#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 3.39 -3.78 3.17 4.01 -1.26 -5.02 117.16 117.68 1bxb n TYR 2 Ca 0.00 -3.06 -0.35 0.00 -0.16 0.00 0.00 57.90 54.33 1bxb n TYR 2 Cb 0.00 -0.26 -0.08 0.00 -0.31 0.00 0.00 39.34 38.69 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 -3.62 4.15 0.31 -0.72 0.41 -1.26 -4.71 118.70 113.26 1bxb s GLU 3 Ca 0.49 -0.24 -0.29 0.00 -0.41 0.00 0.00 54.97 54.51 1bxb s GLU 3 Cb 0.40 -3.39 -0.11 0.00 -1.78 0.00 0.00 34.13 29.25 1bxb s GLU 3 CO -0.22 0.29 1.48 -2.14 -0.49 0.00 0.00 175.26 174.18 1bxb s PRO 4 N 0.39 4.18 0.24 0.39 0.02 -1.26 -5.04 135.00 133.92 1bxb s PRO 4 Ca 0.07 2.46 0.08 0.00 0.02 0.00 0.00 61.00 63.63 1bxb s PRO 4 Cb -0.11 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.32 1bxb s PRO 4 CO -0.01 -0.49 -0.12 0.15 -0.33 0.00 0.00 177.00 176.20 1bxb s LYS 5 N -1.15 1.43 0.41 5.54 1.02 -1.26 -4.84 119.74 120.89 1bxb s LYS 5 Ca 0.57 -1.67 0.20 0.00 0.02 0.00 0.00 55.97 55.09 1bxb s LYS 5 Cb -0.45 -1.17 0.89 0.00 -0.52 0.00 0.00 37.83 36.58 1bxb s LYS 5 CO 0.52 0.14 1.84 -1.00 -0.92 0.00 0.00 175.35 175.94 1bxb h PRO 6 N 2.44 0.00 0.00 -1.68 0.13 -1.92 -1.62 132.00 129.36 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 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1bxb h PRO 6 CO 0.64 0.31 0.00 -0.85 -0.23 0.00 0.00 178.00 177.86 1bxb n GLU 7 N -3.68 0.18 0.22 0.86 0.00 -1.26 -1.74 120.64 115.22 1bxb n GLU 7 Ca -0.01 0.41 0.09 0.00 0.00 0.00 0.00 57.16 57.65 1bxb n GLU 7 Cb 0.42 -1.84 0.47 0.00 0.00 0.00 0.00 31.44 30.49 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 -5.90 -1.84 3.86 -1.70 -3.47 115.15 106.10 1bxb h HIS 8 Ca 0.00 0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 58.81 1bxb h HIS 8 Cb 0.35 0.00 0.11 0.00 1.06 0.00 0.00 27.41 28.94 1bxb h HIS 8 CO 0.00 0.24 -0.71 0.54 0.86 0.00 0.00 177.93 178.87 1bxb n ARG 9 N -3.47 -7.41 -2.52 2.45 1.74 -0.71 -4.57 116.66 102.17 1bxb n ARG 9 Ca -0.00 0.79 -0.42 0.00 -0.77 0.00 0.00 57.85 57.45 1bxb n ARG 9 Cb 0.42 -5.81 -0.03 0.00 -1.02 0.00 0.00 32.46 26.01 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 -3.33 3.53 0.17 -1.55 0.08 -1.26 -0.67 117.98 114.95 1bxb s PHE 10 Ca 0.52 1.47 0.06 0.00 0.12 0.00 0.00 56.93 59.10 1bxb s PHE 10 Cb -0.23 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 38.87 1bxb s PHE 10 CO 0.75 -0.79 -0.13 0.95 -0.10 0.00 0.00 175.22 175.90 1bxb s THR 11 N 0.85 1.50 -0.02 0.64 -4.23 -0.57 -0.12 115.64 113.69 1bxb s THR 11 Ca 0.55 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 1bxb s THR 11 Cb -0.27 -1.90 0.01 0.00 1.34 0.00 0.00 72.50 71.68 1bxb s THR 11 CO 0.30 -0.61 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.38 1bxb s PHE 12 N -2.95 0.33 0.58 3.99 0.40 -1.08 -2.08 117.98 117.17 1bxb s PHE 12 Ca 0.18 -0.04 -0.17 0.00 -0.60 0.00 0.00 56.93 56.31 1bxb s PHE 12 Cb -0.00 -0.31 -0.04 0.00 0.51 0.00 0.00 43.02 43.18 1bxb s PHE 12 CO 0.04 -0.07 1.06 0.20 0.70 0.00 0.00 175.22 177.16 1bxb s GLY 13 N 0.42 2.22 0.38 4.36 0.00 -1.26 -1.73 107.32 111.72 1bxb s GLY 13 Ca -0.04 0.47 0.07 0.00 0.00 0.00 0.00 44.72 45.22 1bxb s GLY 13 CO -0.01 0.79 1.99 1.41 0.00 0.00 0.00 173.10 177.28 1bxb h LEU 14 N 0.64 0.57 -0.03 0.66 3.38 -1.24 -1.63 115.31 117.67 1bxb h LEU 14 Ca -0.47 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1bxb h LEU 14 Cb 1.22 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1bxb h LEU 14 CO 0.57 0.38 0.00 -2.67 0.09 0.00 0.00 178.44 176.81 1bxb n TRP 15 N -4.47 0.04 -0.01 1.13 2.14 -1.26 -1.35 117.44 113.65 1bxb n TRP 15 Ca 0.09 0.01 -0.00 0.00 2.07 0.00 0.00 57.50 59.67 1bxb n TRP 15 Cb 0.21 -0.52 -0.00 0.00 -0.81 0.00 0.00 31.31 30.18 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 -1.52 -2.94 112.91 108.12 1bxb h THR 16 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1bxb h THR 16 Cb 0.28 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.70 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 -0.13 0.00 -0.01 6.82 -1.51 -1.68 -2.88 116.25 116.87 1bxb h VAL 17 Ca 0.00 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1bxb h VAL 17 Cb 0.03 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 1bxb h VAL 17 CO 0.00 0.00 -0.07 0.61 -1.23 0.00 0.00 177.57 176.88 1bxb n GLY 18 N 0.17 -0.71 3.68 5.19 0.00 -0.46 -4.90 105.19 108.17 1bxb n GLY 18 Ca 0.01 -0.30 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 1bxb n GLY 18 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bxb n ASN 19 N -0.67 3.41 -0.50 1.61 5.15 -1.09 -4.66 115.26 118.52 1bxb n ASN 19 Ca 0.17 1.05 0.13 0.00 -0.60 0.00 0.00 54.58 55.34 1bxb n ASN 19 Cb 0.26 -1.46 0.50 0.00 -0.53 0.00 0.00 39.78 38.55 1bxb n ASN 19 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1bxb n VAL 20 N 3.88 0.04 -0.74 3.44 0.24 -1.26 -4.90 118.33 119.03 1bxb n VAL 20 Ca 0.18 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1bxb n VAL 20 Cb 0.31 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 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 1.17 0.55 3.76 7.63 0.00 -1.26 -1.06 105.19 115.97 1bxb n GLY 21 Ca 0.18 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.44 4.58 0.30 1.61 3.52 -1.26 -4.02 118.95 122.24 1bxb s ARG 22 Ca 0.00 1.18 0.05 0.00 -0.13 0.00 0.00 55.73 56.84 1bxb s ARG 22 Cb 0.00 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 1bxb s ARG 22 CO 0.00 0.47 0.19 -0.40 -0.81 0.00 0.00 175.30 174.75 1bxb n ASP 23 N 1.96 0.07 0.05 -2.12 5.68 -0.98 -4.97 116.55 116.23 1bxb n ASP 23 Ca -0.04 -2.81 0.07 0.00 -0.50 0.00 0.00 54.79 51.51 1bxb n ASP 23 Cb 0.49 1.19 0.31 0.00 -1.14 0.00 0.00 41.12 41.97 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 -0.61 0.06 -0.06 0.11 -0.02 -1.26 -2.43 135.00 130.78 1bxb n PRO 24 Ca 0.02 0.38 0.05 0.00 -2.02 0.00 0.00 63.50 61.93 1bxb n PRO 24 Cb 0.50 -1.63 0.07 0.00 -0.02 0.00 0.00 33.50 32.42 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 -1.74 0.00 -3.58 6.00 3.72 -1.26 -5.07 117.46 115.54 1bxb n PHE 25 Ca 0.02 -0.70 -0.16 0.00 -0.05 0.00 0.00 57.45 56.57 1bxb n PHE 25 Cb 0.13 -0.10 -0.06 0.00 -0.94 0.00 0.00 39.48 38.51 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 -1.89 -0.54 0.78 1.37 0.00 -1.02 -5.16 107.32 100.86 1bxb s GLY 26 Ca 0.16 1.71 -0.11 0.00 0.00 0.00 0.00 44.72 46.48 1bxb s GLY 26 CO 0.01 1.35 1.10 0.99 0.00 0.00 0.00 173.10 176.55 1bxb s ASP 27 N -0.44 4.39 0.38 1.64 1.01 -1.26 -2.33 116.67 120.06 1bxb s ASP 27 Ca -0.05 1.87 -0.27 0.00 0.71 0.00 0.00 52.55 54.81 1bxb s ASP 27 Cb -0.02 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.27 1bxb s ASP 27 CO 0.05 -2.11 1.33 0.00 0.21 0.00 0.00 175.17 174.65 1bxb n ALA 28 N -3.52 1.55 0.42 5.23 0.00 -1.26 -4.37 120.51 118.56 1bxb n ALA 28 Ca 0.09 0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.90 1bxb n ALA 28 Cb 0.53 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 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 0.16 0.00 -4.38 0.00 0.24 -0.23 -4.89 118.33 109.23 1bxb n VAL 29 Ca 0.05 -0.33 -0.19 0.00 -2.04 0.00 0.00 64.34 61.82 1bxb n VAL 29 Cb 0.38 1.04 -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 -1.66 1.42 0.29 7.34 0.52 -0.29 -4.96 118.95 121.60 1bxb s ARG 30 Ca 0.05 -1.69 -0.20 0.00 -0.52 0.00 0.00 55.73 53.38 1bxb s ARG 30 Cb 0.07 -1.04 -0.09 0.00 0.52 0.00 0.00 34.95 34.41 1bxb s ARG 30 CO 0.32 0.07 0.79 -1.21 0.02 0.00 0.00 175.30 175.29 1bxb s GLU 31 N -3.72 4.24 0.23 3.54 0.41 -1.26 -4.77 118.70 117.37 1bxb s GLU 31 Ca 0.26 0.92 -0.31 0.00 -0.41 0.00 0.00 54.97 55.44 1bxb s GLU 31 Cb 0.02 -2.68 -0.11 0.00 -1.78 0.00 0.00 34.13 29.59 1bxb s GLU 31 CO 0.09 0.27 1.58 0.50 -0.49 0.00 0.00 175.26 177.22 1bxb s ARG 32 N -2.37 4.17 0.02 1.61 3.52 -1.26 -4.88 118.95 119.77 1bxb s ARG 32 Ca 0.49 2.48 -0.00 0.00 -0.13 0.00 0.00 55.73 58.56 1bxb s ARG 32 Cb -0.15 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.12 1bxb s ARG 32 CO 0.20 -0.61 0.13 -0.51 -0.81 0.00 0.00 175.30 173.70 1bxb s LEU 33 N 0.28 4.08 0.04 -0.88 1.43 -1.26 -5.09 118.68 117.28 1bxb s LEU 33 Ca 0.67 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.65 1bxb s LEU 33 Cb -0.46 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 1bxb s LEU 33 CO 0.39 0.23 1.09 -0.62 0.23 0.00 0.00 176.35 177.68 1bxb s ASP 34 N -2.07 7.22 0.35 2.29 2.15 -1.26 -4.93 116.67 120.42 1bxb s ASP 34 Ca 0.28 1.85 0.14 0.00 0.43 0.00 0.00 52.55 55.25 1bxb s ASP 34 Cb -0.12 -2.58 1.02 0.00 -0.30 0.00 0.00 42.92 40.94 1bxb s ASP 34 CO 0.19 -0.37 1.72 -0.65 -0.17 0.00 0.00 175.17 175.90 1bxb h PRO 35 N 6.76 0.44 -0.12 4.34 0.11 -1.98 0.10 132.00 141.65 1bxb h PRO 35 Ca -0.41 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 1bxb h PRO 35 Cb 1.22 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1bxb h PRO 35 CO 0.78 0.29 -0.53 0.28 -0.21 0.00 0.00 178.00 178.61 1bxb h VAL 36 N 0.45 1.34 -0.31 3.15 2.07 -1.95 -2.26 116.25 118.74 1bxb h VAL 36 Ca 0.66 -1.80 -0.16 0.00 0.82 0.00 0.00 66.70 66.23 1bxb h VAL 36 Cb 1.48 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1bxb h VAL 36 CO -0.45 0.54 -0.43 0.22 0.02 0.00 0.00 177.57 177.47 1bxb h TYR 37 N 0.27 1.04 0.00 1.57 3.20 -1.24 -2.58 116.97 119.23 1bxb h TYR 37 Ca 0.01 -0.34 -0.11 0.00 3.14 0.00 0.00 58.73 61.43 1bxb h TYR 37 Cb 1.02 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1bxb h TYR 37 CO 0.03 1.15 -0.51 -0.39 -1.64 0.00 0.00 178.16 176.80 1bxb h VAL 38 N 0.63 1.22 -0.63 1.81 -1.51 -1.11 -1.99 116.25 114.67 1bxb h VAL 38 Ca 0.03 -1.84 0.01 0.00 -1.23 0.00 0.00 66.70 63.67 1bxb h VAL 38 Cb 1.03 2.03 -0.03 0.00 -2.13 0.00 0.00 31.29 32.19 1bxb h VAL 38 CO 0.10 0.50 0.41 0.58 -1.23 0.00 0.00 177.57 177.94 1bxb h VAL 39 N 0.00 1.16 -0.36 7.19 2.07 -1.33 0.44 116.25 125.42 1bxb h VAL 39 Ca -0.01 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.11 1bxb h VAL 39 Cb 0.99 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1bxb h VAL 39 CO 0.07 0.15 -0.25 0.45 0.02 0.00 0.00 177.57 178.01 1bxb h HIS 40 N 0.85 0.82 -0.05 1.57 -0.00 -1.30 -2.03 115.15 115.01 1bxb h HIS 40 Ca 0.23 -0.19 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1bxb h HIS 40 Cb -0.09 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 27.12 1bxb h HIS 40 CO -0.03 0.90 0.01 0.87 -0.00 0.00 0.00 177.93 179.68 1bxb h LYS 41 N 0.63 0.08 -0.90 2.45 1.79 -1.03 -1.88 116.57 117.70 1bxb h LYS 41 Ca 0.08 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.56 1bxb h LYS 41 Cb 0.75 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.34 1bxb h LYS 41 CO 0.06 0.29 0.59 -0.07 -1.08 0.00 0.00 179.45 179.24 1bxb h LEU 42 N -0.15 1.00 -0.56 2.94 3.38 -0.87 -0.27 115.31 120.78 1bxb h LEU 42 Ca 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1bxb h LEU 42 Cb 0.25 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1bxb h LEU 42 CO 0.00 0.70 0.22 0.00 0.09 0.00 0.00 178.44 179.44 1bxb h ALA 43 N 1.36 0.72 -0.28 1.53 0.00 -1.34 -0.82 119.26 120.43 1bxb h ALA 43 Ca 0.35 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1bxb h ALA 43 Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1bxb h ALA 43 CO -0.10 0.34 0.05 1.49 0.00 0.00 0.00 179.25 181.03 1bxb h GLU 44 N 0.76 0.41 0.00 0.00 4.81 -0.75 -2.56 114.58 117.24 1bxb h GLU 44 Ca 0.18 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1bxb h GLU 44 Cb 0.21 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1bxb h GLU 44 CO -0.01 0.39 0.00 -0.07 -0.73 0.00 0.00 179.01 178.59 1bxb h LEU 45 N 0.40 0.00 0.00 1.64 4.07 0.30 -3.47 115.31 118.25 1bxb h LEU 45 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1bxb h LEU 45 Cb 0.