#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 3.32 -3.71 3.17 4.01 -1.26 -5.02 117.16 117.66 1bxb n TYR 2 Ca 0.00 -2.97 -0.35 0.00 -0.16 0.00 0.00 57.90 54.42 1bxb n TYR 2 Cb 0.00 -0.22 -0.08 0.00 -0.31 0.00 0.00 39.34 38.72 1bxb n TYR 2 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1bxb s GLU 3 N -3.60 4.17 0.28 -0.72 0.41 -1.26 -4.71 118.70 113.27 1bxb s GLU 3 Ca 0.49 -0.23 -0.30 0.00 -0.41 0.00 0.00 54.97 54.53 1bxb s GLU 3 Cb 0.41 -3.45 -0.11 0.00 -1.78 0.00 0.00 34.13 29.21 1bxb s GLU 3 CO -0.19 0.25 1.48 -2.14 -0.49 0.00 0.00 175.26 174.17 1bxb s PRO 4 N 0.51 4.21 0.24 0.39 0.02 -1.26 -5.03 135.00 134.08 1bxb s PRO 4 Ca 0.08 2.41 0.09 0.00 0.02 0.00 0.00 61.00 63.60 1bxb s PRO 4 Cb -0.12 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 1bxb s PRO 4 CO -0.01 -0.47 -0.15 0.15 -0.33 0.00 0.00 177.00 176.19 1bxb s LYS 5 N -0.75 1.48 0.46 5.54 1.02 -1.26 -4.84 119.74 121.39 1bxb s LYS 5 Ca 0.59 -1.68 0.23 0.00 0.02 0.00 0.00 55.97 55.13 1bxb s LYS 5 Cb -0.44 -1.34 1.10 0.00 -0.52 0.00 0.00 37.83 36.63 1bxb s LYS 5 CO 0.48 0.21 1.92 -1.00 -0.92 0.00 0.00 175.35 176.04 1bxb h PRO 6 N 2.42 0.00 0.00 -1.68 0.13 -1.92 -1.46 132.00 129.50 1bxb h PRO 6 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1bxb h PRO 6 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1bxb h PRO 6 CO 0.62 0.22 0.00 -0.85 -0.23 0.00 0.00 178.00 177.76 1bxb n GLU 7 N -3.60 0.12 0.22 0.86 0.00 -1.26 -1.84 120.64 115.14 1bxb n GLU 7 Ca -0.01 0.29 0.11 0.00 0.00 0.00 0.00 57.16 57.55 1bxb n GLU 7 Cb 0.35 -1.70 0.44 0.00 0.00 0.00 0.00 31.44 30.53 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 -1.66 -3.48 115.15 106.13 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 0.39 0.00 0.11 0.00 1.06 0.00 0.00 27.41 28.97 1bxb h HIS 8 CO 0.00 0.20 -0.71 0.54 0.86 0.00 0.00 177.93 178.82 1bxb n ARG 9 N -3.31 -7.34 -2.53 2.45 1.74 -0.77 -4.57 116.66 102.34 1bxb n ARG 9 Ca 0.01 0.79 -0.42 0.00 -0.77 0.00 0.00 57.85 57.46 1bxb n ARG 9 Cb 0.44 -5.80 -0.03 0.00 -1.02 0.00 0.00 32.46 26.05 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 3.48 0.20 -1.55 0.08 -1.26 -0.68 117.98 114.92 1bxb s PHE 10 Ca 0.50 1.43 0.07 0.00 0.12 0.00 0.00 56.93 59.05 1bxb s PHE 10 Cb -0.23 -3.32 -0.05 0.00 -0.57 0.00 0.00 43.02 38.86 1bxb s PHE 10 CO 0.75 -0.84 -0.11 0.95 -0.10 0.00 0.00 175.22 175.87 1bxb s THR 11 N 1.23 1.56 -0.01 0.64 -4.23 -0.69 -0.22 115.64 113.91 1bxb s THR 11 Ca 0.56 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1bxb s THR 11 Cb -0.26 -2.08 0.01 0.00 1.34 0.00 0.00 72.50 71.52 1bxb s THR 11 CO 0.27 -0.57 -0.00 -0.36 -0.54 0.00 0.00 174.62 173.42 1bxb s PHE 12 N -3.08 0.19 0.62 3.99 0.40 -1.08 -2.15 117.98 116.87 1bxb s PHE 12 Ca 0.23 0.01 -0.16 0.00 -0.60 0.00 0.00 56.93 56.40 1bxb s PHE 12 Cb 0.01 -0.23 -0.02 0.00 0.51 0.00 0.00 43.02 43.29 1bxb s PHE 12 CO 0.06 -0.06 1.11 0.20 0.70 0.00 0.00 175.22 177.24 1bxb s GLY 13 N 0.50 2.29 0.34 4.36 0.00 -1.26 -1.74 107.32 111.80 1bxb s GLY 13 Ca -0.05 0.61 0.04 0.00 0.00 0.00 0.00 44.72 45.32 1bxb s GLY 13 CO -0.01 0.96 1.95 1.41 0.00 0.00 0.00 173.10 177.41 1bxb h LEU 14 N 0.39 0.75 -0.18 0.66 3.38 -1.38 -1.93 115.31 117.00 1bxb h LEU 14 Ca -0.48 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1bxb h LEU 14 Cb 1.25 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1bxb h LEU 14 CO 0.55 0.49 0.00 -2.67 0.09 0.00 0.00 178.44 176.90 1bxb n TRP 15 N -4.47 0.27 0.00 1.13 2.14 -1.26 -1.42 117.44 113.82 1bxb n TRP 15 Ca 0.11 0.10 0.00 0.00 2.07 0.00 0.00 57.50 59.78 1bxb n TRP 15 Cb 0.19 -0.66 0.00 0.00 -0.81 0.00 0.00 31.31 30.03 1bxb n TRP 15 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1bxb n THR 16 N -1.74 0.00 0.31 -1.67 -2.24 -0.72 -2.78 114.28 105.44 1bxb n THR 16 Ca 0.04 0.45 0.16 0.00 -2.27 0.00 0.00 64.05 62.43 1bxb n THR 16 Cb 0.22 -1.37 0.68 0.00 -2.10 0.00 0.00 70.33 67.76 1bxb n THR 16 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1bxb h VAL 17 N 0.00 0.00 -0.01 2.28 -1.51 -1.69 -2.73 116.25 112.59 1bxb h VAL 17 Ca 0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1bxb h VAL 17 Cb 0.00 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1bxb h VAL 17 CO 0.00 0.00 -0.08 0.61 -1.23 0.00 0.00 177.57 176.87 1bxb n GLY 18 N -0.12 -0.72 3.71 5.19 0.00 -0.51 -4.89 105.19 107.85 1bxb n GLY 18 Ca 0.01 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.69 3.84 -0.59 1.61 5.15 -1.03 -4.66 115.26 118.90 1bxb n ASN 19 Ca 0.17 1.05 0.12 0.00 -0.60 0.00 0.00 54.58 55.33 1bxb n ASN 19 Cb 0.27 -1.54 0.42 0.00 -0.53 0.00 0.00 39.78 38.39 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 3.98 0.11 -0.77 3.44 0.24 -1.26 -4.91 118.33 119.16 1bxb n VAL 20 Ca 0.17 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1bxb n VAL 20 Cb 0.34 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.27 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 1.19 0.55 3.74 7.63 0.00 -1.26 -1.04 105.19 116.00 1bxb n GLY 21 Ca 0.18 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.19 4.73 0.28 1.61 3.52 -1.26 -4.03 118.95 122.60 1bxb s ARG 22 Ca 0.00 1.42 0.04 0.00 -0.13 0.00 0.00 55.73 57.06 1bxb s ARG 22 Cb 0.00 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1bxb s ARG 22 CO 0.00 0.33 0.16 -0.40 -0.81 0.00 0.00 175.30 174.57 1bxb n ASP 23 N 