#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bze s PRO 2 N 0.00 1.57 0.00 1.61 0.02 -1.25 -4.86 135.00 132.08 1bze s PRO 2 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 61.00 60.70 1bze s PRO 2 Cb 0.00 -4.98 0.00 0.00 0.02 0.00 0.00 34.50 29.54 1bze s PRO 2 CO 0.00 -4.89 0.00 0.25 -0.33 0.00 0.00 177.00 172.03 1bze n THR 3 N 8.72 0.00 0.00 0.99 -2.24 -1.26 -2.09 114.28 118.40 1bze n THR 3 Ca 0.43 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.21 1bze n THR 3 Cb 0.46 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 66.91 1bze n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bze n GLY 4 N 5.00 2.10 0.00 3.38 0.00 -1.26 -3.33 105.19 111.07 1bze n GLY 4 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1bze n GLY 4 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1bze n THR 5 N 0.00 0.00 -3.43 2.61 5.66 -1.26 -4.67 114.28 113.18 1bze n THR 5 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 1bze n THR 5 Cb 0.00 0.44 -0.01 0.00 -1.55 0.00 0.00 70.33 69.21 1bze n THR 5 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1bze s GLY 6 N 0.00 1.81 -0.83 1.09 0.00 -1.21 -3.43 107.32 104.74 1bze s GLY 6 Ca 0.00 -1.62 -0.21 0.00 0.00 0.00 0.00 44.72 42.89 1bze s GLY 6 CO 0.00 -1.49 2.06 -1.84 0.00 0.00 0.00 173.10 171.82 1bze n GLU 7 N -1.63 0.22 -0.19 2.90 0.28 -0.62 -3.46 120.64 118.14 1bze n GLU 7 Ca 0.02 -1.02 -0.04 0.00 -0.16 0.00 0.00 57.16 55.96 1bze n GLU 7 Cb 0.59 -3.15 0.06 0.00 1.43 0.00 0.00 31.44 30.37 1bze n GLU 7 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1bze h SER 8 N 11.56 0.46 0.00 -1.84 0.02 -1.60 -3.32 113.55 118.83 1bze h SER 8 Ca 0.00 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 1bze h SER 8 Cb 1.01 -0.07 -0.15 0.00 0.14 0.00 0.00 62.40 63.33 1bze h SER 8 CO 1.06 0.31 -0.43 2.29 -1.14 0.00 0.00 176.83 178.93 1bze n LYS 9 N -4.83 0.00 -3.42 3.45 -0.00 -1.26 -3.90 118.16 108.20 1bze n LYS 9 Ca 0.06 -1.05 -0.35 0.00 -0.00 0.00 0.00 58.31 56.97 1bze n LYS 9 Cb 0.13 0.20 0.03 0.00 -0.00 0.00 0.00 35.03 35.39 1bze n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bze h PRO 11 N 2.20 0.00 -4.00 0.00 0.13 -1.87 -3.43 132.00 125.02 1bze h PRO 11 Ca -0.51 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.17 1bze h PRO 11 Cb 1.34 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.11 1bze h PRO 11 CO 0.20 0.08 -0.78 -1.17 -0.23 0.00 0.00 178.00 176.10 1bze s LEU 12 N -6.36 1.06 0.01 1.56 2.96 -1.26 0.33 118.68 116.97 1bze s LEU 12 Ca 0.02 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1bze s LEU 12 Cb 0.08 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 46.19 1bze s LEU 12 CO 0.60 -0.11 -0.05 -0.32 -1.32 0.00 0.00 176.35 175.15 1bze s MET 13 N 1.46 0.40 -0.06 1.98 -2.45 0.61 -4.51 119.30 116.71 1bze s MET 13 Ca -0.02 -0.34 0.05 0.00 -1.25 0.00 0.00 55.69 54.13 1bze s MET 13 Cb -0.13 -0.30 -0.00 0.00 1.25 0.00 0.00 34.83 35.64 1bze s MET 13 CO -0.03 0.07 -0.21 0.08 1.05 0.00 0.00 175.02 175.98 1bze s VAL 14 N -0.51 1.74 -0.11 10.11 1.01 -0.81 -0.44 120.40 131.39 1bze s VAL 14 Ca -0.02 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1bze s VAL 14 Cb -0.04 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1bze s VAL 14 CO -0.00 0.49 -0.13 -0.75 0.00 0.00 0.00 175.10 174.71 1bze s LYS 15 N 0.11 2.06 -0.07 2.72 2.47 0.07 -0.68 119.74 126.42 1bze s LYS 15 Ca -0.08 -0.49 0.04 0.00 -1.56 0.00 0.00 55.97 53.88 1bze s LYS 15 Cb -0.14 -1.82 -0.00 0.00 -1.46 0.00 0.00 37.83 34.41 1bze s LYS 15 CO 0.04 -0.12 -0.20 0.08 0.16 0.00 0.00 175.35 175.32 1bze s VAL 16 N 1.16 1.67 0.03 4.02 1.01 0.76 -0.75 120.40 128.30 1bze s VAL 16 Ca -0.04 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.19 1bze s VAL 16 Cb -0.14 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1bze s VAL 16 CO -0.04 0.47 -0.22 -0.76 0.00 0.00 0.00 175.10 174.56 1bze s LEU 17 N 0.20 2.13 -0.38 3.92 1.43 -0.23 -0.47 118.68 125.28 1bze s LEU 17 Ca -0.10 -0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 52.33 1bze s LEU 17 Cb -0.15 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 45.01 1bze s LEU 17 CO 0.05 0.21 0.46 -0.62 0.23 0.00 0.00 176.35 176.68 1bze s ASP 18 N -1.02 6.24 0.17 2.29 -1.08 0.96 -0.31 116.67 123.91 1bze s ASP 18 Ca 0.08 -0.35 0.25 0.00 -0.52 0.00 0.00 52.55 52.01 1bze s ASP 