#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hla s GLN 2 N 0.00 0.07 -0.01 0.38 -0.21 -1.26 -4.60 119.66 114.02 3hla s GLN 2 Ca 0.00 0.53 0.06 0.00 0.02 0.00 0.00 55.36 55.97 3hla s GLN 2 Cb 0.00 -0.22 -0.02 0.00 1.00 0.00 0.00 33.01 33.78 3hla s GLN 2 CO 0.00 -0.26 -0.19 1.03 -2.12 0.00 0.00 175.29 173.75 3hla s ARG 3 N 1.94 1.54 0.31 2.91 0.52 0.16 -4.91 118.95 121.41 3hla s ARG 3 Ca -0.01 -0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 54.19 3hla s ARG 3 Cb -0.12 -1.51 -0.10 0.00 0.52 0.00 0.00 34.95 33.75 3hla s ARG 3 CO -0.06 0.41 1.18 0.99 0.02 0.00 0.00 175.30 177.84 3hla s THR 4 N -0.49 3.19 0.31 0.02 2.01 -1.26 -2.55 115.64 116.86 3hla s THR 4 Ca 0.07 1.19 -0.28 0.00 0.31 0.00 0.00 61.69 62.98 3hla s THR 4 Cb -0.08 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.59 3hla s THR 4 CO -0.00 0.27 1.12 -2.16 -0.69 0.00 0.00 174.62 173.16 3hla s PRO 5 N -1.63 4.51 -0.11 4.92 0.04 -1.26 -4.17 135.00 137.30 3hla s PRO 5 Ca 0.47 1.82 -0.12 0.00 0.04 0.00 0.00 61.00 63.21 3hla s PRO 5 Cb -0.35 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 3hla s PRO 5 CO 0.45 0.09 0.27 0.15 0.04 0.00 0.00 177.00 178.00 3hla s LYS 6 N -1.66 3.96 -0.05 4.56 1.02 0.82 -4.91 119.74 123.48 3hla s LYS 6 Ca 0.47 0.09 0.05 0.00 0.02 0.00 0.00 55.97 56.60 3hla s LYS 6 Cb -0.32 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.67 3hla s LYS 6 CO 0.41 0.49 -0.19 0.42 -0.92 0.00 0.00 175.35 175.55 3hla s ILE 7 N -0.30 1.61 -0.05 2.17 1.01 -1.26 -0.11 121.20 124.27 3hla s ILE 7 Ca 0.17 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 60.02 3hla s ILE 7 Cb -0.13 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 40.98 3hla s ILE 7 CO 0.06 0.46 -0.09 -1.10 0.00 0.00 0.00 174.94 174.27 3hla s GLN 8 N -0.04 1.22 -0.16 2.79 -0.21 -0.64 -5.00 119.66 117.62 3hla s GLN 8 Ca -0.03 -0.29 -0.02 0.00 0.02 0.00 0.00 55.36 55.04 3hla s GLN 8 Cb -0.12 -1.08 -0.01 0.00 1.00 0.00 0.00 33.01 32.79 3hla s GLN 8 CO 0.02 0.02 -0.10 0.08 -2.12 0.00 0.00 175.29 173.20 3hla s VAL 9 N 0.60 3.22 0.30 1.09 1.01 -1.26 -1.55 120.40 123.81 3hla s VAL 9 Ca -0.10 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 3hla s VAL 9 Cb -0.13 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.88 3hla s VAL 9 CO 0.02 0.49 0.68 -0.72 0.00 0.00 0.00 175.10 175.57 3hla s TYR 10 N 0.69 0.02 -0.05 5.22 -0.85 -0.48 -4.58 117.35 117.32 3hla s TYR 10 Ca -0.05 -0.50 -0.04 0.00 -0.52 0.00 0.00 57.07 55.97 3hla s TYR 10 Cb -0.15 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.77 3hla s TYR 10 CO 0.02 -1.26 0.13 -1.12 -1.52 0.00 0.00 175.55 171.80 3hla s SER 11 N -2.98 6.14 0.17 -0.18 0.01 -1.26 -0.88 113.70 114.72 3hla s SER 11 Ca 0.15 0.33 -0.13 0.00 1.31 0.00 0.00 55.95 57.60 3hla s SER 11 Cb -0.05 -1.90 0.07 0.00 0.21 0.00 0.00 66.02 64.35 3hla s SER 11 CO 0.09 0.32 1.78 -0.09 0.41 0.00 0.00 173.24 175.75 3hla h ARG 12 N 4.35 0.77 -6.63 12.44 2.43 -1.82 -3.43 114.38 122.49 3hla h ARG 12 Ca -0.51 -0.09 -0.64 0.00 -0.81 0.00 0.00 59.98 57.93 3hla h ARG 12 Cb 1.20 -0.15 -0.21 0.00 -0.42 0.00 0.00 29.97 30.39 3hla h ARG 12 CO 0.63 0.59 -0.85 -1.01 -1.51 0.00 0.00 179.97 177.82 3hla s HIS 13 N -5.87 2.14 0.30 2.20 3.76 -1.26 -5.03 115.29 111.54 3hla s HIS 13 Ca -0.13 -0.39 -0.29 0.00 -0.15 0.00 0.00 55.06 54.09 3hla