#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rze s HIS 4 N 0.00 3.52 0.75 1.57 4.02 -1.26 -5.01 115.29 118.88 1rze s HIS 4 Ca 0.00 1.34 -0.15 0.00 1.02 0.00 0.00 55.06 57.28 1rze s HIS 4 Cb 0.00 -2.61 0.05 0.00 -1.02 0.00 0.00 32.58 29.00 1rze s HIS 4 CO 0.00 0.21 1.21 1.67 1.02 0.00 0.00 174.74 178.85 1rze s TRP 5 N -1.75 1.98 0.00 1.40 1.48 -1.26 -4.86 118.94 115.92 1rze s TRP 5 Ca 0.49 1.61 0.00 0.00 -1.06 0.00 0.00 56.10 57.14 1rze s TRP 5 Cb -0.14 -3.50 0.00 0.00 -1.16 0.00 0.00 33.47 28.68 1rze s TRP 5 CO 0.19 -2.71 0.00 0.41 -4.06 0.00 0.00 176.95 170.78 1rze n GLY 6 N 0.46 2.56 0.11 3.67 0.00 -0.60 -5.02 105.19 106.37 1rze n GLY 6 Ca 0.14 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.74 1rze n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rze n TYR 7 N 0.00 0.06 -2.22 1.61 4.02 -1.26 -3.59 117.16 115.77 1rze n TYR 7 Ca 0.00 -0.94 -0.26 0.00 -0.01 0.00 0.00 57.90 56.69 1rze n TYR 7 Cb 0.00 -0.15 0.16 0.00 -0.02 0.00 0.00 39.34 39.34 1rze n TYR 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1rze n GLY 8 N -1.29 -0.53 0.23 2.72 0.00 -1.26 -4.69 105.19 100.37 1rze n GLY 8 Ca 0.15 -1.85 0.03 0.00 0.00 0.00 0.00 46.02 44.34 1rze n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1rze h LYS 9 N 0.00 0.18 -0.00 1.61 1.63 -1.97 0.37 116.57 118.38 1rze h LYS 9 Ca -0.38 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 1rze h LYS 9 Cb 1.18 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1rze h LYS 9 CO 0.32 0.35 -0.68 0.72 -3.45 0.00 0.00 179.45 176.71 1rze n HIS 10 N -4.27 0.00 -1.28 1.91 8.25 -1.26 -4.44 115.22 114.13 1rze n HIS 10 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1rze n HIS 10 Cb 0.28 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1rze n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1rze n ASN 11 N -1.13 0.15 -3.66 0.41 6.94 -1.12 -4.72 115.26 112.12 1rze n ASN 11 Ca 0.06 -1.43 -0.30 0.00 -0.02 0.00 0.00 54.58 52.89 1rze n ASN 11 Cb 0.36 -0.08 0.26 0.00 -2.36 0.00 0.00 39.78 37.96 1rze n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1rze s GLY 12 N -0.45 1.53 0.41 4.83 0.00 0.11 -1.55 107.32 112.20 1rze s GLY 12 Ca 0.01 -0.92 0.21 0.00 0.00 0.00 0.00 44.72 44.01 1rze s GLY 12 CO 0.00 0.01 1.77 -2.55 0.00 0.00 0.00 173.10 172.33 1rze h PRO 13 N -2.88 0.33 0.00 2.90 0.11 -1.84 0.17 132.00 130.79 1rze h PRO 13 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1rze h PRO 13 Cb 1.31 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1rze h PRO 13 CO 0.31 0.22 0.00 0.39 -0.21 0.00 0.00 178.00 178.71 1rze n GLU 14 N -4.60 0.09 -0.00 1.05 -0.58 -1.26 -2.65 120.64 112.69 1rze n GLU 14 Ca 0.26 0.38 0.08 0.00 -0.42 0.00 0.00 57.16 57.46 1rze n GLU 14 Cb 0.94 -1.69 -0.11 0.00 -0.57 0.00 0.00 31.44 30.00 1rze n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1rze n HIS 15 N -1.87 0.00 -0.02 -0.32 8.25 0.60 -4.63 115.22 117.23 1rze n HIS 15 Ca 0.02 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.63 1rze n HIS 15 Cb 0.16 -0.23 0.58 0.00 1.12 0.00 0.00 29.99 31.63 1rze n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1rze h TRP 16 N 0.00 0.24 -0.61 4.41 6.55 -1.49 -2.58 115.95 122.48 1rze h TRP 16 Ca 0.00 0.01 0.15 0.00 0.95 0.00 0.00 58.89 59.99 1rze h TRP 16 Cb 0.61 -0.08 -0.03 0.00 -0.86 0.00 0.00 29.16 28.80 1rze h TRP 16 CO 0.00 0.11 0.42 1.12 -1.05 0.00 0.00 178.44 179.04 1rze h HIS 17 N 0.22 0.18 -0.79 0.49 2.07 -1.79 0.33 115.15 115.87 1rze h HIS 17 Ca 0.24 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.76 1rze h HIS 17 Cb 0.66 -0.06 -0.04 0.00 2.57 0.00 0.00 27.41 30.54 1rze h HIS 17 CO -0.00 0.07 0.47 0.87 -3.07 0.00 0.00 177.93 176.27 1rze h LYS 18 N 0.16 1.08 0.00 5.12 1.57 -1.81 -2.83 116.57 119.85 1rze h LYS 18 Ca 0.29 -0.10 -0.17 0.00 -1.87 0.00 0.00 60.65 58.80 1rze h LYS 18 Cb 0.93 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1rze h LYS 18 CO -0.04 0.76 -1.75 -0.25 -0.57 0.00 0.00 179.45 177.60 1rze n ASP 19 N -4.47 0.47 -3.65 0.86 8.00 -0.94 -4.73 116.55 112.08 1rze n ASP 19 Ca 0.08 0.20 -0.28 0.00 0.71 0.00 0.00 54.79 55.50 1rze n ASP 19 Cb 0.06 0.78 -0.12 0.00 -0.02 0.00 0.00 41.12 41.82 1rze n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1rze s PHE 20 N -2.98 2.09 0.59 1.24 0.08 0.06 -4.99 117.98 114.08 1rze s PHE 20 Ca -0.06 -2.61 0.29 0.00 0.12 0.00 0.00 56.93 54.66 1rze s PHE 20 Cb 0.09 -1.77 1.63 0.00 -0.57 0.00 0.00 43.02 42.40 1rze s PHE 20 CO 0.84 -0.73 2.08 -1.00 -0.10 0.00 0.00 175.22 176.30 1rze h PRO 21 N 6.03 0.00 0.00 0.24 0.13 -1.74 -0.18 132.00 136.48 1rze h PRO 21 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1rze h PRO 21 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1rze h PRO 21 CO 0.50 0.00 0.00 0.97 -0.23 0.00 0.00 178.00 179.24 1rze h ILE 22 N 0.00 0.00 -0.96 -3.56 2.10 -1.91 -1.97 117.51 111.21 1rze h ILE 22 Ca 0.10 -0.02 0.28 0.00 1.08 0.00 0.00 64.86 66.30 1rze h ILE 22 Cb 0.56 0.79 -0.04 0.00 -1.09 0.00 0.00 36.82 37.05 1rze h ILE 22 CO -0.00 0.00 0.73 0.00 -1.08 0.00 0.00 178.15 177.80 1rze h ALA 23 N 2.00 2.88 -0.67 0.18 0.00 -1.34 0.59 119.26 122.90 1rze h ALA 23 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 1rze h ALA 23 Cb 0.02 0.07 -0.18 0.00 0.00 0.00 0.00 17.79 17.70 1rze h ALA 23 CO 0.00 -1.22 0.27 1.63 0.00 0.00 0.00 179.25 179.93 1rze n LYS 24 N -4.12 2.51 -0.93 0.00 5.02 -0.74 -4.96 118.16 114.95 1rze n LYS 24 Ca 0.20 -3.07 -0.30 0.00 -2.02 0.00 0.00 58.31 53.12 1rze n LYS 24 Cb 1.06 -2.04 0.25 0.00 -0.02 0.00 0.00 35.03 34.28 1rze n LYS 24 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1rze s GLY 25 N -1.70 1.55 0.12 0.72 0.00 0.21 -4.98 107.32 103.24 1rze s GLY 25 Ca 0.51 -0.89 0.25 0.00 0.00 0.00 0.00 44.72 44.60 1rze s GLY 25 CO 0.08 0.01 1.50 1.18 0.00 0.00 0.00 173.10 175.87 1rze n GLU 26 N -4.93 0.23 -2.70 2.90 -0.58 -1.26 -4.30 120.64 110.00 1rze n GLU 26 Ca 0.13 0.11 -0.12 0.00 -0.42 0.00 0.00 57.16 56.85 1rze n GLU 26 Cb 0.59 -1.69 0.02 0.00 -0.57 0.00 0.00 31.44 29.80 1rze n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1rze n ARG 27 N -2.04 1.36 -3.00 3.49 1.85 -1.26 -4.59 116.66 112.48 1rze n ARG 27 Ca 0.04 -3.40 -0.35 0.00 -1.00 0.00 0.00 57.85 53.14 1rze n ARG 27 Cb 0.42 -1.39 -0.06 0.00 -1.05 0.00 0.00 32.46 30.37 1rze n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1rze s GLN 28 N -3.10 4.29 0.28 2.89 -1.52 -1.26 -2.78 119.66 118.46 1rze s GLN 28 Ca 0.31 0.97 0.12 0.00 -1.95 0.00 0.00 55.36 54.81 1rze s GLN 28 Cb 0.44 -2.70 -0.05 0.00 -0.22 0.00 0.00 33.01 30.49 1rze s GLN 28 CO 0.00 0.27 -0.17 -1.12 -0.25 0.00 0.00 175.29 174.03 1rze s SER 29 N -1.82 3.75 0.95 5.90 0.01 -1.26 -4.69 113.70 116.54 1rze s SER 29 Ca 0.49 -0.96 -0.11 0.00 1.31 0.00 0.00 55.95 56.68 1rze s SER 29 Cb -0.15 -0.39 0.17 0.00 0.21 0.00 0.00 66.02 65.85 1rze s SER 29 CO 0.20 0.03 1.00 -0.81 0.41 0.00 0.00 173.24 174.07 1rze n PRO 30 N -0.66 -0.84 -4.22 12.44 -0.04 -1.26 -4.71 135.00 135.70 1rze n PRO 30 Ca -0.05 -1.69 -0.13 0.00 -0.04 0.00 0.00 63.50 61.59 1rze n PRO 30 Cb 0.60 -0.98 -0.10 0.00 -0.04 0.00 0.00 33.50 32.98 1rze n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1rze s VAL 31 N -3.12 0.65 0.07 0.52 -7.23 -1.26 0.27 120.40 110.29 1rze s VAL 31 Ca 0.58 -1.97 -0.26 0.00 -1.81 0.00 0.00 61.98 58.52 1rze s VAL 31 Cb -0.02 -2.05 -0.06 0.00 0.56 0.00 0.00 36.38 34.82 1rze s VAL 31 CO 0.40 -0.54 0.79 -0.62 -0.31 0.00 0.00 175.10 174.83 1rze s ASP 32 N -3.15 7.28 -0.46 4.85 2.15 -1.26 -3.29 116.67 122.79 1rze s ASP 32 Ca 0.22 1.52 -0.18 0.00 0.43 0.00 0.00 52.55 54.55 1rze s ASP 32 Cb 0.06 -2.49 0.04 0.00 -0.30 0.00 0.00 42.92 40.23 1rze s ASP 32 CO 0.02 0.03 0.50 -0.63 -0.17 0.00 0.00 175.17 174.93 1rze s ILE 33 N -0.21 5.03 -0.52 4.11 1.01 0.85 -4.93 121.20 126.54 1rze s ILE 33 Ca 0.39 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 60.32 1rze s ILE 33 Cb -0.21 -4.14 0.04 0.00 0.01 0.00 0.00 42.46 38.15 1rze s ILE 33 CO 0.24 -0.57 0.91 -0.62 0.00 0.00 0.00 174.94 174.90 1rze s ASP 34 N 2.21 6.37 0.55 3.58 2.15 -1.26 0.45 116.67 130.72 1rze s ASP 34 Ca 0.12 -0.26 0.29 0.00 0.43 0.00 0.00 52.55 53.13 1rze s ASP 34 Cb -0.19 -2.43 1.58 0.00 -0.30 0.00 0.00 42.92 41.59 1rze s ASP 34 CO 0.12 -1.15 2.13 0.71 -0.17 0.00 0.00 175.17 176.81 1rze h THR 35 N 6.02 0.52 0.00 1.71 1.35 -1.95 -2.35 112.91 118.22 1rze h THR 35 Ca -0.26 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1rze h THR 35 Cb 1.08 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1rze h THR 35 CO 1.06 0.08 -0.42 1.41 -0.25 0.00 0.00 175.52 177.39 1rze n HIS 36 N -3.65 0.08 0.29 4.73 8.25 -1.26 -3.90 115.22 119.76 1rze n HIS 36 Ca -0.02 0.02 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 1rze n HIS 36 Cb 0.19 -0.35 -0.07 0.00 1.12 0.00 0.00 29.99 30.88 1rze