#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h9h n ILE 1 N 0.00 0.30 -3.67 2.02 5.41 -1.26 -5.01 119.36 117.14 3h9h n ILE 1 Ca 0.00 -0.07 -0.21 0.00 1.00 0.00 0.00 62.75 63.47 3h9h n ILE 1 Cb 0.00 -1.62 -0.18 0.00 -0.71 0.00 0.00 39.64 37.13 3h9h n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3h9h s GLN 2 N 0.54 0.01 -0.01 0.38 -0.21 -1.26 -4.33 119.66 114.77 3h9h s GLN 2 Ca 0.75 0.30 0.08 0.00 0.02 0.00 0.00 55.36 56.51 3h9h s GLN 2 Cb -0.63 -0.69 -0.02 0.00 1.00 0.00 0.00 33.01 32.66 3h9h s GLN 2 CO 0.41 -0.36 -0.26 1.03 -2.12 0.00 0.00 175.29 173.98 3h9h s ARG 3 N 2.15 2.04 0.13 2.91 0.52 0.22 -4.92 118.95 122.00 3h9h s ARG 3 Ca 0.05 -0.96 -0.26 0.00 -0.52 0.00 0.00 55.73 54.04 3h9h s ARG 3 Cb -0.12 -2.02 -0.07 0.00 0.52 0.00 0.00 34.95 33.26 3h9h s ARG 3 CO -0.04 0.55 0.82 0.99 0.02 0.00 0.00 175.30 177.64 3h9h s THR 4 N -0.64 4.47 0.23 0.02 2.01 -1.26 -1.83 115.64 118.64 3h9h s THR 4 Ca 0.10 1.77 -0.31 0.00 0.31 0.00 0.00 61.69 63.57 3h9h s THR 4 Cb -0.10 -4.18 -0.10 0.00 0.01 0.00 0.00 72.50 68.13 3h9h s THR 4 CO -0.00 0.44 1.52 -2.16 -0.69 0.00 0.00 174.62 173.73 3h9h s PRO 5 N -0.64 4.21 0.38 4.92 0.04 -1.26 -4.26 135.00 138.39 3h9h s PRO 5 Ca 0.39 2.39 -0.19 0.00 0.04 0.00 0.00 61.00 63.63 3h9h s PRO 5 Cb -0.23 -3.10 -0.10 0.00 0.04 0.00 0.00 34.50 31.11 3h9h s PRO 5 CO 0.26 -0.54 0.86 0.15 0.04 0.00 0.00 177.00 177.78 3h9h s LYS 6 N 0.15 4.15 -0.04 4.56 1.02 0.21 -4.90 119.74 124.89 3h9h s LYS 6 Ca 0.64 0.94 0.00 0.00 0.02 0.00 0.00 55.97 57.58 3h9h s LYS 6 Cb -0.44 -2.31 0.02 0.00 -0.52 0.00 0.00 37.83 34.59 3h9h s LYS 6 CO 0.40 0.06 -0.02 0.42 -0.92 0.00 0.00 175.35 175.29 3h9h s ILE 7 N -2.08 0.35 -0.06 2.17 1.01 -1.26 -2.17 121.20 119.17 3h9h s ILE 7 Ca 0.58 0.02 0.04 0.00 0.00 0.00 0.00 60.65 61.29 3h9h s ILE 7 Cb -0.10 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 41.94 3h9h s ILE 7 CO 0.15 0.20 -0.18 -1.10 0.00 0.00 0.00 174.94 174.01 3h9h s GLN 8 N 1.17 2.09 -0.13 2.79 -0.21 -0.13 -4.98 119.66 120.26 3h9h s GLN 8 Ca -0.07 -0.65 0.01 0.00 0.02 0.00 0.00 55.36 54.67 3h9h s GLN 8 Cb -0.14 -1.73 -0.01 0.00 1.00 0.00 0.00 33.01 32.14 3h9h s GLN 8 CO -0.02 0.20 -0.16 0.08 -2.12 0.00 0.00 175.29 173.27 3h9h s VAL 9 N 0.21 2.74 0.13 1.09 1.01 -1.26 -0.33 120.40 124.01 3h9h s VAL 9 Ca -0.09 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 3h9h s VAL 9 Cb -0.14 -2.13 0.07 0.00 0.00 0.00 0.00 36.38 34.17 3h9h s VAL 9 CO 0.04 0.53 0.98 -0.72 0.00 0.00 0.00 175.10 175.93 3h9h s TYR 10 N 0.46 -0.13 0.16 5.22 1.13 -0.24 -4.57 117.35 119.38 3h9h s TYR 10 Ca -0.11 -0.15 0.03 0.00 -1.41 0.00 0.00 57.07 55.42 3h9h s TYR 10 Cb -0.16 0.63 -0.03 0.00 -1.10 0.00 0.00 41.96 41.29 3h9h s TYR 10 CO 0.05 -0.78 0.27 -1.54 -2.51 0.00 0.00 175.55 171.05 3h9h s SER 11 N -2.92 6.23 0.21 -0.18 1.04 -1.26 -0.36 113.70 116.45 3h9h s SER 11 Ca 0.12 0.12 -0.10 0.00 0.48 0.00 0.00 55.95 56.57 3h9h s SER 11 Cb -0.01 -1.84 0.16 0.00 0.10 0.00 0.00 66.02 64.42 3h9h s SER 11 CO 0.01 0.04 1.87 -0.09 0.98 0.00 0.00 173.24 176.05 3h9h h ARG 12 N 2.06 1.01 -6.45 4.02 2.43 -1.57 -3.44 114.38 112.44 3h9h h ARG 12 Ca -0.49 -0.07 -0.63 0.00 -0.81 0.00 0.00 59.98 57.98 3h9h h ARG 12 Cb 1.20 -0.22 -0.16 0.00 -0.42 0.00 0.00 29.97 30.37 3h9h h ARG 12 CO 0.67 0.68 -0.78 -1.01 -1.51 0.00 0.00 179.97 178.03 3h9h s HIS 13 