#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bze s ILE 1 N 0.00 5.13 -0.13 1.12 1.01 -1.26 -5.06 121.20 122.00 3bze s ILE 1 Ca 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.82 3bze s ILE 1 Cb 0.00 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 3bze s ILE 1 CO 0.00 -0.08 0.07 -1.10 0.00 0.00 0.00 174.94 173.83 3bze s GLN 2 N 2.13 3.47 -0.12 2.79 -0.21 -1.26 -4.65 119.66 121.81 3bze s GLN 2 Ca 0.14 -0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.23 3bze s GLN 2 Cb -0.16 -3.07 0.02 0.00 1.00 0.00 0.00 33.01 30.81 3bze s GLN 2 CO 0.12 0.59 -0.10 1.03 -2.12 0.00 0.00 175.29 174.80 3bze s ARG 3 N -0.52 1.82 0.28 2.91 0.52 -0.47 -4.91 118.95 118.57 3bze s ARG 3 Ca 0.11 -0.38 -0.29 0.00 -0.52 0.00 0.00 55.73 54.64 3bze s ARG 3 Cb -0.12 -1.75 -0.10 0.00 0.52 0.00 0.00 34.95 33.50 3bze s ARG 3 CO 0.02 -0.22 1.38 0.99 0.02 0.00 0.00 175.30 177.49 3bze s THR 4 N 1.51 2.71 0.27 0.02 2.01 -1.26 -1.66 115.64 119.24 3bze s THR 4 Ca 0.03 0.64 -0.29 0.00 0.31 0.00 0.00 61.69 62.37 3bze s THR 4 Cb -0.13 -3.41 -0.09 0.00 0.01 0.00 0.00 72.50 68.88 3bze s THR 4 CO -0.08 0.12 1.17 -2.16 -0.69 0.00 0.00 174.62 172.98 3bze s PRO 5 N -0.90 4.55 0.21 4.92 0.04 -1.26 -4.32 135.00 138.24 3bze s PRO 5 Ca 0.55 1.91 -0.17 0.00 0.04 0.00 0.00 61.00 63.33 3bze s PRO 5 Cb -0.41 -3.17 -0.08 0.00 0.04 0.00 0.00 34.50 30.88 3bze s PRO 5 CO 0.47 0.06 0.66 0.15 0.04 0.00 0.00 177.00 178.38 3bze s LYS 6 N -1.25 4.11 -0.05 4.56 1.02 0.18 -4.88 119.74 123.44 3bze s LYS 6 Ca 0.47 0.70 0.02 0.00 0.02 0.00 0.00 55.97 57.18 3bze s LYS 6 Cb -0.34 -2.83 0.02 0.00 -0.52 0.00 0.00 37.83 34.16 3bze s LYS 6 CO 0.43 0.39 -0.07 0.42 -0.92 0.00 0.00 175.35 175.59 3bze s ILE 7 N -1.57 0.75 -0.06 2.17 1.01 -1.26 -1.71 121.20 120.52 3bze s ILE 7 Ca 0.43 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.84 3bze s ILE 7 Cb -0.15 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.61 3bze s ILE 7 CO 0.20 0.27 -0.10 -1.10 0.00 0.00 0.00 174.94 174.20 3bze s GLN 8 N 0.78 1.52 -0.14 2.79 -0.21 -0.67 -4.98 119.66 118.73 3bze s GLN 8 Ca -0.12 -0.34 -0.00 0.00 0.02 0.00 0.00 55.36 54.91 3bze s GLN 8 Cb -0.15 -1.30 -0.01 0.00 1.00 0.00 0.00 33.01 32.55 3bze s GLN 8 CO 0.02 -0.01 -0.13 0.08 -2.12 0.00 0.00 175.29 173.12 3bze s VAL 9 N 0.78 2.98 0.23 1.09 1.01 -1.26 -1.13 120.40 124.11 3bze s VAL 9 Ca -0.13 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 3bze s VAL 9 Cb -0.15 -2.26 0.06 0.00 0.00 0.00 0.00 36.38 34.02 3bze s VAL 9 CO 0.02 0.51 0.91 -0.72 0.00 0.00 0.00 175.10 175.82 3bze s TYR 10 N 0.56 -0.04 0.09 5.22 1.13 -0.56 -4.53 117.35 119.21 3bze s TYR 10 Ca -0.08 -0.40 0.02 0.00 -1.41 0.00 0.00 57.07 55.21 3bze s TYR 10 Cb -0.16 0.71 -0.04 0.00 -1.10 0.00 0.00 41.96 41.37 3bze s TYR 10 CO 0.04 -1.07 0.14 -1.54 -2.51 0.00 0.00 175.55 170.60 3bze s SER 11 N -3.08 5.81 0.54 -0.18 1.04 -1.26 0.37 113.70 116.93 3bze s SER 11 Ca 0.15 0.07 0.34 0.00 0.48 0.00 0.00 55.95 56.99 3bze s SER 11 Cb -0.03 -1.64 1.47 0.00 0.10 0.00 0.00 66.02 65.91 3bze s SER 11 CO 0.06 0.15 2.00 -0.09 0.98 0.00 0.00 173.24 176.34 3bze h ARG 12 N 3.06 0.00 -3.84 4.02 2.43 -1.69 -3.44 114.38 114.91 3bze h ARG 12 Ca -0.46 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.56 3bze h ARG 12 Cb 1.17 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 30.53 3bze