#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 0.09 -3.86 3.17 5.41 -1.26 -5.01 119.36 117.91 3h9h n ILE 1 Ca 0.00 -0.02 -0.20 0.00 1.00 0.00 0.00 62.75 63.54 3h9h n ILE 1 Cb 0.00 -1.36 -0.17 0.00 -0.71 0.00 0.00 39.64 37.40 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 1.35 0.39 -0.02 0.38 -0.21 -1.26 -4.41 119.66 115.88 3h9h s GLN 2 Ca 0.83 0.12 0.07 0.00 0.02 0.00 0.00 55.36 56.40 3h9h s GLN 2 Cb -0.78 -0.68 -0.02 0.00 1.00 0.00 0.00 33.01 32.53 3h9h s GLN 2 CO 0.44 -0.22 -0.23 1.03 -2.12 0.00 0.00 175.29 174.19 3h9h s ARG 3 N 1.51 1.95 0.13 2.91 0.52 0.50 -4.91 118.95 121.57 3h9h s ARG 3 Ca -0.03 -0.83 -0.28 0.00 -0.52 0.00 0.00 55.73 54.08 3h9h s ARG 3 Cb -0.13 -1.84 -0.07 0.00 0.52 0.00 0.00 34.95 33.43 3h9h s ARG 3 CO -0.03 0.47 0.88 0.99 0.02 0.00 0.00 175.30 177.64 3h9h s THR 4 N -0.47 4.45 0.26 0.02 2.01 -1.26 -1.60 115.64 119.04 3h9h s THR 4 Ca 0.07 1.91 -0.30 0.00 0.31 0.00 0.00 61.69 63.68 3h9h s THR 4 Cb -0.10 -4.25 -0.10 0.00 0.01 0.00 0.00 72.50 68.07 3h9h s THR 4 CO -0.00 0.40 1.43 -2.16 -0.69 0.00 0.00 174.62 173.60 3h9h s PRO 5 N -0.43 4.27 0.35 4.92 0.04 -1.26 -4.31 135.00 138.57 3h9h s PRO 5 Ca 0.42 2.30 -0.25 0.00 0.04 0.00 0.00 61.00 63.51 3h9h s PRO 5 Cb -0.23 -3.10 -0.10 0.00 0.04 0.00 0.00 34.50 31.10 3h9h s PRO 5 CO 0.28 -0.41 0.96 0.15 0.04 0.00 0.00 177.00 178.02 3h9h s LYS 6 N -0.48 4.47 -0.07 4.56 1.02 0.72 -4.90 119.74 125.07 3h9h s LYS 6 Ca 0.59 1.33 0.02 0.00 0.02 0.00 0.00 55.97 57.92 3h9h s LYS 6 Cb -0.42 -2.67 0.02 0.00 -0.52 0.00 0.00 37.83 34.23 3h9h s LYS 6 CO 0.44 0.18 -0.11 0.42 -0.92 0.00 0.00 175.35 175.36 3h9h s ILE 7 N -1.70 1.04 -0.08 2.17 1.01 -1.26 -1.84 121.20 120.54 3h9h s ILE 7 Ca 0.53 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.79 3h9h s ILE 7 Cb -0.18 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.33 3h9h s ILE 7 CO 0.23 0.34 -0.15 -1.10 0.00 0.00 0.00 174.94 174.26 3h9h s GLN 8 N 0.80 2.03 -0.16 2.79 -0.21 -0.54 -5.00 119.66 119.37 3h9h s GLN 8 Ca -0.12 -0.52 -0.01 0.00 0.02 0.00 0.00 55.36 54.72 3h9h s GLN 8 Cb -0.15 -1.63 -0.01 0.00 1.00 0.00 0.00 33.01 32.21 3h9h s GLN 8 CO 0.02 0.05 -0.10 0.08 -2.12 0.00 0.00 175.29 173.22 3h9h s VAL 9 N 0.62 3.16 0.14 1.09 1.01 -1.26 -0.95 120.40 124.20 3h9h s VAL 9 Ca -0.15 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 3h9h s VAL 9 Cb -0.16 -2.36 0.07 0.00 0.00 0.00 0.00 36.38 33.92 3h9h s VAL 9 CO 0.05 0.50 0.84 -0.72 0.00 0.00 0.00 175.10 175.77 3h9h s TYR 10 N 0.69 -0.25 0.14 5.22 1.13 -0.62 -4.56 117.35 119.09 3h9h s TYR 10 Ca -0.05 -0.03 -0.02 0.00 -1.41 0.00 0.00 57.07 55.56 3h9h s TYR 10 Cb -0.15 0.62 -0.05 0.00 -1.10 0.00 0.00 41.96 41.28 3h9h s TYR 10 CO 0.02 -0.84 0.33 -1.54 -2.51 0.00 0.00 175.55 171.01 3h9h s SER 11 N -2.80 6.42 0.19 -0.18 1.04 -1.26 0.16 113.70 117.28 3h9h s SER 11 Ca 0.09 0.43 -0.12 0.00 0.48 0.00 0.00 55.95 56.83 3h9h s SER 11 Cb -0.02 -2.02 0.17 0.00 0.10 0.00 0.00 66.02 64.25 3h9h s SER 11 CO -0.02 0.06 1.79 -0.09 0.98 0.00 0.00 173.24 175.96 3h9h h ARG 12 N 2.65 0.53 -6.40 4.02 2.43 -1.48 -3.44 114.38 112.70 3h9h h ARG 12 Ca -0.46 -0.03 -0.63 0.00 -0.81 0.00 0.00 59.98 58.05 3h9h h ARG 12 Cb 1.17 -0.12 -0.16 0.00 -0.42 0.00 0.00 29.97 30.44 3h9h h ARG 12 CO 0.72 0.35 -0.78 -1.01 -1.51 0.00 