N -6.08 2.37 0.10 2.20 3.76 -1.26 -5.03 115.29 111.35 3h9h s HIS 13 Ca -0.13 -0.32 -0.36 0.00 -0.15 0.00 0.00 55.06 54.10 3h9h s HIS 13 Cb 0.15 -1.12 -0.17 0.00 1.11 0.00 0.00 32.58 32.55 3h9h s HIS 13 CO 0.78 0.57 1.28 -2.30 -0.85 0.00 0.00 174.74 174.22 3h9h n PRO 14 N -0.09 1.08 -2.26 8.40 -0.02 -1.26 -4.86 135.00 135.99 3h9h n PRO 14 Ca -0.10 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 3h9h n PRO 14 Cb 0.57 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 3h9h n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h9h s ALA 15 N 0.28 3.58 -0.07 3.55 0.00 -1.26 -5.00 121.76 122.83 3h9h s ALA 15 Ca 0.82 0.81 0.02 0.00 0.00 0.00 0.00 51.96 53.61 3h9h s ALA 15 Cb -0.94 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 18.60 3h9h s ALA 15 CO 0.49 -0.93 -0.11 -1.21 0.00 0.00 0.00 175.76 173.99 3h9h s GLU 16 N 2.53 1.66 0.19 0.00 2.02 -1.26 -5.10 118.70 118.73 3h9h s GLU 16 Ca 0.62 -0.38 -0.32 0.00 0.02 0.00 0.00 54.97 54.92 3h9h s GLU 16 Cb -0.30 -1.43 -0.12 0.00 0.10 0.00 0.00 34.13 32.38 3h9h s GLU 16 CO 0.25 -0.03 1.76 -0.80 0.02 0.00 0.00 175.26 176.46 3h9h s ASN 17 N 0.86 6.38 0.00 -0.19 0.01 -1.26 -2.02 114.94 118.72 3h9h s ASN 17 Ca -0.11 2.85 0.00 0.00 -0.71 0.00 0.00 52.86 54.89 3h9h s ASN 17 Cb -0.15 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.92 3h9h s ASN 17 CO 0.01 -0.99 0.00 0.61 -1.51 0.00 0.00 177.10 175.23 3h9h n GLY 18 N 4.06 1.26 3.67 0.66 0.00 0.27 -4.98 105.19 110.13 3h9h n GLY 18 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3h9h n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h9h s LYS 19 N -0.50 3.29 0.50 1.61 1.02 -0.86 -4.97 119.74 119.84 3h9h s LYS 19 Ca 0.00 -0.39 -0.21 0.00 0.02 0.00 0.00 55.97 55.40 3h9h s LYS 19 Cb 0.00 -2.92 -0.07 0.00 -0.52 0.00 0.00 37.83 34.32 3h9h s LYS 19 CO 0.00 0.57 1.11 -1.54 -0.92 0.00 0.00 175.35 174.57 3h9h s SER 20 N -0.51 6.05 0.24 2.83 1.04 -1.26 -4.15 113.70 117.95 3h9h s SER 20 Ca 0.09 2.13 -0.12 0.00 0.48 0.00 0.00 55.95 58.53 3h9h s SER 20 Cb -0.12 -2.58 0.05 0.00 0.10 0.00 0.00 66.02 63.47 3h9h s SER 20 CO 0.02 -0.99 0.63 -3.20 0.98 0.00 0.00 173.24 170.68 3h9h n ASN 21 N -0.95 -1.57 -4.13 7.02 2.85 0.23 -4.99 115.26 113.73 3h9h n ASN 21 Ca 0.10 -2.02 -0.24 0.00 -0.11 0.00 0.00 54.58 52.30 3h9h n ASN 21 Cb 0.51 2.59 -0.16 0.00 1.24 0.00 0.00 39.78 43.96 3h9h n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3h9h s PHE 22 N -3.77 1.51 -0.18 1.20 0.40 -1.26 -1.44 117.98 114.45 3h9h s PHE 22 Ca 0.13 -0.36 -0.14 0.00 -0.60 0.00 0.00 56.93 55.96 3h9h s PHE 22 Cb -0.03 -1.00 -0.05 0.00 0.51 0.00 0.00 43.02 42.45 3h9h s PHE 22 CO 0.07 -0.09 0.29 -1.17 0.70 0.00 0.00 175.22 175.03 3h9h s LEU 23 N -0.15 4.21 -0.05 -0.37 2.96 0.65 -1.27 118.68 124.66 3h9h s LEU 23 Ca 0.01 0.46 0.04 0.00 -0.22 0.00 0.00 54.13 54.43 3h9h s LEU 23 Cb -0.09 -2.36 -0.02 0.00 0.50 0.00 0.00 46.19 44.22 3h9h s LEU 23 CO 0.01 0.07 -0.18 0.20 -1.32 0.00 0.00 176.35 175.12 3h9h s ASN 24 N 0.63 3.69 -0.23 3.68 0.01 0.51 -1.87 114.94 121.35 3h9h s ASN 24 Ca 0.16 -0.31 0.01 0.00 -0.71 0.00 0.00 52.86 52.01 3h9h s ASN 24 Cb -0.13 -0.83 0.06 0.00 0.41 0.00 0.00 41.25 40.75 3h9h s ASN 24 CO 0.04 0.30 -0.08 0.00 -1.51 0.00 0.00 177.10 175.86 3h9h s TYR 26 N 1.31 3.19 -0.16 0.00 5.04 0.56 -0.35 117.35 126.94 3h9h s TYR 26 Ca -0.06 -0.07 -0.03 0.00 -2.44 0.00 0.00 57.07 54.48 3h9h s TYR 26 Cb -0.19 -2.37 -0.02 0.00 0.35 0.00 0.00 41.96 39.74 3h9h s TYR 26 CO -0.06 -0.24 -0.05 0.14 -1.34 0.00 0.00 175.55 173.99 3h9h s VAL 27 N 1.72 3.69 0.18 3.14 -7.23 -0.30 -0.95 120.40 120.65 3h9h s VAL 27 Ca 0.07 -0.42 -0.09 0.00 -1.81 0.00 0.00 61.98 59.73 3h9h s VAL 27 Cb -0.16 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 3h9h s VAL 27 CO 0.09 0.49 0.30 -0.94 -0.31 0.00 0.00 175.10 174.73 3h9h s SER 28 N 0.49 0.04 -0.24 4.85 1.04 -0.92 -0.88 113.70 118.08 3h9h s SER 28 Ca -0.04 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.44 3h9h s SER 28 Cb -0.15 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3h9h s SER 28 CO 0.03 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.93 3h9h n GLY 29 N -0.25 0.54 3.91 7.32 0.00 0.12 -0.62 105.19 116.21 3h9h n GLY 29 Ca -0.05 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 3h9h n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h9h s PHE 30 N -1.92 3.32 -0.28 1.61 -0.71 -1.13 -4.20 117.98 114.67 3h9h s PHE 30 Ca 0.00 -0.04 -0.22 0.00 -1.04 0.00 0.00 56.93 55.63 3h9h s PHE 30 Cb 0.00 -1.52 0.10 0.00 -1.21 0.00 0.00 43.02 40.39 3h9h s PHE 30 CO 0.00 0.48 0.87 -1.58 -1.34 0.00 0.00 175.22 173.65 3h9h s HIS 31 N -1.99 -0.69 0.26 3.49 2.46 -0.76 -0.39 115.29 117.67 3h9h s HIS 31 Ca 0.33 1.56 -0.04 0.00 0.47 0.00 0.00 55.06 57.38 3h9h s HIS 31 Cb -0.09 0.38 0.06 0.00 -0.13 0.00 0.00 32.58 32.80 3h9h s HIS 31 CO 0.27 -0.33 0.23 -0.35 -2.47 0.00 0.00 174.74 172.09 3h9h n PRO 32 N 2.94 -1.47 0.04 2.88 -0.04 -1.26 -0.61 135.00 137.49 3h9h n PRO 32 Ca -0.15 -0.37 0.12 0.00 -0.04 0.00 0.00 63.50 63.06 3h9h n PRO 32 Cb 0.56 -0.35 0.14 0.00 -0.04 0.00 0.00 33.50 33.82 3h9h n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3h9h n SER 33 N -3.40 0.65 -4.67 3.54 3.41 -1.26 -4.82 113.62 107.07 3h9h n SER 33 Ca 0.03 -0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.21 3h9h n SER 33 Cb 0.12 0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 3h9h n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3h9h s ASP 34 N -4.00 6.59 -0.00 4.04 1.11 -1.26 -4.98 116.67 118.18 3h9h s ASP 34 Ca 0.06 2.42 -0.15 0.00 0.18 0.00 0.00 52.55 55.07 3h9h s ASP 34 Cb 0.14 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.61 3h9h s ASP 34 CO 0.74 -0.95 0.31 -0.51 1.18 0.00 0.00 175.17 175.94 3h9h s ILE 35 N 3.73 0.06 -0.07 0.77 2.07 -1.26 -4.62 121.20 121.87 3h9h s ILE 35 Ca 0.77 -0.51 0.05 0.00 -1.41 0.00 0.00 60.65 59.55 3h9h s ILE 35 Cb -0.38 -0.68 -0.00 0.00 0.13 0.00 0.00 42.46 41.53 3h9h s ILE 35 CO 0.33 -0.28 -0.22 -1.61 -1.91 0.00 0.00 174.94 171.25 3h9h s GLU 36 N -1.56 2.53 -0.04 3.50 2.02 -0.75 -5.00 118.70 119.40 3h9h s GLU 36 Ca -0.12 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.07 3h9h s GLU 36 Cb -0.04 -2.03 0.03 0.00 0.10 0.00 0.00 34.13 32.18 3h9h s GLU 36 CO 0.03 0.24 0.02 0.08 0.02 0.00 0.00 175.26 175.65 3h9h s VAL 37 N 0.16 0.11 0.02 2.63 1.01 -1.26 -1.00 120.40 122.07 3h9h s VAL 37 Ca -0.11 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.13 3h9h s VAL 37 Cb -0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 3h9h s VAL 37 CO 0.06 0.17 -0.20 -1.81 0.00 0.00 0.00 175.10 173.31 3h9h s ASP 38 N 1.47 2.37 -0.01 3.32 1.01 -0.20 -4.99 116.67 119.65 3h9h s ASP 38 Ca -0.04 -0.46 -0.11 0.00 0.71 