#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6z s GLN 2 N 0.00 2.51 -0.05 9.51 -0.21 -1.26 -4.68 119.66 125.48 1a6z s GLN 2 Ca 0.00 -0.73 0.02 0.00 0.02 0.00 0.00 55.36 54.67 1a6z s GLN 2 Cb 0.00 -2.47 0.01 0.00 1.00 0.00 0.00 33.01 31.55 1a6z s GLN 2 CO 0.00 0.60 -0.10 1.03 -2.12 0.00 0.00 175.29 174.70 1a6z s ARG 3 N -1.32 1.31 0.35 2.91 3.00 0.04 -4.91 118.95 120.32 1a6z s ARG 3 Ca 0.16 -0.34 -0.25 0.00 0.00 0.00 0.00 55.73 55.30 1a6z s ARG 3 Cb -0.11 -1.15 -0.10 0.00 0.00 0.00 0.00 34.95 33.59 1a6z s ARG 3 CO 0.06 0.06 0.95 -0.08 0.00 0.00 0.00 175.30 176.29 1a6z s THR 4 N 0.48 4.23 0.48 0.02 -1.32 -1.26 -1.48 115.64 116.78 1a6z s THR 4 Ca -0.09 1.73 -0.22 0.00 -1.21 0.00 0.00 61.69 61.89 1a6z s THR 4 Cb -0.13 -3.90 -0.07 0.00 -1.51 0.00 0.00 72.50 66.89 1a6z s THR 4 CO 0.02 0.03 1.18 -2.16 -2.21 0.00 0.00 174.62 171.48 1a6z s PRO 5 N -2.33 3.66 -0.08 7.08 0.04 -1.26 -4.29 135.00 137.81 1a6z s PRO 5 Ca 0.53 1.80 -0.10 0.00 0.04 0.00 0.00 61.00 63.28 1a6z s PRO 5 Cb -0.17 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 1a6z s PRO 5 CO 0.21 -0.64 0.24 0.21 0.04 0.00 0.00 177.00 177.06 1a6z s LYS 6 N -2.77 3.61 -0.10 4.56 2.20 0.41 -4.91 119.74 122.74 1a6z s LYS 6 Ca 0.65 0.06 0.02 0.00 -0.36 0.00 0.00 55.97 56.35 1a6z s LYS 6 Cb -0.29 -3.20 0.01 0.00 -1.51 0.00 0.00 37.83 32.84 1a6z s LYS 6 CO 0.35 0.75 -0.17 0.42 -0.36 0.00 0.00 175.35 176.34 1a6z s ILE 7 N -1.05 1.61 -0.06 5.43 1.01 -1.26 -1.92 121.20 124.96 1a6z s ILE 7 Ca 0.18 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.11 1a6z s ILE 7 Cb -0.14 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 40.91 1a6z s ILE 7 CO 0.07 0.46 -0.05 -1.10 0.00 0.00 0.00 174.94 174.32 1a6z s GLN 8 N 0.75 1.03 -0.09 2.79 -0.21 -0.81 -4.98 119.66 118.12 1a6z s GLN 8 Ca -0.11 -0.13 0.02 0.00 0.02 0.00 0.00 55.36 55.16 1a6z s GLN 8 Cb -0.16 -1.07 -0.01 0.00 1.00 0.00 0.00 33.01 32.77 1a6z s GLN 8 CO 0.02 -0.14 -0.17 0.14 -2.12 0.00 0.00 175.29 173.02 1a6z s VAL 9 N 1.21 2.73 0.29 1.09 -7.23 -1.26 -0.42 120.40 116.82 1a6z s VAL 9 Ca -0.06 -0.80 -0.17 0.00 -1.81 0.00 0.00 61.98 59.14 1a6z s VAL 9 Cb -0.14 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.73 1a6z s VAL 9 CO -0.02 0.55 0.66 -0.72 -0.31 0.00 0.00 175.10 175.26 1a6z s TYR 10 N 0.01 0.07 0.20 2.82 1.13 -0.24 -4.66 117.35 116.68 1a6z s TYR 10 Ca -0.06 -0.53 0.06 0.00 -1.41 0.00 0.00 57.07 55.13 1a6z s TYR 10 Cb -0.15 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 1a6z s TYR 10 CO 0.05 -1.23 0.17 -1.54 -2.51 0.00 0.00 175.55 170.49 1a6z s SER 11 N -2.99 5.59 0.07 -0.18 1.04 -1.21 0.10 113.70 116.13 1a6z s SER 11 Ca 0.16 -0.15 -0.24 0.00 0.48 0.00 0.00 55.95 56.20 1a6z s SER 11 Cb -0.04 -1.47 -0.16 0.00 0.10 0.00 0.00 66.02 64.45 1a6z s SER 11 CO 0.09 0.03 1.64 -0.09 0.98 0.00 0.00 173.24 175.89 1a6z h ARG 12 N 2.04 -0.02 -5.69 4.02 9.65 -1.56 -3.45 114.38 119.37 1a6z h ARG 12 Ca -0.48 0.00 -0.51 0.00 -1.10 0.00 0.00 59.98 57.89 1a6z h ARG 12 Cb 1.21 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.66 1a6z h ARG 12 CO 0.63 0.09 -0.71 -1.01 2.80 0.00 0.00 179.97 181.76 1a6z s HIS 13 N -5.79 1.97 0.24 2.20 3.76 -1.26 -5.03 115.29 111.38 1a6z s HIS 13 Ca -0.14 -0.57 -0.31 0.00 -0.15 0.00 0.00 55.06 53.89 1a6z s HIS 13 Cb 0.05 -1.01 -0.12 0.00 1.11 0.00 0.00 32.58 32.61 1a6z s HIS 13 CO 0.66 0.41 1.61 -2.30 -0.85 0.00 0.00 174.74 174.27 1a6z n PRO 14 N -0.54 2.54 -1.88 8.40 -0.02 -1.26 -4.86 135.00 137.38 1a6z n PRO 14 Ca -0.06 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 1a6z n PRO 14 Cb 0.62 -2.