#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hla s GLN 2 N 0.00 1.34 -0.16 6.28 -0.21 -1.26 -4.41 119.66 121.24 2hla s GLN 2 Ca 0.00 -1.45 -0.20 0.00 0.02 0.00 0.00 55.36 53.73 2hla s GLN 2 Cb 0.00 -1.46 0.05 0.00 1.00 0.00 0.00 33.01 32.60 2hla s GLN 2 CO 0.00 0.30 0.55 -0.98 -2.12 0.00 0.00 175.29 173.04 2hla s ARG 3 N -2.79 0.71 0.21 2.91 3.03 0.01 -4.95 118.95 118.09 2hla s ARG 3 Ca 0.17 0.59 -0.30 0.00 2.03 0.00 0.00 55.73 58.23 2hla s ARG 3 Cb -0.06 0.34 -0.08 0.00 -1.03 0.00 0.00 34.95 34.11 2hla s ARG 3 CO 0.08 -0.12 1.15 0.99 -1.13 0.00 0.00 175.30 176.26 2hla s THR 4 N -0.10 3.60 0.39 4.99 2.01 -1.26 -2.56 115.64 122.72 2hla s THR 4 Ca -0.03 1.42 -0.27 0.00 0.31 0.00 0.00 61.69 63.13 2hla s THR 4 Cb -0.03 -3.91 -0.09 0.00 0.01 0.00 0.00 72.50 68.47 2hla s THR 4 CO 0.02 0.26 1.32 -2.16 -0.69 0.00 0.00 174.62 173.38 2hla s PRO 5 N -0.62 4.07 0.05 4.92 0.04 -1.26 -4.05 135.00 138.14 2hla s PRO 5 Ca 0.50 2.21 -0.03 0.00 0.04 0.00 0.00 61.00 63.72 2hla s PRO 5 Cb -0.32 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 2hla s PRO 5 CO 0.38 -0.43 0.25 0.15 0.04 0.00 0.00 177.00 177.38 2hla s LYS 6 N -2.12 3.50 0.03 4.56 1.02 -0.10 -4.95 119.74 121.67 2hla s LYS 6 Ca 0.55 -0.28 0.03 0.00 0.02 0.00 0.00 55.97 56.29 2hla s LYS 6 Cb -0.39 -3.03 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 2hla s LYS 6 CO 0.51 0.61 -0.10 0.42 -0.92 0.00 0.00 175.35 175.87 2hla s ILE 7 N -1.45 0.77 -0.16 2.17 1.09 -1.26 -3.02 121.20 119.33 2hla s ILE 7 Ca 0.33 -0.85 -0.06 0.00 -1.10 0.00 0.00 60.65 58.97 2hla s ILE 7 Cb -0.13 -0.73 0.08 0.00 -1.06 0.00 0.00 42.46 40.62 2hla s ILE 7 CO 0.23 -0.10 0.33 -1.10 -0.10 0.00 0.00 174.94 174.20 2hla s GLN 8 N -1.06 0.23 -0.12 2.79 -0.21 -0.81 -4.97 119.66 115.52 2hla s GLN 8 Ca -0.02 0.86 -0.10 0.00 0.02 0.00 0.00 55.36 56.11 2hla s GLN 8 Cb -0.07 0.09 -0.05 0.00 1.00 0.00 0.00 33.01 33.98 2hla s GLN 8 CO 0.01 -0.29 0.22 0.08 -2.12 0.00 0.00 175.29 173.19 2hla s VAL 9 N 2.51 5.36 0.38 1.09 1.01 -1.26 -0.59 120.40 128.89 2hla s VAL 9 Ca 0.00 0.40 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 2hla s VAL 9 Cb -0.12 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.78 2hla s VAL 9 CO -0.11 0.54 0.69 -0.72 0.00 0.00 0.00 175.10 175.50 2hla s TYR 10 N -0.55 0.44 0.38 5.22 -0.85 -0.77 -4.76 117.35 116.47 2hla s TYR 10 Ca 0.16 -0.98 0.08 0.00 -0.52 0.00 0.00 57.07 55.81 2hla s TYR 10 Cb -0.13 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 2hla s TYR 10 CO 0.05 -1.44 0.30 -1.54 -1.52 0.00 0.00 175.55 171.40 2hla s SER 11 N -3.13 5.00 0.10 -0.18 1.04 -1.26 -0.93 113.70 114.34 2hla s SER 11 Ca 0.20 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.93 2hla s SER 11 Cb -0.04 -0.69 -0.24 0.00 0.10 0.00 0.00 66.02 65.15 2hla s SER 11 CO 0.15 -0.51 1.21 -0.09 0.98 0.00 0.00 173.24 174.98 2hla h ARG 12 N 1.20 0.15 -5.57 4.02 2.43 -1.76 -3.46 114.38 111.40 2hla h ARG 12 Ca -0.43 -0.26 -0.44 0.00 -0.81 0.00 0.00 59.98 58.04 2hla h ARG 12 Cb 1.26 0.10 -0.17 0.00 -0.42 0.00 0.00 29.97 30.73 2hla h ARG 12 CO 0.60 1.12 -0.76 -1.01 -1.51 0.00 0.00 179.97 178.41 2hla s HIS 13 N -2.70 1.56 -0.09 2.20 3.76 -1.26 -5.05 115.29 113.71 2hla s HIS 13 Ca -0.02 -0.55 -0.39 0.00 -0.15 0.00 0.00 55.06 53.95 2hla s HIS 13 Cb 0.08 -0.79 -0.17 0.00 1.11 0.00 0.00 32.58 32.81 