0.00 0.00 52.55 52.65 3h9h s ASP 38 Cb -0.13 -0.22 -0.05 0.00 1.01 0.00 0.00 42.92 43.53 3h9h s ASP 38 CO -0.03 0.18 0.33 -0.76 0.21 0.00 0.00 175.17 175.10 3h9h s LEU 39 N -0.94 4.41 -0.02 1.23 1.43 -1.26 -0.82 118.68 122.70 3h9h s LEU 39 Ca 0.07 0.75 0.08 0.00 -1.03 0.00 0.00 54.13 54.00 3h9h s LEU 39 Cb -0.08 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 3h9h s LEU 39 CO 0.01 0.30 -0.25 -0.76 0.23 0.00 0.00 176.35 175.88 3h9h s LEU 40 N -1.37 2.05 -0.20 1.79 1.43 -0.01 -0.70 118.68 121.67 3h9h s LEU 40 Ca 0.25 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3h9h s LEU 40 Cb -0.14 -1.28 0.03 0.00 0.03 0.00 0.00 46.19 44.82 3h9h s LEU 40 CO 0.13 0.30 -0.17 -0.75 0.23 0.00 0.00 176.35 176.09 3h9h s LYS 41 N -0.55 2.86 -1.44 1.70 2.20 -0.08 -2.10 119.74 122.33 3h9h s LYS 41 Ca 0.09 -0.92 -0.03 0.00 -0.36 0.00 0.00 55.97 54.74 3h9h s LYS 41 Cb -0.10 -2.66 0.00 0.00 -1.51 0.00 0.00 37.83 33.57 3h9h s LYS 41 CO -0.01 -0.28 0.29 0.09 -0.36 0.00 0.00 175.35 175.08 3h9h n ASN 42 N 4.59 -0.29 0.00 1.43 3.02 0.10 -1.55 115.26 122.57 3h9h n ASN 42 Ca -0.19 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 3h9h n ASN 42 Cb 0.48 -2.41 0.00 0.00 -0.61 0.00 0.00 39.78 37.24 3h9h n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h9h n GLY 43 N -2.21 2.75 3.73 7.41 0.00 -1.26 -5.01 105.19 110.59 3h9h n GLY 43 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 3h9h n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h9h s GLU 44 N -0.00 3.03 -0.02 1.61 2.02 -0.59 -5.01 118.70 119.74 3h9h s GLU 44 Ca 0.00 -0.41 -0.30 0.00 0.02 0.00 0.00 54.97 54.28 3h9h s GLU 44 Cb 0.00 -2.84 -0.06 0.00 0.10 0.00 0.00 34.13 31.33 3h9h s GLU 44 CO 0.00 0.69 1.60 0.50 0.02 0.00 0.00 175.26 178.08 3h9h s ARG 45 N -1.14 4.20 -0.09 1.61 3.52 -1.26 -0.90 118.95 124.89 3h9h s ARG 45 Ca 0.16 2.17 -0.30 0.00 -0.13 0.00 0.00 55.73 57.64 3h9h s ARG 45 Cb -0.12 -3.82 -0.03 0.00 -1.56 0.00 0.00 34.95 29.42 3h9h s ARG 45 CO 0.06 -0.77 1.25 0.42 -0.81 0.00 0.00 175.30 175.45 3h9h s ILE 46 N 3.43 4.20 0.11 4.11 1.01 0.12 -4.91 121.20 129.27 3h9h s ILE 46 Ca 0.72 1.50 -0.10 0.00 0.00 0.00 0.00 60.65 62.76 3h9h s ILE 46 Cb -0.34 -3.97 -0.16 0.00 0.01 0.00 0.00 42.46 38.00 3h9h s ILE 46 CO 0.29 -0.05 1.31 -0.33 0.00 0.00 0.00 174.94 176.16 3h9h h GLU 47 N 7.82 0.69 -4.54 2.79 5.08 -1.93 -3.39 114.58 121.10 3h9h h GLU 47 Ca -0.32 -0.60 -0.74 0.00 -1.00 0.00 0.00 59.36 56.70 3h9h h GLU 47 Cb 1.14 0.14 -0.17 0.00 0.50 0.00 0.00 28.75 30.36 3h9h h GLU 47 CO 0.92 1.21 1.54 1.17 -1.00 0.00 0.00 179.01 182.85 3h9h n LYS 48 N -3.89 3.41 -5.23 2.33 4.81 -1.26 -4.97 118.16 113.36 3h9h n LYS 48 Ca -0.07 -3.76 -0.31 0.00 -0.87 0.00 0.00 58.31 53.30 3h9h n LYS 48 Cb 0.77 -3.04 -0.17 0.00 0.02 0.00 0.00 35.03 32.62 3h9h n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3h9h s VAL 49 N 1.44 2.01 0.34 3.15 1.01 -1.26 -4.67 120.40 122.42 3h9h s VAL 49 Ca 0.43 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.46 3h9h s VAL 49 Cb 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3h9h s VAL 49 CO 0.01 0.56 0.15 -1.61 0.00 0.00 0.00 175.10 174.21 3h9h s GLU 50 N -0.02 2.41 0.07 2.72 2.02 -0.11 -4.93 118.70 120.86 3h9h s GLU 50 Ca -0.07 -1.52 -0.02 0.00 0.02 0.00 0.00 54.97 53.37 3h9h s GLU 50 Cb -0.15 -2.20 -0.04 0.00 0.10 0.00 0.00 34.13 31.84 3h9h