s HIS 13 Cb 0.12 -1.15 -0.13 0.00 1.11 0.00 0.00 32.58 32.54 3hla s HIS 13 CO 0.76 0.32 1.34 -0.35 -0.85 0.00 0.00 174.74 175.97 3hla n PRO 14 N 0.86 2.10 -3.06 8.40 -0.04 -1.26 -4.87 135.00 137.13 3hla n PRO 14 Ca -0.18 0.74 -0.40 0.00 -0.04 0.00 0.00 63.50 63.63 3hla n PRO 14 Cb 0.54 -2.35 -0.05 0.00 -0.04 0.00 0.00 33.50 31.59 3hla n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hla s ALA 15 N -0.64 3.37 -0.11 0.55 0.00 -1.26 -5.06 121.76 118.62 3hla s ALA 15 Ca 0.61 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.73 3hla s ALA 15 Cb -0.60 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 19.61 3hla s ALA 15 CO 0.57 -0.02 -0.14 -1.21 0.00 0.00 0.00 175.76 174.95 3hla s GLU 16 N 0.46 2.09 0.27 0.00 2.02 -1.26 -5.10 118.70 117.18 3hla s GLU 16 Ca 0.37 -0.51 -0.30 0.00 0.02 0.00 0.00 54.97 54.55 3hla s GLU 16 Cb -0.18 -1.82 -0.14 0.00 0.10 0.00 0.00 34.13 32.09 3hla s GLU 16 CO 0.19 -0.09 1.22 0.09 0.02 0.00 0.00 175.26 176.69 3hla n ASN 17 N 4.28 2.09 0.00 -0.19 3.02 -1.26 -1.44 115.26 121.76 3hla n ASN 17 Ca -0.19 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.53 3hla n ASN 17 Cb 0.51 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 3hla n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hla n GLY 18 N 1.54 1.40 3.45 7.41 0.00 -0.27 -4.98 105.19 113.74 3hla n GLY 18 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3hla n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hla s LYS 19 N -0.37 3.60 0.60 1.61 1.02 -0.52 -5.00 119.74 120.68 3hla s LYS 19 Ca 0.00 -0.54 -0.18 0.00 0.02 0.00 0.00 55.97 55.27 3hla s LYS 19 Cb 0.00 -2.96 -0.06 0.00 -0.52 0.00 0.00 37.83 34.29 3hla s LYS 19 CO 0.00 0.12 0.73 -1.13 -0.92 0.00 0.00 175.35 174.15 3hla n SER 20 N 3.89 -0.22 -1.07 2.83 3.41 -1.26 -4.22 113.62 116.98 3hla n SER 20 Ca -0.17 0.75 -0.00 0.00 -0.26 0.00 0.00 58.87 59.18 3hla n SER 20 Cb 0.52 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 3hla n SER 20 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hla n ASN 21 N -0.23 -0.09 -4.08 4.04 2.85 0.22 -4.94 115.26 113.04 3hla n ASN 21 Ca 0.13 -1.06 -0.16 0.00 -0.11 0.00 0.00 54.58 53.38 3hla n ASN 21 Cb 0.48 0.14 -0.12 0.00 1.24 0.00 0.00 39.78 41.52 3hla n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3hla s PHE 22 N -8.13 0.83 -0.20 1.20 0.08 -1.26 -1.80 117.98 108.69 3hla s PHE 22 Ca 0.01 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.67 3hla s PHE 22 Cb -0.00 -0.49 0.02 0.00 -0.57 0.00 0.00 43.02 41.98 3hla s PHE 22 CO 0.00 -0.03 -0.15 -1.17 -0.10 0.00 0.00 175.22 173.78 3hla s LEU 23 N -1.25 2.54 -0.09 -0.37 2.96 0.89 -2.12 118.68 121.24 3hla s LEU 23 Ca -0.04 -0.74 -0.02 0.00 -0.22 0.00 0.00 54.13 53.11 3hla s LEU 23 Cb -0.08 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3hla s LEU 23 CO 0.01 -0.04 -0.01 0.20 -1.32 0.00 0.00 176.35 175.18 3hla s ASN 24 N 1.30 5.13 -0.27 3.68 0.01 -0.06 -2.05 114.94 122.67 3hla s ASN 24 Ca 0.03 0.10 0.01 0.00 -0.71 0.00 0.00 52.86 52.29 3hla s ASN 24 Cb -0.15 -1.47 0.07 0.00 0.41 0.00 0.00 41.25 40.12 3hla s ASN 24 CO -0.10 0.35 -0.02 0.00 -1.51 0.00 0.00 177.10 175.83 3hla s TYR 26 N 1.28 3.17 -0.10 0.00 5.04 -0.59 -0.67 117.35 125.48 3hla s TYR 26 Ca -0.00 0.22 0.01 0.00 -2.44 0.00 0.00 57.07 54.86 3hla s TYR 26 Cb -0.19 -2.97 -0.02 0.00 