n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1rze n THR 37 N -1.59 0.00 -2.00 1.59 -1.04 -0.95 -4.97 114.28 105.33 1rze n THR 37 Ca 0.05 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.05 61.41 1rze n THR 37 Cb 0.35 0.69 -0.01 0.00 -1.82 0.00 0.00 70.33 69.54 1rze n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rze s ALA 38 N -2.31 3.53 -0.25 2.41 0.00 -0.93 -4.84 121.76 119.37 1rze s ALA 38 Ca 0.01 1.38 -0.16 0.00 0.00 0.00 0.00 51.96 53.19 1rze s ALA 38 Cb 0.08 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1rze s ALA 38 CO 0.44 -0.80 0.40 0.21 0.00 0.00 0.00 175.76 176.02 1rze s LYS 39 N -1.87 4.06 0.14 0.00 2.36 -0.62 -4.83 119.74 118.98 1rze s LYS 39 Ca 0.51 0.13 -0.31 0.00 -2.55 0.00 0.00 55.97 53.74 1rze s LYS 39 Cb -0.42 -3.63 -0.10 0.00 -1.05 0.00 0.00 37.83 32.63 1rze s LYS 39 CO 0.57 -0.24 1.63 -0.47 1.55 0.00 0.00 175.35 178.38 1rze s TYR 40 N 1.96 2.79 -0.28 4.03 5.04 -1.26 -0.93 117.35 128.70 1rze s TYR 40 Ca 0.17 0.46 0.03 0.00 -2.44 0.00 0.00 57.07 55.28 1rze s TYR 40 Cb -0.16 -3.98 0.07 0.00 0.35 0.00 0.00 41.96 38.25 1rze s TYR 40 CO 0.09 -3.76 -0.05 0.34 -1.34 0.00 0.00 175.55 170.84 1rze s ASP 41 N 1.62 4.39 0.45 4.32 -1.08 -0.60 -4.87 116.67 120.91 1rze s ASP 41 Ca 0.72 -1.56 0.31 0.00 -0.52 0.00 0.00 52.55 51.51 1rze s ASP 41 Cb -0.43 -1.46 1.40 0.00 -1.46 0.00 0.00 42.92 40.96 1rze s ASP 41 CO 0.32 -0.26 1.92 1.55 0.52 0.00 0.00 175.17 179.23 1rze h PRO 42 N 7.78 0.00 -0.00 4.34 0.13 -1.93 -2.62 132.00 139.70 1rze h PRO 42 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1rze h PRO 42 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1rze h PRO 42 CO 0.47 0.00 -0.11 -1.13 -0.23 0.00 0.00 178.00 176.99 1rze n SER 43 N -2.72 0.12 -4.73 1.44 3.41 -1.26 -4.83 113.62 105.06 1rze n SER 43 Ca 0.00 0.28 -0.41 0.00 -0.26 0.00 0.00 58.87 58.48 1rze n SER 43 Cb 0.21 -0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 1rze n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1rze s LEU 44 N -2.97 4.44 0.60 1.04 1.43 -0.99 -5.02 118.68 117.22 1rze s LEU 44 Ca 0.14 2.03 -0.06 0.00 -1.03 0.00 0.00 54.13 55.22 1rze s LEU 44 Cb 0.19 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.83 1rze s LEU 44 CO 0.56 -0.31 0.91 -0.54 0.23 0.00 0.00 176.35 177.21 1rze s LYS 45 N 0.21 2.78 0.51 1.70 1.02 -1.23 -4.97 119.74 119.76 1rze s LYS 45 Ca 0.53 -0.09 -0.20 0.00 0.02 0.00 0.00 55.97 56.22 1rze s LYS 45 Cb -0.29 -2.27 -0.07 0.00 -0.52 0.00 0.00 37.83 34.68 1rze s LYS 45 CO 0.32 -0.78 1.11 -2.14 -0.92 0.00 0.00 175.35 172.94 1rze s PRO 46 N -5.02 3.58 0.51 -1.68 0.02 -1.26 -2.87 135.00 128.28 1rze s PRO 46 Ca 0.55 1.56 -0.20 0.00 0.02 0.00 0.00 61.00 62.93 1rze s PRO 46 Cb -0.11 -2.12 -0.07 0.00 0.02 0.00 0.00 34.50 32.23 1rze s PRO 46 CO 0.45 -0.65 1.10 -0.51 -0.33 0.00 0.00 177.00 177.05 1rze s LEU 47 N -3.54 3.83 -0.27 -5.54 1.43 -1.26 -1.70 118.68 111.62 1rze s LEU 47 Ca 0.69 2.10 0.03 0.00 -1.03 0.00 0.00 54.13 55.92 1rze s LEU 47 Cb -0.22 -4.52 0.07 0.00 0.03 0.00 0.00 46.19 41.54 1rze s LEU 47 CO 0.26 -1.01 -0.06 -0.55 0.23 0.00 0.00 176.35 175.22 1rze s SER 48 N -1.79 4.42 -0.33 2.29 0.15 -0.10 -4.88 113.70 113.46 1rze s SER 48 Ca 0.69 -1.54 -0.09 0.00 0.70 0.00 0.00 55.95 55.72 1rze s SER 48 Cb -0.22 -1.49 0.02 0.00 -1.71 0.00 0.00 66.02 62.62 1rze s SER 48 CO 0.25 -0.24 0.14 -0.69 1.20 0.00 0.00 173.24 173.90 1rze s VAL 49 N 1.11 4.25 -0.43 4.45 1.01 -1.26 -1.20 120.40 128.34 1rze s VAL 49 Ca -0.04 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1rze s VAL 49 Cb -0.20 -3.29 0.12 0.00 0.00 0.00 0.00 36.38 33.01 1rze s VAL 49 CO -0.06 -0.07 0.16 -0.44 0.00 0.00 0.00 175.10 174.69 1rze s SER 50 N 1.52 4.68 -0.02 3.32 0.01 -0.17 -4.90 113.70 118.13 1rze s SER 50 Ca 0.02 -2.49 0.08 0.00 1.31 0.00 0.00 55.95 54.87 1rze s SER 50 Cb -0.18 -1.66 0.24 0.00 0.21 0.00 0.00 66.02 64.62 1rze s SER 50 CO 0.05 -0.34 1.19 -1.22 0.41 0.00 0.00 173.24 173.33 1rze n TYR 51 N 3.83 0.36 0.25 2.43 4.01 -1.26 -1.32 117.16 125.45 1rze n TYR 51 Ca 0.04 -0.55 0.11 0.00 -0.16 0.00 0.00 57.90 57.35 1rze n TYR 51 Cb 0.38 -0.06 0.62 0.00 -0.31 0.00 0.00 39.34 39.98 1rze n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1rze h ASP 52 N 1.39 0.00 -0.64 7.72 2.03 -1.91 -2.47 116.42 122.54 1rze h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1rze h ASP 52 Cb 0.73 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.23 1rze h ASP 52 CO 0.02 0.17 0.00 0.00 -1.03 0.00 0.00 179.24 178.40 1rze n GLN 53 N -3.57 4.00 -1.69 4.15 1.13 -1.25 -4.99 117.38 115.15 1rze n GLN 53 Ca -0.01 -2.96 -0.44 0.00 -1.94 0.00 0.00 57.00 51.65 1rze n GLN 53 Cb 0.31 -1.98 -0.02 0.00 0.11 0.00 0.00 30.24 28.66 1rze n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rze n ALA 54 N 1.03 1.61 -3.97 -1.58 0.00 -0.93 -4.64 120.51 112.03 1rze n ALA 54 Ca 0.26 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.80 1rze n ALA 54 Cb 0.96 -2.34 -0.15 0.00 0.00 0.00 0.00 19.45 17.92 1rze n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rze s THR 55 N 0.05 1.88 0.37 0.00 2.01 -1.26 -4.92 115.64 113.77 1rze s THR 55 Ca 0.68 -1.83 -0.20 0.00 0.31 0.00 0.00 61.69 60.64 1rze s THR 55 Cb -0.60 -2.26 -0.10 0.00 0.01 0.00 0.00 72.50 69.54 1rze s THR 55 CO 0.48 -0.41 0.88 -0.94 -0.69 0.00 0.00 174.62 173.94 1rze s SER 56 N 1.15 6.97 0.00 3.53 1.04 -1.26 -0.63 113.70 124.51 1rze s SER 56 Ca 0.04 1.59 0.00 0.00 0.48 0.00 0.00 55.95 58.06 1rze s SER 56 Cb -0.19 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1rze s SER 56 CO -0.10 -0.25 0.00 0.18 0.98 0.00 0.00 173.24 174.05 1rze n LEU 57 N -0.28 2.01 -3.47 2.42 4.77 0.75 -4.08 117.00 119.13 1rze n LEU 57 Ca 0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 1rze n LEU 57 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1rze n LEU 57 CO 0.40 0.34 0.38 -0.60 -1.33 0.00 0.00 177.39 176.57 1rze s ARG 58 N -1.84 1.20 -0.03 3.23 3.52 -1.21 -1.07 118.95 122.75 1rze s ARG 58 Ca 0.00 -0.32 0.07 0.00 -0.13 0.00 0.00 55.73 55.35 1rze s ARG 58 Cb 0.00 0.55 -0.02 0.00 -1.56 0.00 0.00 34.95 33.92 1rze s ARG 58 CO 0.00 -0.49 -0.23 -1.50 -0.81 0.00 0.00 175.30 172.27 1rze s ILE 59 N -3.12 2.30 -0.00 4.11 2.07 0.86 -1.00 121.20 126.41 1rze s ILE 59 Ca -0.02 -1.01 0.01 0.00 -1.41 0.00 0.00 60.65 58.22 1rze s ILE 59 Cb -0.01 -1.83 -0.00 0.00 0.13 0.00 0.00 42.46 40.76 1rze s ILE 59 CO -0.07 0.58 -0.03 -0.22 -1.91 0.00 0.00 174.94 173.29 1rze s LEU 60 N -0.57 2.01 -0.50 8.50 2.96 -0.01 -1.04 118.68 130.03 1rze s LEU 60 Ca 0.08 -0.05 -0.21 0.00 -0.22 0.00 0.00 54.13 53.74 1rze s LEU 60 Cb -0.11 -0.14 0.04 0.00 0.50 0.00 0.00 46.19 46.49 1rze s LEU 60 CO -0.00 0.03 0.70 0.21 -1.32 0.00 0.00 176.35 175.97 1rze s ASN 61 N -0.08 6.28 0.00 3.68 3.84 0.17 -0.85 114.94 127.98 1rze s ASN 61 Ca 0.01 -0.62 0.18 0.00 0.21 0.00 0.00 52.86 52.64 1rze s ASN 61 Cb -0.01 -2.33 0.50 0.00 -0.55 0.00 0.00 41.25 38.86 1rze s ASN 61 CO -0.00 -0.93 1.41 -0.46 -2.79 0.00 0.00 177.10 174.33 1rze n ASN 62 N 6.48 2.74 0.00 -4.21 0.23 -0.61 -0.12 115.26 119.76 1rze n ASN 62 Ca -0.03 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.06 1rze n ASN 62 Cb 0.47 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 1rze n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rze n GLY 63 N 1.33 2.39 0.00 4.83 0.00 -1.26 -4.75 105.19 107.73 1rze n GLY 63 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1rze n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rze n HIS 64 N -2.00 0.00 -3.78 1.61 8.25 -1.26 -4.69 115.22 113.35 1rze n HIS 64 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1rze n HIS 64 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1rze n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rze n ALA 65 N -0.94 -1.73 -2.93 -1.41 0.00 -1.26 -4.86 120.51 107.37 1rze n ALA 65 Ca 0.00 -0.55 -0.33 0.00 0.00 0.00 0.00 53.44 52.55 1rze n ALA 65 Cb 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 19.45 19.57 1rze n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1rze s PHE 66 N -3.34 2.83 -0.10 0.00 -0.12 -1.26 -1.58 117.98 114.41 1rze s PHE 66 Ca 0.15 -0.48 -0.02 0.00 -0.05 0.00 0.00 56.93 56.53 1rze s PHE 66 Cb -0.01 -1.82 -0.03 0.00 -0.63 0.00 0.00 43.02 40.53 1rze s PHE 66 CO 0.02 -0.09 -0.03 -0.80 -0.05 0.00 0.00 175.22 174.27 1rze s ASN 67 N 0.11 4.95 -0.25 1.98 0.02 -0.03 -4.27 114.94 117.45 1rze s ASN 67 Ca -0.05 0.02 -0.11 0.00 -1.02 0.00 0.00 52.86 51.70 1rze s ASN 67 Cb -0.15 -1.48 -0.05 0.00 0.02 0.00 0.00 41.25 39.60 1rze s ASN 67 CO 0.04 0.31 0.19 -0.69 0.02 0.00 0.00 177.10 176.97 1rze s VAL 68 N -0.49 5.34 0.08 1.60 1.01 0.16 -0.83 120.40 127.27 1rze s VAL 68 Ca 0.08 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1rze s VAL 68 Cb -0.12 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1rze s VAL 68 CO 0.02 0.32 0.12 -1.61 0.00 