18 Cb -0.09 -2.24 0.91 0.00 -1.46 0.00 0.00 42.92 40.05 1bze s ASP 18 CO 0.01 -0.52 1.77 0.00 0.52 0.00 0.00 175.17 176.95 1bze n ALA 19 N 5.66 2.10 0.00 3.66 0.00 0.10 -1.96 120.51 130.07 1bze n ALA 19 Ca -0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.29 1bze n ALA 19 Cb 0.48 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 1bze n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1bze h VAL 20 N 0.00 1.03 -0.01 0.00 2.07 -1.94 -3.39 116.25 114.02 1bze h VAL 20 Ca 0.00 -2.82 0.00 0.00 0.82 0.00 0.00 66.70 64.70 1bze h VAL 20 Cb 0.57 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1bze h VAL 20 CO 0.00 0.59 -0.21 0.54 0.02 0.00 0.00 177.57 178.51 1bze n ARG 21 N -3.11 2.44 -3.15 1.57 1.74 -1.22 -5.02 116.66 109.92 1bze n ARG 21 Ca -0.12 -0.49 -0.14 0.00 -0.77 0.00 0.00 57.85 56.34 1bze n ARG 21 Cb 1.00 -1.02 0.07 0.00 -1.02 0.00 0.00 32.46 31.50 1bze n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bze n GLY 22 N 0.88 -0.31 3.70 -0.13 0.00 -0.83 -5.03 105.19 103.48 1bze n GLY 22 Ca 0.03 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 1bze n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bze s SER 23 N -4.01 -0.22 0.59 1.61 1.04 -1.14 -5.03 113.70 106.55 1bze s SER 23 Ca 0.06 -0.67 -0.16 0.00 0.48 0.00 0.00 55.95 55.66 1bze s SER 23 Cb -0.01 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 1bze s SER 23 CO 0.61 -1.22 1.07 -2.16 0.98 0.00 0.00 173.24 172.52 1bze s PRO 24 N -3.94 3.25 -0.53 4.02 0.04 -1.26 -0.03 135.00 136.56 1bze s PRO 24 Ca 0.14 1.29 -0.22 0.00 0.04 0.00 0.00 61.00 62.25 1bze s PRO 24 Cb -0.03 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.54 1bze s PRO 24 CO 0.05 -0.88 0.80 0.00 0.04 0.00 0.00 177.00 177.02 1bze s ALA 25 N -2.33 3.26 0.08 8.56 0.00 0.38 -4.48 121.76 127.23 1bze s ALA 25 Ca 0.65 -1.43 -0.17 0.00 0.00 0.00 0.00 51.96 51.01 1bze s ALA 25 Cb -0.18 -3.56 -0.07 0.00 0.00 0.00 0.00 23.12 19.32 1bze s ALA 25 CO 0.35 -2.20 0.53 0.42 0.00 0.00 0.00 175.76 174.86 1bze s ILE 26 N 3.37 4.83 -1.08 0.00 1.01 -1.26 -4.28 121.20 123.79 1bze s ILE 26 Ca 0.24 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.92 1bze s ILE 26 Cb -0.15 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1bze s ILE 26 CO 0.16 0.48 0.00 0.59 0.00 0.00 0.00 174.94 176.17 1bze n ASN 27 N 1.49 -3.96 -4.73 3.58 3.02 -0.23 -4.93 115.26 109.49 1bze n ASN 27 Ca -0.10 -0.01 -0.39 0.00 -0.03 0.00 0.00 54.58 54.06 1bze n ASN 27 Cb 0.51 -3.15 -0.05 0.00 -0.61 0.00 0.00 39.78 36.48 1bze n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bze s VAL 28 N -2.62 5.06 0.14 2.41 1.01 -1.26 -4.72 120.40 120.42 1bze s VAL 28 Ca 0.00 1.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 1bze s VAL 28 Cb 0.00 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 1bze s VAL 28 CO 0.00 0.32 1.05 0.00 0.00 0.00 0.00 175.10 176.47 1bze s ALA 29 N 0.48 3.31 -0.06 5.51 0.00 -1.26 -0.83 121.76 128.92 1bze s ALA 29 Ca 0.32 0.71 0.02 0.00 0.00 0.00 0.00 51.96 53.01 1bze s ALA 29 Cb -0.17 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1bze s ALA 29 CO 0.15 -0.15 -0.10 0.08 0.00 0.00 0.00 175.76 175.74 1bze s VAL 30 N -0.00 0.94 -0.11 0.00 1.01 0.23 -1.49 120.40 120.97 1bze s VAL 30 Ca 0.49 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1bze s VAL 30 Cb -0.27 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1bze s VAL 30 CO 0.32 0.31 -0.19 -1.00 0.00 0.00 0.00 175.10 174.54 1bze s HIS 31 N 0.74 2.25 -0.09 5.22 3.76 0.26 -1.27 115.29 126.16 1bze s HIS 31 Ca -0.14 -1.03 -0.01 0.00 -0.15 0.00 0.00 55.06 53.74 1bze s HIS 31 Cb -0.15 -1.56 -0.03 0.00 1.11 0.00 0.00 32.58 31.95 1bze s HIS 31 CO 0.03 -0.48 -0.05 0.08 -0.85 0.00 0.00 174.74 173.47 1bze s VAL 32 N 0.75 3.87 0.18 -0.90 1.01 0.10 0.06 120.40 125.46 1bze s VAL 32 Ca -0.10 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1bze s VAL 32 Cb -0.16 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1bze s VAL 32 CO 0.01 0.58 -0.11 -0.36 0.00 0.00 0.00 175.10 175.22 1bze s PHE 33 N -0.58 1.46 -0.03 5.22 0.08 -0.19 -0.78 117.98 123.16 1bze s PHE 33 Ca 0.09 -0.69 0.03 0.00 0.12 0.00 0.00 56.93 56.48 1bze s PHE 33 Cb -0.12 -0.72 0.00 0.00 -0.57 0.00 0.00 43.02 41.61 1bze s PHE 33 CO 0.02 0.19 -0.11 0.50 -0.10 0.00 0.00 175.22 175.72 1bze s ARG 34 N -3.71 1.08 -0.07 