0.35 0.00 0.00 41.96 39.13 3hla s TYR 26 CO -0.09 -0.56 -0.14 0.14 -1.34 0.00 0.00 175.55 173.56 3hla s VAL 27 N 2.46 3.01 0.32 3.14 -7.23 -0.40 -1.62 120.40 120.08 3hla s VAL 27 Ca 0.20 -0.70 0.06 0.00 -1.81 0.00 0.00 61.98 59.74 3hla s VAL 27 Cb -0.15 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 3hla s VAL 27 CO 0.14 0.55 0.23 -1.54 -0.31 0.00 0.00 175.10 174.17 3hla n SER 28 N 3.10 -0.30 -1.64 4.85 3.41 0.84 -0.89 113.62 123.00 3hla n SER 28 Ca -0.18 -2.99 -0.20 0.00 -0.26 0.00 0.00 58.87 55.24 3hla n SER 28 Cb 0.53 1.42 -0.08 0.00 -0.26 0.00 0.00 64.21 65.81 3hla n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hla n GLY 29 N -0.58 1.72 3.73 5.00 0.00 -0.93 -0.13 105.19 114.00 3hla n GLY 29 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 3hla n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hla s PHE 30 N -2.71 2.81 -0.28 1.61 -0.71 -1.24 -4.21 117.98 113.26 3hla s PHE 30 Ca 0.00 -0.25 -0.20 0.00 -1.04 0.00 0.00 56.93 55.44 3hla s PHE 30 Cb 0.00 -1.42 0.08 0.00 -1.21 0.00 0.00 43.02 40.47 3hla s PHE 30 CO 0.00 0.48 0.74 -1.58 -1.34 0.00 0.00 175.22 173.52 3hla s HIS 31 N -2.31 -0.90 0.91 3.49 2.46 -1.06 -1.01 115.29 116.87 3hla s HIS 31 Ca 0.34 1.94 -0.12 0.00 0.47 0.00 0.00 55.06 57.70 3hla s HIS 31 Cb -0.05 0.46 0.14 0.00 -0.13 0.00 0.00 32.58 32.99 3hla s HIS 31 CO 0.22 -0.44 1.14 -1.25 -2.47 0.00 0.00 174.74 171.95 3hla s PRO 32 N 1.04 1.18 0.52 2.88 0.04 -1.26 -0.67 135.00 138.73 3hla s PRO 32 Ca -0.05 0.27 0.31 0.00 0.04 0.00 0.00 61.00 61.57 3hla s PRO 32 Cb -0.05 -1.85 1.12 0.00 0.04 0.00 0.00 34.50 33.76 3hla s PRO 32 CO -0.10 -2.17 1.89 0.66 0.04 0.00 0.00 177.00 177.32 3hla h SER 33 N -1.48 0.00 -2.83 6.66 4.64 -2.00 -3.42 113.55 115.13 3hla h SER 33 Ca -0.50 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.26 3hla h SER 33 Cb 1.33 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.39 3hla h SER 33 CO 0.62 0.02 0.95 -1.81 -0.87 0.00 0.00 176.83 175.74 3hla s ASP 34 N -5.84 6.87 -0.07 4.97 1.01 -1.26 -4.95 116.67 117.40 3hla s ASP 34 Ca 0.02 1.85 -0.13 0.00 0.71 0.00 0.00 52.55 55.01 3hla s ASP 34 Cb 0.08 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.50 3hla s ASP 34 CO 0.58 -0.80 0.32 -0.51 0.21 0.00 0.00 175.17 174.96 3hla s ILE 35 N 3.61 0.03 -0.19 0.77 2.07 -1.26 -4.52 121.20 121.70 3hla s ILE 35 Ca 0.60 -0.24 -0.01 0.00 -1.41 0.00 0.00 60.65 59.58 3hla s ILE 35 Cb -0.25 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 41.80 3hla s ILE 35 CO 0.19 -0.13 -0.12 -1.83 -1.91 0.00 0.00 174.94 171.14 3hla s GLU 36 N -0.58 3.22 -0.07 3.50 -1.05 0.29 -4.98 118.70 119.02 3hla s GLU 36 Ca -0.07 -0.72 0.04 0.00 -0.15 0.00 0.00 54.97 54.08 3hla s GLU 36 Cb -0.04 -2.78 -0.00 0.00 -0.44 0.00 0.00 34.13 30.87 3hla s GLU 36 CO 0.02 -0.15 -0.21 0.08 0.95 0.00 0.00 175.26 175.95 3hla s VAL 37 N 1.26 1.80 -0.16 1.83 1.01 -1.26 -0.81 120.40 124.07 3hla s VAL 37 Ca 0.03 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 3hla s VAL 37 Cb -0.14 -1.56 0.05 0.00 0.00 0.00 0.00 36.38 34.73 3hla s VAL 37 CO -0.06 0.50 0.41 1.51 0.00 0.00 0.00 175.10 177.47 3hla s ASP 38 N 0.20 -0.46 -0.02 3.32 3.84 -0.57 -5.01 116.67 117.97 3hla s ASP 38 Ca -0.11 0.85 -0.30 0.00 -0.00 0.00 0.00 52.55 52.99 3hla s ASP 38 Cb -0.15 0.82 -0.04 0.00 -1.38 0.00 0.00 