0.00 0.00 175.10 173.95 1rze s GLU 69 N 1.23 3.04 0.23 2.72 2.02 -0.17 -1.81 118.70 125.97 1rze s GLU 69 Ca 0.08 -0.63 0.09 0.00 0.02 0.00 0.00 54.97 54.53 1rze s GLU 69 Cb -0.14 -2.81 -0.05 0.00 0.10 0.00 0.00 34.13 31.23 1rze s GLU 69 CO 0.06 0.57 -0.16 -0.06 0.02 0.00 0.00 175.26 175.69 1rze s PHE 70 N -1.45 1.92 -0.19 1.61 0.40 0.02 -0.18 117.98 120.12 1rze s PHE 70 Ca 0.31 -0.49 -0.29 0.00 -0.60 0.00 0.00 56.93 55.86 1rze s PHE 70 Cb -0.12 -0.87 -0.00 0.00 0.51 0.00 0.00 43.02 42.53 1rze s PHE 70 CO 0.24 0.48 1.13 0.34 0.70 0.00 0.00 175.22 178.11 1rze s ASP 71 N -3.39 7.04 -0.17 1.36 2.15 0.20 -4.83 116.67 119.03 1rze s ASP 71 Ca 0.25 1.53 0.16 0.00 0.43 0.00 0.00 52.55 54.92 1rze s ASP 71 Cb -0.02 -2.54 0.38 0.00 -0.30 0.00 0.00 42.92 40.44 1rze s ASP 71 CO 0.10 -0.69 1.24 -0.90 -0.17 0.00 0.00 175.17 174.75 1rze n ASP 72 N 6.33 2.50 0.04 -0.34 5.75 -1.26 -4.68 116.55 124.88 1rze n ASP 72 Ca 0.13 -3.31 0.12 0.00 -0.01 0.00 0.00 54.79 51.72 1rze n ASP 72 Cb 0.46 -0.49 0.49 0.00 -1.03 0.00 0.00 41.12 40.54 1rze n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1rze n SER 73 N -1.18 0.24 -3.95 -1.12 3.41 -1.26 -4.84 113.62 104.91 1rze n SER 73 Ca 0.19 0.53 -0.09 0.00 -0.26 0.00 0.00 58.87 59.24 1rze n SER 73 Cb 0.73 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 1rze n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1rze s GLN 74 N -3.06 1.35 -1.12 4.33 -0.21 -1.26 -5.08 119.66 114.62 1rze s GLN 74 Ca 0.10 -1.18 -0.16 0.00 0.02 0.00 0.00 55.36 54.15 1rze s GLN 74 Cb 0.14 0.43 -0.07 0.00 1.00 0.00 0.00 33.01 34.52 1rze s GLN 74 CO 0.46 -0.54 2.15 -0.25 -2.12 0.00 0.00 175.29 174.99 1rze n ASP 75 N -0.30 3.83 -0.09 5.90 8.00 -1.26 -4.58 116.55 128.04 1rze n ASP 75 Ca -0.05 -2.69 -0.17 0.00 0.71 0.00 0.00 54.79 52.59 1rze n ASP 75 Cb 0.63 -1.35 -0.09 0.00 -0.02 0.00 0.00 41.12 40.29 1rze n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1rze h LYS 76 N 6.76 0.00 -4.53 -1.24 1.57 -1.87 -3.45 116.57 113.81 1rze h LYS 76 Ca 0.52 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.67 1rze h LYS 76 Cb 0.57 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.50 1rze h LYS 76 CO 1.86 0.72 -0.79 0.00 -0.57 0.00 0.00 179.45 180.67 1rze s ALA 77 N -2.46 2.21 0.15 3.86 0.00 -1.26 -3.75 121.76 120.52 1rze s ALA 77 Ca -0.25 -1.57 0.06 0.00 0.00 0.00 0.00 51.96 50.21 1rze s ALA 77 Cb 0.05 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 1rze s ALA 77 CO 0.48 -1.23 -0.14 0.14 0.00 0.00 0.00 175.76 175.02 1rze s VAL 78 N 1.27 1.45 -0.02 0.00 -7.23 -0.44 -0.96 120.40 114.47 1rze s VAL 78 Ca -0.06 -1.95 0.07 0.00 -1.81 0.00 0.00 61.98 58.23 1rze s VAL 78 Cb -0.19 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 1rze s VAL 78 CO -0.06 -0.53 -0.24 -0.22 -0.31 0.00 0.00 175.10 173.73 1rze s LEU 79 N -2.88 2.05 0.37 1.32 2.96 0.67 -1.00 118.68 122.17 1rze s LEU 79 Ca 0.15 -0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 53.48 1rze s LEU 79 Cb -0.02 -1.26 0.04 0.00 0.50 0.00 0.00 46.19 45.45 1rze s LEU 79 CO 0.04 0.29 0.72 -1.59 -1.32 0.00 0.00 176.35 174.49 1rze s LYS 80 N -0.54 2.13 2.32 1.98 -2.85 -0.34 -1.60 119.74 120.84 1rze s LYS 80 Ca 0.08 -1.47 0.00 0.00 -1.00 0.00 0.00 55.97 53.59 1rze s LYS 80 Cb -0.10 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 1rze s LYS 80 CO -0.01 -0.98 0.00 0.41 0.10 0.00 0.00 175.35 174.88 1rze n GLY 81 N -0.53 -1.05 7.00 0.59 0.00 -1.26 -0.92 105.19 109.03 1rze n GLY 81 Ca -0.06 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1rze n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rze n GLY 82 N 0.00 3.01 0.44 -0.02 0.00 -0.69 -1.24 105.19 106.70 1rze n GLY 82 Ca 0.00 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.74 1rze n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rze n PRO 83 N 13.96 1.57 -3.24 1.61 -0.04 -1.26 -3.52 135.00 144.07 1rze n PRO 83 Ca 0.00 -0.87 -0.34 0.00 -0.04 0.00 0.00 63.50 62.24 1rze n PRO 83 Cb 0.00 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.10 1rze n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rze s LEU 84 N -1.33 4.26 -0.22 1.53 1.43 -0.37 -5.08 118.68 118.90 1rze s LEU 84 Ca 0.26 1.20 -0.05 0.00 -1.03 0.00 0.00 54.13 54.51 1rze s LEU 84 Cb 0.13 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 1rze s LEU 84 CO 0.20 -0.01 0.00 -1.81 0.23 0.00 0.00 176.35 174.96 1rze s ASP 85 N -1.90 4.75 0.00 2.29 1.01 -1.26 -4.16 116.67 117.41 1rze s ASP 85 Ca 0.44 -0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.45 1rze s ASP 85 Cb -0.14 -1.82 0.00 0.00 1.01 0.00 0.00 42.92 41.97 1rze s ASP 85 CO 0.20 0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.21 1rze n GLY 86 N 4.55 0.13 3.75 0.21 0.00 -1.26 -4.95 105.19 107.62 1rze n GLY 86 Ca -0.17 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 1rze n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rze s THR 87 N -1.42 5.01 -0.19 2.61 2.01 -1.26 -4.57 115.64 117.83 1rze s THR 87 Ca 0.00 0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 1rze s THR 87 Cb 0.00 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.32 1rze s THR 87 CO 0.00 0.56 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.04 1rze s TYR 88 N -0.49 2.84 -0.03 4.92 1.51 -0.63 -1.57 117.35 123.90 1rze s TYR 88 Ca 0.11 -1.28 -0.19 0.00 -1.01 0.00 0.00 57.07 54.69 1rze s TYR 88 Cb -0.12 -1.98 -0.05 0.00 -0.11 0.00 0.00 41.96 39.70 1rze s TYR 88 CO 0.02 -0.65 0.55 1.03 -1.11 0.00 0.00 175.55 175.39 1rze s ARG 89 N 1.26 4.29 0.08 -0.62 0.52 -0.45 -0.24 118.95 123.79 1rze s ARG 89 Ca 0.03 0.64 -0.31 0.00 -0.52 0.00 0.00 55.73 55.58 1rze s ARG 89 Cb -0.14 -3.36 -0.06 0.00 0.52 0.00 0.00 34.95 31.92 1rze s ARG 89 CO -0.07 0.34 1.21 -1.17 0.02 0.00 0.00 175.30 175.63 1rze s LEU 90 N -0.06 4.38 -0.10 2.53 2.96 -0.13 -0.88 118.68 127.38 1rze s LEU 90 Ca 0.29 2.06 0.01 0.00 -0.22 0.00 0.00 54.13 56.27 1rze s LEU 90 Cb -0.17 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.87 1rze s LEU 90 CO 0.15 -0.47 -0.09 0.00 -1.32 0.00 0.00 176.35 174.63 1rze n ILE 91 N 3.76 0.56 -3.68 6.68 3.06 -0.42 -4.55 119.36 124.77 1rze n ILE 91 Ca 0.08 -0.21 -0.08 0.00 -2.50 0.00 0.00 62.75 60.04 1rze n ILE 91 Cb 0.46 -0.84 -0.02 0.00 0.54 0.00 0.00 39.64 39.78 1rze n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1rze s GLN 92 N -2.19 1.48 0.14 9.51 1.03 -1.22 -0.80 119.66 127.61 1rze s GLN 92 Ca -0.13 -0.73 0.05 0.00 0.04 0.00 0.00 55.36 54.59 1rze s GLN 92 Cb 0.03 0.56 -0.04 0.00 0.03 0.00 0.00 33.01 33.59 1rze s GLN 92 CO 0.22 -0.67 -0.11 -0.59 -2.54 0.00 0.00 175.29 171.60 1rze s PHE 93 N -3.73 1.30 0.38 9.60 -0.12 -0.75 -0.18 117.98 124.48 1rze s PHE 93 Ca 0.08 -0.68 -0.12 0.00 -0.05 0.00 0.00 56.93 56.16 1rze s PHE 93 Cb -0.03 -0.66 0.05 0.00 -0.63 0.00 0.00 43.02 41.74 1rze s PHE 93 CO -0.01 0.11 0.71 -2.39 -0.05 0.00 0.00 175.22 173.58 1rze n HIS 94 N 0.10 -2.13 -4.25 3.49 1.44 -0.61 -0.66 115.22 112.59 1rze n HIS 94 Ca -0.12 -1.94 -0.16 0.00 -2.01 0.00 0.00 57.72 53.49 1rze n HIS 94 Cb 0.59 0.82 -0.10 0.00 0.12 0.00 0.00 29.99 31.42 1rze n HIS 94 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1rze s PHE 95 N -2.47 1.33 -0.06 -1.40 0.40 -1.26 -0.38 117.98 114.14 1rze s PHE 95 Ca 0.19 -0.66 0.06 0.00 -0.60 0.00 0.00 56.93 55.91 1rze s PHE 95 Cb -0.04 -0.68 -0.01 0.00 0.51 0.00 0.00 43.02 42.80 1rze s PHE 95 CO 0.14 0.12 -0.24 -1.01 0.70 0.00 0.00 175.22 174.93 1rze s HIS 96 N -2.83 2.39 0.25 0.36 3.76 -0.48 -4.75 115.29 114.00 1rze s HIS 96 Ca 0.14 -0.75 -0.06 0.00 -0.15 0.00 0.00 55.06 54.24 1rze s HIS 96 Cb -0.01 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 32.09 1rze s HIS 96 CO 0.02 -0.24 0.34 1.67 -0.85 0.00 0.00 174.74 175.68 1rze s TRP 97 N -0.08 0.86 0.52 1.40 -2.14 -1.20 -1.18 118.94 117.12 1rze s TRP 97 Ca -0.06 -1.12 0.04 0.00 2.66 0.00 0.00 56.10 57.63 1rze s TRP 97 Cb -0.14 -0.18 0.01 0.00 -3.10 0.00 0.00 33.47 30.06 1rze s TRP 97 CO 0.04 -0.89 0.26 0.20 -2.66 0.00 0.00 176.95 173.90 1rze s GLY 98 N -3.13 2.57 0.13 3.67 0.00 -1.18 -1.44 107.32 107.93 1rze s GLY 98 Ca 0.31 -1.09 0.25 0.00 0.00 0.00 0.00 44.72 44.19 1rze s GLY 98 CO 0.13 -2.01 1.44 -1.14 0.00 0.00 0.00 173.10 171.52 1rze n SER 99 N -1.55 0.69 -4.20 1.64 3.41 -1.26 -4.33 113.62 108.02 1rze n SER 99 Ca -0.07 0.21 -0.12 0.00 -0.26 0.00 0.00 58.87 58.63 1rze n SER 99 Cb 0.65 -0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 1rze n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1rze s LEU 100 N -4.18 2.24 0.56 1.04 1.43 -1.26 -5.05 118.68 113.47 1rze s LEU 100 Ca 0.08 -1.11 0.34 0.00 -1.03 0.00 0.00 54.13 52.41 1rze s LEU 100 Cb 0.14 -0.03 1.59 0.00 0.03 0.00 0.00 46.19 47.92 1rze s LEU 100 CO 0.69 -0.54 2.08 0.44 0.23 0.00 0.00 176.35 179.24 1rze h ASP 101 N 2.82 0.00 -0.07 2.29 3.32 -1.93 -2.64 116.42 120.21 1rze h ASP 101 