2.35 0.33 0.05 -2.12 5.68 -1.03 -4.97 116.55 116.83 1bxb n ASP 23 Ca 0.00 -2.62 0.08 0.00 -0.50 0.00 0.00 54.79 51.75 1bxb n ASP 23 Cb 0.49 1.00 0.35 0.00 -1.14 0.00 0.00 41.12 41.82 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 -0.58 0.07 -0.04 0.11 -0.02 -1.26 -2.60 135.00 130.68 1bxb n PRO 24 Ca 0.01 0.35 0.04 0.00 -2.02 0.00 0.00 63.50 61.88 1bxb n PRO 24 Cb 0.45 -1.64 0.06 0.00 -0.02 0.00 0.00 33.50 32.35 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 -1.78 0.00 -3.61 6.00 3.72 -1.26 -5.06 117.46 115.47 1bxb n PHE 25 Ca 0.02 -0.69 -0.16 0.00 -0.05 0.00 0.00 57.45 56.58 1bxb n PHE 25 Cb 0.17 -0.09 -0.07 0.00 -0.94 0.00 0.00 39.48 38.55 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 -1.78 -0.48 0.79 1.37 0.00 -1.07 -5.16 107.32 100.99 1bxb s GLY 26 Ca 0.14 1.33 -0.11 0.00 0.00 0.00 0.00 44.72 46.09 1bxb s GLY 26 CO 0.01 1.04 1.09 0.99 0.00 0.00 0.00 173.10 176.24 1bxb s ASP 27 N -0.66 4.36 0.38 1.64 1.01 -1.26 -2.48 116.67 119.67 1bxb s ASP 27 Ca -0.07 1.82 -0.27 0.00 0.71 0.00 0.00 52.55 54.74 1bxb s ASP 27 Cb -0.02 -2.51 -0.11 0.00 1.01 0.00 0.00 42.92 41.29 1bxb s ASP 27 CO 0.06 -2.13 1.38 0.00 0.21 0.00 0.00 175.17 174.69 1bxb n ALA 28 N -3.58 1.80 0.48 5.23 0.00 -1.26 -4.36 120.51 118.81 1bxb n ALA 28 Ca 0.09 0.32 0.05 0.00 0.00 0.00 0.00 53.44 53.90 1bxb n ALA 28 Cb 0.53 -2.34 -0.04 0.00 0.00 0.00 0.00 19.45 17.61 1bxb n ALA 28 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1bxb n VAL 29 N 0.20 0.00 -4.38 0.00 0.24 -0.21 -4.89 118.33 109.29 1bxb n VAL 29 Ca 0.04 -0.31 -0.19 0.00 -2.04 0.00 0.00 64.34 61.84 1bxb n VAL 29 Cb 0.38 1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 33.70 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 -1.77 1.43 0.26 7.34 0.52 -0.52 -4.96 118.95 121.26 1bxb s ARG 30 Ca 0.06 -1.70 -0.16 0.00 -0.52 0.00 0.00 55.73 53.41 1bxb s ARG 30 Cb 0.08 -1.02 -0.08 0.00 0.52 0.00 0.00 34.95 34.45 1bxb s ARG 30 CO 0.36 0.05 0.69 -1.21 0.02 0.00 0.00 175.30 175.22 1bxb s GLU 31 N -3.73 4.07 0.19 3.54 0.41 -1.26 -4.80 118.70 117.12 1bxb s GLU 31 Ca 0.27 0.69 -0.31 0.00 -0.41 0.00 0.00 54.97 55.20 1bxb s GLU 31 Cb 0.03 -2.68 -0.10 0.00 -1.78 0.00 0.00 34.13 29.60 1bxb s GLU 31 CO 0.09 0.30 1.59 0.50 -0.49 0.00 0.00 175.26 177.25 1bxb s ARG 32 N -2.47 4.20 0.08 1.61 3.52 -1.26 -4.89 118.95 119.73 1bxb s ARG 32 Ca 0.47 2.42 -0.02 0.00 -0.13 0.00 0.00 55.73 58.47 1bxb s ARG 32 Cb -0.13 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.09 1bxb s ARG 32 CO 0.19 -0.62 0.27 -0.51 -0.81 0.00 0.00 175.30 173.83 1bxb s LEU 33 N 0.90 4.33 0.03 -0.88 1.43 -1.26 -5.09 118.68 118.14 1bxb s LEU 33 Ca 0.69 0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 53.91 1bxb s LEU 33 Cb -0.45 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 1bxb s LEU 33 CO 0.34 0.14 0.98 -0.62 0.23 0.00 0.00 176.35 177.41 1bxb s ASP 34 N -2.38 7.40 0.32 2.29 2.15 -1.26 -4.95 116.67 120.24 1bxb s ASP 34 Ca 0.36 1.70 0.11 0.00 0.43 0.00 0.00 52.55 55.14 1bxb s ASP 34 Cb -0.13 -2.57 0.94 0.00 -0.30 0.00 0.00 42.92 40.86 1bxb s ASP 34 CO 0.25 -0.22 1.70 -0.65 -0.17 0.00 0.00 175.17 176.09 1bxb h PRO 35 N 6.51 0.46 -0.13 4.34 0.11 -1.98 0.52 132.00 141.84 1bxb h PRO 35 Ca -0.41 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.52 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 0.74 0.30 -0.57 0.28 -0.21 0.00 0.00 178.00 178.54 1bxb h VAL 36 N 0.47 1.35 -0.46 3.15 2.07 -1.96 -2.02 116.25 118.86 1bxb h VAL 36 Ca 0.67 -1.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.26 1bxb h VAL 36 Cb 1.37 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 1bxb h VAL 36 CO -0.53 0.57 0.07 0.22 0.02 0.00 0.00 177.57 177.92 1bxb h TYR 37 N 0.30 0.81 0.00 1.57 3.20 -1.35 -2.53 116.97 118.98 1bxb h TYR 37 Ca 0.00 -0.11 -0.11 0.00 3.14 0.00 0.00 58.73 61.64 1bxb h TYR 37 Cb 1.09 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 1bxb h TYR 37 CO 0.03 0.76 -0.55 -0.39 -1.64 0.00 0.00 178.16 176.38 1bxb h VAL 38 N 0.63 1.22 -0.46 1.81 -1.51 -0.98 -2.07 116.25 114.90 1bxb h VAL 38 Ca 0.14 -1.99 0.02 0.00 -1.23 0.00 0.00 66.70 63.63 1bxb h VAL 38 Cb 0.39 2.13 -0.03 0.00 -2.13 0.00 0.00 31.29 31.65 1bxb h VAL 38 CO 0.01 0.54 0.28 0.58 -1.23 0.00 0.00 177.57 177.74 1bxb h VAL 39 N 0.00 1.06 -0.54 7.19 2.07 -1.28 0.41 116.25 125.16 1bxb h VAL 39 Ca -0.01 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 1bxb h VAL 39 Cb 1.09 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1bxb h VAL 39 CO 0.07 0.10 0.01 0.45 0.02 0.00 0.00 177.57 178.22 1bxb h HIS 40 N 0.56 0.98 0.07 1.57 -0.00 -1.29 -1.94 115.15 115.10 1bxb h HIS 40 Ca 0.18 -0.15 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1bxb h HIS 40 Cb -0.01 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.14 1bxb h HIS 40 CO -0.06 0.88 -0.03 0.87 -0.00 0.00 0.00 177.93 179.58 1bxb h LYS 41 N 0.84 -0.09 -0.85 2.45 1.79 -0.93 -2.07 116.57 117.71 1bxb h LYS 41 Ca 0.16 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.69 1bxb h LYS 41 Cb 0.49 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.10 1bxb h LYS 41 CO 0.02 0.09 0.54 -0.07 -1.08 0.00 0.00 179.45 178.95 1bxb h LEU 42 N -0.26 0.87 -0.45 2.94 3.38 -0.86 -0.19 115.31 120.73 1bxb h LEU 42 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1bxb h LEU 42 