#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 4.88 -0.12 1.12 1.01 -1.26 -5.09 121.20 121.75 3bze s ILE 1 Ca 0.00 0.74 -0.07 0.00 0.00 0.00 0.00 60.65 61.33 3bze s ILE 1 Cb 0.00 -3.71 0.05 0.00 0.01 0.00 0.00 42.46 38.81 3bze s ILE 1 CO 0.00 0.19 0.28 -1.10 0.00 0.00 0.00 174.94 174.31 3bze s GLN 2 N -2.11 0.26 -0.02 2.79 -0.21 -1.26 -4.64 119.66 114.47 3bze s GLN 2 Ca 0.39 0.55 0.07 0.00 0.02 0.00 0.00 55.36 56.40 3bze s GLN 2 Cb -0.14 -0.06 -0.02 0.00 1.00 0.00 0.00 33.01 33.79 3bze s GLN 2 CO 0.19 -0.14 -0.23 1.03 -2.12 0.00 0.00 175.29 174.02 3bze s ARG 3 N 1.11 1.90 0.28 2.91 0.52 -0.78 -4.91 118.95 119.98 3bze s ARG 3 Ca -0.08 -0.84 -0.28 0.00 -0.52 0.00 0.00 55.73 54.00 3bze s ARG 3 Cb -0.09 -1.84 -0.09 0.00 0.52 0.00 0.00 34.95 33.45 3bze s ARG 3 CO -0.08 0.50 0.98 0.99 0.02 0.00 0.00 175.30 177.72 3bze s THR 4 N -0.56 3.95 0.07 0.02 2.01 -1.26 -1.97 115.64 117.91 3bze s THR 4 Ca 0.09 1.83 -0.30 0.00 0.31 0.00 0.00 61.69 63.62 3bze s THR 4 Cb -0.09 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 3bze s THR 4 CO -0.01 0.34 1.09 -2.16 -0.69 0.00 0.00 174.62 173.19 3bze s PRO 5 N -1.57 4.53 0.23 4.92 0.04 -1.26 -4.30 135.00 137.58 3bze s PRO 5 Ca 0.46 1.63 -0.22 0.00 0.04 0.00 0.00 61.00 62.91 3bze s PRO 5 Cb -0.25 -3.37 -0.08 0.00 0.04 0.00 0.00 34.50 30.84 3bze s PRO 5 CO 0.31 -0.08 0.77 0.15 0.04 0.00 0.00 177.00 178.19 3bze s LYS 6 N 0.63 4.36 -0.03 4.56 1.02 0.33 -4.88 119.74 125.74 3bze s LYS 6 Ca 0.54 1.00 0.03 0.00 0.02 0.00 0.00 55.97 57.56 3bze s LYS 6 Cb -0.27 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 3bze s LYS 6 CO 0.30 0.40 -0.12 0.42 -0.92 0.00 0.00 175.35 175.44 3bze s ILE 7 N -1.48 0.98 -0.05 2.17 1.01 -1.26 -1.66 121.20 120.91 3bze s ILE 7 Ca 0.43 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.61 3bze s ILE 7 Cb -0.18 -0.85 0.02 0.00 0.01 0.00 0.00 42.46 41.46 3bze s ILE 7 CO 0.22 0.29 -0.04 -1.10 0.00 0.00 0.00 174.94 174.32 3bze s GLN 8 N 0.11 0.83 -0.12 2.79 -0.21 -0.85 -5.00 119.66 117.21 3bze s GLN 8 Ca -0.03 -0.08 -0.01 0.00 0.02 0.00 0.00 55.36 55.26 3bze s GLN 8 Cb -0.09 -0.89 -0.02 0.00 1.00 0.00 0.00 33.01 33.01 3bze s GLN 8 CO 0.01 -0.12 -0.08 0.08 -2.12 0.00 0.00 175.29 173.06 3bze s VAL 9 N 1.09 3.51 0.09 1.09 1.01 -1.26 -1.17 120.40 124.76 3bze s VAL 9 Ca -0.08 -0.51 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 3bze s VAL 9 Cb -0.14 -2.48 0.09 0.00 0.00 0.00 0.00 36.38 33.84 3bze s VAL 9 CO -0.01 0.53 1.09 -0.72 0.00 0.00 0.00 175.10 176.00 3bze s TYR 10 N 0.01 -0.08 0.03 5.22 1.13 -0.37 -4.60 117.35 118.69 3bze s TYR 10 Ca -0.02 -0.15 -0.01 0.00 -1.41 0.00 0.00 57.07 55.48 3bze s TYR 10 Cb -0.14 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 3bze s TYR 10 CO 0.03 -0.62 0.20 -1.54 -2.51 0.00 0.00 175.55 171.11 3bze s SER 11 N -3.00 6.37 0.07 -0.18 1.04 -1.26 0.15 113.70 116.89 3bze s SER 11 Ca 0.14 0.32 -0.31 0.00 0.48 0.00 0.00 55.95 56.57 3bze s SER 11 Cb 0.01 -1.98 -0.15 0.00 0.10 0.00 0.00 66.02 63.99 3bze s SER 11 CO 0.00 0.22 1.49 -0.09 0.98 0.00 0.00 173.24 175.83 3bze h ARG 12 N 3.45 -0.86 -6.23 4.02 9.65 -0.96 -3.44 114.38 120.01 3bze h ARG 12 Ca -0.47 0.06 -0.55 0.00 -1.10 0.00 0.00 59.98 57.92 3bze h ARG 12 Cb 1.17 0.20 -0.08 0.00 -1.39 0.00 0.00 29.97 29.87 3bze h ARG 12 CO 0.72 -0.57 -0.60 -1.01 2.80 0.00 0.00 179.97 181.31 3bze s HIS 13 N -5.48 2.94 0.13 2.20 3.76 -1.26 -5.03 115.29 112.55 3bze s HIS 13 Ca -0.16 -0.13 -0.34 0.00 -0.15 0.00 0.00 55.06 54.28 3bze s HIS 13 Cb 0.04 -1.36 -0.17 0.00 1.11 0.00 0.00 32.58 32.20 3bze s HIS 13 CO 0.52 0.55 1.07 -2.30 -0.85 0.00 0.00 174.74 173.73 3bze n PRO 14 N -0.71 0.74 -2.18 8.40 -0.02 -1.26 -4.84 135.00 135.13 3bze n PRO 14 Ca -0.08 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.24 3bze n PRO 14 Cb 0.57 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 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 -0.20 3.58 -0.12 3.55 0.00 -1.26 -5.01 121.76 122.30 3bze s ALA 15 Ca 0.77 1.06 -0.04 0.00 0.00 0.00 0.00 51.96 53.75 3bze s ALA 15 Cb -0.97 -3.55 0.05 0.00 0.00 0.00 0.00 23.12 18.65 3bze s ALA 15 CO 0.53 -0.69 0.07 -2.00 0.00 0.00 0.00 175.76 173.68 3bze s GLU 16 N 1.45 0.05 -0.35 0.00 2.12 -1.26 -5.11 118.70 115.60 3bze s GLU 16 Ca 0.65 0.07 -0.41 0.00 0.36 0.00 0.00 54.97 55.64 3bze s GLU 16 Cb -0.35 -1.36 -0.16 0.00 0.26 0.00 0.00 34.13 32.51 3bze s GLU 16 CO 0.29 -0.54 1.83 0.09 -0.54 0.00 0.00 175.26 176.40 3bze n ASN 17 N 5.27 2.00 0.00 -1.70 3.02 -1.26 -0.57 115.26 122.02 3bze n ASN 17 Ca -0.06 0.95 0.00 0.00 -0.03 0.00 0.00 54.58 55.45 3bze n ASN 17 Cb 0.49 -1.09 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 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 4.88 3.09 3.71 7.41 0.00 -0.67 -5.01 105.19 118.60 3bze n GLY 18 Ca 0.32 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.45 4.46 0.61 1.61 -0.14 0.26 -4.95 119.74 121.15 3bze s LYS 19 Ca 0.00 1.00 -0.19 0.00 -1.36 0.00 0.00 55.97 55.42 3bze s LYS 19 Cb 0.00 -3.45 -0.03 0.00 -1.68 0.00 0.00 37.83 32.67 3bze s LYS 19 CO 0.00 0.03 1.20 0.45 -0.76 0.00 0.00 175.35 176.28 3bze n SER 20 N 3.82 1.80 -0.85 2.83 2.88 -1.26 -4.34 113.62 118.50 3bze n SER 20 Ca 0.00 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 3bze n SER 20 Cb 0.51 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 3bze n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3bze n ASN 21 N -1.33 0.00 -3.98 -3.46 2.85 0.14 -5.00 115.26 104.48 3bze n ASN 21 Ca 0.14 -0.85 -0.23 0.00 -0.11 0.00 0.00 54.58 53.52 3bze n ASN 21 Cb 0.47 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.32 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 -8.06 1.22 -0.20 1.20 0.08 -1.26 -1.15 117.98 109.81 3bze s PHE 22 Ca 0.00 -0.43 -0.19 0.00 0.12 0.00 0.00 56.93 56.42 3bze s PHE 22 Cb 0.00 -0.94 -0.03 0.00 -0.57 0.00 0.00 43.02 41.48 3bze s PHE 22 CO 0.00 -0.25 0.56 -1.17 -0.10 0.00 0.00 175.22 174.26 3bze s LEU 23 N 0.77 4.14 0.03 -0.37 2.96 -0.25 -0.21 118.68 125.76 3bze s LEU 23 Ca -0.13 0.73 0.06 0.00 -0.22 0.00 0.00 54.13 54.58 3bze s LEU 23 Cb -0.15 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.73 3bze s LEU 23 CO 0.02 -0.22 -0.17 0.20 -1.32 0.00 0.00 176.35 174.87 3bze s ASN 24 N 1.18 3.88 -0.19 3.68 0.01 0.39 -2.53 114.94 121.36 3bze s ASN 24 Ca 0.26 -0.38 -0.02 0.00 -0.71 0.00 0.00 52.86 52.01 3bze s ASN 24 Cb -0.16 -0.67 0.06 0.00 0.41 0.00 0.00 41.25 40.89 3bze s ASN 24 CO 0.10 0.27 0.01 0.00 -1.51 0.00 0.00 177.10 175.97 3bze s TYR 26 N 1.75 3.16 -0.11 0.00 5.04 -0.31 -0.33 117.35 126.54 3bze s TYR 26 Ca -0.01 -0.49 -0.03 0.00 -2.44 0.00 