0.44 3.52 -0.50 -0.74 118.95 118.96 1bze s ARG 34 Ca 0.20 -0.36 -0.30 0.00 -0.13 0.00 0.00 55.73 55.14 1bze s ARG 34 Cb 0.01 -1.00 -0.06 0.00 -1.56 0.00 0.00 34.95 32.35 1bze s ARG 34 CO 0.04 0.15 1.77 0.21 -0.81 0.00 0.00 175.30 176.66 1bze s LYS 35 N 0.11 4.03 0.55 5.12 2.47 0.16 -0.99 119.74 131.20 1bze s LYS 35 Ca -0.02 2.20 -0.09 0.00 -1.56 0.00 0.00 55.97 56.50 1bze s LYS 35 Cb -0.08 -4.07 -0.04 0.00 -1.46 0.00 0.00 37.83 32.17 1bze s LYS 35 CO 0.01 -1.04 0.92 0.00 0.16 0.00 0.00 175.35 175.40 1bze s ALA 36 N 4.66 3.22 0.29 3.13 0.00 0.14 -4.74 121.76 128.45 1bze s ALA 36 Ca 0.79 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.54 1bze s ALA 36 Cb -0.34 -2.88 0.70 0.00 0.00 0.00 0.00 23.12 20.60 1bze s ALA 36 CO 0.33 -0.51 1.69 0.00 0.00 0.00 0.00 175.76 177.27 1bze h ALA 37 N 0.02 1.36 0.00 0.00 0.00 -1.93 0.24 119.26 118.96 1bze h ALA 37 Ca -0.45 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1bze h ALA 37 Cb 1.19 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1bze h ALA 37 CO 0.62 -0.37 0.00 -0.40 0.00 0.00 0.00 179.25 179.10 1bze n ASP 38 N -5.09 0.00 -1.49 0.00 5.75 -1.26 -4.85 116.55 109.62 1bze n ASP 38 Ca 0.21 -1.35 -0.08 0.00 -0.01 0.00 0.00 54.79 53.57 1bze n ASP 38 Cb 0.64 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.76 1bze n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1bze n ASP 39 N -0.62 -3.42 -4.30 -1.12 2.03 0.85 -5.07 116.55 104.91 1bze n ASP 39 Ca 0.04 -0.17 -0.16 0.00 0.52 0.00 0.00 54.79 55.02 1bze n ASP 39 Cb 0.02 -2.01 -0.10 0.00 -0.72 0.00 0.00 41.12 38.31 1bze n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1bze s THR 40 N -3.06 1.17 -0.49 5.18 -4.23 -1.24 -4.91 115.64 108.06 1bze s THR 40 Ca 0.18 -2.06 -0.24 0.00 -1.18 0.00 0.00 61.69 58.39 1bze s THR 40 Cb -0.08 -2.11 0.03 0.00 1.34 0.00 0.00 72.50 71.68 1bze s THR 40 CO 0.23 -0.53 0.89 0.26 -0.54 0.00 0.00 174.62 174.94 1bze s TRP 41 N -3.33 2.90 -0.07 3.99 0.52 -1.26 0.23 118.94 121.92 1bze s TRP 41 Ca 0.23 0.19 -0.13 0.00 0.02 0.00 0.00 56.10 56.41 1bze s TRP 41 Cb 0.04 -3.93 -0.05 0.00 -1.15 0.00 0.00 33.47 28.38 1bze s TRP 41 CO 0.05 -1.16 0.32 -1.83 0.02 0.00 0.00 176.95 174.35 1bze s GLU 42 N 3.70 3.88 0.11 4.98 -1.05 -0.16 -4.87 118.70 125.29 1bze s GLU 42 Ca 0.33 0.21 -0.32 0.00 -0.15 0.00 0.00 54.97 55.03 1bze s GLU 42 Cb -0.11 -3.26 -0.12 0.00 -0.44 0.00 0.00 34.13 30.19 1bze s GLU 42 CO 0.23 0.60 1.77 -2.30 0.95 0.00 0.00 175.26 176.51 1bze n PRO 43 N 2.29 2.54 -0.08 -4.83 -0.02 -1.26 -1.41 135.00 132.23 1bze n PRO 43 Ca -0.15 0.92 -0.17 0.00 -2.02 0.00 0.00 63.50 62.09 1bze n PRO 43 Cb 0.53 -2.77 -0.06 0.00 -0.02 0.00 0.00 33.50 31.18 1bze n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1bze n PHE 44 N 5.03 0.00 -3.47 6.00 7.35 0.04 -4.85 117.46 127.56 1bze n PHE 44 Ca 0.18 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.77 1bze n PHE 44 Cb 0.34 -0.58 -0.02 0.00 0.35 0.00 0.00 39.48 39.56 1bze n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1bze s ALA 45 N -2.30 -1.71 0.08 3.13 0.00 -0.93 -5.01 121.76 115.02 1bze s ALA 45 Ca -0.22 0.75 -0.18 0.00 0.00 0.00 0.00 51.96 52.30 1bze s ALA 45 Cb 0.08 0.65 0.04 0.00 0.00 0.00 0.00 23.12 23.89 1bze s ALA 45 CO 0.29 -0.73 0.42 -1.54 0.00 0.00 0.00 175.76 174.20 1bze s SER 46 N -2.62 -0.28 0.09 0.00 1.04 -1.26 0.00 113.70 110.67 1bze s SER 46 Ca 0.03 -0.10 -0.16 0.00 0.48 0.00 0.00 55.95 56.20 1bze s SER 46 Cb -0.01 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.62 1bze s SER 46 CO -0.11 -0.75 0.77 0.61 0.98 0.00 0.00 173.24 174.75 1bze n GLY 47 N 0.21 0.69 3.14 7.32 0.00 -0.40 -5.00 105.19 111.15 1bze n GLY 47 Ca -0.18 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 1bze n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bze s LYS 48 N -2.03 0.99 0.41 1.61 1.02 -1.26 -0.60 119.74 119.89 1bze s LYS 48 Ca 0.17 -0.72 -0.24 0.00 0.02 0.00 0.00 55.97 55.20 1bze s LYS 48 Cb -0.02 -1.00 -0.08 0.00 -0.52 0.00 0.00 37.83 36.21 1bze s LYS 48 CO 0.03 0.25 1.14 0.95 -0.92 0.00 0.00 175.35 176.80 1bze s THR 49 N -0.75 3.28 0.00 2.17 -4.23 -0.01 -4.78 115.64 111.33 1bze s THR 49 Ca 0.03 1.