h ARG 12 CO 0.69 0.00 -0.60 -1.01 -1.51 0.00 0.00 179.97 177.54 3bze s HIS 13 N -3.69 0.22 -0.24 2.20 3.76 -1.26 -5.00 115.29 111.27 3bze s HIS 13 Ca 0.01 -0.48 -0.41 0.00 -0.15 0.00 0.00 55.06 54.02 3bze s HIS 13 Cb 0.09 -0.16 -0.17 0.00 1.11 0.00 0.00 32.58 33.45 3bze s HIS 13 CO 0.51 -0.28 1.58 -2.30 -0.85 0.00 0.00 174.74 173.40 3bze n PRO 14 N 1.18 0.81 -1.87 8.40 -0.02 -1.26 -4.79 135.00 137.45 3bze n PRO 14 Ca -0.21 0.30 -0.42 0.00 -2.02 0.00 0.00 63.50 61.15 3bze n PRO 14 Cb 0.57 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 32.11 3bze n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bze s ALA 15 N 2.57 3.75 -0.10 3.55 0.00 -1.26 -5.01 121.76 125.25 3bze s ALA 15 Ca 0.97 1.47 -0.03 0.00 0.00 0.00 0.00 51.96 54.36 3bze s ALA 15 Cb -1.16 -3.62 0.05 0.00 0.00 0.00 0.00 23.12 18.39 3bze s ALA 15 CO 0.65 -0.87 0.15 -2.00 0.00 0.00 0.00 175.76 173.69 3bze s GLU 16 N 0.09 0.05 -0.08 0.00 2.12 -1.26 -5.11 118.70 114.51 3bze s GLU 16 Ca 0.65 0.45 -0.36 0.00 0.36 0.00 0.00 54.97 56.07 3bze s GLU 16 Cb -0.46 -0.54 -0.14 0.00 0.26 0.00 0.00 34.13 33.26 3bze s GLU 16 CO 0.41 -0.38 1.72 0.09 -0.54 0.00 0.00 175.26 176.56 3bze n ASN 17 N 5.32 2.86 0.00 -1.70 3.02 -1.26 -1.42 115.26 122.08 3bze n ASN 17 Ca -0.05 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 3bze n ASN 17 Cb 0.50 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 3bze n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bze n GLY 18 N 3.94 2.91 3.76 7.41 0.00 -0.52 -4.98 105.19 117.71 3bze n GLY 18 Ca 0.22 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 3bze n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bze s LYS 19 N 0.00 4.75 1.25 1.61 -0.14 -0.50 -4.93 119.74 121.79 3bze s LYS 19 Ca 0.00 1.55 -0.16 0.00 -1.36 0.00 0.00 55.97 55.99 3bze s LYS 19 Cb 0.00 -3.18 0.31 0.00 -1.68 0.00 0.00 37.83 33.29 3bze s LYS 19 CO 0.00 0.40 1.00 0.45 -0.76 0.00 0.00 175.35 176.43 3bze s SER 20 N -1.17 0.29 0.00 2.83 0.15 -1.26 -4.12 113.70 110.41 3bze s SER 20 Ca 0.43 1.21 0.00 0.00 0.70 0.00 0.00 55.95 58.29 3bze s SER 20 Cb -0.26 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 3bze s SER 20 CO 0.33 -4.58 0.00 -3.20 1.20 0.00 0.00 173.24 166.99 3bze n ASN 21 N -5.14 0.00 -4.14 5.45 2.85 0.13 -4.91 115.26 109.50 3bze n ASN 21 Ca 0.06 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.29 3bze n ASN 21 Cb 0.57 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.43 3bze n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3bze s PHE 22 N -2.47 1.52 -0.18 1.20 0.08 -1.26 -1.30 117.98 115.57 3bze s PHE 22 Ca 0.00 -0.33 -0.13 0.00 0.12 0.00 0.00 56.93 56.59 3bze s PHE 22 Cb 0.00 -1.00 -0.05 0.00 -0.57 0.00 0.00 43.02 41.40 3bze s PHE 22 CO 0.00 -0.07 0.24 -1.17 -0.10 0.00 0.00 175.22 174.13 3bze s LEU 23 N -0.24 4.22 0.06 -0.37 2.96 0.33 -1.65 118.68 123.98 3bze s LEU 23 Ca 0.03 0.41 0.09 0.00 -0.22 0.00 0.00 54.13 54.44 3bze s LEU 23 Cb -0.08 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.29 3bze s LEU 23 CO 0.00 0.11 -0.25 0.20 -1.32 0.00 0.00 176.35 175.09 3bze s ASN 24 N 0.51 3.06 -0.13 3.68 0.01 0.16 -1.92 114.94 120.31 3bze s ASN 24 Ca 0.14 -0.61 -0.03 0.00 -0.71 0.00 0.00 52.86 51.66 3bze s ASN 24 Cb -0.12 -0.26 0.04 0.00 0.41 0.00 0.00 41.25 41.32 3bze s ASN 24 CO 0.02 0.23 0.03 0.00 -1.51 0.00 0.00 177.10 