#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxb n TYR 2 N 0.00 3.35 -3.71 3.17 4.01 -1.26 -5.02 117.16 117.69 1bxb n TYR 2 Ca 0.00 -3.00 -0.35 0.00 -0.16 0.00 0.00 57.90 54.39 1bxb n TYR 2 Cb 0.00 -0.21 -0.08 0.00 -0.31 0.00 0.00 39.34 38.74 1bxb n TYR 2 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1bxb s GLU 3 N -3.60 4.16 0.29 -0.72 0.41 -1.26 -4.71 118.70 113.28 1bxb s GLU 3 Ca 0.49 -0.18 -0.29 0.00 -0.41 0.00 0.00 54.97 54.57 1bxb s GLU 3 Cb 0.41 -3.41 -0.11 0.00 -1.78 0.00 0.00 34.13 29.24 1bxb s GLU 3 CO -0.20 0.32 1.47 -2.14 -0.49 0.00 0.00 175.26 174.21 1bxb s PRO 4 N 0.31 4.21 0.24 0.39 0.02 -1.26 -5.03 135.00 133.87 1bxb s PRO 4 Ca 0.09 2.41 0.09 0.00 0.02 0.00 0.00 61.00 63.61 1bxb s PRO 4 Cb -0.11 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.30 1bxb s PRO 4 CO -0.01 -0.46 -0.16 0.15 -0.33 0.00 0.00 177.00 176.19 1bxb s LYS 5 N -0.91 1.47 0.42 5.54 1.02 -1.26 -4.84 119.74 121.17 1bxb s LYS 5 Ca 0.58 -1.67 0.19 0.00 0.02 0.00 0.00 55.97 55.09 1bxb s LYS 5 Cb -0.44 -1.36 0.93 0.00 -0.52 0.00 0.00 37.83 36.45 1bxb s LYS 5 CO 0.49 0.23 1.87 -1.00 -0.92 0.00 0.00 175.35 176.02 1bxb h PRO 6 N 2.43 0.00 0.00 -1.68 0.13 -1.91 -1.28 132.00 129.69 1bxb h PRO 6 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1bxb h PRO 6 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1bxb h PRO 6 CO 0.62 0.29 0.00 -0.85 -0.23 0.00 0.00 178.00 177.83 1bxb n GLU 7 N -3.75 0.10 0.21 0.86 0.00 -1.26 -1.75 120.64 115.04 1bxb n GLU 7 Ca -0.01 0.36 0.09 0.00 0.00 0.00 0.00 57.16 57.60 1bxb n GLU 7 Cb 0.39 -1.69 0.32 0.00 0.00 0.00 0.00 31.44 30.46 1bxb n GLU 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1bxb h HIS 8 N 0.00 0.00 -5.81 -1.84 3.86 -1.63 -3.47 115.15 106.25 1bxb h HIS 8 Ca 0.00 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.82 1bxb h HIS 8 Cb 0.28 0.00 0.14 0.00 1.06 0.00 0.00 27.41 28.89 1bxb h HIS 8 CO 0.00 0.22 -0.69 0.54 0.86 0.00 0.00 177.93 178.87 1bxb n ARG 9 N -3.26 -7.82 -2.62 2.45 1.74 -0.72 -4.56 116.66 101.87 1bxb n ARG 9 Ca 0.01 0.83 -0.41 0.00 -0.77 0.00 0.00 57.85 57.51 1bxb n ARG 9 Cb 0.51 -5.88 -0.04 0.00 -1.02 0.00 0.00 32.46 26.03 1bxb n ARG 9 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1bxb s PHE 10 N -3.32 3.70 0.15 -1.55 0.08 -1.26 -0.51 117.98 115.26 1bxb s PHE 10 Ca 0.52 1.68 0.04 0.00 0.12 0.00 0.00 56.93 59.29 1bxb s PHE 10 Cb -0.23 -3.17 -0.04 0.00 -0.57 0.00 0.00 43.02 39.01 1bxb s PHE 10 CO 0.73 -0.23 -0.09 0.95 -0.10 0.00 0.00 175.22 176.48 1bxb s THR 11 N -0.04 1.08 -0.01 0.64 -4.23 -0.62 -0.03 115.64 112.43 1bxb s THR 11 Ca 0.49 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1bxb s THR 11 Cb -0.26 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.71 1bxb s THR 11 CO 0.32 -0.72 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.31 1bxb s PHE 12 N -3.38 0.19 0.65 3.99 0.40 -1.05 -2.18 117.98 116.60 1bxb s PHE 12 Ca 0.17 -0.01 -0.16 0.00 -0.60 0.00 0.00 56.93 56.34 1bxb s PHE 12 Cb 0.03 -0.20 -0.00 0.00 0.51 0.00 0.00 43.02 43.36 1bxb s PHE 12 CO 0.01 -0.04 1.13 0.20 0.70 0.00 0.00 175.22 177.21 1bxb s GLY 13 N 0.35 2.25 0.41 4.36 0.00 -1.26 -1.80 107.32 111.64 1bxb s GLY 13 Ca -0.03 0.63 0.08 0.00 0.00 0.00 0.00 44.72 45.40 1bxb s GLY 13 CO -0.01 0.99 2.05 1.41 0.00 0.00 0.00 173.10 177.54 1bxb h LEU 14 N 0.16 0.48 0.00 0.66 3.38 -1.29 -1.86 115.31 116.83 1bxb h LEU 14 Ca -0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1bxb h LEU 14 Cb 1.26 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1bxb h LEU 14 CO 0.54 0.34 0.00 -2.67 0.09 0.00 0.00 178.44 176.74 1bxb n TRP 15 N -4.47 0.00 -0.01 1.13 2.14 -1.26 -1.59 117.44 113.37 1bxb n TRP 15 Ca 0.04 0.00 -0.00 0.00 2.07 0.00 0.00 57.50 59.61 1bxb n TRP 15 Cb 0.10 -0.49 -0.00 0.00 -0.81 0.00 0.00 31.31 30.11 1bxb n TRP 15 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 1bxb h THR 16 N 0.00 0.00 0.00 -1.67 1.35 -1.57 -3.07 112.91 107.95 1bxb h THR 16 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1bxb h THR 16 Cb 0.33 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.75 1bxb h THR 16 CO 0.00 0.00 0.00 -0.37 -0.25 0.00 0.00 175.52 174.90 1bxb h VAL 17 N -0.26 0.00 -0.04 6.82 -1.51 -1.69 -2.82 116.25 116.76 1bxb h VAL 17 Ca 0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1bxb h VAL 17 Cb 0.05 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1bxb h VAL 17 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1bxb n GLY 18 N 0.34 -0.15 3.72 5.19 0.00 -0.62 -4.89 105.19 108.78 1bxb n GLY 18 Ca 0.02 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1bxb n GLY 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bxb s ASN 19 N -1.91 6.52 0.00 1.61 2.47 -1.07 -4.66 114.94 117.90 1bxb s ASN 19 Ca 0.38 2.72 0.27 0.00 0.42 0.00 0.00 52.86 56.66 1bxb s ASN 19 Cb 0.20 -2.60 0.87 0.00 -1.45 0.00 0.00 41.25 38.27 1bxb s ASN 19 CO 0.32 -0.86 1.64 1.33 -3.72 0.00 0.00 177.10 175.81 1bxb n VAL 20 N 3.62 0.00 -0.69 -5.21 0.24 -1.26 -4.91 118.33 110.12 1bxb n VAL 20 Ca 0.13 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1bxb n VAL 20 Cb 0.38 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 1bxb n VAL 20 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bxb n GLY 21 N 1.22 0.60 3.76 7.63 0.00 -1.26 -0.73 105.19 116.42 1bxb n GLY 21 Ca 0.17 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 1bxb n GLY 21 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bxb s ARG 22 N -1.39 4.63 0.23 1.61 3.52 -1.26 -4.07 118.95 122.21 1bxb s ARG 22 Ca 0.00 1.23 0.04 0.00 -0.13 0.00 0.00 55.73 56.87 1bxb s ARG 22 Cb 0.00 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 30.09 1bxb s ARG 22 CO 0.00 0.49 0.14 -0.40 -0.81 0.00 0.00 175.30 174.72 1bxb n ASP 23 N 1.84 0.23 0.07 -2.12 5.68 -0.99 -4.96 116.55 116.30 1bxb n ASP 23 Ca -0.04 -2.39 0.09 0.00 -0.50 0.00 0.00 54.79 51.95 1bxb n ASP 23 Cb 0.49 0.89 0.38 0.00 -1.14 0.00 0.00 41.12 41.74 1bxb n ASP 23 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 1bxb n PRO 24 N -0.48 0.09 -0.08 0.11 -0.02 -1.26 -2.77 135.00 130.59 1bxb n PRO 24 Ca 0.01 0.38 0.06 0.00 -2.02 0.00 0.00 63.50 61.93 1bxb n PRO 24 Cb 0.39 -1.70 0.09 0.00 -0.02 0.00 0.00 33.50 32.26 1bxb n PRO 24 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1bxb n PHE 25 N -1.88 0.00 -3.57 6.00 3.72 -1.26 -5.07 117.46 115.40 1bxb n PHE 25 Ca 0.02 -0.77 -0.15 0.00 -0.05 0.00 0.00 57.45 56.50 1bxb n PHE 25 Cb 0.17 -0.11 -0.06 0.00 -0.94 0.00 0.00 39.48 38.53 1bxb n PHE 25 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1bxb s GLY 26 N -2.18 -0.48 0.76 1.37 0.00 -1.12 -5.16 107.32 100.52 1bxb s GLY 26 Ca 0.20 1.77 -0.11 0.00 0.00 0.00 0.00 44.72 46.59 1bxb s GLY 26 CO 0.02 1.29 1.08 0.99 0.00 0.00 0.00 173.10 176.49 1bxb s ASP 27 N -0.57 4.69 0.41 1.64 1.01 -1.26 -2.34 116.67 120.25 1bxb s ASP 27 Ca -0.05 1.77 -0.26 0.00 0.71 0.00 0.00 52.55 54.73 1bxb s ASP 27 Cb -0.02 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.29 1bxb s ASP 27 CO 0.04 -1.91 1.21 0.00 0.21 0.00 0.00 175.17 174.72 1bxb n ALA 28 N -3.44 1.01 0.39 5.23 0.00 -1.26 -4.39 120.51 118.04 1bxb n ALA 28 Ca 0.09 0.27 0.04 0.00 0.00 0.00 0.00 53.44 53.84 1bxb n ALA 28 Cb 0.53 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.73 1bxb n ALA 28 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1bxb n VAL 29 N -0.20 0.00 -4.40 0.00 0.24 0.10 -4.90 118.33 109.17 1bxb n VAL 29 Ca 0.07 -0.34 -0.20 0.00 -2.04 0.00 0.00 64.34 61.83 1bxb n VAL 29 Cb 0.39 1.03 -0.10 0.00 -1.47 0.00 0.00 33.84 33.69 1bxb n VAL 29 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1bxb s ARG 30 N -1.61 1.47 0.29 7.34 0.52 -0.36 -4.96 118.95 121.64 1bxb s ARG 30 Ca 0.04 -1.72 -0.17 0.00 -0.52 0.00 0.00 55.73 53.37 1bxb s ARG 30 Cb 0.07 -1.10 -0.09 0.00 0.52 0.00 0.00 34.95 34.34 1bxb s ARG 30 CO 0.30 0.07 0.73 -1.21 0.02 0.00 0.00 175.30 175.21 1bxb s GLU 31 N -3.71 4.10 0.22 3.54 0.41 -1.26 -4.79 118.70 117.20 1bxb s GLU 31 Ca 0.27 0.75 -0.31 0.00 -0.41 0.00 0.00 54.97 55.28 1bxb s GLU 31 Cb 0.03 -2.60 -0.10 0.00 -1.78 0.00 0.00 34.13 29.68 1bxb s GLU 31 CO 0.10 0.24 1.50 0.50 -0.49 0.00 0.00 175.26 177.12 1bxb s ARG 32 N -2.61 4.23 0.09 1.61 3.52 -1.26 -4.89 118.95 119.65 1bxb s ARG 32 Ca 0.50 2.35 0.02 0.00 -0.13 0.00 0.00 55.73 58.47 1bxb s ARG 32 Cb -0.13 -3.12 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 1bxb s ARG 32 CO 0.19 -0.51 0.17 -0.51 -0.81 0.00 0.00 175.30 173.82 1bxb s LEU 33 N 0.18 4.11 0.01 -0.88 1.43 -1.26 -5.09 118.68 117.18 1bxb s LEU 33 Ca 0.64 0.12 -0.28 0.00 -1.03 0.00 0.00 54.13 53.57 1bxb s LEU 33 Cb -0.43 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 1bxb s LEU 33 CO 0.39 0.14 0.90 -0.62 0.23 0.00 0.00 176.35 177.39 1bxb s ASP 34 N -2.64 7.29 0.35 2.29 2.15 -1.26 -4.94 116.67 119.91 1bxb s ASP 34 Ca 0.33 1.56 0.12 0.00 0.43 0.00 0.00 52.55 54.99 1bxb s ASP 34 Cb -0.12 -2.53 0.96 0.00 -0.30 0.00 0.00 42.92 40.92 1bxb s ASP 34 CO 0.26 -0.18 1.75 -0.65 -0.17 0.00 0.00 175.17 176.17 1bxb h PRO 35 N 6.52 0.51 -0.14 4.34 0.11 -1.98 0.17 132.00 141.53 1bxb h PRO 35 Ca -0.42 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 1bxb h PRO 35 Cb 1.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1bxb h PRO 35 CO 0.74 0.34 -0.60 0.28 -0.21 0.00 0.00 178.00 178.55 1bxb h VAL 36 N 0.53 1.35 -0.43 3.15 2.07 -1.95 -2.19 116.25 118.77 1bxb h VAL 36 Ca 0.62 -1.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.17 1bxb h VAL 36 Cb 1.31 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1bxb h VAL 36 CO -0.41 0.58 -0.02 0.22 0.02 0.00 0.00 177.57 177.96 1bxb h TYR 37 N 0.34 0.85 0.00 1.57 3.20 -1.12 -2.51 116.97 119.30 1bxb h TYR 37 Ca -0.00 -0.16 -0.11 0.00 3.14 0.00 0.00 58.73 61.60 1bxb h TYR 37 Cb 1.13 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 1bxb h TYR 37 CO 0.04 0.85 -0.51 -0.39 -1.64 0.00 0.00 178.16 176.51 1bxb h VAL 38 N 0.61 1.17 -0.57 1.81 -1.51 -1.00 -2.06 116.25 114.71 1bxb h VAL 38 Ca 0.12 -1.88 0.00 0.00 -1.23 0.00 0.00 66.70 63.71 1bxb h VAL 38 Cb 0.53 2.07 -0.03 0.00 -2.13 0.00 0.00 31.29 31.73 1bxb h VAL 38 CO 0.03 0.50 0.36 0.58 -1.23 0.00 0.00 177.57 177.80 1bxb h VAL 39 N 0.00 1.16 -0.45 7.19 2.07 -1.27 0.25 116.25 125.20 1bxb h VAL 39 Ca -0.01 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.07 1bxb h VAL 39 Cb 1.03 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1bxb h VAL 39 CO 0.07 0.16 -0.18 0.45 0.02 0.00 0.00 177.57 178.08 1bxb h HIS 40 N 0.76 0.99 0.00 1.57 -0.00 -1.26 -1.90 115.15 115.32 1bxb h HIS 40 Ca 0.20 -0.22 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1bxb h HIS 40 Cb -0.05 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.12 1bxb h HIS 40 CO -0.03 0.99 -0.00 0.87 -0.00 0.00 0.00 177.93 179.76 1bxb h LYS 41 N 0.77 -0.00 -0.91 2.45 1.79 -0.93 -1.23 116.57 118.51 1bxb h LYS 41 Ca 0.11 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.60 1bxb h LYS 41 Cb 0.72 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.32 1bxb h LYS 41 CO 0.06 0.10 0.60 -0.07 -1.08 0.00 0.00 179.45 179.06 1bxb h LEU 42 N -0.10 1.03 -0.48 2.94 3.38 -0.93 0.16 115.31 121.31 1bxb h LEU 42 Ca -0.00 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1bxb h LEU 42 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1bxb h LEU 42 CO 0.00 0.73 -0.10 0.00 0.09 0.00 0.00 178.44 179.17 1bxb h ALA 43 N 1.44 0.66 -0.42 1.53 0.00 -1.21 -1.37 119.26 119.89 1bxb h ALA 43 Ca 0.34 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1bxb h ALA 43 Cb -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1bxb h ALA 43 CO -0.08 0.55 0.16 1.49 0.00 0.00 0.00 179.25 181.36 1bxb h GLU 44 N 0.76 0.60 0.00 0.00 4.81 -0.60 -2.61 114.58 117.55 1bxb h GLU 44 Ca 0.12 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1bxb h GLU 44 Cb 0.64 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1bxb h GLU 44 CO 0.04 0.51 0.00 -0.07 -0.73 0.00 0.00 179.01 178.76 1bxb h LEU 45 N 0.60 0.00 0.00 1.64 4.07 -0.08 -3.47 115.31 118.07 1bxb h LEU 45 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1bxb h LEU 45 Cb 0.