2hla s HIS 13 CO 0.85 0.22 1.42 -2.30 -0.85 0.00 0.00 174.74 174.09 2hla n PRO 14 N 0.28 0.82 -2.43 8.40 -0.02 -1.26 -4.87 135.00 135.91 2hla n PRO 14 Ca -0.13 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 2hla n PRO 14 Cb 0.58 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 32.11 2hla n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hla s ALA 15 N 1.45 3.40 -0.06 3.55 0.00 -1.26 -5.00 121.76 123.85 2hla s ALA 15 Ca 0.91 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.76 2hla s ALA 15 Cb -1.10 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 18.65 2hla s ALA 15 CO 0.57 -0.31 -0.03 -2.00 0.00 0.00 0.00 175.76 173.99 2hla s GLU 16 N -0.19 0.81 0.47 0.00 2.12 -1.26 -5.12 118.70 115.53 2hla s GLU 16 Ca 0.52 -0.05 -0.24 0.00 0.36 0.00 0.00 54.97 55.56 2hla s GLU 16 Cb -0.31 -0.94 -0.07 0.00 0.26 0.00 0.00 34.13 33.07 2hla s GLU 16 CO 0.35 -0.17 1.26 -0.80 -0.54 0.00 0.00 175.26 175.37 2hla s ASN 17 N 1.32 5.95 0.00 -1.70 -0.87 -1.26 -1.94 114.94 116.43 2hla s ASN 17 Ca -0.05 2.55 0.00 0.00 -1.57 0.00 0.00 52.86 53.79 2hla s ASN 17 Cb -0.14 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.47 2hla s ASN 17 CO -0.02 -1.09 0.00 0.61 -2.57 0.00 0.00 177.10 174.03 2hla n GLY 18 N 0.60 2.72 3.90 0.66 0.00 0.29 -4.95 105.19 108.40 2hla n GLY 18 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2hla n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hla s LYS 19 N -0.06 3.47 0.47 1.61 1.02 -0.82 -4.91 119.74 120.52 2hla s LYS 19 Ca 0.00 -0.27 -0.19 0.00 0.02 0.00 0.00 55.97 55.53 2hla s LYS 19 Cb 0.00 -3.09 -0.09 0.00 -0.52 0.00 0.00 37.83 34.13 2hla s LYS 19 CO 0.00 0.66 0.97 -1.54 -0.92 0.00 0.00 175.35 174.53 2hla s SER 20 N -1.91 6.76 0.00 2.83 1.04 -1.26 -3.32 113.70 117.83 2hla s SER 20 Ca 0.28 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.35 2hla s SER 20 Cb -0.13 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2hla s SER 20 CO 0.18 -0.49 0.00 -3.20 0.98 0.00 0.00 173.24 170.71 2hla n ASN 21 N -1.10 0.00 -4.19 7.02 2.85 -0.45 -4.98 115.26 114.40 2hla n ASN 21 Ca 0.07 -0.77 -0.25 0.00 -0.11 0.00 0.00 54.58 53.52 2hla n ASN 21 Cb 0.54 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.41 2hla n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2hla s PHE 22 N -6.91 1.64 -0.24 1.20 0.08 -1.26 -1.21 117.98 111.29 2hla s PHE 22 Ca 0.00 -0.32 -0.10 0.00 0.12 0.00 0.00 56.93 56.63 2hla s PHE 22 Cb 0.00 -1.05 -0.05 0.00 -0.57 0.00 0.00 43.02 41.36 2hla s PHE 22 CO 0.00 -0.01 0.13 -1.17 -0.10 0.00 0.00 175.22 174.07 2hla s LEU 23 N -0.55 3.94 -0.09 -0.37 2.96 0.17 -1.85 118.68 122.89 2hla s LEU 23 Ca 0.07 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 2hla s LEU 23 Cb -0.07 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 2hla s LEU 23 CO -0.00 0.05 -0.08 0.20 -1.32 0.00 0.00 176.35 175.19 2hla s ASN 24 N 1.16 4.52 -0.24 3.68 0.01 -0.10 -2.24 114.94 121.73 2hla s ASN 24 Ca 0.06 -0.10 0.02 0.00 -0.71 0.00 0.00 52.86 52.14 2hla s ASN 24 Cb -0.14 -1.28 0.05 0.00 0.41 0.00 0.00 41.25 40.29 2hla s ASN 24 CO 0.05 0.30 -0.12 0.00 -1.51 0.00 0.00 177.10 175.82 2hla s TYR 26 N 1.19 3.19 -0.03 0.00 5.04 0.24 -1.65 117.35 125.34 2hla s TYR 26 Ca -0.05 -0.02 0.06 0.00 -2.44 0.00 0.00 57.07 54.62 2hla s TYR 26 Cb -0.18 -2.32 -0.02 0.00 0.35 0.00 0.00 41.96 