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1a6z n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a6z s ALA 15 N 0.51 3.77 -0.21 3.55 0.00 -1.26 -5.00 121.76 123.12 1a6z s ALA 15 Ca 0.70 1.36 -0.02 0.00 0.00 0.00 0.00 51.96 54.01 1a6z s ALA 15 Cb -0.55 -3.67 0.06 0.00 0.00 0.00 0.00 23.12 18.96 1a6z s ALA 15 CO 0.42 -0.94 0.01 -1.21 0.00 0.00 0.00 175.76 174.04 1a6z s GLU 16 N 1.75 0.96 0.14 0.00 2.02 -1.26 -5.09 118.70 117.20 1a6z s GLU 16 Ca 0.73 -0.62 -0.33 0.00 0.02 0.00 0.00 54.97 54.77 1a6z s GLU 16 Cb -0.44 -2.26 -0.17 0.00 0.10 0.00 0.00 34.13 31.36 1a6z s GLU 16 CO 0.32 -0.64 0.87 0.09 0.02 0.00 0.00 175.26 175.92 1a6z n ASN 17 N 4.93 -0.11 0.00 -0.19 3.02 -1.26 -0.32 115.26 121.32 1a6z n ASN 17 Ca -0.10 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 1a6z n ASN 17 Cb 0.46 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 1a6z n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a6z n GLY 18 N 1.81 2.93 3.75 7.41 0.00 -0.37 -4.98 105.19 115.73 1a6z n GLY 18 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1a6z n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a6z s LYS 19 N 0.00 4.27 0.52 1.61 3.01 0.56 -4.94 119.74 124.77 1a6z s LYS 19 Ca 0.00 0.51 -0.23 0.00 -1.01 0.00 0.00 55.97 55.25 1a6z s LYS 19 Cb 0.00 -3.38 -0.06 0.00 -1.01 0.00 0.00 37.83 33.38 1a6z s LYS 19 CO 0.00 0.28 1.34 0.45 0.51 0.00 0.00 175.35 177.94 1a6z n SER 20 N 3.19 2.70 -0.01 2.83 2.88 -1.26 -4.29 113.62 119.66 1a6z n SER 20 Ca -0.08 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1a6z n SER 20 Cb 0.52 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1a6z n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1a6z n ASN 21 N -0.70 0.00 -3.76 -3.46 2.85 0.81 -4.98 115.26 106.02 1a6z n ASN 21 Ca 0.09 -0.01 -0.13 0.00 -0.11 0.00 0.00 54.58 54.42 1a6z n ASN 21 Cb 0.44 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.32 1a6z n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1a6z s PHE 22 N -2.45 -0.23 -0.23 1.20 0.08 -1.26 -1.65 117.98 113.43 1a6z s PHE 22 Ca 0.00 0.60 -0.10 0.00 0.12 0.00 0.00 56.93 57.55 1a6z s PHE 22 Cb 0.00 0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.41 1a6z s PHE 22 CO 0.00 -0.17 0.14 -1.17 -0.10 0.00 0.00 175.22 173.92 1a6z s LEU 23 N 0.90 4.03 0.05 -0.37 2.96 0.19 -1.32 118.68 125.11 1a6z s LEU 23 Ca -0.07 0.09 0.09 0.00 -0.22 0.00 0.00 54.13 54.03 1a6z s LEU 23 Cb -0.08 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1a6z s LEU 23 CO -0.05 0.08 -0.24 0.20 -1.32 0.00 0.00 176.35 175.02 1a6z s ASN 24 N 0.94 3.35 -0.20 3.68 0.01 0.12 -1.59 114.94 121.24 1a6z s ASN 24 Ca 0.07 -0.55 -0.02 0.00 -0.71 0.00 0.00 52.86 51.65 1a6z s ASN 24 Cb -0.13 -0.37 0.06 0.00 0.41 0.00 0.00 41.25 41.21 1a6z s ASN 24 CO 0.03 0.26 0.00 0.00 -1.51 0.00 0.00 177.10 175.88 1a6z s TYR 26 N 1.72 3.20 -0.11 0.00 5.04 0.44 -0.59 117.35 127.05 1a6z s TYR 26 Ca -0.02 -0.69 -0.04 0.00 -2.44 0.00 0.00 57.07 53.88 1a6z s TYR 26 Cb -0.17 -2.38 -0.04 0.00 0.35 0.00 0.00 41.96 39.72 1a6z s TYR 26 CO -0.07 -0.52 