s GLU 50 CO 0.05 0.11 0.02 -3.38 0.02 0.00 0.00 175.26 172.08 3h9h s HIS 51 N -2.41 0.56 0.92 1.61 -3.43 -1.26 -1.08 115.29 110.19 3h9h s HIS 51 Ca 0.38 -1.06 -0.12 0.00 -0.80 0.00 0.00 55.06 53.46 3h9h s HIS 51 Cb -0.03 -0.37 0.14 0.00 -1.43 0.00 0.00 32.58 30.89 3h9h s HIS 51 CO 0.23 -0.43 1.13 -1.54 -2.00 0.00 0.00 174.74 172.12 3h9h s SER 52 N -2.95 3.45 0.13 7.38 1.04 -0.30 -4.99 113.70 117.47 3h9h s SER 52 Ca 0.11 1.03 -0.30 0.00 0.48 0.00 0.00 55.95 57.27 3h9h s SER 52 Cb 0.07 -1.63 -0.07 0.00 0.10 0.00 0.00 66.02 64.50 3h9h s SER 52 CO -0.07 -2.60 1.06 -1.81 0.98 0.00 0.00 173.24 170.80 3h9h s ASP 53 N -3.93 7.32 0.04 7.02 1.01 -1.26 -4.74 116.67 122.14 3h9h s ASP 53 Ca 0.64 1.97 -0.35 0.00 0.71 0.00 0.00 52.55 55.51 3h9h s ASP 53 Cb -0.15 -2.59 -0.14 0.00 1.01 0.00 0.00 42.92 41.04 3h9h s ASP 53 CO 0.54 -0.20 1.58 -0.11 0.21 0.00 0.00 175.17 177.19 3h9h n LEU 54 N 2.76 2.66 -4.21 1.23 7.94 -1.26 -4.93 117.00 121.19 3h9h n LEU 54 Ca 0.03 1.07 -0.17 0.00 -1.11 0.00 0.00 56.01 55.84 3h9h n LEU 54 Cb 0.47 -1.32 -0.07 0.00 0.53 0.00 0.00 43.42 43.04 3h9h n LEU 54 CO 0.53 -0.48 -0.04 -0.55 -1.11 0.00 0.00 177.39 175.74 3h9h s SER 55 N 1.67 1.27 0.19 1.96 0.15 -1.21 -5.05 113.70 112.68 3h9h s SER 55 Ca 0.85 -1.63 -0.10 0.00 0.70 0.00 0.00 55.95 55.77 3h9h s SER 55 Cb -0.81 0.57 -0.00 0.00 -1.71 0.00 0.00 66.02 64.07 3h9h s SER 55 CO 0.46 -1.11 0.35 0.72 1.20 0.00 0.00 173.24 174.86 3h9h s PHE 56 N -3.41 0.37 0.71 3.44 -0.12 -1.26 -2.01 117.98 115.70 3h9h s PHE 56 Ca 0.37 -0.72 0.01 0.00 -0.05 0.00 0.00 56.93 56.54 3h9h s PHE 56 Cb 0.02 0.03 0.13 0.00 -0.63 0.00 0.00 43.02 42.56 3h9h s PHE 56 CO 0.24 -0.80 0.97 -1.12 -0.05 0.00 0.00 175.22 174.46 3h9h s SER 57 N -2.98 4.42 0.40 1.98 0.01 0.29 -4.92 113.70 112.91 3h9h s SER 57 Ca 0.18 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 57.03 3h9h s SER 57 Cb 0.02 0.10 0.81 0.00 0.21 0.00 0.00 66.02 67.17 3h9h s SER 57 CO 0.02 -1.82 2.04 0.11 0.41 0.00 0.00 173.24 174.01 3h9h h LYS 58 N -0.44 0.58 -0.14 12.44 1.57 -2.02 0.58 116.57 129.13 3h9h h LYS 58 Ca -0.35 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3h9h h LYS 58 Cb 1.27 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3h9h h LYS 58 CO 0.39 0.40 0.00 -0.40 -0.57 0.00 0.00 179.45 179.27 3h9h n ASP 59 N -4.46 0.30 0.00 0.86 5.68 -1.26 -4.88 116.55 112.79 3h9h n ASP 59 Ca 0.04 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 3h9h n ASP 59 Cb 0.06 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 3h9h n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3h9h n TRP 60 N -0.35 0.00 -2.66 2.11 7.02 0.19 -5.02 117.44 118.73 3h9h n TRP 60 Ca 0.01 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.11 3h9h n TRP 60 Cb 0.06 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.90 3h9h n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3h9h s SER 61 N -3.52 7.20 0.53 -0.99 1.04 -1.26 -4.62 113.70 112.08 3h9h s SER 61 Ca 0.00 1.98 -0.09 0.00 0.48 0.00 0.00 55.95 58.32 3h9h s SER 61 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 3h9h s SER 61 CO 0.00 -0.17 0.89 -0.36 0.98 0.00 0.00 173.24 174.58 3h9h s PHE 62 N -1.50 3.57 -0.02 5.02 0.08 0.48 -0.54 117.98 125.07 3h9h s PHE 62 Ca 0.50 1.07 -0.05 0.00 0.12 0.00 0.00 56.93 58.57 3h9h s PHE 62 Cb -0.23 -2.51 0.00 0.00 -0.57 0.00 0.00 43.02 