0.00 57.07 54.09 3bze s TYR 26 Cb -0.17 -2.33 -0.03 0.00 0.35 0.00 0.00 41.96 39.77 3bze s TYR 26 CO -0.07 -0.41 0.00 0.14 -1.34 0.00 0.00 175.55 173.86 3bze s VAL 27 N 1.62 4.29 0.26 3.14 -7.23 -0.41 -2.01 120.40 120.06 3bze s VAL 27 Ca 0.05 -0.24 -0.14 0.00 -1.81 0.00 0.00 61.98 59.84 3bze s VAL 27 Cb -0.17 -2.84 -0.00 0.00 0.56 0.00 0.00 36.38 33.94 3bze s VAL 27 CO 0.06 0.56 0.52 -0.94 -0.31 0.00 0.00 175.10 174.99 3bze s SER 28 N -0.44 -0.10 -0.96 4.85 1.04 -0.67 -0.90 113.70 116.52 3bze s SER 28 Ca 0.08 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.61 3bze s SER 28 Cb -0.12 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3bze s SER 28 CO 0.02 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.67 3bze n GLY 29 N -0.40 1.06 3.85 7.32 0.00 -0.72 -0.51 105.19 115.79 3bze n GLY 29 Ca -0.02 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.28 2.96 -0.28 1.61 -0.71 -1.20 -4.27 117.98 113.81 3bze s PHE 30 Ca 0.00 -0.26 -0.17 0.00 -1.04 0.00 0.00 56.93 55.46 3bze s PHE 30 Cb 0.00 -1.71 0.10 0.00 -1.21 0.00 0.00 43.02 40.20 3bze s PHE 30 CO 0.00 0.26 0.80 -1.58 -1.34 0.00 0.00 175.22 173.36 3bze s HIS 31 N -2.26 -0.87 1.14 3.49 2.46 -0.83 -1.37 115.29 117.05 3bze s HIS 31 Ca 0.39 1.76 -0.19 0.00 0.47 0.00 0.00 55.06 57.49 3bze s HIS 31 Cb -0.06 0.51 0.29 0.00 -0.13 0.00 0.00 32.58 33.18 3bze s HIS 31 CO 0.26 -0.43 0.90 -0.35 -2.47 0.00 0.00 174.74 172.65 3bze n PRO 32 N 3.93 -3.38 0.12 2.88 -0.04 -1.26 -1.87 135.00 135.38 3bze n PRO 32 Ca -0.19 -1.45 0.13 0.00 -0.04 0.00 0.00 63.50 61.95 3bze n PRO 32 Cb 0.58 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.89 3bze n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3bze h SER 33 N -2.79 0.00 -2.50 3.54 4.64 -1.99 -3.45 113.55 110.99 3bze h SER 33 Ca -0.35 -0.02 -0.54 0.00 -0.47 0.00 0.00 61.79 60.41 3bze h SER 33 Cb 1.12 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3bze h SER 33 CO 0.23 0.01 1.14 -1.81 -0.87 0.00 0.00 176.83 175.53 3bze s ASP 34 N -4.73 6.54 -0.23 4.97 1.01 -1.26 -4.96 116.67 118.01 3bze s ASP 34 Ca 0.10 2.51 -0.26 0.00 0.71 0.00 0.00 52.55 55.61 3bze s ASP 34 Cb 0.11 -2.54 0.08 0.00 1.01 0.00 0.00 42.92 41.58 3bze s ASP 34 CO 0.62 -0.99 0.76 -0.51 0.21 0.00 0.00 175.17 175.27 3bze s ILE 35 N 3.93 0.00 -0.10 0.77 2.07 -1.26 -4.61 121.20 122.00 3bze s ILE 35 Ca 0.81 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.06 3bze s ILE 35 Cb -0.40 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.17 3bze s ILE 35 CO 0.36 0.00 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.66 3bze s GLU 36 N 0.03 3.09 -0.06 3.50 2.02 -0.50 -5.00 118.70 121.78 3bze s GLU 36 Ca -0.02 -0.66 -0.00 0.00 0.02 0.00 0.00 54.97 54.31 3bze s GLU 36 Cb -0.04 -2.58 0.03 0.00 0.10 0.00 0.00 34.13 31.64 3bze s GLU 36 CO 0.02 0.38 -0.02 0.08 0.02 0.00 0.00 175.26 175.74 3bze s VAL 37 N -0.08 0.43 -0.06 2.63 1.01 -1.26 -0.94 120.40 122.13 3bze s VAL 37 Ca -0.01 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.05 3bze s VAL 37 Cb -0.14 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 3bze s VAL 37 CO 0.03 0.24 -0.25 -1.81 0.00 0.00 0.00 175.10 173.32 3bze s ASP 38 N 1.52 3.08 -0.18 3.32 1.01 -0.17 -4.98 116.67 120.27 3bze s ASP 38 Ca -0.02 -0.51 -0.09 0.00 0.71 0.00 0.00 52.55 52.64 3bze s ASP 38 