0.04 0.14 -1.34 0.00 0.00 175.55 173.80 1a6z s VAL 27 N 1.59 4.64 0.32 3.14 -7.23 -0.20 -1.93 120.40 120.73 1a6z s VAL 27 Ca 0.04 -0.12 -0.17 0.00 -1.81 0.00 0.00 61.98 59.93 1a6z s VAL 27 Cb -0.18 -2.99 0.03 0.00 0.56 0.00 0.00 36.38 33.80 1a6z s VAL 27 CO 0.06 0.59 0.70 -0.94 -0.31 0.00 0.00 175.10 175.20 1a6z s SER 28 N -0.70 -0.04 -1.52 4.85 1.04 -0.81 -0.58 113.70 115.94 1a6z s SER 28 Ca 0.12 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1a6z s SER 28 Cb -0.12 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1a6z s SER 28 CO 0.02 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.40 1a6z n GLY 29 N -0.49 1.46 3.84 7.32 0.00 -0.59 -0.44 105.19 116.29 1a6z n GLY 29 Ca -0.05 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 1a6z n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a6z s PHE 30 N -2.45 3.13 -0.29 1.61 -0.71 -1.18 -4.42 117.98 113.67 1a6z s PHE 30 Ca 0.00 -0.11 -0.19 0.00 -1.04 0.00 0.00 56.93 55.59 1a6z s PHE 30 Cb 0.00 -1.44 0.13 0.00 -1.21 0.00 0.00 43.02 40.50 1a6z s PHE 30 CO 0.00 0.49 0.96 -1.58 -1.34 0.00 0.00 175.22 173.75 1a6z s HIS 31 N -2.13 -0.59 1.14 3.49 2.46 -0.55 -0.72 115.29 118.39 1a6z s HIS 31 Ca 0.33 1.25 -0.19 0.00 0.47 0.00 0.00 55.06 56.93 1a6z s HIS 31 Cb -0.08 0.38 0.29 0.00 -0.13 0.00 0.00 32.58 33.04 1a6z s HIS 31 CO 0.25 -0.29 0.89 -0.35 -2.47 0.00 0.00 174.74 172.78 1a6z n PRO 32 N 3.32 -3.39 0.20 2.88 -0.04 -1.26 -0.78 135.00 135.94 1a6z n PRO 32 Ca -0.17 -1.45 0.13 0.00 -0.04 0.00 0.00 63.50 61.97 1a6z n PRO 32 Cb 0.57 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.82 1a6z n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1a6z h SER 33 N -2.79 0.00 -2.22 3.54 4.64 -1.98 -3.44 113.55 111.29 1a6z h SER 33 Ca -0.35 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.39 1a6z h SER 33 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1a6z h SER 33 CO 0.23 0.00 1.40 -1.81 -0.87 0.00 0.00 176.83 175.78 1a6z s ASP 34 N -5.78 5.70 0.00 4.97 1.01 -1.26 -4.91 116.67 116.41 1a6z s ASP 34 Ca 0.07 1.84 -0.09 0.00 0.71 0.00 0.00 52.55 55.09 1a6z s ASP 34 Cb 0.07 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.49 1a6z s ASP 34 CO 0.63 -1.77 0.17 -0.51 0.21 0.00 0.00 175.17 173.90 1a6z s ILE 35 N 7.42 0.08 -0.10 0.77 2.07 -1.26 -4.49 121.20 125.69 1a6z s ILE 35 Ca 0.93 -0.69 0.01 0.00 -1.41 0.00 0.00 60.65 59.49 1a6z s ILE 35 Cb -0.31 -0.51 0.02 0.00 0.13 0.00 0.00 42.46 41.78 1a6z s ILE 35 CO 0.35 -0.38 -0.11 -1.83 -1.91 0.00 0.00 174.94 171.06 1a6z s GLU 36 N -1.51 1.77 -0.06 3.50 -1.05 -0.85 -5.03 118.70 115.47 1a6z s GLU 36 Ca -0.14 -0.38 0.05 0.00 -0.15 0.00 0.00 54.97 54.35 1a6z s GLU 36 Cb -0.07 -1.63 -0.01 0.00 -0.44 0.00 0.00 34.13 31.99 1a6z s GLU 36 CO 0.01 -0.14 -0.22 0.08 0.95 0.00 0.00 175.26 175.94 1a6z s VAL 37 N 1.24 1.83 0.00 1.83 1.01 -1.26 -1.70 120.40 123.36 1a6z s VAL 37 Ca -0.03 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.05 1a6z s VAL 37 Cb -0.14 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1a6z s VAL 37 CO -0.04 0.51 -0.13 -1.81 0.00 0.00 0.00 175.10 173.64 1a6z s ASP 38 N -0.04 1.54 -0.18 3.32 1.01 0.16 -4.98 116.67 117.50 1a6z s ASP 38 Ca -0.05 -0.28 -0.09 0.00 0.71 0.00 0.00 52.55 52.84 1a6z s ASP 38 Cb -0.13 -0.15 -0.05 0.00 1.01 0.00 0.00 42.92 43.59 1a6z s ASP 38 