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1bxb h LEU 42 CO 0.02 0.57 0.25 0.00 0.09 0.00 0.00 178.44 179.37 1bxb h ALA 43 N 1.38 0.58 -0.26 1.53 0.00 -1.34 -0.82 119.26 120.34 1bxb h ALA 43 Ca 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1bxb h ALA 43 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1bxb h ALA 43 CO -0.15 0.10 0.14 1.49 0.00 0.00 0.00 179.25 180.83 1bxb h GLU 44 N 0.60 0.34 0.00 0.00 4.81 -0.61 -2.39 114.58 117.33 1bxb h GLU 44 Ca 0.16 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1bxb h GLU 44 Cb 0.04 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1bxb h GLU 44 CO -0.03 0.25 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.22 1bxb h LEU 45 N 0.35 0.00 0.00 1.64 4.07 0.26 -3.47 115.31 118.16 1bxb h LEU 45 Ca 0.09 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1bxb h LEU 45 Cb 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1bxb h LEU 45 CO -0.02 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 1bxb n GLY 46 N 1.21 1.02 3.74 0.83 0.00 -0.48 -4.77 105.19 106.74 1bxb n GLY 46 Ca 0.04 0.00 -0.33 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 2.21 -0.10 4.61 0.00 -0.62 -4.43 121.76 121.42 1bxb s ALA 47 Ca 0.00 0.67 0.08 0.00 0.00 0.00 0.00 51.96 52.72 1bxb s ALA 47 Cb 0.00 -3.39 -0.24 0.00 0.00 0.00 0.00 23.12 19.49 1bxb s ALA 47 CO 0.00 -1.71 0.43 0.98 0.00 0.00 0.00 175.76 175.46 1bxb n TYR 48 N -2.80 0.81 -3.90 0.00 9.36 0.69 -4.67 117.16 116.65 1bxb n TYR 48 Ca 0.12 0.25 -0.09 0.00 3.32 0.00 0.00 57.90 61.50 1bxb n TYR 48 Cb 0.51 -1.13 -0.02 0.00 -0.63 0.00 0.00 39.34 38.07 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 -5.38 0.30 0.01 2.98 0.00 -1.16 -2.05 107.32 102.01 1bxb s GLY 49 Ca -0.12 -0.65 0.04 0.00 0.00 0.00 0.00 44.72 43.99 1bxb s GLY 49 CO 0.80 -0.35 -0.12 0.54 0.00 0.00 0.00 173.10 173.97 1bxb s VAL 50 N -3.49 0.92 0.35 1.40 0.11 0.12 -2.63 120.40 117.18 1bxb s VAL 50 Ca 0.16 -0.64 0.08 0.00 -2.93 0.00 0.00 61.98 58.66 1bxb s VAL 50 Cb -0.04 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1bxb s VAL 50 CO 0.10 0.15 0.16 0.20 -3.33 0.00 0.00 175.10 172.38 1bxb s ASN 51 N -0.55 4.68 -0.07 3.54 0.02 -0.71 -3.81 114.94 118.04 1bxb s ASN 51 Ca 0.03 -0.79 -0.30 0.00 -1.02 0.00 0.00 52.86 50.78 1bxb s ASN 51 Cb -0.05 -0.71 0.07 0.00 0.02 0.00 0.00 41.25 40.58 1bxb s ASN 51 CO 0.00 -0.33 0.67 -1.48 0.02 0.00 0.00 177.10 175.97 1bxb s LEU 52 N -3.86 -0.59 0.60 0.60 0.05 -1.15 -0.86 118.68 113.47 1bxb s LEU 52 Ca 0.38 0.76 -0.09 0.00 0.05 0.00 0.00 54.13 55.23 1bxb s LEU 52 Cb -0.02 2.47 -0.02 0.00 -2.05 0.00 0.00 46.19 46.57 1bxb s LEU 52 CO 0.23 -0.57 0.98 -1.00 -0.55 0.00 0.00 176.35 175.44 1bxb s HIS 53 N -1.05 3.52 0.24 3.48 3.76 -1.26 -2.28 115.29 121.71 1bxb s HIS 53 Ca -0.10 1.08 -0.05 0.00 -0.15 0.00 0.00 55.06 55.84 1bxb s HIS 53 Cb -0.01 -2.70 0.38 0.00 1.11 0.00 0.00 32.58 31.37 1bxb s HIS 53 CO 0.09 -0.71 1.80 0.38 -0.85 0.00 0.00 174.74 175.44 1bxb h ASP 54 N -0.25 0.59 0.83 1.40 2.03 -1.87 -1.91 116.42 117.23 1bxb h ASP 54 Ca -0.45 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 1bxb h ASP 54 Cb 1.21 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1bxb h ASP 54 CO 0.62 0.33 -0.02 -0.62 -1.03 0.00 0.00 179.24 178.53 1bxb n GLU 55 N -4.79 0.16 0.13 4.15 1.02 -1.25 -0.64 120.64 119.41 1bxb n GLU 55 Ca 0.13 -0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.26 1bxb n GLU 55 Cb 0.29 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.02 0.15 0.00 1.62 3.32 -1.73 -3.36 116.42 116.43 1bxb h ASP 56 Ca 0.00 -0.06 -0.26 0.00 0.02 0.00 0.00 57.03 56.72 1bxb h ASP 56 Cb 0.43 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 1bxb h ASP 56 CO 0.00 0.56 -2.00 -0.11 -1.72 0.00 0.00 179.24 175.97 1bxb n LEU 57 N -4.01 2.22 -3.82 1.55 7.94 -0.95 -4.94 117.00 114.99 1bxb n LEU 57 Ca -0.02 -0.07 -0.29 0.00 -1.11 0.00 0.00 56.01 54.52 1bxb n LEU 57 Cb 0.48 -0.38 -0.16 0.00 0.53 0.00 0.00 43.42 43.90 1bxb n LEU 57 CO 0.41 0.68 -0.37 -0.63 -1.11 0.00 0.00 177.39 176.37 1bxb s ILE 58 N -2.35 1.08 0.63 1.96 1.01 0.19 -5.00 121.20 118.72 1bxb s ILE 58 Ca -0.20 -1.17 -0.18 0.00 0.00 0.00 0.00 60.65 59.11 1bxb s ILE 58 Cb 0.06 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 1bxb s ILE 58 CO 0.45 -0.35 1.25 -2.84 0.00 0.00 0.00 174.94 173.45 1bxb s PRO 59 N 1.56 2.68 0.20 2.79 0.02 -1.26 -3.91 135.00 137.08 1bxb s PRO 59 Ca 0.02 1.92 -0.33 0.00 0.02 0.00 0.00 61.00 62.63 1bxb s PRO 59 Cb -0.18 -1.88 -0.13 0.00 0.02 0.00 0.00 34.50 32.33 1bxb s PRO 59 CO -0.13 -1.46 1.58 0.54 -0.33 0.00 0.00 177.00 177.21 1bxb n ARG 60 N -1.87 2.32 -0.42 5.54 1.74 -1.26 -2.31 116.66 120.41 1bxb n ARG 60 Ca 0.15 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 58.06 1bxb n ARG 60 Cb 0.49 -2.60 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 3.19 0.72 3.68 -0.13 0.00 -1.26 -5.02 105.19 106.37 1bxb n GLY 61 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.72 3.01 0.36 2.61 2.01 -0.98 -4.97 115.64 114.98 1bxb s THR 62 Ca 0.00 0.30 -0.28 0.00 0.31 0.00 0.00 61.69 62.02 1bxb s THR 62 Cb 0.00 -3.19 -0.11 0.00 0.01 0.00 0.00 72.50 69.21 1bxb s THR 62 CO 0.00 -0.01 1.41 -2.16 -0.69 0.00 0.00 174.62 173.17 1bxb s PRO 63 N 3.40 4.18 0.00 4.92 0.04 -1.26 -4.78 135.00 141.50 1bxb s PRO 63 Ca 0.79 2.42 0.00 0.00 0.04 0.00 0.00 