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1bxb h LEU 45 CO -0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 1bxb n GLY 46 N 1.23 0.73 3.71 0.83 0.00 -0.61 -4.77 105.19 106.30 1bxb n GLY 46 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1bxb n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxb s ALA 47 N -2.00 1.95 -0.14 4.61 0.00 -0.78 -4.44 121.76 120.96 1bxb s ALA 47 Ca 0.00 0.86 0.13 0.00 0.00 0.00 0.00 51.96 52.95 1bxb s ALA 47 Cb 0.00 -3.49 -0.24 0.00 0.00 0.00 0.00 23.12 19.40 1bxb s ALA 47 CO 0.00 -2.14 0.30 0.98 0.00 0.00 0.00 175.76 174.90 1bxb n TYR 48 N -3.08 0.47 -3.90 0.00 9.36 0.84 -4.69 117.16 116.16 1bxb n TYR 48 Ca 0.13 0.16 -0.08 0.00 3.32 0.00 0.00 57.90 61.44 1bxb n TYR 48 Cb 0.50 -1.08 -0.03 0.00 -0.63 0.00 0.00 39.34 38.10 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 -5.41 0.08 -0.01 2.98 0.00 -1.16 -1.94 107.32 101.85 1bxb s GLY 49 Ca -0.10 -0.46 0.04 0.00 0.00 0.00 0.00 44.72 44.20 1bxb s GLY 49 CO 0.81 -0.23 -0.12 0.54 0.00 0.00 0.00 173.10 174.09 1bxb s VAL 50 N -3.95 0.98 0.34 1.40 0.11 -0.22 -2.63 120.40 116.43 1bxb s VAL 50 Ca 0.14 -0.55 0.08 0.00 -2.93 0.00 0.00 61.98 58.72 1bxb s VAL 50 Cb -0.05 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1bxb s VAL 50 CO 0.07 0.26 0.22 0.20 -3.33 0.00 0.00 175.10 172.53 1bxb s ASN 51 N -0.33 4.96 -0.13 3.54 0.02 -0.70 -3.81 114.94 118.50 1bxb s ASN 51 Ca 0.05 -0.65 -0.26 0.00 -1.02 0.00 0.00 52.86 50.97 1bxb s ASN 51 Cb -0.05 -0.83 0.06 0.00 0.02 0.00 0.00 41.25 40.46 1bxb s ASN 51 CO -0.00 -0.34 0.63 -1.48 0.02 0.00 0.00 177.10 175.92 1bxb s LEU 52 N -3.93 -0.43 0.64 0.60 0.05 -1.16 -0.62 118.68 113.84 1bxb s LEU 52 Ca 0.40 0.90 -0.11 0.00 0.05 0.00 0.00 54.13 55.36 1bxb s LEU 52 Cb -0.04 2.28 -0.03 0.00 -2.05 0.00 0.00 46.19 46.35 1bxb s LEU 52 CO 0.25 -0.43 1.04 -1.00 -0.55 0.00 0.00 176.35 175.65 1bxb s HIS 53 N -0.57 3.49 0.22 3.48 3.76 -1.26 -2.24 115.29 122.18 1bxb s HIS 53 Ca -0.07 1.33 -0.07 0.00 -0.15 0.00 0.00 55.06 56.10 1bxb s HIS 53 Cb -0.02 -2.77 0.34 0.00 1.11 0.00 0.00 32.58 31.24 1bxb s HIS 53 CO 0.06 -0.82 1.74 0.38 -0.85 0.00 0.00 174.74 175.25 1bxb h ASP 54 N -0.37 0.28 0.66 1.40 2.03 -1.87 -1.56 116.42 116.99 1bxb h ASP 54 Ca -0.44 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 1bxb h ASP 54 Cb 1.20 0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1bxb h ASP 54 CO 0.61 0.15 0.00 -0.62 -1.03 0.00 0.00 179.24 178.34 1bxb n GLU 55 N -4.98 0.29 0.12 4.15 1.02 -1.25 -0.90 120.64 119.09 1bxb n GLU 55 Ca 0.11 0.02 -0.03 0.00 -0.02 0.00 0.00 57.16 57.24 1bxb n GLU 55 Cb 0.32 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.39 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 0.12 0.00 1.62 3.32 -1.66 -3.36 116.42 116.45 1bxb h ASP 56 Ca 0.00 -0.07 -0.33 0.00 0.02 0.00 0.00 57.03 56.66 1bxb h ASP 56 Cb 0.33 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.79 1bxb h ASP 56 CO 0.00 0.69 -2.24 -0.11 -1.72 0.00 0.00 179.24 175.86 1bxb n LEU 57 N -3.85 2.89 -3.79 1.55 7.94 -0.81 -4.93 117.00 116.01 1bxb n LEU 57 Ca -0.02 -0.11 -0.30 0.00 -1.11 0.00 0.00 56.01 54.47 1bxb n LEU 57 Cb 0.61 -0.73 -0.15 0.00 0.53 0.00 0.00 43.42 43.68 1bxb n LEU 57 CO 0.43 0.86 -0.35 -0.63 -1.11 0.00 0.00 177.39 176.58 1bxb s ILE 58 N -2.44 1.00 0.61 1.96 1.01 -0.07 -5.02 121.20 118.25 1bxb s ILE 58 Ca -0.29 -1.26 -0.19 0.00 0.00 0.00 0.00 60.65 58.91 1bxb s ILE 58 Cb 0.07 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 1bxb s ILE 58 CO 0.51 -0.48 1.26 -2.65 0.00 0.00 0.00 174.94 173.58 1bxb n PRO 59 N 4.82 1.27 -1.70 2.79 -0.02 -1.26 -3.85 135.00 137.05 1bxb n PRO 59 Ca -0.05 0.48 -0.44 0.00 -2.02 0.00 0.00 63.50 61.48 1bxb n PRO 59 Cb 0.43 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 1bxb n PRO 59 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bxb n ARG 60 N -1.45 2.33 -0.48 -0.52 1.74 -1.26 -2.27 116.66 114.76 1bxb n ARG 60 Ca 0.14 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 58.05 1bxb n ARG 60 Cb 0.47 -2.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.33 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 2.66 0.74 3.69 -0.13 0.00 -1.26 -5.03 105.19 105.86 1bxb n GLY 61 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.89 2.60 0.34 2.61 2.01 -0.96 -4.97 115.64 114.39 1bxb s THR 62 Ca 0.00 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.80 1bxb s THR 62 Cb 0.00 -3.05 -0.10 0.00 0.01 0.00 0.00 72.50 69.36 1bxb s THR 62 CO 0.00 -0.00 1.30 -2.16 -0.69 0.00 0.00 174.62 173.07 1bxb s PRO 63 N 2.82 4.30 0.00 4.92 0.04 -1.26 -4.78 135.00 141.04 1bxb s PRO 63 Ca 0.81 2.19 0.00 0.00 0.04 0.00 0.00 61.00 64.03 1bxb s PRO 63 Cb -0.45 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1bxb s PRO 63 CO 0.36 -0.23 0.53 -0.35 0.04 0.00 0.00 177.00 177.35 1bxb n PRO 64 N 0.69 0.78 -0.07 0.56 -0.04 -1.26 -0.46 135.00 135.19 1bxb n PRO 64 Ca 0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 1bxb n PRO 64 Cb 0.42 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.11 1.35 0.08 0.54 3.00 -1.26 -4.20 117.38 116.79 1bxb n GLN 65 Ca 0.00 0.03 -0.09 0.00 -0.01 0.00 0.00 57.00 56.93 1bxb n GLN 65 Cb 0.12 -1.35 -0.05 0.00 0.00 0.00 0.00 30.24 28.97 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 0.15 -0.42 -1.09 4.81 -1.13 -3.20 114.58 113.71 1bxb h GLU 66 Ca -0.37 -0.20 0.05 0.00 -0.13 0.00 0.00 59.36 58.71 1bxb h GLU 66 Cb 1.75 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 31.15 1bxb h GLU 66 CO -0.01 1.00 0.15 -0.09 -0.73 0.00 0.00 179.01 179.33 1bxb h ARG 67 N 0.07 0.30 0.00 1.92 2.43 -1.56 -0.52 114.38 117.02 1bxb h ARG 67 Ca -0.05 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 1bxb h ARG 67 Cb 1.64 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.11 1bxb h ARG 67 CO 0.14 0.20 -0.41 -0.44 -1.51 0.00 0.00 179.97 177.96 1bxb h ASP 68 N 0.31 0.00 0.03 -3.80 3.32 -1.73 -0.52 116.42 114.02 1bxb h ASP 68 Ca 0.19 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.08 1bxb h ASP 68 Cb 0.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1bxb h ASP 68 CO -0.20 0.41 -0.57 -0.61 -1.72 0.00 0.00 179.24 176.54 1bxb h GLN 69 N 0.00 0.57 -0.22 3.56 5.75 -1.40 -2.38 115.11 120.99 1bxb h GLN 69 Ca -0.00 -0.37 -0.06 0.00 -0.15 0.00 0.00 58.65 58.07 1bxb h GLN 69 Cb 0.89 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.49 1bxb h GLN 69 CO 0.05 0.98 -0.08 0.82 -2.65 0.00 0.00 178.83 177.96 1bxb h ILE 70 N 0.43 1.29 -0.90 2.39 2.04 -0.21 -2.84 117.51 119.71 1bxb h ILE 70 Ca 0.00 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1bxb h ILE 70 Cb 1.13 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.72 1bxb h ILE 70 CO 0.11 0.34 0.53 0.58 0.00 0.00 0.00 178.15 179.70 1bxb h VAL 71 N 0.17 1.25 -0.03 1.67 2.07 -1.09 -1.17 116.25 119.11 1bxb h VAL 71 Ca 0.05 -0.58 -0.22 0.00 0.82 0.00 0.00 66.70 66.78 1bxb h VAL 71 Cb 0.55 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1bxb h VAL 71 CO 0.03 0.27 -0.88 0.08 0.02 0.00 0.00 177.57 177.09 1bxb h ARG 72 N 1.25 0.46 -0.60 1.57 -0.00 -1.47 0.19 114.38 115.78 1bxb h ARG 72 Ca 0.32 -0.46 -0.06 0.00 -0.00 0.00 0.00 59.98 59.79 1bxb h ARG 72 Cb -0.02 0.12 -0.02 0.00 -0.00 0.00 0.00 29.97 30.04 1bxb h ARG 72 CO -0.06 1.10 0.15 -0.09 -0.00 0.00 0.00 179.97 181.07 1bxb h ARG 73 N 0.28 0.97 -0.27 0.08 1.12 -1.36 -1.26 114.38 113.93 1bxb h ARG 73 Ca -0.07 -0.23 -0.01 0.00 -1.11 0.00 0.00 59.98 58.56 1bxb h ARG 73 Cb 1.50 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 31.32 1bxb h ARG 73 CO 0.16 0.89 0.15 0.35 -3.11 0.00 0.00 179.97 178.40 1bxb h PHE 74 N 0.88 0.37 -0.03 2.20 3.57 -0.87 -2.89 116.94 120.17 1bxb h PHE 74 Ca 0.19 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1bxb h PHE 74 Cb 0.35 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1bxb h PHE 74 CO 0.03 0.32 -0.07 0.87 -2.23 0.00 0.00 178.31 177.23 1bxb h LYS 75 N 0.32 0.05 -0.30 1.11 1.57 -0.48 -2.25 116.57 116.58 1bxb h LYS 75 Ca 0.09 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1bxb h LYS 75 Cb 0.07 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1bxb h LYS 75 CO -0.01 0.12 0.15 -0.22 -0.57 0.00 0.00 179.45 178.91 1bxb h LYS 76 N 0.05 0.43 -0.63 3.15 3.11 -1.03 -0.83 116.57 120.82 1bxb h LYS 76 Ca 0.01 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.76 1bxb h LYS 76 Cb 0.16 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.28 1bxb h LYS 76 CO 0.01 0.40 0.27 0.00 -2.81 0.00 0.00 179.45 177.32 1bxb h ALA 77 N 1.01 1.29 -0.44 5.00 0.00 -1.26 0.76 119.26 125.61 1bxb h ALA 77 Ca 0.10 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1bxb h ALA 77 Cb 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1bxb h ALA 77 CO -0.01 0.54 -0.02 -0.07 0.00 0.00 0.00 179.25 179.68 1bxb h LEU 78 N 0.90 0.78 0.09 0.00 3.38 -1.18 -0.40 115.31 118.89 1bxb h LEU 78 Ca 0.22 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1bxb h LEU 78 Cb 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1bxb h LEU 78 CO -0.02 0.91 -0.14 0.44 0.09 0.00 0.00 178.44 179.72 1bxb h ASP 79 N 0.62 -0.37 -0.72 -0.43 3.32 -0.73 0.52 116.42 118.63 1bxb h ASP 79 Ca 0.12 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.28 1bxb h ASP 79 Cb 0.53 0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 1bxb h ASP 79 CO 0.03 -0.20 0.41 -0.33 -1.72 0.00 0.00 179.24 177.43 1bxb h GLU 80 N -0.28 0.73 0.00 3.56 5.08 -0.68 -3.20 114.58 119.79 1bxb h GLU 80 Ca 0.02 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.11 1bxb h GLU 80 Cb 0.29 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1bxb h GLU 80 CO -0.07 0.48 -1.65 0.25 -1.00 0.00 0.00 179.01 177.03 1bxb n THR 81 N -4.75 1.31 -0.77 1.13 -2.24 -0.17 -4.98 114.28 103.81 1bxb n THR 81 Ca 0.10 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1bxb n THR 81 Cb 0.19 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 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 1.49 0.63 3.77 3.38 0.00 0.18 -5.03 105.19 109.60 1bxb n GLY 82 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 4.06 0.26 0.99 1.43 -1.18 -5.00 118.68 119.24 1bxb s LEU 83 Ca 0.00 2.30 0.04 0.00 -1.03 0.00 0.00 54.13 55.44 1bxb s LEU 83 Cb 0.00 -4.19 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 1bxb s LEU 83 CO 0.00 -0.84 0.40 -0.54 0.23 0.00 0.00 176.35 175.60 1bxb s LYS 84 N -2.60 3.45 -0.67 1.70 -0.14 -0.82 -4.78 119.74 115.89 1bxb s LYS 84 Ca 0.62 -0.64 -0.03 0.00 -1.36 0.00 0.00 55.97 54.56 1bxb s LYS 84 Cb -0.29 -2.84 0.17 0.00 -1.68 0.00 0.00 37.83 33.20 1bxb s LYS 84 CO 0.35 0.37 0.49 0.08 -0.76 0.00 0.00 175.35 175.88 1bxb s VAL 85 N -2.04 3.85 0.25 3.17 1.01 -1.26 -1.06 120.40 124.32 1bxb s VAL 85 Ca 0.36 -3.08 0.07 0.00 0.00 0.00 0.00 61.98 59.33 1bxb s VAL 85 Cb -0.09 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1bxb s VAL 85 CO 0.31 -0.91 1.58 -0.65 0.00 0.00 0.00 175.10 175.42 1bxb h PRO 86 N 6.90 0.13 -3.81 2.72 0.11 -1.88 -3.12 132.00 133.04 1bxb h PRO 86 Ca 0.01 -0.09 -0.24 0.00 0.11 0.00 0.00 66.00 65.79 1bxb h PRO 86 Cb 0.94 0.01 -0.28 0.00 0.11 0.00 0.00 31.00 31.78 1bxb h PRO 86 CO 0.73 0.70 -0.72 1.41 -0.21 0.00 0.00 178.00 179.91 1bxb s MET 87 N -3.68 0.07 0.19 1.05 -2.45 -1.26 -1.20 119.30 112.02 1bxb s MET 87 Ca -0.03 -0.06 0.03 0.00 -1.25 0.00 0.00 55.69 54.38 1bxb s MET 87 Cb 0.12 -0.04 -0.05 0.00 1.25 0.00 0.00 34.83 36.11 1bxb s MET 87 CO 0.78 0.01 -0.01 0.14 1.05 0.00 0.00 175.02 176.99 1bxb s VAL 88 N -0.11 0.86 -0.27 10.11 -7.23 -0.99 -2.96 120.40 119.80 1bxb s VAL 88 Ca -0.01 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 57.91 1bxb s VAL 88 Cb -0.01 -2.16 0.08 0.00 0.56 0.00 0.00 36.38 34.85 1bxb s VAL 88 CO -0.00 -0.46 0.76 0.28 -0.31 0.00 0.00 175.10 175.37 1bxb s THR 89 N -3.54 0.00 0.31 5.32 -1.32 -0.95 -1.87 115.64 113.59 1bxb s THR 89 Ca 0.25 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.44 1bxb s THR 89 Cb 0.05 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.95 1bxb s THR 89 CO 0.05 0.00 1.20 0.00 -2.21 0.00 0.00 174.62 173.66 1bxb s ALA 90 N 0.43 3.45 -0.64 11.08 0.00 -1.26 -2.77 121.76 132.05 1bxb s ALA 90 Ca -0.00 1.07 -0.27 0.00 0.00 0.00 0.00 51.96 52.75 1bxb s ALA 90 Cb -0.05 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1bxb s ALA 90 CO -0.01 -0.39 1.49 1.21 0.00 0.00 0.00 175.76 178.06 1bxb s ASN 91 N -0.70 5.90 -0.44 0.00 3.84 -1.26 -4.85 114.94 117.43 1bxb s ASN 91 Ca 0.47 0.05 0.04 0.00 0.21 0.00 0.00 52.86 53.63 1bxb s ASN 91 Cb -0.36 -2.55 0.54 0.00 -0.55 0.00 0.00 41.25 38.34 1bxb s ASN 91 CO 0.47 -1.94 1.73 0.18 -2.79 0.00 0.00 177.10 174.75 1bxb n LEU 92 N 10.38 6.01 0.00 3.21 4.77 -1.26 -4.65 117.00 135.45 1bxb n LEU 92 Ca 0.11 -3.99 0.00 0.00 -0.03 0.00 0.00 56.01 52.11 1bxb n LEU 92 Cb 0.50 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1bxb n LEU 92 CO 0.71 1.36 -0.19 2.22 -1.33 0.00 0.00 177.39 180.16 1bxb n PHE 93 N -1.03 0.00 -0.03 -1.77 -1.74 -1.26 -4.61 117.46 107.02 1bxb n PHE 93 Ca 0.51 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 57.25 1bxb n PHE 93 Cb 1.13 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 42.03 1bxb n PHE 93 CO 0.00 0.00 0.00 0.77 -0.56 0.00 0.00 176.76 176.97 1bxb h SER 94 N 0.00 0.22 -2.18 5.98 0.02 -1.97 -3.45 113.55 112.16 1bxb h SER 94 Ca 0.00 -0.70 -0.60 0.00 -0.84 0.00 0.00 61.79 59.66 1bxb h SER 94 Cb 0.36 -0.06 0.05 0.00 0.14 0.00 0.00 62.40 62.89 1bxb h SER 94 CO 0.00 0.88 0.88 -0.67 -1.14 0.00 0.00 176.83 176.78 1bxb n ASP 95 N -4.56 3.15 0.09 3.07 -0.08 -1.26 -4.86 116.55 112.11 1bxb n ASP 95 Ca -0.09 1.05 0.20 0.00 -1.51 0.00 0.00 54.79 54.44 1bxb n ASP 95 Cb 0.45 -1.40 0.75 0.00 2.34 0.00 0.00 41.12 43.26 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 6.85 0.00 -0.19 -0.67 0.11 -2.02 -0.48 132.00 135.60 1bxb h PRO 96 Ca -0.46 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.70 1bxb h PRO 96 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1bxb h PRO 96 CO 0.90 0.00 0.15 0.00 -0.21 0.00 0.00 178.00 178.85 1bxb h ALA 97 N 1.53 2.03 -0.14 -0.75 0.00 -1.96 -1.89 119.26 118.08 1bxb h ALA 97 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1bxb h ALA 97 Cb 1.