Cb -0.13 -0.84 -0.05 0.00 1.01 0.00 0.00 42.92 42.91 3bze s ASP 38 CO -0.03 0.25 0.13 -0.76 0.21 0.00 0.00 175.17 174.97 3bze s LEU 39 N -0.17 4.25 0.20 1.23 1.43 -1.26 -0.68 118.68 123.69 3bze s LEU 39 Ca -0.04 0.29 0.10 0.00 -1.03 0.00 0.00 54.13 53.46 3bze s LEU 39 Cb -0.14 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3bze s LEU 39 CO 0.04 0.24 -0.17 -0.76 0.23 0.00 0.00 176.35 175.93 3bze s LEU 40 N -0.01 2.69 -0.26 1.79 1.43 0.44 -1.44 118.68 123.32 3bze s LEU 40 Ca 0.10 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 3bze s LEU 40 Cb -0.11 -1.36 0.08 0.00 0.03 0.00 0.00 46.19 44.83 3bze s LEU 40 CO -0.00 0.10 0.06 -0.75 0.23 0.00 0.00 176.35 175.99 3bze s LYS 41 N -2.90 0.76 -1.24 1.70 2.20 0.16 -2.40 119.74 118.02 3bze s LYS 41 Ca 0.24 -0.83 -0.07 0.00 -0.36 0.00 0.00 55.97 54.95 3bze s LYS 41 Cb -0.08 -2.06 0.01 0.00 -1.51 0.00 0.00 37.83 34.19 3bze s LYS 41 CO 0.13 -0.84 1.08 0.09 -0.36 0.00 0.00 175.35 175.45 3bze n ASN 42 N 4.91 -5.24 0.00 1.43 5.03 0.91 -0.65 115.26 121.66 3bze n ASN 42 Ca -0.05 -0.52 0.00 0.00 0.87 0.00 0.00 54.58 54.87 3bze n ASN 42 Cb 0.44 -4.77 0.00 0.00 -1.02 0.00 0.00 39.78 34.43 3bze n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bze n GLY 43 N -1.75 2.39 3.74 7.41 0.00 -1.26 -4.98 105.19 110.74 3bze n GLY 43 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3bze n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bze s GLU 44 N -0.02 4.67 -0.84 1.61 2.56 0.18 -4.98 118.70 121.88 3bze s GLU 44 Ca 0.00 1.65 -0.24 0.00 0.00 0.00 0.00 54.97 56.39 3bze s GLU 44 Cb 0.00 -3.27 0.06 0.00 2.00 0.00 0.00 34.13 32.91 3bze s GLU 44 CO 0.00 0.21 1.26 0.50 -0.56 0.00 0.00 175.26 176.67 3bze s ARG 45 N -0.70 3.37 0.31 4.30 3.52 -1.26 0.37 118.95 128.86 3bze s ARG 45 Ca 0.46 -0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 54.92 3bze s ARG 45 Cb -0.28 -4.68 -0.13 0.00 -1.56 0.00 0.00 34.95 28.29 3bze s ARG 45 CO 0.35 -2.06 1.31 -0.89 -0.81 0.00 0.00 175.30 173.20 3bze n ILE 46 N 6.34 1.72 -4.24 4.11 5.41 -0.52 -4.99 119.36 127.19 3bze n ILE 46 Ca 0.15 -0.43 -0.23 0.00 1.00 0.00 0.00 62.75 63.24 3bze n ILE 46 Cb 0.49 -1.53 -0.06 0.00 -0.71 0.00 0.00 39.64 37.83 3bze n ILE 46 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3bze s GLU 47 N -1.47 2.45 -0.50 0.38 2.02 -1.26 -4.64 118.70 115.68 3bze s GLU 47 Ca 0.59 -1.34 -0.03 0.00 0.02 0.00 0.00 54.97 54.21 3bze s GLU 47 Cb -0.59 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.38 3bze s GLU 47 CO 0.59 0.36 0.44 1.63 0.02 0.00 0.00 175.26 178.29 3bze n LYS 48 N -0.98 -2.96 -3.30 1.61 5.02 -1.26 -5.02 118.16 111.27 3bze n LYS 48 Ca -0.07 0.31 -0.38 0.00 -2.02 0.00 0.00 58.31 56.15 3bze n LYS 48 Cb 0.59 -3.76 -0.06 0.00 -0.02 0.00 0.00 35.03 31.78 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 -3.12 5.02 0.29 -0.18 1.01 -1.26 -4.90 120.40 117.26 3bze s VAL 49 Ca 0.22 1.07 0.07 0.00 0.00 0.00 0.00 61.98 63.34 3bze s VAL 49 Cb -0.09 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 3bze s VAL 49 CO 0.27 0.42 0.21 -1.61 0.00 0.00 0.00 175.10 174.40 3bze s GLU 50 N -0.12 2.76 0.07 2.72 2.02 -0.50 -4.91 118.70 120.75 3bze s GLU 50 Ca 0.28 -1.21 -0.04 0.00 0.02 0.00 0.00 54.97 54.02 3bze s GLU 50 Cb -0.17 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.56 3bze