175.87 3bze s TYR 26 N 1.97 3.03 -0.12 0.00 5.04 -0.28 -0.72 117.35 126.28 3bze s TYR 26 Ca 0.02 -0.62 0.00 0.00 -2.44 0.00 0.00 57.07 54.04 3bze s TYR 26 Cb -0.15 -2.17 -0.02 0.00 0.35 0.00 0.00 41.96 39.98 3bze s TYR 26 CO -0.07 -0.41 -0.13 0.14 -1.34 0.00 0.00 175.55 173.74 3bze s VAL 27 N 1.47 3.06 0.26 3.14 -7.23 -0.43 -1.67 120.40 119.00 3bze s VAL 27 Ca 0.05 -0.67 -0.10 0.00 -1.81 0.00 0.00 61.98 59.45 3bze s VAL 27 Cb -0.15 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 3bze s VAL 27 CO 0.01 0.54 0.44 -0.94 -0.31 0.00 0.00 175.10 174.83 3bze s SER 28 N 0.17 0.06 -1.23 4.85 1.04 -0.69 -0.55 113.70 117.34 3bze s SER 28 Ca -0.07 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.30 3bze s SER 28 Cb -0.15 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3bze s SER 28 CO 0.05 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.75 3bze n GLY 29 N -0.39 1.26 3.81 7.32 0.00 -0.66 0.49 105.19 117.02 3bze n GLY 29 Ca -0.01 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 3bze n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bze s PHE 30 N -2.38 3.19 -0.26 1.61 -0.71 -1.21 -4.33 117.98 113.89 3bze s PHE 30 Ca 0.00 0.02 -0.15 0.00 -1.04 0.00 0.00 56.93 55.76 3bze s PHE 30 Cb 0.00 -1.55 0.08 0.00 -1.21 0.00 0.00 43.02 40.33 3bze s PHE 30 CO 0.00 0.52 0.64 -1.58 -1.34 0.00 0.00 175.22 173.46 3bze s HIS 31 N -1.67 -0.98 1.18 3.49 2.46 -0.66 -1.41 115.29 117.70 3bze s HIS 31 Ca 0.31 1.98 -0.18 0.00 0.47 0.00 0.00 55.06 57.64 3bze s HIS 31 Cb -0.11 0.57 0.28 0.00 -0.13 0.00 0.00 32.58 33.19 3bze s HIS 31 CO 0.24 -0.50 1.10 -1.25 -2.47 0.00 0.00 174.74 171.86 3bze s PRO 32 N 1.61 -1.06 0.17 2.88 0.04 -1.26 -1.37 135.00 136.01 3bze s PRO 32 Ca -0.10 0.01 0.25 0.00 0.04 0.00 0.00 61.00 61.21 3bze s PRO 32 Cb -0.06 -1.61 0.91 0.00 0.04 0.00 0.00 34.50 33.78 3bze s PRO 32 CO -0.19 -3.62 1.77 -1.13 0.04 0.00 0.00 177.00 173.87 3bze n SER 33 N -4.71 0.59 -4.70 6.66 3.41 -1.26 -4.78 113.62 108.83 3bze n SER 33 Ca 0.12 0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 58.89 3bze n SER 33 Cb 0.59 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 3bze n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3bze s ASP 34 N -4.11 6.60 -0.18 4.04 1.01 -1.26 -4.94 116.67 117.83 3bze s ASP 34 Ca 0.10 2.55 -0.29 0.00 0.71 0.00 0.00 52.55 55.62 3bze s ASP 34 Cb 0.13 -2.58 0.11 0.00 1.01 0.00 0.00 42.92 41.59 3bze s ASP 34 CO 0.52 -0.85 0.93 -0.51 0.21 0.00 0.00 175.17 175.47 3bze s ILE 35 N 1.86 0.00 -0.13 0.77 2.07 -1.26 -4.64 121.20 119.87 3bze s ILE 35 Ca 0.72 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.95 3bze s ILE 35 Cb -0.42 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.15 3bze s ILE 35 CO 0.32 0.00 -0.09 -1.61 -1.91 0.00 0.00 174.94 171.64 3bze s GLU 36 N -0.71 3.41 -0.04 3.50 2.02 -0.48 -4.99 118.70 121.40 3bze s GLU 36 Ca -0.02 -0.61 -0.01 0.00 0.02 0.00 0.00 54.97 54.34 3bze s GLU 36 Cb -0.02 -2.72 0.03 0.00 0.10 0.00 0.00 34.13 31.52 3bze s GLU 36 CO 0.01 0.28 0.03 0.08 0.02 0.00 0.00 175.26 175.67 3bze s VAL 37 N 0.22 0.11 0.03 2.63 1.01 -1.26 -1.20 120.40 121.94 3bze s VAL 37 Ca -0.06 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.22 3bze s VAL 37 Cb -0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 3bze s VAL 37 CO 0.04 0.19 -0.20 -1.81 0.00 0.00 0.00 175.10 