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1bxb h ALA 97 CO -0.00 -0.25 0.00 1.19 0.00 0.00 0.00 179.25 180.19 1bxb n PHE 98 N -4.24 0.33 0.16 0.00 3.72 -0.19 -4.48 117.46 112.76 1bxb n PHE 98 Ca 0.02 -0.13 0.05 0.00 -0.05 0.00 0.00 57.45 57.33 1bxb n PHE 98 Cb 0.29 -0.09 0.49 0.00 -0.94 0.00 0.00 39.48 39.23 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 0.90 0.18 -1.79 -1.08 2.10 -1.52 -1.14 116.57 114.22 1bxb h LYS 99 Ca 0.00 -0.02 -0.61 0.00 -2.00 0.00 0.00 60.65 58.02 1bxb h LYS 99 Cb 0.51 -0.03 -0.41 0.00 -0.90 0.00 0.00 32.23 31.40 1bxb h LYS 99 CO 0.05 0.22 -0.56 -3.47 -2.00 0.00 0.00 179.45 173.70 1bxb n ASP 100 N -4.41 4.88 0.00 7.07 2.03 -1.26 -5.07 116.55 119.79 1bxb n ASP 100 Ca -0.01 -3.72 0.00 0.00 0.52 0.00 0.00 54.79 51.58 1bxb n ASP 100 Cb 0.17 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 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 -0.41 2.31 0.03 0.27 0.00 -0.43 -3.54 105.19 103.42 1bxb n GLY 101 Ca 0.38 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 1.74 0.18 0.30 4.61 0.00 -1.26 -3.91 120.51 122.16 1bxb n ALA 102 Ca 0.00 -0.10 0.19 0.00 0.00 0.00 0.00 53.44 53.53 1bxb n ALA 102 Cb 0.00 0.00 0.82 0.00 0.00 0.00 0.00 19.45 20.27 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 -0.25 0.00 0.04 -1.89 -3.08 116.94 111.77 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 -3.04 1.66 -1.88 -1.55 -2.24 -1.26 -4.42 114.28 101.55 1bxb n THR 104 Ca -0.00 -1.51 -0.41 0.00 -2.27 0.00 0.00 64.05 59.86 1bxb n THR 104 Cb 0.23 0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.59 6.47 0.55 3.42 0.15 -1.16 -4.74 113.70 116.80 1bxb s SER 105 Ca 0.31 2.90 0.33 0.00 0.70 0.00 0.00 55.95 60.19 1bxb s SER 105 Cb 0.22 -2.65 1.49 0.00 -1.71 0.00 0.00 66.02 63.37 1bxb s SER 105 CO 0.10 -0.80 2.04 1.55 1.20 0.00 0.00 173.24 177.33 1bxb h PRO 106 N 3.88 0.00 -5.71 5.44 0.13 -1.92 -3.43 132.00 130.39 1bxb h PRO 106 Ca -0.49 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.05 1bxb h PRO 106 Cb 1.23 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.26 1bxb h PRO 106 CO 0.71 0.05 0.34 0.34 -0.23 0.00 0.00 178.00 179.20 1bxb s ASP 107 N -5.75 6.75 0.54 1.44 -1.08 -1.26 -4.96 116.67 112.35 1bxb s ASP 107 Ca -0.01 0.93 0.32 0.00 -0.52 0.00 0.00 52.55 53.28 1bxb s ASP 107 Cb 0.10 -2.40 1.27 0.00 -1.46 0.00 0.00 42.92 40.43 1bxb s ASP 107 CO 0.54 -0.44 1.95 1.55 0.52 0.00 0.00 175.17 179.30 1bxb h PRO 108 N 7.69 0.00 -0.43 4.34 0.13 -2.00 -1.66 132.00 140.07 1bxb h PRO 108 Ca -0.26 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.83 1bxb h PRO 108 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1bxb h PRO 108 CO 0.83 0.01 0.08 -1.49 -0.23 0.00 0.00 178.00 177.21 1bxb h TRP 109 N 0.00 0.67 0.18 1.56 4.06 -1.96 0.16 115.95 120.63 1bxb h TRP 109 Ca -0.00 -0.06 -0.31 0.00 2.06 0.00 0.00 58.89 60.58 1bxb h TRP 109 Cb 0.56 -0.20 0.03 0.00 -1.00 0.00 0.00 29.16 28.55 1bxb h TRP 109 CO 0.00 0.59 -1.35 0.28 -3.56 0.00 0.00 178.44 174.40 1bxb h VAL 110 N 0.64 1.31 -0.52 1.49 2.07 -1.68 -0.40 116.25 119.16 1bxb h VAL 110 Ca 0.14 -2.64 0.01 0.00 0.82 0.00 0.00 66.70 65.04 1bxb h VAL 110 Cb 0.28 2.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 1bxb h VAL 110 CO 0.00 0.79 0.35 0.03 0.02 0.00 0.00 177.57 178.76 1bxb h ARG 111 N 0.20 0.66 -0.14 1.57 3.08 -1.31 0.11 114.38 118.54 1bxb h ARG 111 Ca -0.21 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 1bxb h ARG 111 Cb 2.04 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.93 1bxb h ARG 111 CO 0.25 0.44 0.01 0.00 -1.07 0.00 0.00 179.97 179.59 1bxb h ALA 112 N 1.68 0.19 -0.40 0.04 0.00 -0.83 -1.32 119.26 118.62 1bxb h ALA 112 Ca 0.20 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1bxb h ALA 112 Cb -0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1bxb h ALA 112 CO -0.05 -0.13 0.12 -0.92 0.00 0.00 0.00 179.25 178.28 1bxb h TYR 113 N -0.01 0.21 -0.66 0.00 3.20 -0.53 0.05 116.97 119.23 1bxb h TYR 113 Ca 0.04 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.98 1bxb h TYR 113 Cb 0.35 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 1bxb h TYR 113 CO 0.03 0.07 0.38 0.00 -1.64 0.00 0.00 178.16 177.00 1bxb h ALA 114 N 1.27 0.87 -0.44 1.82 0.00 -0.67 -0.28 119.26 121.82 1bxb h ALA 114 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1bxb h ALA 114 Cb 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1bxb h ALA 114 CO -0.21 0.09 -0.06 1.25 0.00 0.00 0.00 179.25 180.33 1bxb h LEU 115 N 0.73 0.82 0.00 0.00 5.85 -0.98 -2.28 115.31 119.46 1bxb h LEU 115 Ca 0.28 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1bxb h LEU 115 Cb 0.11 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1bxb h LEU 115 CO -0.15 0.97 -0.00 -0.09 -0.34 0.00 0.00 178.44 178.83 1bxb h ARG 116 N 0.66 -0.00 -0.81 1.25 2.43 -0.65 -0.99 114.38 116.27 1bxb h ARG 116 Ca 0.12 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.40 1bxb h ARG 116 Cb 0.58 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.08 1bxb h ARG 116 CO 0.03 0.03 0.53 -0.22 -1.51 0.00 0.00 179.97 178.84 1bxb h LYS 117 N -0.04 0.68 -0.08 0.20 3.64 -1.02 -0.91 116.57 119.03 1bxb h LYS 117 Ca -0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1bxb h LYS 117 Cb 0.04 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1bxb h LYS 117 CO 0.00 0.45 -0.04 0.77 -2.27 0.00 0.00 179.45 178.35 1bxb h SER 118 N 0.70 0.18 -0.87 4.20 0.02 -0.78 -1.98 113.55 115.02 1bxb h SER 118 Ca 0.38 -0.43 0.09 0.00 -0.84 0.00 0.00 61.79 60.99 1bxb h SER 118 Cb 0.54 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.96 1bxb h SER 118 CO -0.15 0.57 0.52 -0.07 -1.14 0.00 0.00 176.83 176.55 1bxb h LEU 119 N -0.21 0.77 -0.81 5.07 3.38 -0.56 -0.44 115.31 122.52 1bxb h LEU 119 Ca 0.02 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1bxb h LEU 119 Cb 0.50 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1bxb h LEU 119 CO 0.01 0.46 0.23 -0.33 0.09 0.00 0.00 178.44 178.90 1bxb h GLU 120 N 0.89 1.12 -0.21 1.13 5.08 -1.14 -0.82 114.58 120.63 1bxb h GLU 120 Ca 0.40 -0.23 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 1bxb h GLU 120 Cb 0.31 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1bxb h GLU 120 CO -0.22 0.95 -0.41 1.15 -1.00 0.00 0.00 179.01 179.47 1bxb h THR 121 N 1.08 1.30 -0.60 1.13 2.02 -0.92 -1.72 112.91 115.19 1bxb h THR 121 Ca 0.24 -1.58 0.03 0.00 0.77 0.00 0.00 66.41 65.87 1bxb h THR 121 Cb 0.29 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 1bxb h THR 121 CO -0.01 0.49 0.36 0.24 0.37 0.00 0.00 175.52 176.98 1bxb h MET 122 N 0.41 0.69 -0.45 6.66 2.86 -0.43 0.30 114.93 124.97 1bxb h MET 122 Ca 0.03 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1bxb h MET 122 Cb 0.90 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1bxb h MET 122 CO 0.08 0.46 0.22 -0.44 1.06 0.00 0.00 176.91 178.28 1bxb h ASP 123 N 0.71 0.58 -0.33 1.22 3.32 -1.03 -1.64 116.42 119.26 1bxb h ASP 123 Ca 0.25 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.21 1bxb h ASP 123 Cb 0.04 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1bxb h ASP 123 CO -0.11 0.54 0.12 0.25 -1.72 0.00 0.00 179.24 178.33 1bxb h LEU 124 N 0.58 0.14 -1.00 1.55 5.85 -1.02 -2.42 115.31 119.00 1bxb h LEU 124 Ca 0.15 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1bxb h LEU 124 Cb 0.11 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1bxb h LEU 124 CO -0.02 0.12 0.12 1.23 -0.34 0.00 0.00 178.44 179.55 1bxb h GLY 125 N 0.27 0.91 1.28 3.75 0.00 -0.69 -2.28 103.07 106.32 1bxb h GLY 125 Ca 0.15 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1bxb h GLY 125 CO -0.14 0.50 0.24 0.00 0.00 0.00 0.00 176.54 177.14 1bxb h ALA 126 N 1.32 1.25 -0.86 3.60 0.00 -0.93 0.12 119.26 123.77 1bxb h ALA 126 Ca 0.18 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1bxb h ALA 126 Cb 0.31 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1bxb h ALA 126 CO 0.00 0.55 0.54 0.93 0.00 0.00 0.00 179.25 181.27 1bxb h GLU 127 N 0.90 1.01 0.00 0.00 5.08 -0.95 -2.97 114.58 117.65 1bxb h GLU 127 Ca 0.21 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1bxb h GLU 127 Cb 0.19 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1bxb h GLU 127 CO -0.02 0.67 -0.37 1.28 -1.00 0.00 0.00 179.01 179.57 1bxb n LEU 128 N -4.57 0.40 0.00 1.33 4.77 -0.49 -4.95 117.00 113.49 1bxb n LEU 128 Ca 0.11 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1bxb n LEU 128 Cb 0.12 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1bxb n LEU 128 CO 0.33 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1bxb n GLY 129 N 1.48 0.81 3.76 -0.72 0.00 0.24 -4.47 105.19 106.30 1bxb n GLY 129 Ca 0.06 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 3.16 -0.03 4.61 0.00 -0.09 -4.82 121.76 122.59 1bxb s ALA 130 Ca 0.00 1.31 0.03 0.00 0.00 0.00 0.00 51.96 53.30 1bxb s ALA 130 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1bxb s ALA 130 CO 0.00 -1.03 0.08 -0.85 0.00 0.00 0.00 175.76 173.96 1bxb n GLU 131 N -0.23 0.93 -5.09 0.00 0.28 -0.35 -4.68 120.64 111.50 1bxb n GLU 131 Ca 0.06 -0.03 -0.32 0.00 -0.16 0.00 0.00 57.16 56.71 1bxb n GLU 131 Cb 0.43 -1.02 -0.15 0.00 1.43 0.00 0.00 31.44 32.14 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 -2.10 2.57 -0.17 3.84 1.01 -0.34 -1.84 121.20 124.17 1bxb s ILE 132 Ca -0.01 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.74 1bxb s ILE 132 Cb 0.02 -1.96 0.02 0.00 0.01 0.00 0.00 42.46 40.55 1bxb s ILE 132 CO 0.14 0.59 -0.19 -0.47 0.00 0.00 0.00 174.94 175.01 1bxb s TYR 133 N -0.66 2.63 -0.13 3.97 6.14 -0.52 -2.34 117.35 126.43 1bxb s TYR 133 Ca 0.11 -1.53 -0.09 0.00 0.64 0.00 0.00 57.07 56.19 1bxb s TYR 133 Cb -0.10 -1.84 -0.05 0.00 0.42 0.00 0.00 41.96 40.40 1bxb s TYR 133 CO -0.00 -0.77 0.19 0.08 0.64 0.00 0.00 175.55 175.69 1bxb s VAL 134 N 1.31 5.41 -0.30 3.14 1.01 -0.78 -0.78 120.40 129.40 1bxb s VAL 134 Ca 0.04 0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 1bxb s VAL 134 Cb -0.13 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.81 1bxb s VAL 134 CO -0.12 0.54 0.01 -0.69 0.00 0.00 0.00 175.10 174.85 1bxb s VAL 135 N -0.51 3.16 -0.31 2.92 1.01 -0.84 -4.48 120.40 121.35 1bxb s VAL 135 Ca 0.14 -1.27 -0.11 0.00 0.00 0.00 0.00 61.98 60.75 1bxb s VAL 135 Cb -0.12 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1bxb s VAL 135 CO 0.04 -0.08 0.18 0.86 0.00 0.00 0.00 175.10 176.10 1bxb s TRP 136 N 1.30 3.20 -1.37 5.22 -0.00 -1.26 -1.05 118.94 124.97 1bxb s TRP 136 Ca -0.04 -0.31 -0.06 0.00 -0.00 0.00 0.00 56.10 55.69 1bxb s TRP 136 Cb -0.19 -2.39 0.09 0.00 -0.00 0.00 0.00 33.47 30.97 1bxb s TRP 136 CO -0.01 -0.36 2.47 -0.35 -0.00 0.00 0.00 176.95 178.70 1bxb n PRO 137 N 5.03 4.45 0.25 5.86 -0.04 -1.26 -4.70 135.00 144.60 1bxb n PRO 137 Ca -0.14 -3.27 0.12 0.00 -0.04 0.00 0.00 63.50 60.18 1bxb n PRO 137 Cb 0.50 -2.66 0.66 0.00 -0.04 0.00 0.00 33.50 31.96 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 5.83 0.00 -0.70 0.55 0.00 -1.93 -1.15 103.07 105.67 1bxb h GLY 138 Ca 0.73 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.06 1bxb h GLY 138 CO 1.53 0.00 -0.36 -2.13 0.00 0.00 0.00 176.54 175.58 1bxb n ARG 139 N -3.61 1.68 -2.90 4.80 3.00 -1.26 -3.93 116.66 114.44 1bxb n ARG 139 Ca -0.01 -0.77 -0.44 0.00 -0.00 0.00 0.00 57.85 56.63 1bxb n ARG 139 Cb 0.28 -1.28 -0.01 0.00 0.00 0.00 0.00 32.46 31.46 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 -1.94 3.91 0.00 -0.14 0.41 -0.44 -3.10 118.70 117.41 1bxb s GLU 140 Ca 0.13 -2.24 0.00 0.00 -0.41 0.00 0.00 54.97 52.45 1bxb s GLU 140 Cb 0.13 -5.06 0.00 0.00 -1.78 0.00 0.00 34.13 27.42 1bxb s GLU 140 CO 0.42 -1.82 0.00 0.41 -0.49 0.00 0.00 175.26 173.78 1bxb n GLY 141 N 4.73 2.07 3.33 -1.39 0.00 -1.26 -1.26 105.19 111.41 1bxb n GLY 141 Ca 0.33 -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 -1.05 0.00 4.61 0.00 -0.50 -4.86 121.76 118.96 1bxb s ALA 142 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1bxb s ALA 142 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1bxb s ALA 142 CO 0.00 -0.42 0.30 -0.85 0.00 0.00 0.00 175.76 174.79 1bxb n GLU 143 N 0.66 0.31 -3.86 0.00 0.00 -1.26 -2.62 120.64 113.86 1bxb n GLU 143 Ca -0.19 -0.30 -0.30 0.00 0.00 0.00 0.00 57.16 56.37 1bxb n GLU 143 Cb 0.59 -0.78 -0.15 0.00 0.00 0.00 0.00 31.44 31.10 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 -0.13 1.34 -1.16 3.84 1.01 -1.26 -4.96 120.40 119.08 1bxb s VAL 144 Ca 0.00 -1.41 0.28 0.00 0.00 0.00 0.00 61.98 60.85 1bxb s VAL 144 Cb 0.00 -1.83 0.25 0.00 0.00 0.00 0.00 36.38 34.80 1bxb s VAL 144 CO 0.00 -0.39 1.81 1.21 0.00 0.00 0.00 175.10 177.72 1bxb n GLU 145 N 4.69 0.16 0.19 2.72 4.07 -1.26 -3.90 120.64 127.32 1bxb n GLU 145 Ca -0.05 -0.04 0.14 0.00 -0.06 0.00 0.00 57.16 57.14 1bxb n GLU 145 Cb 0.43 -1.50 0.63 0.00 -0.06 0.00 0.00 31.44 30.95 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 3.15 1.00 0.00 4.31 0.00 -2.05 -1.96 119.26 123.71 1bxb h ALA 146 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1bxb h ALA 146 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1bxb h ALA 146 CO 0.00 0.00 -0.40 1.79 0.00 0.00 0.00 179.25 180.64 1bxb h THR 147 N 0.00 1.14 -0.04 0.00 1.35 -2.03 -3.47 112.91 109.86 1bxb h THR 147 Ca 0.00 -1.43 -0.02 0.00 -0.55 0.00 0.00 66.41 64.41 1bxb h THR 147 Cb 0.27 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 1bxb h THR 147 CO 0.00 0.39 -0.02 0.61 -0.25 0.00 0.00 175.52 176.25 1bxb n GLY 148 N -0.17 