0.00 179.97 177.75 3h9h s HIS 13 N -6.12 2.34 -0.17 2.20 3.76 -1.26 -5.03 115.29 111.00 3h9h s HIS 13 Ca -0.13 -0.33 -0.41 0.00 -0.15 0.00 0.00 55.06 54.04 3h9h s HIS 13 Cb 0.15 -1.09 -0.18 0.00 1.11 0.00 0.00 32.58 32.56 3h9h s HIS 13 CO 0.74 0.61 1.40 -2.30 -0.85 0.00 0.00 174.74 174.34 3h9h n PRO 14 N -0.21 0.45 -2.09 8.40 -0.02 -1.26 -4.85 135.00 135.42 3h9h n PRO 14 Ca -0.09 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 3h9h n PRO 14 Cb 0.58 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 32.30 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 1.60 3.63 -0.07 3.55 0.00 -1.26 -5.00 121.76 124.21 3h9h s ALA 15 Ca 0.95 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.97 3h9h s ALA 15 Cb -1.23 -3.63 0.02 0.00 0.00 0.00 0.00 23.12 18.28 3h9h s ALA 15 CO 0.63 -0.96 -0.08 -1.21 0.00 0.00 0.00 175.76 174.15 3h9h s GLU 16 N 2.33 1.33 0.13 0.00 2.02 -1.26 -5.10 118.70 118.15 3h9h s GLU 16 Ca 0.68 -0.25 -0.31 0.00 0.02 0.00 0.00 54.97 55.11 3h9h s GLU 16 Cb -0.36 -1.25 -0.10 0.00 0.10 0.00 0.00 34.13 32.52 3h9h s GLU 16 CO 0.29 -0.10 1.78 -0.80 0.02 0.00 0.00 175.26 176.46 3h9h s ASN 17 N 1.07 6.44 0.00 -0.19 0.01 -1.26 -1.87 114.94 119.14 3h9h s ASN 17 Ca -0.08 2.74 0.00 0.00 -0.71 0.00 0.00 52.86 54.81 3h9h s ASN 17 Cb -0.14 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 38.94 3h9h s ASN 17 CO -0.01 -0.98 0.00 0.61 -1.51 0.00 0.00 177.10 175.21 3h9h n GLY 18 N 4.15 0.69 3.47 0.66 0.00 0.90 -4.97 105.19 110.08 3h9h n GLY 18 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.65 2.97 0.43 1.61 1.02 -0.78 -4.98 119.74 119.36 3h9h s LYS 19 Ca 0.00 -0.64 -0.25 0.00 0.02 0.00 0.00 55.97 55.10 3h9h s LYS 19 Cb 0.00 -2.56 -0.08 0.00 -0.52 0.00 0.00 37.83 34.67 3h9h s LYS 19 CO 0.00 0.46 1.24 0.45 -0.92 0.00 0.00 175.35 176.58 3h9h s SER 20 N -0.29 6.20 0.15 2.83 0.15 -1.26 -4.11 113.70 117.37 3h9h s SER 20 Ca 0.03 2.51 -0.04 0.00 0.70 0.00 0.00 55.95 59.15 3h9h s SER 20 Cb -0.13 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.57 3h9h s SER 20 CO 0.03 -0.91 0.26 -3.20 1.20 0.00 0.00 173.24 170.61 3h9h n ASN 21 N -0.17 -0.74 -4.07 5.45 2.85 0.93 -4.99 115.26 114.52 3h9h n ASN 21 Ca 0.05 -1.67 -0.21 0.00 -0.11 0.00 0.00 54.58 52.65 3h9h n ASN 21 Cb 0.46 1.28 -0.15 0.00 1.24 0.00 0.00 39.78 42.60 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 -5.49 1.13 -0.23 1.20 0.40 -1.26 -1.58 117.98 112.14 3h9h s PHE 22 Ca 0.08 -0.24 -0.11 0.00 -0.60 0.00 0.00 56.93 56.06 3h9h s PHE 22 Cb -0.01 -0.75 -0.05 0.00 0.51 0.00 0.00 43.02 42.72 3h9h s PHE 22 CO 0.06 -0.05 0.19 -1.17 0.70 0.00 0.00 175.22 174.94 3h9h s LEU 23 N -0.14 4.13 0.02 -0.37 2.96 -0.25 -1.05 118.68 123.98 3h9h s LEU 23 Ca 0.02 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.15 3h9h s LEU 23 Cb -0.06 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 3h9h s LEU 23 CO -0.00 0.06 -0.10 0.20 -1.32 0.00 0.00 176.35 175.19 3h9h s ASN 24 N 0.96 4.37 -0.23 3.68 0.01 0.12 -2.20 114.94 121.66 3h9h s ASN 24 Ca 0.09 -0.24 -0.01 0.00 -0.71 0.00 0.00 52.86 51.99 3h9h s ASN 24 Cb -0.13 -0.93 0.06 0.00 0.41 0.00 0.00 41.25 40.66 3h9h s ASN 24 CO 0.04 0.27 -0.01 0.00 -1.51 0.00 0.00 177.10 175.89 3h9h s TYR 26 N 1.56 3.23 -0.11 0.00 5.04 -0.13 -0.43 117.35 126.51 3h9h s TYR 26 Ca -0.03 0.14 -0.00 0.00 -2.44 0.00 0.00 57.07 54.74 3h9h s TYR 26 Cb -0.18 -2.51 -0.02 0.00 0.35 0.00 0.00 41.96 39.60 3h9h s TYR 26 CO -0.08 -0.26 -0.11 0.14 -1.34 0.00 0.00 175.55 173.91 3h9h s VAL 27 N 1.90 3.31 0.17 3.14 -7.23 -0.11 -1.46 120.40 120.13 3h9h s VAL 27 Ca 0.10 -0.58 -0.11 0.00 -1.81 0.00 0.00 61.98 59.57 3h9h s VAL 27 Cb -0.16 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.39 3h9h s VAL 27 CO 0.11 0.54 0.35 -0.94 -0.31 0.00 0.00 175.10 174.85 3h9h s SER 28 N 0.03 -0.04 0.00 4.85 1.04 -0.77 -0.68 113.70 118.13 3h9h s SER 28 Ca -0.03 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.63 3h9h s SER 28 Cb -0.14 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3h9h s SER 28 CO 0.04 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.93 3h9h n GLY 29 N -0.25 0.44 3.93 7.32 0.00 -0.58 -0.20 105.19 115.85 3h9h n GLY 29 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.88 3.36 -0.28 1.61 -0.71 -1.16 -4.29 117.98 114.63 3h9h s PHE 30 Ca 0.00 -0.04 -0.21 0.00 -1.04 0.00 0.00 56.93 55.64 3h9h s PHE 30 Cb 0.00 -1.53 0.09 0.00 -1.21 0.00 0.00 43.02 40.37 3h9h s PHE 30 CO 0.00 0.47 0.81 -1.58 -1.34 0.00 0.00 175.22 173.58 3h9h s HIS 31 N -2.00 -0.77 0.90 3.49 2.46 -0.63 -0.86 115.29 117.87 3h9h s HIS 31 Ca 0.34 1.72 -0.15 0.00 0.47 0.00 0.00 55.06 57.44 3h9h s HIS 31 Cb -0.09 0.41 0.22 0.00 -0.13 0.00 0.00 32.58 32.99 3h9h s HIS 31 CO 0.28 -0.38 0.79 -0.35 -2.47 0.00 0.00 174.74 172.61 3h9h n PRO 32 N 3.20 -2.62 0.07 2.88 -0.04 -1.26 -0.37 135.00 136.85 3h9h n PRO 32 Ca -0.16 -1.26 0.13 0.00 -0.04 0.00 0.00 63.50 62.17 3h9h n PRO 32 Cb 0.57 -1.19 0.42 0.00 -0.04 0.00 0.00 33.50 33.25 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 -4.38 0.58 -4.67 3.54 3.41 -1.26 -4.82 113.62 106.01 3h9h n SER 33 Ca 0.11 0.45 -0.42 0.00 -0.26 0.00 0.00 58.87 58.75 3h9h n SER 33 Cb 0.43 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 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 -4.02 6.73 -0.13 4.04 1.01 -1.26 -4.98 116.67 118.07 3h9h s ASP 34 Ca 0.11 2.20 -0.16 0.00 0.71 0.00 0.00 52.55 55.41 3h9h s ASP 34 Cb 0.14 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.57 3h9h s ASP 34 CO 0.60 -0.85 0.42 -0.51 0.21 0.00 0.00 175.17 175.05 3h9h s ILE 35 N 3.27 0.01 -0.13 0.77 2.07 -1.26 -4.59 121.20 121.33 3h9h s ILE 35 Ca 0.69 -0.09 -0.01 0.00 -1.41 0.00 0.00 60.65 59.84 3h9h s ILE 35 Cb -0.33 -0.62 -0.02 0.00 0.13 0.00 0.00 42.46 41.62 3h9h s ILE 35 CO 0.28 -0.05 -0.11 -1.61 -1.91 0.00 0.00 174.94 171.54 3h9h s GLU 36 N -0.13 3.44 -0.08 3.50 2.02 -0.26 -4.98 118.70 122.21 3h9h s GLU 36 Ca -0.03 -0.64 -0.01 0.00 0.02 0.00 0.00 54.97 54.30 3h9h s GLU 36 Cb -0.03 -2.70 0.03 0.00 0.10 0.00 0.00 34.13 31.53 3h9h s GLU 36 CO 0.02 0.23 0.01 0.08 0.02 0.00 0.00 175.26 175.62 3h9h s VAL 37 N 0.32 0.35 0.10 2.63 1.01 -1.26 -0.84 120.40 122.70 3h9h s VAL 37 Ca -0.09 0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.10 3h9h s VAL 37 Cb -0.15 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3h9h s VAL 37 CO 0.05 0.23 -0.26 -1.81 0.00 0.00 0.00 175.10 173.31 3h9h s ASP 38 N 1.98 3.32 -0.14 3.32 -0.00 0.35 -4.97 116.67 120.52 3h9h s ASP 38 Ca 0.05 -0.67 -0.07 0.00 -0.00 0.00 0.00 52.55 51.86 3h9h s ASP 38 Cb -0.12 -0.28 -0.04 0.00 -0.00 