173.32 3bze s ASP 38 N 1.73 2.36 -0.15 3.32 1.01 -0.64 -4.99 116.67 119.30 3bze s ASP 38 Ca 0.00 -0.49 -0.07 0.00 0.71 0.00 0.00 52.55 52.70 3bze s ASP 38 Cb -0.13 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 3bze s ASP 38 CO -0.03 0.16 0.09 -0.76 0.21 0.00 0.00 175.17 174.84 3bze s LEU 39 N -1.06 4.03 0.08 1.23 1.43 -1.26 -1.14 118.68 121.98 3bze s LEU 39 Ca 0.07 0.23 0.08 0.00 -1.03 0.00 0.00 54.13 53.48 3bze s LEU 39 Cb -0.08 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3bze s LEU 39 CO 0.01 0.27 -0.17 -0.76 0.23 0.00 0.00 176.35 175.94 3bze s LEU 40 N -0.20 2.71 -0.23 1.79 1.43 0.77 -0.93 118.68 124.02 3bze s LEU 40 Ca 0.09 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 3bze s LEU 40 Cb -0.12 -1.57 0.05 0.00 0.03 0.00 0.00 46.19 44.58 3bze s LEU 40 CO 0.01 0.21 -0.13 -0.75 0.23 0.00 0.00 176.35 175.92 3bze s LYS 41 N -1.86 2.41 -1.58 1.70 2.20 -0.36 -2.27 119.74 119.97 3bze s LYS 41 Ca 0.17 -1.11 -0.16 0.00 -0.36 0.00 0.00 55.97 54.51 3bze s LYS 41 Cb -0.11 -2.72 0.13 0.00 -1.51 0.00 0.00 37.83 33.63 3bze s LYS 41 CO 0.09 -0.45 0.77 0.09 -0.36 0.00 0.00 175.35 175.49 3bze n ASN 42 N 4.53 -3.72 0.00 1.43 4.13 0.11 -0.51 115.26 121.23 3bze n ASN 42 Ca -0.16 -0.84 0.00 0.00 1.68 0.00 0.00 54.58 55.26 3bze n ASN 42 Cb 0.45 -3.03 0.00 0.00 -1.54 0.00 0.00 39.78 35.66 3bze n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bze n GLY 43 N -1.40 3.19 3.71 7.41 0.00 -1.26 -5.02 105.19 111.81 3bze n GLY 43 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3bze n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bze s GLU 44 N -0.44 4.34 0.40 1.61 2.02 0.33 -5.00 118.70 121.97 3bze s GLU 44 Ca 0.00 0.59 -0.25 0.00 0.02 0.00 0.00 54.97 55.33 3bze s GLU 44 Cb 0.00 -3.46 -0.11 0.00 0.10 0.00 0.00 34.13 30.65 3bze s GLU 44 CO 0.00 0.06 0.96 -2.13 0.02 0.00 0.00 175.26 174.18 3bze n ARG 45 N 3.94 1.27 -3.60 1.61 0.63 -1.26 -1.23 116.66 118.01 3bze n ARG 45 Ca -0.05 0.45 -0.37 0.00 -0.92 0.00 0.00 57.85 56.97 3bze n ARG 45 Cb 0.51 -1.96 -0.10 0.00 0.45 0.00 0.00 32.46 31.36 3bze n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3bze s ILE 46 N -1.27 5.32 1.07 5.15 1.01 -0.11 -4.78 121.20 127.60 3bze s ILE 46 Ca 0.63 0.26 -0.16 0.00 0.00 0.00 0.00 60.65 61.38 3bze s ILE 46 Cb -0.58 -3.54 0.22 0.00 0.01 0.00 0.00 42.46 38.57 3bze s ILE 46 CO 0.57 0.31 1.13 -1.61 0.00 0.00 0.00 174.94 175.34 3bze s GLU 47 N 1.27 -0.15 -0.89 2.79 2.02 -1.26 -4.54 118.70 117.95 3bze s GLU 47 Ca 0.09 0.13 -0.03 0.00 0.02 0.00 0.00 54.97 55.18 3bze s GLU 47 Cb -0.14 -1.70 -0.04 0.00 0.10 0.00 0.00 34.13 32.35 3bze s GLU 47 CO 0.06 -3.04 0.76 1.63 0.02 0.00 0.00 175.26 174.70 3bze n LYS 48 N -4.32 -2.92 -4.06 1.61 5.02 -1.26 -5.02 118.16 107.20 3bze n LYS 48 Ca 0.10 0.70 -0.31 0.00 -2.02 0.00 0.00 58.31 56.77 3bze n LYS 48 Cb 0.59 -5.07 -0.16 0.00 -0.02 0.00 0.00 35.03 30.36 3bze n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bze s VAL 49 N -3.31 1.81 0.66 -0.18 1.01 -1.26 -4.66 120.40 114.47 3bze s VAL 49 Ca 0.26 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3bze s VAL 49 Cb -0.03 -1.68 0.09 0.00 0.00 0.00 0.00 36.38 34.76 3bze s VAL 49 CO 0.60 0.47 0.91 -1.61 0.00 0.00 0.00 175.10 175.47 3bze s GLU 50 N 1.39 2.00 -0.28 2.72 2.02 -0.56 -4.88 118.70 121.11 3bze s GLU 50 Ca 0.04 -1.04 -0.19 0.00 0.02 