42.92 42.17 3hla s ASP 38 CO 0.06 -0.16 1.19 -0.76 -0.00 0.00 0.00 175.17 175.50 3hla s LEU 39 N 0.62 4.31 -0.16 2.11 1.43 -1.26 -0.85 118.68 124.88 3hla s LEU 39 Ca -0.03 1.86 -0.01 0.00 -1.03 0.00 0.00 54.13 54.92 3hla s LEU 39 Cb -0.05 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 3hla s LEU 39 CO -0.04 -0.54 -0.11 -0.76 0.23 0.00 0.00 176.35 175.13 3hla s LEU 40 N 1.87 2.71 -0.21 1.79 1.43 0.16 -0.88 118.68 125.54 3hla s LEU 40 Ca 0.56 -0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 53.16 3hla s LEU 40 Cb -0.26 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3hla s LEU 40 CO 0.24 0.10 0.31 -0.75 0.23 0.00 0.00 176.35 176.49 3hla s LYS 41 N 0.71 4.14 -1.53 1.70 2.20 0.49 -1.09 119.74 126.37 3hla s LYS 41 Ca -0.05 0.03 -0.16 0.00 -0.36 0.00 0.00 55.97 55.43 3hla s LYS 41 Cb -0.15 -3.53 0.13 0.00 -1.51 0.00 0.00 37.83 32.77 3hla s LYS 41 CO 0.02 0.01 0.68 0.09 -0.36 0.00 0.00 175.35 175.79 3hla n ASN 42 N 4.36 -3.35 0.00 1.43 3.02 0.45 -0.81 115.26 120.37 3hla n ASN 42 Ca -0.11 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 3hla n ASN 42 Cb 0.51 -2.76 0.00 0.00 -0.61 0.00 0.00 39.78 36.93 3hla n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hla n GLY 43 N -1.29 1.85 3.77 7.41 0.00 -1.26 -4.98 105.19 110.69 3hla n GLY 43 Ca 0.05 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 3hla n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hla s GLU 44 N 0.00 4.10 0.26 1.61 2.56 0.01 -4.88 118.70 122.36 3hla s GLU 44 Ca 0.00 2.10 -0.29 0.00 0.00 0.00 0.00 54.97 56.78 3hla s GLU 44 Cb 0.00 -2.83 -0.09 0.00 2.00 0.00 0.00 34.13 33.21 3hla s GLU 44 CO 0.00 -0.37 0.96 0.50 -0.56 0.00 0.00 175.26 175.79 3hla s ARG 45 N -2.12 4.78 0.07 4.30 3.52 -1.26 -0.38 118.95 127.86 3hla s ARG 45 Ca 0.55 1.49 -0.19 0.00 -0.13 0.00 0.00 55.73 57.45 3hla s ARG 45 Cb -0.37 -3.17 -0.07 0.00 -1.56 0.00 0.00 34.95 29.78 3hla s ARG 45 CO 0.48 0.44 0.55 0.42 -0.81 0.00 0.00 175.30 176.38 3hla s ILE 46 N -1.26 4.78 0.59 4.11 1.01 -0.06 -4.82 121.20 125.55 3hla s ILE 46 Ca 0.43 1.15 0.09 0.00 0.00 0.00 0.00 60.65 62.33 3hla s ILE 46 Cb -0.25 -3.87 0.09 0.00 0.01 0.00 0.00 42.46 38.44 3hla s ILE 46 CO 0.31 0.54 0.77 -1.61 0.00 0.00 0.00 174.94 174.95 3hla s GLU 47 N -1.15 2.24 -0.93 2.79 2.02 -1.26 -4.69 118.70 117.72 3hla s GLU 47 Ca 0.29 -1.74 -0.06 0.00 0.02 0.00 0.00 54.97 53.48 3hla s GLU 47 Cb -0.19 -2.57 0.01 0.00 0.10 0.00 0.00 34.13 31.48 3hla s GLU 47 CO 0.18 -0.90 0.80 1.17 0.02 0.00 0.00 175.26 176.53 3hla n LYS 48 N -2.23 -5.38 -4.01 1.61 4.81 -1.26 -5.01 118.16 106.68 3hla n LYS 48 Ca 0.14 0.57 -0.35 0.00 -0.87 0.00 0.00 58.31 57.80 3hla n LYS 48 Cb 0.62 -4.82 -0.11 0.00 0.02 0.00 0.00 35.03 30.74 3hla n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3hla s VAL 49 N -3.21 4.50 0.64 3.15 1.01 -1.26 -4.75 120.40 120.47 3hla s VAL 49 Ca 0.39 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.31 3hla s VAL 49 Cb -0.17 -3.04 0.11 0.00 0.00 0.00 0.00 36.38 33.28 3hla s VAL 49 CO 0.49 0.43 0.88 -1.61 0.00 0.00 0.00 175.10 175.29 3hla s GLU 50 N 0.73 2.03 -0.06 2.72 2.02 0.45 -4.89 118.70 121.69 3hla s GLU 50 Ca 0.02 -1.51 -0.29 0.00 0.02 0.00 0.00 54.97 53.22 3hla s GLU 50 Cb -0.14 -2.53 0.10 0.00 0.10 0.00 0.00 34.13 31.67 3hla s GLU 50 CO 0.02 -1.12 0.88 -3.38 0.02 