39.72 3h9h s PHE 62 CO 0.29 -0.42 0.11 1.52 -0.10 0.00 0.00 175.22 176.62 3h9h s TYR 63 N -2.85 -0.01 -0.02 0.36 -0.85 -0.85 -0.71 117.35 112.42 3h9h s TYR 63 Ca 0.52 0.02 -0.07 0.00 -0.52 0.00 0.00 57.07 57.01 3h9h s TYR 63 Cb -0.11 -0.03 0.01 0.00 0.38 0.00 0.00 41.96 42.22 3h9h s TYR 63 CO 0.46 -0.19 0.15 -0.51 -1.52 0.00 0.00 175.55 173.94 3h9h s LEU 64 N -0.80 1.48 -0.21 -3.49 1.43 -0.06 -3.32 118.68 113.71 3h9h s LEU 64 Ca -0.09 -0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 52.97 3h9h s LEU 64 Cb -0.05 0.65 -0.01 0.00 0.03 0.00 0.00 46.19 46.81 3h9h s LEU 64 CO 0.01 -0.26 -0.05 -0.22 0.23 0.00 0.00 176.35 176.06 3h9h s LEU 65 N -0.86 2.89 -0.05 1.79 2.96 -1.26 -1.15 118.68 123.00 3h9h s LEU 65 Ca -0.09 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.39 3h9h s LEU 65 Cb -0.05 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 3h9h s LEU 65 CO 0.01 -0.01 0.14 -0.31 -1.32 0.00 0.00 176.35 174.87 3h9h s TYR 66 N 1.40 3.50 0.07 5.38 1.51 0.53 -1.15 117.35 128.58 3h9h s TYR 66 Ca 0.05 0.38 -0.20 0.00 -1.01 0.00 0.00 57.07 56.29 3h9h s TYR 66 Cb -0.14 -1.85 0.04 0.00 -0.11 0.00 0.00 41.96 39.90 3h9h s TYR 66 CO -0.03 0.65 0.47 1.52 -1.11 0.00 0.00 175.55 177.06 3h9h s TYR 67 N -1.17 -0.34 -0.09 2.71 1.13 -0.24 -0.39 117.35 118.95 3h9h s TYR 67 Ca 0.21 0.28 -0.30 0.00 -1.41 0.00 0.00 57.07 55.86 3h9h s TYR 67 Cb -0.12 0.30 0.08 0.00 -1.10 0.00 0.00 41.96 41.12 3h9h s TYR 67 CO 0.12 -0.64 0.72 -0.08 -2.51 0.00 0.00 175.55 173.16 3h9h s THR 68 N -2.76 0.00 0.26 -3.49 -1.32 -0.78 -0.93 115.64 106.62 3h9h s THR 68 Ca -0.03 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.15 3h9h s THR 68 Cb -0.00 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.89 3h9h s THR 68 CO -0.04 0.00 1.43 -1.61 -2.21 0.00 0.00 174.62 172.19 3h9h s GLU 69 N -0.96 4.27 0.10 7.08 2.02 -1.26 -0.25 118.70 129.70 3h9h s GLU 69 Ca -0.08 2.30 -0.12 0.00 0.02 0.00 0.00 54.97 57.09 3h9h s GLU 69 Cb -0.01 -3.10 0.01 0.00 0.10 0.00 0.00 34.13 31.14 3h9h s GLU 69 CO 0.08 -0.40 0.27 -0.59 0.02 0.00 0.00 175.26 174.64 3h9h s PHE 70 N -0.16 0.01 -0.32 1.61 -0.71 -0.52 -4.81 117.98 113.08 3h9h s PHE 70 Ca 0.58 -0.39 0.03 0.00 -1.04 0.00 0.00 56.93 56.11 3h9h s PHE 70 Cb -0.42 0.07 0.09 0.00 -1.21 0.00 0.00 43.02 41.55 3h9h s PHE 70 CO 0.45 -0.60 0.03 0.99 -1.34 0.00 0.00 175.22 174.74 3h9h s THR 71 N -3.81 2.07 0.60 -4.49 2.01 -1.26 -0.60 115.64 110.15 3h9h s THR 71 Ca 0.04 -2.08 -0.17 0.00 0.31 0.00 0.00 61.69 59.78 3h9h s THR 71 Cb 0.04 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 3h9h s THR 71 CO -0.11 -0.50 1.14 -2.16 -0.69 0.00 0.00 174.62 172.30 3h9h s PRO 72 N 1.04 3.02 0.36 4.92 0.04 -1.26 -4.78 135.00 138.34 3h9h s PRO 72 Ca 0.07 1.57 0.06 0.00 0.04 0.00 0.00 61.00 62.74 3h9h s PRO 72 Cb -0.19 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 3h9h s PRO 72 CO -0.09 -1.11 0.22 0.95 0.04 0.00 0.00 177.00 177.01 3h9h s THR 73 N -1.96 0.22 0.29 1.26 -4.23 -1.26 -0.57 115.64 109.39 3h9h s THR 73 Ca 0.71 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.26 3h9h s THR 73 Cb -0.24 -2.42 0.07 0.00 1.34 0.00 0.00 72.50 71.25 3h9h s THR 73 CO 0.34 0.00 1.73 -0.08 -0.54 0.00 0.00 174.62 176.07 3h9h h GLU 74 N 1.99 0.41 0.00 3.99 4.81 -1.97 -3.35 114.58 120.46 3h9h h GLU 74 Ca -0.29 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3h9h