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1rze h ASP 101 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1rze h ASP 101 CO 0.63 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.81 1rze n GLY 102 N -0.34 -0.55 3.59 2.75 0.00 -1.26 -3.75 105.19 105.62 1rze n GLY 102 Ca -0.01 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1rze n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rze s GLN 103 N -1.90 1.48 0.00 1.61 -2.07 -1.00 -4.70 119.66 113.07 1rze s GLN 103 Ca 0.21 -0.94 0.00 0.00 -1.82 0.00 0.00 55.36 52.81 1rze s GLN 103 Cb 0.10 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.55 1rze s GLN 103 CO 0.16 -0.63 0.00 0.41 -1.32 0.00 0.00 175.29 173.91 1rze n GLY 104 N -0.37 2.57 3.82 2.60 0.00 -1.14 -3.20 105.19 109.47 1rze n GLY 104 Ca -0.08 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1rze n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rze s SER 105 N 0.00 5.51 -0.19 1.61 1.04 -0.85 -3.21 113.70 117.61 1rze s SER 105 Ca 0.00 1.67 -0.15 0.00 0.48 0.00 0.00 55.95 57.95 1rze s SER 105 Cb 0.00 -2.51 -0.10 0.00 0.10 0.00 0.00 66.02 63.51 1rze s SER 105 CO 0.00 -1.35 -0.09 -0.62 0.98 0.00 0.00 173.24 172.16 1rze n GLU 106 N -2.80 0.52 -2.10 4.02 1.02 -1.26 -4.85 120.64 115.19 1rze n GLU 106 Ca 0.08 0.47 -0.33 0.00 -0.02 0.00 0.00 57.16 57.37 1rze n GLU 106 Cb 0.53 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1rze n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1rze s HIS 107 N -2.40 3.06 0.15 -0.32 3.76 -1.26 -4.44 115.29 113.84 1rze s HIS 107 Ca -0.24 1.50 0.05 0.00 -0.15 0.00 0.00 55.06 56.22 1rze s HIS 107 Cb 0.05 -2.97 -0.04 0.00 1.11 0.00 0.00 32.58 30.73 1rze s HIS 107 CO 0.41 -0.99 -0.12 0.95 -0.85 0.00 0.00 174.74 174.13 1rze s THR 108 N -2.48 1.31 -0.21 1.30 -4.23 -1.21 -4.71 115.64 105.41 1rze s THR 108 Ca 0.63 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 59.18 1rze s THR 108 Cb -0.15 -1.77 0.04 0.00 1.34 0.00 0.00 72.50 71.96 1rze s THR 108 CO 0.36 -0.62 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.00 1rze s VAL 109 N -2.90 1.91 -1.49 2.29 1.01 -0.70 -0.11 120.40 120.42 1rze s VAL 109 Ca 0.15 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.83 1rze s VAL 109 Cb -0.00 -1.92 0.08 0.00 0.00 0.00 0.00 36.38 34.53 1rze s VAL 109 CO 0.02 0.21 0.83 0.47 0.00 0.00 0.00 175.10 176.63 1rze n ASP 110 N 4.59 -4.70 0.00 3.32 8.00 0.17 -0.53 116.55 127.41 1rze n ASP 110 Ca -0.16 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.70 1rze n ASP 110 Cb 0.46 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.78 1rze n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1rze n LYS 111 N -4.39 -0.26 -2.82 -1.24 4.76 -1.26 -5.01 118.16 107.95 1rze n LYS 111 Ca 0.02 0.06 -0.41 0.00 -2.87 0.00 0.00 58.31 55.11 1rze n LYS 111 Cb 0.54 -3.50 -0.05 0.00 -1.84 0.00 0.00 35.03 30.18 1rze n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1rze s LYS 112 N -0.55 4.64 -0.03 1.97 2.20 0.31 -5.02 119.74 123.26 1rze s LYS 112 Ca 0.00 1.32 -0.01 0.00 -0.36 0.00 0.00 55.97 56.92 1rze s LYS 112 Cb 0.00 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1rze s LYS 112 CO 0.00 0.25 0.06 0.15 -0.36 0.00 0.00 175.35 175.46 1rze s LYS 113 N -0.07 3.06 0.42 4.03 1.02 -1.26 -1.72 119.74 125.22 1rze s LYS 113 Ca 0.44 -0.45 0.08 0.00 0.02 0.00 0.00 55.97 56.06 1rze s LYS 113 Cb -0.22 -2.86 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1rze s LYS 113 CO 0.28 0.67 0.57 0.71 -0.92 0.00 0.00 175.35 176.65 1rze s TYR 114 N -1.11 2.78 -0.27 3.18 2.02 -1.26 -4.75 117.35 117.93 1rze s TYR 114 Ca 0.20 -0.41 0.27 0.00 -0.37 0.00 0.00 57.07 56.76 1rze s TYR 114 Cb -0.12 -2.37 0.80 0.00 -0.40 0.00 0.00 41.96 39.87 1rze s TYR 114 CO 0.10 -0.43 1.77 0.00 -1.57 0.00 0.00 175.55 175.43 1rze h ALA 115 N 0.64 1.00 -2.27 3.71 0.00 -1.35 -2.23 119.26 118.76 1rze h ALA 115 Ca -0.40 0.00 0.16 0.00 0.00 0.00 0.00 54.91 54.67 1rze h ALA 115 Cb 1.28 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 1rze h ALA 115 CO 0.45 0.00 0.51 0.00 0.00 0.00 0.00 179.25 180.21 1rze s ALA 116 N -3.38 -1.75 -0.07 0.00 0.00 -1.15 -3.12 121.76 112.30 1rze s ALA 116 Ca 0.05 0.48 -0.03 0.00 0.00 0.00 0.00 51.96 52.46 1rze s ALA 116 Cb 0.07 0.54 0.04 0.00 0.00 0.00 0.00 23.12 23.77 1rze s ALA 116 CO 0.60 -0.92 0.13 -2.00 0.00 0.00 0.00 175.76 173.58 1rze s GLU 117 N -3.18 0.04 -0.08 0.00 2.12 -0.33 -1.28 118.70 116.00 1rze s GLU 117 Ca 0.10 0.42 -0.18 0.00 0.36 0.00 0.00 54.97 55.67 1rze s GLU 117 Cb -0.01 -0.24 -0.05 0.00 0.26 0.00 0.00 34.13 34.09 1rze s GLU 117 CO -0.02 -0.23 0.47 -1.17 -0.54 0.00 0.00 175.26 173.77 1rze s LEU 118 N 1.63 4.34 -0.19 2.70 2.96 0.31 -1.38 118.68 129.05 1rze s LEU 118 Ca -0.04 0.88 0.01 0.00 -0.22 0.00 0.00 54.13 54.76 1rze s LEU 118 Cb -0.12 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.90 1rze s LEU 118 CO -0.05 0.09 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.88 1rze s HIS 119 N 0.15 2.81 -0.42 5.38 3.76 0.49 -1.77 115.29 125.69 1rze s HIS 119 Ca 0.26 -1.61 -0.17 0.00 -0.15 0.00 0.00 55.06 53.39 1rze s HIS 119 Cb -0.16 -1.93 0.02 0.00 1.11 0.00 0.00 32.58 31.62 1rze s HIS 119 CO 0.12 -0.79 0.41 -0.51 -0.85 0.00 0.00 174.74 173.11 1rze s LEU 120 N 1.30 4.92 -0.16 0.89 1.43 -0.67 -1.57 118.68 124.82 1rze s LEU 120 Ca 0.05 -0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 52.27 1rze s LEU 120 Cb -0.13 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1rze s LEU 120 CO -0.12 -0.56 0.35 -0.69 0.23 0.00 0.00 176.35 175.56 1rze s VAL 121 N 2.04 5.26 0.05 -1.59 1.01 0.75 -1.50 120.40 126.42 1rze s VAL 121 Ca 0.11 0.66 0.05 0.00 0.00 0.00 0.00 61.98 62.80 1rze s VAL 121 Cb -0.18 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1rze s VAL 121 CO 0.13 0.35 -0.15 -1.00 0.00 0.00 0.00 175.10 174.43 1rze s HIS 122 N 0.65 1.29 0.08 5.22 3.76 -0.51 -1.30 115.29 124.48 1rze s HIS 122 Ca 0.19 -0.38 0.09 0.00 -0.15 0.00 0.00 55.06 54.82 1rze s HIS 122 Cb -0.14 -0.75 -0.03 0.00 1.11 0.00 0.00 32.58 32.76 1rze s HIS 122 CO 0.06 0.05 -0.24 1.67 -0.85 0.00 0.00 174.74 175.43 1rze s TRP 123 N -0.94 2.38 -0.29 1.40 1.48 -0.06 -1.29 118.94 121.62 1rze s TRP 123 Ca 0.01 -0.36 -0.29 0.00 -1.06 0.00 0.00 56.10 54.41 1rze s TRP 123 Cb -0.08 -1.35 -0.02 0.00 -1.16 0.00 0.00 33.47 30.85 1rze s TRP 123 CO 0.02 0.25 1.79 1.21 -4.06 0.00 0.00 176.95 176.15 1rze s ASN 124 N -1.65 5.98 0.66 -2.66 3.84 0.29 -1.34 114.94 120.05 1rze s ASN 124 Ca 0.14 1.43 0.33 0.00 0.21 0.00 0.00 52.86 54.97 1rze s ASN 124 Cb -0.10 -2.53 1.82 0.00 -0.55 0.00 0.00 41.25 39.90 1rze s ASN 124 CO 0.05 -1.62 2.04 0.71 -2.79 0.00 0.00 177.10 175.49 1rze h THR 125 N 6.68 0.05 0.00 -5.21 1.35 -1.64 -1.21 112.91 112.94 1rze h THR 125 Ca -0.34 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.49 1rze h THR 125 Cb 1.17 0.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1rze h THR 125 CO 1.02 0.00 -0.12 0.07 -0.25 0.00 0.00 175.52 176.23 1rze h LYS 127 N 0.00 0.00 -0.00 4.72 2.10 -1.91 -2.56 116.57 118.92 1rze h LYS 127 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1rze h LYS 127 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1rze h LYS 127 CO -0.00 0.12 -0.09 0.66 -2.00 0.00 0.00 179.45 178.14 1rze n TYR 128 N -3.96 0.00 0.00 0.07 4.01 -0.45 -4.96 117.16 111.86 1rze n TYR 128 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1rze n TYR 128 Cb 0.21 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1rze n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rze n GLY 129 N 1.26 2.26 3.65 2.72 0.00 -0.96 -4.55 105.19 109.57 1rze n GLY 129 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1rze n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1rze s ASP 130 N -0.23 -0.40 0.14 1.61 1.47 -1.26 -5.05 116.67 112.94 1rze s ASP 130 Ca 0.00 -0.33 -0.18 0.00 1.18 0.00 0.00 52.55 53.23 1rze s ASP 130 Cb 0.00 0.67 -0.00 0.00 -0.34 0.00 0.00 42.92 43.24 1rze s ASP 130 CO 0.00 -1.17 1.78 0.15 0.68 0.00 0.00 175.17 176.60 1rze h PHE 131 N 2.00 0.29 -1.01 2.11 3.57 -1.95 -1.32 116.94 120.64 1rze h PHE 131 Ca -0.26 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.39 1rze h PHE 131 Cb 1.28 -0.09 -0.09 0.00 2.79 0.00 0.00 35.95 39.84 1rze h PHE 131 CO 0.34 0.17 0.63 0.78 -2.23 0.00 0.00 178.31 177.99 1rze h GLY 132 N 0.33 1.68 1.02 2.40 0.00 -1.96 -0.38 103.07 106.15 1rze h GLY 132 Ca 0.12 -0.41 -0.25 0.00 0.00 0.00 0.00 47.33 46.79 1rze h GLY 132 CO -0.07 0.11 -1.02 0.50 0.00 0.00 0.00 176.54 176.06 1rze h LYS 133 N 0.95 0.52 -0.84 4.80 1.79 -1.79 -3.33 116.57 118.68 1rze h LYS 133 Ca 0.52 -0.69 0.10 0.00 -2.18 0.00 0.00 60.65 58.40 1rze h LYS 133 Cb 0.58 0.23 -0.08 0.00 -1.58 0.00 0.00 32.23 31.38 1rze h LYS 133 CO -0.29 1.30 0.47 0.00 -1.08 0.00 0.00 179.45 179.85 1rze h ALA 134 N 0.25 1.21 0.00 3.86 0.00 -0.26 -1.93 