0.49 0.26 5.82 0.00 -0.74 -4.92 105.19 105.92 1bxb n GLY 148 Ca -0.01 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 0.43 0.00 -0.04 1.61 3.64 -1.90 -2.93 116.57 117.37 1bxb h LYS 149 Ca -0.02 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1bxb h LYS 149 Cb 0.10 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1bxb h LYS 149 CO 0.03 0.09 0.07 0.00 -2.27 0.00 0.00 179.45 177.37 1bxb h ALA 150 N 1.91 1.41 0.00 5.00 0.00 -1.91 0.23 119.26 125.90 1bxb h ALA 150 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bxb h ALA 150 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1bxb h ALA 150 CO 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.17 1bxb h ARG 151 N 0.00 0.00 0.00 0.00 2.47 -1.94 -3.36 114.38 111.56 1bxb h ARG 151 Ca 0.02 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.65 1bxb h ARG 151 Cb 0.16 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 1bxb h ARG 151 CO -0.00 0.00 -1.91 1.63 0.56 0.00 0.00 179.97 180.25 1bxb n LYS 152 N -2.75 0.76 0.22 0.04 5.02 0.05 -4.61 118.16 116.90 1bxb n LYS 152 Ca 0.04 -0.12 0.09 0.00 -2.02 0.00 0.00 58.31 56.30 1bxb n LYS 152 Cb 0.43 -1.42 0.49 0.00 -0.02 0.00 0.00 35.03 34.50 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 0.64 -0.30 -0.18 -1.51 -1.64 -3.03 116.25 110.23 1bxb h VAL 153 Ca -0.13 -1.08 -0.08 0.00 -1.23 0.00 0.00 66.70 64.18 1bxb h VAL 153 Cb 1.17 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 32.03 1bxb h VAL 153 CO 0.01 0.23 -0.12 -0.50 -1.23 0.00 0.00 177.57 175.96 1bxb h TRP 154 N 0.00 0.70 -0.58 5.19 4.06 -1.82 -1.20 115.95 122.30 1bxb h TRP 154 Ca -0.00 -0.17 -0.09 0.00 2.06 0.00 0.00 58.89 60.69 1bxb h TRP 154 Cb 0.69 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.66 1bxb h TRP 154 CO 0.00 0.83 -0.00 -0.44 -3.56 0.00 0.00 178.44 175.27 1bxb h ASP 155 N 0.37 0.99 -0.27 -3.49 3.32 -1.85 -1.39 116.42 114.09 1bxb h ASP 155 Ca 0.07 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 1bxb h ASP 155 Cb 0.63 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1bxb h ASP 155 CO 0.04 1.04 0.05 -0.50 -1.72 0.00 0.00 179.24 178.15 1bxb h TRP 156 N 0.93 0.48 0.00 4.55 6.55 -1.40 -0.76 115.95 126.29 1bxb h TRP 156 Ca 0.17 -0.06 -0.10 0.00 0.95 0.00 0.00 58.89 59.85 1bxb h TRP 156 Cb 0.54 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.70 1bxb h TRP 156 CO 0.04 0.55 -0.46 -0.24 -1.05 0.00 0.00 178.44 177.27 1bxb h VAL 157 N 0.27 0.94 -0.08 1.49 3.04 -1.19 -2.49 116.25 118.21 1bxb h VAL 157 Ca 0.08 -1.88 -0.00 0.00 -1.01 0.00 0.00 66.70 63.89 1bxb h VAL 157 Cb 0.32 2.15 -0.00 0.00 -2.01 0.00 0.00 31.29 31.75 1bxb h VAL 157 CO 0.00 0.45 0.04 -0.09 -1.01 0.00 0.00 177.57 176.97 1bxb h ARG 158 N 0.00 0.12 -0.69 4.17 2.43 -1.07 -2.19 114.38 117.15 1bxb h ARG 158 Ca -0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1bxb h ARG 158 Cb 1.12 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.60 1bxb h ARG 158 CO 0.06 0.17 0.43 1.49 -1.51 0.00 0.00 179.97 180.61 1bxb h GLU 159 N 0.03 0.80 -0.10 0.20 4.81 -0.98 -0.54 114.58 118.80 1bxb h GLU 159 Ca 0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1bxb h GLU 159 Cb 0.09 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1bxb h GLU 159 CO -0.00 0.53 0.04 0.00 -0.73 0.00 0.00 179.01 178.85 1bxb h ALA 160 N 1.31 0.13 -0.11 2.92 0.00 -1.40 -2.12 119.26 119.99 1bxb h ALA 160 Ca 0.28 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1bxb h ALA 160 Cb 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1bxb h ALA 160 CO -0.12 -0.27 -0.59 -0.07 0.00 0.00 0.00 179.25 178.20 1bxb h LEU 161 N -0.00 0.40 -0.79 0.00 3.38 -1.22 -0.55 115.31 116.53 1bxb h LEU 161 Ca 0.03 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1bxb h LEU 161 Cb 0.18 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1bxb h LEU 161 CO -0.00 0.89 0.05 0.78 0.09 0.00 0.00 178.44 180.25 1bxb h ASN 162 N 0.27 0.93 -0.54 -0.43 2.35 -1.12 -1.56 115.58 115.48 1bxb h ASN 162 Ca -0.00 -0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.42 1bxb h ASN 162 Cb 1.10 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 1bxb h ASN 162 CO 0.10 0.96 -0.05 0.15 -1.65 0.00 0.00 177.43 176.94 1bxb h PHE 163 N 0.90 1.09 -0.52 1.19 3.04 -0.73 -1.22 116.94 120.70 1bxb h PHE 163 Ca 0.17 -0.21 -0.10 0.00 3.98 0.00 0.00 57.97 61.82 1bxb h PHE 163 Cb 0.46 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 1bxb h PHE 163 CO 0.03 1.00 -0.05 0.52 -2.02 0.00 0.00 178.31 177.79 1bxb h MET 164 N 0.87 0.95 -0.30 1.11 2.86 -0.95 -0.24 114.93 119.22 1bxb h MET 164 Ca 0.15 -0.33 -0.16 0.00 -2.06 0.00 0.00 59.70 57.30 1bxb h MET 164 Cb 0.60 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1bxb h MET 164 CO 0.04 0.99 -0.45 0.00 1.06 0.00 0.00 176.91 178.55 1bxb h ALA 165 N 0.92 0.63 -0.52 6.32 0.00 -1.15 -1.97 119.26 123.49 1bxb h ALA 165 Ca 0.14 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1bxb h ALA 165 Cb 0.60 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1bxb h ALA 165 CO 0.04 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.95 1bxb h ALA 166 N 0.85 1.00 -0.45 0.00 0.00 -1.07 -2.01 119.26 117.59 1bxb h ALA 166 Ca 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1bxb h ALA 166 Cb 1.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1bxb h ALA 166 CO 0.10 0.61 0.25 -0.92 0.00 0.00 0.00 179.25 179.29 1bxb h TYR 167 N 0.82 0.62 -0.66 0.00 3.20 -0.95 -0.23 116.97 119.78 1bxb h TYR 167 Ca 0.15 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1bxb h TYR 167 Cb 0.50 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 1bxb h TYR 167 CO 0.03 0.47 0.18 0.00 -1.64 0.00 0.00 178.16 177.19 1bxb h ALA 168 N 1.10 1.06 -0.10 1.82 0.00 -1.22 -0.33 119.26 121.58 1bxb h ALA 168 Ca 0.16 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1bxb h ALA 168 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1bxb h ALA 168 CO -0.03 0.62 0.04 1.49 0.00 0.00 0.00 179.25 181.38 1bxb h GLU 169 N 0.99 0.09 -0.54 0.00 4.81 -0.98 -0.37 114.58 118.59 1bxb h GLU 169 Ca 0.21 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 1bxb h GLU 169 Cb 0.33 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1bxb h GLU 169 CO -0.00 0.06 0.17 0.22 -0.73 0.00 0.00 179.01 178.73 1bxb h ASP 170 N 0.10 0.74 1.35 1.04 3.58 -0.70 -2.20 116.42 120.32 1bxb h ASP 170 Ca 0.04 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1bxb h ASP 170 Cb 0.02 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.88 1bxb h ASP 170 CO -0.04 0.70 -0.19 1.56 -2.88 0.00 0.00 179.24 178.38 1bxb h GLN 171 N 0.78 0.00 0.00 0.28 1.08 -0.89 -3.48 115.11 112.88 1bxb h GLN 171 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1bxb h GLN 171 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1bxb h GLN 171 CO -0.01 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.28 1bxb n GLY 172 N 1.29 0.49 3.76 3.46 0.00 -0.53 -5.03 105.19 108.63 1bxb n GLY 172 Ca 0.05 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 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 3.61 -0.38 1.61 2.02 -0.26 -4.97 117.35 116.99 1bxb s TYR 173 Ca 0.00 1.73 0.05 0.00 -0.37 0.00 0.00 57.07 58.49 1bxb s TYR 173 Cb 0.00 -3.21 0.60 0.00 -0.40 0.00 0.00 41.96 38.95 1bxb s TYR 173 CO 0.00 -0.37 1.73 0.41 -1.57 0.00 0.00 175.55 175.75 1bxb n GLY 174 N 1.13 3.80 3.77 0.71 0.00 -1.26 -4.53 105.19 108.80 1bxb n GLY 174 Ca -0.00 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.73 2.78 -0.16 1.61 2.02 -1.26 -4.93 117.35 114.68 1bxb s TYR 175 Ca 0.48 1.10 -0.08 0.00 -0.37 0.00 0.00 57.07 58.20 1bxb s TYR 175 Cb 0.39 -3.94 -0.04 0.00 -0.40 0.00 0.00 41.96 37.97 1bxb s TYR 175 CO 0.10 -2.87 0.11 1.03 -1.57 0.00 0.00 175.55 172.36 1bxb s ARG 176 N -1.40 3.84 -0.17 -0.62 0.52 -0.77 -4.98 118.95 115.37 1bxb s ARG 176 Ca 0.55 -0.22 -0.18 0.00 -0.52 0.00 0.00 55.73 55.37 1bxb s ARG 176 Cb -0.45 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 31.71 1bxb s ARG 176 CO 0.55 0.48 0.48 -0.06 0.02 0.00 0.00 175.30 176.76 1bxb s PHE 177 N -0.17 3.42 -0.29 -0.53 0.40 0.79 -1.43 117.98 120.17 1bxb s PHE 177 Ca 0.10 0.77 -0.01 0.00 -0.60 0.00 0.00 56.93 57.19 1bxb s PHE 177 Cb -0.12 -2.60 0.05 0.00 0.51 0.00 0.00 43.02 40.86 1bxb s PHE 177 CO 0.01 0.01 -0.02 0.00 0.70 0.00 0.00 175.22 175.91 1bxb s ALA 178 N 1.24 2.78 -0.02 5.36 0.00 0.04 0.34 121.76 131.50 1bxb s ALA 178 Ca 0.23 -1.72 -0.24 0.00 0.00 0.00 0.00 51.96 50.24 1bxb s ALA 178 Cb -0.15 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1bxb s ALA 178 CO 0.09 -1.20 0.73 -0.51 0.00 0.00 0.00 175.76 174.87 1bxb s LEU 179 N 1.25 4.37 -0.38 0.00 1.02 -0.19 -1.98 118.68 122.78 1bxb s LEU 179 Ca -0.05 1.30 -0.02 0.00 0.02 0.00 0.00 54.13 55.39 1bxb s LEU 179 Cb -0.19 -3.15 0.10 0.00 0.02 0.00 0.00 46.19 42.97 1bxb s LEU 179 CO -0.02 -0.06 0.15 -0.70 0.02 0.00 0.00 176.35 175.74 1bxb s GLU 180 N 0.44 1.98 0.50 1.70 2.12 -0.21 -0.01 118.70 125.21 1bxb s GLU 180 Ca 0.38 -1.74 -0.15 0.00 0.36 0.00 0.00 54.97 53.82 1bxb s GLU 180 Cb -0.19 -3.46 -0.07 0.00 0.26 0.00 0.00 34.13 30.66 1bxb s GLU 180 CO 0.20 -0.98 0.94 -1.25 -0.54 0.00 0.00 175.26 173.63 1bxb s PRO 181 N 1.12 3.88 -0.18 4.30 0.04 -1.26 -4.15 135.00 138.75 1bxb s PRO 181 Ca 0.07 0.82 -0.16 0.00 0.04 0.00 0.00 61.00 61.77 1bxb s PRO 181 Cb -0.22 -2.19 0.05 0.00 0.04 0.00 0.00 34.50 32.18 1bxb s PRO 181 CO -0.04 -0.23 0.47 0.21 0.04 0.00 0.00 177.00 177.45 1bxb s LYS 182 N -4.09 0.55 0.09 4.56 2.20 -1.18 -4.71 119.74 117.16 1bxb s LYS 182 Ca 0.57 0.66 -0.09 0.00 -0.36 0.00 0.00 55.97 56.75 1bxb s LYS 182 Cb -0.10 0.26 -0.21 0.00 -1.51 0.00 0.00 37.83 36.27 1bxb s LYS 182 CO 0.33 -0.07 1.19 -1.00 -0.36 0.00 0.00 175.35 175.44 1bxb h PRO 183 N 5.43 0.48 -3.44 4.03 0.13 -1.77 -3.37 132.00 133.50 1bxb h PRO 183 Ca -0.27 -0.61 -0.05 0.00 -0.87 0.00 0.00 66.00 64.19 1bxb h PRO 183 Cb 1.18 0.20 -0.06 0.00 0.13 0.00 0.00 31.00 32.44 1bxb h PRO 183 CO 0.21 1.25 0.02 0.54 -0.23 0.00 0.00 178.00 179.79 1bxb s ASN 184 N -7.24 0.01 -0.00 1.44 4.22 -1.26 -0.86 114.94 111.25 1bxb s ASN 184 Ca -0.07 -0.96 -0.00 0.00 -2.14 0.00 0.00 52.86 49.69 1bxb s ASN 184 Cb 0.07 0.68 0.00 0.00 1.28 0.00 0.00 41.25 43.28 1bxb s ASN 184 CO 0.90 -1.30 0.01 1.21 -2.04 0.00 0.00 177.10 175.87 1bxb n GLU 185 N -0.45 -0.64 0.10 3.55 2.13 -1.26 -4.82 120.64 119.25 1bxb n GLU 185 Ca -0.03 0.91 0.12 0.00 0.66 0.00 0.00 57.16 58.82 1bxb n GLU 185 Cb 0.61 -1.13 0.24 0.00 0.27 0.00 0.00 31.44 31.43 1bxb n GLU 185 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1bxb h PRO 186 N 0.53 0.00 -7.00 5.31 0.13 -1.98 -3.49 132.00 125.50 1bxb h PRO 186 Ca -0.02 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.64 1bxb h PRO 186 Cb 0.03 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.18 1bxb h PRO 186 CO 0.00 0.00 0.39 1.03 -0.23 0.00 0.00 178.00 179.19 1bxb s ARG 187 N -3.17 4.08 0.19 0.86 1.81 -1.26 -4.98 118.95 116.49 1bxb s ARG 187 Ca 0.07 1.41 -0.19 0.00 -1.72 0.00 0.00 55.73 55.31 1bxb s ARG 187 Cb 0.11 -2.37 0.14 0.00 -0.45 0.00 0.00 34.95 32.38 1bxb s ARG 187 CO 0.67 -0.20 1.61 0.78 -0.68 0.00 0.00 175.30 177.49 1bxb h GLY 188 N 2.17 0.08 -5.39 -3.53 0.00 -1.95 -3.41 103.07 91.04 1bxb h GLY 188 Ca -0.49 0.32 -0.41 0.00 0.00 0.00 0.00 47.33 46.76 1bxb h GLY 188 CO 0.61 -0.22 -0.78 0.99 0.00 0.00 0.00 176.54 177.14 1bxb s ASP 189 N -5.16 1.11 -0.13 0.19 1.01 -1.08 -4.57 116.67 108.05 1bxb s ASP 189 Ca -0.14 -0.17 -0.14 0.00 0.71 0.00 0.00 52.55 52.81 1bxb s ASP 189 Cb 0.16 -0.21 -0.05 0.00 1.01 0.00 0.00 42.92 43.84 1bxb s ASP 189 CO 0.70 0.09 0.32 -0.63 0.21 0.00 0.00 175.17 175.86 1bxb s ILE 190 N -0.01 5.27 0.22 0.77 1.01 -0.04 -1.41 121.20 127.02 1bxb s ILE 190 Ca 0.00 0.60 -0.08 0.00 0.00 0.00 0.00 60.65 61.18 1bxb s ILE 190 Cb -0.06 -3.64 0.17 0.00 0.01 0.00 0.00 42.46 38.93 1bxb s ILE 190 CO -0.00 0.42 1.80 1.88 0.00 0.00 0.00 174.94 179.05 1bxb h TYR 191 N 6.30 0.71 -2.54 3.97 0.05 -1.49 -3.28 116.97 120.69 1bxb h TYR 191 Ca -0.44 0.03 -0.77 0.00 0.05 0.00 0.00 58.73 57.60 1bxb h TYR 191 Cb 1.18 -0.21 -0.22 0.00 1.01 0.00 0.00 36.73 38.49 1bxb h TYR 191 CO 0.63 0.31 1.13 1.19 -1.05 0.00 0.00 178.16 180.37 1bxb n PHE 192 N -4.79 4.42 0.12 4.88 3.72 -1.26 -4.86 117.46 119.69 1bxb n PHE 192 Ca 0.10 -3.34 0.07 0.00 -0.05 0.00 0.00 57.45 54.23 1bxb n PHE 192 Cb 0.22 -1.90 0.03 0.00 -0.94 0.00 0.00 39.48 36.89 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 6.55 0.69 -2.24 4.37 0.00 -1.72 -3.11 119.26 123.81 1bxb h ALA 193 Ca 0.28 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1bxb h ALA 193 Cb 0.80 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.49 1bxb h ALA 193 CO 1.25 0.32 -0.69 0.95 0.00 0.00 0.00 179.25 181.09 1bxb s THR 194 N -3.15 0.38 0.25 0.00 -4.23 -1.26 -2.97 115.64 104.66 1bxb s THR 194 Ca 0.02 -1.85 -0.03 0.00 -1.18 0.00 0.00 61.69 58.64 1bxb s THR 194 Cb 0.08 -1.59 0.22 0.00 1.34 0.00 0.00 72.50 72.56 1bxb s THR 194 CO 0.76 -0.95 1.74 0.58 -0.54 0.00 0.00 174.62 176.20 1bxb h VAL 195 N 3.08 0.67 -0.76 2.29 2.07 -1.92 -2.12 116.25 119.56 1bxb h VAL 195 Ca -0.34 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 1bxb h VAL 195 Cb 1.15 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1bxb h VAL 195 CO 0.65 0.09 0.26 1.23 0.02 0.00 0.00 177.57 179.82 1bxb h GLY 196 N 0.48 1.26 0.83 2.17 0.00 -1.96 -0.84 103.07 105.01 1bxb h GLY 196 Ca 0.43 -0.73 0.04 0.00 0.00 0.00 0.00 47.33 47.08 1bxb h GLY 196 CO -0.40 0.68 0.63 0.23 0.00 0.00 0.00 176.54 177.68 1bxb h SER 197 N 1.13 1.04 -0.23 0.19 0.87 -1.79 -1.10 113.55 113.66 1bxb h SER 197 Ca 0.25 -0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.65 1bxb h SER 197 Cb 0.28 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1bxb h SER 197 CO -0.01 0.69 -0.46 0.24 -0.53 0.00 0.00 176.83 176.76 1bxb h MET 198 N 1.20 0.71 -0.65 2.24 0.00 -0.97 -2.68 114.93 114.78 1bxb h MET 198 Ca 0.40 -0.46 0.06 0.00 0.00 0.00 0.00 59.70 59.69 1bxb h MET 198 Cb 0.05 0.06 -0.05 0.00 0.00 0.00 0.00 31.60 31.66 1bxb h MET 198 CO -0.14 1.09 0.35 -0.07 0.00 0.00 0.00 176.91 178.14 1bxb h LEU 199 N 0.43 0.52 -0.65 1.22 3.38 -0.96 -1.35 115.31 117.90 1bxb h LEU 199 Ca 0.01 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1bxb h LEU 199 Cb 1.07 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1bxb h LEU 199 CO 0.10 0.34 0.18 0.00 0.09 0.00 0.00 178.44 179.16 1bxb h ALA 200 N 1.34 0.86 -0.16 1.53 0.00 -1.22 -2.93 119.26 118.67 1bxb h ALA 200 Ca 0.29 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1bxb h ALA 200 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1bxb h ALA 200 CO -0.18 0.55 0.10 0.35 0.00 0.00 0.00 179.25 180.07 1bxb h PHE 201 N 0.95 0.18 -0.71 0.00 3.57 -1.25 -3.11 116.94 116.58 1bxb h PHE 201 Ca 0.21 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.84 1bxb h PHE 201 Cb 0.33 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 1bxb h PHE 201 CO 0.02 0.11 0.47 0.82 -2.23 0.00 0.00 178.31 177.50 1bxb h ILE 202 N 0.20 0.86 0.00 1.41 2.04 -1.06 -0.24 117.51 120.72 1bxb h ILE 202 Ca 0.06 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1bxb h ILE 202 Cb -0.01 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1bxb h ILE 202 CO -0.03 0.09 0.00 1.41 0.00 0.00 0.00 178.15 179.62 1bxb n HIS 203 N -4.48 0.71 1.16 1.37 8.25 -1.17 -1.78 115.22 119.27 1bxb n HIS 203 Ca 0.13 0.29 0.12 0.00 -0.26 0.00 0.00 57.72 58.00 1bxb n HIS 203 Cb 0.44 -0.97 0.23 0.00 1.12 0.00 0.00 29.99 30.81 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 -2.16 0.00 -1.94 1.59 -2.24 -0.10 -4.94 114.28 104.48 1bxb n THR 204 Ca 0.02 -0.20 -0.30 0.00 -2.27 0.00 0.00 64.05 61.30 1bxb n THR 204 Cb 0.20 0.78 0.04 0.00 -2.10 0.00 0.00 70.33 69.25 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 -2.44 2.97 0.13 3.22 1.43 -0.73 -5.00 118.68 118.26 1bxb s LEU 205 Ca 0.23 1.11 -0.09 0.00 -1.03 0.00 0.00 54.13 54.35 1bxb s LEU 205 Cb 0.19 -3.93 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 1bxb s LEU 205 CO 0.52 -1.27 1.38 0.44 0.23 0.00 0.00 176.35 177.66 1bxb h ASP 206 N -0.57 0.84 -2.58 2.29 3.32 -1.92 -3.35 116.42 114.45 1bxb h ASP 206 Ca -0.45 -0.51 -0.61 0.00 0.02 0.00 0.00 57.03 55.49 1bxb h ASP 206 Cb 1.25 -0.25 -0.42 0.00 0.22 0.00 0.00 39.33 40.14 1bxb h ASP 206 CO 0.63 1.28 -0.62 0.54 -1.72 0.00 0.00 179.24 179.36 1bxb n ARG 207 N -3.94 2.07 0.28 3.56 5.12 -1.26 -4.95 116.66 117.54 1bxb n ARG 207 Ca -0.05 -4.48 0.14 0.00 -1.93 0.00 0.00 57.85 51.53 1bxb n ARG 207 Cb 0.69 -2.21 0.84 0.00 -1.16 0.00 0.00 32.46 30.62 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 4.74 0.00 0.00 5.56 0.11 -1.80 -2.13 132.00 138.48 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 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1bxb h PRO 208 CO 0.75 0.06 0.00 1.05 -0.21 0.00 0.00 178.00 179.65 1bxb h GLU 209 N 0.00 0.00 -0.00 1.05 9.09 -1.92 -1.82 114.58 120.98 1bxb h GLU 209 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1bxb h GLU 209 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 1bxb h GLU 209 CO 0.01 0.00 -0.25 0.54 0.05 0.00 0.00 179.01 179.36 1bxb n ARG 210 N -2.50 0.24 -4.93 1.06 5.12 -0.80 -4.89 116.66 109.96 1bxb n ARG 210 Ca 0.02 -0.10 -0.33 0.00 -1.93 0.00 0.00 57.85 55.52 1bxb n ARG 210 Cb 0.30 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 29.96 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 -2.83 2.67 0.00 -1.55 0.40 -0.68 -0.15 117.98 115.84 1bxb s PHE 211 Ca 0.17 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 1bxb s PHE 211 Cb 0.19 -1.63 0.00 0.00 0.51 0.00 0.00 43.02 42.09 1bxb s PHE 211 CO 0.58 0.14 0.00 0.41 0.70 0.00 0.00 175.22 177.05 1bxb n GLY 212 N 2.41 4.03 3.41 4.36 0.00 0.15 -4.95 105.19 114.60 1bxb n GLY 212 Ca -0.17 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 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 2.43 -0.65 0.99 1.43 0.18 -1.02 118.68 122.04 1bxb s LEU 213 Ca 0.00 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.58 1bxb s LEU 213 Cb 0.00 -1.39 0.17 0.00 0.03 0.00 0.00 46.19 45.00 1bxb s LEU 213 CO 0.00 0.23 0.46 0.21 0.23 0.00 0.00 176.35 177.48 1bxb s ASN 214 N -1.63 4.21 0.36 2.29 2.47 0.99 -2.08 114.94 121.55 1bxb s ASN 214 Ca 0.14 -3.68 -0.27 0.00 0.42 0.00 0.00 52.86 49.48 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 -0.11 1.18 -2.84 -3.72 0.00 0.00 177.10 171.67 1bxb s PRO 215 N -1.14 4.24 -0.13 0.43 0.02 -1.26 -4.17 135.00 132.99 1bxb s PRO 215 Ca 0.26 1.91 0.01 0.00 0.02 0.00 0.00 61.00 63.19 1bxb s PRO 215 Cb -0.04 -2.86 -0.01 0.00 0.02 0.00 0.00 34.50 31.61 1bxb s PRO 215 CO -0.16 -0.18 -0.15 -2.00 -0.33 0.00 0.00 177.00 174.17 1bxb s GLU 216 N -2.03 3.30 0.21 5.54 2.12 -1.26 -0.90 118.70 125.68 1bxb s GLU 216 Ca 0.53 -0.73 -0.16 0.00 0.36 0.00 0.00 54.97 54.96 1bxb s GLU 216 Cb -0.33 -2.57 0.21 0.00 0.26 0.00 0.00 34.13 31.71 1bxb s GLU 216 CO 0.42 0.18 1.60 0.35 -0.54 0.00 0.00 175.26 177.27 1bxb h PHE 217 N 6.78 -0.66 -0.35 5.30 3.04 -1.58 -1.77 116.94 127.71 1bxb h PHE 217 Ca -0.25 0.07 -0.06 0.00 3.98 0.00 0.00 57.97 61.71 1bxb h PHE 217 Cb 1.22 0.39 -0.02 0.00 2.56 0.00 0.00 35.95 40.10 1bxb h PHE 217 CO 0.50 -0.35 -0.04 0.00 -2.02 0.00 0.00 178.31 176.40 1bxb h ALA 218 N 1.37 1.28 0.36 2.41 0.00 -1.84 -2.52 119.26 120.32 1bxb h ALA 218 Ca 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1bxb h ALA 218 Cb 0.54 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1bxb h ALA 218 CO -0.72 0.48 -0.17 0.45 0.00 0.00 0.00 179.25 179.29 1bxb h HIS 219 N 0.53 -0.45 -0.83 0.00 3.86 -1.66 0.87 115.15 117.48 1bxb h HIS 219 Ca 0.11 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1bxb h HIS 219 Cb 0.40 0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.98 1bxb h HIS 219 CO 0.01 -0.23 0.42 0.93 0.86 0.00 0.00 177.93 179.93 1bxb h GLU 220 N -0.57 1.17 0.00 2.45 3.07 -1.50 -2.61 114.58 116.59 1bxb h GLU 220 Ca -0.05 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.58 1bxb h GLU 220 Cb 0.43 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1bxb h GLU 220 CO 0.08 0.89 -0.34 1.15 -1.40 0.00 0.00 179.01 179.39 1bxb h THR 221 N 1.16 1.15 -0.76 1.13 2.02 -1.33 -1.50 112.91 114.77 1bxb h THR 221 Ca 0.29 -1.20 0.10 0.00 0.77 0.00 0.00 66.41 66.37 1bxb h THR 221 Cb 0.08 1.67 -0.08 0.00 -1.74 0.00 0.00 68.15 68.08 1bxb h THR 221 CO -0.04 0.33 0.39 0.24 0.37 0.00 0.00 175.52 176.81 1bxb h MET 222 N 0.00 0.62 -0.01 6.66 2.86 -0.42 -0.07 114.93 124.57 1bxb h MET 222 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1bxb h MET 222 Cb 0.64 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1bxb h MET 222 CO 0.04 0.41 0.00 0.00 1.06 0.00 0.00 176.91 178.43 1bxb n ALA 223 N -2.41 2.62 -0.89 6.32 0.00 -0.97 -1.51 120.51 123.67 1bxb n ALA 223 Ca 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1bxb n ALA 223 Cb 0.30 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.10 0.53 3.93 0.00 0.00 -0.04 -4.93 105.19 105.77 1bxb n GLY 224 Ca 0.21 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 2.98 -0.45 0.99 1.43 -0.61 -4.97 118.68 118.05 1bxb s LEU 225 Ca 0.00 0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 53.42 1bxb s LEU 225 Cb 0.00 -3.20 0.04 0.00 0.03 0.00 0.00 46.19 43.06 1bxb s LEU 225 CO 0.00 -1.40 0.44 0.21 0.23 0.00 0.00 176.35 175.83 1bxb s ASN 226 N -4.45 6.17 0.29 2.29 3.84 -1.26 -4.11 114.94 117.72 1bxb s ASN 226 Ca 0.58 -0.95 -0.01 0.00 0.21 0.00 0.00 52.86 52.69 1bxb s ASN 226 Cb -0.11 -2.22 0.44 0.00 -0.55 0.00 0.00 41.25 38.82 1bxb s ASN 226 CO 0.44 -0.64 1.89 0.15 -2.79 0.00 0.00 177.10 176.15 1bxb h PHE 227 N 8.78 0.90 -0.59 0.43 3.57 -1.91 -2.70 116.94 125.42 1bxb h PHE 227 Ca -0.27 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.16 1bxb h PHE 227 Cb 1.11 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 1bxb h PHE 227 CO 0.64 0.67 0.28 0.28 -2.23 0.00 0.00 178.31 177.95 1bxb h VAL 228 N 0.90 1.21 -0.83 1.41 2.07 -1.93 -0.55 116.25 118.54 1bxb h VAL 228 Ca 0.22 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1bxb h VAL 228 Cb 0.12 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1bxb h VAL 228 CO -0.03 0.25 0.49 0.45 0.02 0.00 0.00 177.57 178.75 1bxb h HIS 229 N 0.81 1.10 -0.35 1.57 3.86 -1.94 -0.91 115.15 119.29 1bxb h HIS 229 Ca 0.20 -0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.28 1bxb h HIS 229 Cb 0.13 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 1bxb h HIS 229 CO 0.00 0.74 -0.28 0.00 0.86 0.00 0.00 177.93 179.26 1bxb h ALA 230 N 1.26 0.51 -0.53 2.45 0.00 -1.13 -1.83 119.26 120.00 1bxb h ALA 230 Ca 0.30 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1bxb h ALA 230 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1bxb h ALA 230 CO -0.05 0.52 -0.01 0.28 0.00 0.00 0.00 179.25 179.99 1bxb h VAL 231 N 0.59 1.25 -0.28 0.00 2.07 -1.05 -1.58 116.25 117.26 1bxb h VAL 231 Ca 0.06 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 1bxb h VAL 231 Cb 0.85 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1bxb h VAL 231 CO 0.07 0.39 -0.04 0.00 0.02 0.00 0.00 177.57 178.01 1bxb h ALA 232 N 1.15 1.40 -0.28 1.67 0.00 -1.04 0.13 119.26 122.29 1bxb h ALA 232 Ca 0.15 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1bxb h ALA 232 Cb 0.51 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1bxb h ALA 232 CO 0.03 0.42 -0.52 0.37 0.00 0.00 0.00 179.25 179.54 1bxb h GLN 233 N 0.43 0.82 -0.06 0.00 4.15 -1.03 -0.55 115.11 118.87 1bxb h GLN 233 Ca 0.09 -0.51 0.02 0.00 0.77 0.00 0.00 58.65 59.03 1bxb h GLN 233 Cb 0.35 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 1bxb h GLN 233 CO 0.01 1.14 -0.09 0.00 -1.93 0.00 0.00 178.83 177.96 1bxb h ALA 234 N 0.76 -0.06 -0.52 3.38 0.00 -0.75 -2.44 119.26 119.64 1bxb h ALA 234 Ca 0.02 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1bxb h ALA 234 Cb 1.12 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1bxb h ALA 234 CO 0.11 -0.57 0.32 -0.07 0.00 0.00 0.00 179.25 179.04 1bxb h LEU 235 N -0.14 0.62 -1.27 0.00 3.38 -0.66 -1.41 115.31 115.84 1bxb h LEU 235 Ca 0.06 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1bxb h LEU 235 Cb 0.21 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1bxb h LEU 235 CO -0.14 0.49 0.57 -0.78 0.09 0.00 0.00 178.44 178.67 1bxb h ASP 236 N 0.70 0.70 0.18 -0.43 3.58 -1.03 -0.64 116.42 119.48 1bxb h ASP 236 Ca 0.19 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1bxb h ASP 236 Cb -0.02 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.92 1bxb h ASP 236 CO -0.04 0.38 -0.06 0.00 -2.88 0.00 0.00 179.24 176.65 1bxb n ALA 237 N -2.43 2.71 -2.26 -0.78 0.00 -0.84 -4.92 120.51 111.99 1bxb n ALA 237 Ca 0.16 -0.30 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 1bxb n ALA 237 Cb 0.40 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 1.19 -0.10 0.02 0.00 0.00 -0.25 -4.95 105.19 101.10 1bxb n GLY 238 Ca 0.18 -0.39 0.02 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.16 2.46 -2.47 1.61 4.76 -0.59 -4.93 118.16 116.84 1bxb n LYS 239 Ca -0.13 -1.59 -0.40 0.00 -2.87 0.00 0.00 58.31 53.32 1bxb n LYS 239 Cb 0.60 -1.03 -0.03 0.00 -1.84 0.00 0.00 35.03 32.73 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 -1.20 3.27 0.02 -0.35 2.96 -1.25 0.47 118.68 122.60 1bxb s LEU 240 Ca 0.05 -0.64 0.22 0.00 -0.22 0.00 0.00 54.13 53.53 1bxb s LEU 240 Cb 0.04 -2.56 -0.25 0.00 0.50 0.00 0.00 46.19 43.93 1bxb s LEU 240 CO 0.00 -1.86 0.61 0.49 -1.32 0.00 0.00 176.35 174.28 1bxb n PHE 241 N 9.87 0.27 -3.53 5.38 3.01 -0.88 -4.90 117.46 126.67 1bxb n PHE 241 Ca 0.15 0.08 -0.09 0.00 1.01 0.00 0.00 57.45 58.60 1bxb n PHE 241 Cb 0.50 -0.65 -0.02 0.00 -0.01 0.00 0.00 39.48 39.30 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 -3.42 -0.37 -0.13 1.38 2.46 -1.05 -4.73 115.29 109.43 1bxb s HIS 242 Ca -0.06 0.17 -0.09 0.00 0.47 0.00 0.00 55.06 55.54 1bxb s HIS 242 Cb 0.12 0.57 0.04 0.00 -0.13 0.00 0.00 32.58 33.19 1bxb s HIS 242 CO 0.87 -0.73 0.33 -1.50 -2.47 0.00 0.00 174.74 171.25 1bxb s ILE 243 N -3.40 -0.02 -0.27 0.89 2.07 -1.25 -3.99 121.20 115.23 1bxb s ILE 243 Ca 0.05 0.06 -0.11 0.00 -1.41 0.00 0.00 60.65 59.24 1bxb s ILE 243 Cb -0.01 -0.48 -0.05 0.00 0.13 0.00 