s GLU 50 CO 0.14 0.26 0.07 -3.38 0.02 0.00 0.00 175.26 172.37 3bze s HIS 51 N -2.23 0.35 0.94 1.61 -3.43 -1.26 -0.14 115.29 111.13 3bze s HIS 51 Ca 0.36 -0.84 -0.13 0.00 -0.80 0.00 0.00 55.06 53.65 3bze s HIS 51 Cb -0.07 -0.24 0.15 0.00 -1.43 0.00 0.00 32.58 31.00 3bze s HIS 51 CO 0.25 -0.45 1.15 -1.54 -2.00 0.00 0.00 174.74 172.15 3bze s SER 52 N -2.87 3.27 0.08 7.38 1.04 -0.44 -4.98 113.70 117.18 3bze s SER 52 Ca 0.06 0.89 -0.30 0.00 0.48 0.00 0.00 55.95 57.07 3bze s SER 52 Cb 0.06 -1.40 -0.05 0.00 0.10 0.00 0.00 66.02 64.74 3bze s SER 52 CO -0.10 -2.69 0.97 -1.81 0.98 0.00 0.00 173.24 170.58 3bze s ASP 53 N -4.08 7.46 -0.31 7.02 1.01 -1.26 -4.77 116.67 121.74 3bze s ASP 53 Ca 0.65 1.75 -0.39 0.00 0.71 0.00 0.00 52.55 55.28 3bze s ASP 53 Cb -0.14 -2.58 -0.14 0.00 1.01 0.00 0.00 42.92 41.07 3bze s ASP 53 CO 0.54 -0.12 1.91 -0.11 0.21 0.00 0.00 175.17 177.60 3bze n LEU 54 N 3.11 2.25 -4.38 1.23 7.94 -1.26 -4.95 117.00 120.94 3bze n LEU 54 Ca 0.03 0.85 -0.21 0.00 -1.11 0.00 0.00 56.01 55.57 3bze n LEU 54 Cb 0.50 -1.17 -0.08 0.00 0.53 0.00 0.00 43.42 43.19 3bze n LEU 54 CO 0.51 -0.52 -0.17 -0.55 -1.11 0.00 0.00 177.39 175.56 3bze s SER 55 N 4.86 2.01 0.16 1.96 0.15 -1.24 -5.04 113.70 116.57 3bze s SER 55 Ca 1.03 -1.67 -0.13 0.00 0.70 0.00 0.00 55.95 55.88 3bze s SER 55 Cb -1.02 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 63.79 3bze s SER 55 CO 0.60 -0.97 0.37 0.72 1.20 0.00 0.00 173.24 175.17 3bze s PHE 56 N -3.42 0.13 0.57 3.44 -0.12 -1.26 -1.65 117.98 115.67 3bze s PHE 56 Ca 0.33 -0.49 0.08 0.00 -0.05 0.00 0.00 56.93 56.80 3bze s PHE 56 Cb 0.03 0.13 0.07 0.00 -0.63 0.00 0.00 43.02 42.62 3bze s PHE 56 CO 0.20 -0.77 0.63 -1.54 -0.05 0.00 0.00 175.22 173.69 3bze s SER 57 N -2.91 4.88 0.53 1.98 1.04 -0.68 -4.95 113.70 113.59 3bze s SER 57 Ca 0.12 -1.04 0.37 0.00 0.48 0.00 0.00 55.95 55.87 3bze s SER 57 Cb 0.02 0.39 1.54 0.00 0.10 0.00 0.00 66.02 68.06 3bze s SER 57 CO -0.03 -1.26 1.76 0.11 0.98 0.00 0.00 173.24 174.80 3bze h LYS 58 N 0.41 0.04 -0.28 4.02 1.79 -2.03 0.36 116.57 120.88 3bze h LYS 58 Ca -0.33 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 3bze h LYS 58 Cb 1.30 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 3bze h LYS 58 CO 0.48 0.02 0.00 -0.40 -1.08 0.00 0.00 179.45 178.47 3bze n ASP 59 N -4.21 1.52 0.00 0.86 5.75 -1.26 -4.91 116.55 114.31 3bze n ASP 59 Ca 0.29 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 3bze n ASP 59 Cb 1.34 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 41.24 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 0.32 0.00 -2.62 2.11 7.02 0.12 -5.01 117.44 119.38 3bze n TRP 60 Ca 0.10 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.18 3bze n TRP 60 Cb 0.25 -0.19 -0.05 0.00 -2.42 0.00 0.00 31.31 28.90 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 -3.26 7.42 0.69 -0.99 1.04 -1.26 -4.69 113.70 112.66 3bze s SER 61 Ca 0.00 2.01 -0.11 0.00 0.48 0.00 0.00 55.95 58.33 3bze s SER 61 Cb 0.00 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.52 3bze s SER 61 CO 0.00 -0.07 1.06 -0.36 0.98 0.00 0.00 173.24 174.85 3bze s PHE 62 N -0.57 3.20 -0.12 5.02 0.08 -0.47 -1.69 117.98 123.43 3bze s PHE 62 Ca 0.46 1.33 -0.14 0.00 0.12 0.00 0.00 56.93 58.69 3bze s PHE 62 Cb -0.27 -2.89 0.04 0.00 -0.57 0.00 0.00 