0.00 0.00 54.97 53.81 3bze s GLU 50 Cb -0.13 -2.40 0.08 0.00 0.10 0.00 0.00 34.13 31.77 3bze s GLU 50 CO -0.12 -1.17 0.70 -3.38 0.02 0.00 0.00 175.26 171.32 3bze s HIS 51 N -2.99 -0.97 1.06 1.61 -3.43 -1.26 -1.20 115.29 108.11 3bze s HIS 51 Ca 0.63 2.06 -0.12 0.00 -0.80 0.00 0.00 55.06 56.83 3bze s HIS 51 Cb -0.07 0.51 0.22 0.00 -1.43 0.00 0.00 32.58 31.82 3bze s HIS 51 CO 0.42 -0.48 1.08 -1.54 -2.00 0.00 0.00 174.74 172.22 3bze s SER 52 N 1.21 1.80 0.27 7.38 1.04 -0.23 -4.95 113.70 120.22 3bze s SER 52 Ca -0.07 1.82 -0.29 0.00 0.48 0.00 0.00 55.95 57.89 3bze s SER 52 Cb -0.05 -2.43 -0.10 0.00 0.10 0.00 0.00 66.02 63.55 3bze s SER 52 CO -0.13 -3.74 1.29 -1.81 0.98 0.00 0.00 173.24 169.83 3bze s ASP 53 N -2.58 6.88 -0.44 7.02 1.01 -1.26 -4.65 116.67 122.65 3bze s ASP 53 Ca 0.68 2.51 -0.29 0.00 0.71 0.00 0.00 52.55 56.16 3bze s ASP 53 Cb -0.24 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 40.97 3bze s ASP 53 CO 0.62 -0.49 2.35 -0.11 0.21 0.00 0.00 175.17 177.75 3bze n LEU 54 N 1.69 2.31 -4.69 1.23 7.94 -1.26 -4.89 117.00 119.33 3bze n LEU 54 Ca 0.03 -0.07 -0.31 0.00 -1.11 0.00 0.00 56.01 54.55 3bze n LEU 54 Cb 0.42 -1.44 -0.08 0.00 0.53 0.00 0.00 43.42 42.85 3bze n LEU 54 CO 0.58 -1.09 -0.24 -0.55 -1.11 0.00 0.00 177.39 174.98 3bze s SER 55 N 9.89 3.77 0.16 1.96 0.15 -1.23 -5.01 113.70 123.39 3bze s SER 55 Ca 1.05 -1.63 -0.12 0.00 0.70 0.00 0.00 55.95 55.95 3bze s SER 55 Cb -0.47 0.43 0.01 0.00 -1.71 0.00 0.00 66.02 64.28 3bze s SER 55 CO 0.36 -0.83 0.35 0.72 1.20 0.00 0.00 173.24 175.04 3bze s PHE 56 N -2.95 0.19 0.51 3.44 -0.12 -1.26 -1.45 117.98 116.35 3bze s PHE 56 Ca 0.13 -0.56 0.07 0.00 -0.05 0.00 0.00 56.93 56.52 3bze s PHE 56 Cb 0.03 0.09 0.07 0.00 -0.63 0.00 0.00 43.02 42.58 3bze s PHE 56 CO 0.07 -0.76 0.57 -1.13 -0.05 0.00 0.00 175.22 173.92 3bze n SER 57 N -0.24 2.21 -0.40 1.98 3.41 -0.49 -4.94 113.62 115.15 3bze n SER 57 Ca -0.09 -2.53 0.32 0.00 -0.26 0.00 0.00 58.87 56.31 3bze n SER 57 Cb 0.63 -0.23 0.60 0.00 -0.26 0.00 0.00 64.21 64.95 3bze n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3bze h LYS 58 N 0.00 0.17 -0.27 4.33 1.57 -2.03 0.42 116.57 120.75 3bze h LYS 58 Ca -0.28 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3bze h LYS 58 Cb 1.14 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3bze h LYS 58 CO 0.41 0.11 0.00 -0.40 -0.57 0.00 0.00 179.45 179.00 3bze n ASP 59 N -4.72 1.35 0.00 0.86 5.75 -1.26 -4.90 116.55 113.62 3bze n ASP 59 Ca 0.34 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 3bze n ASP 59 Cb 1.26 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 41.17 3bze n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3bze n TRP 60 N 0.20 0.00 -2.51 2.11 7.02 0.15 -5.00 117.44 119.41 3bze n TRP 60 Ca 0.08 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.17 3bze n TRP 60 Cb 0.22 -0.21 -0.04 0.00 -2.42 0.00 0.00 31.31 28.85 3bze n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3bze s SER 61 N -3.46 7.09 0.59 -0.99 1.04 -1.26 -4.68 113.70 112.02 3bze s SER 61 Ca 0.00 2.17 -0.08 0.00 0.48 0.00 0.00 55.95 58.52 3bze s SER 61 Cb 0.00 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.49 3bze s SER 61 CO 0.00 -0.26 0.94 -0.36 0.98 0.00 0.00 173.24 174.53 3bze s PHE 62 N -1.35 3.46 -0.15 5.02 0.08 -0.50 -1.40 117.98 123.14 3bze s PHE 62 Ca 0.49 0.94 -0.14 