0.00 42.46 42.05 1bxb s ILE 243 CO -0.08 0.02 0.18 -1.81 -1.91 0.00 0.00 174.94 171.35 1bxb s ASP 244 N 0.75 5.99 -0.18 4.50 1.01 -0.07 -2.24 116.67 126.42 1bxb s ASP 244 Ca -0.05 -0.01 -0.04 0.00 0.71 0.00 0.00 52.55 53.16 1bxb s ASP 244 Cb -0.06 -2.11 -0.03 0.00 1.01 0.00 0.00 42.92 41.74 1bxb s ASP 244 CO -0.05 -0.04 -0.02 -0.76 0.21 0.00 0.00 175.17 174.52 1bxb s LEU 245 N 1.67 3.28 0.00 1.23 1.43 0.22 -1.52 118.68 124.99 1bxb s LEU 245 Ca 0.07 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1bxb s LEU 245 Cb -0.16 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1bxb s LEU 245 CO 0.10 0.12 0.00 -0.46 0.23 0.00 0.00 176.35 176.34 1bxb n ASN 246 N 3.86 0.00 -3.80 2.29 2.04 -1.26 -2.86 115.26 115.53 1bxb n ASN 246 Ca -0.17 -0.62 -0.19 0.00 -0.44 0.00 0.00 54.58 53.15 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 0.13 1.64 -0.30 0.53 -1.08 -0.53 -4.51 116.67 112.57 1bxb s ASP 247 Ca 0.00 -1.63 -0.17 0.00 -0.52 0.00 0.00 52.55 50.23 1bxb s ASP 247 Cb 0.00 0.47 0.20 0.00 -1.46 0.00 0.00 42.92 42.13 1bxb s ASP 247 CO 0.00 -0.95 1.24 -1.58 0.52 0.00 0.00 175.17 174.40 1bxb s GLN 248 N -3.70 0.09 0.05 4.34 2.00 -1.26 -1.42 119.66 119.76 1bxb s GLN 248 Ca 0.36 0.15 -0.21 0.00 -2.00 0.00 0.00 55.36 53.65 1bxb s GLN 248 Cb 0.04 0.02 -0.06 0.00 0.80 0.00 0.00 33.01 33.81 1bxb s GLN 248 CO 0.20 -0.02 0.63 1.03 -0.50 0.00 0.00 175.29 176.64 1bxb s ARG 249 N 0.98 4.33 0.66 1.67 0.52 -1.26 -4.82 118.95 121.03 1bxb s ARG 249 Ca -0.07 0.84 -0.18 0.00 -0.52 0.00 0.00 55.73 55.80 1bxb s ARG 249 Cb -0.03 -3.30 -0.00 0.00 0.52 0.00 0.00 34.95 32.14 1bxb s ARG 249 CO -0.11 0.49 1.28 -1.64 0.02 0.00 0.00 175.30 175.34 1bxb s MET 250 N -0.65 2.51 -0.85 3.54 -1.94 -1.26 -4.20 119.30 116.46 1bxb s MET 250 Ca 0.32 2.01 -0.04 0.00 -1.71 0.00 0.00 55.69 56.26 1bxb s MET 250 Cb -0.20 -1.85 0.00 0.00 2.01 0.00 0.00 34.83 34.80 1bxb s MET 250 CO 0.20 -1.62 0.73 0.43 -0.01 0.00 0.00 175.02 174.76 1bxb n SER 251 N -2.01 -4.18 -2.19 3.03 7.64 -0.57 -4.99 113.62 110.36 1bxb n SER 251 Ca 0.15 -0.36 -0.06 0.00 1.01 0.00 0.00 58.87 59.61 1bxb n SER 251 Cb 0.48 -3.41 0.01 0.00 -1.01 0.00 0.00 64.21 60.28 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 -3.30 0.70 -1.52 1.43 0.00 -1.26 -5.08 116.66 107.63 1bxb n ARG 252 Ca -0.04 -1.52 -0.38 0.00 -0.00 0.00 0.00 57.85 55.91 1bxb n ARG 252 Cb 0.55 1.82 0.04 0.00 -0.00 0.00 0.00 32.46 34.87 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 -0.36 -0.12 -1.81 2.89 -1.74 -1.26 -4.83 117.46 110.23 1bxb n PHE 253 Ca -0.05 0.45 -0.42 0.00 -0.56 0.00 0.00 57.45 56.87 1bxb n PHE 253 Cb 0.39 -2.02 -0.03 0.00 1.52 0.00 0.00 39.48 39.34 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 -1.18 6.36 0.03 5.98 -1.08 -1.26 -4.87 116.67 120.65 1bxb s ASP 254 Ca 0.71 2.32 0.17 0.00 -0.52 0.00 0.00 52.55 55.23 1bxb s ASP 254 Cb -0.45 -2.53 -0.16 0.00 -1.46 0.00 0.00 42.92 38.32 1bxb s ASP 254 CO 0.52 -1.17 0.72 0.00 0.52 0.00 0.00 175.17 175.75 1bxb n GLN 255 N 7.62 0.63 -3.85 4.34 6.02 -1.26 -5.00 117.38 125.88 1bxb n GLN 255 Ca 0.20 0.16 -0.24 0.00 -0.01 0.00 0.00 57.00 57.12 1bxb n GLN 255 Cb 0.43 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 29.93 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 -2.82 -0.73 -4.82 1.08 8.00 -1.25 -4.83 116.55 111.19 1bxb n ASP 256 Ca -0.12 -0.93 -0.31 0.00 0.71 0.00 0.00 54.79 54.15 1bxb n ASP 256 Cb 0.85 -3.48 0.06 0.00 -0.02 0.00 0.00 41.12 38.53 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 -6.85 3.00 0.24 0.64 1.43 -0.51 -2.22 118.68 114.41 1bxb s LEU 257 Ca 0.02 1.54 -0.31 0.00 -1.03 0.00 0.00 54.13 54.35 1bxb s LEU 257 Cb -0.01 -4.35 -0.14 0.00 0.03 0.00 0.00 46.19 41.71 1bxb s LEU 257 CO 0.86 -1.57 1.21 -1.14 0.23 0.00 0.00 176.35 175.94 1bxb n ARG 258 N -3.20 1.56 -1.68 1.70 0.63 -1.26 -1.45 116.66 112.97 1bxb n ARG 258 Ca 0.07 0.55 -0.45 0.00 -0.92 0.00 0.00 57.85 57.11 1bxb n ARG 258 Cb 0.54 -2.07 -0.04 0.00 0.45 0.00 0.00 32.46 31.34 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 1.20 2.30 -0.99 -0.14 7.35 -1.26 -2.54 117.46 123.37 1bxb n PHE 259 Ca 0.12 0.30 0.00 0.00 -0.76 0.00 0.00 57.45 57.11 1bxb n PHE 259 Cb 0.30 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.60 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 3.00 0.65 0.12 7.13 0.00 -1.26 -4.76 105.19 110.07 1bxb n GLY 260 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.86 -3.38 113.55 114.56 1bxb h SER 261 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1bxb h SER 261 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 1bxb h SER 261 CO 0.00 0.56 -1.57 -0.62 -0.87 0.00 0.00 176.83 174.33 1bxb n GLU 262 N -3.10 0.27 -3.25 4.77 -0.58 -1.26 -4.90 120.64 112.59 1bxb n GLU 262 Ca -0.03 0.12 -0.38 0.00 -0.42 0.00 0.00 57.16 56.45 1bxb n GLU 262 Cb 0.79 -0.96 -0.02 0.00 -0.57 0.00 0.00 31.44 30.67 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 5.35 0.01 1.62 3.02 -1.26 -4.93 115.26 115.44 1bxb n ASN 263 Ca -0.23 -3.33 -0.10 0.00 -0.03 0.00 0.00 54.58 50.89 1bxb n ASN 263 Cb 0.63 -1.11 -0.04 0.00 -0.61 0.00 0.00 39.78 38.65 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 5.40 -0.35 -0.66 3.41 3.38 -1.91 -1.42 115.31 123.16 1bxb h LEU 264 Ca 0.19 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1bxb h LEU 264 Cb 0.69 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1bxb h LEU 264 CO 1.10 -0.15 0.40 0.50 0.09 0.00 0.00 178.44 180.38 1bxb h LYS 265 N -0.15 0.90 -0.51 1.13 3.64 -1.94 0.13 116.57 119.77 1bxb h LYS 265 Ca 0.07 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 1bxb h LYS 265 Cb 0.25 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1bxb h LYS 265 CO -0.18 0.65 -0.16 0.00 -2.27 0.00 0.00 179.45 177.48 1bxb h ALA 266 N 1.20 0.73 -0.65 5.00 0.00 -1.94 -1.87 119.26 121.74 1bxb h ALA 266 Ca 0.24 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1bxb h ALA 266 Cb -0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1bxb h ALA 266 CO -0.04 0.67 0.39 0.00 0.00 0.00 0.00 179.25 180.27 1bxb h ALA 267 N 0.91 0.85 -0.31 0.00 0.00 -1.08 -0.66 119.26 118.98 1bxb h ALA 267 Ca 0.13 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1bxb h ALA 267 Cb 0.74 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1bxb h ALA 267 CO 0.06 0.12 0.06 0.35 0.00 0.00 0.00 179.25 179.84 1bxb h PHE 268 N 0.76 0.11 0.00 0.00 3.57 -0.40 -1.41 116.94 119.56 1bxb h PHE 268 Ca 0.27 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 1bxb h PHE 268 Cb 0.07 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1bxb h PHE 268 CO -0.06 0.03 -0.03 0.74 -2.23 0.00 0.00 178.31 176.75 1bxb h PHE 269 N 0.18 0.00 0.01 0.41 0.04 -1.11 -1.98 116.94 114.49 1bxb h PHE 269 Ca 0.14 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.91 1bxb h PHE 269 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1bxb h PHE 269 CO -0.17 0.03 -0.01 1.25 -0.60 0.00 0.00 178.31 178.82 1bxb h LEU 270 N 0.00 -0.02 -0.84 1.54 5.85 -0.82 -1.47 115.31 119.56 1bxb h LEU 270 Ca -0.00 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.33 1bxb h LEU 270 Cb 1.01 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 1bxb h LEU 270 CO 0.00 0.42 0.54 0.58 -0.34 0.00 0.00 178.44 179.64 1bxb h VAL 271 N -0.45 1.13 -0.76 1.05 2.07 -1.22 -0.39 116.25 117.68 1bxb h VAL 271 Ca -0.00 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1bxb h VAL 271 Cb 0.43 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1bxb h VAL 271 CO 0.00 0.19 0.41 -0.78 0.02 0.00 0.00 177.57 177.41 1bxb h ASP 272 N 1.04 0.95 -0.35 0.57 3.58 -1.34 -0.42 116.42 120.45 1bxb h ASP 272 Ca 0.34 -0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.60 1bxb h ASP 272 Cb 0.02 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 1bxb h ASP 272 CO -0.12 0.78 -0.11 0.25 -2.88 0.00 0.00 179.24 177.17 1bxb h LEU 273 N 1.05 0.70 -0.25 2.28 5.85 -0.35 -1.38 115.31 123.20 1bxb h LEU 273 Ca 0.27 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1bxb h LEU 273 Cb 0.04 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1bxb h LEU 273 CO -0.04 0.91 0.09 -0.07 -0.34 0.00 0.00 178.44 179.00 1bxb h LEU 274 N 0.48 0.36 -0.45 2.25 3.38 -0.87 -2.51 115.31 117.93 1bxb h LEU 274 Ca 0.09 -0.18 -0.17 0.00 0.09 0.00 0.00 57.88 57.70 1bxb h LEU 274 Cb 0.62 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1bxb h LEU 274 CO 0.04 0.44 -0.65 -0.33 0.09 0.00 0.00 178.44 178.03 1bxb h GLU 275 N 0.25 0.48 -0.01 1.13 4.39 -0.97 -2.70 114.58 117.15 1bxb h GLU 275 Ca 0.08 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1bxb h GLU 275 Cb 0.20 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1bxb h GLU 275 CO -0.01 0.97 -0.15 -1.13 -1.16 0.00 0.00 179.01 177.53 1bxb n SER 276 N -3.90 1.04 0.01 1.42 3.41 -0.53 -3.26 113.62 111.80 1bxb n SER 276 Ca -0.04 -1.02 0.11 0.00 -0.26 0.00 0.00 58.87 57.66 1bxb n SER 276 Cb 0.66 0.06 0.10 0.00 -0.26 0.00 0.00 64.21 64.76 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 -0.47 0.67 -1.25 4.04 7.64 -0.95 -4.96 113.62 118.34 1bxb n SER 277 Ca 0.15 -0.46 -0.10 0.00 1.01 0.00 0.00 58.87 59.47 1bxb n SER 277 Cb 0.33 0.57 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 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 1.47 0.04 3.72 0.23 0.00 -1.18 -4.98 105.19 104.49 1bxb n GLY 278 Ca 0.04 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.61 3.05 -0.67 1.61 5.04 -1.13 -4.91 117.35 117.73 1bxb s TYR 279 Ca 0.05 0.67 0.06 0.00 -2.44 0.00 0.00 57.07 55.42 1bxb s TYR 279 Cb -0.02 -3.92 0.02 0.00 0.35 0.00 0.00 41.96 38.38 1bxb s TYR 279 CO 0.07 -3.35 0.58 1.04 -1.34 0.00 0.00 175.55 172.55 1bxb n GLN 280 N 3.76 1.44 -1.64 4.97 1.13 -1.26 -4.93 117.38 120.85 1bxb n GLN 280 Ca 0.13 -0.63 -0.24 0.00 -1.94 0.00 0.00 57.00 54.32 1bxb n GLN 280 Cb 0.39 -1.03 0.16 0.00 0.11 0.00 0.00 30.24 29.88 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 0.60 -1.26 3.76 1.08 0.00 -1.26 -5.03 105.19 103.07 1bxb n GLY 281 Ca 0.03 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 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 -5.35 3.27 -0.70 1.61 0.02 -1.26 -4.93 135.00 127.66 1bxb s PRO 282 Ca 0.62 2.01 -0.11 0.00 0.02 0.00 0.00 61.00 63.55 1bxb s PRO 282 Cb -0.02 -2.23 0.18 0.00 0.02 0.00 0.00 34.50 32.46 1bxb s PRO 282 CO 0.43 -1.02 0.60 1.03 -0.33 0.00 0.00 177.00 177.71 1bxb s ARG 283 N -2.94 3.12 -0.14 5.54 3.00 0.15 -3.83 118.95 123.85 1bxb s ARG 283 Ca 0.71 -2.31 -0.20 0.00 0.00 0.00 0.00 55.73 53.93 1bxb s ARG 283 Cb -0.35 -4.17 -0.03 0.00 0.00 0.00 0.00 34.95 30.40 1bxb s ARG 283 CO 0.41 -1.25 0.58 -1.58 0.00 0.00 0.00 175.30 173.46 1bxb s HIS 284 N 0.42 3.47 -1.09 -0.53 2.46 -0.95 -1.51 115.29 117.55 1bxb s HIS 284 Ca 0.14 0.97 -0.15 0.00 0.47 0.00 0.00 55.06 56.50 1bxb s HIS 284 Cb -0.17 -2.70 0.18 0.00 -0.13 0.00 0.00 32.58 29.75 1bxb s HIS 284 CO -0.05 0.01 1.26 -0.06 -2.47 0.00 0.00 174.74 173.42 1bxb s PHE 285 N 1.20 3.52 -1.33 3.88 0.08 -0.88 0.71 117.98 125.14 1bxb s PHE 285 Ca 0.29 -1.99 -0.17 0.00 0.12 0.00 0.00 56.93 55.18 1bxb s PHE 285 Cb -0.16 -4.21 0.06 0.00 -0.57 0.00 0.00 43.02 38.15 1bxb s PHE 285 CO 0.12 -1.33 1.85 -3.47 -0.10 0.00 0.00 175.22 172.28 1bxb n ASP 286 N 5.39 4.70 -3.50 1.36 -0.08 -1.14 -4.60 116.55 118.67 1bxb n ASP 286 Ca 0.30 -2.90 -0.11 0.00 -1.51 0.00 0.00 54.79 50.57 1bxb n ASP 286 Cb 0.44 -1.73 -0.03 0.00 2.34 0.00 0.00 41.12 42.14 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 4.05 -0.03 0.11 -1.67 0.00 -1.26 -4.72 121.76 118.24 1bxb s ALA 287 Ca 0.53 -1.05 -0.10 0.00 0.00 0.00 0.00 51.96 51.33 1bxb s ALA 287 Cb 0.06 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.19 1bxb s ALA 287 CO 0.04 -0.87 0.26 -3.38 0.00 0.00 0.00 175.76 171.81 1bxb s HIS 288 N -3.32 0.14 0.83 0.00 -3.43 -0.94 -4.38 115.29 104.19 1bxb s HIS 288 Ca 0.23 -0.54 -0.12 0.00 -0.80 0.00 0.00 55.06 53.84 1bxb s HIS 288 Cb -0.02 0.01 0.09 0.00 -1.43 0.00 0.00 32.58 31.23 1bxb s HIS 288 CO 0.13 -0.62 1.16 0.00 -2.00 0.00 0.00 174.74 173.41 1bxb s ALA 289 N -3.88 1.82 0.51 -1.38 0.00 -1.26 -4.51 121.76 113.07 1bxb s ALA 289 Ca 0.08 0.64 -0.22 0.00 0.00 0.00 0.00 51.96 52.46 1bxb s ALA 289 Cb 0.04 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 1bxb s ALA 289 CO -0.08 -2.30 1.31 -0.51 0.00 0.00 0.00 175.76 174.18 1bxb s LEU 290 N -5.99 3.92 0.00 0.00 1.43 -1.26 -4.88 118.68 111.90 1bxb s LEU 290 Ca 0.69 2.65 0.06 0.00 -1.03 0.00 0.00 54.13 56.50 1bxb s LEU 290 Cb -0.24 -4.23 0.30 0.00 0.03 0.00 0.00 46.19 42.05 1bxb s LEU 290 CO 0.53 -1.35 1.11 -1.14 0.23 0.00 0.00 176.35 175.73 1bxb n ARG 291 N -0.79 0.05 -0.02 1.70 0.63 -1.26 -1.87 116.66 115.10 1bxb n ARG 291 Ca 0.09 0.29 0.12 0.00 -0.92 0.00 0.00 57.85 57.44 1bxb n ARG 291 Cb 0.45 -1.50 0.58 0.00 0.45 0.00 0.00 32.46 32.44 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 -1.37 0.06 -4.19 5.15 -2.24 -1.26 -4.92 114.28 105.51 1bxb n THR 292 Ca 0.02 -0.16 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 1bxb n THR 292 Cb 0.06 0.06 -0.08 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.94 