CO 0.04 0.13 0.13 -0.76 0.21 0.00 0.00 175.17 174.91 1a6z s LEU 39 N -0.48 4.21 -0.06 1.23 1.43 -1.26 0.30 118.68 124.04 1a6z s LEU 39 Ca 0.04 0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 1a6z s LEU 39 Cb -0.06 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1a6z s LEU 39 CO -0.00 0.23 -0.09 -0.76 0.23 0.00 0.00 176.35 175.96 1a6z s LEU 40 N 0.08 3.06 -0.57 1.79 1.02 0.16 -0.40 118.68 123.81 1a6z s LEU 40 Ca 0.09 -0.06 0.04 0.00 0.02 0.00 0.00 54.13 54.22 1a6z s LEU 40 Cb -0.11 -1.66 0.14 0.00 0.02 0.00 0.00 46.19 44.58 1a6z s LEU 40 CO -0.01 0.36 0.33 -0.75 0.02 0.00 0.00 176.35 176.30 1a6z s LYS 41 N -0.79 2.08 -0.64 1.70 2.20 -0.39 -1.44 119.74 122.45 1a6z s LYS 41 Ca 0.12 -2.81 -0.03 0.00 -0.36 0.00 0.00 55.97 52.89 1a6z s LYS 41 Cb -0.11 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1a6z s LYS 41 CO 0.01 -1.17 0.56 0.09 -0.36 0.00 0.00 175.35 174.48 1a6z n ASN 42 N 2.77 -3.50 0.00 1.43 3.02 0.48 -2.90 115.26 116.56 1a6z n ASN 42 Ca 0.10 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1a6z n ASN 42 Cb 0.33 -2.75 0.00 0.00 -0.61 0.00 0.00 39.78 36.75 1a6z n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a6z n GLY 43 N -1.19 2.90 3.63 7.41 0.00 -1.26 -4.99 105.19 111.70 1a6z n GLY 43 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1a6z n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a6z s GLU 44 N -0.15 4.02 0.12 1.61 0.41 -1.14 -4.97 118.70 118.59 1a6z s GLU 44 Ca 0.00 1.01 -0.32 0.00 -0.41 0.00 0.00 54.97 55.25 1a6z s GLU 44 Cb 0.00 -3.76 -0.12 0.00 -1.78 0.00 0.00 34.13 28.47 1a6z s GLU 44 CO 0.00 -0.97 1.76 2.89 -0.49 0.00 0.00 175.26 178.45 1a6z n ARG 45 N 7.01 2.53 -2.79 1.61 -4.01 -1.26 -1.26 116.66 118.49 1a6z n ARG 45 Ca 0.12 0.92 -0.40 0.00 -1.04 0.00 0.00 57.85 57.45 1a6z n ARG 45 Cb 0.47 -2.77 -0.06 0.00 -3.04 0.00 0.00 32.46 27.07 1a6z n ARG 45 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 1a6z s ILE 46 N 2.19 4.25 0.42 8.89 1.01 0.46 -4.90 121.20 133.52 1a6z s ILE 46 Ca 0.82 2.00 0.08 0.00 0.00 0.00 0.00 60.65 63.55 1a6z s ILE 46 Cb -0.57 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 37.61 1a6z s ILE 46 CO 0.39 0.45 0.45 -1.61 0.00 0.00 0.00 174.94 174.62 1a6z s GLU 47 N -0.84 2.63 -0.80 2.79 2.02 -1.26 -4.62 118.70 118.62 1a6z s GLU 47 Ca 0.41 -1.44 -0.01 0.00 0.02 0.00 0.00 54.97 53.95 1a6z s GLU 47 Cb -0.25 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1a6z s GLU 47 CO 0.30 -0.24 0.68 1.63 0.02 0.00 0.00 175.26 177.65 1a6z n LYS 48 N -1.67 -4.49 -4.37 1.61 5.02 -1.26 -5.02 118.16 107.98 1a6z n LYS 48 Ca 0.05 0.55 -0.34 0.00 -2.02 0.00 0.00 58.31 56.56 1a6z n LYS 48 Cb 0.61 -4.71 -0.11 0.00 -0.02 0.00 0.00 35.03 30.80 1a6z n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a6z s VAL 49 N -3.23 4.10 0.33 -0.18 1.01 -1.26 -4.83 120.40 116.34 1a6z s VAL 49 Ca 0.06 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1a6z s VAL 49 Cb -0.03 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1a6z s VAL 49 CO 0.48 0.53 0.49 -1.61 0.00 0.00 0.00 175.10 174.99 1a6z s GLU 50 N -0.10 3.31 -0.03 2.72 2.02 0.05 -4.93 118.70 121.74 1a6z s GLU 50 Ca 0.03 -0.66 -0.10 0.00 0.02 0.00 0.00 54.97 54.27 1a6z s GLU 50 Cb -0.13 -2.75 0.01 0.00 0.10 0.00 0.00 34.13 31.36 1a6z s GLU 50 CO 0.02 0.14 0.21 -3.38 0.02 0.00 0.00 