0.00 0.12 0.00 0.00 56.93 58.35 3bze s PHE 62 Cb -0.28 -2.67 0.04 0.00 -0.57 0.00 0.00 43.02 39.54 3bze s PHE 62 CO 0.35 -0.69 0.40 1.52 -0.10 0.00 0.00 175.22 176.70 3bze s TYR 63 N -3.04 -0.44 0.01 0.36 -0.85 -0.53 -1.65 117.35 111.22 3bze s TYR 63 Ca 0.53 1.07 -0.02 0.00 -0.52 0.00 0.00 57.07 58.13 3bze s TYR 63 Cb -0.11 0.15 -0.01 0.00 0.38 0.00 0.00 41.96 42.38 3bze s TYR 63 CO 0.49 -0.21 0.02 -0.51 -1.52 0.00 0.00 175.55 173.81 3bze s LEU 64 N 0.24 2.00 -0.20 -3.49 1.43 0.28 -3.55 118.68 115.39 3bze s LEU 64 Ca -0.00 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 3bze s LEU 64 Cb -0.03 0.20 -0.02 0.00 0.03 0.00 0.00 46.19 46.37 3bze s LEU 64 CO 0.00 -0.21 -0.02 -0.22 0.23 0.00 0.00 176.35 176.13 3bze s LEU 65 N -0.94 3.09 -0.09 1.79 2.96 -1.26 -1.32 118.68 122.91 3bze s LEU 65 Ca -0.10 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3bze s LEU 65 Cb -0.06 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 3bze s LEU 65 CO -0.00 0.04 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.68 3bze s TYR 66 N 1.12 2.91 0.05 5.38 1.51 0.10 -1.06 117.35 127.35 3bze s TYR 66 Ca 0.02 -0.17 -0.22 0.00 -1.01 0.00 0.00 57.07 55.69 3bze s TYR 66 Cb -0.15 -1.77 0.05 0.00 -0.11 0.00 0.00 41.96 39.98 3bze s TYR 66 CO 0.01 0.15 0.50 1.52 -1.11 0.00 0.00 175.55 176.62 3bze s TYR 67 N -0.38 -0.40 -0.02 2.71 1.13 -0.34 -0.60 117.35 119.46 3bze s TYR 67 Ca 0.05 0.43 -0.13 0.00 -1.41 0.00 0.00 57.07 56.01 3bze s TYR 67 Cb -0.12 0.32 0.02 0.00 -1.10 0.00 0.00 41.96 41.08 3bze s TYR 67 CO 0.02 -0.63 0.28 -0.08 -2.51 0.00 0.00 175.55 172.63 3bze s THR 68 N -2.45 0.06 0.83 -3.49 -1.32 -0.81 -1.50 115.64 106.97 3bze s THR 68 Ca -0.05 -0.47 -0.11 0.00 -1.21 0.00 0.00 61.69 59.85 3bze s THR 68 Cb -0.01 -0.57 0.09 0.00 -1.51 0.00 0.00 72.50 70.51 3bze s THR 68 CO -0.02 -0.26 1.09 -0.70 -2.21 0.00 0.00 174.62 172.53 3bze s GLU 69 N -1.21 1.77 0.00 7.08 2.12 -1.26 -0.52 118.70 126.68 3bze s GLU 69 Ca -0.13 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.04 3bze s GLU 69 Cb -0.05 -1.87 0.00 0.00 0.26 0.00 0.00 34.13 32.47 3bze s GLU 69 CO 0.03 -1.89 0.00 1.97 -0.54 0.00 0.00 175.26 174.83 3bze n PHE 70 N -3.65 0.00 -3.81 5.30 -1.74 -0.42 -4.72 117.46 108.42 3bze n PHE 70 Ca 0.07 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.67 3bze n PHE 70 Cb 0.55 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.40 3bze n PHE 70 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 3bze s THR 71 N -2.00 1.13 0.67 1.97 2.01 -1.26 -0.70 115.64 117.46 3bze s THR 71 Ca 0.00 -1.37 -0.17 0.00 0.31 0.00 0.00 61.69 60.46 3bze s THR 71 Cb 0.00 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 3bze s THR 71 CO 0.00 -0.49 1.09 -0.81 -0.69 0.00 0.00 174.62 173.72 3bze n PRO 72 N 4.77 0.79 -4.16 4.92 -0.04 -1.26 -4.77 135.00 135.25 3bze n PRO 72 Ca -0.04 0.32 -0.10 0.00 -0.04 0.00 0.00 63.50 63.64 3bze n PRO 72 Cb 0.43 -2.32 -0.10 0.00 -0.04 0.00 0.00 33.50 31.47 3bze n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3bze s THR 73 N -1.60 0.07 0.14 0.52 2.01 -1.26 -1.44 115.64 114.08 3bze s THR 73 Ca 0.78 -1.93 -0.13 0.00 0.31 0.00 0.00 61.69 60.71 3bze s THR 73 Cb -0.37 -2.19 0.01 0.00 0.01 0.00 0.00 72.50 69.96 3bze s THR 73 CO 0.46 -0.31 1.62 -0.08 -0.69 0.00 0.00 174.62 175.62 3bze h GLU 74 N 2.78 0.79 0.15 4.92 4.81 -1.96 -3.34 114.58 122.74 3bze h GLU 74 Ca -0.35 -0.22 -0.31 0.00 -0.13 0.00 0.00 59.36 58.35 3bze h GLU 74 Cb 1.22 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3bze h GLU 74 CO 0.57 0.81 -1.50 1.57 -0.73 0.00 0.00 179.01 179.73 3bze h LYS 75 N 0.66 0.32 -6.72 1.92 2.10 -2.02 -3.47 116.57 109.37 3bze h LYS 75 Ca 0.14 -0.54 -0.53 0.00 -2.00 0.00 0.00 60.65 57.72 3bze h LYS 75 Cb 0.41 0.20 0.05 0.00 -0.90 0.00 0.00 32.23 31.99 3bze h LYS 75 CO 0.01 1.21 0.77 -0.51 -2.00 0.00 0.00 179.45 178.93 3bze s ASP 76 N -7.15 6.67 -0.20 7.07 1.01 -1.25 -5.01 116.67 117.81 3bze s ASP 76 Ca -0.09 2.63 -0.05 0.00 0.71 0.00 0.00 52.55 55.74 3bze s ASP 76 Cb 0.06 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 3bze s ASP 76 CO 0.87 -0.70 0.01 -0.70 0.21 0.00 0.00 175.17 174.86 3bze s GLU 77 N -0.11 3.69 0.21 8.23 2.12 -1.26 -4.73 118.70 126.85 3bze s GLU 77 Ca 0.61 -0.49 0.08 0.00 0.36 0.00 0.00 54.97 55.53 3bze s GLU 77 Cb -0.42 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 3bze s GLU 77 CO 0.41 0.07 0.04 0.71 -0.54 0.00 0.00 175.26 175.95 3bze s TYR 78 N 0.87 2.88 0.17 5.30 2.02 -1.26 0.07 117.35 127.40 3bze s TYR 78 Ca 0.01 -0.14 -0.24 0.00 -0.37 0.00 0.00 57.07 56.34 3bze s TYR 78 Cb -0.14 -1.35 0.06 0.00 -0.40 0.00 0.00 41.96 40.13 3bze s TYR 78 CO 0.02 0.54 0.72 0.00 -1.57 0.00 0.00 175.55 175.27 3bze s ALA 79 N -1.94 -1.54 -0.13 3.71 0.00 -0.96 -0.06 121.76 120.84 3bze s ALA 79 Ca 0.30 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.56 3bze s ALA 79 Cb -0.08 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 3bze s ALA 79 CO 0.20 -0.87 -0.14 0.00 0.00 0.00 0.00 175.76 174.96 3bze s ARG 81 N 0.37 3.47 -0.07 0.00 3.52 -0.29 -1.41 118.95 124.54 3bze s ARG 81 Ca -0.11 -0.60 0.03 0.00 -0.13 0.00 0.00 55.73 54.93 3bze s ARG 81 Cb -0.16 -2.94 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 3bze s ARG 81 CO 0.06 -0.02 -0.18 0.08 -0.81 0.00 0.00 175.30 174.43 3bze s VAL 82 N 1.02 1.57 -0.11 7.11 1.01 0.17 -1.62 120.40 129.55 3bze s VAL 82 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.27 3bze s VAL 82 Cb -0.15 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.86 3bze s VAL 82 CO 0.00 0.45 -0.21 0.21 0.00 0.00 0.00 175.10 175.55 3bze s ASN 83 N 0.39 2.91 -0.00 3.32 2.47 -0.34 -0.35 114.94 123.33 3bze s ASN 83 Ca -0.14 -0.54 -0.13 0.00 0.42 0.00 0.00 52.86 52.48 3bze s ASN 83 Cb -0.16 -1.33 0.02 0.00 -1.45 0.00 0.00 41.25 38.33 3bze s ASN 83 CO 0.05 0.11 0.27 -2.28 -3.72 0.00 0.00 177.10 171.53 3bze s HIS 84 N 0.57 -0.11 -1.37 0.43 5.65 -1.26 -1.38 115.29 117.81 3bze s HIS 84 Ca -0.14 0.12 0.00 0.00 0.25 0.00 0.00 55.06 55.30 3bze s HIS 84 Cb -0.17 0.06 0.00 0.00 -1.18 0.00 0.00 32.58 31.29 3bze s HIS 84 CO 0.04 -0.38 0.49 1.55 -0.65 0.00 0.00 174.74 175.79 3bze n VAL 85 N 1.21 0.32 0.32 0.89 3.14 -1.26 0.12 118.33 123.06 3bze n VAL 85 Ca -0.21 0.10 0.05 0.00 -2.96 0.00 0.00 64.34 61.32 3bze n VAL 85 Cb 0.56 -1.10 0.06 0.00 -1.06 0.00 0.00 33.84 32.30 3bze n VAL 85 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3bze n THR 86 N -0.99 0.17 -3.99 1.55 -2.24 -1.26 -4.94 114.28 102.59 3bze n THR 86 Ca 0.00 -0.59 -0.35 0.00 -2.27 0.00 0.00 64.05 60.84 3bze n THR 86 Cb 0.02 1.09 -0.13 0.00 -2.10 0.00 0.00 70.33 69.21 3bze n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3bze s LEU 87 