3.06 0.00 -0.78 0.41 -0.78 -5.10 118.70 113.57 1bxb s GLU 293 Ca 0.36 -0.42 0.00 0.00 -0.41 0.00 0.00 54.97 54.50 1bxb s GLU 293 Cb 0.18 -2.86 0.00 0.00 -1.78 0.00 0.00 34.13 29.67 1bxb s GLU 293 CO 0.29 0.68 0.00 -0.40 -0.49 0.00 0.00 175.26 175.34 1bxb n ASP 294 N 1.66 0.00 0.09 -0.19 5.68 -1.26 -4.86 116.55 117.67 1bxb n ASP 294 Ca -0.16 -0.91 -0.00 0.00 -0.50 0.00 0.00 54.79 53.21 1bxb n ASP 294 Cb 0.53 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.81 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 0.27 -0.84 0.11 4.81 -2.00 -0.84 114.58 116.10 1bxb h GLU 295 Ca 0.00 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1bxb h GLU 295 Cb 0.00 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1bxb h GLU 295 CO 0.00 0.52 0.48 0.93 -0.73 0.00 0.00 179.01 180.21 1bxb h GLU 296 N 0.24 1.15 -0.16 1.92 3.07 -2.00 -1.83 114.58 116.98 1bxb h GLU 296 Ca 0.04 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 58.73 1bxb h GLU 296 Cb 0.60 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1bxb h GLU 296 CO 0.04 0.83 -0.13 0.78 -1.40 0.00 0.00 179.01 179.13 1bxb h GLY 297 N 1.18 0.27 1.00 -3.84 0.00 -1.52 -2.00 103.07 98.16 1bxb h GLY 297 Ca 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1bxb h GLY 297 CO -0.05 0.15 0.27 -2.08 0.00 0.00 0.00 176.54 174.83 1bxb h VAL 298 N 0.24 1.11 0.00 4.60 2.07 -0.84 0.44 116.25 123.87 1bxb h VAL 298 Ca 0.05 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1bxb h VAL 298 Cb 0.38 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1bxb h VAL 298 CO 0.02 0.11 -0.30 -0.50 0.02 0.00 0.00 177.57 176.92 1bxb h TRP 299 N 0.56 0.00 -0.41 1.57 4.06 -1.25 -1.36 115.95 119.11 1bxb h TRP 299 Ca 0.15 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.01 1bxb h TRP 299 Cb -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.09 1bxb h TRP 299 CO -0.04 0.30 -0.11 0.00 -3.56 0.00 0.00 178.44 175.03 1bxb h ALA 300 N 1.70 0.57 -0.13 1.49 0.00 -0.93 -0.80 119.26 121.15 1bxb h ALA 300 Ca -0.00 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.62 1bxb h ALA 300 Cb 0.96 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1bxb h ALA 300 CO 0.04 0.45 -0.19 0.35 0.00 0.00 0.00 179.25 179.90 1bxb h PHE 301 N 0.62 -0.50 -0.37 0.00 3.57 -0.55 -1.14 116.94 118.57 1bxb h PHE 301 Ca 0.10 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1bxb h PHE 301 Cb 0.64 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 1bxb h PHE 301 CO 0.05 -0.27 0.15 0.00 -2.23 0.00 0.00 178.31 176.02 1bxb h ALA 302 N 0.77 0.48 -0.85 2.41 0.00 -1.05 -2.31 119.26 118.70 1bxb h ALA 302 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bxb h ALA 302 Cb 0.39 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1bxb h ALA 302 CO -0.27 0.07 0.54 0.00 0.00 0.00 0.00 179.25 179.59 1bxb h ARG 303 N 0.45 1.14 -0.59 0.00 3.08 -1.10 -2.94 114.38 114.41 1bxb h ARG 303 Ca 0.12 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1bxb h ARG 303 Cb 0.17 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1bxb h ARG 303 CO -0.01 0.78 0.11 0.78 -1.07 0.00 0.00 179.97 180.56 1bxb h GLY 304 N 1.16 1.00 0.61 0.04 0.00 -0.96 -1.14 103.07 103.79 1bxb h GLY 304 Ca 0.31 -0.62 0.03 0.00 0.00 0.00 0.00 47.33 47.05 1bxb h GLY 304 CO -0.06 0.58 -0.11 0.00 0.00 0.00 0.00 176.54 176.95 1bxb h MET 306 N -0.14 0.80 -0.18 0.00 2.07 -1.51 -2.55 114.93 113.42 1bxb h MET 306 Ca 0.07 -0.59 -0.01 0.00 -2.07 0.00 0.00 59.70 57.10 1bxb h MET 306 Cb 0.24 0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 30.07 1bxb h MET 306 CO -0.17 1.21 0.06 -0.09 1.07 0.00 0.00 176.91 178.98 1bxb h ARG 307 N 0.57 0.27 -0.58 1.72 2.43 -1.13 -2.15 114.38 115.51 1bxb h ARG 307 Ca -0.02 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1bxb h ARG 307 Cb 1.30 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 1bxb h ARG 307 CO 0.14 0.38 0.38 1.15 -1.51 0.00 0.00 179.97 180.51 1bxb h THR 308 N 0.12 1.13 -0.94 0.20 2.02 -1.14 -0.61 112.91 113.69 1bxb h THR 308 Ca 0.06 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 67.04 1bxb h THR 308 Cb 0.21 0.30 -0.06 0.00 -1.74 0.00 0.00 68.15 66.86 1bxb h THR 308 CO -0.00 0.14 0.61 0.22 0.37 0.00 0.00 175.52 176.86 1bxb h TYR 309 N 0.77 1.10 0.05 3.16 5.03 -1.26 -1.48 116.97 124.34 1bxb h TYR 309 Ca 0.22 0.03 -0.25 0.00 2.58 0.00 0.00 58.73 61.31 1bxb h TYR 309 Cb -0.07 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 37.86 1bxb h TYR 309 CO -0.04 0.57 -1.06 -0.07 -1.32 0.00 0.00 178.16 176.23 1bxb h LEU 310 N 1.07 0.50 -0.69 2.82 3.38 -0.78 -0.49 115.31 121.12 1bxb h LEU 310 Ca 0.41 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1bxb h LEU 310 Cb 0.20 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1bxb h LEU 310 CO -0.16 1.28 0.46 0.40 0.09 0.00 0.00 178.44 180.51 1bxb h ILE 311 N 0.17 1.18 -0.04 1.22 2.04 -0.84 -2.31 117.51 118.94 1bxb h ILE 311 Ca -0.10 -0.34 -0.17 0.00 1.00 0.00 0.00 64.86 65.25 1bxb h ILE 311 Cb 1.73 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1bxb h ILE 311 CO 0.18 0.18 -0.72 -0.07 0.00 0.00 0.00 178.15 177.72 1bxb h LEU 312 N 0.94 0.24 -0.29 1.44 3.38 -1.11 -1.47 115.31 118.44 1bxb h LEU 312 Ca 0.25 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1bxb h LEU 312 Cb -0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1bxb h LEU 312 CO -0.05 0.88 0.09 0.50 0.09 0.00 0.00 178.44 179.95 1bxb h LYS 313 N 0.14 0.46 -0.51 1.13 3.64 -0.96 -0.83 116.57 119.63 1bxb h LYS 313 Ca -0.02 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1bxb h LYS 313 Cb 1.27 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1bxb h LYS 313 CO 0.11 0.51 0.25 1.49 -2.27 0.00 0.00 179.45 179.54 1bxb h GLU 314 N 0.31 0.73 -0.37 1.90 4.81 -1.24 -2.55 114.58 118.17 1bxb h GLU 314 Ca 0.09 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1bxb h GLU 314 Cb 0.24 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1bxb h GLU 314 CO -0.00 0.60 -0.14 -0.09 -0.73 0.00 0.00 179.01 178.65 1bxb h ARG 315 N 0.68 0.67 -0.33 1.92 9.65 -1.16 -2.27 114.38 123.54 1bxb h ARG 315 Ca 0.18 -0.22 -0.08 0.00 -1.10 0.00 0.00 59.98 58.75 1bxb h ARG 315 Cb 0.10 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1bxb h ARG 315 CO -0.02 0.78 -0.14 0.00 2.80 0.00 0.00 179.97 183.39 1bxb h ALA 316 N 1.24 1.15 -0.29 2.80 0.00 -0.96 -0.59 119.26 122.62 1bxb h ALA 316 Ca 0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1bxb h ALA 316 Cb 0.59 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1bxb h ALA 316 CO 0.04 0.53 0.04 0.93 0.00 0.00 0.00 179.25 180.79 1bxb h GLU 317 N 0.52 0.49 -0.52 0.00 5.08 -1.02 -2.12 114.58 117.02 1bxb h GLU 317 Ca 0.09 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1bxb h GLU 317 Cb 0.54 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1bxb h GLU 317 CO 0.03 0.61 0.06 0.00 -1.00 0.00 0.00 179.01 178.71 1bxb h ALA 318 N 0.86 1.13 -0.31 3.43 0.00 -1.19 -2.73 119.26 120.45 1bxb h ALA 318 Ca 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1bxb h ALA 318 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1bxb h ALA 318 CO 0.01 0.57 0.15 0.35 0.00 0.00 0.00 179.25 180.33 1bxb h PHE 319 N 0.79 0.44 0.00 0.00 3.57 -0.97 -2.93 116.94 117.85 1bxb h PHE 319 Ca 0.16 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1bxb h PHE 319 Cb 0.39 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1bxb h PHE 319 CO 0.02 0.38 0.00 0.00 -2.23 0.00 0.00 178.31 176.48 1bxb h ARG 320 N 0.37 0.00 -0.34 1.11 2.47 -1.09 -2.54 114.38 114.35 1bxb h ARG 320 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1bxb h ARG 320 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1bxb h ARG 320 CO -0.01 0.00 0.00 0.39 0.56 0.00 0.00 179.97 180.91 1bxb n GLU 321 N -3.05 2.33 -2.11 0.04 -0.58 -1.09 -4.71 120.64 111.48 1bxb n GLU 321 Ca -0.00 -2.14 -0.42 0.00 -0.42 0.00 0.00 57.16 54.17 1bxb n GLU 321 Cb 0.24 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.63 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 -1.36 6.76 0.36 1.62 -1.08 -0.96 -4.91 116.67 117.10 1bxb s ASP 322 Ca 0.34 2.37 0.04 0.00 -0.52 0.00 0.00 52.55 54.78 1bxb s ASP 322 Cb 0.20 -2.58 0.68 0.00 -1.46 0.00 0.00 42.92 39.75 1bxb s ASP 322 CO 0.28 -0.71 1.96 1.55 0.52 0.00 0.00 175.17 178.77 1bxb h PRO 323 N 7.05 0.63 -0.23 4.34 0.13 -1.91 -1.58 132.00 140.43 1bxb h PRO 323 Ca -0.42 -0.08 -0.17 0.00 -0.87 0.00 0.00 66.00 64.47 1bxb h PRO 323 Cb 1.20 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1bxb h PRO 323 CO 0.88 0.51 -0.54 1.49 -0.23 0.00 0.00 178.00 180.11 1bxb h GLU 324 N 0.63 0.69 -0.58 0.86 4.81 -1.97 -1.68 114.58 117.34 1bxb h GLU 324 Ca 0.16 -0.43 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1bxb h GLU 324 Cb 0.09 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1bxb h GLU 324 CO -0.02 1.05 0.27 0.28 -0.73 0.00 0.00 179.01 179.86 1bxb h VAL 325 N 0.53 1.21 -0.69 0.32 2.07 -1.82 -0.32 116.25 117.56 1bxb h VAL 325 Ca 0.01 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1bxb h VAL 325 Cb 1.10 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1bxb h VAL 325 CO 0.11 0.25 0.26 0.11 0.02 0.00 0.00 177.57 178.31 1bxb h LYS 326 N 0.79 1.02 -0.34 1.57 1.79 -1.17 -0.69 116.57 119.54 1bxb h LYS 326 Ca 0.20 -0.18 -0.16 0.00 -2.18 0.00 0.00 60.65 58.33 1bxb h LYS 326 Cb 0.14 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1bxb h LYS 326 CO -0.02 0.84 -0.40 1.49 -1.08 0.00 0.00 179.45 180.28 1bxb h GLU 327 N 1.00 0.87 -0.50 3.15 4.81 -1.04 -1.26 114.58 121.60 1bxb h GLU 327 Ca 0.23 -0.48 -0.11 0.00 -0.13 0.00 0.00 59.36 58.87 1bxb h GLU 327 Cb 0.21 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1bxb h GLU 327 CO -0.02 1.12 -0.13 -0.07 -0.73 0.00 0.00 179.01 179.19 1bxb h LEU 328 N 0.66 0.95 -0.73 1.64 3.38 -0.64 -2.80 115.31 117.76 1bxb h LEU 328 Ca 0.05 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 1bxb h LEU 328 Cb 0.99 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1bxb h LEU 328 CO 0.10 1.08 -0.61 -0.07 0.09 0.00 0.00 178.44 179.02 1bxb h LEU 329 N 0.84 0.00 -0.44 1.67 3.38 -1.03 0.40 115.31 120.13 1bxb h LEU 329 Ca 0.13 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 1bxb h LEU 329 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1bxb h LEU 329 CO 0.05 0.61 -0.59 0.00 0.09 0.00 0.00 178.44 178.61 1bxb h ALA 330 N 1.39 0.61 -0.16 1.53 0.00 -1.12 -0.82 119.26 120.69 1bxb h ALA 330 Ca -0.01 -0.53 -0.21 0.00 0.00 0.00 0.00 54.91 54.17 1bxb h ALA 330 Cb 1.12 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1bxb h ALA 330 CO 0.08 0.70 -0.73 0.00 0.00 0.00 0.00 179.25 179.29 1bxb h ALA 331 N 0.88 0.41 -0.89 0.00 0.00 -1.38 -2.29 119.26 115.99 1bxb h ALA 331 Ca 0.00 -0.59 0.09 0.00 0.00 0.00 0.00 54.91 54.41 1bxb h ALA 331 Cb 1.15 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1bxb h ALA 331 CO 0.11 0.70 0.54 -0.92 0.00 0.00 0.00 179.25 179.69 1bxb h TYR 332 N 0.50 1.00 -0.57 0.00 3.20 -0.62 -2.86 116.97 117.62 1bxb h TYR 332 Ca -0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1bxb h TYR 332 Cb 1.34 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1bxb h TYR 332 CO 0.07 0.45 0.00 0.66 -1.64 0.00 0.00 178.16 177.70 1bxb n TYR 333 N -4.65 1.26 -1.64 -3.82 4.01 -0.34 -4.98 117.16 106.99 1bxb n TYR 333 Ca 0.15 -0.62 -0.61 0.00 -0.16 0.00 0.00 57.90 56.66 1bxb n TYR 333 Cb 0.25 -0.21 -0.08 0.00 -0.31 0.00 0.00 39.34 38.99 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 0.88 0.38 -3.95 -0.72 -0.06 -0.87 -4.95 117.38 108.10 1bxb n GLN 334 Ca 0.23 0.14 -0.30 0.00 -2.00 0.00 0.00 57.00 55.07 1bxb n GLN 334 Cb 0.81 -1.69 -0.16 0.00 -4.06 0.00 0.00 30.24 25.14 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 1.73 1.69 -0.05 3.69 2.02 -1.26 -5.10 118.70 121.42 1bxb s GLU 335 Ca 0.96 -0.94 -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 -0.56 1.53 0.34 0.02 0.00 0.00 175.26 177.25 1bxb s ASP 336 N 1.40 6.75 0.45 -0.19 -1.08 -1.26 -4.94 116.67 117.80 1bxb s ASP 336 Ca -0.05 2.14 0.13 0.00 -0.52 0.00 0.00 52.55 54.25 1bxb s ASP 336 Cb -0.18 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 39.77 1bxb s ASP 336 CO -0.07 -0.85 2.03 -0.65 0.52 0.00 0.00 175.17 176.16 1bxb h PRO 337 N 8.84 0.35 -0.59 4.34 0.11 -1.99 0.33 132.00 143.39 1bxb h PRO 337 Ca -0.37 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.67 1bxb h PRO 337 Cb 1.17 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1bxb h PRO 337 CO 0.94 0.23 0.16 0.00 -0.21 0.00 0.00 178.00 179.13 1bxb h ALA 338 N 1.76 1.17 -0.09 -0.75 0.00 -2.00 -2.00 119.26 117.35 1bxb h ALA 338 Ca 0.19 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1bxb h ALA 338 Cb 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bxb h ALA 338 CO -0.05 0.57 -0.32 0.00 0.00 0.00 0.00 179.25 179.46 1bxb h ALA 339 N 1.30 0.16 -0.59 0.00 0.00 -1.47 -3.27 119.26 115.38 1bxb h ALA 339 Ca 0.19 -0.43 0.13 0.00 0.00 0.00 0.00 54.91 54.79 1bxb h ALA 339 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1bxb h ALA 339 CO -0.00 0.20 0.40 -0.07 0.00 0.00 0.00 179.25 179.78 1bxb h