h GLU 74 Cb 1.25 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3h9h h GLU 74 CO 0.44 0.66 -1.00 0.36 -0.73 0.00 0.00 179.01 178.74 3h9h n LYS 75 N -4.11 1.91 -2.26 1.92 2.85 -1.26 -4.96 118.16 112.24 3h9h n LYS 75 Ca -0.01 -0.05 -0.42 0.00 -1.05 0.00 0.00 58.31 56.79 3h9h n LYS 75 Cb 0.41 -1.15 -0.03 0.00 -0.65 0.00 0.00 35.03 33.61 3h9h n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3h9h s ASP 76 N -2.67 6.93 -0.13 -5.58 1.01 -1.26 -5.02 116.67 109.96 3h9h s ASP 76 Ca 0.00 2.26 -0.12 0.00 0.71 0.00 0.00 52.55 55.40 3h9h s ASP 76 Cb 0.08 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 3h9h s ASP 76 CO 0.48 -0.55 0.25 -1.61 0.21 0.00 0.00 175.17 173.95 3h9h s GLU 77 N 0.71 4.00 0.14 8.23 2.02 -1.26 -4.79 118.70 127.74 3h9h s GLU 77 Ca 0.60 0.04 0.10 0.00 0.02 0.00 0.00 54.97 55.73 3h9h s GLU 77 Cb -0.35 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 3h9h s GLU 77 CO 0.32 0.45 -0.24 0.71 0.02 0.00 0.00 175.26 176.52 3h9h s TYR 78 N -0.15 2.10 0.18 1.61 1.51 -1.26 0.01 117.35 121.36 3h9h s TYR 78 Ca 0.16 -0.40 -0.17 0.00 -1.01 0.00 0.00 57.07 55.65 3h9h s TYR 78 Cb -0.13 -1.12 0.03 0.00 -0.11 0.00 0.00 41.96 40.64 3h9h s TYR 78 CO 0.04 0.33 0.50 0.00 -1.11 0.00 0.00 175.55 175.32 3h9h s ALA 79 N -1.30 -0.96 -0.05 3.71 0.00 -0.89 0.10 121.76 122.37 3h9h s ALA 79 Ca 0.13 -0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.00 3h9h s ALA 79 Cb -0.09 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 3h9h s ALA 79 CO 0.06 -0.77 -0.25 0.00 0.00 0.00 0.00 175.76 174.80 3h9h s ARG 81 N -0.29 2.63 -0.07 0.00 3.52 -0.00 -0.29 118.95 124.44 3h9h s ARG 81 Ca 0.00 -0.87 0.04 0.00 -0.13 0.00 0.00 55.73 54.77 3h9h s ARG 81 Cb -0.13 -2.52 -0.02 0.00 -1.56 0.00 0.00 34.95 30.72 3h9h s ARG 81 CO 0.02 -0.30 -0.18 0.08 -0.81 0.00 0.00 175.30 174.11 3h9h s VAL 82 N 1.31 2.68 0.03 7.11 1.01 -0.01 -1.03 120.40 131.50 3h9h s VAL 82 Ca 0.02 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.22 3h9h s VAL 82 Cb -0.15 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 3h9h s VAL 82 CO -0.11 0.57 -0.17 0.21 0.00 0.00 0.00 175.10 175.60 3h9h s ASN 83 N -0.22 2.02 0.17 3.32 2.47 -0.17 -0.33 114.94 122.19 3h9h s ASN 83 Ca -0.00 -0.44 -0.18 0.00 0.42 0.00 0.00 52.86 52.66 3h9h s ASN 83 Cb -0.13 -0.17 0.04 0.00 -1.45 0.00 0.00 41.25 39.54 3h9h s ASN 83 CO 0.03 0.12 0.50 -2.28 -3.72 0.00 0.00 177.10 171.75 3h9h s HIS 84 N -0.71 -0.20 0.54 0.43 5.65 -1.26 -1.80 115.29 117.94 3h9h s HIS 84 Ca 0.05 -0.12 0.24 0.00 0.25 0.00 0.00 55.06 55.48 3h9h s HIS 84 Cb -0.08 0.37 1.44 0.00 -1.18 0.00 0.00 32.58 33.13 3h9h s HIS 84 CO 0.01 -0.84 2.07 -0.24 -0.65 0.00 0.00 174.74 175.09 3h9h h VAL 85 N 2.22 0.74 -0.00 0.89 3.04 -1.94 -1.83 116.25 119.36 3h9h h VAL 85 Ca -0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 3h9h h VAL 85 Cb 1.27 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 3h9h h VAL 85 CO 0.40 0.00 -0.03 0.35 -1.01 0.00 0.00 177.57 177.29 3h9h n THR 86 N -4.26 0.00 -4.30 3.17 -2.24 -1.26 -4.76 114.28 100.62 3h9h n THR 86 Ca 0.04 -0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 3h9h n THR 86 Cb 0.37 -0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 68.06 3h9h n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3h9h s LEU 87 N -2.61 3.43 0.49 3.22 1.43 -0.69 -5.00 