N -0.87 3.08 0.00 3.22 1.43 0.12 -4.96 118.68 120.69 3bze s LEU 87 Ca 0.13 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 3bze s LEU 87 Cb 0.09 -1.79 0.21 0.00 0.03 0.00 0.00 46.19 44.73 3bze s LEU 87 CO 0.13 0.02 1.00 -1.54 0.23 0.00 0.00 176.35 176.19 3bze n SER 88 N 4.57 0.00 -3.63 2.29 3.41 -1.26 -4.62 113.62 114.37 3bze n SER 88 Ca -0.18 0.28 -0.06 0.00 -0.26 0.00 0.00 58.87 58.66 3bze n SER 88 Cb 0.51 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.07 3bze n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bze s GLN 89 N -2.66 0.30 0.05 4.33 -2.07 -1.26 -5.13 119.66 113.21 3bze s GLN 89 Ca 0.04 0.23 -0.35 0.00 -1.82 0.00 0.00 55.36 53.46 3bze s GLN 89 Cb 0.03 0.14 -0.14 0.00 -1.09 0.00 0.00 33.01 31.95 3bze s GLN 89 CO 0.07 -0.06 1.61 -0.35 -1.32 0.00 0.00 175.29 175.24 3bze n PRO 90 N 1.40 1.87 -3.28 9.60 -0.04 -1.26 -4.92 135.00 138.38 3bze n PRO 90 Ca -0.09 0.68 -0.39 0.00 -0.04 0.00 0.00 63.50 63.66 3bze n PRO 90 Cb 0.57 -2.43 -0.06 0.00 -0.04 0.00 0.00 33.50 31.54 3bze n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3bze s LYS 91 N 1.74 4.23 -0.17 0.54 2.20 0.52 -4.82 119.74 123.98 3bze s LYS 91 Ca 0.85 0.66 -0.02 0.00 -0.36 0.00 0.00 55.97 57.10 3bze s LYS 91 Cb -0.77 -3.30 -0.01 0.00 -1.51 0.00 0.00 37.83 32.24 3bze s LYS 91 CO 0.45 0.48 -0.10 0.42 -0.36 0.00 0.00 175.35 176.25 3bze s ILE 92 N -0.54 3.16 -0.18 5.43 1.01 -1.26 -0.66 121.20 128.16 3bze s ILE 92 Ca 0.29 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.35 3bze s ILE 92 Cb -0.18 -2.37 0.03 0.00 0.01 0.00 0.00 42.46 39.94 3bze s ILE 92 CO 0.17 0.49 -0.15 0.54 0.00 0.00 0.00 174.94 175.98 3bze s VAL 93 N 0.83 1.83 0.65 2.92 0.11 -0.50 -4.98 120.40 121.26 3bze s VAL 93 Ca -0.03 -0.93 -0.12 0.00 -2.93 0.00 0.00 61.98 57.97 3bze s VAL 93 Cb -0.15 -1.75 -0.01 0.00 -1.53 0.00 0.00 36.38 32.93 3bze s VAL 93 CO 0.01 0.37 1.05 -1.59 -3.33 0.00 0.00 175.10 171.61 3bze s LYS 94 N 1.36 3.21 0.08 1.54 -2.85 -1.26 -0.82 119.74 121.00 3bze s LYS 94 Ca 0.02 0.93 -0.24 0.00 -1.00 0.00 0.00 55.97 55.68 3bze s LYS 94 Cb -0.14 -2.03 -0.06 0.00 -2.06 0.00 0.00 37.83 33.54 3bze s LYS 94 CO -0.10 -0.88 0.74 -0.46 0.10 0.00 0.00 175.35 174.75 3bze s TRP 95 N -2.98 3.80 -0.21 1.78 -0.00 0.92 -4.86 118.94 117.38 3bze s TRP 95 Ca 0.58 1.49 0.01 0.00 -0.00 0.00 0.00 56.10 58.17 3bze s TRP 95 Cb -0.13 -2.76 0.05 0.00 -0.00 0.00 0.00 33.47 30.63 3bze s TRP 95 CO 0.51 0.39 -0.07 0.34 -0.00 0.00 0.00 176.95 178.12 3bze s ASP 96 N -0.51 3.53 0.38 5.86 -1.08 -1.26 -4.75 116.67 118.84 3bze s ASP 96 Ca 0.36 -0.99 0.23 0.00 -0.52 0.00 0.00 52.55 51.63 3bze s ASP 96 Cb -0.21 -1.16 1.25 0.00 -1.46 0.00 0.00 42.92 41.34 3bze s ASP 96 CO 0.23 -0.19 1.68 0.08 0.52 0.00 0.00 175.17 177.49 3bze h ARG 97 N 7.99 0.00 -0.37 4.34 0.11 -1.96 -0.69 114.38 123.80 3bze h ARG 97 Ca -0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.86 3bze h ARG 97 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 3bze h ARG 97 CO 0.43 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.25 3bze n ASP 98 N -2.34 2.57 0.00 0.08 8.00 -1.26 -4.81 116.55 118.79 3bze n ASP 98 Ca -0.02 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.58 3bze n ASP 98 Cb 0.11 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3bze n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04