43.02 39.32 3bze s PHE 62 CO 0.34 -1.19 0.39 1.52 -0.10 0.00 0.00 175.22 176.18 3bze s TYR 63 N -3.11 -0.40 -0.01 0.36 -0.85 -0.66 -1.76 117.35 110.92 3bze s TYR 63 Ca 0.58 0.94 -0.07 0.00 -0.52 0.00 0.00 57.07 58.00 3bze s TYR 63 Cb -0.13 0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.36 3bze s TYR 63 CO 0.54 -0.25 0.14 -0.51 -1.52 0.00 0.00 175.55 173.95 3bze s LEU 64 N -0.08 1.53 -0.18 -3.49 1.43 -0.08 -3.66 118.68 114.15 3bze s LEU 64 Ca -0.03 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3bze s LEU 64 Cb -0.03 0.63 -0.01 0.00 0.03 0.00 0.00 46.19 46.81 3bze s LEU 64 CO 0.01 -0.30 -0.08 -0.22 0.23 0.00 0.00 176.35 175.99 3bze s LEU 65 N -1.05 2.81 -0.01 1.79 2.96 -1.26 -1.29 118.68 122.62 3bze s LEU 65 Ca -0.11 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 3bze s LEU 65 Cb -0.06 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 3bze s LEU 65 CO 0.01 0.06 0.00 -0.31 -1.32 0.00 0.00 176.35 174.79 3bze s TYR 66 N 0.99 3.08 0.24 5.38 1.51 0.55 -1.33 117.35 127.77 3bze s TYR 66 Ca -0.01 0.09 -0.16 0.00 -1.01 0.00 0.00 57.07 55.98 3bze s TYR 66 Cb -0.15 -1.68 0.01 0.00 -0.11 0.00 0.00 41.96 40.04 3bze s TYR 66 CO -0.01 0.46 0.54 1.52 -1.11 0.00 0.00 175.55 176.96 3bze s TYR 67 N -1.07 0.11 -0.13 2.71 1.13 0.81 -0.73 117.35 120.18 3bze s TYR 67 Ca 0.19 -0.49 -0.30 0.00 -1.41 0.00 0.00 57.07 55.06 3bze s TYR 67 Cb -0.11 0.36 0.11 0.00 -1.10 0.00 0.00 41.96 41.22 3bze s TYR 67 CO 0.10 -1.02 0.93 -0.08 -2.51 0.00 0.00 175.55 172.96 3bze s THR 68 N -3.96 0.00 0.30 -3.49 -1.32 -1.05 -1.40 115.64 104.72 3bze s THR 68 Ca 0.16 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.36 3bze s THR 68 Cb -0.02 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.88 3bze s THR 68 CO 0.05 0.00 1.07 -0.70 -2.21 0.00 0.00 174.62 172.83 3bze s GLU 69 N -1.26 4.57 0.18 7.08 -6.30 -1.26 -1.09 118.70 120.62 3bze s GLU 69 Ca -0.03 1.71 -0.20 0.00 -2.50 0.00 0.00 54.97 53.95 3bze s GLU 69 Cb -0.00 -3.07 0.05 0.00 0.00 0.00 0.00 34.13 31.11 3bze s GLU 69 CO 0.02 0.17 0.56 -0.59 0.02 0.00 0.00 175.26 175.45 3bze s PHE 70 N -1.27 -0.33 -0.30 5.30 -0.71 -0.30 -4.84 117.98 115.53 3bze s PHE 70 Ca 0.47 0.04 0.02 0.00 -1.04 0.00 0.00 56.93 56.42 3bze s PHE 70 Cb -0.29 0.49 0.09 0.00 -1.21 0.00 0.00 43.02 42.09 3bze s PHE 70 CO 0.37 -0.89 0.02 0.99 -1.34 0.00 0.00 175.22 174.37 3bze s THR 71 N -3.81 1.77 0.32 -4.49 2.01 -1.26 -0.69 115.64 109.48 3bze s THR 71 Ca 0.05 -1.79 -0.29 0.00 0.31 0.00 0.00 61.69 59.97 3bze s THR 71 Cb -0.01 -2.20 -0.10 0.00 0.01 0.00 0.00 72.50 70.20 3bze s THR 71 CO -0.08 -0.44 1.32 -2.16 -0.69 0.00 0.00 174.62 172.57 3bze s PRO 72 N 1.20 4.35 0.28 4.92 0.04 -1.26 -4.83 135.00 139.71 3bze s PRO 72 Ca 0.05 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.31 3bze s PRO 72 Cb -0.19 -3.08 -0.00 0.00 0.04 0.00 0.00 34.50 31.27 3bze s PRO 72 CO -0.11 -0.22 0.02 2.41 0.04 0.00 0.00 177.00 179.14 3bze n THR 73 N 1.07 0.00 -0.02 1.26 -1.04 -1.26 -1.66 114.28 112.63 3bze n THR 73 Ca 0.01 -1.39 -0.07 0.00 -2.04 0.00 0.00 64.05 60.57 3bze n THR 73 Cb 0.42 0.32 -0.13 0.00 -1.82 0.00 0.00 70.33 69.12 3bze n THR 73 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3bze n GLU 74 N -0.69 0.63 0.04 -2.82 1.02 -1.26 -4.33 120.64 113.22 3bze n GLU 74 Ca -0.11 0.25 -0.15 