0.00 0.00 175.26 171.68 3hla s HIS 51 N -2.86 -0.42 0.99 1.61 -3.43 -1.26 -1.16 115.29 108.76 3hla s HIS 51 Ca 0.64 0.54 -0.14 0.00 -0.80 0.00 0.00 55.06 55.30 3hla s HIS 51 Cb -0.05 0.48 0.18 0.00 -1.43 0.00 0.00 32.58 31.77 3hla s HIS 51 CO 0.41 -0.50 1.15 -1.54 -2.00 0.00 0.00 174.74 172.27 3hla s SER 52 N -1.74 2.80 0.04 7.38 1.04 -0.29 -4.98 113.70 117.95 3hla s SER 52 Ca -0.01 0.81 -0.28 0.00 0.48 0.00 0.00 55.95 56.96 3hla s SER 52 Cb -0.01 -1.25 -0.05 0.00 0.10 0.00 0.00 66.02 64.82 3hla s SER 52 CO -0.02 -2.98 0.88 -1.81 0.98 0.00 0.00 173.24 170.29 3hla s ASP 53 N -4.06 7.32 -0.05 7.02 1.01 -1.26 -4.82 116.67 121.82 3hla s ASP 53 Ca 0.67 1.58 -0.34 0.00 0.71 0.00 0.00 52.55 55.17 3hla s ASP 53 Cb -0.13 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.16 3hla s ASP 53 CO 0.54 -0.11 1.83 -0.11 0.21 0.00 0.00 175.17 177.54 3hla n LEU 54 N 3.25 3.37 -4.32 1.23 7.94 -1.26 -4.97 117.00 122.24 3hla n LEU 54 Ca 0.02 0.99 -0.18 0.00 -1.11 0.00 0.00 56.01 55.73 3hla n LEU 54 Cb 0.50 -1.37 -0.09 0.00 0.53 0.00 0.00 43.42 42.99 3hla n LEU 54 CO 0.50 -0.10 -0.20 -0.55 -1.11 0.00 0.00 177.39 175.93 3hla s SER 55 N 3.56 1.40 0.05 1.96 0.15 -1.25 -5.06 113.70 114.51 3hla s SER 55 Ca 0.91 -1.55 -0.00 0.00 0.70 0.00 0.00 55.95 56.00 3hla s SER 55 Cb -0.70 0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 63.98 3hla s SER 55 CO 0.50 -0.89 -0.04 0.72 1.20 0.00 0.00 173.24 174.72 3hla s PHE 56 N -3.65 0.49 0.00 3.44 -0.71 -1.26 -1.60 117.98 114.69 3hla s PHE 56 Ca 0.36 -0.82 0.00 0.00 -1.04 0.00 0.00 56.93 55.44 3hla s PHE 56 Cb 0.05 -0.34 0.00 0.00 -1.21 0.00 0.00 43.02 41.52 3hla s PHE 56 CO 0.18 -0.26 0.00 -1.13 -1.34 0.00 0.00 175.22 172.67 3hla n SER 57 N 0.71 0.59 -0.06 1.98 3.41 0.19 -4.96 113.62 115.48 3hla n SER 57 Ca -0.18 -0.11 0.05 0.00 -0.26 0.00 0.00 58.87 58.38 3hla n SER 57 Cb 0.58 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.94 3hla n SER 57 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3hla h LYS 58 N 0.00 0.59 -0.90 4.33 3.64 -2.02 -1.20 116.57 121.00 3hla h LYS 58 Ca 0.00 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 59.04 3hla h LYS 58 Cb 0.00 -0.13 -0.18 0.00 -0.41 0.00 0.00 32.23 31.51 3hla h LYS 58 CO 0.00 0.39 0.39 -0.40 -2.27 0.00 0.00 179.45 177.56 3hla n ASP 59 N -4.47 4.00 0.00 4.20 3.85 -1.26 -4.88 116.55 117.99 3hla n ASP 59 Ca 0.06 -3.17 0.00 0.00 -0.71 0.00 0.00 54.79 50.97 3hla n ASP 59 Cb 0.14 -0.75 0.00 0.00 -1.35 0.00 0.00 41.12 39.16 3hla n ASP 59 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3hla n TRP 60 N -0.47 0.00 -2.72 2.11 7.02 -0.45 -4.99 117.44 117.93 3hla n TRP 60 Ca 0.42 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.55 3hla n TRP 60 Cb 1.35 -1.21 -0.06 0.00 -2.42 0.00 0.00 31.31 28.97 3hla n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3hla s SER 61 N -2.14 6.90 0.93 -0.99 1.04 -1.26 -4.67 113.70 113.52 3hla s SER 61 Ca 0.00 1.81 -0.12 0.00 0.48 0.00 0.00 55.95 58.13 3hla s SER 61 Cb 0.00 -2.56 0.15 0.00 0.10 0.00 0.00 66.02 63.71 3hla s SER 61 CO 0.00 -0.39 1.09 -0.36 0.98 0.00 0.00 173.24 174.56 3hla s PHE 62 N -1.94 2.21 -0.06 5.02 0.08 -0.18 -0.63 117.98 122.47 3hla s PHE 62 Ca 0.60 1.22 -0.29 0.00 0.12 0.00 0.00 56.93 58.57 3hla s PHE 62 Cb -0.14 -3.18 0.09 0.00 -0.57 0.00 0.00 43.02 39.22 