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1bxb h LEU 45 CO -0.01 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.96 1bxb n GLY 46 N 0.87 0.75 3.69 0.83 0.00 -0.61 -4.77 105.19 105.94 1bxb n GLY 46 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1bxb n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxb n ALA 47 N -1.02 0.13 -0.03 4.61 0.00 -0.62 -4.46 120.51 119.13 1bxb n ALA 47 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.08 1bxb n ALA 47 Cb 0.00 -2.24 -0.14 0.00 0.00 0.00 0.00 19.45 17.06 1bxb n ALA 47 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1bxb n TYR 48 N -2.98 0.89 -3.80 0.00 9.36 0.95 -4.71 117.16 116.88 1bxb n TYR 48 Ca 0.14 0.31 -0.06 0.00 3.32 0.00 0.00 57.90 61.61 1bxb n TYR 48 Cb 0.50 -1.16 -0.02 0.00 -0.63 0.00 0.00 39.34 38.03 1bxb n TYR 48 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1bxb s GLY 49 N -5.20 -0.17 0.03 2.98 0.00 -1.16 -2.04 107.32 101.76 1bxb s GLY 49 Ca -0.07 -0.09 0.05 0.00 0.00 0.00 0.00 44.72 44.61 1bxb s GLY 49 CO 0.82 -0.04 -0.15 0.54 0.00 0.00 0.00 173.10 174.28 1bxb s VAL 50 N -3.67 1.16 0.39 1.40 0.11 -0.06 -2.54 120.40 117.20 1bxb s VAL 50 Ca 0.11 -0.95 0.08 0.00 -2.93 0.00 0.00 61.98 58.29 1bxb s VAL 50 Cb -0.04 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.72 1bxb s VAL 50 CO 0.04 0.08 0.15 0.20 -3.33 0.00 0.00 175.10 172.23 1bxb s ASN 51 N -1.00 4.40 -0.13 3.54 0.02 -0.74 -3.77 114.94 117.26 1bxb s ASN 51 Ca 0.03 -1.04 -0.29 0.00 -1.02 0.00 0.00 52.86 50.53 1bxb s ASN 51 Cb -0.07 -0.51 0.07 0.00 0.02 0.00 0.00 41.25 40.76 1bxb s ASN 51 CO 0.01 -0.47 0.72 -1.48 0.02 0.00 0.00 177.10 175.90 1bxb s LEU 52 N -3.86 -0.66 0.65 0.60 0.05 -1.15 -0.70 118.68 113.60 1bxb s LEU 52 Ca 0.40 0.92 -0.11 0.00 0.05 0.00 0.00 54.13 55.38 1bxb s LEU 52 Cb 0.03 2.46 -0.02 0.00 -2.05 0.00 0.00 46.19 46.61 1bxb s LEU 52 CO 0.22 -0.48 1.04 -1.00 -0.55 0.00 0.00 176.35 175.58 1bxb s HIS 53 N -0.69 3.48 0.20 3.48 3.76 -1.26 -2.22 115.29 122.05 1bxb s HIS 53 Ca -0.07 1.30 -0.10 0.00 -0.15 0.00 0.00 55.06 56.04 1bxb s HIS 53 Cb -0.02 -2.79 0.26 0.00 1.11 0.00 0.00 32.58 31.14 1bxb s HIS 53 CO 0.06 -0.86 1.76 0.38 -0.85 0.00 0.00 174.74 175.23 1bxb h ASP 54 N -0.44 0.28 0.66 1.40 2.03 -1.84 -1.52 116.42 116.99 1bxb h ASP 54 Ca -0.44 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 1bxb h ASP 54 Cb 1.20 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 1bxb h ASP 54 CO 0.61 0.17 0.00 -0.62 -1.03 0.00 0.00 179.24 178.37 1bxb n GLU 55 N -4.96 0.15 0.05 4.15 1.02 -1.25 -0.78 120.64 119.02 1bxb n GLU 55 Ca 0.08 0.08 -0.05 0.00 -0.02 0.00 0.00 57.16 57.25 1bxb n GLU 55 Cb 0.25 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.32 1bxb n GLU 55 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1bxb h ASP 56 N 0.00 0.41 0.00 1.62 3.32 -1.66 -3.36 116.42 116.75 1bxb h ASP 56 Ca 0.00 -0.19 -0.33 0.00 0.02 0.00 0.00 57.03 56.53 1bxb h ASP 56 Cb 0.33 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.71 1bxb h ASP 56 CO 0.00 0.80 -2.26 -0.11 -1.72 0.00 0.00 179.24 175.95 1bxb n LEU 57 N -4.00 2.62 -3.77 1.55 7.94 -0.85 -4.92 117.00 115.58 1bxb n LEU 57 Ca -0.02 -0.11 -0.29 0.00 -1.11 0.00 0.00 56.01 54.48 1bxb n LEU 57 Cb 0.52 -0.64 -0.15 0.00 0.53 0.00 0.00 43.42 43.68 1bxb n LEU 57 CO 0.44 0.82 -0.35 -0.63 -1.11 0.00 0.00 177.39 176.56 1bxb s ILE 58 N -2.44 0.91 0.62 1.96 1.01 0.04 -5.00 121.20 118.30 1bxb s ILE 58 Ca -0.27 -1.20 -0.19 0.00 0.00 0.00 0.00 60.65 58.99 1bxb s ILE 58 Cb 0.07 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 1bxb s ILE 58 CO 0.54 -0.49 1.32 -2.84 0.00 0.00 0.00 174.94 173.47 1bxb s PRO 59 N 1.63 2.71 0.18 2.79 0.02 -1.26 -3.89 135.00 137.18 1bxb s PRO 59 Ca 0.05 2.13 -0.33 0.00 0.02 0.00 0.00 61.00 62.87 1bxb s PRO 59 Cb -0.17 -1.96 -0.14 0.00 0.02 0.00 0.00 34.50 32.24 1bxb s PRO 59 CO -0.18 -1.49 1.53 0.54 -0.33 0.00 0.00 177.00 177.06 1bxb n ARG 60 N -1.65 2.09 -0.35 5.54 1.74 -1.26 -2.29 116.66 120.47 1bxb n ARG 60 Ca 0.14 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 1bxb n ARG 60 Cb 0.47 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.42 1bxb n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bxb n GLY 61 N 3.08 0.70 3.68 -0.13 0.00 -1.26 -5.03 105.19 106.23 1bxb n GLY 61 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1bxb n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bxb s THR 62 N -2.62 2.90 0.36 2.61 2.01 -0.97 -4.97 115.64 114.96 1bxb s THR 62 Ca 0.00 0.25 -0.28 0.00 0.31 0.00 0.00 61.69 61.97 1bxb s THR 62 Cb 0.00 -3.16 -0.10 0.00 0.01 0.00 0.00 72.50 69.25 1bxb s THR 62 CO 0.00 -0.01 1.34 -2.16 -0.69 0.00 0.00 174.62 173.10 1bxb s PRO 63 N 3.22 4.22 0.00 4.92 0.04 -1.26 -4.78 135.00 141.36 1bxb s PRO 63 Ca 0.80 2.27 0.00 0.00 0.04 0.00 0.00 61.00 64.11 1bxb s PRO 63 Cb -0.42 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1bxb s PRO 63 CO 0.36 -0.33 0.57 -0.35 0.04 0.00 0.00 177.00 177.29 1bxb n PRO 64 N 0.58 0.79 -0.07 0.56 -0.04 -1.26 -0.34 135.00 135.21 1bxb n PRO 64 Ca 0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.39 1bxb n PRO 64 Cb 0.42 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 1bxb n PRO 64 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1bxb n GLN 65 N -0.17 1.36 0.08 0.54 3.00 -1.26 -4.18 117.38 116.75 1bxb n GLN 65 Ca 0.00 0.02 -0.10 0.00 -0.01 0.00 0.00 57.00 56.92 1bxb n GLN 65 Cb 0.11 -1.36 -0.09 0.00 0.00 0.00 0.00 30.24 28.90 1bxb n GLN 65 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1bxb h GLU 66 N 0.00 0.11 -0.47 -1.09 4.81 -1.05 -3.22 114.58 113.67 1bxb h GLU 66 Ca -0.39 -0.17 0.06 0.00 -0.13 0.00 0.00 59.36 58.73 1bxb h GLU 66 Cb 1.80 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 31.18 1bxb h GLU 66 CO -0.00 1.04 0.16 -0.09 -0.73 0.00 0.00 179.01 179.39 1bxb h ARG 67 N 0.04 0.33 0.00 1.92 2.43 -1.56 -0.76 114.38 116.78 1bxb h ARG 67 Ca -0.05 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 1bxb h ARG 67 Cb 1.76 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.22 1bxb h ARG 67 CO 0.15 0.22 -0.34 -0.44 -1.51 0.00 0.00 179.97 178.04 1bxb h ASP 68 N 0.34 0.00 0.07 -3.80 3.32 -1.72 -0.76 116.42 113.86 1bxb h ASP 68 Ca 0.22 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.08 1bxb h ASP 68 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1bxb h ASP 68 CO -0.23 0.34 -0.72 -0.61 -1.72 0.00 0.00 179.24 176.30 1bxb h GLN 69 N 0.00 0.58 -0.04 3.56 5.75 -1.41 -2.27 115.11 121.27 1bxb h GLN 69 Ca -0.00 -0.46 -0.01 0.00 -0.15 0.00 0.00 58.65 58.03 1bxb h GLN 69 Cb 0.91 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.55 1bxb h GLN 69 CO 0.04 1.08 -0.01 0.82 -2.65 0.00 0.00 178.83 178.11 1bxb h ILE 70 N 0.40 1.30 -0.75 2.39 2.04 -0.25 -2.73 117.51 119.91 1bxb h ILE 70 Ca -0.03 -0.93 0.07 0.00 1.00 0.00 0.00 64.86 64.96 1bxb h ILE 70 Cb 1.31 1.85 -0.06 0.00 -0.74 0.00 0.00 36.82 39.19 1bxb h ILE 70 CO 0.14 0.25 0.43 0.58 0.00 0.00 0.00 178.15 179.55 1bxb h VAL 71 N -0.29 0.98 -0.10 1.67 2.07 -1.19 -0.88 116.25 118.51 1bxb h VAL 71 Ca 0.01 -0.27 -0.19 0.00 0.82 0.00 0.00 66.70 67.08 1bxb h VAL 71 Cb 0.41 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1bxb h VAL 71 CO 0.00 0.14 -0.71 0.08 0.02 0.00 0.00 177.57 177.11 1bxb h ARG 72 N 0.78 0.48 -0.48 1.57 -0.00 -1.44 0.20 114.38 115.49 1bxb h ARG 72 Ca 0.34 -0.37 -0.01 0.00 -0.00 0.00 0.00 59.98 59.93 1bxb h ARG 72 Cb 0.21 0.07 -0.02 0.00 -0.00 0.00 0.00 29.97 30.24 1bxb h ARG 72 CO -0.19 1.00 0.24 -0.09 -0.00 0.00 0.00 179.97 180.93 1bxb h ARG 73 N 0.33 0.68 -0.47 0.08 1.12 -1.28 -1.31 114.38 113.53 1bxb h ARG 73 Ca -0.03 -0.09 -0.01 0.00 -1.11 0.00 0.00 59.98 58.74 1bxb h ARG 73 Cb 1.28 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 31.10 1bxb h ARG 73 CO 0.13 0.56 0.25 0.35 -3.11 0.00 0.00 179.97 178.15 1bxb h PHE 74 N 0.63 0.66 -0.21 2.20 3.57 -0.79 -2.86 116.94 120.13 1bxb h PHE 74 Ca 0.17 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1bxb h PHE 74 Cb 0.10 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1bxb h PHE 74 CO -0.01 0.50 -0.05 0.87 -2.23 0.00 0.00 178.31 177.39 1bxb h LYS 75 N 0.62 0.32 -0.40 1.11 1.57 -0.44 -2.20 116.57 117.16 1bxb h LYS 75 Ca 0.16 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1bxb h LYS 75 Cb 0.08 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1bxb h LYS 75 CO -0.02 0.39 0.26 -0.22 -0.57 0.00 0.00 179.45 179.29 1bxb h LYS 76 N 0.31 0.52 -0.60 3.15 3.11 -1.02 0.27 116.57 122.31 1bxb h LYS 76 Ca 0.07 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.82 1bxb h LYS 76 Cb 0.30 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.39 1bxb h LYS 76 CO 0.01 0.35 0.17 0.00 -2.81 0.00 0.00 179.45 177.17 1bxb h ALA 77 N 1.14 1.16 -0.41 5.00 0.00 -1.24 0.58 119.26 125.50 1bxb h ALA 77 Ca 0.14 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1bxb h ALA 77 Cb -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1bxb h ALA 77 CO -0.03 0.58 -0.01 -0.07 0.00 0.00 0.00 179.25 179.72 1bxb h LEU 78 N 0.89 0.71 -0.14 0.00 3.38 -0.98 -0.26 115.31 118.92 1bxb h LEU 78 Ca 0.20 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1bxb h LEU 78 Cb 0.29 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1bxb h LEU 78 CO -0.00 0.85 -0.09 0.44 0.09 0.00 0.00 178.44 179.73 1bxb h ASP 79 N 0.56 -0.28 -0.75 -0.43 3.32 -0.47 0.63 116.42 119.00 1bxb h ASP 79 Ca 0.11 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.25 1bxb h ASP 79 Cb 0.49 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.15 1bxb h ASP 79 CO 0.02 -0.12 0.48 -0.33 -1.72 0.00 0.00 179.24 177.57 1bxb h GLU 80 N -0.09 0.91 0.00 3.56 5.08 -0.61 -3.21 114.58 120.22 1bxb h GLU 80 Ca 0.08 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.14 1bxb h GLU 80 Cb 0.21 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1bxb h GLU 80 CO -0.19 0.60 -1.74 0.25 -1.00 0.00 0.00 179.01 176.93 1bxb n THR 81 N -4.62 1.35 -0.73 1.13 -2.24 -0.13 -4.98 114.28 104.06 1bxb n THR 81 Ca 0.08 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1bxb n THR 81 Cb 0.07 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 1bxb n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxb n GLY 82 N 1.52 0.67 3.77 3.38 0.00 0.22 -5.03 105.19 109.72 1bxb n GLY 82 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1bxb n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxb s LEU 83 N 0.00 4.10 0.24 0.99 1.43 -1.19 -4.99 118.68 119.27 1bxb s LEU 83 Ca 0.00 2.38 0.02 0.00 -1.03 0.00 0.00 54.13 55.50 1bxb s LEU 83 Cb 0.00 -4.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.07 1bxb s LEU 83 CO 0.00 -0.84 0.41 -0.54 0.23 0.00 0.00 176.35 175.60 1bxb s LYS 84 N -2.49 3.48 -0.63 1.70 -0.14 -0.87 -4.77 119.74 116.02 1bxb s LYS 84 Ca 0.60 -0.51 -0.05 0.00 -1.36 0.00 0.00 55.97 54.66 1bxb s LYS 84 Cb -0.31 -2.83 0.16 0.00 -1.68 0.00 0.00 37.83 33.18 1bxb s LYS 84 CO 0.38 0.36 0.47 0.08 -0.76 0.00 0.00 175.35 175.89 1bxb s VAL 85 N -2.00 4.02 0.20 3.17 1.01 -1.26 -0.89 120.40 124.65 1bxb s VAL 85 Ca 0.37 -2.75 0.12 0.00 0.00 0.00 0.00 61.98 59.72 1bxb s VAL 85 Cb -0.10 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1bxb s VAL 85 CO 0.31 -0.88 1.57 -0.65 0.00 0.00 0.00 175.10 175.45 1bxb h PRO 86 N 7.31 0.00 -3.55 2.72 0.11 -1.88 -3.16 132.00 133.56 1bxb h PRO 86 Ca -0.02 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.89 1bxb h PRO 86 Cb 0.98 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.83 1bxb h PRO 86 CO 0.73 0.63 -0.61 1.41 -0.21 0.00 0.00 178.00 179.94 1bxb s MET 87 N -3.42 0.15 0.16 1.05 -2.45 -1.26 -1.19 119.30 112.33 1bxb s MET 87 Ca -0.00 0.04 0.02 0.00 -1.25 0.00 0.00 55.69 54.50 1bxb s MET 87 Cb 0.12 0.07 -0.05 0.00 1.25 0.00 0.00 34.83 36.22 1bxb s MET 87 CO 0.76 -0.02 -0.02 0.14 1.05 0.00 0.00 175.02 176.92 1bxb s VAL 88 N -0.16 0.77 -0.21 10.11 -7.23 -0.97 -2.93 120.40 119.77 1bxb s VAL 88 Ca -0.02 -1.99 -0.27 0.00 -1.81 0.00 0.00 61.98 57.90 1bxb s VAL 88 Cb -0.02 -2.02 0.07 0.00 0.56 0.00 0.00 36.38 34.97 1bxb s VAL 88 CO 0.00 -0.57 0.71 0.28 -0.31 0.00 0.00 175.10 175.21 1bxb s THR 89 N -3.59 0.00 0.36 5.32 -1.32 -0.94 -2.10 115.64 113.36 1bxb s THR 89 Ca 0.21 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.44 1bxb s THR 89 Cb 0.05 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.95 1bxb s THR 89 CO 0.02 0.00 1.04 0.00 -2.21 0.00 0.00 174.62 173.47 1bxb s ALA 90 N -0.02 3.17 -0.61 11.08 0.00 -1.26 -2.57 121.76 131.54 1bxb s ALA 90 Ca -0.03 0.71 -0.28 0.00 0.00 0.00 0.00 51.96 52.37 1bxb s ALA 90 Cb -0.04 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.84 1bxb s ALA 90 CO 0.03 -0.14 1.20 1.21 0.00 0.00 0.00 175.76 178.06 1bxb s ASN 91 N -1.44 6.38 -0.38 0.00 3.84 -1.26 -4.86 114.94 117.22 1bxb s ASN 91 Ca 0.54 -0.03 0.06 0.00 0.21 0.00 0.00 52.86 53.64 1bxb s ASN 91 Cb -0.23 -2.55 0.52 0.00 -0.55 0.00 0.00 41.25 38.44 1bxb s ASN 91 CO 0.30 -1.55 1.60 0.18 -2.79 0.00 0.00 177.10 174.83 1bxb n LEU 92 N 8.60 5.28 0.00 3.21 4.77 -1.26 -4.65 117.00 132.95 1bxb n LEU 92 Ca 0.07 -3.99 0.00 0.00 -0.03 0.00 0.00 56.01 52.06 1bxb n LEU 92 Cb 0.49 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1bxb n LEU 92 CO 0.71 1.39 -0.21 2.22 -1.33 0.00 0.00 177.39 180.18 1bxb n PHE 93 N -1.04 0.00 0.02 -1.77 1.16 -1.26 -4.62 117.46 109.95 1bxb n PHE 93 Ca 0.44 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.84 1bxb n PHE 93 Cb 1.08 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.82 1bxb n PHE 93 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 1bxb h SER 94 N 0.00 0.45 -2.30 5.98 0.02 -1.97 -3.45 113.55 112.28 1bxb h SER 94 Ca 0.00 -0.87 -0.57 0.00 -0.84 0.00 0.00 61.79 59.50 1bxb h SER 94 Cb 0.31 -0.14 0.05 0.00 0.14 0.00 0.00 62.40 62.75 1bxb h SER 94 CO 0.00 1.28 0.93 -0.67 -1.14 0.00 0.00 176.83 177.24 1bxb n ASP 95 N -4.21 3.42 0.23 3.07 -0.08 -1.26 -4.86 116.55 112.87 1bxb n ASP 95 Ca -0.12 1.04 0.18 0.00 -1.51 0.00 0.00 54.79 54.38 1bxb n ASP 95 Cb 0.73 -1.45 0.82 0.00 2.34 0.00 0.00 41.12 43.56 1bxb n ASP 95 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1bxb h PRO 96 N 7.13 0.00 0.00 -0.67 0.11 -2.02 -0.40 132.00 136.15 1bxb h PRO 96 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bxb h PRO 96 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1bxb h PRO 96 CO 0.92 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.69 1bxb h ALA 97 N 1.49 1.91 -0.14 -0.75 0.00 -1.96 -2.46 119.26 117.35 1bxb h ALA 97 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bxb h ALA 97 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1bxb h ALA 97 CO -0.00 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.46 1bxb n PHE 98 N -4.43 0.47 0.14 0.00 3.72 -0.16 -4.48 117.46 112.72 1bxb n PHE 98 Ca -0.03 -0.17 0.03 0.00 -0.05 0.00 0.00 57.45 57.23 1bxb n PHE 98 Cb 0.11 -0.18 0.41 0.00 -0.94 0.00 0.00 39.48 38.88 1bxb n PHE 98 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1bxb h LYS 99 N 0.97 0.18 -1.67 -1.08 2.10 -1.62 -2.06 