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.56 1bze s THR 49 Cb -0.07 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1bze s THR 49 CO 0.01 0.05 0.00 -1.54 -0.54 0.00 0.00 174.62 172.60 1bze n SER 50 N -0.06 -0.01 0.26 3.99 3.41 -0.26 -1.07 113.62 119.88 1bze n SER 50 Ca 0.05 -0.93 0.10 0.00 -0.26 0.00 0.00 58.87 57.83 1bze n SER 50 Cb 0.47 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.11 1bze n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1bze h GLU 51 N 0.00 0.00 -0.11 4.33 4.39 -1.93 0.23 114.58 121.49 1bze h GLU 51 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1bze h GLU 51 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1bze h GLU 51 CO 0.00 0.06 0.00 -1.13 -1.16 0.00 0.00 179.01 176.78 1bze n SER 52 N -4.21 1.36 -0.28 1.42 3.41 -1.26 -4.77 113.62 109.29 1bze n SER 52 Ca -0.03 -1.60 -0.04 0.00 -0.26 0.00 0.00 58.87 56.95 1bze n SER 52 Cb 0.14 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 1bze n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bze n GLY 53 N 1.09 0.65 3.67 5.00 0.00 0.81 -4.78 105.19 111.63 1bze n GLY 53 Ca 0.17 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 1bze n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bze s GLU 54 N -1.75 2.40 -0.11 1.61 2.02 -1.26 -0.17 118.70 121.43 1bze s GLU 54 Ca 0.00 -1.18 -0.03 0.00 0.02 0.00 0.00 54.97 53.78 1bze s GLU 54 Cb 0.00 -2.32 0.04 0.00 0.10 0.00 0.00 34.13 31.95 1bze s GLU 54 CO 0.00 0.43 0.04 -1.17 0.02 0.00 0.00 175.26 174.58 1bze s LEU 55 N -3.16 0.59 0.38 1.80 2.96 0.15 -1.10 118.68 120.28 1bze s LEU 55 Ca 0.29 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 1bze s LEU 55 Cb -0.09 -0.38 -0.07 0.00 0.50 0.00 0.00 46.19 46.16 1bze s LEU 55 CO 0.19 -0.26 0.03 -1.00 -1.32 0.00 0.00 176.35 173.99 1bze s HIS 56 N 2.02 2.25 -0.94 5.38 3.76 -1.26 -1.93 115.29 124.57 1bze s HIS 56 Ca 0.03 -0.81 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 1bze s HIS 56 Cb -0.14 -1.55 0.00 0.00 1.11 0.00 0.00 32.58 32.00 1bze s HIS 56 CO -0.06 0.24 0.00 0.41 -0.85 0.00 0.00 174.74 174.48 1bze n GLY 57 N -0.86 1.04 0.24 -2.22 0.00 -1.26 -4.90 105.19 97.22 1bze n GLY 57 Ca -0.04 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 1bze n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bze h LEU 58 N 0.00 0.46 0.00 0.99 3.38 -1.87 -3.40 115.31 114.87 1bze h LEU 58 Ca -0.18 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 1bze h LEU 58 Cb 0.67 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1bze h LEU 58 CO 0.27 0.69 -0.05 1.07 0.09 0.00 0.00 178.44 180.51 1bze n THR 59 N -4.14 0.00 -4.33 0.22 5.66 -1.25 -4.78 114.28 105.65 1bze n THR 59 Ca -0.00 -0.74 -0.18 0.00 -3.05 0.00 0.00 64.05 60.08 1bze n THR 59 Cb 0.38 0.47 -0.10 0.00 -1.55 0.00 0.00 70.33 69.53 1bze n THR 59 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1bze s THR 60 N -2.60 1.55 0.29 1.09 -1.32 -1.22 -1.59 115.64 111.84 1bze s THR 60 Ca 0.12 -2.15 0.23 0.00 -1.21 0.00 0.00 61.69 58.67 1bze s THR 60 Cb -0.01 -2.08 0.22 0.00 -1.51 0.00 0.00 72.50 69.12 1bze s THR 60 CO 0.09 -0.57 1.91 1.05 -2.21 0.00 0.00 174.62 174.88 1bze h GLU 61 N 2.56 0.00 0.00 7.08 -0.00 -1.87 -0.89 114.58 121.46 1bze h GLU 61 Ca -0.38 0.00 -0.19 0.00 -0.00 0.00 0.00 59.36 58.79 1bze h GLU 61 Cb 1.22 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.94 1bze h GLU 61 CO 0.63 0.23 -0.90 0.93 -0.00 0.00 0.00 179.01 179.90 1bze h GLU 62 N 0.00 0.01 0.00 1.06 4.39 -1.93 -3.31 114.58 114.79 1bze h GLU 62 Ca -0.00 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 59.47 1bze h GLU 62 Cb 0.60 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 1bze h GLU 62 CO 0.03 0.90 -1.60 -1.91 -1.16 0.00 0.00 179.01 175.27 1bze n GLU 63 N -3.47 0.63 -2.34 2.33 2.13 -1.12 -4.57 120.64 114.23 1bze n GLU 63 Ca -0.00 0.22 -0.36 0.00 0.66 0.00 0.00 57.16 57.68 1bze n GLU 63 Cb 0.86 -1.78 -0.03 0.00 0.27 0.00 0.00 31.44 30.76 1bze n GLU 63 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1bze s PHE 64 N -2.79 2.39 0.73 4.31 5.36 -0.36 -4.93 117.98 122.69 1bze s PHE 64 Ca -0.04 -0.63 -0.06 0.00 -0.96 0.00 0.00 56.93 55.24 1bze s PHE 64 Cb 0.08 -4.40 0.10 0.00 -0.34 0.00 0.00 43.02 38.46 1bze s PHE 64 CO 0.82 -1.51 1.03 0.14 -1.46 0.00 0.00 175.22 174.23 1bze s VAL 65 N 7.48 2.24 0.44 3.12 -7.23 -1.26 -4.92 120.40 120.27 1bze s VAL 65 Ca 0.61 -0.36 -0.25 0.00 -1.81 0.00 0.00 61.98 60.17 1bze s VAL 65 Cb 0.02 -2.88 -0.09 0.00 0.56 0.00 0.00 36.38 33.99 1bze s VAL 