175.26 172.27 1a6z s HIS 51 N -2.22 -0.10 0.25 1.61 -3.43 -1.26 -0.30 115.29 109.84 1a6z s HIS 51 Ca 0.41 0.19 -0.04 0.00 -0.80 0.00 0.00 55.06 54.81 1a6z s HIS 51 Cb -0.09 0.03 0.06 0.00 -1.43 0.00 0.00 32.58 31.15 1a6z s HIS 51 CO 0.33 -0.27 0.25 -1.13 -2.00 0.00 0.00 174.74 171.92 1a6z n SER 52 N 1.83 -0.88 -4.84 7.38 3.41 0.74 -4.98 113.62 116.29 1a6z n SER 52 Ca -0.20 -0.77 -0.37 0.00 -0.26 0.00 0.00 58.87 57.27 1a6z n SER 52 Cb 0.56 -0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 1a6z n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1a6z s ASP 53 N -2.12 6.86 0.25 4.04 1.01 -1.26 -4.73 116.67 120.73 1a6z s ASP 53 Ca 0.16 1.06 -0.31 0.00 0.71 0.00 0.00 52.55 54.16 1a6z s ASP 53 Cb -0.01 -2.28 -0.12 0.00 1.01 0.00 0.00 42.92 41.52 1a6z s ASP 53 CO 0.12 0.22 1.62 -0.11 0.21 0.00 0.00 175.17 177.23 1a6z n LEU 54 N 1.34 4.04 0.00 1.23 7.94 -1.26 -4.81 117.00 125.48 1a6z n LEU 54 Ca -0.09 1.11 -0.16 0.00 -1.11 0.00 0.00 56.01 55.76 1a6z n LEU 54 Cb 0.52 -1.56 -0.05 0.00 0.53 0.00 0.00 43.42 42.85 1a6z n LEU 54 CO 0.41 0.08 0.02 -0.24 -1.11 0.00 0.00 177.39 176.55 1a6z n SER 55 N 2.87 -0.92 -3.78 1.96 2.88 -1.04 -5.02 113.62 110.58 1a6z n SER 55 Ca 0.12 -2.88 -0.10 0.00 -1.33 0.00 0.00 58.87 54.68 1a6z n SER 55 Cb 0.35 1.89 -0.07 0.00 -0.75 0.00 0.00 64.21 65.63 1a6z n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1a6z s PHE 56 N -3.16 -0.01 0.56 0.66 -0.12 -1.26 -1.07 117.98 113.57 1a6z s PHE 56 Ca 0.32 -0.28 0.07 0.00 -0.05 0.00 0.00 56.93 56.99 1a6z s PHE 56 Cb 0.01 0.06 0.10 0.00 -0.63 0.00 0.00 43.02 42.55 1a6z s PHE 56 CO 0.23 -0.55 0.77 0.43 -0.05 0.00 0.00 175.22 176.05 1a6z n SER 57 N 0.19 1.82 -0.31 1.98 7.64 0.52 -4.94 113.62 120.51 1a6z n SER 57 Ca -0.17 -2.35 0.16 0.00 1.01 0.00 0.00 58.87 57.53 1a6z n SER 57 Cb 0.61 -0.43 0.35 0.00 -1.01 0.00 0.00 64.21 63.74 1a6z n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1a6z h LYS 58 N 0.00 0.29 -0.31 1.43 3.64 -2.03 0.30 116.57 119.90 1a6z h LYS 58 Ca -0.26 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1a6z h LYS 58 Cb 1.14 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1a6z h LYS 58 CO 0.35 0.19 0.00 -0.40 -2.27 0.00 0.00 179.45 177.32 1a6z n ASP 59 N -5.12 0.31 0.00 4.20 5.68 -1.26 -4.84 116.55 115.52 1a6z n ASP 59 Ca 0.25 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 1a6z n ASP 59 Cb 0.76 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 1a6z n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1a6z n TRP 60 N -0.34 0.00 -2.19 2.11 7.02 0.11 -5.00 117.44 119.14 1a6z n TRP 60 Ca 0.00 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.15 1a6z n TRP 60 Cb 0.08 -0.59 -0.00 0.00 -2.42 0.00 0.00 31.31 28.38 1a6z n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1a6z s SER 61 N -2.60 5.99 0.21 -0.99 1.04 -1.26 -4.71 113.70 111.39 1a6z s SER 61 Ca 0.00 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.25 1a6z s SER 61 Cb 0.00 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 1a6z s SER 61 CO 0.00 -1.03 0.39 -0.36 0.98 0.00 0.00 173.24 173.23 1a6z s PHE 62 N -2.36 3.48 -0.07 5.02 0.08 0.10 -0.36 117.98 123.88 1a6z s PHE 62 Ca 0.64 0.29 -0.06 0.00 0.12 0.00 0.00 56.93 57.92 1a6z s PHE 62 Cb -0.16 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.50 1a6z s PHE 62 CO 0.32 