61.00 64.25 1bxb s PRO 63 Cb -0.41 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1bxb s PRO 63 CO 0.35 -0.41 0.43 -0.35 0.04 0.00 0.00 177.00 177.06 1bxb n PRO 64 N 0.55 0.76 -0.06 0.56 -0.04 -1.26 -0.77 135.00 134.75 1bxb n PRO 64 Ca 0.01 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.41 1bxb n PRO 64 Cb 0.40 -1.34 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.05 2.08 0.07 0.54 3.00 -1.26 -4.26 117.38 117.60 1bxb n GLN 65 Ca 0.00 -0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1bxb n GLN 65 Cb 0.17 -1.30 -0.13 0.00 0.00 0.00 0.00 30.24 28.98 1bxb n GLN 65 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1bxb h GLU 66 N 0.00 0.11 -0.39 -1.09 4.81 -1.31 -3.18 114.58 113.53 1bxb h GLU 66 Ca -0.31 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 58.76 1bxb h GLU 66 Cb 1.71 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 31.12 1bxb h GLU 66 CO 0.02 1.07 0.16 -0.09 -0.73 0.00 0.00 179.01 179.44 1bxb h ARG 67 N 0.03 0.33 0.00 1.92 2.43 -1.54 -0.86 114.38 116.70 1bxb h ARG 67 Ca -0.08 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 1bxb h ARG 67 Cb 1.87 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.33 1bxb h ARG 67 CO 0.16 0.22 -0.44 -0.44 -1.51 0.00 0.00 179.97 177.96 1bxb h ASP 68 N 0.34 0.00 -0.15 -3.80 3.32 -1.74 -0.65 116.42 113.74 1bxb h ASP 68 Ca 0.17 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 1bxb h ASP 68 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1bxb h ASP 68 CO -0.15 0.44 -0.37 -0.61 -1.72 0.00 0.00 179.24 176.83 1bxb h GLN 69 N 0.00 0.67 -0.04 3.56 5.75 -1.38 -2.33 115.11 121.35 1bxb h GLN 69 Ca -0.00 -0.33 -0.01 0.00 -0.15 0.00 0.00 58.65 58.15 1bxb h GLN 69 Cb 0.90 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.45 1bxb h GLN 69 CO 0.06 0.94 -0.02 0.82 -2.65 0.00 0.00 178.83 177.97 1bxb h ILE 70 N 0.56 1.34 -0.71 2.39 2.04 -0.29 -2.70 117.51 120.14 1bxb h ILE 70 Ca 0.05 -1.05 0.07 0.00 1.00 0.00 0.00 64.86 64.93 1bxb h ILE 70 Cb 0.89 1.98 -0.06 0.00 -0.74 0.00 0.00 36.82 38.88 1bxb h ILE 70 CO 0.08 0.28 0.39 0.58 0.00 0.00 0.00 178.15 179.48 1bxb h VAL 71 N -0.33 0.93 -0.29 1.67 2.07 -1.16 -1.06 116.25 118.09 1bxb h VAL 71 Ca 0.01 -0.24 -0.17 0.00 0.82 0.00 0.00 66.70 67.12 1bxb h VAL 71 Cb 0.47 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1bxb h VAL 71 CO 0.01 0.13 -0.49 0.08 0.02 0.00 0.00 177.57 177.31 1bxb h ARG 72 N 0.70 0.78 -0.63 1.57 -0.00 -1.45 0.19 114.38 115.55 1bxb h ARG 72 Ca 0.33 -0.46 -0.01 0.00 -0.00 0.00 0.00 59.98 59.84 1bxb h ARG 72 Cb 0.25 0.04 -0.03 0.00 -0.00 0.00 0.00 29.97 30.23 1bxb h ARG 72 CO -0.21 1.09 0.36 -0.09 -0.00 0.00 0.00 179.97 181.12 1bxb h ARG 73 N 0.62 0.87 -0.43 0.08 1.12 -1.30 -0.95 114.38 114.38 1bxb h ARG 73 Ca 0.03 -0.09 -0.05 0.00 -1.11 0.00 0.00 59.98 58.75 1bxb h ARG 73 Cb 1.07 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 30.84 1bxb h ARG 73 CO 0.11 0.64 0.06 0.35 -3.11 0.00 0.00 179.97 178.02 1bxb h PHE 74 N 0.86 0.77 -0.31 2.20 3.57 -0.75 -2.70 116.94 120.58 1bxb h PHE 74 Ca 0.22 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1bxb h PHE 74 Cb 0.01 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1bxb h PHE 74 CO -0.01 0.74 0.07 0.87 -2.23 0.00 0.00 178.31 177.74 1bxb h LYS 75 N 0.57 0.44 -0.28 1.11 1.57 -0.41 -2.15 116.57 117.43 1bxb h LYS 75 Ca 0.13 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1bxb h LYS 75 Cb 0.39 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1bxb h LYS 75 CO 0.01 0.42 0.13 0.87 -0.57 0.00 0.00 179.45 180.31 1bxb h LYS 76 N 0.44 0.27 -0.59 3.15 1.79 -0.86 -0.25 116.57 120.51 1bxb h LYS 76 Ca 0.10 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.52 1bxb h LYS 76 Cb 0.18 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 1bxb h LYS 76 CO -0.00 0.18 0.20 0.00 -1.08 0.00 0.00 179.45 178.74 1bxb h ALA 77 N 1.15 1.24 -0.40 3.86 0.00 -1.17 0.81 119.26 124.75 1bxb h ALA 77 Ca 0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1bxb h ALA 77 Cb 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1bxb h ALA 77 CO -0.09 0.54 -0.05 -0.07 0.00 0.00 0.00 179.25 179.58 1bxb h LEU 78 N 0.85 0.73 -0.12 0.00 3.38 -1.10 -0.51 115.31 118.54 1bxb h LEU 78 Ca 0.20 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1bxb h LEU 78 Cb 0.23 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1bxb h LEU 78 CO -0.01 0.89 -0.05 0.44 0.09 0.00 0.00 178.44 179.80 1bxb h ASP 79 N 0.55 -0.18 -0.76 -0.43 3.32 -0.50 0.63 116.42 119.05 1bxb h ASP 79 Ca 0.11 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.23 1bxb h ASP 79 Cb 0.55 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.16 1bxb h ASP 79 CO 0.03 -0.07 0.49 -0.33 -1.72 0.00 0.00 179.24 177.63 1bxb h GLU 80 N -0.04 0.93 0.00 3.56 5.08 -0.66 -3.15 114.58 120.30 1bxb h GLU 80 Ca 0.07 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 1bxb h GLU 80 Cb 0.14 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1bxb h GLU 80 CO -0.15 0.62 -1.61 0.25 -1.00 0.00 0.00 179.01 177.12 1bxb n THR 81 N -4.61 1.07 -0.88 1.13 -2.24 -0.22 -4.98 114.28 103.56 1bxb n THR 81 Ca 0.09 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1bxb n THR 81 Cb 0.08 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 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 1.42 0.56 3.77 3.38 0.00 0.22 -5.02 105.19 109.52 1bxb n GLY 82 Ca -0.12 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 4.19 0.26 0.99 1.43 -1.18 -4.99 118.68 119.37 1bxb s LEU 83 Ca 0.00 2.27 0.01 0.00 -1.03 0.00 0.00 54.13 55.38 1bxb s LEU 83 Cb 0.00 -4.