39.78 2hla s TYR 26 CO -0.07 -0.19 -0.20 0.08 -1.34 0.00 0.00 175.55 173.84 2hla s VAL 27 N 1.62 2.61 0.18 3.14 1.01 -0.47 -1.92 120.40 126.57 2hla s VAL 27 Ca 0.07 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 2hla s VAL 27 Cb -0.15 -1.99 0.06 0.00 0.00 0.00 0.00 36.38 34.29 2hla s VAL 27 CO 0.08 0.56 0.92 -0.94 0.00 0.00 0.00 175.10 175.72 2hla s SER 28 N -0.76 -0.19 0.00 3.32 1.04 -1.17 -0.15 113.70 115.80 2hla s SER 28 Ca 0.11 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2hla s SER 28 Cb -0.10 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2hla s SER 28 CO 0.00 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.84 2hla n GLY 29 N -0.47 1.07 3.95 7.32 0.00 -0.77 -0.92 105.19 115.37 2hla n GLY 29 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 2hla n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2hla s PHE 30 N -3.38 3.11 -0.30 1.61 -0.71 -1.23 -4.33 117.98 112.75 2hla s PHE 30 Ca 0.00 0.26 -0.18 0.00 -1.04 0.00 0.00 56.93 55.97 2hla s PHE 30 Cb 0.00 -2.58 0.19 0.00 -1.21 0.00 0.00 43.02 39.42 2hla s PHE 30 CO 0.00 -0.66 1.20 -1.58 -1.34 0.00 0.00 175.22 172.84 2hla s HIS 31 N -2.74 -0.25 1.00 3.49 2.46 -1.06 -0.68 115.29 117.51 2hla s HIS 31 Ca 0.53 0.43 -0.14 0.00 0.47 0.00 0.00 55.06 56.35 2hla s HIS 31 Cb -0.10 0.15 0.08 0.00 -0.13 0.00 0.00 32.58 32.58 2hla s HIS 31 CO 0.40 -0.12 0.46 -2.30 -2.47 0.00 0.00 174.74 170.70 2hla n PRO 32 N 4.64 -0.72 0.12 2.88 -0.02 -1.26 -0.81 135.00 139.83 2hla n PRO 32 Ca -0.07 -0.17 -0.02 0.00 -2.02 0.00 0.00 63.50 61.21 2hla n PRO 32 Cb 0.55 -1.91 0.09 0.00 -0.02 0.00 0.00 33.50 32.21 2hla n PRO 32 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2hla h SER 33 N -1.78 0.00 -2.55 2.55 4.64 -1.99 -3.44 113.55 110.98 2hla h SER 33 Ca -0.47 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.32 2hla h SER 33 Cb 1.30 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.40 2hla h SER 33 CO 0.37 0.70 1.11 -0.62 -0.87 0.00 0.00 176.83 177.52 2hla s ASP 34 N -6.74 6.55 -0.08 4.97 -1.08 -1.26 -4.95 116.67 114.08 2hla s ASP 34 Ca -0.00 2.50 -0.14 0.00 -0.52 0.00 0.00 52.55 54.39 2hla s ASP 34 Cb 0.11 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 39.06 2hla s ASP 34 CO 0.77 -0.96 0.36 -0.51 0.52 0.00 0.00 175.17 175.34 2hla s ILE 35 N 3.63 0.02 -0.17 4.11 2.07 -1.26 -4.66 121.20 124.94 2hla s ILE 35 Ca 0.79 -0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.83 2hla s ILE 35 Cb -0.40 -0.58 0.01 0.00 0.13 0.00 0.00 42.46 41.62 2hla s ILE 35 CO 0.35 -0.11 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.40 2hla s GLU 36 N -0.52 3.10 -0.07 3.50 2.12 -0.05 -4.99 118.70 121.79 2hla s GLU 36 Ca -0.06 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.52 2hla s GLU 36 Cb -0.04 -2.63 0.00 0.00 0.26 0.00 0.00 34.13 31.73 2hla s GLU 36 CO 0.02 -0.13 -0.18 0.08 -0.54 0.00 0.00 175.26 174.52 2hla s VAL 37 N 1.14 1.55 -0.00 3.70 1.01 -1.26 -0.05 120.40 126.49 2hla s VAL 37 Ca 0.01 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2hla s VAL 37 Cb -0.14 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 2hla s VAL 37 CO -0.07 0.45 -0.05 -1.81 0.00 0.00 0.00 175.10 173.62 2hla s ASP 38 N 0.40 0.55 -0.23 3.32 1.11 0.97 -4.97 116.67 117.82 2hla s ASP 38 Ca -0.14 -0.08 -0.13 0.00 0.18 0.00 0.00 52.55 52.38 2hla s ASP 38 Cb -0.16 -0.07 -0.04 0.00 1.07 0.00 0.00 42.92 43.72 2hla s ASP 38 CO 0.05 0.05 0.29 -0.76 1.18 0.00 0.00 175.17 175.99 2hla s LEU 39 N -0.08 4.11 -0.27 1.23 1.43 -1.26 -0.62 118.68 123.22 2hla s LEU 39 Ca 0.01 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.30 2hla s LEU 39 Cb -0.02 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 2hla s LEU 39 CO -0.00 -0.04 0.18 -0.76 0.23 0.00 0.00 176.35 175.97 2hla s LEU 40 N 1.35 4.05 -0.21 1.79 1.43 0.17 -1.82 118.68 125.44 2hla s LEU 40 Ca 0.13 0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 53.13 2hla s LEU 40 Cb -0.14 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 2hla s LEU 40 CO 0.07 -0.01 0.28 -0.75 0.23 0.00 0.00 176.35 176.17 2hla s LYS 41 N 1.54 4.14 -1.60 1.70 2.20 0.97 -1.45 119.74 127.24 2hla s LYS 41 Ca 0.07 -0.01 -0.18 0.00 -0.36 0.00 0.00 55.97 55.49 2hla s LYS 41 Cb -0.15 -3.52 0.17 0.00 -1.51 0.00 0.00 37.83 32.81 2hla s LYS 41 CO 0.09 0.04 0.63 0.09 -0.36 0.00 0.00 175.35 175.84 2hla n ASN 42 N 4.29 -2.72 0.00 1.43 3.02 0.87 -0.67 115.26 121.47 2hla n ASN 42 Ca -0.12 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 2hla n ASN 42 Cb 0.52 -2.28 0.00 0.00 -0.61 0.00 0.00 39.78 37.41 2hla n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hla n GLY 43 N -1.18 2.91 3.88 7.41 0.00 -1.26 -5.01 105.19 111.93 2hla n GLY 43 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2hla n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hla s GLU 44 N -0.05 3.76 0.28 1.61 0.41 0.15 -4.92 118.70 119.94 2hla s GLU 44 Ca 0.00 0.25 -0.29 0.00 -0.41 0.00 0.00 54.97 54.52 2hla s GLU 44 Cb 0.00 -2.59 -0.09 0.00 -1.78 0.00 0.00 34.13 29.67 2hla s GLU 44 CO 0.00 0.21 1.04 1.03 -0.49 0.00 0.00 175.26 177.05 2hla s ARG 45 N -3.24 4.67 -0.25 1.61 0.52 -1.26 -0.02 118.95 120.98 2hla s ARG 45 Ca 0.47 1.66 -0.16 0.00 -0.52 0.00 0.00 55.73 57.19 2hla s ARG 45 Cb -0.11 -3.15 -0.03 0.00 0.52 0.00 0.00 34.95 32.18 2hla s ARG 45 CO 0.25 0.28 0.41 0.42 0.02 0.00 0.00 175.30 176.69 2hla s ILE 46 N -1.23 5.15 0.41 1.52 1.01 -0.75 -4.85 121.20 122.45 2hla s ILE 46 Ca 0.45 0.68 0.07 0.00 0.00 0.00 0.00 60.65 61.84 2hla s ILE 46 Cb -0.29 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.45 2hla s ILE 46 CO 0.36 0.16 0.56 -0.70 0.00 0.00 0.00 174.94 175.33 2hla s GLU 47 N 1.96 2.91 -0.78 2.79 2.56 -1.26 -4.55 118.70 122.32 2hla s GLU 47 Ca 0.17 -1.09 -0.03 0.00 0.00 0.00 0.00 54.97 54.02 2hla s GLU 47 Cb -0.15 -2.75 -0.03 0.00 2.00 0.00 0.00 34.13 33.19 2hla s GLU 47 CO 0.09 -0.20 0.71 1.17 -0.56 0.00 0.00 175.26 176.47 2hla n LYS 48 N -1.84 -1.58 -4.18 4.30 4.81 -1.26 -5.08 118.16 113.34 2hla n LYS 48 Ca 0.05 1.02 -0.18 0.00 -0.87 0.00 0.00 58.31 58.32 2hla n LYS 48 Cb 0.59 -5.20 -0.16 0.00 0.02 0.00 0.00 35.03 30.29 2hla n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2hla s VAL 49 N -3.19 0.50 0.27 3.15 1.01 -1.26 -4.81 120.40 116.07 2hla s VAL 49 Ca 0.22 -0.17 0.11 0.00 0.00 0.00 0.00 61.98 62.13 2hla s VAL 49 Cb -0.03 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 2hla s VAL 49 CO 0.64 0.18 -0.09 -1.61 0.00 0.00 0.00 175.10 174.22 2hla s GLU 50 N 0.46 2.02 0.42 2.72 8.01 -0.04 -4.90 118.70 127.39 2hla s GLU 50 Ca -0.06 -1.56 0.06 0.00 0.01 0.00 0.00 54.97 53.42 2hla s GLU 50 Cb -0.09 -1.99 -0.07 0.00 -4.31 0.00 0.00 34.13 27.66 2hla