LEU 340 N -0.09 0.24 -0.90 0.00 4.07 -0.86 -1.26 115.31 116.50 1bxb h LEU 340 Ca -0.01 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1bxb h LEU 340 Cb 0.95 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1bxb h LEU 340 CO 0.07 0.13 0.00 0.00 -1.08 0.00 0.00 178.44 177.56 1bxb h ALA 341 N 1.71 1.00 -0.00 1.53 0.00 -1.41 -2.14 119.26 119.94 1bxb h ALA 341 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1bxb h ALA 341 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1bxb h ALA 341 CO -0.06 0.00 -0.29 1.28 0.00 0.00 0.00 179.25 180.18 1bxb n LEU 342 N -2.54 0.74 -4.84 0.00 4.77 -0.48 -4.94 117.00 109.71 1bxb n LEU 342 Ca 0.02 -0.11 -0.29 0.00 -0.03 0.00 0.00 56.01 55.60 1bxb n LEU 342 Cb 0.27 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1bxb n LEU 342 CO 0.23 0.15 -0.08 -0.76 -1.33 0.00 0.00 177.39 175.59 1bxb s LEU 343 N -2.66 2.50 0.00 2.23 1.43 -0.81 -4.90 118.68 116.48 1bxb s LEU 343 Ca 0.21 -1.44 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 1bxb s LEU 343 Cb 0.19 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.43 1bxb s LEU 343 CO 0.56 -1.01 0.00 0.61 0.23 0.00 0.00 176.35 176.75 1bxb n GLY 344 N -1.55 -1.48 3.76 -3.19 0.00 -1.26 -4.99 105.19 96.47 1bxb n GLY 344 Ca -0.10 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 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 2.08 -1.83 1.61 -0.02 -1.26 -4.93 135.00 130.65 1bxb n PRO 345 Ca 0.00 0.75 -0.37 0.00 -2.02 0.00 0.00 63.50 61.85 1bxb n PRO 345 Cb 0.00 -2.62 0.05 0.00 -0.02 0.00 0.00 33.50 30.91 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 -1.22 2.25 0.10 6.00 5.04 -1.26 -4.96 117.35 123.30 1bxb s TYR 346 Ca 0.64 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.72 1bxb s TYR 346 Cb -0.44 -3.69 0.00 0.00 0.35 0.00 0.00 41.96 38.18 1bxb s TYR 346 CO 0.55 -2.74 0.00 0.43 -1.34 0.00 0.00 175.55 172.44 1bxb n SER 347 N -1.41 0.46 0.00 4.32 7.64 -1.26 -5.02 113.62 118.34 1bxb n SER 347 Ca 0.13 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1bxb n SER 347 Cb 0.47 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1bxb n SER 347 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1bxb n ARG 348 N -3.27 0.00 0.07 1.43 3.00 -1.26 -4.73 116.66 111.91 1bxb n ARG 348 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.80 1bxb n ARG 348 Cb 0.12 0.00 0.14 0.00 0.00 0.00 0.00 32.46 32.73 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 0.31 -0.30 -0.14 4.11 -1.98 -0.51 114.58 116.06 1bxb h GLU 349 Ca 0.00 -0.18 -0.15 0.00 0.07 0.00 0.00 59.36 59.10 1bxb h GLU 349 Cb 0.00 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1bxb h GLU 349 CO 0.00 0.75 -0.40 0.87 0.07 0.00 0.00 179.01 180.30 1bxb h LYS 350 N 0.24 0.73 -0.40 1.06 1.57 -1.95 -1.48 116.57 116.34 1bxb h LYS 350 Ca 0.01 -0.38 -0.08 0.00 -1.87 0.00 0.00 60.65 58.33 1bxb h LYS 350 Cb 0.99 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1bxb h LYS 350 CO 0.08 1.00 -0.07 0.00 -0.57 0.00 0.00 179.45 179.90 1bxb h ALA 351 N 0.95 1.14 0.07 3.86 0.00 -1.83 0.54 119.26 123.99 1bxb h ALA 351 Ca 0.05 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 1bxb h ALA 351 Cb 0.94 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.59 1bxb h ALA 351 CO 0.09 0.55 -0.83 1.49 0.00 0.00 0.00 179.25 180.55 1bxb h GLU 352 N 0.63 0.43 -0.69 0.00 4.57 -1.08 -2.24 114.58 116.19 1bxb h GLU 352 Ca 0.12 -0.56 -0.02 0.00 -1.18 0.00 0.00 59.36 57.71 1bxb h GLU 352 Cb 0.49 0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.23 1bxb h GLU 352 CO 0.03 1.22 0.34 0.00 -1.18 0.00 0.00 179.01 179.42 1bxb h ALA 353 N 0.24 0.89 -0.41 2.92 0.00 -1.14 -2.79 119.26 118.98 1bxb h ALA 353 Ca -0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1bxb h ALA 353 Cb 1.56 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1bxb h ALA 353 CO 0.16 0.45 0.24 1.25 0.00 0.00 0.00 179.25 181.34 1bxb h LEU 354 N 0.96 0.50 -1.01 0.00 5.85 -0.90 -0.73 115.31 119.98 1bxb h LEU 354 Ca 0.24 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1bxb h LEU 354 Cb 0.10 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1bxb h LEU 354 CO -0.03 0.42 0.00 0.29 -0.34 0.00 0.00 178.44 178.78 1bxb n LYS 355 N -4.75 0.19 -0.18 1.25 5.02 -0.84 -2.25 118.16 116.58 1bxb n LYS 355 Ca 0.00 0.51 0.04 0.00 -2.02 0.00 0.00 58.31 56.85 1bxb n LYS 355 Cb 0.06 -1.93 0.06 0.00 -0.02 0.00 0.00 35.03 33.21 1bxb n LYS 355 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1bxb n ARG 356 N -2.29 1.01 -1.58 1.97 1.85 -1.06 -5.06 116.66 111.50 1bxb n ARG 356 Ca 0.01 -1.73 -0.31 0.00 -1.00 0.00 0.00 57.85 54.82 1bxb n ARG 356 Cb 0.16 -1.02 0.06 0.00 -1.05 0.00 0.00 32.46 30.61 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 -1.44 2.61 -0.86 2.89 0.00 -0.30 -4.98 121.76 119.68 1bxb s ALA 357 Ca 0.14 0.01 -0.14 0.00 0.00 0.00 0.00 51.96 51.97 1bxb s ALA 357 Cb 0.13 -3.16 0.22 0.00 0.00 0.00 0.00 23.12 20.31 1bxb s ALA 357 CO 0.01 -1.31 0.82 -2.00 0.00 0.00 0.00 175.76 173.29 1bxb s GLU 358 N -5.08 3.65 0.06 0.00 2.56 -1.26 -5.04 118.70 113.60 1bxb s GLU 358 Ca 0.58 -2.47 -0.27 0.00 0.00 0.00 0.00 54.97 52.81 1bxb s GLU 358 Cb -0.14 -4.48 -0.05 0.00 2.00 0.00 0.00 34.13 31.46 1bxb s GLU 358 CO 0.55 -1.32 0.87 -0.51 -0.56 0.00 0.00 175.26 174.28 1bxb s LEU 359 N 0.24 4.45 -1.07 2.70 1.43 -1.26 -4.95 118.68 120.23 1bxb s LEU 359 Ca 0.20 1.60 -0.07 0.00 -1.03 0.00 0.00 54.13 54.83 1bxb s LEU 359 Cb -0.10 -3.41 -0.09 0.00 0.03 0.00 0.00 46.19 42.62 1bxb s LEU 359 CO -0.09 -0.05 2.62 -0.81 0.23 0.00 0.00 176.35 178.25 1bxb n PRO 360 N 2.97 2.71 -0.33 1.29 -0.04 -1.26 -4.70 135.00 135.62 1bxb n PRO 360 Ca 0.00 -1.67 -0.02 0.00 -0.04 0.00 0.00 63.50 61.77 1bxb n PRO 360 Cb 0.50 -2.51 0.10 0.00 -0.04 0.00 0.00 33.50 31.55 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 7.23 1.02 -0.77 1.53 4.07 -1.99 -2.64 115.31 123.76 1bxb h LEU 361 Ca 0.60 -0.02 -0.10 0.00 0.08 0.00 0.00 57.88 58.44 1bxb h LEU 361 Cb 0.38 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1bxb h LEU 361 CO 1.40 0.72 -0.16 -0.08 -1.08 0.00 0.00 178.44 179.25 1bxb h GLU 362 N 1.20 0.77 -0.31 1.13 4.57 -1.99 0.68 114.58 120.62 1bxb h GLU 362 Ca 0.34 -0.28 -0.11 0.00 -1.18 0.00 0.00 59.36 58.14 1bxb h GLU 362 Cb -0.09 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1bxb h GLU 362 CO -0.09 0.88 -0.26 0.00 -1.18 0.00 0.00 179.01 178.37 1bxb h ALA 363 N 1.14 0.97 -0.00 2.92 0.00 -1.88 -2.91 119.26 119.50 1bxb h ALA 363 Ca 0.11 -0.37 -0.21 0.00 0.00 0.00 0.00 54.91 54.44 1bxb h ALA 363 Cb 0.65 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1bxb h ALA 363 CO 0.05 0.60 -0.90 0.87 0.00 0.00 0.00 179.25 179.87 1bxb h LYS 364 N 0.54 0.31 0.00 0.00 1.79 -1.03 -1.93 116.57 116.26 1bxb h LYS 364 Ca 0.07 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1bxb h LYS 364 Cb 0.72 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1bxb h LYS 364 CO 0.06 1.03 0.00 0.00 -1.08 0.00 0.00 179.45 179.45 1bxb h ARG 365 N 0.18 0.00 -0.00 3.15 3.08 -0.72 -2.90 114.38 117.16 1bxb h ARG 365 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1bxb h ARG 365 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.58 1bxb h ARG 365 CO 0.15 0.00 -0.47 0.54 -1.07 0.00 0.00 179.97 179.12 1bxb n ARG 366 N -2.54 3.13 -1.77 0.04 1.74 -1.11 -4.99 116.66 111.16 1bxb n ARG 366 Ca 0.01 -0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.55 1bxb n ARG 366 Cb 0.20 -1.04 -0.02 0.00 -1.02 0.00 0.00 32.46 30.58 1bxb n ARG 366 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1bxb s ARG 367 N -1.93 4.13 -0.16 5.56 3.52 -0.74 -5.02 118.95 124.30 1bxb s ARG 367 Ca 0.05 2.58 -0.07 0.00 -0.13 0.00 0.00 55.73 58.16 1bxb s ARG 367 Cb 0.08 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 1bxb s ARG 367 CO 0.42 -0.66 0.07 0.20 -0.81 0.00 0.00 175.30 174.52 1bxb s GLY 368 N 0.71 1.96 0.00 8.12 0.00 -1.26 -5.00 107.32 111.84 1bxb s GLY 368 Ca 0.67 -0.73 0.23 0.00 0.00 0.00 0.00 44.72 44.89 1bxb s GLY 368 CO 0.43 -0.11 1.63 -1.72 0.00 0.00 0.00 173.10 173.33 1bxb n TYR 369 N 3.04 0.14 -3.67 1.90 4.01 -1.26 -4.94 117.16 116.38 1bxb n TYR 369 Ca -0.17 -0.07 -0.28 0.00 -0.16 0.00 0.00 57.90 57.22 1bxb n TYR 369 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1bxb n TYR 369 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bxb n ALA 370 N 0.17 -1.15 0.17 -0.72 0.00 -1.26 -4.87 120.51 112.85 1bxb n ALA 370 Ca 0.17 0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.81 1bxb n ALA 370 Cb 0.31 -3.48 0.10 0.00 0.00 0.00 0.00 19.45 16.38 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 -1.41 0.00 -0.41 0.00 3.38 -1.99 -2.44 115.31 112.44 1bxb h LEU 371 Ca -0.51 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.30 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 0.62 0.14 -0.41 -0.08 0.09 0.00 0.00 178.44 178.81 1bxb h GLU 372 N 0.00 0.90 -0.27 1.13 4.57 -1.99 0.40 114.58 119.32 1bxb h GLU 372 Ca -0.01 -0.48 -0.09 0.00 -1.18 0.00 0.00 59.36 57.60 1bxb h GLU 372 Cb 1.12 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 1bxb h GLU 372 CO 0.02 1.13 -0.17 -0.09 -1.18 0.00 0.00 179.01 178.71 1bxb h ARG 373 N 0.73 0.59 -0.40 1.92 2.43 -1.94 -1.40 114.38 116.31 1bxb h ARG 373 Ca 0.05 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 1bxb h ARG 373 Cb 0.99 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1bxb h ARG 373 CO 0.10 0.85 0.19 1.25 -1.51 0.00 0.00 179.97 180.85 1bxb h LEU 374 N 0.31 0.52 -0.77 3.80 5.85 -1.40 -1.76 115.31 121.86 1bxb h LEU 374 Ca 0.05 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1bxb h LEU 374 Cb 0.70 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1bxb h LEU 374 CO 0.05 0.51 0.42 -0.78 -0.34 0.00 0.00 178.44 178.30 1bxb h ASP 375 N 0.50 0.96 -0.54 1.25 3.58 -0.88 -1.74 116.42 119.56 1bxb h ASP 375 Ca 0.14 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.44 1bxb h ASP 375 Cb 0.12 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 1bxb h ASP 375 CO -0.02 0.78 0.17 -0.61 -2.88 0.00 0.00 179.24 176.69 1bxb h GLN 376 N 1.06 0.88 -0.77 0.28 5.75 -1.03 -0.84 115.11 120.44 1bxb h GLN 376 Ca 0.27 -0.17 -0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1bxb h GLN 376 Cb 0.03 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 1bxb h GLN 376 CO -0.04 0.77 0.38 1.25 -2.65 0.00 0.00 178.83 178.53 1bxb h LEU 377 N 0.85 1.00 -0.33 -2.39 5.85 -0.95 -0.56 115.31 118.77 1bxb h LEU 377 Ca 0.19 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1bxb h LEU 377 Cb 0.26 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1bxb h LEU 377 CO -0.01 0.84 0.08 0.00 -0.34 0.00 0.00 178.44 179.01 1bxb h ALA 378 N 1.20 0.44 -0.90 1.25 0.00 -0.54 -0.46 119.26 120.24 1bxb h ALA 378 Ca 0.27 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1bxb h ALA 378 Cb 0.10 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1bxb h ALA 378 CO -0.04 0.11 0.58 0.28 0.00 0.00 0.00 179.25 180.18 1bxb h VAL 379 N 0.38 1.13 -0.05 0.00 2.07 -0.96 -1.07 116.25 117.75 1bxb h VAL 379 Ca 0.10 -0.38 -0.15 0.00 0.82 0.00 0.00 66.70 67.10 1bxb h VAL 379 Cb 0.30 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1bxb h VAL 379 CO 0.00 0.20 -0.62 -0.33 0.02 0.00 0.00 177.57 176.84 1bxb h GLU 380 N 1.11 0.20 0.01 1.57 5.08 -0.81 -0.65 114.58 121.11 1bxb h GLU 380 Ca 0.36 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1bxb h GLU 380 Cb 0.04 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1bxb h GLU 380 CO -0.13 0.76 -0.01 1.88 -1.00 0.00 0.00 179.01 180.51 1bxb h TYR 381 N 0.15 -0.02 -0.72 4.33 0.05 -0.88 0.13 116.97 120.01 1bxb h TYR 381 Ca -0.01 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.89 1bxb h TYR 381 Cb 1.13 0.01 -0.08 0.00 1.01 0.00 0.00 36.73 38.79 1bxb h TYR 381 CO 0.02 0.04 0.32 -0.07 -1.05 0.00 0.00 178.16 177.42 1bxb h LEU 382 N -0.07 0.36 0.00 3.88 3.38 -0.99 0.78 115.31 122.65 1bxb h LEU 382 Ca -0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1bxb h LEU 382 Cb 0.07 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1bxb h LEU 382 CO 0.00 0.18 0.00 0.18 0.09 0.00 0.00 178.44 178.89 1bxb n LEU 383 N -4.94 0.00 -0.71 1.67 4.77 -0.27 -4.89 117.00 112.63 1bxb n LEU 383 Ca 0.12 0.38 -0.08 0.00 -0.03 0.00 0.00 56.01 56.41 1bxb n LEU 383 Cb 0.34 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1bxb n LEU 383 CO 0.22 -0.11 -0.08 0.61 -1.33 0.00 0.00 177.39 176.69 1bxb n GLY 384 N 0.59 0.64 0.06 -0.72 0.00 0.27 -4.89 105.19 101.14 1bxb n GLY 384 Ca 0.08 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.93 1.61 2.07 -1.21 -3.46 116.25 111.33 1bxb h VAL 385 Ca -0.17 -0.51 -0.58 0.00 0.82 0.00 0.00 66.70 66.25 1bxb h VAL 385 Cb 0.75 1.04 -0.22 0.00 -1.52 0.00 0.00 31.29 31.34 1bxb h VAL 385 CO 0.23 0.00 -0.84 -0.13 0.02 0.00 0.00 177.57 176.86 1bxb s ARG 386 N -3.18 1.18 0.00 1.57 0.52 -1.16 -5.00 118.95 112.89 1bxb s ARG 386 Ca 0.05 -1.20 0.24 0.00 -0.52 0.00 0.00 55.73 54.31 1bxb s ARG 386 Cb 0.13 -1.49 1.42 0.00 0.52 0.00 0.00 34.95 35.53 1bxb s ARG 386 CO 0.74 0.35 1.79 0.41 0.02 0.00 0.00 175.30 178.61