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.13 1bxb s LEU 83 CO 0.00 -0.62 0.43 -0.54 0.23 0.00 0.00 176.35 175.85 1bxb s LYS 84 N -2.33 3.49 -0.66 1.70 -0.14 -0.87 -4.77 119.74 116.16 1bxb s LYS 84 Ca 0.57 -0.43 -0.05 0.00 -1.36 0.00 0.00 55.97 54.70 1bxb s LYS 84 Cb -0.29 -2.79 0.17 0.00 -1.68 0.00 0.00 37.83 33.24 1bxb s LYS 84 CO 0.36 0.33 0.50 0.08 -0.76 0.00 0.00 175.35 175.86 1bxb s VAL 85 N -2.03 4.10 0.11 3.17 1.01 -1.26 -0.70 120.40 124.80 1bxb s VAL 85 Ca 0.38 -2.83 0.16 0.00 0.00 0.00 0.00 61.98 59.68 1bxb s VAL 85 Cb -0.10 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 32.71 1bxb s VAL 85 CO 0.31 -0.90 1.62 -0.65 0.00 0.00 0.00 175.10 175.48 1bxb h PRO 86 N 7.21 0.00 -3.33 2.72 0.11 -1.88 -3.15 132.00 133.69 1bxb h PRO 86 Ca 0.00 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.92 1bxb h PRO 86 Cb 0.97 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.81 1bxb h PRO 86 CO 0.72 0.49 -0.54 1.41 -0.21 0.00 0.00 178.00 179.87 1bxb s MET 87 N -3.40 0.17 0.22 1.05 -2.45 -1.26 -1.26 119.30 112.37 1bxb s MET 87 Ca 0.01 0.25 0.04 0.00 -1.25 0.00 0.00 55.69 54.74 1bxb s MET 87 Cb 0.10 0.05 -0.05 0.00 1.25 0.00 0.00 34.83 36.18 1bxb s MET 87 CO 0.72 -0.04 -0.04 0.14 1.05 0.00 0.00 175.02 176.85 1bxb s VAL 88 N 0.26 1.16 -0.24 10.11 -7.23 -1.01 -2.93 120.40 120.52 1bxb s VAL 88 Ca -0.01 -2.06 -0.25 0.00 -1.81 0.00 0.00 61.98 57.85 1bxb s VAL 88 Cb -0.03 -2.24 0.07 0.00 0.56 0.00 0.00 36.38 34.75 1bxb s VAL 88 CO -0.01 -0.42 0.70 0.28 -0.31 0.00 0.00 175.10 175.34 1bxb s THR 89 N -3.33 0.00 0.35 5.32 -1.32 -0.97 -2.08 115.64 113.61 1bxb s THR 89 Ca 0.26 -0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.46 1bxb s THR 89 Cb 0.04 -0.99 -0.09 0.00 -1.51 0.00 0.00 72.50 69.96 1bxb s THR 89 CO 0.07 -0.00 1.17 0.00 -2.21 0.00 0.00 174.62 173.65 1bxb s ALA 90 N 0.22 3.30 -0.57 11.08 0.00 -1.26 -2.82 121.76 131.71 1bxb s ALA 90 Ca -0.01 0.99 -0.28 0.00 0.00 0.00 0.00 51.96 52.66 1bxb s ALA 90 Cb -0.04 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.72 1bxb s ALA 90 CO 0.02 -0.42 1.29 1.21 0.00 0.00 0.00 175.76 177.86 1bxb s ASN 91 N -0.94 6.32 -0.34 0.00 3.84 -1.26 -4.85 114.94 117.70 1bxb s ASN 91 Ca 0.51 0.21 0.07 0.00 0.21 0.00 0.00 52.86 53.86 1bxb s ASN 91 Cb -0.32 -2.55 0.53 0.00 -0.55 0.00 0.00 41.25 38.36 1bxb s ASN 91 CO 0.42 -1.57 1.57 0.18 -2.79 0.00 0.00 177.10 174.91 1bxb n LEU 92 N 8.88 4.87 0.00 3.21 4.77 -1.26 -4.67 117.00 132.81 1bxb n LEU 92 Ca 0.10 -3.85 0.00 0.00 -0.03 0.00 0.00 56.01 52.23 1bxb n LEU 92 Cb 0.49 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1bxb n LEU 92 CO 0.71 1.30 -0.24 2.22 -1.33 0.00 0.00 177.39 180.05 1bxb n PHE 93 N -1.10 0.00 -0.03 -1.77 1.16 -1.26 -4.63 117.46 109.83 1bxb n PHE 93 Ca 0.41 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.84 1bxb n PHE 93 Cb 1.13 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.89 1bxb n PHE 93 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 1bxb h SER 94 N 0.00 0.16 -2.37 5.98 0.02 -1.97 -3.45 113.55 111.91 1bxb h SER 94 Ca 0.00 -0.71 -0.58 0.00 -0.84 0.00 0.00 61.79 59.66 1bxb h SER 94 Cb 0.41 -0.05 0.06 0.00 0.14 0.00 0.00 62.40 62.97 1bxb h SER 94 CO 0.00 0.84 0.80 -0.67 -1.14 0.00 0.00 176.83 176.66 1bxb n ASP 95 N -4.61 3.15 0.30 3.07 -0.08 -1.26 -4.87 116.55 112.26 1bxb n ASP 95 Ca -0.09 1.09 0.19 0.00 -1.51 0.00 0.00 54.79 54.47 1bxb n ASP 95 Cb 0.43 -1.44 1.00 0.00 2.34 0.00 0.00 41.12 43.45 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 5.78 0.00 0.00 -0.67 0.11 -2.02 -0.73 132.00 134.47 1bxb h PRO 96 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1bxb h PRO 96 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1bxb h PRO 96 CO 0.88 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.62 1bxb h ALA 97 N 1.82 1.74 -0.20 -0.75 0.00 -1.96 -1.95 119.26 117.95 1bxb h ALA 97 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1bxb h ALA 97 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1bxb h ALA 97 CO -0.00 0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.49 1bxb n PHE 98 N -4.21 0.56 -0.02 0.00 3.72 -0.28 -4.47 117.46 112.77 1bxb n PHE 98 Ca -0.03 -0.21 0.06 0.00 -0.05 0.00 0.00 57.45 57.22 1bxb n PHE 98 Cb 0.13 -0.16 0.45 0.00 -0.94 0.00 0.00 39.48 38.95 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 1.32 0.50 -1.94 -1.08 2.10 -1.52 -1.87 116.57 114.08 1bxb h LYS 99 Ca 0.00 -0.03 -0.63 0.00 -2.00 0.00 0.00 60.65 57.99 1bxb h LYS 99 Cb 0.77 -0.11 -0.39 0.00 -0.90 0.00 0.00 32.23 31.60 1bxb h LYS 99 CO 0.11 0.33 -0.33 -3.47 -2.00 0.00 0.00 179.45 174.09 1bxb n ASP 100 N -4.48 5.19 0.00 7.07 2.03 -1.26 -5.07 116.55 120.04 1bxb n ASP 100 Ca 0.05 -3.72 0.00 0.00 0.52 0.00 0.00 54.79 51.64 1bxb n ASP 100 Cb 0.14 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 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 -0.36 2.16 0.12 0.27 0.00 -0.70 -3.58 105.19 103.11 1bxb n GLY 101 Ca 0.38 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1bxb n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxb n ALA 