s GLU 50 CO -0.00 0.35 0.01 -3.38 0.01 0.00 0.00 175.26 172.26 2hla s HIS 51 N -2.37 2.38 0.40 1.61 -3.43 -1.26 -0.16 115.29 112.46 2hla s HIS 51 Ca 0.30 -0.74 -0.05 0.00 -0.80 0.00 0.00 55.06 53.78 2hla s HIS 51 Cb -0.06 -1.72 0.09 0.00 -1.43 0.00 0.00 32.58 29.46 2hla s HIS 51 CO 0.18 0.38 0.54 -1.13 -2.00 0.00 0.00 174.74 172.71 2hla n SER 52 N -1.00 0.22 -4.76 7.38 3.41 0.64 -4.94 113.62 114.57 2hla n SER 52 Ca -0.07 -1.30 -0.40 0.00 -0.26 0.00 0.00 58.87 56.84 2hla n SER 52 Cb 0.67 -0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 2hla n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2hla s ASP 53 N -3.04 7.49 -0.23 4.04 1.11 -1.26 -4.76 116.67 120.03 2hla s ASP 53 Ca 0.32 1.76 -0.29 0.00 0.18 0.00 0.00 52.55 54.52 2hla s ASP 53 Cb -0.01 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 2hla s ASP 53 CO 0.22 0.16 1.73 -0.22 1.18 0.00 0.00 175.17 178.24 2hla s LEU 54 N -1.01 3.81 0.50 1.23 2.96 -1.26 -4.88 118.68 120.03 2hla s LEU 54 Ca 0.39 1.64 0.01 0.00 -0.22 0.00 0.00 54.13 55.95 2hla s LEU 54 Cb -0.24 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 2hla s LEU 54 CO 0.29 -1.40 0.03 -0.44 -1.32 0.00 0.00 176.35 173.51 2hla s SER 55 N 5.00 3.88 0.02 3.68 0.01 -1.24 -5.03 113.70 120.02 2hla s SER 55 Ca 0.77 -1.71 0.02 0.00 1.31 0.00 0.00 55.95 56.34 2hla s SER 55 Cb -0.26 0.66 -0.02 0.00 0.21 0.00 0.00 66.02 66.61 2hla s SER 55 CO 0.32 -0.94 -0.06 0.72 0.41 0.00 0.00 173.24 173.69 2hla s PHE 56 N -2.97 0.54 0.22 2.43 -0.71 -1.26 -2.28 117.98 113.95 2hla s PHE 56 Ca 0.06 -0.33 -0.04 0.00 -1.04 0.00 0.00 56.93 55.58 2hla s PHE 56 Cb 0.00 -0.33 0.05 0.00 -1.21 0.00 0.00 43.02 41.54 2hla s PHE 56 CO 0.04 -0.06 0.23 0.43 -1.34 0.00 0.00 175.22 174.51 2hla n SER 57 N 2.07 -0.73 0.33 1.98 7.64 0.12 -4.87 113.62 120.16 2hla n SER 57 Ca -0.19 -0.81 0.21 0.00 1.01 0.00 0.00 58.87 59.09 2hla n SER 57 Cb 0.56 -0.19 1.12 0.00 -1.01 0.00 0.00 64.21 64.69 2hla n SER 57 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2hla h LYS 58 N 0.00 0.00 -0.54 1.43 5.09 -2.02 0.03 116.57 120.56 2hla h LYS 58 Ca -0.08 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.51 2hla h LYS 58 Cb 0.24 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 32.48 2hla h LYS 58 CO 0.05 0.01 0.14 -0.40 -2.09 0.00 0.00 179.45 177.16 2hla n ASP 59 N -3.20 4.15 0.00 7.07 5.68 -1.26 -4.91 116.55 124.08 2hla n ASP 59 Ca -0.03 -3.27 0.00 0.00 -0.50 0.00 0.00 54.79 50.99 2hla n ASP 59 Cb 0.10 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 2hla n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2hla n TRP 60 N -0.44 0.00 -2.30 2.11 7.02 -0.00 -4.96 117.44 118.88 2hla n TRP 60 Ca 0.34 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.43 2hla n TRP 60 Cb 1.19 -1.16 -0.03 0.00 -2.42 0.00 0.00 31.31 28.90 2hla n TRP 60 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2hla s SER 61 N -2.20 6.73 0.44 -0.99 0.01 -1.26 -4.79 113.70 111.64 2hla s SER 61 Ca 0.00 2.39 -0.08 0.00 1.31 0.00 0.00 55.95 59.58 2hla s SER 61 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 2hla s SER 61 CO 0.00 -0.54 0.77 -0.36 0.41 0.00 0.00 173.24 173.52 2hla s PHE 62 N -1.32 3.52 0.08 2.43 0.08 0.14 0.14 117.98 123.05 2hla s PHE 62 Ca 0.53 0.92 -0.01 0.00 0.12 0.00 0.00 56.93 58.48 2hla s PHE 62 Cb -0.32 -2.36 -0.04 0.00 -0.57 