0.00 0.00 42.92 42.47 3h9h s ASP 38 CO -0.05 0.21 0.11 -0.76 -0.00 0.00 0.00 175.17 174.68 3h9h s LEU 39 N -1.75 4.15 -0.04 1.23 1.43 -1.26 -0.43 118.68 122.01 3h9h s LEU 39 Ca 0.13 0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 3h9h s LEU 39 Cb -0.10 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 3h9h s LEU 39 CO 0.05 0.31 -0.16 -0.76 0.23 0.00 0.00 176.35 176.02 3h9h s LEU 40 N -0.45 2.62 -0.19 1.79 1.43 0.56 -0.54 118.68 123.91 3h9h s LEU 40 Ca 0.11 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 3h9h s LEU 40 Cb -0.12 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.60 3h9h s LEU 40 CO 0.02 0.34 -0.17 -0.75 0.23 0.00 0.00 176.35 176.01 3h9h s LYS 41 N -0.71 3.01 -1.56 1.70 2.20 0.52 -1.82 119.74 123.08 3h9h s LYS 41 Ca 0.11 -0.83 -0.13 0.00 -0.36 0.00 0.00 55.97 54.77 3h9h s LYS 41 Cb -0.11 -2.64 0.09 0.00 -1.51 0.00 0.00 37.83 33.66 3h9h s LYS 41 CO 0.00 -0.23 0.84 0.09 -0.36 0.00 0.00 175.35 175.70 3h9h n ASN 42 N 4.64 -3.57 0.00 1.43 3.02 0.20 -1.19 115.26 119.79 3h9h n ASN 42 Ca -0.20 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3h9h n ASN 42 Cb 0.50 -3.45 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 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 -1.62 1.54 3.52 7.41 0.00 -1.26 -5.03 105.19 109.74 3h9h n GLY 43 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.17 2.57 0.13 1.61 2.02 -0.33 -5.02 118.70 119.51 3h9h s GLU 44 Ca 0.00 -0.66 -0.31 0.00 0.02 0.00 0.00 54.97 54.02 3h9h s GLU 44 Cb 0.00 -2.45 -0.10 0.00 0.10 0.00 0.00 34.13 31.68 3h9h s GLU 44 CO 0.00 0.63 1.77 0.50 0.02 0.00 0.00 175.26 178.18 3h9h s ARG 45 N -0.82 4.15 0.05 1.61 3.52 -1.26 -0.35 118.95 125.85 3h9h s ARG 45 Ca 0.12 2.55 -0.30 0.00 -0.13 0.00 0.00 55.73 57.97 3h9h s ARG 45 Cb -0.11 -3.48 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 3h9h s ARG 45 CO 0.01 -0.80 1.02 0.42 -0.81 0.00 0.00 175.30 175.15 3h9h s ILE 46 N 2.36 4.55 -0.03 4.11 1.01 0.30 -4.87 121.20 128.63 3h9h s ILE 46 Ca 0.78 1.93 -0.23 0.00 0.00 0.00 0.00 60.65 63.13 3h9h s ILE 46 Cb -0.46 -4.23 -0.22 0.00 0.01 0.00 0.00 42.46 37.56 3h9h s ILE 46 CO 0.35 0.20 1.08 -0.33 0.00 0.00 0.00 174.94 176.24 3h9h h GLU 47 N 6.33 0.21 -4.61 2.79 5.08 -1.94 -3.40 114.58 119.05 3h9h h GLU 47 Ca -0.42 -0.21 -0.74 0.00 -1.00 0.00 0.00 59.36 57.00 3h9h h GLU 47 Cb 1.22 0.05 -0.17 0.00 0.50 0.00 0.00 28.75 30.35 3h9h h GLU 47 CO 0.75 0.90 1.47 1.17 -1.00 0.00 0.00 179.01 182.30 3h9h n LYS 48 N -4.49 3.40 -4.97 2.33 4.81 -1.26 -4.95 118.16 113.02 3h9h n LYS 48 Ca -0.09 -3.80 -0.32 0.00 -0.87 0.00 0.00 58.31 53.23 3h9h n LYS 48 Cb 0.50 -3.04 -0.16 0.00 0.02 0.00 0.00 35.03 32.36 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 1.46 2.60 0.40 3.15 1.01 -1.26 -4.65 120.40 123.12 3h9h s VAL 49 Ca 0.43 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.66 3h9h s VAL 49 Cb -0.01 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3h9h s VAL 49 CO 0.00 0.54 0.32 -1.61 0.00 0.00 0.00 175.10 174.36 3h9h s GLU 50 N 0.35 2.49 0.04 2.72 2.02 -0.27 -4.93 118.70 121.11 3h9h s GLU 50 Ca -0.14 -1.57 -0.01 0.00 0.02 0.00 0.00 54.97 53.27 3h9h s GLU 50 Cb -0.17 -2.30 -0.03 0.00 0.10 0.00 0.00 34.13 31.73 3h9h s GLU 50 CO 0.07 -0.13 -0.02 -3.38 0.02 0.00 0.00 175.26 171.81 3h9h s