0.00 -0.02 0.00 0.00 57.16 57.13 3bze n GLU 74 Cb 0.37 -1.77 -0.14 0.00 -0.02 0.00 0.00 31.44 29.88 3bze n GLU 74 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3bze h LYS 75 N 0.00 0.19 -6.90 3.49 2.10 -2.02 -3.47 116.57 109.96 3bze h LYS 75 Ca -0.28 -0.32 -0.50 0.00 -2.00 0.00 0.00 60.65 57.55 3bze h LYS 75 Cb 1.93 0.12 0.03 0.00 -0.90 0.00 0.00 32.23 33.41 3bze h LYS 75 CO 0.07 1.00 0.47 -0.51 -2.00 0.00 0.00 179.45 178.47 3bze s ASP 76 N -6.79 6.88 -0.04 7.07 1.01 -1.26 -5.06 116.67 118.47 3bze s ASP 76 Ca -0.09 2.23 0.06 0.00 0.71 0.00 0.00 52.55 55.46 3bze s ASP 76 Cb 0.07 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 3bze s ASP 76 CO 0.83 -0.42 -0.23 -1.61 0.21 0.00 0.00 175.17 173.95 3bze s GLU 77 N -2.04 2.39 0.15 8.23 2.02 -1.26 -4.70 118.70 123.49 3bze s GLU 77 Ca 0.52 -0.87 0.09 0.00 0.02 0.00 0.00 54.97 54.73 3bze s GLU 77 Cb -0.29 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 31.74 3bze s GLU 77 CO 0.36 0.49 -0.21 0.71 0.02 0.00 0.00 175.26 176.62 3bze s TYR 78 N -0.42 1.98 0.30 1.61 2.02 -1.26 -0.06 117.35 121.52 3bze s TYR 78 Ca 0.04 -0.42 -0.20 0.00 -0.37 0.00 0.00 57.07 56.12 3bze s TYR 78 Cb -0.12 -1.02 0.03 0.00 -0.40 0.00 0.00 41.96 40.44 3bze s TYR 78 CO 0.01 0.33 0.73 0.00 -1.57 0.00 0.00 175.55 175.06 3bze s ALA 79 N -1.59 -1.12 -0.04 3.71 0.00 -1.01 -0.10 121.76 121.62 3bze s ALA 79 Ca 0.14 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.77 3bze s ALA 79 Cb -0.08 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 3bze s ALA 79 CO 0.07 -1.03 -0.23 0.00 0.00 0.00 0.00 175.76 174.57 3bze s ARG 81 N -0.28 3.08 -0.09 0.00 3.52 0.14 -1.12 118.95 124.21 3bze s ARG 81 Ca 0.01 -0.79 0.04 0.00 -0.13 0.00 0.00 55.73 54.87 3bze s ARG 81 Cb -0.11 -2.66 -0.01 0.00 -1.56 0.00 0.00 34.95 30.61 3bze s ARG 81 CO 0.02 -0.19 -0.23 0.08 -0.81 0.00 0.00 175.30 174.17 3bze s VAL 82 N 1.28 2.18 -0.05 7.11 1.01 0.67 -1.00 120.40 131.60 3bze s VAL 82 Ca 0.04 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.08 3bze s VAL 82 Cb -0.13 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 3bze s VAL 82 CO -0.10 0.56 -0.23 0.21 0.00 0.00 0.00 175.10 175.54 3bze s ASN 83 N 0.14 2.82 0.01 3.32 3.84 -0.12 -1.18 114.94 123.76 3bze s ASN 83 Ca -0.12 -0.47 -0.16 0.00 0.21 0.00 0.00 52.86 52.32 3bze s ASN 83 Cb -0.16 -0.77 0.03 0.00 -0.55 0.00 0.00 41.25 39.80 3bze s ASN 83 CO 0.07 0.22 0.34 -2.28 -2.79 0.00 0.00 177.10 172.66 3bze s HIS 84 N -0.12 -0.20 0.66 0.43 5.65 -1.26 -1.41 115.29 119.04 3bze s HIS 84 Ca -0.03 0.24 0.32 0.00 0.25 0.00 0.00 55.06 55.84 3bze s HIS 84 Cb -0.13 0.13 1.74 0.00 -1.18 0.00 0.00 32.58 33.14 3bze s HIS 84 CO 0.03 -0.45 1.99 -0.24 -0.65 0.00 0.00 174.74 175.42 3bze h VAL 85 N 3.54 0.04 -0.04 0.89 3.04 -1.96 0.17 116.25 121.93 3bze h VAL 85 Ca -0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 3bze h VAL 85 Cb 1.18 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 3bze h VAL 85 CO 0.42 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.33 3bze n THR 86 N -3.00 0.03 -3.84 3.17 -2.24 -1.26 -4.82 114.28 102.32 3bze n THR 86 Ca -0.01 -0.29 -0.36 0.00 -2.27 0.00 0.00 64.05 61.12 3bze n THR 86 Cb 0.35 0.56 -0.13 0.00 -2.10 0.00 0.00 70.33 69.01 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 -1.94 3.29 0.57 3.22 