0.00 0.00 43.02 39.72 2hla s PHE 62 CO 0.42 -0.18 0.00 1.52 -0.10 0.00 0.00 175.22 176.88 2hla s TYR 63 N -2.55 0.63 0.04 0.36 1.13 -0.97 -1.84 117.35 114.16 2hla s TYR 63 Ca 0.49 -1.12 -0.27 0.00 -1.41 0.00 0.00 57.07 54.76 2hla s TYR 63 Cb -0.10 -0.42 0.07 0.00 -1.10 0.00 0.00 41.96 40.41 2hla s TYR 63 CO 0.38 -0.43 0.62 -0.51 -2.51 0.00 0.00 175.55 173.10 2hla s LEU 64 N -2.96 -0.52 -0.02 -3.49 1.43 0.79 -3.70 118.68 110.20 2hla s LEU 64 Ca 0.13 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.62 2hla s LEU 64 Cb 0.08 2.48 0.00 0.00 0.03 0.00 0.00 46.19 48.78 2hla s LEU 64 CO -0.06 -0.75 -0.06 -0.22 0.23 0.00 0.00 176.35 175.49 2hla s LEU 65 N -1.85 1.76 -0.03 1.79 2.96 -1.26 -1.37 118.68 120.68 2hla s LEU 65 Ca -0.06 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 2hla s LEU 65 Cb -0.00 -0.41 -0.01 0.00 0.50 0.00 0.00 46.19 46.27 2hla s LEU 65 CO 0.00 0.04 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.60 2hla s TYR 66 N 0.23 1.51 -0.10 5.38 2.02 -0.66 -0.26 117.35 125.46 2hla s TYR 66 Ca -0.03 -0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 56.08 2hla s TYR 66 Cb -0.07 -1.01 0.05 0.00 -0.40 0.00 0.00 41.96 40.53 2hla s TYR 66 CO -0.00 -0.11 0.50 1.52 -1.57 0.00 0.00 175.55 175.89 2hla s TYR 67 N -0.07 -0.48 0.29 2.71 1.13 0.78 -0.04 117.35 121.68 2hla s TYR 67 Ca -0.00 0.98 0.03 0.00 -1.41 0.00 0.00 57.07 56.66 2hla s TYR 67 Cb -0.09 0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 40.95 2hla s TYR 67 CO 0.01 -0.41 0.15 -0.08 -2.51 0.00 0.00 175.55 172.71 2hla s THR 68 N -0.63 0.37 -0.08 -3.49 -1.32 -0.95 -0.86 115.64 108.69 2hla s THR 68 Ca -0.07 -2.00 -0.12 0.00 -1.21 0.00 0.00 61.69 58.29 2hla s THR 68 Cb -0.03 -2.53 -0.05 0.00 -1.51 0.00 0.00 72.50 68.38 2hla s THR 68 CO 0.04 0.00 0.30 -0.70 -2.21 0.00 0.00 174.62 172.05 2hla s GLU 69 N -3.87 3.85 0.06 7.08 2.12 -1.26 -0.65 118.70 126.03 2hla s GLU 69 Ca 0.36 0.17 -0.06 0.00 0.36 0.00 0.00 54.97 55.79 2hla s GLU 69 Cb 0.06 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 2hla s GLU 69 CO 0.17 0.60 0.12 -0.59 -0.54 0.00 0.00 175.26 175.02 2hla s PHE 70 N -0.67 0.22 -0.33 5.30 -0.71 -0.35 -4.82 117.98 116.61 2hla s PHE 70 Ca 0.19 -0.60 0.00 0.00 -1.04 0.00 0.00 56.93 55.49 2hla s PHE 70 Cb -0.14 -0.14 0.08 0.00 -1.21 0.00 0.00 43.02 41.61 2hla s PHE 70 CO 0.08 -0.44 0.05 0.99 -1.34 0.00 0.00 175.22 174.56 2hla s THR 71 N -3.27 2.77 0.99 -4.49 2.01 -1.26 -1.34 115.64 111.04 2hla s THR 71 Ca 0.01 -1.85 -0.15 0.00 0.31 0.00 0.00 61.69 60.01 2hla s THR 71 Cb 0.03 -2.79 -0.00 0.00 0.01 0.00 0.00 72.50 69.74 2hla s THR 71 CO -0.08 -0.38 0.01 -2.65 -0.69 0.00 0.00 174.62 170.84 2hla n PRO 72 N 4.49 -0.42 -3.89 4.92 -0.02 -1.21 -4.64 135.00 134.23 2hla n PRO 72 Ca -0.06 -0.10 -0.09 0.00 -2.02 0.00 0.00 63.50 61.23 2hla n PRO 72 Cb 0.42 -1.62 -0.01 0.00 -0.02 0.00 0.00 33.50 32.27 2hla n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2hla s THR 73 N -2.27 0.00 -0.68 3.45 -4.23 -1.26 -0.55 115.64 110.10 2hla s THR 73 Ca 0.52 -1.14 0.24 0.00 -1.18 0.00 0.00 61.69 60.13 2hla s THR 73 Cb -0.18 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 2hla s THR 73 CO 0.70 0.00 1.21 -1.84 -0.54 0.00 0.00 174.62 174.16 2hla n GLU 74 N -0.49 0.25 -0.05 3.99 0.28 -1.26 -4.44 120.64 118.92 2hla n GLU 74 Ca -0.05 0.04 -0.16 