116.57 113.39 1bxb h LYS 99 Ca 0.00 -0.04 -0.62 0.00 -2.00 0.00 0.00 60.65 57.99 1bxb h LYS 99 Cb 0.79 -0.02 -0.40 0.00 -0.90 0.00 0.00 32.23 31.70 1bxb h LYS 99 CO 0.11 0.34 -0.43 -3.47 -2.00 0.00 0.00 179.45 173.99 1bxb n ASP 100 N -4.27 5.14 0.00 7.07 2.03 -1.26 -5.07 116.55 120.19 1bxb n ASP 100 Ca -0.01 -3.73 0.00 0.00 0.52 0.00 0.00 54.79 51.56 1bxb n ASP 100 Cb 0.27 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1bxb n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bxb n GLY 101 N -0.46 2.49 0.00 0.27 0.00 -0.78 -3.51 105.19 103.21 1bxb n GLY 101 Ca 0.41 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1bxb n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxb n ALA 102 N 1.26 0.01 0.33 4.61 0.00 -1.26 -3.86 120.51 121.59 1bxb n ALA 102 Ca 0.00 -0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 1bxb n ALA 102 Cb 0.00 0.00 1.14 0.00 0.00 0.00 0.00 19.45 20.59 1bxb n ALA 102 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1bxb h PHE 103 N 0.00 0.00 -0.17 0.00 0.04 -1.89 -2.99 116.94 111.93 1bxb h PHE 103 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1bxb h PHE 103 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1bxb h PHE 103 CO 0.00 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 177.96 1bxb n THR 104 N -3.14 1.63 -1.89 -1.55 -2.24 -1.26 -4.45 114.28 101.38 1bxb n THR 104 Ca -0.03 -1.59 -0.41 0.00 -2.27 0.00 0.00 64.05 59.76 1bxb n THR 104 Cb 0.10 0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.40 1bxb n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1bxb s SER 105 N -1.75 6.46 0.47 3.42 0.15 -1.13 -4.73 113.70 116.60 1bxb s SER 105 Ca 0.27 2.94 0.31 0.00 0.70 0.00 0.00 55.95 60.17 1bxb s SER 105 Cb 0.21 -2.66 1.25 0.00 -1.71 0.00 0.00 66.02 63.11 1bxb s SER 105 CO 0.07 -0.78 1.91 1.55 1.20 0.00 0.00 173.24 177.19 1bxb h PRO 106 N 3.21 0.00 -5.51 5.44 0.13 -1.92 -3.43 132.00 129.92 1bxb h PRO 106 Ca -0.50 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.02 1bxb h PRO 106 Cb 1.23 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 1bxb h PRO 106 CO 0.65 0.00 0.09 0.34 -0.23 0.00 0.00 178.00 178.85 1bxb s ASP 107 N -5.33 6.57 0.55 1.44 -1.08 -1.26 -4.96 116.67 112.60 1bxb s ASP 107 Ca 0.02 0.69 0.33 0.00 -0.52 0.00 0.00 52.55 53.07 1bxb s ASP 107 Cb 0.09 -2.32 1.35 0.00 -1.46 0.00 0.00 42.92 40.58 1bxb s ASP 107 CO 0.51 -0.31 1.98 1.55 0.52 0.00 0.00 175.17 179.42 1bxb h PRO 108 N 7.78 0.00 -0.42 4.34 0.13 -2.00 -1.28 132.00 140.55 1bxb h PRO 108 Ca -0.29 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.78 1bxb h PRO 108 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1bxb h PRO 108 CO 0.76 0.00 0.01 -1.49 -0.23 0.00 0.00 178.00 177.05 1bxb h TRP 109 N 0.00 0.71 0.14 1.56 4.06 -1.96 0.53 115.95 120.99 1bxb h TRP 109 Ca -0.00 -0.08 -0.31 0.00 2.06 0.00 0.00 58.89 60.56 1bxb h TRP 109 Cb 0.52 -0.20 0.03 0.00 -1.00 0.00 0.00 29.16 28.51 1bxb h TRP 109 CO 0.00 0.67 -1.29 0.28 -3.56 0.00 0.00 178.44 174.54 1bxb h VAL 110 N 0.64 1.28 -0.55 1.49 2.07 -1.61 -0.53 116.25 119.03 1bxb h VAL 110 Ca 0.13 -2.50 0.02 0.00 0.82 0.00 0.00 66.70 65.17 1bxb h VAL 110 Cb 0.39 2.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 1bxb h VAL 110 CO 0.01 0.76 0.37 0.03 0.02 0.00 0.00 177.57 178.76 1bxb h ARG 111 N 0.26 0.68 -0.35 1.57 3.08 -1.28 0.13 114.38 118.47 1bxb h ARG 111 Ca -0.20 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 1bxb h ARG 111 Cb 1.97 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.85 1bxb h ARG 111 CO 0.25 0.45 -0.01 0.00 -1.07 0.00 0.00 179.97 179.59 1bxb h ALA 112 N 1.67 0.48 -0.30 0.04 0.00 -0.75 -1.06 119.26 119.32 1bxb h ALA 112 Ca 0.21 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1bxb h ALA 112 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1bxb h ALA 112 CO -0.05 0.25 0.18 -0.92 0.00 0.00 0.00 179.25 178.71 1bxb h TYR 113 N 0.44 0.34 -0.58 0.00 3.20 -0.26 -0.08 116.97 120.03 1bxb h TYR 113 Ca 0.10 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.02 1bxb h TYR 113 Cb 0.47 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 1bxb h TYR 113 CO 0.04 0.21 0.32 0.00 -1.64 0.00 0.00 178.16 177.09 1bxb h ALA 114 N 1.13 0.76 -0.48 1.82 0.00 -0.62 0.48 119.26 122.34 1bxb h ALA 114 Ca 0.12 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1bxb h ALA 114 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1bxb h ALA 114 CO -0.05 0.01 0.06 1.25 0.00 0.00 0.00 179.25 180.52 1bxb h LEU 115 N 0.62 0.78 -0.08 0.00 5.85 -0.92 -2.45 115.31 119.11 1bxb h LEU 115 Ca 0.25 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1bxb h LEU 115 Cb 0.12 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1bxb h LEU 115 CO -0.15 0.86 0.05 -0.09 -0.34 0.00 0.00 178.44 178.77 1bxb h ARG 116 N 0.68 0.11 -0.50 1.25 2.43 -0.46 -1.07 114.38 116.81 1bxb h ARG 116 Ca 0.14 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 1bxb h ARG 116 Cb 0.43 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1bxb h ARG 116 CO 0.01 0.11 0.34 -0.22 -1.51 0.00 0.00 179.97 178.70 1bxb h LYS 117 N 0.07 0.32 -0.06 0.20 3.64 -0.91 -0.77 116.57 119.07 1bxb h LYS 117 Ca 0.03 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 1bxb h LYS 117 Cb 0.03 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1bxb h LYS 117 CO -0.01 0.21 -0.54 0.77 -2.27 0.00 0.00 179.45 177.62 1bxb h SER 118 N 0.33 0.58 -0.81 4.20 0.02 -0.87 -2.25 113.55 114.75 1bxb h SER 118 Ca 0.23 -0.69 0.04 0.00 -0.84 0.00 0.00 61.79 60.53 1bxb h SER 118 Cb 0.46 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 1bxb h SER 118 CO -0.05 1.18 0.51 -0.07 -1.14 0.00 0.00 176.83 177.25 1bxb h LEU 119 N 0.02 0.82 -0.99 5.07 3.38 -0.56 -0.24 115.31 122.81 1bxb h LEU 119 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1bxb h LEU 119 Cb 1.21 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1bxb h LEU 119 CO 0.11 0.55 0.48 -0.33 0.09 0.00 0.00 178.44 179.33 1bxb h GLU 120 N 0.96 1.18 -0.03 1.13 5.08 -1.15 -0.55 114.58 121.20 1bxb h GLU 120 Ca 0.33 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 1bxb h GLU 120 Cb 0.07 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1bxb h GLU 120 CO -0.14 0.86 -0.64 1.15 -1.00 0.00 0.00 179.01 179.24 1bxb h THR 121 N 1.19 1.42 -0.54 1.13 2.02 -0.96 -1.40 112.91 115.77 1bxb h THR 121 Ca 0.30 -2.11 -0.03 0.00 0.77 0.00 0.00 66.41 65.34 1bxb h THR 121 Cb 0.01 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1bxb h THR 121 CO -0.05 0.61 0.22 0.24 0.37 0.00 0.00 175.52 176.92 1bxb h MET 122 N 0.10 0.80 -0.44 6.66 2.86 -0.36 -0.08 114.93 124.47 1bxb h MET 122 Ca -0.01 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1bxb h MET 122 Cb 1.15 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 1bxb h MET 122 CO 0.09 0.69 0.20 -0.44 1.06 0.00 0.00 176.91 178.51 1bxb h ASP 123 N 0.73 0.59 -0.27 1.22 3.32 -0.90 -1.64 116.42 119.48 1bxb h ASP 123 Ca 0.18 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.12 1bxb h ASP 123 Cb 0.19 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1bxb h ASP 123 CO -0.02 0.57 0.06 0.25 -1.72 0.00 0.00 179.24 178.38 1bxb h LEU 124 N 0.57 0.03 -1.19 1.55 5.85 -1.02 -2.29 115.31 118.81 1bxb h LEU 124 Ca 0.15 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1bxb h LEU 124 Cb 0.15 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1bxb h LEU 124 CO -0.02 0.05 0.07 1.23 -0.34 0.00 0.00 178.44 179.44 1bxb h GLY 125 N 0.16 0.68 1.07 3.75 0.00 -0.85 -2.13 103.07 105.75 1bxb h GLY 125 Ca 0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1bxb h GLY 125 CO -0.16 0.36 0.44 0.00 0.00 0.00 0.00 176.54 177.18 1bxb h ALA 126 N 1.47 1.17 -1.00 3.60 0.00 -0.85 0.15 119.26 123.79 1bxb h ALA 126 Ca 0.14 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1bxb h ALA 126 Cb 0.28 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1bxb h ALA 126 CO 0.00 0.65 0.65 0.93 0.00 0.00 0.00 179.25 181.48 1bxb h GLU 127 N 1.20 1.14 -0.00 0.00 5.08 -0.86 -2.84 114.58 118.30 1bxb h GLU 127 Ca 0.30 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1bxb h GLU 127 Cb 0.07 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1bxb h GLU 127 CO -0.04 0.75 -0.40 1.28 -1.00 0.00 0.00 179.01 179.60 1bxb n LEU 128 N -4.50 0.44 0.00 1.33 4.77 -0.55 -4.95 117.00 113.53 1bxb n LEU 128 Ca 0.15 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1bxb n LEU 128 Cb 0.19 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1bxb n LEU 128 CO 0.32 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1bxb n GLY 129 N 1.49 0.72 3.76 -0.72 0.00 0.29 -4.46 105.19 106.28 1bxb n GLY 129 Ca 0.06 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 1bxb n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxb s ALA 130 N -2.00 3.14 -0.08 4.61 0.00 0.09 -4.81 121.76 122.72 1bxb s ALA 130 Ca 0.00 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.28 1bxb s ALA 130 Cb 0.00 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.54 1bxb s ALA 130 CO 0.00 -1.01 0.13 -0.85 0.00 0.00 0.00 175.76 174.03 1bxb n GLU 131 N -0.23 2.13 -5.25 0.00 0.28 -0.34 -4.69 120.64 112.53 1bxb n GLU 131 Ca 0.06 -0.03 -0.31 0.00 -0.16 0.00 0.00 57.16 56.72 1bxb n GLU 131 Cb 0.44 -0.96 -0.16 0.00 1.43 0.00 0.00 31.44 32.19 1bxb n GLU 131 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1bxb s ILE 132 N -1.97 2.13 -0.19 3.84 1.01 -0.49 -1.98 121.20 123.55 1bxb s ILE 132 Ca -0.00 -1.06 -0.00 0.00 0.00 0.00 0.00 60.65 59.58 1bxb s ILE 132 Cb 0.03 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.75 1bxb s ILE 132 CO 0.18 0.58 -0.15 -0.47 0.00 0.00 0.00 174.94 175.07 1bxb s TYR 133 N -0.39 2.83 -0.14 3.97 6.14 -0.60 -2.30 117.35 126.87 1bxb s TYR 133 Ca 0.03 -1.43 -0.07 0.00 0.64 0.00 0.00 57.07 56.24 1bxb s TYR 133 Cb -0.12 -1.97 -0.04 0.00 0.42 0.00 0.00 41.96 40.24 1bxb s TYR 133 CO 0.01 -0.73 0.13 0.08 0.64 0.00 0.00 175.55 175.69 1bxb s VAL 134 N 1.34 5.44 -0.28 3.14 1.01 -0.89 -0.48 120.40 129.67 1bxb s VAL 134 Ca 0.05 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 1bxb s VAL 134 Cb -0.13 -3.39 0.05 0.00 0.00 0.00 0.00 36.38 32.90 1bxb s VAL 134 CO -0.10 0.58 -0.03 -0.69 0.00 0.00 0.00 175.10 174.86 1bxb s VAL 135 N -0.72 2.84 -0.34 2.92 1.01 -0.83 -4.47 120.40 120.81 1bxb s VAL 135 Ca 0.13 -1.35 -0.11 0.00 0.00 0.00 0.00 61.98 60.65 1bxb s VAL 135 Cb -0.12 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1bxb s VAL 135 CO 0.03 -0.03 0.20 0.86 0.00 0.00 0.00 175.10 176.16 1bxb s TRP 136 N 1.25 3.21 -1.03 5.22 -0.00 -1.26 -0.95 118.94 125.37 1bxb s TRP 136 Ca -0.05 -0.47 -0.07 0.00 -0.00 0.00 0.00 56.10 55.51 1bxb s TRP 136 Cb -0.19 -2.43 -0.07 0.00 -0.00 0.00 0.00 33.47 30.78 1bxb s TRP 136 CO -0.02 -0.45 2.98 -0.35 -0.00 0.00 0.00 176.95 179.11 1bxb n PRO 137 N 5.04 3.33 0.30 5.86 -0.04 -1.26 -4.70 135.00 143.53 1bxb n PRO 137 Ca -0.13 -2.19 0.16 0.00 -0.04 0.00 0.00 63.50 61.29 1bxb n PRO 137 Cb 0.49 -2.49 0.94 0.00 -0.04 0.00 0.00 33.50 32.39 1bxb n PRO 137 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1bxb h GLY 138 N 5.85 0.00 -0.62 0.55 0.00 -1.92 -0.75 103.07 106.18 1bxb h GLY 138 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.95 1bxb h GLY 138 CO 1.24 0.00 -0.23 -2.13 0.00 0.00 0.00 176.54 175.41 1bxb n ARG 139 N -3.78 1.80 -2.90 4.80 3.00 -1.26 -3.82 116.66 114.49 1bxb n ARG 139 Ca -0.03 -0.75 -0.44 0.00 -0.00 0.00 0.00 57.85 56.63 1bxb n ARG 139 Cb 0.08 -1.17 -0.01 0.00 0.00 0.00 0.00 32.46 31.36 1bxb n ARG 139 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1bxb s GLU 140 N -1.53 3.92 0.00 -0.14 0.41 -0.29 -3.08 118.70 117.99 1bxb s GLU 140 Ca 0.11 -2.25 0.00 0.00 -0.41 0.00 0.00 54.97 52.42 1bxb s GLU 140 Cb 0.10 -5.06 0.00 0.00 -1.78 0.00 0.00 34.13 27.39 1bxb s GLU 140 CO 0.30 -1.82 0.00 0.41 -0.49 0.00 0.00 175.26 173.66 1bxb n GLY 141 N 4.71 1.81 3.37 -1.39 0.00 -1.26 -1.24 105.19 111.19 1bxb n GLY 141 Ca 0.34 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1bxb n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxb s ALA 142 N -1.00 -1.24 0.00 4.61 0.00 -0.62 -4.86 121.76 118.65 1bxb s ALA 142 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1bxb s ALA 142 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1bxb s ALA 142 CO 0.00 -0.52 0.27 -0.85 0.00 0.00 0.00 175.76 174.66 1bxb n GLU 143 N 0.33 0.04 -3.82 0.00 0.00 -1.26 -2.69 120.64 113.24 1bxb n GLU 143 Ca -0.18 -0.27 -0.30 0.00 0.00 0.00 0.00 57.16 56.41 1bxb n GLU 143 Cb 0.61 -0.74 -0.15 0.00 0.00 0.00 0.00 31.44 31.15 1bxb n GLU 143 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1bxb s VAL 144 N -0.08 1.16 -1.31 3.84 1.01 -1.26 -4.96 120.40 118.80 1bxb s VAL 144 Ca 0.00 -1.37 0.28 0.00 0.00 0.00 0.00 61.98 60.89 1bxb s VAL 144 Cb 0.00 -1.75 0.31 0.00 0.00 0.00 0.00 36.38 34.95 1bxb s VAL 144 CO 0.00 -0.48 1.81 1.21 0.00 0.00 0.00 175.10 177.65 1bxb n GLU 145 N 4.76 0.33 0.22 2.72 4.07 -1.26 -3.91 120.64 127.56 1bxb n GLU 145 Ca -0.04 -0.10 0.15 0.00 -0.06 0.00 0.00 57.16 57.12 1bxb n GLU 145 Cb 0.43 -1.50 0.70 0.00 -0.06 0.00 0.00 31.44 31.02 1bxb n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bxb h ALA 146 N 3.30 1.00 -0.08 4.31 0.00 -2.05 -2.25 119.26 123.48 1bxb h ALA 146 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1bxb h ALA 146 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1bxb h ALA 146 CO 0.00 0.00 -0.42 1.79 0.00 0.00 0.00 179.25 180.62 1bxb h THR 147 N 0.00 1.31 0.00 0.00 1.35 -2.03 -3.47 112.91 110.07 1bxb h THR 147 Ca 0.00 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 