102 N 1.95 0.57 0.29 4.61 0.00 -1.26 -3.88 120.51 122.79 1bxb n ALA 102 Ca 0.00 -0.11 0.17 0.00 0.00 0.00 0.00 53.44 53.51 1bxb n ALA 102 Cb 0.00 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.27 0.00 0.04 -1.89 -3.06 116.94 111.75 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 0.04 0.00 0.25 -0.60 0.00 0.00 178.31 178.00 1bxb n THR 104 N -3.20 2.02 -2.16 -1.55 -2.24 -1.26 -4.45 114.28 101.44 1bxb n THR 104 Ca -0.01 -1.70 -0.41 0.00 -2.27 0.00 0.00 64.05 59.66 1bxb n THR 104 Cb 0.25 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 1bxb n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1bxb s SER 105 N -1.75 6.84 0.57 3.42 0.15 -1.16 -4.73 113.70 117.05 1bxb s SER 105 Ca 0.38 2.61 0.35 0.00 0.70 0.00 0.00 55.95 59.99 1bxb s SER 105 Cb 0.29 -2.64 1.60 0.00 -1.71 0.00 0.00 66.02 63.57 1bxb s SER 105 CO 0.10 -0.49 2.08 1.55 1.20 0.00 0.00 173.24 177.67 1bxb h PRO 106 N 3.70 0.00 -5.55 5.44 0.13 -1.92 -3.43 132.00 130.37 1bxb h PRO 106 Ca -0.48 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 1bxb h PRO 106 Cb 1.22 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 1bxb h PRO 106 CO 0.67 0.02 0.20 0.34 -0.23 0.00 0.00 178.00 179.00 1bxb s ASP 107 N -5.63 6.59 0.53 1.44 -1.08 -1.26 -4.95 116.67 112.30 1bxb s ASP 107 Ca -0.01 0.68 0.31 0.00 -0.52 0.00 0.00 52.55 53.01 1bxb s ASP 107 Cb 0.10 -2.35 1.38 0.00 -1.46 0.00 0.00 42.92 40.59 1bxb s ASP 107 CO 0.52 -0.42 2.00 1.55 0.52 0.00 0.00 175.17 179.35 1bxb h PRO 108 N 7.95 0.00 -0.49 4.34 0.13 -2.00 -1.14 132.00 140.79 1bxb h PRO 108 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1bxb h PRO 108 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1bxb h PRO 108 CO 0.79 0.09 0.22 -1.49 -0.23 0.00 0.00 178.00 177.38 1bxb h TRP 109 N 0.00 0.67 0.20 1.56 4.06 -1.96 0.16 115.95 120.64 1bxb h TRP 109 Ca -0.00 -0.02 -0.31 0.00 2.06 0.00 0.00 58.89 60.62 1bxb h TRP 109 Cb 0.48 -0.21 0.02 0.00 -1.00 0.00 0.00 29.16 28.45 1bxb h TRP 109 CO 0.00 0.51 -1.39 0.28 -3.56 0.00 0.00 178.44 174.28 1bxb h VAL 110 N 0.68 1.36 -0.57 1.49 2.07 -1.58 -0.67 116.25 119.04 1bxb h VAL 110 Ca 0.17 -2.85 -0.01 0.00 0.82 0.00 0.00 66.70 64.83 1bxb h VAL 110 Cb 0.09 2.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 1bxb h VAL 110 CO -0.02 0.85 0.33 0.03 0.02 0.00 0.00 177.57 178.78 1bxb h ARG 111 N 0.12 0.77 -0.28 1.57 3.08 -1.29 0.16 114.38 118.51 1bxb h ARG 111 Ca -0.21 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 1bxb h ARG 111 Cb 2.09 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.97 1bxb h ARG 111 CO 0.24 0.55 -0.01 0.00 -1.07 0.00 0.00 179.97 179.68 1bxb h ALA 112 N 1.58 0.38 -0.26 0.04 0.00 -0.81 -1.35 119.26 118.84 1bxb h ALA 112 Ca 0.20 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1bxb h ALA 112 Cb -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1bxb h ALA 112 CO -0.04 0.13 0.10 -0.92 0.00 0.00 0.00 179.25 178.53 1bxb h TYR 113 N 0.28 0.19 -0.57 0.00 3.20 -0.78 0.91 116.97 120.20 1bxb h TYR 113 Ca 0.08 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.98 1bxb h TYR 113 Cb 0.45 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 1bxb h TYR 113 CO 0.04 0.10 0.35 0.00 -1.64 0.00 0.00 178.16 177.00 1bxb h ALA 114 N 1.15 0.73 -0.49 1.82 0.00 -0.84 0.33 119.26 121.96 1bxb h ALA 114 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1bxb h ALA 114 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1bxb h ALA 114 CO -0.10 0.08 0.22 1.25 0.00 0.00 0.00 179.25 180.69 1bxb h LEU 115 N 0.69 0.66 0.04 0.00 5.85 -0.97 -2.54 115.31 119.04 1bxb h LEU 115 Ca 0.23 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1bxb h LEU 115 Cb 0.01 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1bxb h LEU 115 CO -0.09 0.63 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.53 1bxb h ARG 116 N 0.65 -0.05 -0.69 1.25 2.43 -0.25 -1.36 114.38 116.37 1bxb h ARG 116 Ca 0.17 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.44 1bxb h ARG 116 Cb 0.16 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1bxb h ARG 116 CO -0.02 -0.02 0.46 -0.22 -1.51 0.00 0.00 179.97 178.66 1bxb h LYS 117 N -0.07 0.53 -0.12 0.20 3.64 -0.97 -0.98 116.57 118.81 1bxb h LYS 117 Ca -0.01 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1bxb h LYS 117 Cb 0.05 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1bxb h LYS 117 CO 0.01 0.35 -0.25 0.77 -2.27 0.00 0.00 179.45 178.06 1bxb h SER 118 N 0.54 0.42 -0.75 4.20 0.02 -0.96 -1.87 113.55 115.16 1bxb h SER 118 Ca 0.32 -0.57 0.08 0.00 -0.84 0.00 0.00 61.79 60.79 1bxb h SER 118 Cb 0.52 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.87 1bxb h SER 118 CO -0.10 0.91 0.41 -0.07 -1.14 0.00 0.00 176.83 176.84 1bxb h LEU 119 N -0.05 0.58 -0.94 5.07 3.38 -0.33 -0.46 115.31 122.56 1bxb h LEU 119 Ca 0.00 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1bxb h LEU 119 Cb 0.85 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1bxb h LEU 119 CO 0.06 0.34 0.38 -0.33 0.09 0.00 0.00 178.44 178.97 1bxb h GLU 120 N 0.71 1.13 -0.06 1.13 5.08 -1.18 -0.52 114.58 120.87 1bxb h GLU 120 Ca 0.36 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.43 1bxb h GLU 120 Cb 0.32 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1bxb h GLU 120 CO -0.24 0.87 -0.54 1.15 -1.00 0.00 0.00 179.01 179.26 1bxb h THR 121 N 