0.00 -0.16 0.00 0.00 57.16 56.84 2hla n GLU 74 Cb 0.60 -1.62 -0.14 0.00 1.43 0.00 0.00 31.44 31.71 2hla n GLU 74 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2hla n LYS 75 N -1.97 0.69 -2.72 3.44 4.76 -1.26 -4.93 118.16 116.17 2hla n LYS 75 Ca 0.03 0.20 -0.35 0.00 -2.87 0.00 0.00 58.31 55.32 2hla n LYS 75 Cb 0.42 -1.65 -0.06 0.00 -1.84 0.00 0.00 35.03 31.90 2hla n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2hla s ASP 76 N -6.43 6.89 -0.00 4.39 1.01 -1.26 -5.07 116.67 116.20 2hla s ASP 76 Ca -0.19 1.82 0.01 0.00 0.71 0.00 0.00 52.55 54.90 2hla s ASP 76 Cb 0.07 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 2hla s ASP 76 CO 0.75 -0.39 0.02 -0.70 0.21 0.00 0.00 175.17 175.06 2hla s GLU 77 N -2.83 2.84 0.03 8.23 2.12 -1.26 -4.82 118.70 123.01 2hla s GLU 77 Ca 0.60 -0.59 0.04 0.00 0.36 0.00 0.00 54.97 55.38 2hla s GLU 77 Cb -0.15 -2.71 -0.02 0.00 0.26 0.00 0.00 34.13 31.52 2hla s GLU 77 CO 0.19 0.63 -0.13 0.71 -0.54 0.00 0.00 175.26 176.12 2hla s TYR 78 N -1.11 1.13 0.35 5.30 2.02 -1.26 -0.09 117.35 123.69 2hla s TYR 78 Ca 0.20 -0.34 -0.17 0.00 -0.37 0.00 0.00 57.07 56.39 2hla s TYR 78 Cb -0.12 -0.68 0.04 0.00 -0.40 0.00 0.00 41.96 40.81 2hla s TYR 78 CO 0.11 0.02 0.77 0.00 -1.57 0.00 0.00 175.55 174.87 2hla s ALA 79 N -0.81 -0.87 0.07 3.71 0.00 -0.53 -0.69 121.76 122.65 2hla s ALA 79 Ca 0.01 -0.63 0.09 0.00 0.00 0.00 0.00 51.96 51.43 2hla s ALA 79 Cb -0.07 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 2hla s ALA 79 CO 0.01 -1.00 -0.25 0.00 0.00 0.00 0.00 175.76 174.52 2hla s ARG 81 N -1.52 2.00 -0.06 0.00 3.52 0.21 -0.43 118.95 122.67 2hla s ARG 81 Ca 0.13 -0.54 0.05 0.00 -0.13 0.00 0.00 55.73 55.24 2hla s ARG 81 Cb -0.10 -2.05 -0.02 0.00 -1.56 0.00 0.00 34.95 31.23 2hla s ARG 81 CO 0.04 -0.30 -0.21 0.08 -0.81 0.00 0.00 175.30 174.10 2hla s VAL 82 N 1.53 2.47 0.01 7.11 1.01 -0.39 -0.02 120.40 132.11 2hla s VAL 82 Ca 0.03 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.11 2hla s VAL 82 Cb -0.14 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 2hla s VAL 82 CO -0.09 0.57 -0.07 0.21 0.00 0.00 0.00 175.10 175.72 2hla s ASN 83 N -0.33 0.82 0.12 3.32 3.84 0.93 -1.88 114.94 121.76 2hla s ASN 83 Ca 0.02 -0.21 -0.23 0.00 0.21 0.00 0.00 52.86 52.65 2hla s ASN 83 Cb -0.13 -0.06 0.06 0.00 -0.55 0.00 0.00 41.25 40.57 2hla s ASN 83 CO 0.02 0.03 0.58 -2.28 -2.79 0.00 0.00 177.10 172.66 2hla s HIS 84 N -0.41 -0.50 0.35 0.43 5.65 -1.26 -0.87 115.29 118.68 2hla s HIS 84 Ca 0.00 0.40 0.16 0.00 0.25 0.00 0.00 55.06 55.87 2hla s HIS 84 Cb -0.04 0.48 1.19 0.00 -1.18 0.00 0.00 32.58 33.03 2hla s HIS 84 CO -0.00 -0.78 1.59 -0.24 -0.65 0.00 0.00 174.74 174.67 2hla h VAL 85 N 2.26 0.06 0.00 0.89 3.04 -1.96 -2.33 116.25 118.21 2hla h VAL 85 Ca -0.33 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 2hla h VAL 85 Cb 1.27 -0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2hla h VAL 85 CO 0.40 0.01 0.00 0.35 -1.01 0.00 0.00 177.57 177.32 2hla n THR 86 N -5.26 0.09 -4.64 3.17 -2.24 -1.26 -4.73 114.28 99.41 2hla n THR 86 Ca 0.34 0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.81 2hla n THR 86 Cb 1.14 -0.57 -0.13 0.00 -2.10 0.00 0.00 70.33 68.66 2hla n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2hla s LEU 87 N -2.41 2.97 0.22 3.22 1.43 -0.88 -4.95 118.68 118.28 2hla s LEU 