0.37 0.18 1.52 -0.10 0.00 0.00 175.22 177.51 1a6z s TYR 63 N -1.91 -0.20 0.00 0.36 -0.85 -0.23 -1.54 117.35 112.97 1a6z s TYR 63 Ca 0.38 0.49 0.00 0.00 -0.52 0.00 0.00 57.07 57.42 1a6z s TYR 63 Cb -0.11 0.05 -0.00 0.00 0.38 0.00 0.00 41.96 42.28 1a6z s TYR 63 CO 0.30 -0.11 -0.00 -1.17 -1.52 0.00 0.00 175.55 173.04 1a6z s LEU 64 N 0.28 2.02 -0.10 -3.49 2.96 0.26 -2.50 118.68 118.11 1a6z s LEU 64 Ca -0.02 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1a6z s LEU 64 Cb -0.03 0.01 -0.02 0.00 0.50 0.00 0.00 46.19 46.65 1a6z s LEU 64 CO -0.01 -0.03 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.67 1a6z s LEU 65 N -0.13 2.91 -0.09 -0.68 2.96 -1.26 -1.03 118.68 121.36 1a6z s LEU 65 Ca -0.01 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1a6z s LEU 65 Cb -0.01 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 45.04 1a6z s LEU 65 CO -0.00 0.25 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.74 1a6z s TYR 66 N -0.13 2.43 -0.01 5.38 1.51 0.24 -0.19 117.35 126.58 1a6z s TYR 66 Ca 0.00 -0.96 -0.16 0.00 -1.01 0.00 0.00 57.07 54.94 1a6z s TYR 66 Cb -0.13 -1.63 0.03 0.00 -0.11 0.00 0.00 41.96 40.11 1a6z s TYR 66 CO 0.03 -0.38 0.35 1.52 -1.11 0.00 0.00 175.55 175.96 1a6z s TYR 67 N 0.31 -0.22 0.00 2.71 1.13 0.59 0.12 117.35 121.99 1a6z s TYR 67 Ca -0.17 0.32 -0.01 0.00 -1.41 0.00 0.00 57.07 55.80 1a6z s TYR 67 Cb -0.17 0.13 -0.01 0.00 -1.10 0.00 0.00 41.96 40.81 1a6z s TYR 67 CO 0.08 -0.43 0.02 0.99 -2.51 0.00 0.00 175.55 173.70 1a6z s THR 68 N -1.45 0.06 0.38 -3.49 2.01 -0.62 -0.77 115.64 111.75 1a6z s THR 68 Ca -0.12 -0.46 -0.24 0.00 0.31 0.00 0.00 61.69 61.17 1a6z s THR 68 Cb -0.04 -0.18 -0.09 0.00 0.01 0.00 0.00 72.50 72.19 1a6z s THR 68 CO 0.04 -0.25 1.03 -0.70 -0.69 0.00 0.00 174.62 174.04 1a6z s GLU 69 N -0.76 4.27 -0.11 4.92 2.12 -1.26 -0.64 118.70 127.23 1a6z s GLU 69 Ca -0.08 1.47 -0.32 0.00 0.36 0.00 0.00 54.97 56.40 1a6z s GLU 69 Cb -0.05 -2.60 0.12 0.00 0.26 0.00 0.00 34.13 31.86 1a6z s GLU 69 CO -0.00 -0.04 1.05 -0.59 -0.54 0.00 0.00 175.26 175.13 1a6z s PHE 70 N -1.65 -0.25 -0.21 5.30 -0.71 -0.66 -4.87 117.98 114.93 1a6z s PHE 70 Ca 0.56 0.20 0.01 0.00 -1.04 0.00 0.00 56.93 56.66 1a6z s PHE 70 Cb -0.21 0.52 0.04 0.00 -1.21 0.00 0.00 43.02 42.16 1a6z s PHE 70 CO 0.27 -0.36 -0.12 0.99 -1.34 0.00 0.00 175.22 174.65 1a6z s THR 71 N -2.52 1.86 0.81 -4.49 2.01 -1.26 -0.13 115.64 111.92 1a6z s THR 71 Ca 0.06 -1.16 -0.12 0.00 0.31 0.00 0.00 61.69 60.79 1a6z s THR 71 Cb -0.01 -1.89 0.08 0.00 0.01 0.00 0.00 72.50 70.69 1a6z s THR 71 CO -0.06 0.19 1.10 -2.16 -0.69 0.00 0.00 174.62 173.00 1a6z s PRO 72 N 1.30 1.96 0.00 4.92 0.04 -1.26 -4.83 135.00 137.13 1a6z s PRO 72 Ca -0.02 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1a6z s PRO 72 Cb -0.17 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1a6z s PRO 72 CO -0.08 -1.69 0.00 0.25 0.04 0.00 0.00 177.00 175.52 1a6z n THR 73 N -3.47 0.00 -0.00 1.26 -2.24 -1.26 -1.24 114.28 107.32 1a6z n THR 73 Ca 0.07 -0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.78 1a6z n THR 73 Cb 0.57 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.67 1a6z n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1a6z h GLU 74 N 0.00 0.00 0.00 -0.78 4.22 -2.00 -3.35 114.58 112.67 1a6z h GLU 74 Ca -0.00 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.32 