1.12 1.37 -0.42 1.13 2.02 -0.82 -1.33 112.91 115.99 1bxb h THR 121 Ca 0.27 -1.83 -0.03 0.00 0.77 0.00 0.00 66.41 65.59 1bxb h THR 121 Cb 0.12 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1bxb h THR 121 CO -0.03 0.54 0.14 0.24 0.37 0.00 0.00 175.52 176.77 1bxb h MET 122 N 0.12 0.65 -0.20 6.66 2.86 -0.23 -0.57 114.93 124.21 1bxb h MET 122 Ca 0.00 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1bxb h MET 122 Cb 0.99 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1bxb h MET 122 CO 0.08 0.63 0.10 -0.44 1.06 0.00 0.00 176.91 178.33 1bxb h ASP 123 N 0.54 0.14 -0.46 1.22 3.32 -0.93 -1.64 116.42 118.61 1bxb h ASP 123 Ca 0.14 0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.26 1bxb h ASP 123 Cb 0.24 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 1bxb h ASP 123 CO -0.01 0.11 0.16 0.25 -1.72 0.00 0.00 179.24 178.04 1bxb h LEU 124 N 0.21 0.17 -0.86 1.55 5.85 -1.11 -2.26 115.31 118.84 1bxb h LEU 124 Ca 0.08 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 1bxb h LEU 124 Cb 0.02 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1bxb h LEU 124 CO -0.06 0.13 0.00 1.23 -0.34 0.00 0.00 178.44 179.40 1bxb h GLY 125 N 0.33 0.91 0.81 3.75 0.00 -0.91 -2.29 103.07 105.67 1bxb h GLY 125 Ca 0.22 -0.62 0.04 0.00 0.00 0.00 0.00 47.33 46.97 1bxb h GLY 125 CO -0.23 0.57 0.48 0.00 0.00 0.00 0.00 176.54 177.37 1bxb h ALA 126 N 1.21 1.04 -0.94 3.60 0.00 -0.79 0.82 119.26 124.19 1bxb h ALA 126 Ca 0.15 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1bxb h ALA 126 Cb 0.47 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1bxb h ALA 126 CO 0.02 0.25 0.59 0.93 0.00 0.00 0.00 179.25 181.04 1bxb h GLU 127 N 0.92 1.00 -0.00 0.00 5.08 -0.88 -2.74 114.58 117.96 1bxb h GLU 127 Ca 0.32 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1bxb h GLU 127 Cb 0.08 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1bxb h GLU 127 CO -0.14 0.66 -0.36 1.28 -1.00 0.00 0.00 179.01 179.45 1bxb n LEU 128 N -4.59 0.42 0.00 1.33 4.77 -0.70 -4.95 117.00 113.28 1bxb n LEU 128 Ca 0.15 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1bxb n LEU 128 Cb 0.23 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1bxb n LEU 128 CO 0.30 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1bxb n GLY 129 N 1.48 0.73 3.77 -0.72 0.00 0.02 -4.47 105.19 106.00 1bxb n GLY 129 Ca 0.07 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 1bxb n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxb s ALA 130 N -2.00 3.14 -0.02 4.61 0.00 0.07 -4.82 121.76 122.75 1bxb s ALA 130 Ca 0.00 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.19 1bxb s ALA 130 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 1bxb s ALA 130 CO 0.00 -0.90 0.06 -0.85 0.00 0.00 0.00 175.76 174.07 1bxb n GLU 131 N -0.16 0.88 -5.02 0.00 0.28 -0.49 -4.66 120.64 111.47 1bxb n GLU 131 Ca 0.05 -0.02 -0.32 0.00 -0.16 0.00 0.00 57.16 56.71 1bxb n GLU 131 Cb 0.44 -1.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.17 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 -2.04 2.71 -0.18 3.84 1.01 -0.39 -1.93 121.20 124.21 1bxb s ILE 132 Ca -0.01 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.80 1bxb s ILE 132 Cb 0.02 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.47 1bxb s ILE 132 CO 0.10 0.58 -0.19 -0.47 0.00 0.00 0.00 174.94 174.96 1bxb s TYR 133 N -0.50 2.80 -0.08 3.97 6.14 -0.65 -2.40 117.35 126.63 1bxb s TYR 133 Ca 0.07 -1.61 -0.11 0.00 0.64 0.00 0.00 57.07 56.06 1bxb s TYR 133 Cb -0.12 -1.93 -0.05 0.00 0.42 0.00 0.00 41.96 40.28 1bxb s TYR 133 CO 0.01 -0.79 0.25 0.08 0.64 0.00 0.00 175.55 175.74 1bxb s VAL 134 N 1.30 5.31 -0.27 3.14 1.01 -0.89 -0.48 120.40 129.52 1bxb s VAL 134 Ca 0.05 0.48 -0.00 0.00 0.00 0.00 0.00 61.98 62.51 1bxb s VAL 134 Cb -0.13 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1bxb s VAL 134 CO -0.12 0.58 -0.06 -0.69 0.00 0.00 0.00 175.10 174.81 1bxb s VAL 135 N -0.91 2.64 -0.33 2.92 1.01 -0.77 -4.49 120.40 120.47 1bxb s VAL 135 Ca 0.18 -1.34 -0.10 0.00 0.00 0.00 0.00 61.98 60.72 1bxb s VAL 135 Cb -0.14 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1bxb s VAL 135 CO 0.07 0.04 0.18 0.86 0.00 0.00 0.00 175.10 176.25 1bxb s TRP 136 N 1.23 3.20 -1.28 5.22 -0.00 -1.26 -0.81 118.94 125.23 1bxb s TRP 136 Ca -0.04 -0.66 -0.07 0.00 -0.00 0.00 0.00 56.10 55.33 1bxb s TRP 136 Cb -0.19 -2.39 0.02 0.00 -0.00 0.00 0.00 33.47 30.91 1bxb s TRP 136 CO -0.04 -0.50 2.69 -0.35 -0.00 0.00 0.00 176.95 178.75 1bxb n PRO 137 N 5.00 3.97 0.28 5.86 -0.04 -1.26 -4.71 135.00 144.10 1bxb n PRO 137 Ca -0.13 -2.80 0.16 0.00 -0.04 0.00 0.00 63.50 60.69 1bxb n PRO 137 Cb 0.48 -2.61 0.81 0.00 -0.04 0.00 0.00 33.50 32.14 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 5.89 0.00 -0.88 0.55 0.00 -1.92 -1.24 103.07 105.47 1bxb h GLY 138 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.04 1bxb h GLY 138 CO 1.46 0.00 -0.24 -2.13 0.00 0.00 0.00 176.54 175.63 1bxb n ARG 139 N -3.38 1.60 -3.02 4.80 3.00 -1.26 -3.91 116.66 114.49 1bxb n ARG 139 Ca -0.01 -0.98 -0.44 0.00 -0.00 0.00 0.00 57.85 56.42 1bxb n ARG 139 Cb 0.23 -1.28 -0.01 0.00 0.00 0.00 0.00 32.46 31.40 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 -1.74 3.99 0.00 -0.14 0.41 -0.47 -2.97 118.70 117.78 1bxb s GLU 140 Ca 0.15 -2.51 0.00 0.00 -0.41 0.00 0.00 54.97 