119.26 122.39 1rze h ALA 134 Ca -0.16 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rze h ALA 134 Cb 1.73 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1rze h ALA 134 CO 0.20 0.07 0.00 -0.39 0.00 0.00 0.00 179.25 179.13 1rze h VAL 135 N 0.77 0.00 -0.18 0.00 -1.51 -1.21 -2.43 116.25 111.69 1rze h VAL 135 Ca 0.41 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.78 1rze h VAL 135 Cb 0.42 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1rze h VAL 135 CO -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.07 1rze n GLN 136 N -2.50 1.57 -4.55 5.19 1.13 -0.73 -4.68 117.38 112.80 1rze n GLN 136 Ca -0.01 -0.86 -0.27 0.00 -1.94 0.00 0.00 57.00 53.92 1rze n GLN 136 Cb 0.11 -1.30 -0.14 0.00 0.11 0.00 0.00 30.24 29.03 1rze n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1rze s GLN 137 N -1.76 1.42 0.52 -1.09 -1.52 -0.91 -5.03 119.66 111.29 1rze s GLN 137 Ca 0.25 -1.14 0.23 0.00 -1.95 0.00 0.00 55.36 52.76 1rze s GLN 137 Cb 0.13 -1.69 1.43 0.00 -0.22 0.00 0.00 33.01 32.66 1rze s GLN 137 CO 0.19 0.42 2.12 -1.00 -0.25 0.00 0.00 175.29 176.77 1rze h PRO 138 N 4.41 0.00 -0.33 2.91 0.13 -1.86 -1.69 132.00 135.56 1rze h PRO 138 Ca -0.46 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.43 1rze h PRO 138 Cb 1.16 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.12 1rze h PRO 138 CO 0.41 0.08 -0.54 -0.40 -0.23 0.00 0.00 178.00 177.33 1rze n ASP 139 N -3.99 3.10 0.05 1.44 5.75 -1.26 -4.24 116.55 117.39 1rze n ASP 139 Ca -0.02 -3.84 -0.08 0.00 -0.01 0.00 0.00 54.79 50.84 1rze n ASP 139 Cb 0.17 -0.48 -0.12 0.00 -1.03 0.00 0.00 41.12 39.66 1rze n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1rze h GLY 140 N 1.45 0.03 -2.47 6.12 0.00 -1.13 -3.43 103.07 103.63 1rze h GLY 140 Ca 0.17 -0.07 -0.52 0.00 0.00 0.00 0.00 47.33 46.91 1rze h GLY 140 CO 0.36 0.06 -0.75 1.08 0.00 0.00 0.00 176.54 177.28 1rze s LEU 141 N -6.67 2.56 -0.10 3.11 1.43 0.29 -0.55 118.68 118.75 1rze s LEU 141 Ca -0.00 -1.01 -0.00 0.00 -1.03 0.00 0.00 54.13 52.08 1rze s LEU 141 Cb 0.10 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.48 1rze s LEU 141 CO 0.83 -0.07 -0.06 0.00 0.23 0.00 0.00 176.35 177.27 1rze s ALA 142 N -2.71 1.14 -0.13 4.21 0.00 -0.41 -1.18 121.76 122.68 1rze s ALA 142 Ca 0.25 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1rze s ALA 142 Cb -0.03 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 1rze s ALA 142 CO 0.10 -0.36 -0.16 0.08 0.00 0.00 0.00 175.76 175.43 1rze s VAL 143 N 1.64 2.79 -0.26 0.00 1.01 -0.87 -1.43 120.40 123.29 1rze s VAL 143 Ca 0.02 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 1rze s VAL 143 Cb -0.13 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1rze s VAL 143 CO -0.06 0.53 0.52 -0.22 0.00 0.00 0.00 175.10 175.87 1rze s LEU 144 N 0.44 4.05 -0.18 3.92 2.96 -0.56 -1.20 118.68 128.11 1rze s LEU 144 Ca -0.11 0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 54.27 1rze s LEU 144 Cb -0.16 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 1rze s LEU 144 CO 0.05 -0.29 0.04 -0.83 -1.32 0.00 0.00 176.35 174.00 1rze s GLY 145 N 1.53 1.85 -0.08 7.98 0.00 0.47 -1.68 107.32 117.39 1rze s GLY 145 Ca 0.21 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 44.20 1rze s GLY 145 CO 0.09 0.04 -0.21 -0.42 0.00 0.00 0.00 173.10 172.60 1rze s ILE 146 N 0.41 1.81 0.29 0.90 1.01 -0.73 -1.32 121.20 123.57 1rze s ILE 146 Ca 0.01 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.61 1rze s ILE 146 Cb -0.13 -1.57 -0.09 0.00 0.01 0.00 0.00 42.46 40.69 1rze s ILE 146 CO 0.01 0.50 0.73 -0.36 0.00 0.00 0.00 174.94 175.83 1rze s PHE 147 N 0.31 3.45 -0.14 3.97 0.08 -1.26 -0.53 117.98 123.85 1rze s PHE 147 Ca -0.14 1.27 -0.01 0.00 0.12 0.00 0.00 56.93 58.16 1rze s PHE 147 Cb -0.16 -2.56 -0.01 0.00 -0.57 0.00 0.00 43.02 39.71 1rze s PHE 147 CO 0.07 0.16 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.72 1rze s LEU 148 N -2.70 2.76 0.22 -0.37 1.02 -0.41 -0.40 118.68 118.80 1rze s LEU 148 Ca 0.51 -0.33 0.10 0.00 0.02 0.00 0.00 54.13 54.43 1rze s LEU 148 Cb -0.12 -1.63 -0.04 0.00 0.02 0.00 0.00 46.19 44.41 1rze s LEU 148 CO 0.18 0.14 -0.10 -1.59 0.02 0.00 0.00 176.35 175.01 1rze s LYS 149 N 0.48 2.01 -0.14 1.70 -2.85 -0.01 -1.50 119.74 119.44 1rze s LYS 149 Ca -0.08 -1.40 -0.22 0.00 -1.00 0.00 0.00 55.97 53.27 1rze s LYS 149 Cb -0.16 -2.07 -0.03 0.00 -2.06 0.00 0.00 37.83 33.51 1rze s LYS 149 CO 0.04 0.40 0.64 0.08 0.10 0.00 0.00 175.35 176.61 1rze s VAL 150 N -1.98 5.05 0.00 1.79 1.01 -1.26 -0.69 120.40 124.32 1rze s VAL 150 Ca 0.27 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1rze s VAL 150 Cb -0.08 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1rze s VAL 150 CO 0.16 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1rze n GLY 151 N 3.45 0.89 3.78 4.51 0.00 0.14 -4.88 105.19 113.08 1rze n GLY 151 Ca -0.02 0.43 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 1rze n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rze s SER 152 N 2.00 6.01 0.57 1.61 0.01 -1.26 -4.04 113.70 118.60 1rze s SER 152 Ca 0.00 2.07 -0.19 0.00 1.31 0.00 0.00 55.95 59.15 1rze s SER 152 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1rze s SER 152 CO 0.00 -1.02 1.14 0.00 0.41 0.00 0.00 173.24 173.77 1rze s ALA 153 N -1.86 2.62 -0.38 1.44 0.00 -1.26 -2.42 121.76 119.91 1rze s ALA 153 Ca 0.70 0.81 -0.07 0.00 0.00 0.00 0.00 51.96 53.41 1rze s ALA 153 Cb -0.21 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.61 1rze s ALA 153 CO 0.24 -0.93 0.18 0.21 0.00 0.00 0.00 175.76 175.46 1rze s LYS 154 N -3.43 2.49 0.27 0.00 2.47 -1.25 -4.79 119.74 115.50 1rze s LYS 154 Ca 0.73 -1.42 0.00 0.00 -1.56 0.00 0.00 55.97 53.71 1rze s LYS 154 Cb -0.24 -3.60 0.60 0.00 -1.46 0.00 0.00 37.83 33.13 1rze s LYS 154 CO 0.30 -0.86 1.72 -1.35 0.16 0.00 0.00 175.35 175.32 1rze h PRO 155 N 8.26 0.43 0.00 4.03 0.11 -1.92 -1.77 132.00 141.14 1rze h PRO 155 Ca -0.21 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1rze h PRO 155 Cb 1.07 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1rze h PRO 155 CO 0.68 0.29 0.00 0.78 -0.21 0.00 0.00 178.00 179.54 1rze h GLY 156 N 0.44 0.00 1.19 -0.55 0.00 -1.94 -2.78 103.07 99.43 1rze h GLY 156 Ca 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.78 1rze h GLY 156 CO -0.47 0.00 -0.94 -2.00 0.00 0.00 0.00 176.54 173.13 1rze h LEU 157 N 0.00 0.00 -0.69 3.11 5.85 -1.59 -3.41 115.31 118.57 1rze h LEU 157 Ca 0.00 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.83 1rze h LEU 157 Cb 0.30 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 1rze h LEU 157 CO 0.00 0.17 0.29 -0.61 -0.34 0.00 0.00 178.44 177.96 1rze h GLN 158 N 0.00 0.46 -0.82 1.25 5.75 -1.54 -1.33 115.11 118.89 1rze h GLN 158 Ca -0.04 -0.03 0.12 0.00 -0.15 0.00 0.00 58.65 58.55 1rze h GLN 158 Cb 1.17 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.55 1rze h GLN 158 CO 0.02 0.31 0.54 0.87 -2.65 0.00 0.00 178.83 177.91 1rze h LYS 159 N 0.48 0.65 0.15 1.69 1.57 -1.79 -0.35 116.57 118.96 1rze h LYS 159 Ca 0.36 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1rze h LYS 159 Cb 0.47 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1rze h LYS 159 CO -0.33 0.43 -0.07 0.28 -0.57 0.00 0.00 179.45 179.19 1rze h VAL 160 N 0.67 0.99 -0.74 0.50 2.07 -1.56 -3.14 116.25 115.05 1rze h VAL 160 Ca 0.40 -0.92 0.12 0.00 0.82 0.00 0.00 66.70 67.12 1rze h VAL 160 Cb 0.60 1.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.82 1rze h VAL 160 CO -0.16 0.20 0.34 0.58 0.02 0.00 0.00 177.57 178.55 1rze h VAL 161 N -0.67 0.76 0.00 2.57 2.07 -0.66 -2.49 116.25 117.83 1rze h VAL 161 Ca -0.02 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1rze h VAL 161 Cb 0.49 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1rze h VAL 161 CO 0.03 0.10 -0.20 0.44 0.02 0.00 0.00 177.57 177.96 1rze h ASP 162 N 0.54 0.00 0.41 0.57 3.32 -1.12 -2.90 116.42 117.23 1rze h ASP 162 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1rze h ASP 162 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1rze h ASP 162 CO -0.33 0.20 -0.40 0.55 -1.72 0.00 0.00 179.24 177.54 1rze n VAL 163 N -3.65 0.00 -0.15 -1.35 3.14 -0.94 -4.39 118.33 111.00 1rze n VAL 163 Ca -0.01 -0.05 0.06 0.00 -2.96 0.00 0.00 64.34 61.38 1rze n VAL 163 Cb 0.33 0.29 0.37 0.00 -1.06 0.00 0.00 33.84 33.77 1rze n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1rze h LEU 164 N 0.44 0.62 -1.98 6.55 3.38 -1.52 -1.94 115.31 120.87 1rze h LEU 164 Ca 0.00 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1rze h LEU 164 Cb 0.50 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1rze h LEU 164 CO 0.00 0.41 0.31 0.44 0.09 0.00 0.00 178.44 179.69 1rze h ASP 165 N 0.72 0.02 0.45 -0.43 3.32 -1.81 -1.08 116.42 117.61 1rze h ASP 165 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1rze h ASP 165 Cb 0.20 