1a6z h GLU 74 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1a6z h GLU 74 CO 0.00 0.51 -0.56 0.87 -2.18 0.00 0.00 179.01 177.65 1a6z h LYS 75 N 0.00 0.00 -6.62 1.92 6.56 -2.03 -3.46 116.57 112.94 1a6z h LYS 75 Ca -0.24 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 58.83 1a6z h LYS 75 Cb 1.92 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.60 1a6z h LYS 75 CO 0.08 0.56 0.55 -0.51 -2.06 0.00 0.00 179.45 178.07 1a6z s ASP 76 N -6.49 7.10 -0.05 0.86 1.01 -1.26 -5.06 116.67 112.78 1a6z s ASP 76 Ca 0.04 2.16 0.06 0.00 0.71 0.00 0.00 52.55 55.52 1a6z s ASP 76 Cb 0.08 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 1a6z s ASP 76 CO 0.75 -0.38 -0.24 -1.61 0.21 0.00 0.00 175.17 173.90 1a6z s GLU 77 N 0.08 2.44 0.08 8.23 0.41 -1.26 -4.77 118.70 123.91 1a6z s GLU 77 Ca 0.54 -0.87 0.06 0.00 -0.41 0.00 0.00 54.97 54.29 1a6z s GLU 77 Cb -0.32 -2.08 -0.03 0.00 -1.78 0.00 0.00 34.13 29.92 1a6z s GLU 77 CO 0.34 0.38 -0.17 0.71 -0.49 0.00 0.00 175.26 176.03 1a6z s TYR 78 N -0.17 1.46 0.31 1.61 2.02 -1.26 -0.39 117.35 120.94 1a6z s TYR 78 Ca -0.03 -0.44 -0.12 0.00 -0.37 0.00 0.00 57.07 56.10 1a6z s TYR 78 Cb -0.13 -0.81 0.02 0.00 -0.40 0.00 0.00 41.96 40.63 1a6z s TYR 78 CO 0.03 0.12 0.60 0.00 -1.57 0.00 0.00 175.55 174.73 1a6z s ALA 79 N -1.22 -0.29 -0.05 3.71 0.00 -0.52 0.08 121.76 123.46 1a6z s ALA 79 Ca 0.02 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1a6z s ALA 79 Cb -0.10 0.95 -0.00 0.00 0.00 0.00 0.00 23.12 23.97 1a6z s ALA 79 CO 0.03 -0.90 -0.19 0.00 0.00 0.00 0.00 175.76 174.70 1a6z s ARG 81 N 0.09 3.22 -0.05 0.00 3.52 0.15 -0.92 118.95 124.95 1a6z s ARG 81 Ca -0.06 -0.72 0.04 0.00 -0.13 0.00 0.00 55.73 54.87 1a6z s ARG 81 Cb -0.13 -2.80 -0.00 0.00 -1.56 0.00 0.00 34.95 30.46 1a6z s ARG 81 CO 0.03 -0.17 -0.19 0.08 -0.81 0.00 0.00 175.30 174.25 1a6z s VAL 82 N 1.31 1.55 -0.01 7.11 1.01 0.86 -0.66 120.40 131.58 1a6z s VAL 82 Ca 0.04 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1a6z s VAL 82 Cb -0.14 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 1a6z s VAL 82 CO -0.06 0.44 -0.14 0.21 0.00 0.00 0.00 175.10 175.55 1a6z s ASN 83 N 0.06 1.67 0.13 3.32 3.84 -0.69 0.09 114.94 123.36 1a6z s ASN 83 Ca -0.05 -0.27 -0.11 0.00 0.21 0.00 0.00 52.86 52.63 1a6z s ASN 83 Cb -0.12 -0.18 0.01 0.00 -0.55 0.00 0.00 41.25 40.40 1a6z s ASN 83 CO 0.03 0.17 0.29 -2.28 -2.79 0.00 0.00 177.10 172.52 1a6z s HIS 84 N -0.37 0.11 0.55 0.43 5.65 -1.26 -2.00 115.29 118.40 1a6z s HIS 84 Ca 0.05 -0.49 0.22 0.00 0.25 0.00 0.00 55.06 55.09 1a6z s HIS 84 Cb -0.06 0.06 1.48 0.00 -1.18 0.00 0.00 32.58 32.88 1a6z s HIS 84 CO -0.00 -0.66 2.18 -0.39 -0.65 0.00 0.00 174.74 175.22 1a6z h VAL 85 N 2.56 0.81 0.00 0.89 -1.51 -1.95 0.08 116.25 117.12 1a6z h VAL 85 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1a6z h VAL 85 Cb 1.23 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1a6z h VAL 85 CO 0.50 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.19 1a6z n THR 86 N -4.27 0.15 -4.70 7.19 -2.24 -1.26 -4.75 114.28 104.40 1a6z n THR 86 Ca -0.02 0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 1a6z n THR 86 Cb 0.11 -0.61 -0.14 0.00 -2.10 0.00 0.00 70.33 67.59 1a6z n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a6z s LEU 87 N -2.51 2.85 0.05 