118.68 118.95 3h9h s LEU 87 Ca 0.27 -0.04 0.28 0.00 -1.03 0.00 0.00 54.13 53.60 3h9h s LEU 87 Cb 0.20 -1.83 0.93 0.00 0.03 0.00 0.00 46.19 45.51 3h9h s LEU 87 CO 0.48 0.20 1.82 0.77 0.23 0.00 0.00 176.35 179.84 3h9h h SER 88 N 6.51 0.00 -5.06 2.29 4.64 -1.86 -3.43 113.55 116.64 3h9h h SER 88 Ca -0.35 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.92 3h9h h SER 88 Cb 1.18 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.14 3h9h h SER 88 CO 0.64 0.06 -0.04 0.00 -0.87 0.00 0.00 176.83 176.61 3h9h s GLN 89 N -3.49 1.07 0.11 4.77 -2.07 -1.26 -5.13 119.66 113.66 3h9h s GLN 89 Ca 0.03 -0.62 -0.36 0.00 -1.82 0.00 0.00 55.36 52.59 3h9h s GLN 89 Cb 0.08 0.47 -0.16 0.00 -1.09 0.00 0.00 33.01 32.31 3h9h s GLN 89 CO 0.61 -0.42 1.42 -2.30 -1.32 0.00 0.00 175.29 173.28 3h9h n PRO 90 N -0.12 1.48 -3.24 9.60 -0.02 -1.26 -4.92 135.00 136.52 3h9h n PRO 90 Ca -0.17 0.53 -0.39 0.00 -2.02 0.00 0.00 63.50 61.46 3h9h n PRO 90 Cb 0.63 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.83 3h9h n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3h9h s LYS 91 N 0.63 4.29 -0.22 -0.52 2.20 0.55 -4.89 119.74 121.78 3h9h s LYS 91 Ca 0.83 0.50 -0.07 0.00 -0.36 0.00 0.00 55.97 56.87 3h9h s LYS 91 Cb -0.86 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 31.93 3h9h s LYS 91 CO 0.44 -0.00 0.05 0.42 -0.36 0.00 0.00 175.35 175.90 3h9h s ILE 92 N 1.13 4.42 -0.19 5.43 1.01 -1.26 -0.83 121.20 130.91 3h9h s ILE 92 Ca 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 3h9h s ILE 92 Cb -0.16 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.29 3h9h s ILE 92 CO 0.11 0.40 -0.12 -0.69 0.00 0.00 0.00 174.94 174.64 3h9h s VAL 93 N 1.06 2.84 0.35 2.92 1.01 0.60 -4.96 120.40 124.22 3h9h s VAL 93 Ca 0.04 -0.69 -0.26 0.00 0.00 0.00 0.00 61.98 61.07 3h9h s VAL 93 Cb -0.14 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.90 3h9h s VAL 93 CO 0.03 0.48 1.03 -0.54 0.00 0.00 0.00 175.10 176.10 3h9h s LYS 94 N 1.16 4.38 -0.02 2.72 1.02 -1.26 -0.40 119.74 127.34 3h9h s LYS 94 Ca 0.01 1.52 -0.30 0.00 0.02 0.00 0.00 55.97 57.22 3h9h s LYS 94 Cb -0.14 -2.75 -0.05 0.00 -0.52 0.00 0.00 37.83 34.37 3h9h s LYS 94 CO -0.04 0.05 1.30 -0.46 -0.92 0.00 0.00 175.35 175.28 3h9h s TRP 95 N -1.54 3.03 -0.17 3.18 -0.00 0.11 -4.88 118.94 118.67 3h9h s TRP 95 Ca 0.53 1.01 0.00 0.00 -0.00 0.00 0.00 56.10 57.65 3h9h s TRP 95 Cb -0.23 -3.55 0.01 0.00 -0.00 0.00 0.00 33.47 29.70 3h9h s TRP 95 CO 0.29 -1.90 -0.17 0.34 -0.00 0.00 0.00 176.95 175.51 3h9h s ASP 96 N 1.66 3.42 0.35 5.86 -1.08 -1.26 -4.72 116.67 120.90 3h9h s ASP 96 Ca 0.60 -0.56 0.26 0.00 -0.52 0.00 0.00 52.55 52.34 3h9h s ASP 96 Cb -0.28 -1.53 1.20 0.00 -1.46 0.00 0.00 42.92 40.85 3h9h s ASP 96 CO 0.25 0.03 1.79 0.08 0.52 0.00 0.00 175.17 177.84 3h9h h ARG 97 N 7.68 0.00 -0.65 4.34 0.11 -1.95 -1.30 114.38 122.61 3h9h h ARG 97 Ca -0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.69 3h9h h ARG 97 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 3h9h h ARG 97 CO 0.60 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.42 3h9h n ASP 98 N -2.44 4.34 0.00 0.08 8.00 -1.26 -4.74 116.55 120.53 3h9h n ASP 98 Ca 0.01 -2.55 0.00 0.00 0.71 0.00 0.00 54.79 52.96 3h9h n ASP 98 Cb 0.18 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 3h9h n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04