HIS 51 N -2.48 0.40 0.95 1.61 -3.43 -1.26 -0.97 115.29 110.11 3h9h s HIS 51 Ca 0.46 -0.83 -0.12 0.00 -0.80 0.00 0.00 55.06 53.77 3h9h s HIS 51 Cb -0.02 -0.30 0.16 0.00 -1.43 0.00 0.00 32.58 30.99 3h9h s HIS 51 CO 0.26 -0.31 1.11 -1.54 -2.00 0.00 0.00 174.74 172.27 3h9h s SER 52 N -2.30 3.13 0.13 7.38 1.04 -0.13 -5.00 113.70 117.95 3h9h s SER 52 Ca -0.03 1.12 -0.30 0.00 0.48 0.00 0.00 55.95 57.22 3h9h s SER 52 Cb 0.00 -1.76 -0.06 0.00 0.10 0.00 0.00 66.02 64.31 3h9h s SER 52 CO -0.06 -2.80 0.98 -1.81 0.98 0.00 0.00 173.24 170.53 3h9h s ASP 53 N -3.71 7.48 0.07 7.02 1.01 -1.26 -4.76 116.67 122.51 3h9h s ASP 53 Ca 0.64 1.85 -0.34 0.00 0.71 0.00 0.00 52.55 55.41 3h9h s ASP 53 Cb -0.17 -2.59 -0.14 0.00 1.01 0.00 0.00 42.92 41.03 3h9h s ASP 53 CO 0.56 -0.07 1.65 -0.11 0.21 0.00 0.00 175.17 177.40 3h9h n LEU 54 N 2.62 3.02 -4.28 1.23 7.94 -1.26 -4.94 117.00 121.32 3h9h n LEU 54 Ca 0.02 1.06 -0.20 0.00 -1.11 0.00 0.00 56.01 55.78 3h9h n LEU 54 Cb 0.48 -1.38 -0.08 0.00 0.53 0.00 0.00 43.42 42.98 3h9h n LEU 54 CO 0.51 -0.30 -0.11 -0.55 -1.11 0.00 0.00 177.39 175.84 3h9h s SER 55 N 1.86 1.72 0.19 1.96 0.15 -1.20 -5.04 113.70 113.34 3h9h s SER 55 Ca 0.84 -1.77 -0.12 0.00 0.70 0.00 0.00 55.95 55.60 3h9h s SER 55 Cb -0.72 0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 64.15 3h9h s SER 55 CO 0.44 -1.07 0.38 0.72 1.20 0.00 0.00 173.24 174.91 3h9h s PHE 56 N -3.42 0.30 0.67 3.44 -0.12 -1.26 -1.57 117.98 116.01 3h9h s PHE 56 Ca 0.41 -0.65 0.01 0.00 -0.05 0.00 0.00 56.93 56.65 3h9h s PHE 56 Cb 0.02 0.09 0.11 0.00 -0.63 0.00 0.00 43.02 42.61 3h9h s PHE 56 CO 0.28 -0.83 0.93 -1.12 -0.05 0.00 0.00 175.22 174.43 3h9h s SER 57 N -2.96 4.58 0.35 1.98 0.01 0.40 -4.93 113.70 113.13 3h9h s SER 57 Ca 0.17 -0.42 0.08 0.00 1.31 0.00 0.00 55.95 57.09 3h9h s SER 57 Cb 0.01 -0.05 0.79 0.00 0.21 0.00 0.00 66.02 66.98 3h9h s SER 57 CO 0.02 -1.69 1.87 0.50 0.41 0.00 0.00 173.24 174.35 3h9h h LYS 58 N -0.33 0.70 -0.11 12.44 3.64 -2.02 0.05 116.57 130.94 3h9h h LYS 58 Ca -0.36 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3h9h h LYS 58 Cb 1.27 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3h9h h LYS 58 CO 0.41 0.47 0.00 -0.40 -2.27 0.00 0.00 179.45 177.66 3h9h n ASP 59 N -4.56 0.59 0.00 4.20 5.75 -1.26 -4.90 116.55 116.37 3h9h n ASP 59 Ca 0.17 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 3h9h n ASP 59 Cb 0.45 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 3h9h n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3h9h n TRP 60 N -0.19 0.00 -2.63 2.11 7.02 0.00 -5.02 117.44 118.73 3h9h n TRP 60 Ca 0.05 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.15 3h9h n TRP 60 Cb 0.10 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.94 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 -3.46 7.17 0.43 -0.99 1.04 -1.26 -4.62 113.70 112.02 3h9h s SER 61 Ca 0.00 2.01 -0.08 0.00 0.48 0.00 0.00 55.95 58.36 3h9h s SER 61 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 3h9h s SER 61 CO 0.00 -0.20 0.77 -0.36 0.98 0.00 0.00 173.24 174.43 3h9h s PHE 62 N -1.48 3.51 0.00 5.02 0.08 -0.04 -0.45 117.98 124.63 3h9h s PHE 62 Ca 0.50 0.94 -0.04 0.00 0.12 0.00 0.00 56.93 58.45 3h9h s PHE 62 Cb -0.24 -2.37 -0.01 0.00 -0.57 0.00 0.00 43.02 39.83 3h9h s PHE 62 CO 0.30 -0.18 0.06 1.52 -0.10 0.00 0.00 175.22 176.83 3h9h s TYR 63 N -2.53 0.11 -0.03 0.36 -0.85 -0.61 -1.53 117.35 112.28 3h9h s TYR 63 Ca 0.49 -0.24 -0.09 0.00 -0.52 0.00 0.00 57.07 56.71 3h9h s TYR 63 Cb -0.10 -0.09 0.01 0.00 0.38 0.00 0.00 41.96 42.16 3h9h s TYR 63 CO 0.37 -0.21 0.21 -0.51 -1.52 0.00 0.00 175.55 173.89 3h9h s LEU 64 N -1.21 1.25 -0.18 -3.49 1.43 0.14 -3.23 118.68 113.40 3h9h s LEU 64 Ca -0.13 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 3h9h s LEU 64 Cb -0.08 0.85 -0.01 0.00 0.03 0.00 0.00 46.19 46.99 3h9h s LEU 64 CO 0.00 -0.30 -0.08 -0.22 0.23 0.00 0.00 176.35 175.98 3h9h s LEU 65 N -0.92 2.86 -0.04 1.79 2.96 -1.26 -0.93 118.68 123.13 3h9h s LEU 65 Ca -0.10 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 3h9h s LEU 65 Cb -0.05 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 3h9h s LEU 65 CO 0.02 0.08 0.07 -0.31 -1.32 0.00 0.00 176.35 174.89 3h9h s TYR 66 N 0.89 3.31 0.08 5.38 1.51 0.43 -0.96 117.35 128.00 3h9h s TYR 66 Ca -0.02 0.26 -0.20 0.00 -1.01 0.00 0.00 57.07 56.11 3h9h s TYR 66 Cb -0.15 -1.79 0.05 0.00 -0.11 0.00 0.00 41.96 39.96 3h9h s TYR 66 CO 0.01 0.57 0.47 1.52 -1.11 0.00 0.00 175.55 177.00 3h9h s TYR 67 N -1.09 -0.34 0.02 2.71 1.13 -0.14 -0.29 117.35 119.35 3h9h s TYR 67 Ca 0.19 0.24 -0.24 0.00 -1.41 0.00 0.00 57.07 55.85 3h9h s TYR 67 Cb -0.12 0.31 0.06 0.00 -1.10 0.00 0.00 41.96 41.11 3h9h s TYR 67 CO 0.09 -0.66 0.55 -0.08 -2.51 0.00 0.00 175.55 172.95 3h9h s THR 68 N -2.94 0.02 0.29 -3.49 -1.32 -0.93 -1.12 115.64 106.14 3h9h s THR 68 Ca -0.02 -0.17 -0.29 0.00 -1.21 0.00 0.00 61.69 59.99 3h9h s THR 68 Cb -0.00 -0.95 -0.10 0.00 -1.51 0.00 0.00 72.50 69.94 3h9h s THR 68 CO -0.06 -0.10 1.17 -1.61 -2.21 0.00 0.00 174.62 171.82 3h9h s GLU 69 N -2.01 4.54 0.16 7.08 2.02 -1.26 -1.09 118.70 128.13 3h9h s GLU 69 Ca -0.08 1.94 -0.14 0.00 0.02 0.00 0.00 54.97 56.71 3h9h s GLU 69 Cb -0.01 -3.16 0.02 0.00 0.10 0.00 0.00 34.13 31.08 3h9h s GLU 69 CO 0.02 0.06 0.40 -0.59 0.02 0.00 0.00 175.26 175.17 3h9h s PHE 70 N -1.03 0.03 -0.26 1.61 -0.71 -0.62 -4.84 117.98 112.15 3h9h s PHE 70 Ca 0.47 -0.38 0.02 0.00 -1.04 0.00 0.00 56.93 56.00 3h9h s PHE 70 Cb -0.34 0.20 0.07 0.00 -1.21 0.00 0.00 43.02 41.73 3h9h s PHE 70 CO 0.44 -0.78 -0.04 0.99 -1.34 0.00 0.00 175.22 174.49 3h9h s THR 71 N -3.88 1.78 0.51 -4.49 2.01 -1.26 -0.05 115.64 110.25 3h9h s THR 71 Ca 0.10 -1.52 -0.21 0.00 0.31 0.00 0.00 61.69 60.37 3h9h s THR 71 Cb 0.01 -2.06 -0.07 0.00 0.01 0.00 0.00 72.50 70.40 3h9h s THR 71 CO -0.05 -0.20 1.14 -2.16 -0.69 0.00 0.00 174.62 172.66 3h9h s PRO 72 N 1.25 3.53 0.37 4.92 0.04 -1.26 -4.78 135.00 139.07 3h9h s PRO 72 Ca -0.03 1.66 0.03 0.00 0.04 0.00 0.00 61.00 62.71 3h9h s PRO 72 Cb -0.19 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 3h9h s PRO 72 CO -0.07 -0.71 0.10 0.95 0.04 0.00 0.00 177.00 177.30 3h9h s THR 73 N -1.69 0.82 0.20 1.26 -4.23 -1.26 -0.07 115.64 110.67 3h9h s THR 73 Ca 0.69 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.10 3h9h s THR 73 Cb -0.25 -2.53 0.12 0.00 1.34 0.00 0.00 72.50 71.17 3h9h s THR 73 CO 0.30 0.00 1.75 -0.08 -0.54 0.00 0.00 174.62 176.05 3h9h h GLU 74 N 1.95 1.06 0.00 3.99 4.81 -1.97 -3.35 114.58 121.08 3h9h h GLU 74 Ca -0.38 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 