3hla s PHE 62 CO 0.19 -2.58 0.81 1.52 -0.10 0.00 0.00 175.22 175.06 3hla s TYR 63 N -2.91 -0.50 -0.12 0.36 -0.85 -0.62 -2.19 117.35 110.52 3hla s TYR 63 Ca 0.64 0.72 -0.14 0.00 -0.52 0.00 0.00 57.07 57.77 3hla s TYR 63 Cb -0.19 0.46 0.03 0.00 0.38 0.00 0.00 41.96 42.65 3hla s TYR 63 CO 0.57 -0.54 0.37 -0.51 -1.52 0.00 0.00 175.55 173.93 3hla s LEU 64 N -1.56 0.59 -0.17 -3.49 1.43 -0.07 -3.78 118.68 111.64 3hla s LEU 64 Ca -0.04 0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 53.71 3hla s LEU 64 Cb -0.00 1.30 -0.01 0.00 0.03 0.00 0.00 46.19 47.51 3hla s LEU 64 CO 0.01 -0.18 -0.11 -0.22 0.23 0.00 0.00 176.35 176.08 3hla s LEU 65 N -0.05 2.70 -0.07 1.79 2.96 -1.26 -1.27 118.68 123.48 3hla s LEU 65 Ca -0.02 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.48 3hla s LEU 65 Cb -0.03 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 3hla s LEU 65 CO 0.01 0.08 0.02 -0.31 -1.32 0.00 0.00 176.35 174.83 3hla s TYR 66 N 0.87 3.21 0.13 5.38 2.02 0.15 -1.13 117.35 127.97 3hla s TYR 66 Ca -0.03 0.22 -0.14 0.00 -0.37 0.00 0.00 57.07 56.75 3hla s TYR 66 Cb -0.15 -1.79 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 3hla s TYR 66 CO 0.00 0.50 0.35 1.52 -1.57 0.00 0.00 175.55 176.35 3hla s TYR 67 N -0.94 -0.06 -0.01 2.71 -0.85 -0.31 -0.69 117.35 117.19 3hla s TYR 67 Ca 0.15 -0.29 -0.12 0.00 -0.52 0.00 0.00 57.07 56.29 3hla s TYR 67 Cb -0.11 0.17 0.01 0.00 0.38 0.00 0.00 41.96 42.41 3hla s TYR 67 CO 0.04 -0.68 0.24 -0.08 -1.52 0.00 0.00 175.55 173.55 3hla s THR 68 N -3.84 0.06 0.15 -3.49 -1.32 -0.87 -0.41 115.64 105.92 3hla s THR 68 Ca 0.05 -0.52 -0.29 0.00 -1.21 0.00 0.00 61.69 59.72 3hla s THR 68 Cb 0.02 -0.53 -0.07 0.00 -1.51 0.00 0.00 72.50 70.42 3hla s THR 68 CO -0.10 -0.29 0.93 -0.70 -2.21 0.00 0.00 174.62 172.25 3hla s GLU 69 N -1.24 4.73 0.23 7.08 2.12 -1.26 -0.08 118.70 130.28 3hla s GLU 69 Ca -0.13 1.42 -0.14 0.00 0.36 0.00 0.00 54.97 56.49 3hla s GLU 69 Cb -0.06 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 31.00 3hla s GLU 69 CO 0.03 0.34 0.48 -0.59 -0.54 0.00 0.00 175.26 174.98 3hla s PHE 70 N -0.47 0.23 -0.18 5.30 -0.71 -0.74 -4.91 117.98 116.50 3hla s PHE 70 Ca 0.44 -0.60 -0.03 0.00 -1.04 0.00 0.00 56.93 55.70 3hla s PHE 70 Cb -0.24 0.23 0.06 0.00 -1.21 0.00 0.00 43.02 41.86 3hla s PHE 70 CO 0.30 -0.96 0.03 0.99 -1.34 0.00 0.00 175.22 174.24 3hla s THR 71 N -3.98 0.55 0.61 -4.49 2.01 -1.26 0.73 115.64 109.81 3hla s THR 71 Ca 0.18 -0.52 -0.19 0.00 0.31 0.00 0.00 61.69 61.48 3hla s THR 71 Cb -0.01 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 3hla s THR 71 CO 0.05 -0.15 1.28 -2.16 -0.69 0.00 0.00 174.62 172.95 3hla s PRO 72 N 1.85 2.83 0.30 4.92 0.04 -1.26 -4.76 135.00 138.93 3hla s PRO 72 Ca -0.00 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.08 3hla s PRO 72 Cb -0.17 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 3hla s PRO 72 CO -0.08 -1.37 0.13 0.25 0.04 0.00 0.00 177.00 175.98 3hla n THR 73 N -1.60 0.00 0.08 1.26 -2.24 -1.26 -1.11 114.28 109.41 3hla n THR 73 Ca 0.14 -1.82 -0.10 0.00 -2.27 0.00 0.00 64.05 60.00 3hla n THR 73 Cb 0.48 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 3hla n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3hla h GLU 74 N 0.00 0.23 0.00 -0.78 5.08 -1.99 -3.37 114.58 113.76 3hla h GLU 74 Ca -0.23 