3.22 1.43 0.01 -4.97 118.68 118.76 1a6z s LEU 87 Ca 0.26 -0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.84 1a6z s LEU 87 Cb 0.17 -1.65 -0.13 0.00 0.03 0.00 0.00 46.19 44.62 1a6z s LEU 87 CO 0.39 0.18 1.39 0.28 0.23 0.00 0.00 176.35 178.82 1a6z h SER 88 N 6.58 -0.91 -2.60 2.29 0.02 -1.85 -3.42 113.55 113.65 1a6z h SER 88 Ca -0.29 0.06 -0.54 0.00 -0.84 0.00 0.00 61.79 60.19 1a6z h SER 88 Cb 1.20 0.28 -0.14 0.00 0.14 0.00 0.00 62.40 63.88 1a6z h SER 88 CO 0.57 -0.51 -0.67 -1.10 -1.14 0.00 0.00 176.83 173.97 1a6z s GLN 89 N -5.01 1.65 0.37 3.45 1.11 -1.26 -5.07 119.66 114.89 1a6z s GLN 89 Ca -0.13 -1.84 -0.26 0.00 0.01 0.00 0.00 55.36 53.13 1a6z s GLN 89 Cb 0.02 -1.33 -0.12 0.00 -1.01 0.00 0.00 33.01 30.58 1a6z s GLN 89 CO 0.42 0.06 1.14 -2.30 0.01 0.00 0.00 175.29 174.62 1a6z n PRO 90 N -0.66 1.68 -4.01 2.91 -0.02 -1.26 -4.91 135.00 128.72 1a6z n PRO 90 Ca -0.05 0.59 -0.35 0.00 -2.02 0.00 0.00 63.50 61.67 1a6z n PRO 90 Cb 0.64 -2.14 -0.07 0.00 -0.02 0.00 0.00 33.50 31.91 1a6z n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1a6z s LYS 91 N -1.91 3.29 -0.11 -0.52 2.20 0.11 -4.90 119.74 117.91 1a6z s LYS 91 Ca 0.59 -0.27 0.03 0.00 -0.36 0.00 0.00 55.97 55.96 1a6z s LYS 91 Cb -0.58 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 32.70 1a6z s LYS 91 CO 0.59 0.73 -0.20 0.42 -0.36 0.00 0.00 175.35 176.53 1a6z s ILE 92 N -1.08 1.84 -0.15 5.43 1.01 -1.26 -0.09 121.20 126.90 1a6z s ILE 92 Ca 0.18 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1a6z s ILE 92 Cb -0.12 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.72 1a6z s ILE 92 CO 0.08 0.51 -0.17 -0.69 0.00 0.00 0.00 174.94 174.67 1a6z s VAL 93 N 0.69 2.53 0.45 2.92 1.01 -0.10 -4.96 120.40 122.94 1a6z s VAL 93 Ca -0.11 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 1a6z s VAL 93 Cb -0.16 -2.06 -0.10 0.00 0.00 0.00 0.00 36.38 34.06 1a6z s VAL 93 CO 0.02 0.52 0.96 -0.54 0.00 0.00 0.00 175.10 176.07 1a6z s LYS 94 N 0.83 4.15 -0.30 2.72 1.02 -1.26 -0.28 119.74 126.61 1a6z s LYS 94 Ca -0.05 1.12 -0.26 0.00 0.02 0.00 0.00 55.97 56.79 1a6z s LYS 94 Cb -0.15 -2.17 0.01 0.00 -0.52 0.00 0.00 37.83 35.00 1a6z s LYS 94 CO -0.01 -0.10 0.92 -0.46 -0.92 0.00 0.00 175.35 174.77 1a6z s TRP 95 N -2.23 3.20 -0.37 3.18 -0.00 0.11 -4.85 118.94 117.98 1a6z s TRP 95 Ca 0.62 1.02 -0.26 0.00 -0.00 0.00 0.00 56.10 57.48 1a6z s TRP 95 Cb -0.10 -3.39 0.02 0.00 -0.00 0.00 0.00 33.47 30.00 1a6z s TRP 95 CO 0.16 -0.63 0.93 0.34 -0.00 0.00 0.00 176.95 177.75 1a6z s ASP 96 N 1.58 6.67 0.66 5.86 -1.08 -1.26 -4.73 116.67 124.37 1a6z s ASP 96 Ca 0.38 0.55 0.23 0.00 -0.52 0.00 0.00 52.55 53.19 1a6z s ASP 96 Cb -0.14 -2.46 1.24 0.00 -1.46 0.00 0.00 42.92 40.10 1a6z s ASP 96 CO 0.13 -0.87 1.70 0.03 0.52 0.00 0.00 175.17 176.67 1a6z h ARG 97 N 8.52 0.00 -0.00 4.34 3.08 -1.97 0.23 114.38 128.57 1a6z h ARG 97 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1a6z h ARG 97 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1a6z h ARG 97 CO 0.98 0.00 -0.03 -0.25 -1.07 0.00 0.00 179.97 179.60 1a6z n ASP 98 N -2.78 0.10 -0.34 7.04 8.00 -1.26 -4.44 116.55 122.88 1a6z n ASP 98 Ca -0.02 -0.17 0.04 0.00 0.71 0.00 0.00 54.79 55.36 1a6z n ASP 98 Cb 0.52 -0.25 0.04 0.00 -0.02 0.00 0.00 41.12 41.41 1a6z n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04