1bxb h THR 147 Cb 0.27 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1bxb h THR 147 CO 0.00 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 1bxb n GLY 148 N -0.20 0.51 0.28 5.82 0.00 -0.85 -4.92 105.19 105.83 1bxb n GLY 148 Ca -0.02 -0.29 0.18 0.00 0.00 0.00 0.00 46.02 45.90 1bxb n GLY 148 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bxb h LYS 149 N 0.90 0.00 0.00 1.61 3.64 -1.90 -2.86 116.57 117.96 1bxb h LYS 149 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1bxb h LYS 149 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1bxb h LYS 149 CO 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 179.45 177.15 1bxb h ALA 150 N 2.01 1.40 0.00 5.00 0.00 -1.91 0.72 119.26 126.49 1bxb h ALA 150 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bxb h ALA 150 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bxb h ALA 150 CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1bxb h ARG 151 N 0.00 0.00 0.00 0.00 2.47 -1.93 -3.34 114.38 111.58 1bxb h ARG 151 Ca -0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1bxb h ARG 151 Cb 0.09 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1bxb h ARG 151 CO 0.00 0.00 -1.77 1.63 0.56 0.00 0.00 179.97 180.40 1bxb n LYS 152 N -2.72 0.54 0.20 0.04 5.02 0.22 -4.60 118.16 116.86 1bxb n LYS 152 Ca 0.03 -0.15 0.08 0.00 -2.02 0.00 0.00 58.31 56.26 1bxb n LYS 152 Cb 0.38 -1.39 0.38 0.00 -0.02 0.00 0.00 35.03 34.38 1bxb n LYS 152 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1bxb h VAL 153 N 0.00 0.66 -0.34 -0.18 -1.51 -1.62 -3.05 116.25 110.22 1bxb h VAL 153 Ca -0.02 -1.33 -0.08 0.00 -1.23 0.00 0.00 66.70 64.04 1bxb h VAL 153 Cb 0.80 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.83 1bxb h VAL 153 CO 0.00 0.28 -0.11 -0.50 -1.23 0.00 0.00 177.57 176.01 1bxb h TRP 154 N 0.00 0.76 -0.44 5.19 4.06 -1.82 -1.09 115.95 122.62 1bxb h TRP 154 Ca -0.00 -0.17 -0.12 0.00 2.06 0.00 0.00 58.89 60.66 1bxb h TRP 154 Cb 0.85 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.82 1bxb h TRP 154 CO 0.00 0.85 -0.20 -0.44 -3.56 0.00 0.00 178.44 175.09 1bxb h ASP 155 N 0.45 0.88 -0.37 -3.49 3.32 -1.85 -1.71 116.42 113.65 1bxb h ASP 155 Ca 0.08 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 1bxb h ASP 155 Cb 0.62 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1bxb h ASP 155 CO 0.04 1.05 0.11 -0.50 -1.72 0.00 0.00 179.24 178.23 1bxb h TRP 156 N 0.76 0.59 0.00 4.55 6.55 -1.40 -1.08 115.95 125.91 1bxb h TRP 156 Ca 0.11 -0.06 -0.10 0.00 0.95 0.00 0.00 58.89 59.78 1bxb h TRP 156 Cb 0.73 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.85 1bxb h TRP 156 CO 0.04 0.57 -0.50 -0.24 -1.05 0.00 0.00 178.44 177.26 1bxb h VAL 157 N 0.44 0.96 -0.09 1.49 3.04 -1.16 -2.35 116.25 118.59 1bxb h VAL 157 Ca 0.12 -2.03 -0.00 0.00 -1.01 0.00 0.00 66.70 63.78 1bxb h VAL 157 Cb 0.26 2.24 -0.00 0.00 -2.01 0.00 0.00 31.29 31.77 1bxb h VAL 157 CO -0.00 0.49 0.05 -0.09 -1.01 0.00 0.00 177.57 177.00 1bxb h ARG 158 N 0.00 0.12 -0.55 4.17 2.43 -1.15 -2.24 114.38 117.16 1bxb h ARG 158 Ca -0.00 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1bxb h ARG 158 Cb 1.20 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.68 1bxb h ARG 158 CO 0.06 0.17 0.28 1.49 -1.51 0.00 0.00 179.97 180.47 1bxb h GLU 159 N 0.04 0.53 -0.08 0.20 4.81 -1.05 0.00 114.58 119.03 1bxb h GLU 159 Ca 0.03 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bxb h GLU 159 Cb 0.09 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1bxb h GLU 159 CO -0.00 0.35 0.04 0.00 -0.73 0.00 0.00 179.01 178.66 1bxb h ALA 160 N 1.30 0.10 -0.09 2.92 0.00 -1.40 -1.90 119.26 120.18 1bxb h ALA 160 Ca 0.25 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1bxb h ALA 160 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1bxb h ALA 160 CO -0.17 -0.34 -0.53 -0.07 0.00 0.00 0.00 179.25 178.14 1bxb h LEU 161 N -0.00 0.29 -0.57 0.00 3.38 -1.24 -0.10 115.31 117.07 1bxb h LEU 161 Ca 0.03 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1bxb h LEU 161 Cb 0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1bxb h LEU 161 CO -0.00 0.77 -0.19 0.78 0.09 0.00 0.00 178.44 179.88 1bxb h ASN 162 N 0.21 0.95 -0.36 -0.43 2.35 -0.97 -1.59 115.58 115.75 1bxb h ASN 162 Ca 0.00 -0.35 -0.05 0.00 -0.55 0.00 0.00 56.30 55.35 1bxb h ASN 162 Cb 1.00 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 1bxb h ASN 162 CO 0.08 1.12 0.01 0.15 -1.65 0.00 0.00 177.43 177.14 1bxb h PHE 163 N 0.82 0.68 -0.61 1.19 3.04 -0.60 -1.50 116.94 119.95 1bxb h PHE 163 Ca 0.11 -0.11 0.01 0.00 3.98 0.00 0.00 57.97 61.96 1bxb h PHE 163 Cb 0.75 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.05 1bxb h PHE 163 CO 0.05 0.72 0.40 0.52 -2.02 0.00 0.00 178.31 177.98 1bxb h MET 164 N 0.44 0.79 -0.17 1.11 2.86 -0.93 -0.11 114.93 118.92 1bxb h MET 164 Ca 0.10 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.55 1bxb h MET 164 Cb 0.44 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1bxb h MET 164 CO 0.02 0.52 -0.49 0.00 1.06 0.00 0.00 176.91 178.02 1bxb h ALA 165 N 1.23 0.84 -0.43 6.32 0.00 -1.11 -2.04 119.26 124.07 1bxb h ALA 165 Ca 0.23 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1bxb h ALA 165 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1bxb h ALA 165 CO -0.06 0.67 -0.27 0.00 0.00 0.00 0.00 179.25 179.59 1bxb h ALA 166 N 1.11 0.72 -0.63 0.00 0.00 -0.96 -2.14 119.26 117.36 1bxb h ALA 166 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1bxb h ALA 166 Cb 0.99 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1bxb h ALA 166 CO 0.09 0.67 0.40 -0.92 0.00 0.00 0.00 179.25 179.49 1bxb h TYR 167 N 0.77 0.81 -0.61 0.00 3.20 -0.95 0.47 116.97 120.67 1bxb h TYR 167 Ca 0.09 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 1bxb h TYR 167 Cb 0.83 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1bxb h TYR 167 CO 0.05 0.53 0.07 0.00 -1.64 0.00 0.00 178.16 177.17 1bxb h ALA 168 N 1.22 0.98 -0.27 1.82 0.00 -1.28 -0.53 119.26 121.20 1bxb h ALA 168 Ca 0.23 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bxb h ALA 168 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1bxb h ALA 168 CO -0.05 0.64 0.16 1.49 0.00 0.00 0.00 179.25 181.49 1bxb h GLU 169 N 0.94 0.37 -0.42 0.00 4.81 -0.77 0.11 114.58 119.62 1bxb h GLU 169 Ca 0.18 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1bxb h GLU 169 Cb 0.44 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1bxb h GLU 169 CO 0.02 0.29 -0.01 0.22 -0.73 0.00 0.00 179.01 178.79 1bxb h ASP 170 N 0.34 0.65 1.33 1.04 3.58 -0.65 -2.06 116.42 120.66 1bxb h ASP 170 Ca 0.10 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1bxb h ASP 170 Cb 0.01 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.89 1bxb h ASP 170 CO -0.02 0.73 -0.24 1.56 -2.88 0.00 0.00 179.24 178.39 1bxb h GLN 171 N 0.64 0.00 0.00 0.28 1.08 -0.95 -3.48 115.11 112.69 1bxb h GLN 171 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1bxb h GLN 171 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1bxb h GLN 171 CO 0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.31 1bxb n GLY 172 N 1.28 0.47 3.76 3.46 0.00 -0.57 -5.04 105.19 108.56 1bxb n GLY 172 Ca 0.04 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 1bxb n GLY 172 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxb s TYR 173 N -2.00 3.62 -0.41 1.61 2.02 -0.08 -4.97 117.35 117.14 1bxb s TYR 173 Ca 0.00 1.74 0.04 0.00 -0.37 0.00 0.00 57.07 58.47 1bxb s TYR 173 Cb 0.00 -3.20 0.60 0.00 -0.40 0.00 0.00 41.96 38.96 1bxb s TYR 173 CO 0.00 -0.35 1.84 0.41 -1.57 0.00 0.00 175.55 175.88 1bxb n GLY 174 N 1.12 4.28 3.76 0.71 0.00 -1.26 -4.53 105.19 109.27 1bxb n GLY 174 Ca -0.00 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1bxb n GLY 174 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxb s TYR 175 N -2.99 2.83 -0.16 1.61 2.02 -1.26 -4.92 117.35 114.48 1bxb s TYR 175 Ca 0.52 1.00 -0.08 0.00 -0.37 0.00 0.00 57.07 58.14 1bxb s TYR 175 Cb 0.43 -3.94 -0.04 0.00 -0.40 0.00 0.00 41.96 38.01 1bxb s TYR 175 CO 0.10 -3.00 0.10 1.03 -1.57 0.00 0.00 175.55 172.21 1bxb s ARG 176 N -0.93 3.82 -0.13 -0.62 0.52 -0.84 -4.97 118.95 115.81 1bxb s ARG 176 Ca 0.58 -0.25 -0.16 0.00 -0.52 0.00 0.00 55.73 55.38 1bxb s ARG 176 Cb -0.45 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 31.74 1bxb s ARG 176 CO 0.50 0.46 0.41 -0.06 0.02 0.00 0.00 175.30 176.63 1bxb s PHE 177 N -0.13 3.51 -0.25 -0.53 0.40 0.77 -1.55 117.98 120.19 1bxb s PHE 177 Ca 0.09 0.79 0.03 0.00 -0.60 0.00 0.00 56.93 57.24 1bxb s PHE 177 Cb -0.12 -2.46 0.06 0.00 0.51 0.00 0.00 43.02 41.01 1bxb s PHE 177 CO 0.01 0.22 -0.12 0.00 0.70 0.00 0.00 175.22 176.03 1bxb s ALA 178 N 0.47 2.53 -0.01 5.36 0.00 0.36 -0.03 121.76 130.44 1bxb s ALA 178 Ca 0.22 -1.70 -0.25 0.00 0.00 0.00 0.00 51.96 50.24 1bxb s ALA 178 Cb -0.14 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 1bxb s ALA 178 CO 0.08 -1.10 0.76 -0.51 0.00 0.00 0.00 175.76 174.99 1bxb s LEU 179 N 1.13 4.38 -0.40 0.00 1.02 -0.31 -1.97 118.68 122.52 1bxb s LEU 179 Ca -0.07 1.34 -0.02 0.00 0.02 0.00 0.00 54.13 55.40 1bxb s LEU 179 Cb -0.19 -3.19 0.11 0.00 0.02 0.00 0.00 46.19 42.93 1bxb s LEU 179 CO -0.06 -0.08 0.19 -0.70 0.02 0.00 0.00 176.35 175.72 1bxb s GLU 180 N 0.47 1.94 0.54 1.70 2.12 -0.13 -0.38 118.70 124.97 1bxb s GLU 180 Ca 0.39 -1.85 -0.17 0.00 0.36 0.00 0.00 54.97 53.70 1bxb s GLU 180 Cb -0.19 -3.53 -0.06 0.00 0.26 0.00 0.00 34.13 30.61 1bxb s GLU 180 CO 0.21 -1.06 1.03 -1.25 -0.54 0.00 0.00 175.26 173.65 1bxb s PRO 181 N 1.06 3.64 -0.18 4.30 0.04 -1.26 -4.13 135.00 138.48 1bxb s PRO 181 Ca 0.09 1.14 -0.16 0.00 0.04 0.00 0.00 61.00 62.11 1bxb s PRO 181 Cb -0.22 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.28 1bxb s PRO 181 CO -0.05 -0.54 0.48 0.21 0.04 0.00 0.00 177.00 177.15 1bxb s LYS 182 N -3.91 0.55 0.08 4.56 2.20 -1.18 -4.72 119.74 117.32 1bxb s LYS 182 Ca 0.62 0.70 -0.13 0.00 -0.36 0.00 0.00 55.97 56.80 1bxb s LYS 182 Cb -0.14 0.24 -0.23 0.00 -1.51 0.00 0.00 37.83 36.19 1bxb s LYS 182 CO 0.31 -0.08 1.18 -1.00 -0.36 0.00 0.00 175.35 175.41 1bxb h PRO 183 N 5.59 0.65 -3.63 4.03 0.13 -1.76 -3.37 132.00 133.63 1bxb h PRO 183 Ca -0.28 -0.74 -0.09 0.00 -0.87 0.00 0.00 66.00 64.01 1bxb h PRO 183 Cb 1.18 0.22 -0.07 0.00 0.13 0.00 0.00 31.00 32.46 1bxb h PRO 183 CO 0.21 1.32 -0.06 0.54 -0.23 0.00 0.00 178.00 179.78 1bxb s ASN 184 N -7.31 0.14 -0.00 1.44 4.22 -1.26 -0.82 114.94 111.34 1bxb s ASN 184 Ca -0.09 -1.06 -0.00 0.00 -2.14 0.00 0.00 52.86 49.56 1bxb s ASN 184 Cb 0.07 0.65 0.00 0.00 1.28 0.00 0.00 41.25 43.25 1bxb s ASN 184 CO 0.92 -1.26 0.01 1.21 -2.04 0.00 0.00 177.10 175.94 1bxb n GLU 185 N -0.45 -0.70 0.05 3.55 2.13 -1.26 -4.80 120.64 119.16 1bxb n GLU 185 Ca -0.02 0.94 0.13 0.00 0.66 0.00 0.00 57.16 58.87 1bxb n GLU 185 Cb 0.61 -1.18 0.30 0.00 0.27 0.00 0.00 31.44 31.44 1bxb n GLU 185 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1bxb n PRO 186 N 0.25 0.19 -2.73 5.31 -0.04 -1.25 -4.99 135.00 131.74 1bxb n PRO 186 Ca -0.01 0.09 -0.34 0.00 -0.04 0.00 0.00 63.50 63.19 1bxb n PRO 186 Cb 0.02 -1.65 -0.06 0.00 -0.04 0.00 0.00 33.50 31.77 1bxb n PRO 186 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1bxb s ARG 187 N -3.10 4.19 0.21 0.54 1.81 -1.26 -4.97 118.95 116.37 1bxb s ARG 187 Ca 0.09 1.24 -0.15 0.00 -1.72 0.00 0.00 55.73 55.20 1bxb s ARG 187 Cb 0.15 -2.30 0.23 0.00 -0.45 0.00 0.00 34.95 32.58 1bxb s ARG 187 CO 0.66 -0.07 1.61 0.78 -0.68 0.00 0.00 175.30 177.60 1bxb h GLY 188 N 2.10 0.34 -5.62 -3.53 0.00 -1.96 -3.40 103.07 91.00 1bxb h GLY 188 Ca -0.49 0.27 -0.28 0.00 0.00 0.00 0.00 47.33 46.83 1bxb h GLY 188 CO 0.61 -0.25 -0.74 0.99 0.00 0.00 0.00 176.54 177.16 1bxb s ASP 189 N -5.22 0.29 -0.13 0.19 1.01 -1.09 -4.60 116.67 107.13 1bxb s ASP 189 Ca -0.14 -0.04 -0.13 0.00 0.71 0.00 0.00 52.55 52.94 1bxb s ASP 189 Cb 0.19 -0.06 -0.05 0.00 1.01 0.00 0.00 42.92 44.02 1bxb s ASP 189 CO 0.73 0.01 0.30 -0.63 0.21 0.00 0.00 175.17 175.79 1bxb s ILE 190 N 0.12 5.28 0.24 0.77 1.01 -0.00 -1.59 121.20 127.02 1bxb s ILE 190 Ca -0.01 0.57 -0.06 0.00 0.00 0.00 0.00 60.65 61.16 1bxb s ILE 190 Cb -0.03 -3.63 0.22 0.00 0.01 0.00 0.00 42.46 39.03 1bxb s ILE 190 CO -0.00 0.44 1.88 1.88 0.00 0.00 0.00 174.94 179.13 1bxb h TYR 191 N 6.22 1.07 -3.06 3.97 0.05 -1.48 -3.29 116.97 120.45 1bxb h TYR 191 Ca -0.44 0.03 -0.78 0.00 0.05 0.00 0.00 58.73 57.59 1bxb h TYR 191 Cb 1.18 -0.35 -0.24 0.00 1.01 0.00 0.00 36.73 38.32 1bxb h TYR 191 CO 0.63 0.60 0.79 1.19 -1.05 0.00 0.00 178.16 180.32 1bxb n PHE 192 N -4.54 5.15 0.11 4.88 3.72 -1.26 -4.86 117.46 120.66 1bxb n PHE 192 Ca 0.12 -3.71 0.07 0.00 -0.05 0.00 0.00 57.45 53.88 1bxb n PHE 192 Cb 0.11 -1.87 0.02 0.00 -0.94 0.00 0.00 39.48 36.79 1bxb n PHE 192 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bxb h ALA 193 N 6.79 0.66 -2.46 4.37 0.00 -1.73 -3.13 119.26 123.77 1bxb h ALA 193 Ca 0.23 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1bxb h ALA 193 Cb 0.87 0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.55 1bxb h ALA 193 CO 1.11 0.34 -0.57 0.95 0.00 0.00 0.00 179.25 181.07 1bxb s THR 194 N -3.15 0.17 0.27 0.00 -4.23 -1.26 -2.86 115.64 104.58 1bxb s THR 194 Ca 0.01 -1.39 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 1bxb s THR 194 Cb 0.08 -1.19 0.26 0.00 1.34 0.00 0.00 72.50 72.99 1bxb s THR 194 CO 0.77 -0.77 1.73 0.58 -0.54 0.00 0.00 174.62 176.39 1bxb h VAL 195 N 3.35 0.62 -0.47 2.29 2.07 -1.92 -1.98 116.25 120.21 1bxb h VAL 195 Ca -0.33 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1bxb