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1rze h ASP 165 CO -0.09 0.01 -0.12 -1.54 -1.72 0.00 0.00 179.24 175.79 1rze n SER 166 N -4.42 0.38 -2.51 6.45 3.41 -0.73 -3.88 113.62 112.34 1rze n SER 166 Ca 0.07 -0.41 -0.11 0.00 -0.26 0.00 0.00 58.87 58.17 1rze n SER 166 Cb 0.49 -0.11 0.03 0.00 -0.26 0.00 0.00 64.21 64.37 1rze n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1rze n ILE 167 N -1.08 1.77 -0.05 -1.33 -5.35 -0.42 -4.75 119.36 108.16 1rze n ILE 167 Ca 0.13 -3.51 0.05 0.00 -0.27 0.00 0.00 62.75 59.15 1rze n ILE 167 Cb 0.28 0.23 0.42 0.00 -1.74 0.00 0.00 39.64 38.83 1rze n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1rze h LYS 168 N 2.48 0.57 -5.97 6.28 3.64 -1.65 -3.42 116.57 118.49 1rze h LYS 168 Ca 0.07 -0.03 -0.57 0.00 -1.27 0.00 0.00 60.65 58.85 1rze h LYS 168 Cb 1.35 -0.13 -0.14 0.00 -0.41 0.00 0.00 32.23 32.90 1rze h LYS 168 CO 0.45 0.37 -0.73 0.95 -2.27 0.00 0.00 179.45 178.23 1rze s THR 169 N -5.52 2.22 0.19 1.00 -4.23 -1.26 -0.76 115.64 107.28 1rze s THR 169 Ca -0.08 -2.30 -0.32 0.00 -1.18 0.00 0.00 61.69 57.80 1rze s THR 169 Cb 0.18 -2.34 -0.15 0.00 1.34 0.00 0.00 72.50 71.53 1rze s THR 169 CO 0.74 -0.38 1.30 1.17 -0.54 0.00 0.00 174.62 176.91 1rze n LYS 170 N -0.61 1.58 0.00 3.99 4.81 -0.35 -1.81 118.16 125.76 1rze n LYS 170 Ca -0.06 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1rze n LYS 170 Cb 0.61 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.51 1rze n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rze n GLY 171 N 2.18 2.15 3.78 3.14 0.00 0.82 -4.55 105.19 112.72 1rze n GLY 171 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1rze n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rze s LYS 172 N -0.35 4.25 0.10 1.61 1.02 -0.75 -4.86 119.74 120.77 1rze s LYS 172 Ca 0.00 1.52 0.00 0.00 0.02 0.00 0.00 55.97 57.51 1rze s LYS 172 Cb 0.00 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 1rze s LYS 172 CO 0.00 -0.07 -0.01 -1.54 -0.92 0.00 0.00 175.35 172.81 1rze s SER 173 N -1.51 0.71 -0.10 2.83 1.04 -1.26 -0.66 113.70 114.76 1rze s SER 173 Ca 0.56 -1.08 -0.13 0.00 0.48 0.00 0.00 55.95 55.77 1rze s SER 173 Cb -0.23 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.11 1rze s SER 173 CO 0.28 -0.59 0.35 0.00 0.98 0.00 0.00 173.24 174.26 1rze s ALA 174 N -3.84 -0.87 0.33 5.32 0.00 -0.20 -4.91 121.76 117.58 1rze s ALA 174 Ca 0.15 0.82 -0.29 0.00 0.00 0.00 0.00 51.96 52.64 1rze s ALA 174 Cb 0.07 -0.39 -0.11 0.00 0.00 0.00 0.00 23.12 22.69 1rze s ALA 174 CO -0.04 -0.20 1.54 -0.51 0.00 0.00 0.00 175.76 176.55 1rze s ASP 175 N -0.26 6.38 -0.45 0.00 1.01 -1.26 -0.10 116.67 121.98 1rze s ASP 175 Ca -0.04 2.98 0.06 0.00 0.71 0.00 0.00 52.55 56.26 1rze s ASP 175 Cb -0.03 -2.65 0.20 0.00 1.01 0.00 0.00 42.92 41.45 1rze s ASP 175 CO 0.02 -0.88 0.56 0.33 0.21 0.00 0.00 175.17 175.41 1rze n PHE 176 N 1.46 -2.06 -3.89 4.23 7.35 -0.24 -4.69 117.46 119.62 1rze n PHE 176 Ca 0.05 -2.55 -0.23 0.00 -0.76 0.00 0.00 57.45 53.96 1rze n PHE 176 Cb 0.38 0.71 -0.02 0.00 0.35 0.00 0.00 39.48 40.90 1rze n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1rze s THR 177 N 0.18 5.26 -1.44 -2.13 -4.23 -1.26 -2.94 115.64 109.08 1rze s THR 177 Ca 0.32 -0.80 -0.03 0.00 -1.18 0.00 0.00 61.69 60.00 1rze s THR 177 Cb 0.08 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1rze s THR 177 CO -0.15 -0.26 0.41 0.59 -0.54 0.00 0.00 174.62 174.68 1rze n ASN 178 N -1.11 -5.59 -4.72 3.99 4.13 -1.26 -4.96 115.26 105.75 1rze n ASN 178 Ca -0.08 -0.20 -0.36 0.00 1.68 0.00 0.00 54.58 55.63 1rze n ASN 178 Cb 0.56 -4.47 -0.07 0.00 -1.54 0.00 0.00 39.78 34.25 1rze n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1rze s PHE 179 N -3.07 3.43 -0.32 3.10 5.36 -1.26 -5.02 117.98 120.20 1rze s PHE 179 Ca 0.20 0.49 -0.10 0.00 -0.96 0.00 0.00 56.93 56.56 1rze s PHE 179 Cb -0.09 -2.28 0.00 0.00 -0.34 0.00 0.00 43.02 40.31 1rze s PHE 179 CO 0.25 0.24 0.16 0.34 -1.46 0.00 0.00 175.22 174.75 1rze s ASP 180 N 0.47 5.54 0.00 6.13 -1.08 -1.26 -4.41 116.67 122.07 1rze s ASP 180 Ca 0.13 -0.67 0.19 0.00 -0.52 0.00 0.00 52.55 51.69 1rze s ASP 180 Cb -0.12 -1.99 0.95 0.00 -1.46 0.00 0.00 42.92 40.30 1rze s ASP 180 CO 0.02 -0.24 1.59 -0.81 0.52 0.00 0.00 175.17 176.24 1rze n PRO 181 N 4.97 0.26 0.26 4.34 -0.04 -1.26 -2.74 135.00 140.79 1rze n PRO 181 Ca -0.13 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.56 1rze n PRO 181 Cb 0.48 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.16 1rze n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rze h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -1.91 114.38 114.16 1rze h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1rze h ARG 182 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1rze h ARG 182 CO 0.00 0.12 0.00 0.41 -1.07 0.00 0.00 179.97 179.43 1rze n GLY 183 N -0.61 -0.62 0.74 0.04 0.00 -1.11 -2.54 105.19 101.09 1rze n GLY 183 Ca -0.02 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1rze n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rze n LEU 184 N -1.33 2.59 -4.80 0.99 4.77 -0.72 -4.51 117.00 113.99 1rze n LEU 184 Ca 0.04 -1.12 -0.38 0.00 -0.03 0.00 0.00 56.01 54.51 1rze n LEU 184 Cb 0.08 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1rze n LEU 184 CO 0.07 0.49 0.38 -0.76 -1.33 0.00 0.00 177.39 176.23 1rze s LEU 185 N -1.41 4.50 1.06 2.23 1.43 -1.05 -4.94 118.68 120.51 1rze s LEU 185 Ca 0.23 1.42 -0.16 0.00 -1.03 0.00 0.00 54.13 54.59 1rze s LEU 185 Cb 0.15 -3.21 0.22 0.00 0.03 0.00 0.00 46.19 43.38 1rze s LEU 185 CO 0.22 0.19 1.14 -2.16 0.23 0.00 0.00 176.35 175.98 1rze s PRO 186 N -1.36 -0.10 0.15 1.29 0.04 -1.26 -4.97 135.00 128.78 1rze s PRO 186 Ca 0.35 0.07 -0.13 0.00 0.04 0.00 0.00 61.00 61.33 1rze s PRO 186 Cb -0.20 -1.71 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1rze s PRO 186 CO 0.22 -2.99 1.61 1.49 0.04 0.00 0.00 177.00 177.37 1rze h GLU 187 N -2.07 0.83 -5.78 4.56 4.81 -1.92 -3.44 114.58 111.57 1rze h GLU 187 Ca -0.48 -0.25 -0.65 0.00 -0.13 0.00 0.00 59.36 57.85 1rze h GLU 187 Cb 1.30 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 1rze h GLU 187 CO 0.46 0.86 -0.38 0.45 -0.73 0.00 0.00 179.01 179.66 1rze s SER 188 N -6.29 6.53 -0.26 1.04 0.15 -1.26 -5.01 113.70 108.60 1rze s SER 188 Ca -0.13 0.63 0.12 0.00 0.70 0.00 0.00 55.95 57.28 1rze s SER 188 Cb 0.11 -2.13 0.66 0.00 -1.71 0.00 0.00 66.02 62.95 1rze s SER 188 CO 0.81 0.37 1.64 0.18 1.20 0.00 0.00 173.24 177.43 1rze n LEU 189 N 1.83 5.11 -4.77 3.45 4.77 -1.26 -4.73 117.00 121.40 1rze n LEU 189 Ca -0.17 -3.20 -0.40 0.00 -0.03 0.00 0.00 56.01 52.21 1rze n LEU 189 Cb 0.54 -0.66 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1rze n LEU 189 CO 0.34 0.80 0.95 -1.81 -1.33 0.00 0.00 177.39 176.35 1rze s ASP 190 N -1.49 6.47 0.24 -1.43 1.01 -1.26 -4.79 116.67 115.42 1rze s ASP 190 Ca 0.50 2.62 -0.11 0.00 0.71 0.00 0.00 52.55 56.27 1rze s ASP 190 Cb 0.40 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.69 1rze s ASP 190 CO 0.11 -0.74 0.43 -0.72 0.21 0.00 0.00 175.17 174.46 1rze s TYR 191 N -1.25 0.47 0.18 4.23 -0.85 -1.26 -1.24 117.35 117.62 1rze s TYR 191 Ca 0.55 -0.81 0.08 0.00 -0.52 0.00 0.00 57.07 56.37 1rze s TYR 191 Cb -0.38 0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.01 1rze s TYR 191 CO 0.49 -0.94 -0.06 -1.58 -1.52 0.00 0.00 175.55 171.94 1rze s TRP 192 N -4.04 2.72 -0.07 -3.49 0.51 -0.04 -0.62 118.94 113.91 1rze s TRP 192 Ca 0.25 -0.18 -0.10 0.00 -2.12 0.00 0.00 56.10 53.94 1rze s TRP 192 Cb 0.00 -1.33 0.02 0.00 -0.81 0.00 0.00 33.47 31.36 1rze s TRP 192 CO 0.09 0.51 0.26 -0.08 -0.51 0.00 0.00 176.95 177.22 1rze s THR 193 N -1.70 0.02 0.15 2.01 -1.32 -0.18 -1.15 115.64 113.48 1rze s THR 193 Ca 0.26 -0.17 -0.22 0.00 -1.21 0.00 0.00 61.69 60.35 1rze s THR 193 Cb -0.09 -0.43 0.06 0.00 -1.51 0.00 0.00 72.50 70.54 1rze s THR 193 CO 0.17 -0.09 0.56 -0.72 -2.21 0.00 0.00 174.62 172.32 1rze s TYR 194 N -0.31 -0.48 -0.07 9.09 1.13 -1.07 -1.40 117.35 124.25 1rze s TYR 194 Ca -0.04 0.25 -0.24 0.00 -1.41 0.00 0.00 57.07 55.62 1rze s TYR 194 Cb -0.03 0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 41.30 1rze s TYR 194 CO 0.01 -0.82 0.74 -1.25 -2.51 0.00 0.00 175.55 171.72 1rze s PRO 195 N -3.76 4.43 0.00 -3.49 0.04 -1.26 -1.39 135.00 129.57 1rze s PRO 195 Ca 0.01 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1rze s PRO 195 Cb -0.00 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1rze s PRO 195 CO -0.13 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.33 1rze n GLY 196 N 3.14 4.24 3.26 0.56 0.00 0.13 -4.84 105.19 111.67 1rze n GLY 196 Ca 0.00 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 1rze n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rze n SER 197 N 0.00 -0.27 -4.76 1.61 3.41 -1.12 -2.55 113.62 109.94 1rze n SER 197 Ca 0.00 -3.20 -0.34 0.00 -0.26 0.00 0.00 58.87 55.07 1rze n SER 197 Cb 0.00 1.54 0.04 0.00 -0.26 0.00 0.00 64.21 65.52 1rze n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1rze s LEU 198 N 0.00 3.53 0.00 1.04 1.43 -0.63 -4.53 118.68 119.51 1rze s LEU 198 Ca 0.36 2.16 0.17 0.00 -1.03 0.00 0.00 54.13 55.78 1rze s LEU 198 Cb 0.02 -4.57 0.28 0.00 0.03 0.00 0.00 46.19 41.95 1rze s LEU 198 CO 0.25 -1.59 1.20 0.35 0.23 0.00 0.00 176.35 176.79 1rze n THR 199 N -2.01 0.44 -4.24 5.49 -2.24 -1.26 -4.48 114.28 105.98 1rze n THR 199 Ca 0.12 -0.72 -0.18 0.00 -2.27 0.00 0.00 64.05 61.00 1rze n THR 199 Cb 0.51 0.98 -0.11 0.00 -2.10 0.00 0.00 70.33 69.61 1rze n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1rze s THR 200 N -1.24 1.31 0.26 4.28 -4.23 -1.26 -4.75 115.64 110.02 1rze s THR 200 Ca 0.27 -1.73 -0.29 0.00 -1.18 0.00 0.00 61.69 58.75 1rze s THR 200 Cb 0.16 -1.54 -0.14 0.00 1.34 0.00 0.00 72.50 72.32 1rze s THR 200 CO 0.23 -0.44 1.12 -2.65 -0.54 0.00 0.00 174.62 172.34 1rze n PRO 201 N 0.49 1.48 0.00 3.99 -0.02 -1.26 -0.73 135.00 138.95 1rze n PRO 201 Ca -0.15 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1rze n PRO 201 Cb 0.57 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1rze n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1rze n PRO 202 N 1.08 0.98 -2.32 0.52 -0.04 -1.26 -5.02 135.00 128.95 1rze n PRO 202 Ca 0.10 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 1rze n PRO 202 Cb 0.31 -1.05 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 1rze n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1rze n LEU 203 N -0.45 -1.20 -4.77 1.53 4.77 0.09 -4.91 117.00 112.06 1rze n LEU 203 Ca 0.00 0.19 -0.41 0.00 -0.03 0.00 0.00 56.01 55.77 1rze n LEU 203 Cb 0.03 -2.20 0.00 0.00 -2.33 0.00 0.00 43.42 38.91 1rze n LEU 203 CO 0.00 -0.20 1.09 -0.76 -1.33 0.00 0.00 177.39 176.19 1rze s LEU 204 N -5.44 4.27 -1.24 2.23 1.43 -1.26 -4.45 118.68 114.22 1rze s LEU 204 Ca 0.00 2.95 -0.08 0.00 -1.03 0.00 0.00 54.13 55.97 1rze s LEU 204 Cb 0.00 -3.75 0.20 0.00 0.03 0.00 0.00 46.19 42.67 1rze s LEU 204 CO 0.00 -0.91 1.80 -0.62 0.23 0.00 0.00 176.35 176.86 1rze n GLU 205 N 0.32 3.83 -0.19 1.70 1.02 -1.26 -1.60 120.64 124.46 1rze n GLU 205 Ca 0.02 -3.75 0.05 0.00 -0.02 0.00 0.00 57.16 53.46 1rze n GLU 205 Cb 0.40 -2.83 0.06 0.00 -0.02 0.00 0.00 31.44 29.06 1rze n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rze s VAL 207 N -1.44 2.93 -0.36 0.00 1.01 -1.06 -0.55 120.40 120.94 1rze s VAL 207 Ca 0.14 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 1rze s VAL 207 Cb 0.13 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1rze s VAL 207 CO 0.01 0.55 0.28 -0.89 0.00 0.00 0.00 175.10 175.05 1rze s THR 208 N 0.02 5.25 0.05 3.92 2.01 -0.32 0.17 115.64 126.74 1rze s THR 208 Ca -0.05 -0.24 -0.20 0.00 0.31 0.00 0.00 61.69 61.51 1rze s THR 208 Cb -0.14 -3.78 -0.06 0.00 0.01 0.00 0.00 72.50 68.52 1rze s THR 208 CO 0.04 -0.09 0.60 0.26 -0.69 0.00 0.00 174.62 174.74 1rze s TRP 209 N 1.79 3.76 -0.30 4.92 0.52 -0.48 -2.04 118.94 127.11 1rze s TRP 209 Ca 0.07 1.28 0.01 0.00 0.02 0.00 0.00 56.10 57.48 1rze s TRP 209 Cb -0.17 -2.57 0.09 0.00 -1.15 0.00 0.00 33.47 29.66 1rze s TRP 209 CO 0.11 0.48 0.05 0.42 0.02 0.00 0.00 176.95 178.03 1rze s ILE 210 N -0.72 1.39 -0.26 2.03 1.01 -0.34 -2.59 121.20 121.72 1rze s ILE 210 Ca 0.31 -1.61 -0.08 0.00 0.00 0.00 0.00 60.65 59.26 1rze s ILE 210 Cb -0.19 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 1rze s ILE 210 CO 0.19 -0.53 0.10 -0.69 0.00 0.00 0.00 174.94 174.01 1rze s VAL 211 N 1.38 4.50 0.17 2.92 1.01 -0.30 -0.39 120.40 129.68 1rze s VAL 211 Ca 0.07 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 1rze s VAL 211 Cb -0.18 -3.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.98 1rze s VAL 211 CO -0.16 0.28 1.13 -0.76 0.00 0.00 0.00 175.10 175.59 1rze s LEU 212 N 1.64 4.47 0.25 3.92 1.43 -0.43 -0.86 118.68 129.08 1rze s LEU 212 Ca 0.06 2.11 -0.02 0.00 -1.03 0.00 0.00 54.13 55.25 1rze s LEU 212 Cb -0.16 -3.60 0.30 0.00 0.03 0.00 0.00 46.19 42.77 1rze s LEU 212 CO 0.05 -0.28 1.72 0.50 0.23 0.00 0.00 176.35 178.57 1rze h LYS 213 N 5.30 0.75 -5.40 1.70 3.64 -1.51 -3.43 116.57 117.62 1rze h LYS 213 Ca -0.44 -0.24 -0.61 0.00 -1.27 0.00 0.00 60.65 58.10 1rze h LYS 213 Cb 1.21 -0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.84 1rze h LYS 213 CO 0.74 0.82 -0.13 -2.00 -2.27 0.00 0.00 179.45 176.61 1rze s GLU 214 N -4.83 4.13 0.74 1.90 2.12 -1.26 -5.02 118.70 116.48 1rze s GLU 214 Ca -0.09 0.26 -0.12 0.00 0.36 0.00 0.00 54.97 55.38 1rze s GLU 214 Cb 0.14 -3.59 0.03 0.00 0.26 0.00 0.00 34.13 30.98 1rze s GLU 214 CO 0.81 -0.17 1.11 -2.14 -0.54 0.00 0.00 175.26 174.34 1rze s PRO 215 N 1.72 2.61 0.21 4.30 0.02 -1.26 -4.65 135.00 137.95 1rze s PRO 215 Ca 0.20 0.43 0.07 0.00 0.02 0.00 0.00 61.00 61.72 1rze s PRO 215 Cb -0.15 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 1rze s PRO 215 CO 0.09 -1.21 0.09 0.96 -0.33 0.00 0.00 177.00 176.60 1rze s ILE 216 N -3.36 4.09 -0.11 2.83 -4.36 0.46 -4.90 121.20 115.85 1rze s ILE 216 Ca 0.59 -1.40 -0.05 0.00 -0.26 0.00 0.00 60.65 59.53 1rze s ILE 216 Cb -0.11 -3.13 -0.04 0.00 1.25 0.00 0.00 42.46 40.43 1rze s ILE 216 CO 0.52 -0.22 0.09 -0.44 0.24 0.00 0.00 174.94 175.12 1rze s SER 217 N -3.36 5.94 0.19 4.36 0.01 -1.26 -0.83 113.70 118.75 1rze s SER 217 Ca 0.31 0.34 0.07 0.00 1.31 0.00 0.00 55.95 57.98 1rze s SER 217 Cb -0.09 -1.84 -0.05 0.00 0.21 0.00 0.00 66.02 64.26 1rze s SER 217 CO 0.22 0.40 -0.13 0.68 0.41 0.00 0.00 173.24 174.81 1rze s VAL 218 N -0.97 1.61 0.51 3.43 -7.23 0.13 -3.74 120.40 114.14 1rze s VAL 218 Ca 0.14 -2.18 -0.05 0.00 -1.81 0.00 0.00 61.98 58.09 1rze s VAL 218 Cb -0.12 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 1rze s VAL 218 CO 0.03 -0.63 0.80 -0.94 -0.31 0.00 0.00 175.10 174.05 1rze s SER 219 N -3.28 6.02 0.24 4.85 1.04 -1.17 0.24 113.70 121.64 1rze s SER 219 Ca 0.21 0.78 -0.04 0.00 0.48 0.00 0.00 55.95 57.38 1rze s SER 219 Cb 0.00 -2.01 0.38 0.00 0.10 0.00 0.00 66.02 64.50 1rze s SER 219 CO 0.05 -0.73 1.82 -1.28 0.98 0.00 0.00 173.24 174.09 1rze h SER 220 N 0.14 0.73 -0.06 7.02 0.87 -1.93 -0.97 113.55 119.35 1rze h SER 220 Ca -0.46 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.08 1rze h SER 220 Cb 1.23 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1rze h SER 220 CO 0.61 0.43 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.91 1rze h GLU 221 N 0.85 0.35 0.01 2.24 3.07 -1.96 0.93 114.58 120.08 1rze h GLU 221 Ca 0.39 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1rze h GLU 221 Cb 0.31 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1rze h GLU 221 CO -0.23 0.47 -0.00 1.96 -1.40 0.00 0.00 179.01 179.81 1rze h GLN 222 N 0.34 -0.01 -0.28 2.33 4.20 -1.59 -2.80 115.11 117.30 1rze h GLN 222 Ca 0.07 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 1rze h GLN 222 Cb 0.39 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1rze h GLN 222 CO 0.02 0.46 -0.12 0.28 -0.67 0.00 0.00 178.83 178.80 1rze h VAL 223 N -0.48 1.22 -0.68 -0.54 2.07 -1.08 -2.47 116.25 114.29 1rze h VAL 223 Ca -0.00 -0.98 0.10 0.00 0.82 0.00 0.00 66.70 66.64 1rze h VAL 223 Cb 0.47 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 1rze h VAL 223 CO 0.00 0.32 0.29 -0.07 0.02 0.00 0.00 177.57 178.13 1rze h LEU 224 N 0.43 0.33 -1.91 2.57 3.38 -0.78 -1.10 115.31 118.22 1rze h LEU 224 Ca 0.08 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1rze h LEU 224 Cb 0.47 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1rze h LEU 224 CO 0.03 0.18 -0.11 0.11 0.09 0.00 0.00 178.44 178.73 1rze h LYS 225 N 0.49 0.00 -0.42 1.13 1.57 -1.16 -2.61 116.57 115.56 1rze h LYS 225 Ca 0.35 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1rze h LYS 225 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1rze h LYS 225 CO -0.31 0.11 0.15 0.74 -0.57 0.00 0.00 179.45 179.57 1rze h PHE 226 N 0.00 0.67 0.00 -1.35 -1.00 -1.23 -2.85 116.94 111.18 1rze h PHE 226 Ca -0.00 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1rze h PHE 226 Cb 0.23 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 39.60 1rze h PHE 226 CO 0.00 0.60 0.00 0.54 -1.61 0.00 0.00 178.31 177.84 1rze n ARG 227 N -4.60 0.22 0.00 1.51 1.74 -0.98 -2.50 116.66 112.04 1rze n ARG 227 Ca 0.00 0.07 0.11 0.00 -0.77 0.00 0.00 57.85 57.26 1rze n ARG 227 Cb 0.17 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.19 1rze n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1rze n LYS 228 N -1.09 0.70 -1.50 5.56 5.02 -1.07 -4.56 118.16 121.22 1rze n LYS 228 Ca 0.06 -0.53 -0.30 0.00 -2.02 0.00 0.00 58.31 55.51 1rze n LYS 228 Cb 0.04 -1.49 0.10 0.00 -0.02 0.00 0.00 35.03 33.66 1rze n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rze s LEU 229 N -2.67 2.49 0.06 -0.35 1.43 -1.04 -4.86 118.68 