65 CO 0.11 0.00 1.29 1.21 -0.31 0.00 0.00 175.10 177.40 1bze n GLU 66 N -2.96 1.92 0.00 4.82 2.13 -1.26 -4.73 120.64 120.55 1bze n GLU 66 Ca 0.11 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1bze n GLU 66 Cb 0.60 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.88 1bze n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bze n GLY 67 N 0.79 -0.83 3.56 8.31 0.00 -1.02 -4.99 105.19 111.01 1bze n GLY 67 Ca 0.07 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 1bze n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bze s ILE 68 N -2.00 4.62 0.24 -0.61 1.01 -1.26 -0.63 121.20 122.56 1bze s ILE 68 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 60.65 60.68 1bze s ILE 68 Cb 0.00 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 1bze s ILE 68 CO 0.00 0.40 -0.16 -0.31 0.00 0.00 0.00 174.94 174.87 1bze s TYR 69 N 0.90 2.42 -0.10 3.97 1.51 0.73 -0.67 117.35 126.11 1bze s TYR 69 Ca 0.04 -0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1bze s TYR 69 Cb -0.14 -1.12 0.03 0.00 -0.11 0.00 0.00 41.96 40.62 1bze s TYR 69 CO 0.03 0.60 -0.04 0.21 -1.11 0.00 0.00 175.55 175.24 1bze s LYS 70 N -3.17 1.17 -0.29 -0.62 2.20 0.08 -1.67 119.74 117.44 1bze s LYS 70 Ca 0.27 -0.15 -0.12 0.00 -0.36 0.00 0.00 55.97 55.61 1bze s LYS 70 Cb -0.07 -1.42 -0.04 0.00 -1.51 0.00 0.00 37.83 34.79 1bze s LYS 70 CO 0.14 -0.30 0.24 0.08 -0.36 0.00 0.00 175.35 175.15 1bze s VAL 71 N 1.80 5.28 -0.20 4.02 1.01 0.38 -1.03 120.40 131.67 1bze s VAL 71 Ca 0.05 0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 1bze s VAL 71 Cb -0.13 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1bze s VAL 71 CO -0.07 0.19 -0.05 -0.70 0.00 0.00 0.00 175.10 174.48 1bze s GLU 72 N 1.83 3.45 -0.25 2.72 2.12 0.11 -0.43 118.70 128.25 1bze s GLU 72 Ca 0.09 -0.60 -0.05 0.00 0.36 0.00 0.00 54.97 54.76 1bze s GLU 72 Cb -0.16 -2.96 -0.00 0.00 0.26 0.00 0.00 34.13 31.26 1bze s GLU 72 CO 0.11 -0.07 0.00 0.42 -0.54 0.00 0.00 175.26 175.19 1bze s ILE 73 N 1.15 3.60 -1.05 -3.70 1.01 0.53 -0.57 121.20 122.16 1bze s ILE 73 Ca 0.02 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 1bze s ILE 73 Cb -0.15 -2.73 -0.08 0.00 0.01 0.00 0.00 42.46 39.51 1bze s ILE 73 CO -0.01 0.28 1.95 -0.67 0.00 0.00 0.00 174.94 176.50 1bze n ASP 74 N 4.82 3.16 -0.17 3.58 2.03 -0.56 -1.42 116.55 127.99 1bze n ASP 74 Ca -0.17 -2.74 -0.10 0.00 0.52 0.00 0.00 54.79 52.30 1bze n ASP 74 Cb 0.50 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 1bze n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1bze h THR 75 N 5.01 1.27 -0.17 5.18 1.35 -1.88 -3.26 112.91 120.42 1bze h THR 75 Ca 0.39 -1.23 0.05 0.00 -0.55 0.00 0.00 66.41 65.08 1bze h THR 75 Cb 0.76 1.03 -0.06 0.00 -1.73 0.00 0.00 68.15 68.15 1bze h THR 75 CO 1.68 0.43 -0.29 0.50 -0.25 0.00 0.00 175.52 177.59 1bze h LYS 76 N 0.81 -0.33 -0.69 4.72 3.64 -1.74 -2.12 116.57 120.86 1bze h LYS 76 Ca 0.13 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1bze h LYS 76 Cb 0.65 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 1bze h LYS 76 CO 0.04 -0.22 0.45 0.77 -2.27 0.00 0.00 179.45 178.23 1bze h SER 77 N -0.34 0.68 0.59 4.20 0.02 -1.86 -1.22 113.55 115.62 1bze h SER 77 Ca 0.11 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1bze h SER 77 Cb 0.51 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.90 1bze h SER 77 CO -0.36 0.46 -0.28 0.22 -1.14 0.00 0.00 176.83 175.73 1bze h TYR 78 N 0.78 -0.74 -0.92 3.45 3.20 -1.46 -1.58 116.97 119.72 1bze h TYR 78 Ca 0.28 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 1bze h TYR 78 Cb 0.13 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1bze h TYR 78 CO -0.00 -0.41 0.54 -1.49 -1.64 0.00 0.00 178.16 175.16 1bze h TRP 79 N -0.93 1.22 -0.66 -3.82 -0.00 -1.24 -2.75 115.95 107.77 1bze h TRP 79 Ca -0.08 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.89 58.74 1bze h TRP 79 Cb 0.65 -0.40 -0.03 0.00 -0.00 0.00 0.00 29.16 29.39 1bze h TRP 79 CO -0.01 0.81 0.15 0.87 -0.00 0.00 0.00 178.44 180.26 1bze h LYS 80 N 1.27 1.05 0.00 0.49 1.57 -1.10 -1.45 116.57 118.40 1bze h LYS 80 Ca 0.33 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1bze h LYS 80 Cb -0.04 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1bze h LYS 80 CO -0.06 0.93 0.00 0.00 -0.57 0.00 0.00 179.45 179.75 1bze h ALA 81 N 1.16 1.00 -0.02 3.86 0.00 -0.99 -0.88 119.26 123.40 1bze h ALA 81 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1bze h ALA 81 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1bze h ALA 81 CO 0.00 0.00 -0.15 1.28 0.00 0.00 0.00 179.25 180.38 1bze n LEU 82 N -3.07 1.85 0.00 0.00 4.32 -0.64 -4.95 117.00 114.51 1bze n LEU 82 Ca -0.02 -0.61 0.00 0.00 -0.02 0.00 0.00 56.01 55.36 1bze n LEU 82 Cb 0.15 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 1bze n LEU 82 CO 0.22 0.32 0.00 0.61 -1.22 0.00 0.00 177.39 177.32 1bze n GLY 83 N 1.30 0.55 3.36 -0.72 0.00 -0.33 -5.05 105.19 104.30 1bze n GLY 83 Ca 0.14 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 1bze n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bze s ILE 84 N -2.00 2.79 -0.71 -0.61 1.01 -0.64 -5.01 121.20 116.03 1bze s ILE 84 Ca 0.00 -0.77 -0.19 0.00 0.00 0.00 0.00 60.65 59.68 1bze s ILE 84 Cb 0.00 -2.13 0.11 0.00 0.01 0.00 0.00 42.46 40.46 1bze s ILE 84 CO 0.00 0.55 0.87 -0.44 0.00 0.00 0.00 174.94 175.92 1bze s SER 85 N 0.06 6.34 1.23 3.58 0.01 -1.26 -2.93 113.70 120.72 1bze s SER 85 Ca -0.06 -1.60 -0.19 0.00 1.31 0.00 0.00 55.95 55.41 1bze s SER 85 Cb -0.15 -2.34 0.29 0.00 0.21 0.00 0.00 66.02 64.03 1bze s SER 85 CO 0.05 -1.13 1.08 -2.16 0.41 0.00 0.00 173.24 171.49 1bze s PRO 86 N 2.76 -1.40 -0.26 12.44 0.04 -1.26 -4.97 135.00 142.34 1bze s PRO 86 Ca 0.19 0.01 -0.05 0.00 0.04 0.00 0.00 61.00 61.20 1bze s PRO 86 Cb -0.17 -1.57 -0.15 0.00 0.04 0.00 0.00 34.50 32.65 1bze s PRO 86 CO 0.02 -3.85 -0.26 0.34 0.04 0.00 0.00 177.00 173.30 1bze n PHE 87 N -4.87 0.05 -2.80 0.56 7.35 -0.31 -5.00 117.46 112.45 1bze n PHE 87 Ca 0.12 0.01 -0.30 0.00 -0.76 0.00 0.00 57.45 56.53 1bze n PHE 87 Cb 0.59 -1.01 -0.03 0.00 0.35 0.00 0.00 39.48 39.39 1bze n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1bze s HIS 88 N -2.51 3.48 0.03 -5.13 3.76 -1.26 -4.99 115.29 108.66 1bze s HIS 88 Ca -0.36 1.04 -0.17 0.00 -0.15 0.00 0.00 55.06 55.42 1bze s HIS 88 Cb 0.11 -2.44 -0.29 0.00 1.11 0.00 0.00 32.58 31.07 1bze s HIS 88 CO 0.56 -0.15 1.07 0.93 -0.85 0.00 0.00 174.74 176.30 1bze h GLU 89 N 1.11 0.55 0.00 1.40 4.39 -1.97 -3.38 114.58 116.67 1bze h GLU 89 Ca -0.47 -0.74 0.02 0.00 0.34 0.00 0.00 59.36 58.52 1bze h GLU 89 Cb 1.19 0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 30.08 1bze h GLU 89 CO 0.63 1.32 0.34 -2.39 -1.16 0.00 0.00 179.01 177.76 1bze n HIS 90 N -3.91 -1.99 -5.21 4.33 1.44 -1.26 -3.40 115.22 105.21 1bze n HIS 90 Ca -0.13 -1.56 -0.32 0.00 -2.01 0.00 0.00 57.72 53.70 1bze n HIS 90 Cb 0.92 0.78 -0.16 0.00 0.12 0.00 0.00 29.99 31.64 1bze n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bze s ALA 91 N -1.98 2.21 0.00 1.59 0.00 -0.51 -4.87 121.76 118.20 1bze s ALA 91 Ca 0.16 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.17 1bze s ALA 91 Cb -0.04 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 1bze s ALA 91 CO 0.09 0.37 -0.18 -1.21 0.00 0.00 0.00 175.76 174.83 1bze s GLU 92 N 0.01 1.41 -0.18 0.00 8.01 -1.26 -0.35 118.70 126.34 1bze s GLU 92 Ca -0.09 -0.72 0.00 0.00 0.01 0.00 0.00 54.97 54.18 1bze s GLU 92 Cb -0.15 -1.40 0.04 0.00 -4.31 0.00 0.00 34.13 28.31 1bze s GLU 92 CO 0.05 0.38 -0.08 0.08 0.01 0.00 0.00 175.26 175.70 1bze s VAL 93 N -0.54 1.37 -0.14 2.63 1.01 0.43 -4.96 120.40 120.20 1bze s VAL 93 Ca 0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1bze s VAL 93 Cb -0.07 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 1bze s VAL 93 CO -0.00 0.17 -0.12 -0.69 0.00 0.00 0.00 175.10 174.47 1bze s VAL 94 N 1.52 3.10 0.09 2.92 1.01 -1.26 -0.47 120.40 127.32 1bze s VAL 94 Ca 0.00 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 1bze s VAL 94 Cb -0.15 -2.32 0.06 0.00 0.00 0.00 0.00 36.38 33.96 1bze s VAL 94 CO -0.08 0.51 0.55 0.72 0.00 0.00 0.00 175.10 176.79 1bze s PHE 95 N 0.53 -0.45 -0.00 5.22 -0.71 -0.67 -4.99 117.98 116.91 1bze s PHE 95 Ca -0.08 0.39 -0.23 0.00 -1.04 0.00 0.00 56.93 55.97 1bze s PHE 95 Cb -0.15 0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 42.02 1bze s PHE 95 CO 0.04 -0.72 0.69 0.99 -1.34 0.00 0.00 175.22 174.87 1bze s THR 96 N -3.02 4.88 0.10 -4.49 2.01 -1.26 -0.19 115.64 113.67 1bze s THR 96 Ca -0.02 1.45 0.10 0.00 0.31 0.00 0.00 61.69 63.53 1bze s THR 96 Cb -0.00 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1bze