58.57 3h9h h GLU 74 Cb 1.26 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 3h9h h GLU 74 CO 0.62 0.88 -2.06 1.63 -0.73 0.00 0.00 179.01 179.35 3h9h n LYS 75 N -4.36 0.67 -2.30 1.92 4.76 -1.26 -4.95 118.16 112.64 3h9h n LYS 75 Ca 0.06 -0.14 -0.42 0.00 -2.87 0.00 0.00 58.31 54.94 3h9h n LYS 75 Cb 0.18 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 3h9h n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3h9h s ASP 76 N -4.78 6.98 -0.10 4.39 1.01 -1.26 -5.02 116.67 117.88 3h9h s ASP 76 Ca -0.08 2.26 -0.05 0.00 0.71 0.00 0.00 52.55 55.39 3h9h s ASP 76 Cb 0.12 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 3h9h s ASP 76 CO 0.89 -0.49 0.08 -1.61 0.21 0.00 0.00 175.17 174.24 3h9h s GLU 77 N 0.33 3.22 0.14 8.23 2.02 -1.26 -4.80 118.70 126.58 3h9h s GLU 77 Ca 0.57 -0.26 0.08 0.00 0.02 0.00 0.00 54.97 55.38 3h9h s GLU 77 Cb -0.34 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 3h9h s GLU 77 CO 0.34 0.74 -0.18 0.71 0.02 0.00 0.00 175.26 176.90 3h9h s TYR 78 N -0.96 1.72 0.24 1.61 1.51 -1.26 0.58 117.35 120.78 3h9h s TYR 78 Ca 0.14 -0.47 -0.14 0.00 -1.01 0.00 0.00 57.07 55.59 3h9h s TYR 78 Cb -0.12 -0.88 0.00 0.00 -0.11 0.00 0.00 41.96 40.85 3h9h s TYR 78 CO 0.03 0.26 0.49 0.00 -1.11 0.00 0.00 175.55 175.22 3h9h s ALA 79 N -1.85 -0.39 -0.06 3.71 0.00 -0.75 -0.74 121.76 121.67 3h9h s ALA 79 Ca 0.12 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.38 3h9h s ALA 79 Cb -0.07 1.01 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 3h9h s ALA 79 CO 0.05 -0.85 -0.22 0.00 0.00 0.00 0.00 175.76 174.75 3h9h s ARG 81 N 0.02 3.16 -0.10 0.00 3.52 0.43 -0.97 118.95 125.01 3h9h s ARG 81 Ca -0.06 -0.78 0.02 0.00 -0.13 0.00 0.00 55.73 54.78 3h9h s ARG 81 Cb -0.14 -2.58 0.01 0.00 -1.56 0.00 0.00 34.95 30.68 3h9h s ARG 81 CO 0.04 -0.01 -0.15 0.08 -0.81 0.00 0.00 175.30 174.46 3h9h s VAL 82 N 0.85 1.42 0.05 7.11 1.01 0.01 -0.50 120.40 130.35 3h9h s VAL 82 Ca -0.05 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.41 3h9h s VAL 82 Cb -0.15 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 3h9h s VAL 82 CO -0.01 0.42 -0.23 0.21 0.00 0.00 0.00 175.10 175.49 3h9h s ASN 83 N 0.91 2.80 0.11 3.32 2.47 -0.02 -0.95 114.94 123.58 3h9h s ASN 83 Ca -0.09 -0.56 -0.17 0.00 0.42 0.00 0.00 52.86 52.46 3h9h s ASN 83 Cb -0.15 -0.24 0.04 0.00 -1.45 0.00 0.00 41.25 39.45 3h9h s ASN 83 CO -0.00 0.20 0.41 -2.28 -3.72 0.00 0.00 177.10 171.71 3h9h s HIS 84 N -0.82 -0.23 0.59 0.43 5.65 -1.26 -1.10 115.29 118.55 3h9h s HIS 84 Ca 0.09 -0.03 0.28 0.00 0.25 0.00 0.00 55.06 55.66 3h9h s HIS 84 Cb -0.09 0.26 1.57 0.00 -1.18 0.00 0.00 32.58 33.13 3h9h s HIS 84 CO 0.02 -0.68 2.01 -0.24 -0.65 0.00 0.00 174.74 175.20 3h9h h VAL 85 N 2.48 0.45 0.00 0.89 3.04 -1.94 -2.31 116.25 118.85 3h9h h VAL 85 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 3h9h h VAL 85 Cb 1.25 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 3h9h h VAL 85 CO 0.46 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.37 3h9h n THR 86 N -3.80 0.04 -4.34 3.17 -2.24 -1.26 -4.76 114.28 101.09 3h9h n THR 86 Ca 0.05 0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.50 3h9h n THR 86 Cb 0.48 -0.52 -0.13 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.70 2.96 0.40 3.22 1.43 -0.87 -4.99 118.68 