h VAL 195 Cb 1.17 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1bxb h VAL 195 CO 0.57 0.09 0.26 1.23 0.02 0.00 0.00 177.57 179.75 1bxb h GLY 196 N 0.52 0.71 1.02 2.17 0.00 -1.96 -0.73 103.07 104.80 1bxb h GLY 196 Ca 0.50 -0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.56 1bxb h GLY 196 CO -0.43 0.31 0.53 0.23 0.00 0.00 0.00 176.54 177.17 1bxb h SER 197 N 0.63 0.82 -0.12 0.19 0.87 -1.77 -0.05 113.55 114.11 1bxb h SER 197 Ca 0.17 -0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.50 1bxb h SER 197 Cb 0.05 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1bxb h SER 197 CO -0.03 0.54 -0.79 0.24 -0.53 0.00 0.00 176.83 176.26 1bxb h MET 198 N 0.94 0.75 -0.62 2.24 0.00 -0.96 -2.71 114.93 114.56 1bxb h MET 198 Ca 0.33 -0.64 0.02 0.00 0.00 0.00 0.00 59.70 59.41 1bxb h MET 198 Cb 0.14 0.15 -0.04 0.00 0.00 0.00 0.00 31.60 31.85 1bxb h MET 198 CO -0.11 1.25 0.40 -0.07 0.00 0.00 0.00 176.91 178.38 1bxb h LEU 199 N 0.46 0.67 -0.82 1.22 3.38 -0.63 -1.73 115.31 117.85 1bxb h LEU 199 Ca -0.07 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1bxb h LEU 199 Cb 1.43 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 1bxb h LEU 199 CO 0.16 0.47 0.34 0.00 0.09 0.00 0.00 178.44 179.50 1bxb h ALA 200 N 1.25 1.06 -0.10 1.53 0.00 -1.04 -3.01 119.26 118.95 1bxb h ALA 200 Ca 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1bxb h ALA 200 Cb -0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1bxb h ALA 200 CO -0.08 0.67 0.06 0.35 0.00 0.00 0.00 179.25 180.25 1bxb h PHE 201 N 1.17 0.14 -0.79 0.00 3.57 -1.27 -3.08 116.94 116.68 1bxb h PHE 201 Ca 0.27 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.90 1bxb h PHE 201 Cb 0.20 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 1bxb h PHE 201 CO 0.02 0.15 0.52 0.82 -2.23 0.00 0.00 178.31 177.59 1bxb h ILE 202 N 0.09 0.84 0.00 1.41 2.04 -1.18 0.64 117.51 121.35 1bxb h ILE 202 Ca 0.04 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1bxb h ILE 202 Cb 0.06 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1bxb h ILE 202 CO -0.01 0.10 0.00 1.41 0.00 0.00 0.00 178.15 179.65 1bxb n HIS 203 N -4.51 0.82 1.23 1.37 8.25 -1.16 -1.93 115.22 119.29 1bxb n HIS 203 Ca 0.15 0.34 0.13 0.00 -0.26 0.00 0.00 57.72 58.08 1bxb n HIS 203 Cb 0.47 -1.05 0.29 0.00 1.12 0.00 0.00 29.99 30.82 1bxb n HIS 203 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1bxb n THR 204 N -2.26 0.00 -2.31 1.59 -2.24 0.22 -4.94 114.28 104.33 1bxb n THR 204 Ca 0.01 -0.36 -0.27 0.00 -2.27 0.00 0.00 64.05 61.16 1bxb n THR 204 Cb 0.19 1.00 0.04 0.00 -2.10 0.00 0.00 70.33 69.46 1bxb n THR 204 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1bxb s LEU 205 N -2.04 3.15 0.11 3.22 1.43 -0.81 -5.01 118.68 118.72 1bxb s LEU 205 Ca 0.32 0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 54.05 1bxb s LEU 205 Cb 0.20 -3.56 -0.15 0.00 0.03 0.00 0.00 46.19 42.72 1bxb s LEU 205 CO 0.34 -1.15 1.30 0.44 0.23 0.00 0.00 176.35 177.51 1bxb h ASP 206 N -0.28 0.90 -2.51 2.29 3.32 -1.92 -3.34 116.42 114.89 1bxb h ASP 206 Ca -0.45 -0.61 -0.61 0.00 0.02 0.00 0.00 57.03 55.38 1bxb h ASP 206 Cb 1.26 -0.27 -0.42 0.00 0.22 0.00 0.00 39.33 40.13 1bxb h ASP 206 CO 0.61 1.41 -0.60 0.54 -1.72 0.00 0.00 179.24 179.48 1bxb n ARG 207 N -3.91 2.23 0.28 3.56 5.12 -1.26 -4.94 116.66 117.73 1bxb n ARG 207 Ca -0.08 -4.57 0.14 0.00 -1.93 0.00 0.00 57.85 51.41 1bxb n ARG 207 Cb 0.77 -2.24 0.84 0.00 -1.16 0.00 0.00 32.46 30.67 1bxb n ARG 207 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1bxb h PRO 208 N 4.61 0.00 0.00 5.56 0.11 -1.80 -2.00 132.00 138.48 1bxb h PRO 208 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1bxb h PRO 208 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1bxb h PRO 208 CO 0.78 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.62 1bxb h GLU 209 N 0.00 0.00 -0.00 1.05 9.09 -1.92 -1.49 114.58 121.31 1bxb h GLU 209 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 1bxb h GLU 209 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 1bxb h GLU 209 CO -0.00 0.00 -0.22 0.54 0.05 0.00 0.00 179.01 179.38 1bxb n ARG 210 N -2.38 0.13 -4.94 1.06 5.12 -0.75 -4.90 116.66 110.00 1bxb n ARG 210 Ca 0.03 -0.05 -0.33 0.00 -1.93 0.00 0.00 57.85 55.58 1bxb n ARG 210 Cb 0.31 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 29.97 1bxb n ARG 210 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1bxb s PHE 211 N -2.90 2.67 0.00 -1.55 0.40 -0.56 -0.17 117.98 115.87 1bxb s PHE 211 Ca 0.16 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.18 1bxb s PHE 211 Cb 0.19 -1.65 0.00 0.00 0.51 0.00 0.00 43.02 42.06 1bxb s PHE 211 CO 0.59 0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.99 1bxb n GLY 212 N 2.57 4.58 3.34 4.36 0.00 0.95 -4.95 105.19 116.03 1bxb n GLY 212 Ca -0.17 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 1bxb n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxb s LEU 213 N 0.00 2.30 -0.62 0.99 1.43 0.21 -1.16 118.68 121.83 1bxb s LEU 213 Ca 0.00 -0.71 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 1bxb s LEU 213 Cb 0.00 -1.08 0.16 0.00 0.03 0.00 0.00 46.19 45.30 1bxb s LEU 213 CO 0.00 0.13 0.42 0.21 0.23 0.00 0.00 176.35 177.34 1bxb s ASN 214 N -1.94 4.19 0.35 2.29 2.47 0.49 -2.09 114.94 120.70 1bxb s ASN 214 Ca 0.11 -3.53 -0.26 0.00 0.42 0.00 0.00 52.86 49.60 1bxb s ASN 214 Cb -0.10 -1.42 -0.09 0.00 -1.45 0.00 0.00 41.25 38.19 1bxb s ASN 214 CO 0.05 -0.13 1.10 -2.84 -3.72 0.00 0.00 177.10 171.56 1bxb s PRO 215 N -0.93 4.33 -0.11 0.43 0.02 -1.26 -4.18 135.00 133.29 1bxb s PRO 215 Ca 0.24 1.71 0.02 0.00 0.02 0.00 0.00 61.00 62.99 1bxb s PRO 215 Cb -0.08 -2.83 -0.01 0.00 0.02 0.00 0.00 34.50 31.60 1bxb s PRO 215 CO -0.13 -0.05 -0.18 -2.00 -0.33 0.00 0.00 177.00 174.31 1bxb s GLU 216 N -2.03 3.21 0.21 5.54 2.12 -1.26 -1.14 118.70 125.35 1bxb s GLU 216 Ca 0.52 -0.77 -0.15 0.00 0.36 0.00 0.00 54.97 54.94 1bxb s GLU 216 Cb -0.28 -2.48 0.22 0.00 0.26 0.00 0.00 34.13 31.85 1bxb s GLU 216 CO 0.36 0.21 1.62 0.35 -0.54 0.00 0.00 175.26 177.26 1bxb h PHE 217 N 6.67 -0.42 -0.41 5.30 3.04 -1.60 -2.00 116.94 127.51 1bxb h PHE 217 Ca -0.23 0.06 -0.07 0.00 3.98 0.00 0.00 57.97 61.70 1bxb h PHE 217 Cb 1.22 0.28 -0.02 0.00 2.56 0.00 0.00 35.95 40.00 1bxb h PHE 217 CO 0.49 -0.29 -0.05 0.00 -2.02 0.00 0.00 178.31 176.44 1bxb h ALA 218 N 1.53 1.15 0.23 2.41 0.00 -1.84 -2.59 119.26 120.15 1bxb h ALA 218 Ca 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1bxb h ALA 218 Cb 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1bxb h ALA 218 CO -0.65 0.54 -0.11 0.45 0.00 0.00 0.00 179.25 179.48 1bxb h HIS 219 N 0.64 -0.29 -0.55 0.00 3.86 -1.70 0.12 115.15 117.23 1bxb h HIS 219 Ca 0.12 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.24 1bxb h HIS 219 Cb 0.47 0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 1bxb h HIS 219 CO 0.02 -0.15 0.01 0.93 0.86 0.00 0.00 177.93 179.60 1bxb h GLU 220 N -0.34 0.92 -0.01 2.45 3.07 -1.53 -2.57 114.58 116.58 1bxb h GLU 220 Ca -0.03 -0.26 -0.09 0.00 -0.50 0.00 0.00 59.36 58.48 1bxb h GLU 220 Cb 0.26 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1bxb h GLU 220 CO 0.05 0.90 -0.41 1.15 -1.40 0.00 0.00 179.01 179.30 1bxb h THR 221 N 0.85 1.30 -0.90 1.13 2.02 -1.31 -1.50 112.91 114.51 1bxb h THR 221 Ca 0.16 -1.42 0.12 0.00 0.77 0.00 0.00 66.41 66.03 1bxb h THR 221 Cb 0.48 1.76 -0.08 0.00 -1.74 0.00 0.00 68.15 68.57 1bxb h THR 221 CO 0.02 0.41 0.52 0.24 0.37 0.00 0.00 175.52 177.09 1bxb h MET 222 N 0.02 0.80 -0.01 6.66 2.86 -0.33 -0.15 114.93 124.78 1bxb h MET 222 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1bxb h MET 222 Cb 0.74 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1bxb h MET 222 CO 0.05 0.53 -0.02 0.00 1.06 0.00 0.00 176.91 178.53 1bxb n ALA 223 N -2.37 2.63 -0.98 6.32 0.00 -0.87 -1.44 120.51 123.80 1bxb n ALA 223 Ca 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1bxb n ALA 223 Cb 0.34 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1bxb n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxb n GLY 224 N 1.18 0.43 3.93 0.00 0.00 -0.07 -4.92 105.19 105.74 1bxb n GLY 224 Ca 0.19 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 1bxb n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxb s LEU 225 N 0.00 3.41 -0.42 0.99 1.43 -0.62 -4.98 118.68 118.50 1bxb s LEU 225 Ca 0.00 0.57 -0.18 0.00 -1.03 0.00 0.00 54.13 53.49 1bxb s LEU 225 Cb 0.00 -3.42 0.02 0.00 0.03 0.00 0.00 46.19 42.82 1bxb s LEU 225 CO 0.00 -0.90 0.47 0.21 0.23 0.00 0.00 176.35 176.36 1bxb s ASN 226 N -4.26 6.22 0.24 2.29 3.84 -1.26 -4.02 114.94 117.99 1bxb s ASN 226 Ca 0.51 -0.55 -0.03 0.00 0.21 0.00 0.00 52.86 53.00 1bxb s ASN 226 Cb -0.10 -2.24 0.26 0.00 -0.55 0.00 0.00 41.25 38.62 1bxb s ASN 226 CO 0.42 -0.60 1.69 0.15 -2.79 0.00 0.00 177.10 175.97 1bxb h PHE 227 N 8.72 0.83 -0.78 0.43 3.57 -1.91 -2.76 116.94 125.03 1bxb h PHE 227 Ca -0.26 -0.16 0.05 0.00 3.53 0.00 0.00 57.97 61.13 1bxb h PHE 227 Cb 1.11 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.59 1bxb h PHE 227 CO 0.65 0.85 0.48 0.28 -2.23 0.00 0.00 178.31 178.34 1bxb h VAL 228 N 0.67 1.05 -0.52 1.41 2.07 -1.92 -1.10 116.25 117.90 1bxb h VAL 228 Ca 0.11 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1bxb h VAL 228 Cb 0.63 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1bxb h VAL 228 CO 0.04 0.16 0.17 0.45 0.02 0.00 0.00 177.57 178.42 1bxb h HIS 229 N 0.90 0.84 -0.55 1.57 3.86 -1.94 -1.17 115.15 118.66 1bxb h HIS 229 Ca 0.33 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.42 1bxb h HIS 229 Cb 0.12 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1bxb h HIS 229 CO -0.04 0.72 0.18 0.00 0.86 0.00 0.00 177.93 179.65 1bxb h ALA 230 N 1.03 0.72 -0.32 2.45 0.00 -1.23 -2.13 119.26 119.78 1bxb h ALA 230 Ca 0.17 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1bxb h ALA 230 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1bxb h ALA 230 CO -0.01 0.37 -0.26 0.28 0.00 0.00 0.00 179.25 179.64 1bxb h VAL 231 N 0.76 1.27 -0.14 0.00 2.07 -1.16 -1.50 116.25 117.55 1bxb h VAL 231 Ca 0.18 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 1bxb h VAL 231 Cb 0.27 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1bxb h VAL 231 CO -0.01 0.44 -0.14 0.00 0.02 0.00 0.00 177.57 177.89 1bxb h ALA 232 N 1.15 1.51 -0.10 1.67 0.00 -1.10 0.14 119.26 122.54 1bxb h ALA 232 Ca 0.08 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 1bxb h ALA 232 Cb 0.73 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1bxb h ALA 232 CO 0.06 0.35 -0.81 0.37 0.00 0.00 0.00 179.25 179.21 1bxb h GLN 233 N 0.22 0.63 -0.22 0.00 4.15 -0.84 -0.38 115.11 118.66 1bxb h GLN 233 Ca 0.04 -0.54 0.01 0.00 0.77 0.00 0.00 58.65 58.93 1bxb h GLN 233 Cb 0.38 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 1bxb h GLN 233 CO 0.02 1.16 0.14 0.00 -1.93 0.00 0.00 178.83 178.22 1bxb h ALA 234 N 0.67 0.28 -0.40 3.38 0.00 -0.77 -2.04 119.26 120.37 1bxb h ALA 234 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1bxb h ALA 234 Cb 1.43 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1bxb h ALA 234 CO 0.16 -0.26 0.20 -0.07 0.00 0.00 0.00 179.25 179.27 1bxb h LEU 235 N 0.28 0.53 -1.34 0.00 3.38 -0.67 -1.01 115.31 116.47 1bxb h LEU 235 Ca 0.08 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.06 1bxb h LEU 235 Cb -0.02 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 1bxb h LEU 235 CO -0.03 0.50 0.55 -0.78 0.09 0.00 0.00 178.44 178.77 1bxb h ASP 236 N 0.51 0.62 0.34 -0.43 3.58 -0.89 -0.48 116.42 119.67 1bxb h ASP 236 Ca 0.14 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1bxb h ASP 236 Cb 0.11 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1bxb h ASP 236 CO -0.02 0.33 -0.09 0.00 -2.88 0.00 0.00 179.24 176.58 1bxb n ALA 237 N -2.45 2.72 -2.02 -0.78 0.00 -0.78 -4.92 120.51 112.28 1bxb n ALA 237 Ca 0.16 -0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 1bxb n ALA 237 Cb 0.44 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 1bxb n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxb n GLY 238 N 1.25 0.18 0.03 0.00 0.00 -0.19 -4.95 105.19 101.52 1bxb n GLY 238 Ca 0.15 -0.49 0.05 0.00 0.00 0.00 0.00 46.02 45.73 1bxb n GLY 238 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bxb n LYS 239 N -2.09 2.22 -2.63 1.61 4.76 -0.44 -4.91 118.16 116.67 1bxb n LYS 239 Ca -0.11 -1.99 -0.42 0.00 -2.87 0.00 0.00 58.31 52.92 1bxb n LYS 239 Cb 0.54 -1.23 -0.03 0.00 -1.84 0.00 0.00 35.03 32.47 1bxb n LYS 239 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1bxb s LEU 240 N -1.86 3.65 0.09 -0.35 2.96 -1.24 0.67 118.68 122.60 1bxb s LEU 240 Ca 0.15 -1.12 0.20 0.00 -0.22 0.00 0.00 54.13 53.13 1bxb s LEU 240 Cb 0.13 -2.53 -0.13 0.00 0.50 0.00 0.00 46.19 44.16 1bxb s LEU 240 CO 0.01 -1.57 0.80 0.49 -1.32 0.00 0.00 176.35 174.77 1bxb n PHE 241 N 8.68 0.73 -3.47 5.38 3.01 -0.89 -4.89 117.46 126.01 1bxb n PHE 241 Ca 0.18 0.23 -0.11 0.00 1.01 0.00 0.00 57.45 58.76 1bxb n PHE 241 Cb 0.50 -0.92 -0.02 0.00 -0.01 0.00 0.00 39.48 39.02 1bxb n PHE 241 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1bxb s HIS 242 N -3.19 -0.45 -0.12 1.38 2.46 -1.06 -4.70 115.29 109.61 1bxb s HIS 242 Ca -0.03 0.32 -0.09 0.00 0.47 0.00 0.00 55.06 55.73 1bxb s HIS 242 Cb 0.10 0.54 0.04 0.00 -0.13 0.00 0.00 32.58 33.13 1bxb s HIS 242 CO 0.82 -0.69 0.31 -1.50 -2.47 0.00 0.00 174.74 171.21 1bxb s ILE 243 N -3.28 -0.02 -0.25 0.89 2.07 -1.25 -4.00 121.20 115.36 1bxb s ILE 243 Ca 0.02 0.06 -0.11 0.00 -1.41 0.00 0.00 60.65 59.22 1bxb s ILE 243 Cb -0.01 -0.45 -0.05 0.00 0.13 0.00 0.00 42.46 42.08 1bxb s ILE 243 CO -0.10 0.03 0.17 -1.81 -1.91 0.00 0.00 174.94 171.32 1bxb s ASP 244 N 0.75 6.07 -0.16 4.50 1.01 -0.29 -2.14 116.67 126.41 1bxb s ASP 244 Ca -0.05 0.06 -0.02 0.00 0.71 0.00 0.00 52.55 53.26 1bxb s ASP 244 Cb -0.06 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 1bxb s ASP 244 CO -0.05 0.02 -0.09 -0.76 0.21 0.00 0.00 175.17 174.50 1bxb s LEU 245 N 1.31 2.86 0.00 1.23 1.43 0.22 -1.57 118.68 124.16 1bxb s LEU 245 Ca 0.07 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1bxb s LEU 245 Cb -0.14 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1bxb s LEU 245 CO 0.07 0.12 0.00 -0.46 0.23 0.00 0.00 176.35 176.31 1bxb n ASN 246 N 3.82 0.00 -3.88 2.29 2.04 -1.26 -2.97 115.26 115.30 1bxb n ASN 246 Ca -0.18 -0.54 -0.17 0.00 -0.44 0.00 0.00 54.58 53.24 1bxb n ASN 246 Cb 0.52 0.00 -0.09 0.00 -2.53 0.00 0.00 39.78 37.68 1bxb n ASN 246 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1bxb s ASP 247 N 0.37 1.26 -0.29 0.53 -1.08 -0.42 -4.43 116.67 112.60 1bxb s ASP 247 Ca 0.00 -1.57 -0.20 0.00 -0.52 0.00 0.00 52.55 50.26 1bxb s ASP 247 Cb 0.00 0.43 0.17 0.00 -1.46 0.00 0.00 42.92 42.06 1bxb s ASP 247 CO 0.00 -0.92 1.19 -1.58 0.52 0.00 0.00 175.17 174.38 1bxb s GLN 248 N -3.80 0.24 -0.01 4.34 2.00 -1.26 -1.58 119.66 119.58 1bxb s GLN 248 Ca 0.38 0.34 -0.18 0.00 -2.00 0.00 0.00 55.36 53.90 1bxb s GLN 248 Cb 0.05 0.08 -0.05 0.00 0.80 0.00 0.00 33.01 33.89 1bxb s GLN 248 CO 0.19 -0.04 0.50 1.03 -0.50 0.00 0.00 175.29 176.47 1bxb s ARG 249 N 0.67 4.17 0.75 1.67 0.52 -1.26 -4.82 118.95 120.65 1bxb s ARG 249 Ca -0.02 0.56 -0.15 0.00 -0.52 0.00 0.00 55.73 55.61 1bxb s ARG 249 Cb -0.04 -3.30 0.05 0.00 0.52 0.00 0.00 34.95 32.18 1bxb s ARG 249 CO -0.12 0.48 1.24 -1.64 0.02 0.00 0.00 175.30 175.28 1bxb s MET 250 N -0.49 1.93 -1.01 3.54 -1.94 -1.26 -4.20 119.30 115.88 1bxb s MET 250 Ca 0.27 1.88 -0.06 0.00 -1.71 0.00 0.00 55.69 56.06 1bxb s MET 250 Cb -0.17 -1.79 0.01 0.00 2.01 0.00 0.00 34.83 34.88 1bxb s MET 250 CO 0.15 -2.02 0.88 0.43 -0.01 0.00 0.00 175.02 174.44 1bxb n SER 251 N -2.83 -5.07 -2.25 3.03 7.64 -0.52 -4.98 113.62 108.65 1bxb n SER 251 Ca 0.14 -0.41 -0.07 0.00 1.01 0.00 0.00 58.87 59.54 1bxb n SER 251 Cb 0.50 -3.90 0.01 0.00 -1.01 0.00 0.00 64.21 59.81 1bxb n SER 251 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1bxb n ARG 252 N -3.84 0.68 -1.49 1.43 0.00 -1.26 -5.08 116.66 107.10 1bxb n ARG 252 Ca -0.01 -1.63 -0.39 0.00 -0.00 0.00 0.00 57.85 55.82 1bxb n ARG 252 Cb 0.55 1.87 0.03 0.00 -0.00 0.00 0.00 32.46 34.91 1bxb n ARG 252 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 1bxb n PHE 253 N -0.37 -0.41 -1.77 2.89 -1.74 -1.26 -4.83 117.46 109.96 1bxb n PHE 253 Ca -0.04 0.47 -0.42 0.00 -0.56 0.00 0.00 57.45 56.90 1bxb n PHE 253 Cb 0.40 -1.99 -0.03 0.00 1.52 0.00 0.00 39.48 39.38 1bxb n PHE 253 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1bxb s ASP 254 N -1.12 6.33 0.04 5.98 -1.08 -1.26 -4.88 116.67 120.68 1bxb s ASP 254 Ca 0.68 2.37 0.19 0.00 -0.52 0.00 0.00 52.55 55.28 1bxb s ASP 254 Cb -0.47 -2.53 -0.16 0.00 -1.46 0.00 0.00 42.92 38.30 1bxb s ASP 254 CO 0.54 -1.19 0.71 0.00 0.52 0.00 0.00 175.17 175.76 1bxb n GLN 255 N 7.67 0.63 -3.97 4.34 6.02 -1.26 -5.00 117.38 125.80 1bxb n GLN 255 Ca 0.21 0.09 -0.28 0.00 -0.01 0.00 0.00 57.00 57.01 1bxb n GLN 255 Cb 0.42 -1.72 -0.02 0.00 1.02 0.00 0.00 30.24 29.94 1bxb n GLN 255 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1bxb n ASP 256 N -2.71 -1.02 -4.83 1.08 8.00 -1.25 -4.82 116.55 111.00 1bxb n ASP 256 Ca -0.09 -1.06 -0.32 0.00 0.71 0.00 0.00 54.79 54.03 1bxb n ASP 256 Cb 0.76 -2.81 0.01 0.00 -0.02 0.00 0.00 41.12 39.07 1bxb n ASP 256 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bxb s LEU 257 N -6.99 3.34 0.21 0.64 1.43 -0.61 -2.21 118.68 114.49 1bxb s LEU 257 Ca 0.09 1.60 -0.30 0.00 -1.03 0.00 0.00 54.13 54.49 1bxb s LEU 257 Cb -0.04 -4.50 -0.16 0.00 0.03 0.00 0.00 46.19 41.53 1bxb s LEU 257 CO 0.91 -1.06 0.96 -1.14 0.23 0.00 0.00 176.35 176.25 1bxb n ARG 258 N -2.47 0.93 -1.69 1.70 0.63 -1.26 -1.31 116.66 113.19 1bxb n ARG 258 Ca 0.07 0.33 -0.44 0.00 -0.92 0.00 0.00 57.85 56.89 1bxb n ARG 258 Cb 0.54 -1.67 -0.03 0.00 0.45 0.00 0.00 32.46 31.75 1bxb n ARG 258 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1bxb n PHE 259 N 0.69 2.42 -0.96 -0.14 7.35 -1.26 -2.66 117.46 122.90 1bxb n PHE 259 Ca 0.14 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 1bxb n PHE 259 Cb 0.27 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.55 1bxb n PHE 259 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1bxb n GLY 260 N 2.76 0.76 0.08 7.13 0.00 -1.26 -4.75 105.19 109.91 1bxb n GLY 260 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 1bxb n GLY 260 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bxb h SER 261 N 0.00 0.00 0.00 1.61 4.64 -1.88 -3.38 113.55 114.54 1bxb h SER 261 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1bxb h SER 261 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1bxb h SER 261 CO 0.00 0.87 -1.86 -0.62 -0.87 0.00 0.00 176.83 174.35 1bxb n GLU 262 N -3.20 0.33 -3.21 4.77 -0.58 -1.26 -4.89 120.64 112.59 1bxb n GLU 262 Ca -0.05 0.14 -0.35 0.00 -0.42 0.00 0.00 57.16 56.48 1bxb n GLU 262 Cb 0.92 -1.06 -0.04 0.00 -0.57 0.00 0.00 31.44 30.69 1bxb n GLU 262 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1bxb n ASN 263 N -3.63 5.08 0.03 1.62 3.02 -1.26 -4.92 115.26 115.20 1bxb n ASN 263 Ca -0.30 -3.44 -0.11 0.00 -0.03 0.00 0.00 54.58 50.70 1bxb n ASN 263 Cb 0.72 -0.95 -0.04 0.00 -0.61 0.00 0.00 39.78 38.90 1bxb n ASN 263 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1bxb h LEU 264 N 4.73 -0.83 -0.76 3.41 3.38 -1.91 -1.24 115.31 122.09 1bxb h LEU 264 Ca 0.20 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.33 1bxb h LEU 264 Cb 0.63 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 1bxb h LEU 264 CO 1.08 -0.33 0.47 0.50 0.09 0.00 0.00 178.44 180.25 1bxb h LYS 265 N -0.38 0.88 -0.46 1.13 3.64 -1.94 0.11 116.57 119.56 1bxb h LYS 265 Ca 0.08 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 1bxb h LYS 265 Cb 0.50 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1bxb h LYS 265 CO -0.28 0.58 -0.19 0.00 -2.27 0.00 0.00 179.45 177.29 1bxb h ALA 266 N 1.33 0.64 -0.45 5.00 0.00 -1.93 -2.05 119.26 121.80 1bxb h ALA 266 Ca 0.31 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1bxb h ALA 266 Cb 0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1bxb h ALA 266 CO -0.13 0.60 0.19 0.00 0.00 0.00 0.00 179.25 179.92 1bxb h ALA 267 N 0.85 0.56 -0.44 0.00 0.00 -1.07 -0.95 119.26 118.21 1bxb h ALA 267 Ca 0.11 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.15 1bxb h ALA 267 Cb 0.76 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 1bxb h ALA 267 CO 0.06 -0.18 -0.15 0.35 0.00 0.00 0.00 179.25 179.33 1bxb h PHE 268 N 0.39 -0.35 0.00 0.00 3.57 -0.47 -1.10 116.94 118.97 1bxb h PHE 268 Ca 0.21 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1bxb h PHE 268 Cb 0.17 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1bxb h PHE 268 CO -0.13 -0.24 -0.05 0.74 -2.23 0.00 0.00 178.31 176.41 1bxb h PHE 269 N -0.05 0.00 -0.08 0.41 0.04 -1.13 -1.71 116.94 114.42 1bxb h PHE 269 Ca 0.22 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.93 1bxb h PHE 269 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1bxb h PHE 269 CO -0.42 0.00 -0.18 1.25 -0.60 0.00 0.00 178.31 178.36 1bxb h LEU 270 N 0.00 0.29 -0.46 1.54 5.85 -0.84 -1.00 115.31 120.68 1bxb h LEU 270 Ca 0.00 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 1bxb h LEU 270 Cb 0.94 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1bxb h LEU 270 CO 0.00 0.82 0.20 0.58 -0.34 0.00 0.00 178.44 179.70 1bxb h VAL 271 N -0.23 1.20 -0.77 1.05 2.07 -1.10 -0.74 116.25 117.73 1bxb h VAL 271 Ca -0.00 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 67.01 1bxb h VAL 271 Cb 0.78 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1bxb h VAL 271 CO 0.04 0.23 0.41 -0.78 0.02 0.00 0.00 177.57 177.49 1bxb h ASP 272 N 0.61 0.57 -0.41 0.57 3.58 -1.32 -0.63 116.42 119.38 1bxb h ASP 272 Ca 0.16 0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.59 1bxb h ASP 272 Cb 0.17 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1bxb h ASP 272 CO -0.02 0.32 -0.01 0.25 -2.88 0.00 0.00 179.24 176.91 1bxb h LEU 273 N 0.70 0.72 -0.27 2.28 5.85 -0.60 -0.98 115.31 123.00 1bxb h LEU 273 Ca 0.37 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1bxb h LEU 273 Cb 0.37 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1bxb h LEU 273 CO -0.26 0.86 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.60 1bxb h LEU 274 N 0.56 0.48 -0.60 2.25 3.38 -0.81 -2.34 115.31 118.23 1bxb h LEU 274 Ca 0.12 -0.33 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 1bxb h LEU 274 Cb 0.49 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1bxb h LEU 274 CO 0.02 0.70 -0.30 -0.33 0.09 0.00 0.00 178.44 178.62 1bxb h GLU 275 N 0.26 0.79 -0.01 1.13 4.39 -1.03 -2.86 114.58 117.25 1bxb h GLU 275 Ca 0.07 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1bxb h GLU 275 Cb 0.46 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1bxb h GLU 275 CO 0.02 0.98 -0.21 -1.13 -1.16 0.00 0.00 179.01 177.51 1bxb n SER 276 N -4.08 1.01 0.01 1.42 3.41 -0.38 -3.37 113.62 111.63 1bxb n SER 276 Ca -0.01 -0.92 0.11 0.00 -0.26 0.00 0.00 58.87 57.80 1bxb n SER 276 Cb 0.48 0.10 0.14 0.00 -0.26 0.00 0.00 64.21 64.66 1bxb n SER 276 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bxb n SER 277 N -0.60 0.63 -0.90 4.04 7.64 -0.88 -4.96 113.62 118.58 1bxb n SER 277 Ca 0.13 -0.35 -0.08 0.00 1.01 0.00 0.00 58.87 59.58 1bxb n SER 277 Cb 0.34 0.48 -0.00 0.00 -1.01 0.00 0.00 64.21 64.02 1bxb n SER 277 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bxb n GLY 278 N 1.46 0.09 3.71 0.23 0.00 -1.18 -4.98 105.19 104.53 1bxb n GLY 278 Ca 0.04 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1bxb n GLY 278 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bxb s TYR 279 N -2.43 2.97 -0.86 1.61 5.04 -1.12 -4.91 117.35 117.66 1bxb s TYR 279 Ca 0.02 0.56 0.07 0.00 -2.44 0.00 0.00 57.07 55.28 1bxb s TYR 279 Cb -0.01 -3.95 0.04 0.00 0.35 0.00 0.00 41.96 38.39 1bxb s TYR 279 CO 0.02 -3.57 0.68 1.04 -1.34 0.00 0.00 175.55 172.38 1bxb n GLN 280 N 4.17 0.57 -1.20 4.97 1.13 -1.26 -4.92 117.38 120.84 1bxb n GLN 280 Ca 0.14 -0.84 -0.18 0.00 -1.94 0.00 0.00 57.00 54.18 1bxb n GLN 280 Cb 0.38 -1.11 0.13 0.00 0.11 0.00 0.00 30.24 29.76 1bxb n GLN 280 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bxb n GLY 281 N 0.50 -1.37 3.76 1.08 0.00 -1.26 -5.03 105.19 102.88 1bxb n GLY 281 Ca 0.04 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.00 1bxb n GLY 281 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bxb s PRO 282 N -4.83 3.17 -0.62 1.61 0.02 -1.26 -4.91 135.00 128.17 1bxb s PRO 282 Ca 0.47 1.87 -0.12 0.00 0.02 0.00 0.00 61.00 63.25 1bxb s PRO 282 Cb -0.01 -2.08 0.16 0.00 0.02 0.00 0.00 34.50 32.59 1bxb s PRO 282 CO 0.33 -1.06 0.54 1.03 -0.33 0.00 0.00 177.00 177.51 1bxb s ARG 283 N -3.14 2.99 -0.14 5.54 3.00 0.33 -3.91 118.95 123.62 1bxb s ARG 283 Ca 0.74 -2.07 -0.19 0.00 0.00 0.00 0.00 55.73 54.21 1bxb s ARG 283 Cb -0.31 -4.17 -0.04 0.00 0.00 0.00 0.00 34.95 30.43 1bxb s ARG 283 CO 0.35 -1.26 0.51 -1.58 0.00 0.00 0.00 175.30 173.32 1bxb s HIS 284 N 0.86 3.47 -1.08 -0.53 2.46 -0.91 -1.58 115.29 117.97 1bxb s HIS 284 Ca 0.10 0.87 -0.14 0.00 0.47 0.00 0.00 55.06 56.37 1bxb s HIS 284 Cb -0.21 -2.61 0.20 0.00 -0.13 0.00 0.00 32.58 29.82 1bxb s HIS 284 CO -0.03 0.06 1.21 -0.06 -2.47 0.00 0.00 174.74 173.46 1bxb s PHE 285 N 1.01 3.65 -1.35 3.88 0.08 -0.92 0.71 117.98 125.04 1bxb s PHE 285 Ca 0.26 -2.11 -0.17 0.00 0.12 0.00 0.00 56.93 55.03 1bxb s PHE 285 Cb -0.15 -4.13 0.06 0.00 -0.57 0.00 0.00 43.02 38.23 1bxb s PHE 285 CO 0.10 -1.25 1.90 -3.47 -0.10 0.00 0.00 175.22 172.40 1bxb n ASP 286 N 4.89 4.58 -3.70 1.36 -0.08 -1.16 -4.59 116.55 117.86 1bxb n ASP 286 Ca 0.28 -2.89 -0.11 0.00 -1.51 0.00 0.00 54.79 50.56 1bxb n ASP 286 Cb 0.44 -1.72 -0.05 0.00 2.34 0.00 0.00 41.12 42.13 1bxb n ASP 286 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bxb s ALA 287 N 3.95 0.21 0.12 -1.67 0.00 -1.26 -4.73 121.76 118.38 1bxb s ALA 287 Ca 0.52 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 1bxb s ALA 287 Cb 0.07 1.11 -0.01 0.00 0.00 0.00 0.00 23.12 24.29 1bxb s ALA 287 CO 0.03 -0.82 0.19 -3.38 0.00 0.00 0.00 175.76 171.78 1bxb s HIS 288 N -3.60 0.36 0.77 0.00 -3.43 -0.94 -4.39 115.29 104.06 1bxb s HIS 288 Ca 0.26 -0.77 -0.13 0.00 -0.80 0.00 0.00 55.06 53.62 1bxb s HIS 288 Cb -0.00 -0.14 0.06 0.00 -1.43 0.00 0.00 32.58 31.07 1bxb s HIS 288 CO 0.13 -0.59 1.16 0.00 -2.00 0.00 0.00 174.74 173.44 1bxb s ALA 289 N -3.93 2.03 0.53 -1.38 0.00 -1.26 -4.50 121.76 113.26 1bxb s ALA 289 Ca 0.12 0.65 -0.22 0.00 0.00 0.00 0.00 51.96 52.50 1bxb s ALA 289 Cb 0.05 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1bxb s ALA 289 CO -0.05 -1.99 1.36 -0.51 0.00 0.00 0.00 175.76 174.57 1bxb s LEU 290 N -5.61 3.89 0.00 0.00 1.43 -1.26 -4.88 118.68 112.25 1bxb s LEU 290 Ca 0.69 2.77 0.04 0.00 -1.03 0.00 0.00 54.13 56.60 1bxb s LEU 290 Cb -0.24 -4.22 0.19 0.00 0.03 0.00 0.00 46.19 41.95 1bxb s LEU 290 CO 0.50 -1.49 1.06 -1.14 0.23 0.00 0.00 176.35 175.51 1bxb n ARG 291 N -0.89 0.03 -0.04 1.70 0.63 -1.26 -1.77 116.66 115.06 1bxb n ARG 291 Ca 0.09 0.35 0.12 0.00 -0.92 0.00 0.00 57.85 57.49 1bxb n ARG 291 Cb 0.45 -1.50 0.51 0.00 0.45 0.00 0.00 32.46 32.36 1bxb n ARG 291 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1bxb n THR 292 N -1.41 0.10 -4.22 5.15 -2.24 -1.26 -4.92 114.28 105.48 1bxb n THR 292 Ca 0.01 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 1bxb n THR 292 Cb 0.04 0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.36 1bxb n THR 292 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1bxb s GLU 293 N -1.90 3.03 0.00 -0.78 0.41 -0.73 -5.10 118.70 113.63 1bxb s GLU 293 Ca 0.34 -0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.48 1bxb s GLU 293 Cb 0.18 -2.84 0.00 0.00 -1.78 0.00 0.00 34.13 29.68 1bxb s GLU 293 CO 0.28 0.68 0.00 -0.40 -0.49 0.00 0.00 175.26 175.34 1bxb n ASP 294 N 1.72 0.00 0.18 -0.19 5.68 -1.26 -4.87 116.55 117.82 1bxb n ASP 294 Ca -0.16 -0.95 0.03 0.00 -0.50 0.00 0.00 54.79 53.20 1bxb n ASP 294 Cb 0.53 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.87 1bxb n ASP 294 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1bxb h GLU 295 N 0.00 0.00 -0.49 0.11 4.81 -2.00 -1.12 114.58 115.89 1bxb h GLU 295 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1bxb h GLU 295 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1bxb h GLU 295 CO 0.00 0.39 0.05 0.93 -0.73 0.00 0.00 179.01 179.66 1bxb h GLU 296 N 0.00 0.78 -0.06 1.92 3.07 -2.00 -2.21 114.58 116.08 1bxb h GLU 296 Ca -0.00 -0.18 -0.07 0.00 -0.50 0.00 0.00 59.36 58.61 1bxb h GLU 296 Cb 0.73 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1bxb h GLU 296 CO 0.05 0.76 -0.27 0.78 -1.40 0.00 0.00 179.01 178.92 1bxb h GLY 297 N 0.96 0.11 0.99 -3.84 0.00 -1.57 -2.07 103.07 97.65 1bxb h GLY 297 Ca 0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 1bxb h GLY 297 CO 0.01 0.07 0.32 -2.08 0.00 0.00 0.00 176.54 174.86 1bxb h VAL 298 N 0.09 1.17 0.00 4.60 2.07 -0.97 -0.10 116.25 123.11 1bxb h VAL 298 Ca 0.01 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1bxb h VAL 298 Cb 0.53 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1bxb h VAL 298 CO 0.04 0.17 -0.17 -0.50 0.02 0.00 0.00 177.57 177.13 1bxb h TRP 299 N 0.72 0.00 -0.27 1.57 4.06 -1.30 -1.16 115.95 119.57 1bxb h TRP 299 Ca 0.19 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 61.10 1bxb h TRP 299 Cb -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1bxb h TRP 299 CO -0.02 0.17 -0.02 0.00 -3.56 0.00 0.00 178.44 175.01 1bxb h ALA 300 N 1.83 0.36 -0.22 1.49 0.00 -1.08 -0.89 119.26 120.75 1bxb h ALA 300 Ca -0.00 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.73 1bxb h ALA 300 Cb 1.06 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1bxb h ALA 300 CO 0.02 0.12 -0.16 0.35 0.00 0.00 0.00 179.25 179.58 1bxb h PHE 301 N 0.26 -0.40 -0.37 0.00 3.57 -0.69 -0.15 116.94 119.15 1bxb h PHE 301 Ca 0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1bxb h PHE 301 Cb 0.45 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1bxb h PHE 301 CO 0.04 -0.23 0.18 0.00 -2.23 0.00 0.00 178.31 176.07 1bxb h ALA 302 N 0.97 0.48 -0.74 2.41 0.00 -1.08 -2.23 119.26 119.07 1bxb h ALA 302 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1bxb h ALA 302 Cb 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1bxb h ALA 302 CO -0.31 0.03 0.37 0.00 0.00 0.00 0.00 179.25 179.33 1bxb h ARG 303 N 0.46 1.06 -0.63 0.00 3.08 -1.05 -3.05 114.38 114.25 1bxb h ARG 303 Ca 0.13 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1bxb h ARG 303 Cb 0.10 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 1bxb h ARG 303 CO -0.02 0.82 0.28 0.78 -1.07 0.00 0.00 179.97 180.76 1bxb h GLY 304 N 1.03 0.97 0.74 0.04 0.00 -0.68 -1.50 103.07 103.67 1bxb h GLY 304 Ca 0.25 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.12 1bxb h GLY 304 CO -0.03 0.45 -0.16 0.00 0.00 0.00 0.00 176.54 176.80 1bxb h MET 306 N -0.32 0.76 -0.37 0.00 2.86 -1.54 -2.50 114.93 113.82 1bxb h MET 306 Ca 0.02 -0.45 -0.07 0.00 -2.06 0.00 0.00 59.70 57.14 1bxb h MET 306 Cb 0.33 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1bxb h MET 306 CO -0.08 1.08 -0.04 -0.09 1.06 0.00 0.00 176.91 178.84 1bxb h ARG 307 N 0.60 0.68 -0.68 1.72 2.43 -1.21 -1.95 114.38 115.96 1bxb h ARG 307 Ca 0.03 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 1bxb h ARG 307 Cb 1.07 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 1bxb h ARG 307 CO 0.11 0.80 0.35 1.15 -1.51 0.00 0.00 179.97 180.87 1bxb h THR 308 N 0.49 1.22 -0.96 0.20 2.02 -1.13 -0.73 112.91 114.01 1bxb h THR 308 Ca 0.10 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.71 1bxb h THR 308 Cb 0.52 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 1bxb h THR 308 CO 0.03 0.25 0.63 0.22 0.37 0.00 0.00 175.52 177.02 1bxb h TYR 309 N 0.93 1.19 -0.01 3.16 5.03 -1.21 -1.78 116.97 124.27 1bxb h TYR 309 Ca 0.23 0.03 -0.19 0.00 2.58 0.00 0.00 58.73 61.38 1bxb h TYR 309 Cb 0.08 -0.40 -0.01 0.00 1.55 0.00 0.00 36.73 37.95 1bxb h TYR 309 CO -0.00 0.72 -0.84 -0.07 -1.32 0.00 0.00 178.16 176.65 1bxb h LEU 310 N 1.26 0.32 -0.51 2.82 3.38 -0.89 -0.57 115.31 121.12 1bxb h LEU 310 Ca 0.37 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1bxb h LEU 310 Cb -0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1bxb h LEU 310 CO -0.10 1.02 0.16 0.40 0.09 0.00 0.00 178.44 180.01 1bxb h ILE 311 N 0.15 1.23 -0.18 1.22 2.04 -0.87 -2.45 117.51 118.65 1bxb h ILE 311 Ca -0.04 -0.78 -0.14 0.00 1.00 0.00 0.00 64.86 64.90 1bxb h ILE 311 Cb 1.45 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1bxb h ILE 311 CO 0.13 0.29 -0.47 -0.07 0.00 0.00 0.00 178.15 178.03 1bxb h LEU 312 N 0.69 0.51 -0.23 1.44 3.38 -1.17 -1.40 115.31 118.53 1bxb h LEU 312 Ca 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1bxb h LEU 312 Cb 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1bxb h LEU 312 CO -0.00 0.91 0.12 0.50 0.09 0.00 0.00 178.44 180.05 1bxb h LYS 313 N 0.38 0.32 -0.53 1.13 3.64 -1.04 -0.79 116.57 119.69 1bxb h LYS 313 Ca 0.02 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1bxb h LYS 313 Cb 0.97 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 1bxb h LYS 313 CO 0.09 0.32 0.24 1.49 -2.27 0.00 0.00 179.45 179.31 1bxb h GLU 314 N 0.25 0.77 -0.66 1.90 4.81 -1.22 -2.53 114.58 117.90 1bxb h GLU 314 Ca 0.08 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1bxb h GLU 314 Cb 0.09 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1bxb h GLU 314 CO -0.01 0.65 0.16 -0.09 -0.73 0.00 0.00 179.01 178.99 1bxb h ARG 315 N 0.71 1.04 -0.49 1.92 9.65 -1.13 -2.26 114.38 123.83 1bxb h ARG 315 Ca 0.18 -0.24 -0.06 0.00 -1.10 0.00 0.00 59.98 58.76 1bxb h ARG 315 Cb 0.15 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1bxb h ARG 315 CO -0.02 0.92 0.06 0.00 2.80 0.00 0.00 179.97 183.73 1bxb h ALA 316 N 1.17 1.18 -0.30 2.80 0.00 -0.98 -0.07 119.26 123.05 1bxb h ALA 316 Ca 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1bxb h ALA 316 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1bxb h ALA 316 CO 0.00 0.55 0.13 0.93 0.00 0.00 0.00 179.25 180.85 1bxb h GLU 317 N 0.75 0.45 -0.48 0.00 5.08 -1.00 -2.16 114.58 117.21 1bxb h GLU 317 Ca 0.16 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1bxb h GLU 317 Cb 0.37 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1bxb h GLU 317 CO 0.01 0.46 0.03 0.00 -1.00 0.00 0.00 179.01 178.50 1bxb h ALA 318 N 0.97 1.15 -0.43 3.43 0.00 -1.01 -2.75 119.26 120.62 1bxb h ALA 318 Ca 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1bxb h ALA 318 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1bxb h ALA 318 CO -0.01 0.55 0.16 0.35 0.00 0.00 0.00 179.25 180.31 1bxb h PHE 319 N 0.73 0.66 0.00 0.00 3.57 -0.84 -2.93 116.94 118.13 1bxb h PHE 319 Ca 0.15 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1bxb h PHE 319 Cb 0.41 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1bxb h PHE 319 CO 0.02 0.58 -0.01 0.00 -2.23 0.00 0.00 178.31 176.67 1bxb h ARG 320 N 0.54 0.00 -0.32 1.11 2.47 -1.10 -2.37 114.38 114.72 1bxb h ARG 320 Ca 0.14 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1bxb h ARG 320 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 1bxb h ARG 320 CO -0.01 0.01 0.00 0.39 0.56 0.00 0.00 179.97 180.92 1bxb n GLU 321 N -3.11 2.26 -2.09 0.04 -0.58 -1.12 -4.71 120.64 111.34 1bxb n GLU 321 Ca -0.00 -2.08 -0.42 0.00 -0.42 0.00 0.00 57.16 54.24 1bxb n GLU 321 Cb 0.27 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 29.67 1bxb n GLU 321 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1bxb s ASP 322 N -1.34 6.74 0.34 1.62 -1.08 -0.89 -4.91 116.67 117.15 1bxb s ASP 322 Ca 0.32 2.47 0.07 0.00 -0.52 0.00 0.00 52.55 54.89 1bxb s ASP 322 Cb 0.19 -2.60 0.62 0.00 -1.46 0.00 0.00 42.92 39.68 1bxb s ASP 322 CO 0.27 -0.69 1.84 1.55 0.52 0.00 0.00 175.17 178.65 1bxb h PRO 323 N 6.31 0.35 -0.08 4.34 0.13 -1.92 -1.58 132.00 139.56 1bxb h PRO 323 Ca -0.43 -0.10 -0.19 0.00 -0.87 0.00 0.00 66.00 64.41 1bxb h PRO 323 Cb 1.21 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bxb h PRO 323 CO 0.85 0.51 -0.75 1.49 -0.23 0.00 0.00 178.00 179.87 1bxb h GLU 324 N 0.32 0.45 -0.42 0.86 4.81 -1.97 -1.83 114.58 116.81 1bxb h GLU 324 Ca 0.06 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 1bxb h GLU 324 Cb 0.48 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1bxb h GLU 324 CO 0.03 1.01 0.20 0.28 -0.73 0.00 0.00 179.01 179.80 1bxb h VAL 325 N 0.30 1.18 -0.65 0.32 2.07 -1.83 -0.26 116.25 117.39 1bxb h VAL 325 Ca -0.04 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1bxb h VAL 325 Cb 1.34 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1bxb h VAL 325 CO 0.13 0.20 0.23 0.11 0.02 0.00 0.00 177.57 178.26 1bxb h LYS 326 N 0.54 0.97 -0.37 1.57 1.79 -1.20 -0.48 116.57 119.39 1bxb h LYS 326 Ca 0.14 -0.18 -0.11 0.00 -2.18 0.00 0.00 60.65 58.33 1bxb h LYS 326 Cb 0.13 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1bxb h LYS 326 CO -0.02 0.82 -0.21 1.49 -1.08 0.00 0.00 179.45 180.45 1bxb h GLU 327 N 0.95 0.79 -0.63 3.15 4.81 -1.12 -0.99 114.58 121.53 1bxb h GLU 327 Ca 0.22 -0.36 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 1bxb h GLU 327 Cb 0.23 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1bxb h GLU 327 CO -0.01 0.98 0.05 -0.07 -0.73 0.00 0.00 179.01 179.23 1bxb h LEU 328 N 0.58 1.04 -0.61 1.64 3.38 -0.62 -2.82 115.31 117.91 1bxb h LEU 328 Ca 0.08 -0.29 -0.15 0.00 0.09 0.00 0.00 57.88 57.61 1bxb h LEU 328 Cb 0.76 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1bxb h LEU 328 CO 0.06 1.07 -0.64 -0.07 0.09 0.00 0.00 178.44 178.95 1bxb h LEU 329 N 0.98 0.26 -0.61 1.67 3.38 -1.01 -0.04 115.31 119.93 1bxb h LEU 329 Ca 0.18 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1bxb h LEU 329 Cb 0.50 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1bxb h LEU 329 CO 0.02 0.83 -0.15 0.00 0.09 0.00 0.00 178.44 179.23 1bxb h ALA 330 N 1.17 0.81 -0.23 1.53 0.00 -1.11 -0.39 119.26 121.05 1bxb h ALA 330 Ca -0.01 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 1bxb h ALA 330 Cb 1.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1bxb h ALA 330 CO 0.10 0.66 -0.60 0.00 0.00 0.00 0.00 179.25 179.40 1bxb h ALA 331 N 0.99 0.50 -0.86 0.00 0.00 -1.37 -2.48 119.26 116.03 1bxb h ALA 331 Ca 0.13 -0.54 0.06 0.00 0.00 0.00 0.00 54.91 54.56 1bxb h ALA 331 Cb 0.69 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1bxb h ALA 331 CO 0.05 0.69 0.54 -0.92 0.00 0.00 0.00 179.25 179.61 1bxb h TYR 332 N 0.56 0.99 -0.68 0.00 3.20 -0.56 -2.75 116.97 117.74 1bxb h TYR 332 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1bxb h TYR 332 Cb 1.20 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.15 1bxb h TYR 332 CO 0.07 0.49 0.00 0.66 -1.64 0.00 0.00 178.16 177.74 1bxb n TYR 333 N -4.62 1.40 -1.64 -3.82 4.01 -0.20 -4.99 117.16 107.30 1bxb n TYR 333 Ca 0.13 -0.59 -0.61 0.00 -0.16 0.00 0.00 57.90 56.67 1bxb n TYR 333 Cb 0.19 -0.19 -0.08 0.00 -0.31 0.00 0.00 39.34 38.94 1bxb n TYR 333 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1bxb n GLN 334 N 1.28 0.39 -3.96 -0.72 -0.06 -0.94 -4.95 117.38 108.43 1bxb n GLN 334 Ca 0.26 0.14 -0.30 0.00 -2.00 0.00 0.00 57.00 55.10 1bxb n GLN 334 Cb 0.84 -1.70 -0.16 0.00 -4.06 0.00 0.00 30.24 25.17 1bxb n GLN 334 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1bxb s GLU 335 N 1.78 1.75 -0.03 3.69 2.02 -1.26 -5.10 118.70 121.55 1bxb s GLU 335 Ca 0.96 -0.95 -0.30 0.00 0.02 0.00 0.00 54.97 54.71 1bxb s GLU 335 Cb -1.27 -2.53 -0.05 0.00 0.10 0.00 0.00 34.13 30.38 1bxb s GLU 335 CO 0.66 -0.54 1.52 0.34 0.02 0.00 0.00 175.26 177.26 1bxb s ASP 336 N 1.39 6.75 0.42 -0.19 -1.08 -1.26 -4.95 116.67 117.76 1bxb s ASP 336 Ca -0.05 2.16 0.09 0.00 -0.52 0.00 0.00 52.55 54.24 1bxb s ASP 336 Cb -0.18 -2.55 0.93 0.00 -1.46 0.00 0.00 42.92 39.66 1bxb s ASP 336 CO -0.07 -0.83 2.05 -0.65 0.52 0.00 0.00 175.17 176.19 1bxb h PRO 337 N 8.65 0.47 -0.75 4.34 0.11 -1.99 -0.65 132.00 142.18 1bxb h PRO 337 Ca -0.38 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 1bxb h PRO 337 Cb 1.17 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1bxb h PRO 337 CO 0.94 0.31 0.34 0.00 -0.21 0.00 0.00 178.00 179.38 1bxb h ALA 338 N 1.76 1.18 -0.16 -0.75 0.00 -2.00 -2.26 119.26 117.02 1bxb h ALA 338 Ca 0.16 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1bxb h ALA 338 Cb 0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1bxb h ALA 338 CO -0.04 0.61 -0.20 0.00 0.00 0.00 0.00 179.25 179.62 1bxb h ALA 339 N 1.29 0.24 -0.46 0.00 0.00 -1.66 -3.24 119.26 115.44 1bxb h ALA 339 Ca 0.26 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1bxb h ALA 339 Cb 