113.74 1rze s LEU 229 Ca 0.17 1.30 0.08 0.00 -1.03 0.00 0.00 54.13 54.64 1rze s LEU 229 Cb 0.18 -3.85 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 1rze s LEU 229 CO 0.64 -2.12 -0.21 0.20 0.23 0.00 0.00 176.35 175.10 1rze s ASN 230 N -3.85 2.50 0.11 2.29 0.02 0.06 -0.01 114.94 116.05 1rze s ASN 230 Ca 0.61 -0.57 -0.11 0.00 -1.02 0.00 0.00 52.86 51.77 1rze s ASN 230 Cb -0.15 -0.19 -0.15 0.00 0.02 0.00 0.00 41.25 40.79 1rze s ASN 230 CO 0.54 0.13 1.29 -0.26 0.02 0.00 0.00 177.10 178.83 1rze h PHE 231 N 4.64 0.99 -4.26 2.20 0.04 -1.39 -3.35 116.94 115.81 1rze h PHE 231 Ca -0.44 -0.47 -0.49 0.00 2.80 0.00 0.00 57.97 59.37 1rze h PHE 231 Cb 1.17 -0.14 0.12 0.00 2.20 0.00 0.00 35.95 39.29 1rze h PHE 231 CO 0.53 1.29 0.33 0.54 -0.60 0.00 0.00 178.31 180.40 1rze s ASN 232 N -7.14 4.45 0.65 2.17 4.22 -1.26 -4.33 114.94 113.70 1rze s ASN 232 Ca -0.09 1.41 -0.10 0.00 -2.14 0.00 0.00 52.86 51.93 1rze s ASN 232 Cb 0.08 -2.15 -0.00 0.00 1.28 0.00 0.00 41.25 40.46 1rze s ASN 232 CO 0.90 -2.01 1.03 -0.83 -2.04 0.00 0.00 177.10 174.15 1rze s GLY 233 N -3.78 1.62 0.32 0.45 0.00 -1.26 -1.21 107.32 103.46 1rze s GLY 233 Ca 0.61 -0.34 -0.29 0.00 0.00 0.00 0.00 44.72 44.70 1rze s GLY 233 CO 0.55 -0.02 1.48 1.85 0.00 0.00 0.00 173.10 176.96 1rze s GLU 234 N -5.22 4.18 0.00 2.90 2.12 -1.26 -2.11 118.70 119.30 1rze s GLU 234 Ca 0.56 2.47 0.00 0.00 0.36 0.00 0.00 54.97 58.36 1rze s GLU 234 Cb -0.11 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.26 1rze s GLU 234 CO 0.51 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 1rze n GLY 235 N 1.27 0.77 3.93 -1.50 0.00 -1.26 -5.03 105.19 103.38 1rze n GLY 235 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1rze n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rze s GLU 236 N -0.10 3.11 0.34 1.61 2.02 -0.90 -5.05 118.70 119.73 1rze s GLU 236 Ca 0.00 -1.00 -0.29 0.00 0.02 0.00 0.00 54.97 53.70 1rze s GLU 236 Cb 0.00 -2.73 -0.11 0.00 0.10 0.00 0.00 34.13 31.39 1rze s GLU 236 CO 0.00 0.24 1.49 -2.14 0.02 0.00 0.00 175.26 174.87 1rze s PRO 237 N -4.02 4.15 0.02 0.39 0.02 -1.26 -4.90 135.00 129.40 1rze s PRO 237 Ca 0.39 2.51 -0.30 0.00 0.02 0.00 0.00 61.00 63.62 1rze s PRO 237 Cb -0.08 -3.01 -0.07 0.00 0.02 0.00 0.00 34.50 31.36 1rze s PRO 237 CO 0.29 -0.51 1.51 -2.00 -0.33 0.00 0.00 177.00 175.96 1rze s GLU 238 N -1.48 4.24 -0.20 5.54 2.12 -1.26 -4.74 118.70 122.93 1rze s GLU 238 Ca 0.56 2.12 -0.02 0.00 0.36 0.00 0.00 54.97 57.99 1rze s GLU 238 Cb -0.46 -3.60 0.06 0.00 0.26 0.00 0.00 34.13 30.39 1rze s GLU 238 CO 0.56 -0.65 0.02 -1.21 -0.54 0.00 0.00 175.26 173.44 1rze s GLU 239 N 2.58 0.79 0.33 4.30 2.02 -1.26 -5.06 118.70 122.40 1rze s GLU 239 Ca 0.68 -0.48 -0.29 0.00 0.02 0.00 0.00 54.97 54.90 1rze s GLU 239 Cb -0.35 -2.15 -0.11 0.00 0.10 0.00 0.00 34.13 31.63 1rze s GLU 239 CO 0.29 -0.62 1.42 -0.51 0.02 0.00 0.00 175.26 175.85 1rze s LEU 240 N 1.80 4.37 -0.80 1.80 1.43 -1.26 -1.14 118.68 124.88 1rze s LEU 240 Ca -0.01 2.84 -0.26 0.00 -1.03 0.00 0.00 54.13 55.67 1rze s LEU 240 Cb -0.17 -3.65 0.04 0.00 0.03 0.00 0.00 46.19 42.44 1rze s LEU 240 CO -0.08 -0.72 1.29 -0.32 0.23 0.00 0.00 176.35 176.75 1rze s MET 241 N -1.54 3.28 0.02 1.70 -2.45 0.98 -4.62 119.30 116.67 1rze s MET 241 Ca 0.53 -0.51 -0.05 0.00 -1.25 0.00 0.00 55.69 54.41 1rze s MET 241 Cb -0.43 -4.45 -0.01 0.00 1.25 0.00 0.00 34.83 31.19 1rze s MET 241 CO 0.54 -2.13 0.10 0.14 1.05 0.00 0.00 175.02 174.72 1rze s VAL 242 N 5.37 0.11 -1.35 10.11 -7.23 -1.26 -4.45 120.40 121.70 1rze s VAL 242 Ca 0.36 -0.90 -0.04 0.00 -1.81 0.00 0.00 61.98 59.59 1rze s VAL 242 Cb -0.07 -0.62 0.02 0.00 0.56 0.00 0.00 36.38 36.27 1rze s VAL 242 CO 0.09 -0.50 0.83 0.47 -0.31 0.00 0.00 175.10 175.68 1rze n ASP 243 N 1.16 -2.40 -2.82 4.85 8.00 -0.52 -4.87 116.55 119.95 1rze n ASP 243 Ca -0.21 -0.77 -0.34 0.00 0.71 0.00 0.00 54.79 54.18 1rze n ASP 243 Cb 0.57 -4.21 -0.01 0.00 -0.02 0.00 0.00 41.12 37.44 1rze n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1rze n ASN 244 N -3.01 7.05 -4.24 -2.24 6.94 -1.11 -4.91 115.26 113.75 1rze n ASN 244 Ca -0.20 -3.44 -0.26 0.00 -0.02 0.00 0.00 54.58 50.65 1rze n ASN 244 Cb 0.64 -1.19 -0.15 0.00 -2.36 0.00 0.00 39.78 36.72 1rze n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1rze s TRP 245 N -2.63 1.81 0.01 -2.53 1.48 -1.26 -4.63 118.94 111.19 1rze s TRP 245 Ca 0.55 -0.36 -0.11 0.00 -1.06 0.00 0.00 56.10 55.12 1rze s TRP 245 Cb 0.37 -1.11 -0.05 0.00 -1.16 0.00 0.00 33.47 31.51 1rze s TRP 245 CO -0.27 0.04 0.35 0.50 -4.06 0.00 0.00 176.95 173.51 1rze s ARG 246 N -0.90 3.74 0.78 3.25 3.52 -1.26 -5.00 118.95 123.09 1rze s ARG 246 Ca 0.08 0.18 -0.11 0.00 -0.13 0.00 0.00 55.73 55.75 1rze s ARG 246 Cb -0.08 -3.11 0.06 0.00 -1.56 0.00 0.00 34.95 30.25 1rze s ARG 246 CO 0.01 0.65 1.09 -1.25 -0.81 0.00 0.00 175.30 174.99 1rze s PRO 247 N -1.48 2.18 0.30 5.12 0.05 -1.26 -4.67 135.00 135.24 1rze s PRO 247 Ca 0.26 1.15 -0.30 0.00 0.05 0.00 0.00 61.00 62.17 1rze s PRO 247 Cb -0.15 -1.89 -0.12 0.00 0.05 0.00 0.00 34.50 32.40 1rze s PRO 247 CO 0.14 -1.69 1.51 0.00 0.05 0.00 0.00 177.00 177.00 1rze n ALA 248 N -3.56 2.08 -2.82 8.56 0.00 -1.26 -4.33 120.51 119.19 1rze n ALA 248 Ca 0.09 0.37 -0.23 0.00 0.00 0.00 0.00 53.44 53.68 1rze n ALA 248 Cb 0.53 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.54 1rze n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1rze s GLN 249 N -0.89 2.91 0.36 0.00 -1.52 0.14 -4.94 119.66 115.73 1rze s GLN 249 Ca 0.62 -1.03 -0.28 0.00 -1.95 0.00 0.00 55.36 52.72 1rze s GLN 249 Cb -0.53 -2.57 -0.11 0.00 -0.22 0.00 0.00 33.01 29.57 1rze s GLN 249 CO 0.53 0.42 1.49 -2.14 -0.25 0.00 0.00 175.29 175.34 1rze s PRO 250 N -3.71 4.12 0.21 2.91 0.02 -1.26 -4.54 135.00 132.76 1rze s PRO 250 Ca 0.32 2.56 -0.03 0.00 0.02 0.00 0.00 61.00 63.87 1rze s PRO 250 Cb -0.08 -2.98 0.17 0.00 0.02 0.00 0.00 34.50 31.63 1rze s PRO 250 CO 0.25 -0.53 1.59 1.25 -0.33 0.00 0.00 177.00 179.22 1rze h LEU 251 N 3.29 0.70 0.00 -5.54 5.85 -1.95 -3.45 115.31 114.22 1rze h LEU 251 Ca -0.50 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 57.92 1rze h LEU 251 Cb 1.24 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1rze h LEU 251 CO 0.66 0.99 0.00 0.29 -0.34 0.00 0.00 178.44 180.05 1rze n LYS 252 N -4.05 0.00 -0.94 1.25 5.02 -1.26 -3.01 118.16 115.16 1rze n LYS 252 Ca -0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.15 1rze n LYS 252 Cb 0.50 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.44 1rze n LYS 252 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1rze n ASN 253 N 2.19 5.68 -4.29 4.39 5.03 -1.26 -4.90 115.26 122.09 1rze n ASN 253 Ca 0.00 -2.68 -0.21 0.00 0.87 0.00 0.00 54.58 52.55 1rze n ASN 253 Cb 0.00 -1.26 -0.12 0.00 -1.02 0.00 0.00 39.78 37.39 1rze n ASN 253 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1rze s ARG 254 N -0.18 1.15 -0.11 3.52 0.52 -1.16 -5.13 118.95 117.55 1rze s ARG 254 Ca 0.42 -1.27 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 1rze s ARG 254 Cb 0.24 -1.24 -0.01 0.00 0.52 0.00 0.00 34.95 34.46 1rze s ARG 254 CO -0.04 0.26 -0.16 -1.14 0.02 0.00 0.00 175.30 174.24 1rze s GLN 255 N -2.43 3.19 -0.20 3.54 0.74 -1.26 -5.03 119.66 118.21 1rze s GLN 255 Ca 0.10 -0.74 -0.19 0.00 0.05 0.00 0.00 55.36 54.58 1rze s GLN 255 Cb -0.07 -2.51 -0.03 0.00 1.10 0.00 0.00 33.01 31.50 1rze s GLN 255 CO 0.05 0.25 0.54 0.42 -0.55 0.00 0.00 175.29 175.99 1rze s ILE 256 N 0.23 5.09 -0.04 -2.34 1.01 -1.26 -4.68 121.20 119.20 1rze s ILE 256 Ca -0.11 0.99 -0.03 0.00 0.00 0.00 0.00 60.65 61.51 1rze s ILE 256 Cb -0.16 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1rze s ILE 256 CO 0.06 0.16 0.12 -0.54 0.00 0.00 0.00 174.94 174.74 1rze s LYS 257 N 1.70 3.26 -0.00 2.79 1.02 -0.49 -1.59 119.74 126.43 1rze s LYS 257 Ca 0.25 -0.34 0.04 0.00 0.02 0.00 0.00 55.97 55.93 1rze s LYS 257 Cb -0.15 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.12 1rze s LYS 257 CO 0.10 0.69 -0.09 0.00 -0.92 0.00 0.00 175.35 175.13 1rze s ALA 258 N -1.16 2.92 -1.85 5.17 0.00 -0.11 -1.01 121.76 125.73 1rze s ALA 258 Ca 0.21 -1.03 0.28 0.00 0.00 0.00 0.00 51.96 51.43 1rze s ALA 258 Cb -0.12 -1.07 1.07 0.00 0.00 0.00 0.00 23.12 23.00 1rze s ALA 258 CO 0.12 0.60 1.76 -1.13 0.00 0.00 0.00 175.76 177.10 1rze n SER 259 N 1.69 0.81 -4.24 0.00 3.41 0.21 -1.55 113.62 113.94 1rze n SER 259 Ca -0.16 -0.86 -0.14 0.00 -0.26 0.00 0.00 58.87 57.46 1rze n SER 259 Cb 0.52 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 1rze n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1rze s PHE 260 N -2.38 1.25 0.00 7.33 -0.71 -1.26 -4.89 117.98 117.32 1rze s PHE 260 Ca 0.30 -1.19 0.00 0.00 -1.04 0.00 0.00 56.93 55.00 1rze s PHE 260 Cb 0.20 -0.70 0.00 0.00 -1.21 0.00 0.00 43.02 41.31 1rze s PHE 260 CO 0.46 -0.39 0.40 0.36 -1.34 0.00 0.00 175.22 174.70