118.13 3h9h s LEU 87 Ca 0.24 -0.29 0.20 0.00 -1.03 0.00 0.00 54.13 53.25 3h9h s LEU 87 Cb 0.19 -1.71 0.79 0.00 0.03 0.00 0.00 46.19 45.49 3h9h s LEU 87 CO 0.47 0.10 1.78 0.77 0.23 0.00 0.00 176.35 179.70 3h9h h SER 88 N 7.22 0.00 -5.11 2.29 4.64 -1.85 -3.44 113.55 117.30 3h9h h SER 88 Ca -0.33 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.88 3h9h h SER 88 Cb 1.19 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.12 3h9h h SER 88 CO 0.60 0.32 -0.42 0.00 -0.87 0.00 0.00 176.83 176.46 3h9h s GLN 89 N -3.69 0.72 0.13 4.77 -2.07 -1.26 -5.13 119.66 113.13 3h9h s GLN 89 Ca -0.00 -0.78 -0.35 0.00 -1.82 0.00 0.00 55.36 52.41 3h9h s GLN 89 Cb 0.11 0.29 -0.16 0.00 -1.09 0.00 0.00 33.01 32.17 3h9h s GLN 89 CO 0.67 -0.21 1.39 -2.30 -1.32 0.00 0.00 175.29 173.52 3h9h n PRO 90 N 0.44 1.47 -3.24 9.60 -0.02 -1.26 -4.93 135.00 137.06 3h9h n PRO 90 Ca -0.17 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.45 3h9h n PRO 90 Cb 0.60 -2.19 -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 0.44 4.36 -0.23 -0.52 2.47 -0.13 -4.88 119.74 121.25 3h9h s LYS 91 Ca 0.81 0.56 -0.06 0.00 -1.56 0.00 0.00 55.97 55.72 3h9h s LYS 91 Cb -0.85 -3.44 -0.02 0.00 -1.46 0.00 0.00 37.83 32.05 3h9h s LYS 91 CO 0.45 0.12 0.02 0.42 0.16 0.00 0.00 175.35 176.52 3h9h s ILE 92 N 0.71 3.95 -0.18 5.43 1.01 -1.26 -0.81 121.20 130.05 3h9h s ILE 92 Ca 0.29 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 3h9h s ILE 92 Cb -0.16 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 3h9h s ILE 92 CO 0.12 0.39 -0.06 -0.69 0.00 0.00 0.00 174.94 174.70 3h9h s VAL 93 N 1.41 3.52 0.31 2.92 1.01 -0.14 -4.96 120.40 124.46 3h9h s VAL 93 Ca 0.05 -0.47 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 3h9h s VAL 93 Cb -0.15 -2.56 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 3h9h s VAL 93 CO 0.01 0.47 0.99 -0.54 0.00 0.00 0.00 175.10 176.03 3h9h s LYS 94 N 0.83 4.59 -0.09 2.72 1.02 -1.26 -0.93 119.74 126.62 3h9h s LYS 94 Ca -0.02 1.48 -0.30 0.00 0.02 0.00 0.00 55.97 57.16 3h9h s LYS 94 Cb -0.15 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 3h9h s LYS 94 CO 0.01 0.25 1.30 -0.46 -0.92 0.00 0.00 175.35 175.54 3h9h s TRP 95 N -1.44 2.89 -0.16 3.18 -0.00 0.08 -4.86 118.94 118.63 3h9h s TRP 95 Ca 0.48 0.97 0.00 0.00 -0.00 0.00 0.00 56.10 57.55 3h9h s TRP 95 Cb -0.23 -3.54 0.00 0.00 -0.00 0.00 0.00 33.47 29.70 3h9h s TRP 95 CO 0.29 -1.90 -0.15 0.34 -0.00 0.00 0.00 176.95 175.53 3h9h s ASP 96 N 1.91 3.61 0.43 5.86 -1.08 -1.26 -4.75 116.67 121.40 3h9h s ASP 96 Ca 0.58 -0.49 0.30 0.00 -0.52 0.00 0.00 52.55 52.42 3h9h s ASP 96 Cb -0.25 -1.56 1.31 0.00 -1.46 0.00 0.00 42.92 40.95 3h9h s ASP 96 CO 0.20 0.07 1.89 0.08 0.52 0.00 0.00 175.17 177.94 3h9h h ARG 97 N 7.44 0.00 -0.99 4.34 0.11 -1.95 -1.27 114.38 122.05 3h9h h ARG 97 Ca -0.35 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.16 3h9h h ARG 97 Cb 1.18 0.00 -0.30 0.00 1.11 0.00 0.00 29.97 31.96 3h9h h ARG 97 CO 0.58 0.00 0.72 -3.47 0.10 0.00 0.00 179.97 177.90 3h9h n ASP 98 N -2.70 5.12 0.00 0.08 2.03 -1.26 -4.76 116.55 115.06 3h9h n ASP 98 Ca 0.01 -3.68 0.00 0.00 0.52 0.00 0.00 54.79 51.64 3h9h n ASP 98 Cb 0.23 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 3h9h n ASP 98 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51