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1bxb h ALA 339 CO -0.03 0.18 0.32 -0.07 0.00 0.00 0.00 179.25 179.65 1bxb h LEU 340 N 0.06 0.19 -1.15 0.00 4.07 -1.02 -1.85 115.31 115.61 1bxb h LEU 340 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1bxb h LEU 340 Cb 0.76 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.46 1bxb h LEU 340 CO 0.05 0.12 0.00 0.00 -1.08 0.00 0.00 178.44 177.53 1bxb h ALA 341 N 1.77 1.00 -0.01 1.53 0.00 -1.43 -2.02 119.26 120.10 1bxb h ALA 341 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1bxb h ALA 341 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1bxb h ALA 341 CO -0.04 0.00 -0.31 1.28 0.00 0.00 0.00 179.25 180.19 1bxb n LEU 342 N -2.74 1.05 -4.81 0.00 4.77 -0.70 -4.94 117.00 109.63 1bxb n LEU 342 Ca 0.01 -0.28 -0.28 0.00 -0.03 0.00 0.00 56.01 55.43 1bxb n LEU 342 Cb 0.28 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1bxb n LEU 342 CO 0.24 0.20 -0.11 -0.76 -1.33 0.00 0.00 177.39 175.64 1bxb s LEU 343 N -2.55 2.67 0.00 2.23 1.43 -0.76 -4.90 118.68 116.81 1bxb s LEU 343 Ca 0.22 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 51.98 1bxb s LEU 343 Cb 0.19 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 45.31 1bxb s LEU 343 CO 0.54 -0.87 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1bxb n GLY 344 N -1.46 -1.02 3.74 -3.19 0.00 -1.26 -4.99 105.19 97.00 1bxb n GLY 344 Ca -0.07 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 1bxb n GLY 344 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bxb n PRO 345 N 0.00 2.00 -1.88 1.61 -0.02 -1.26 -4.94 135.00 130.52 1bxb n PRO 345 Ca 0.00 0.72 -0.38 0.00 -2.02 0.00 0.00 63.50 61.82 1bxb n PRO 345 Cb 0.00 -2.55 0.04 0.00 -0.02 0.00 0.00 33.50 30.96 1bxb n PRO 345 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1bxb s TYR 346 N -1.23 2.36 0.12 6.00 5.04 -1.26 -4.96 117.35 123.42 1bxb s TYR 346 Ca 0.64 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 56.70 1bxb s TYR 346 Cb -0.45 -3.69 0.00 0.00 0.35 0.00 0.00 41.96 38.17 1bxb s TYR 346 CO 0.55 -2.61 0.00 0.45 -1.34 0.00 0.00 175.55 172.60 1bxb n SER 347 N -1.10 0.55 0.00 4.32 2.88 -1.26 -5.02 113.62 113.99 1bxb n SER 347 Ca 0.11 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1bxb n SER 347 Cb 0.46 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1bxb n SER 347 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1bxb n ARG 348 N -3.34 0.00 0.08 -1.46 3.00 -1.26 -4.72 116.66 108.96 1bxb n ARG 348 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 1bxb n ARG 348 Cb 0.09 0.00 0.19 0.00 0.00 0.00 0.00 32.46 32.74 1bxb n ARG 348 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1bxb h GLU 349 N 0.00 0.27 -0.35 -0.14 4.11 -1.99 -0.33 114.58 116.15 1bxb h GLU 349 Ca 0.00 -0.14 -0.11 0.00 0.07 0.00 0.00 59.36 59.18 1bxb h GLU 349 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1bxb h GLU 349 CO 0.00 0.67 -0.23 0.87 0.07 0.00 0.00 179.01 180.39 1bxb h LYS 350 N 0.22 0.77 -0.46 1.06 1.57 -1.95 -1.57 116.57 116.22 1bxb h LYS 350 Ca 0.02 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.41 1bxb h LYS 350 Cb 0.88 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1bxb h LYS 350 CO 0.07 0.98 0.17 0.00 -0.57 0.00 0.00 179.45 180.11 1bxb h ALA 351 N 0.77 1.44 0.09 3.86 0.00 -1.85 0.11 119.26 123.68 1bxb h ALA 351 Ca 0.07 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 1bxb h ALA 351 Cb 0.78 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.41 1bxb h ALA 351 CO 0.06 0.42 -0.96 1.49 0.00 0.00 0.00 179.25 180.27 1bxb h GLU 352 N 0.65 0.48 -0.58 0.00 4.57 -1.04 -2.35 114.58 116.32 1bxb h GLU 352 Ca 0.16 -0.64 -0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1bxb h GLU 352 Cb 0.15 0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1bxb h GLU 352 CO -0.01 1.27 0.35 0.00 -1.18 0.00 0.00 179.01 179.44 1bxb h ALA 353 N 0.24 0.74 -0.36 2.92 0.00 -1.10 -2.85 119.26 118.84 1bxb h ALA 353 Ca -0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1bxb h ALA 353 Cb 1.68 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1bxb h ALA 353 CO 0.18 0.23 0.21 1.25 0.00 0.00 0.00 179.25 181.12 1bxb h LEU 354 N 0.79 0.45 -1.76 0.00 5.85 -0.81 0.11 115.31 119.94 1bxb h LEU 354 Ca 0.21 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1bxb h LEU 354 Cb -0.02 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1bxb h LEU 354 CO -0.04 0.40 0.00 0.11 -0.34 0.00 0.00 178.44 178.57 1bxb h LYS 355 N 0.47 0.00 0.00 1.25 1.57 -1.22 -2.66 116.57 115.98 1bxb h LYS 355 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1bxb h LYS 355 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1bxb h LYS 355 CO -0.02 0.00 -0.10 2.89 -0.57 0.00 0.00 179.45 181.64 1bxb n ARG 356 N -2.72 1.28 -1.42 3.15 1.85 -1.04 -5.06 116.66 112.71 1bxb n ARG 356 Ca -0.01 -1.71 -0.31 0.00 -1.00 0.00 0.00 57.85 54.82 1bxb n ARG 356 Cb 0.16 -1.04 0.07 0.00 -1.05 0.00 0.00 32.46 30.60 1bxb n ARG 356 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1bxb s ALA 357 N -1.43 2.40 -0.83 2.89 0.00 0.00 -4.98 121.76 119.81 1bxb s ALA 357 Ca 0.13 0.25 -0.15 0.00 0.00 0.00 0.00 51.96 52.19 1bxb s ALA 357 Cb 0.11 -3.25 0.19 0.00 0.00 0.00 0.00 23.12 20.17 1bxb s ALA 357 CO 0.01 -1.55 0.84 -2.00 0.00 0.00 0.00 175.76 173.07 1bxb s GLU 358 N -4.83 3.56 0.05 0.00 2.56 -1.26 -5.04 118.70 113.74 1bxb s GLU 358 Ca 0.61 -2.22 -0.27 0.00 0.00 0.00 0.00 54.97 53.09 1bxb s GLU 358 Cb -0.17 -4.53 -0.05 0.00 2.00 0.00 0.00 34.13 31.38 1bxb s GLU 358 CO 0.54 -1.42 0.84 -0.51 -0.56 0.00 0.00 175.26 174.14 1bxb s LEU 359 N 0.93 4.44 -1.35 2.70 1.43 -1.26 -4.95 118.68 120.61 1bxb s LEU 359 Ca 0.21 1.54 -0.08 0.00 -1.03 0.00 0.00 54.13 54.76 1bxb s LEU 359 Cb -0.10 -3.35 -0.08 0.00 0.03 0.00 0.00 46.19 42.69 1bxb s LEU 359 CO -0.08 -0.05 2.68 -0.81 0.23 0.00 0.00 176.35 178.32 1bxb n PRO 360 N 3.00 3.11 -0.24 1.29 -0.04 -1.26 -4.70 135.00 136.16 1bxb n PRO 360 Ca -0.00 -1.92 -0.06 0.00 -0.04 0.00 0.00 63.50 61.48 1bxb n PRO 360 Cb 0.50 -2.66 0.09 0.00 -0.04 0.00 0.00 33.50 31.39 1bxb n PRO 360 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bxb h LEU 361 N 7.41 1.03 -0.73 1.53 4.07 -1.99 -2.67 115.31 123.95 1bxb h LEU 361 Ca 0.73 -0.19 -0.10 0.00 0.08 0.00 0.00 57.88 58.40 1bxb h LEU 361 Cb 0.26 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 1bxb h LEU 361 CO 1.64 0.96 -0.12 -0.08 -1.08 0.00 0.00 178.44 179.75 1bxb h GLU 362 N 1.06 0.84 -0.46 1.13 4.57 -1.99 0.48 114.58 120.21 1bxb h GLU 362 Ca 0.23 -0.29 -0.11 0.00 -1.18 0.00 0.00 59.36 58.01 1bxb h GLU 362 Cb 0.30 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1bxb h GLU 362 CO -0.01 0.92 -0.14 0.00 -1.18 0.00 0.00 179.01 178.60 1bxb h ALA 363 N 1.10 0.88 -0.00 2.92 0.00 -1.90 -2.73 119.26 119.54 1bxb h ALA 363 Ca 0.12 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 1bxb h ALA 363 Cb 0.63 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1bxb h ALA 363 CO 0.04 0.64 -0.78 0.87 0.00 0.00 0.00 179.25 180.02 1bxb h LYS 364 N 0.77 0.06 0.00 0.00 1.79 -1.06 -1.79 116.57 116.34 1bxb h LYS 364 Ca 0.12 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1bxb h LYS 364 Cb 0.66 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1bxb h LYS 364 CO 0.05 0.81 0.00 0.00 -1.08 0.00 0.00 179.45 179.23 1bxb h ARG 365 N 0.04 0.00 0.00 3.15 3.08 -0.62 -2.99 114.38 117.03 1bxb h ARG 365 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1bxb h ARG 365 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1bxb h ARG 365 CO 0.11 0.00 -0.71 0.54 -1.07 0.00 0.00 179.97 178.84 1bxb n ARG 366 N -2.79 2.56 -1.72 0.04 1.74 -1.10 -4.98 116.66 110.41 1bxb n ARG 366 Ca 0.01 -0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1bxb n ARG 366 Cb 0.27 -1.12 -0.02 0.00 -1.02 0.00 0.00 32.46 30.57 1bxb n ARG 366 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1bxb n ARG 367 N -1.37 2.48 -4.14 5.56 0.63 -0.69 -5.01 116.66 114.13 1bxb n ARG 367 Ca 0.02 0.88 -0.35 0.00 -0.92 0.00 0.00 57.85 57.49 1bxb n ARG 367 Cb 0.21 -2.63 -0.10 0.00 0.45 0.00 0.00 32.46 30.40 1bxb n ARG 367 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1bxb s GLY 368 N 0.48 1.90 0.00 5.14 0.00 -1.26 -5.00 107.32 108.57 1bxb s GLY 368 Ca 0.66 -0.76 0.25 0.00 0.00 0.00 0.00 44.72 44.87 1bxb s GLY 368 CO 0.48 -0.16 1.69 -1.72 0.00 0.00 0.00 173.10 173.38 1bxb n TYR 369 N 3.02 0.09 -3.55 1.90 4.02 -1.26 -4.95 117.16 116.44 1bxb n TYR 369 Ca -0.18 -0.04 -0.26 0.00 -0.01 0.00 0.00 57.90 57.41 1bxb n TYR 369 Cb 0.53 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.87 1bxb n TYR 369 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bxb n ALA 370 N 0.15 -1.14 0.15 -0.72 0.00 -1.26 -4.87 120.51 112.81 1bxb n ALA 370 Ca 0.18 0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.89 1bxb n ALA 370 Cb 0.32 -3.77 0.06 0.00 0.00 0.00 0.00 19.45 16.06 1bxb n ALA 370 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1bxb h LEU 371 N -1.55 0.00 -0.48 0.00 3.38 -1.99 -2.49 115.31 112.18 1bxb h LEU 371 Ca -0.52 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.31 1bxb h LEU 371 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1bxb h LEU 371 CO 0.60 0.10 -0.35 -0.08 0.09 0.00 0.00 178.44 178.80 1bxb h GLU 372 N 0.00 0.87 -0.19 1.13 4.57 -1.99 0.31 114.58 119.29 1bxb h GLU 372 Ca -0.02 -0.43 -0.06 0.00 -1.18 0.00 0.00 59.36 57.67 1bxb h GLU 372 Cb 1.09 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1bxb h GLU 372 CO 0.01 1.08 -0.12 -0.09 -1.18 0.00 0.00 179.01 178.71 1bxb h ARG 373 N 0.72 0.41 -0.72 1.92 2.43 -1.95 -1.42 114.38 115.76 1bxb h ARG 373 Ca 0.07 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1bxb h ARG 373 Cb 0.92 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 1bxb h ARG 373 CO 0.09 0.73 0.42 1.25 -1.51 0.00 0.00 179.97 180.94 1bxb h LEU 374 N 0.08 0.88 -0.62 3.80 5.85 -1.38 -1.89 115.31 122.04 1bxb h LEU 374 Ca 0.04 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1bxb h LEU 374 Cb 0.62 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1bxb h LEU 374 CO 0.03 0.70 0.06 -0.78 -0.34 0.00 0.00 178.44 178.11 1bxb h ASP 375 N 0.99 1.02 -0.54 1.25 3.58 -0.85 -1.58 116.42 120.29 1bxb h ASP 375 Ca 0.26 -0.28 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 1bxb h ASP 375 Cb -0.01 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.74 1bxb h ASP 375 CO -0.05 1.04 0.21 -0.61 -2.88 0.00 0.00 179.24 176.95 1bxb h GLN 376 N 0.96 0.86 -0.63 0.28 5.75 -1.08 -0.74 115.11 120.50 1bxb h GLN 376 Ca 0.18 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.48 1bxb h GLN 376 Cb 0.49 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 1bxb h GLN 376 CO 0.02 0.73 0.19 1.25 -2.65 0.00 0.00 178.83 178.36 1bxb h LEU 377 N 0.84 0.93 -0.35 -2.39 5.85 -0.93 -0.28 115.31 118.99 1bxb h LEU 377 Ca 0.20 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1bxb h LEU 377 Cb 0.21 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1bxb h LEU 377 CO -0.01 0.90 0.16 0.00 -0.34 0.00 0.00 178.44 179.15 1bxb h ALA 378 N 1.07 0.45 -0.78 1.25 0.00 -0.63 -0.85 119.26 119.77 1bxb h ALA 378 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1bxb h ALA 378 Cb 0.31 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1bxb h ALA 378 CO -0.00 0.02 0.49 0.28 0.00 0.00 0.00 179.25 180.04 1bxb h VAL 379 N 0.42 1.21 -0.02 0.00 2.07 -0.88 -1.06 116.25 117.99 1bxb h VAL 379 Ca 0.12 -0.42 -0.16 0.00 0.82 0.00 0.00 66.70 67.05 1bxb h VAL 379 Cb 0.14 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1bxb h VAL 379 CO -0.01 0.21 -0.73 -0.33 0.02 0.00 0.00 177.57 176.73 1bxb h GLU 380 N 1.06 0.15 0.15 1.57 5.08 -0.73 -0.39 114.58 121.47 1bxb h GLU 380 Ca 0.28 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1bxb h GLU 380 Cb -0.08 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1bxb h GLU 380 CO -0.06 0.81 -0.07 1.88 -1.00 0.00 0.00 179.01 180.58 1bxb h TYR 381 N 0.10 -0.19 -0.76 4.33 0.05 -0.86 0.43 116.97 120.08 1bxb h TYR 381 Ca -0.02 -0.00 0.15 0.00 0.05 0.00 0.00 58.73 58.91 1bxb h TYR 381 Cb 1.29 0.06 -0.10 0.00 1.01 0.00 0.00 36.73 38.99 1bxb h TYR 381 CO 0.02 0.00 0.29 -0.07 -1.05 0.00 0.00 178.16 177.35 1bxb h LEU 382 N -0.34 0.25 0.00 3.88 3.38 -1.03 0.24 115.31 121.69 1bxb h LEU 382 Ca -0.02 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1bxb h LEU 382 Cb 0.27 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1bxb h LEU 382 CO 0.03 0.08 0.00 0.18 0.09 0.00 0.00 178.44 178.82 1bxb n LEU 383 N -5.03 0.00 -0.68 1.67 4.77 -0.17 -4.88 117.00 112.68 1bxb n LEU 383 Ca 0.15 0.37 -0.08 0.00 -0.03 0.00 0.00 56.01 56.42 1bxb n LEU 383 Cb 0.44 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1bxb n LEU 383 CO 0.17 -0.09 -0.08 0.61 -1.33 0.00 0.00 177.39 176.66 1bxb n GLY 384 N 0.66 0.66 0.07 -0.72 0.00 0.07 -4.90 105.19 101.04 1bxb n GLY 384 Ca 0.09 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.57 1bxb n GLY 384 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bxb h VAL 385 N 0.00 0.00 -3.85 1.61 2.07 -1.16 -3.46 116.25 111.46 1bxb h VAL 385 Ca -0.17 -0.55 -0.57 0.00 0.82 0.00 0.00 66.70 66.24 1bxb h VAL 385 Cb 0.72 1.11 -0.21 0.00 -1.52 0.00 0.00 31.29 31.38 1bxb h VAL 385 CO 0.22 0.00 -0.83 -0.13 0.02 0.00 0.00 177.57 176.86 1bxb s ARG 386 N -3.19 1.17 0.00 1.57 0.52 -1.17 -5.00 118.95 112.85 1bxb s ARG 386 Ca 0.05 -1.21 0.26 0.00 -0.52 0.00 0.00 55.73 54.32 1bxb s ARG 386 Cb 0.13 -1.43 1.56 0.00 0.52 0.00 0.00 34.95 35.73 1bxb s ARG 386 CO 0.73 0.33 1.92 0.41 0.02 0.00 0.00 175.30 178.71