s THR 96 CO -0.06 0.35 -0.27 0.00 -0.69 0.00 0.00 174.62 173.95 1bze s ALA 97 N 0.14 2.31 -0.97 7.40 0.00 0.20 -4.85 121.76 126.00 1bze s ALA 97 Ca 0.36 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1bze s ALA 97 Cb -0.19 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1bze s ALA 97 CO 0.20 0.53 0.00 0.09 0.00 0.00 0.00 175.76 176.58 1bze n ASN 98 N 1.22 -3.02 0.02 0.00 3.02 -1.26 -2.45 115.26 112.79 1bze n ASN 98 Ca -0.18 0.25 0.08 0.00 -0.03 0.00 0.00 54.58 54.70 1bze n ASN 98 Cb 0.53 -2.76 0.34 0.00 -0.61 0.00 0.00 39.78 37.28 1bze n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1bze n ASP 99 N -0.94 0.11 -2.68 6.41 5.75 -1.26 -3.08 116.55 120.86 1bze n ASP 99 Ca -0.11 0.53 -0.09 0.00 -0.01 0.00 0.00 54.79 55.11 1bze n ASP 99 Cb 0.46 -0.55 0.04 0.00 -1.03 0.00 0.00 41.12 40.04 1bze n ASP 99 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1bze n SER 100 N -1.62 1.13 0.00 -1.12 3.41 -1.26 -5.09 113.62 109.06 1bze n SER 100 Ca 0.03 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 1bze n SER 100 Cb 0.18 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1bze n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bze n GLY 101 N -0.10 2.47 3.72 5.00 0.00 -1.18 -4.99 105.19 110.11 1bze n GLY 101 Ca 0.08 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1bze n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bze s PRO 102 N -3.72 4.28 0.40 1.61 0.02 -1.26 -4.28 135.00 132.04 1bze s PRO 102 Ca 0.00 2.18 0.05 0.00 0.02 0.00 0.00 61.00 63.25 1bze s PRO 102 Cb 0.00 -3.21 -0.06 0.00 0.02 0.00 0.00 34.50 31.25 1bze s PRO 102 CO 0.00 -0.50 0.03 1.03 -0.33 0.00 0.00 177.00 177.24 1bze s ARG 103 N 1.08 1.89 -0.16 5.54 1.81 -1.26 -4.47 118.95 123.38 1bze s ARG 103 Ca 0.66 -2.09 -0.02 0.00 -1.72 0.00 0.00 55.73 52.57 1bze s ARG 103 Cb -0.39 -1.31 -0.02 0.00 -0.45 0.00 0.00 34.95 32.78 1bze s ARG 103 CO 0.31 -0.16 -0.09 1.03 -0.68 0.00 0.00 175.30 175.71 1bze s ARG 104 N -3.79 3.46 -0.18 3.54 0.52 0.99 -4.82 118.95 118.68 1bze s ARG 104 Ca 0.31 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.88 1bze s ARG 104 Cb 0.08 -2.79 -0.00 0.00 0.52 0.00 0.00 34.95 32.76 1bze s ARG 104 CO 0.15 0.13 -0.12 0.71 0.02 0.00 0.00 175.30 176.19 1bze s TYR 105 N 0.60 2.85 -0.25 -0.53 1.51 0.15 -0.87 117.35 120.80 1bze s TYR 105 Ca -0.05 -1.07 -0.03 0.00 -1.01 0.00 0.00 57.07 54.91 1bze s TYR 105 Cb -0.15 -1.96 0.02 0.00 -0.11 0.00 0.00 41.96 39.76 1bze s TYR 105 CO 0.03 -0.53 -0.04 0.99 -1.11 0.00 0.00 175.55 174.89 1bze s THR 106 N 1.07 3.11 -0.30 -0.71 2.01 -0.53 -0.29 115.64 120.00 1bze s THR 106 Ca -0.00 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 61.01 1bze s THR 106 Cb -0.15 -2.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 1bze s THR 106 CO -0.03 0.21 0.12 -0.63 -0.69 0.00 0.00 174.62 173.60 1bze s ILE 107 N 1.37 4.43 0.00 1.82 -1.09 0.42 -1.02 121.20 127.13 1bze s ILE 107 Ca 0.01 -0.43 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 1bze s ILE 107 Cb -0.16 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 1bze s ILE 107 CO -0.03 0.11 -0.02 0.00 -1.23 0.00 0.00 174.94 173.77 1bze s ALA 108 N 1.59 3.20 -0.03 9.38 0.00 0.13 -0.75 121.76 135.28 1bze s ALA 108 Ca 0.04 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1bze s ALA 108 Cb -0.17 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.69 1bze s ALA 108 CO 0.05 0.64 -0.07 0.00 0.00 0.00 0.00 175.76 176.38 1bze s ALA 109 N -1.06 0.75 -0.25 0.00 0.00 0.07 -1.31 121.76 119.96 1bze s ALA 109 Ca 0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.89 1bze s ALA 109 Cb -0.11 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1bze s ALA 109 CO 0.09 0.09 -0.02 -1.17 0.00 0.00 0.00 175.76 174.75 1bze s LEU 110 N 0.41 3.29 -0.14 0.00 2.96 -0.48 -1.07 118.68 123.65 1bze s LEU 110 Ca -0.06 -0.70 -0.06 0.00 -0.22 0.00 0.00 54.13 53.09 1bze s LEU 110 Cb -0.10 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1bze s LEU 110 CO 0.00 -0.12 0.07 -0.76 -1.32 0.00 0.00 176.35 174.23 1bze s LEU 111 N 1.41 3.92 0.05 -0.68 1.43 0.57 -2.03 118.68 123.35 1bze s LEU 111 Ca 0.02 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1bze s LEU 111 Cb -0.16 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1bze s LEU 111 CO -0.02 0.29 -0.08 -0.44 0.23 0.00 0.00 176.35 176.33 