1.43 0.58 -4.95 118.68 120.88 3bze s LEU 87 Ca 0.37 -0.24 0.26 0.00 -1.03 0.00 0.00 54.13 53.49 3bze s LEU 87 Cb 0.20 -1.87 1.62 0.00 0.03 0.00 0.00 46.19 46.18 3bze s LEU 87 CO 0.32 -0.01 2.15 0.77 0.23 0.00 0.00 176.35 179.81 3bze h SER 88 N 8.08 0.00 -5.00 2.29 4.64 -1.88 -3.43 113.55 118.25 3bze h SER 88 Ca -0.39 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.85 3bze h SER 88 Cb 1.17 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.07 3bze h SER 88 CO 0.59 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 176.51 3bze s GLN 89 N -4.74 0.89 0.15 4.77 0.00 -1.26 -5.14 119.66 114.33 3bze s GLN 89 Ca -0.05 -0.05 -0.34 0.00 -0.00 0.00 0.00 55.36 54.93 3bze s GLN 89 Cb 0.16 0.41 -0.16 0.00 0.00 0.00 0.00 33.01 33.42 3bze s GLN 89 CO 0.58 -0.28 1.22 -0.35 0.00 0.00 0.00 175.29 176.47 3bze n PRO 90 N 0.93 1.17 -3.81 9.60 -0.04 -1.26 -4.95 135.00 136.64 3bze n PRO 90 Ca -0.20 0.42 -0.36 0.00 -0.04 0.00 0.00 63.50 63.32 3bze n PRO 90 Cb 0.57 -1.96 -0.07 0.00 -0.04 0.00 0.00 33.50 32.00 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 -0.11 3.70 -0.11 0.54 2.20 -0.33 -4.92 119.74 120.71 3bze s LYS 91 Ca 0.77 -0.12 0.03 0.00 -0.36 0.00 0.00 55.97 56.28 3bze s LYS 91 Cb -0.88 -3.26 0.01 0.00 -1.51 0.00 0.00 37.83 32.18 3bze s LYS 91 CO 0.50 0.63 -0.21 0.42 -0.36 0.00 0.00 175.35 176.33 3bze s ILE 92 N -0.60 1.90 -0.08 5.43 1.01 -1.26 -0.23 121.20 127.36 3bze s ILE 92 Ca 0.14 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.90 3bze s ILE 92 Cb -0.12 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.70 3bze s ILE 92 CO 0.03 0.52 -0.13 0.54 0.00 0.00 0.00 174.94 175.90 3bze s VAL 93 N 0.60 1.24 0.07 2.92 0.11 -0.28 -4.96 120.40 120.11 3bze s VAL 93 Ca -0.13 -0.52 -0.10 0.00 -2.93 0.00 0.00 61.98 58.30 3bze s VAL 93 Cb -0.17 -1.14 -0.06 0.00 -1.53 0.00 0.00 36.38 33.48 3bze s VAL 93 CO 0.04 0.38 0.40 -1.59 -3.33 0.00 0.00 175.10 171.00 3bze s LYS 94 N 0.83 3.77 0.17 1.54 -2.85 -1.26 -0.26 119.74 121.68 3bze s LYS 94 Ca -0.11 0.19 -0.32 0.00 -1.00 0.00 0.00 55.97 54.74 3bze s LYS 94 Cb -0.15 -3.01 -0.10 0.00 -2.06 0.00 0.00 37.83 32.50 3bze s LYS 94 CO 0.02 0.57 1.56 -0.46 0.10 0.00 0.00 175.35 177.14 3bze s TRP 95 N -1.37 3.06 -0.24 1.78 -0.00 0.86 -4.92 118.94 118.12 3bze s TRP 95 Ca 0.32 0.64 0.01 0.00 -0.00 0.00 0.00 56.10 57.07 3bze s TRP 95 Cb -0.14 -3.92 0.06 0.00 -0.00 0.00 0.00 33.47 29.46 3bze s TRP 95 CO 0.18 -3.40 -0.07 0.34 -0.00 0.00 0.00 176.95 174.00 3bze s ASP 96 N 1.13 3.92 0.13 5.86 -1.08 -1.26 -4.74 116.67 120.63 3bze s ASP 96 Ca 0.70 -1.20 0.07 0.00 -0.52 0.00 0.00 52.55 51.60 3bze s ASP 96 Cb -0.44 -1.24 0.40 0.00 -1.46 0.00 0.00 42.92 40.18 3bze s ASP 96 CO 0.31 -0.22 1.17 -2.11 0.52 0.00 0.00 175.17 174.84 3bze n ARG 97 N 4.63 0.05 -0.23 4.34 1.85 -1.26 -0.88 116.66 125.16 3bze n ARG 97 Ca -0.12 0.50 0.09 0.00 -1.00 0.00 0.00 57.85 57.32 3bze n ARG 97 Cb 0.44 -1.74 0.25 0.00 -1.05 0.00 0.00 32.46 30.36 3bze n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3bze n ASP 98 N -1.72 2.73 0.00 2.89 8.00 -1.26 -4.84 116.55 122.34 3bze n ASP 98 Ca -0.00 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.54 3bze n ASP 98 Cb 0.10 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3bze n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04