87 Ca 0.31 -0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.30 2hla s LEU 87 Cb 0.19 -1.67 0.15 0.00 0.03 0.00 0.00 46.19 44.88 2hla s LEU 87 CO 0.39 0.22 1.49 0.28 0.23 0.00 0.00 176.35 178.96 2hla h SER 88 N 6.34 0.00 -3.34 2.29 0.02 -1.87 -3.43 113.55 113.56 2hla h SER 88 Ca -0.33 -0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.31 2hla h SER 88 Cb 1.19 -0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.38 2hla h SER 88 CO 0.57 0.75 -0.69 -1.58 -1.14 0.00 0.00 176.83 174.74 2hla s GLN 89 N -3.29 -0.02 0.23 3.45 0.74 -1.26 -5.14 119.66 114.37 2hla s GLN 89 Ca -0.00 0.36 -0.30 0.00 0.05 0.00 0.00 55.36 55.46 2hla s GLN 89 Cb 0.12 -0.33 -0.15 0.00 1.10 0.00 0.00 33.01 33.74 2hla s GLN 89 CO 0.78 -0.25 1.04 -0.35 -0.55 0.00 0.00 175.29 175.96 2hla n PRO 90 N 4.81 1.13 -2.86 1.67 -0.04 -1.26 -4.96 135.00 133.48 2hla n PRO 90 Ca -0.14 0.40 -0.40 0.00 -0.04 0.00 0.00 63.50 63.31 2hla n PRO 90 Cb 0.50 -1.79 -0.05 0.00 -0.04 0.00 0.00 33.50 32.11 2hla n PRO 90 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2hla s LYS 91 N -0.95 4.64 -0.13 0.54 1.02 -0.79 -4.88 119.74 119.20 2hla s LYS 91 Ca 0.66 1.28 -0.01 0.00 0.02 0.00 0.00 55.97 57.92 2hla s LYS 91 Cb -0.80 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.17 2hla s LYS 91 CO 0.56 0.38 -0.10 0.42 -0.92 0.00 0.00 175.35 175.69 2hla s ILE 92 N -0.53 3.31 -0.16 2.17 1.01 -1.26 -1.26 121.20 124.48 2hla s ILE 92 Ca 0.41 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 2hla s ILE 92 Cb -0.23 -2.41 0.04 0.00 0.01 0.00 0.00 42.46 39.88 2hla s ILE 92 CO 0.27 0.52 -0.04 -0.69 0.00 0.00 0.00 174.94 175.01 2hla s VAL 93 N 0.29 0.99 0.04 2.92 1.01 0.43 -4.93 120.40 121.15 2hla s VAL 93 Ca -0.08 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 2hla s VAL 93 Cb -0.15 -1.20 -0.06 0.00 0.00 0.00 0.00 36.38 34.97 2hla s VAL 93 CO 0.05 0.10 0.72 -1.59 0.00 0.00 0.00 175.10 174.37 2hla s LYS 94 N 1.68 4.44 -0.39 2.72 -2.85 -1.26 0.05 119.74 124.13 2hla s LYS 94 Ca 0.01 0.97 -0.28 0.00 -1.00 0.00 0.00 55.97 55.67 2hla s LYS 94 Cb -0.15 -3.35 -0.03 0.00 -2.06 0.00 0.00 37.83 32.23 2hla s LYS 94 CO -0.07 0.32 1.98 -0.46 0.10 0.00 0.00 175.35 177.21 2hla s TRP 95 N -0.14 1.55 -0.22 1.78 -0.00 0.14 -4.93 118.94 117.11 2hla s TRP 95 Ca 0.36 0.78 -0.10 0.00 -0.00 0.00 0.00 56.10 57.14 2hla s TRP 95 Cb -0.20 -4.00 -0.05 0.00 -0.00 0.00 0.00 33.47 29.22 2hla s TRP 95 CO 0.21 -2.96 0.14 0.34 -0.00 0.00 0.00 176.95 174.68 2hla s ASP 96 N 7.79 6.08 0.57 5.86 2.15 -1.26 -4.73 116.67 133.13 2hla s ASP 96 Ca 0.84 0.15 0.28 0.00 0.43 0.00 0.00 52.55 54.24 2hla s ASP 96 Cb -0.22 -2.08 1.48 0.00 -0.30 0.00 0.00 42.92 41.80 2hla s ASP 96 CO 0.30 0.12 1.95 -0.09 -0.17 0.00 0.00 175.17 177.28 2hla h ARG 97 N 7.13 0.00 -0.76 4.34 2.43 -1.97 -3.05 114.38 122.50 2hla h ARG 97 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 2hla h ARG 97 Cb 1.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2hla h ARG 97 CO 0.70 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.91 2hla n ASP 98 N -3.98 3.56 0.00 -3.80 8.00 -1.26 -4.81 116.55 114.26 2hla n ASP 98 Ca 0.09 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 53.10 2hla n ASP 98 Cb 0.65 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2hla n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04