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 57.68 3hla h GLU 74 Cb 0.93 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 3hla h GLU 74 CO 0.36 0.98 -0.89 1.57 -1.00 0.00 0.00 179.01 180.03 3hla h LYS 75 N 0.13 0.00 -5.75 2.33 -0.00 -2.01 -3.45 116.57 107.82 3hla h LYS 75 Ca -0.05 -0.00 -0.58 0.00 -0.00 0.00 0.00 60.65 60.01 3hla h LYS 75 Cb 1.53 0.00 -0.08 0.00 -0.00 0.00 0.00 32.23 33.67 3hla h LYS 75 CO 0.14 0.89 0.08 -0.51 -0.00 0.00 0.00 179.45 180.05 3hla s ASP 76 N -6.75 6.75 -0.07 7.07 -0.00 -1.26 -5.05 116.67 117.35 3hla s ASP 76 Ca 0.00 0.91 -0.14 0.00 -0.00 0.00 0.00 52.55 53.31 3hla s ASP 76 Cb 0.11 -2.35 -0.05 0.00 -0.00 0.00 0.00 42.92 40.62 3hla s ASP 76 CO 0.80 -0.20 0.37 -0.70 -0.00 0.00 0.00 175.17 175.44 3hla s GLU 77 N 1.50 4.03 0.26 8.23 2.12 -1.26 -4.71 118.70 128.88 3hla s GLU 77 Ca 0.30 0.30 0.11 0.00 0.36 0.00 0.00 54.97 56.04 3hla s GLU 77 Cb -0.16 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 3hla s GLU 77 CO 0.12 0.50 -0.14 0.71 -0.54 0.00 0.00 175.26 175.91 3hla s TYR 78 N -0.41 2.43 0.25 5.30 2.02 -1.26 -0.41 117.35 125.27 3hla s TYR 78 Ca 0.22 -0.29 -0.21 0.00 -0.37 0.00 0.00 57.07 56.41 3hla s TYR 78 Cb -0.15 -1.08 0.03 0.00 -0.40 0.00 0.00 41.96 40.36 3hla s TYR 78 CO 0.10 0.66 0.69 0.00 -1.57 0.00 0.00 175.55 175.43 3hla s ALA 79 N -2.35 -1.29 -0.07 3.71 0.00 -0.25 -1.57 121.76 119.93 3hla s ALA 79 Ca 0.30 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.14 3hla s ALA 79 Cb -0.06 0.86 0.02 0.00 0.00 0.00 0.00 23.12 23.94 3hla s ALA 79 CO 0.16 -0.97 -0.10 0.00 0.00 0.00 0.00 175.76 174.84 3hla s ARG 81 N 0.91 3.47 -0.00 0.00 3.52 -0.03 -0.68 118.95 126.15 3hla s ARG 81 Ca -0.10 -0.47 0.03 0.00 -0.13 0.00 0.00 55.73 55.07 3hla s ARG 81 Cb -0.15 -2.90 -0.01 0.00 -1.56 0.00 0.00 34.95 30.33 3hla s ARG 81 CO 0.01 0.40 -0.10 0.08 -0.81 0.00 0.00 175.30 174.87 3hla s VAL 82 N -0.05 0.80 -0.04 7.11 1.01 0.19 -1.51 120.40 127.91 3hla s VAL 82 Ca 0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3hla s VAL 82 Cb -0.13 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.60 3hla s VAL 82 CO 0.02 0.18 0.09 0.21 0.00 0.00 0.00 175.10 175.60 3hla s ASN 83 N -0.36 0.13 0.09 3.32 2.47 0.01 0.62 114.94 121.22 3hla s ASN 83 Ca 0.03 0.17 -0.08 0.00 0.42 0.00 0.00 52.86 53.40 3hla s ASN 83 Cb -0.04 0.05 -0.01 0.00 -1.45 0.00 0.00 41.25 39.80 3hla s ASN 83 CO -0.00 -0.15 0.18 -2.28 -3.72 0.00 0.00 177.10 171.13 3hla s HIS 84 N 1.28 0.20 0.63 0.43 5.65 -1.26 -0.55 115.29 121.68 3hla s HIS 84 Ca -0.07 -0.64 0.34 0.00 0.25 0.00 0.00 55.06 54.95 3hla s HIS 84 Cb -0.12 -0.08 1.94 0.00 -1.18 0.00 0.00 32.58 33.14 3hla s HIS 84 CO -0.04 -0.55 2.20 -0.24 -0.65 0.00 0.00 174.74 175.45 3hla h VAL 85 N 2.76 0.26 0.00 0.89 3.04 -1.92 -0.28 116.25 121.00 3hla h VAL 85 Ca -0.34 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 3hla h VAL 85 Cb 1.20 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 3hla h VAL 85 CO 0.56 0.00 -0.12 0.35 -1.01 0.00 0.00 177.57 177.35 3hla n THR 86 N -3.44 0.28 -3.32 3.17 -2.24 -1.26 -4.73 114.28 102.73 3hla n THR 86 Ca -0.01 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 3hla n THR 86 Cb 0.20 -0.42 -0.09 0.00 -2.10 0.00 0.00 70.33 67.92 3hla n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hla s LEU 87 N -3.77 