1bze s SER 112 N -0.31 0.91 0.27 2.29 0.01 0.22 -0.73 113.70 116.37 1bze s SER 112 Ca 0.09 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1bze s SER 112 Cb -0.12 0.04 0.62 0.00 0.21 0.00 0.00 66.02 66.77 1bze s SER 112 CO 0.02 -0.23 1.69 -0.65 0.41 0.00 0.00 173.24 174.47 1bze h PRO 113 N 4.30 0.33 -0.26 12.44 0.11 -1.98 -2.50 132.00 144.43 1bze h PRO 113 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1bze h PRO 113 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1bze h PRO 113 CO 0.44 0.22 0.00 0.66 -0.21 0.00 0.00 178.00 179.10 1bze n TYR 114 N -5.10 0.76 -3.54 0.65 4.02 -1.26 -1.16 117.16 111.52 1bze n TYR 114 Ca 0.19 -0.78 -0.17 0.00 -0.01 0.00 0.00 57.90 57.13 1bze n TYR 114 Cb 0.58 -0.23 -0.06 0.00 -0.02 0.00 0.00 39.34 39.61 1bze n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1bze s SER 115 N -1.72 -0.67 -0.04 7.72 0.15 -0.94 -4.97 113.70 113.23 1bze s SER 115 Ca 0.36 0.84 -0.16 0.00 0.70 0.00 0.00 55.95 57.69 1bze s SER 115 Cb 0.28 0.70 0.03 0.00 -1.71 0.00 0.00 66.02 65.31 1bze s SER 115 CO 0.10 -0.54 0.35 -0.72 1.20 0.00 0.00 173.24 173.63 1bze s TYR 116 N -0.90 -0.26 0.10 3.44 -0.85 -1.26 -0.61 117.35 117.01 1bze s TYR 116 Ca -0.09 0.45 0.10 0.00 -0.52 0.00 0.00 57.07 57.02 1bze s TYR 116 Cb -0.01 0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.42 1bze s TYR 116 CO 0.08 -0.38 -0.25 -1.12 -1.52 0.00 0.00 175.55 172.36 1bze s SER 117 N -1.07 3.10 0.00 -0.18 0.01 -0.86 -4.98 113.70 109.71 1bze s SER 117 Ca -0.11 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 56.48 1bze s SER 117 Cb -0.04 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 1bze s SER 117 CO 0.04 0.18 -0.07 0.28 0.41 0.00 0.00 173.24 174.08 1bze s THR 118 N -1.00 0.51 0.02 1.44 -1.32 -1.26 -1.38 115.64 112.65 1bze s THR 118 Ca 0.12 -0.39 0.02 0.00 -1.21 0.00 0.00 61.69 60.23 1bze s THR 118 Cb -0.10 -0.45 -0.01 0.00 -1.51 0.00 0.00 72.50 70.42 1bze s THR 118 CO 0.04 0.07 -0.07 -0.32 -2.21 0.00 0.00 174.62 172.13 1bze s MET 119 N -0.36 0.52 -0.05 7.08 -2.45 -0.43 -5.00 119.30 118.63 1bze s MET 119 Ca 0.01 -0.44 0.06 0.00 -1.25 0.00 0.00 55.69 54.06 1bze s MET 119 Cb -0.03 -0.43 -0.02 0.00 1.25 0.00 0.00 34.83 35.59 1bze s MET 119 CO -0.00 0.11 -0.22 0.00 1.05 0.00 0.00 175.02 175.95 1bze s ALA 120 N -0.63 2.31 -0.19 4.11 0.00 -1.26 -0.69 121.76 125.41 1bze s ALA 120 Ca -0.02 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1bze s ALA 120 Cb -0.05 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.35 1bze s ALA 120 CO 0.00 0.48 -0.19 0.08 0.00 0.00 0.00 175.76 176.13 1bze s VAL 121 N -0.42 2.10 -0.16 0.00 1.01 -0.19 -4.99 120.40 117.76 1bze s VAL 121 Ca 0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 1bze s VAL 121 Cb -0.12 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1bze s VAL 121 CO 0.01 0.51 -0.07 -0.69 0.00 0.00 0.00 175.10 174.86 1bze s VAL 122 N 1.29 3.50 0.02 2.92 1.01 -1.26 -1.46 120.40 126.43 1bze s VAL 122 Ca 0.04 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1bze s VAL 122 Cb -0.13 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1bze s VAL 122 CO -0.12 0.49 -0.22 -0.89 0.00 0.00 0.00 175.10 174.35 1bze s THR 123 N 0.62 1.75 -0.43 3.92 2.01 -0.05 -4.94 115.64 118.52 1bze s THR 123 Ca -0.04 -1.13 -0.19 0.00 0.31 0.00 0.00 61.69 60.64 1bze s THR 123 Cb -0.15 -1.50 0.03 0.00 0.01 0.00 0.00 72.50 70.89 1bze s THR 123 CO 0.03 0.33 0.53 0.21 -0.69 0.00 0.00 174.62 175.02 1bze s ASN 124 N -0.95 6.25 1.05 3.53 2.47 -1.26 -0.00 114.94 126.02 1bze s ASN 124 Ca 0.08 -0.57 -0.17 0.00 0.42 0.00 0.00 52.86 52.63 1bze s ASN 124 Cb -0.09 -2.26 0.05 0.00 -1.45 0.00 0.00 41.25 37.50 1bze s ASN 124 CO 0.01 -0.68 -0.00 -0.81 -3.72 0.00 0.00 177.10 171.90 1bze n PRO 125 N 5.89 -0.97 -3.73 0.43 -0.04 -1.26 -5.00 135.00 130.31 1bze n PRO 125 Ca -0.05 -0.26 0.03 0.00 -0.04 0.00 0.00 63.50 63.18 1bze n PRO 125 Cb 0.47 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1bze n PRO 125 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1bze s LYS 126 N -3.34 0.26 0.00 0.54 2.20 -1.26 -5.14 119.74 113.00 1bze s LYS 126 Ca 0.54 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1bze s LYS 126 Cb -0.14 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 1bze s LYS 126 CO 0.67 -0.12 0.00 -1.91 -0.36 0.00 0.00 175.35 173.63