43 0.97 -0.54 0.00 0.00 0.00 175.10 176.02 3hpj s LYS 94 N 1.14 4.44 0.08 2.72 1.02 -1.26 -0.98 119.74 126.90 3hpj s LYS 94 Ca 0.02 1.36 -0.30 0.00 0.02 0.00 0.00 55.97 57.06 3hpj s LYS 94 Cb -0.15 -2.66 -0.06 0.00 -0.52 0.00 0.00 37.83 34.44 3hpj s LYS 94 CO 0.00 0.13 1.19 -0.46 -0.92 0.00 0.00 175.35 175.30 3hpj s TRP 95 N -1.69 3.45 -0.14 3.18 -0.00 -0.00 -4.88 118.94 118.87 3hpj s TRP 95 Ca 0.53 1.34 0.02 0.00 -0.00 0.00 0.00 56.10 57.99 3hpj s TRP 95 Cb -0.18 -3.41 0.01 0.00 -0.00 0.00 0.00 33.47 29.89 3hpj s TRP 95 CO 0.24 -1.22 -0.20 0.34 -0.00 0.00 0.00 176.95 176.11 3hpj s ASP 96 N 0.87 2.94 0.59 5.86 -1.08 -1.26 -4.78 116.67 119.82 3hpj s ASP 96 Ca 0.57 -0.56 0.39 0.00 -0.52 0.00 0.00 52.55 52.43 3hpj s ASP 96 Cb -0.30 -1.36 1.93 0.00 -1.46 0.00 0.00 42.92 41.73 3hpj s ASP 96 CO 0.30 0.06 2.17 0.08 0.52 0.00 0.00 175.17 178.30 3hpj h ARG 97 N 7.41 0.00 -0.70 4.34 0.11 -1.95 -1.68 114.38 121.91 3hpj h ARG 97 Ca -0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.75 3hpj h ARG 97 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3hpj h ARG 97 CO 0.54 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.36 3hpj n ASP 98 N -3.01 3.53 0.00 0.08 8.00 -1.26 -4.80 116.55 119.09 3hpj n ASP 98 Ca -0.01 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 53.03 3hpj n ASP 98 Cb 0.16 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 3hpj n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04