4.39 0.38 3.22 1.43 -0.12 -4.94 118.68 119.27 3hla s LEU 87 Ca 0.11 -0.12 0.24 0.00 -1.03 0.00 0.00 54.13 53.33 3hla s LEU 87 Cb 0.15 -2.46 1.29 0.00 0.03 0.00 0.00 46.19 45.21 3hla s LEU 87 CO 0.60 -0.41 1.72 0.28 0.23 0.00 0.00 176.35 178.77 3hla h SER 88 N 8.45 0.00 -5.00 2.29 0.02 -1.85 -3.43 113.55 114.03 3hla h SER 88 Ca -0.29 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.63 3hla h SER 88 Cb 1.13 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.53 3hla h SER 88 CO 0.73 0.00 0.18 -1.58 -1.14 0.00 0.00 176.83 175.02 3hla s GLN 89 N -3.62 1.19 0.57 3.45 0.74 -1.26 -5.17 119.66 115.56 3hla s GLN 89 Ca -0.03 -0.26 -0.18 0.00 0.05 0.00 0.00 55.36 54.94 3hla s GLN 89 Cb 0.07 0.55 -0.05 0.00 1.10 0.00 0.00 33.01 34.68 3hla s GLN 89 CO 0.22 -0.47 1.10 -1.25 -0.55 0.00 0.00 175.29 174.33 3hla s PRO 90 N -2.94 3.30 -0.28 1.67 0.04 -1.26 -4.85 135.00 130.68 3hla s PRO 90 Ca -0.03 1.47 -0.08 0.00 0.04 0.00 0.00 61.00 62.40 3hla s PRO 90 Cb -0.01 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 3hla s PRO 90 CO -0.06 -0.87 0.11 0.15 0.04 0.00 0.00 177.00 176.37 3hla s LYS 91 N -3.56 3.45 -0.67 4.56 1.02 0.20 -4.87 119.74 119.87 3hla s LYS 91 Ca 0.69 -0.63 -0.17 0.00 0.02 0.00 0.00 55.97 55.88 3hla s LYS 91 Cb -0.21 -3.44 0.14 0.00 -0.52 0.00 0.00 37.83 33.80 3hla s LYS 91 CO 0.30 -0.32 0.71 0.42 -0.92 0.00 0.00 175.35 175.55 3hla s ILE 92 N 1.60 5.09 -0.30 2.17 1.01 -1.26 -0.64 121.20 128.87 3hla s ILE 92 Ca 0.05 -1.51 -0.11 0.00 0.00 0.00 0.00 60.65 59.07 3hla s ILE 92 Cb -0.16 -4.48 -0.03 0.00 0.01 0.00 0.00 42.46 37.79 3hla s ILE 92 CO 0.05 -1.08 0.20 0.54 0.00 0.00 0.00 174.94 174.64 3hla s VAL 93 N 1.85 5.18 0.56 2.92 0.11 0.15 -4.89 120.40 126.27 3hla s VAL 93 Ca 0.13 -0.03 -0.19 0.00 -2.93 0.00 0.00 61.98 58.96 3hla s VAL 93 Cb -0.20 -3.54 -0.05 0.00 -1.53 0.00 0.00 36.38 31.05 3hla s VAL 93 CO 0.00 0.15 1.12 -0.54 -3.33 0.00 0.00 175.10 172.50 3hla s LYS 94 N 1.73 3.30 0.07 1.54 1.02 -1.26 -1.30 119.74 124.84 3hla s LYS 94 Ca 0.06 1.55 -0.28 0.00 0.02 0.00 0.00 55.97 57.33 3hla s LYS 94 Cb -0.16 -2.00 -0.05 0.00 -0.52 0.00 0.00 37.83 35.09 3hla s LYS 94 CO 0.10 -0.88 0.89 -0.46 -0.92 0.00 0.00 175.35 174.08 3hla s TRP 95 N -1.89 3.77 -0.10 3.18 -0.00 -0.61 -4.85 118.94 118.44 3hla s TRP 95 Ca 0.71 1.66 0.04 0.00 -0.00 0.00 0.00 56.10 58.51 3hla s TRP 95 Cb -0.23 -2.97 0.00 0.00 -0.00 0.00 0.00 33.47 30.27 3hla s TRP 95 CO 0.29 0.21 -0.23 0.34 -0.00 0.00 0.00 176.95 177.55 3hla s ASP 96 N 0.09 3.03 0.00 5.86 3.68 -1.26 -4.79 116.67 123.28 3hla s ASP 96 Ca 0.44 -0.55 0.30 0.00 2.13 0.00 0.00 52.55 54.87 3hla s ASP 96 Cb -0.22 -1.38 1.57 0.00 -1.45 0.00 0.00 42.92 41.44 3hla s ASP 96 CO 0.27 0.15 2.04 -2.11 0.13 0.00 0.00 175.17 175.65 3hla n ARG 97 N 3.55 1.23 -0.17 4.34 1.85 -1.26 -2.65 116.66 123.56 3hla n ARG 97 Ca -0.19 -0.34 0.12 0.00 -1.00 0.00 0.00 57.85 56.44 3hla n ARG 97 Cb 0.53 -1.48 0.24 0.00 -1.05 0.00 0.00 32.46 30.69 3hla n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3hla n ASP 98 N -0.58 3.17 0.00 2.89 8.00 -1.26 -4.80 116.55 123.97 3hla n ASP 98 Ca 0.22 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.76 3hla n ASP 98 Cb 0.19 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 3hla n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04