52.19 1bxb s GLU 140 Cb 0.13 -4.93 0.00 0.00 -1.78 0.00 0.00 34.13 27.55 1bxb s GLU 140 CO 0.35 -1.67 0.00 0.41 -0.49 0.00 0.00 175.26 173.86 1bxb n GLY 141 N 4.16 2.22 3.38 -1.39 0.00 -1.26 -1.22 105.19 111.08 1bxb n GLY 141 Ca 0.31 -0.82 -0.14 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 -1.25 0.00 4.61 0.00 -0.55 -4.84 121.76 118.73 1bxb s ALA 142 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1bxb s ALA 142 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1bxb s ALA 142 CO 0.00 -0.47 0.37 -0.85 0.00 0.00 0.00 175.76 174.81 1bxb n GLU 143 N 0.52 -0.61 -3.81 0.00 0.00 -1.26 -2.62 120.64 112.87 1bxb n GLU 143 Ca -0.19 -0.38 -0.30 0.00 0.00 0.00 0.00 57.16 56.30 1bxb n GLU 143 Cb 0.60 -0.85 -0.15 0.00 0.00 0.00 0.00 31.44 31.04 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 -0.02 1.17 -0.97 3.84 1.01 -1.26 -4.97 120.40 119.19 1bxb s VAL 144 Ca 0.00 -1.46 0.28 0.00 0.00 0.00 0.00 61.98 60.79 1bxb s VAL 144 Cb 0.00 -1.80 0.18 0.00 0.00 0.00 0.00 36.38 34.76 1bxb s VAL 144 CO 0.00 -0.55 1.77 1.21 0.00 0.00 0.00 175.10 177.53 1bxb n GLU 145 N 4.74 0.02 0.14 2.72 4.07 -1.26 -3.79 120.64 127.29 1bxb n GLU 145 Ca -0.03 0.01 0.10 0.00 -0.06 0.00 0.00 57.16 57.19 1bxb n GLU 145 Cb 0.43 -1.52 0.51 0.00 -0.06 0.00 0.00 31.44 30.80 1bxb n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bxb n ALA 146 N -1.53 1.20 0.16 4.31 0.00 -1.26 -1.66 120.51 121.73 1bxb n ALA 146 Ca 0.06 0.15 0.02 0.00 0.00 0.00 0.00 53.44 53.67 1bxb n ALA 146 Cb 0.35 -1.31 0.24 0.00 0.00 0.00 0.00 19.45 18.73 1bxb n ALA 146 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1bxb h THR 147 N 0.00 1.19 -0.12 0.00 1.35 -2.03 -3.47 112.91 109.83 1bxb h THR 147 Ca 0.00 -1.87 -0.05 0.00 -0.55 0.00 0.00 66.41 63.93 1bxb h THR 147 Cb 0.09 2.06 -0.02 0.00 -1.73 0.00 0.00 68.15 68.55 1bxb h THR 147 CO 0.00 0.50 -0.05 0.61 -0.25 0.00 0.00 175.52 176.34 1bxb n GLY 148 N 0.27 0.59 0.26 5.82 0.00 -0.67 -4.92 105.19 106.54 1bxb n GLY 148 Ca -0.01 -0.65 0.15 0.00 0.00 0.00 0.00 46.02 45.52 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 0.24 0.00 -0.05 1.61 3.64 -1.90 -3.00 116.57 117.10 1bxb h LYS 149 Ca -0.05 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1bxb h LYS 149 Cb 0.22 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1bxb h LYS 149 CO 0.08 0.04 0.08 0.00 -2.27 0.00 0.00 179.45 177.38 1bxb h ALA 150 N 1.96 1.47 0.00 5.00 0.00 -1.91 -0.19 119.26 125.58 1bxb h ALA 150 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bxb h ALA 150 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1bxb h ALA 150 CO 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 179.25 179.13 1bxb h ARG 151 N 0.00 0.00 0.00 0.00 2.47 -1.95 -3.36 114.38 111.54 1bxb h ARG 151 Ca 0.02 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.60 1bxb h ARG 151 Cb 0.19 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.48 1bxb h ARG 151 CO -0.00 0.01 -2.10 1.63 0.56 0.00 0.00 179.97 180.07 1bxb n LYS 152 N -3.10 0.71 0.22 0.04 5.02 -0.11 -4.59 118.16 116.36 1bxb n LYS 152 Ca 0.03 -0.12 0.09 0.00 -2.02 0.00 0.00 58.31 56.29 1bxb n LYS 152 Cb 0.47 -1.50 0.52 0.00 -0.02 0.00 0.00 35.03 34.51 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 0.78 -0.30 -0.18 -1.51 -1.65 -3.01 116.25 110.39 1bxb h VAL 153 Ca -0.21 -0.99 -0.08 0.00 -1.23 0.00 0.00 66.70 64.19 1bxb h VAL 153 Cb 1.45 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 32.21 1bxb h VAL 153 CO 0.01 0.24 -0.13 -0.50 -1.23 0.00 0.00 177.57 175.96 1bxb h TRP 154 N 0.00 0.70 -0.68 5.19 4.06 -1.83 -1.26 115.95 122.13 1bxb h TRP 154 Ca -0.00 -0.17 -0.06 0.00 2.06 0.00 0.00 58.89 60.72 1bxb h TRP 154 Cb 0.59 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.55 1bxb h TRP 154 CO 0.00 0.83 0.18 -0.44 -3.56 0.00 0.00 178.44 175.46 1bxb h ASP 155 N 0.36 1.02 -0.48 -3.49 3.32 -1.85 -1.69 116.42 113.62 1bxb h ASP 155 Ca 0.07 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1bxb h ASP 155 Cb 0.64 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1bxb h ASP 155 CO 0.04 0.97 0.17 -0.50 -1.72 0.00 0.00 179.24 178.21 1bxb h TRP 156 N 1.01 0.74 0.00 4.55 6.55 -1.37 -1.24 115.95 126.20 1bxb h TRP 156 Ca 0.22 -0.06 -0.04 0.00 0.95 0.00 0.00 58.89 59.96 1bxb h TRP 156 Cb 0.34 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.42 1bxb h TRP 156 CO 0.03 0.64 -0.17 -0.24 -1.05 0.00 0.00 178.44 177.65 1bxb h VAL 157 N 0.63 0.30 -0.09 1.49 3.04 -1.17 -2.44 116.25 118.00 1bxb h VAL 157 Ca 0.16 -1.34 -0.01 0.00 -1.01 0.00 0.00 66.70 64.49 1bxb h VAL 157 Cb 0.23 2.08 -0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1bxb h VAL 157 CO -0.01 0.16 0.00 -0.09 -1.01 0.00 0.00 177.57 176.62 1bxb h ARG 158 N 0.00 0.16 -0.51 4.17 2.43 -1.06 -2.48 114.38 117.10 1bxb h ARG 158 Ca -0.00 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1bxb h ARG 158 Cb 1.07 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 1bxb h ARG 158 CO 0.02 0.42 0.28 1.49 -1.51 0.00 0.00 179.97 180.68 1bxb h GLU 159 N -0.11 0.54 -0.13 0.20 4.81 -1.03 0.54 114.58 119.40 1bxb h GLU 159 Ca 0.03 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1bxb h GLU 159 Cb 0.35 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1bxb h GLU 159 CO 0.00 0.36 0.05 0.00 -0.73 0.00 0.00 179.01 178.69 1bxb h ALA 160 N 1.25 0.17 -0.12 2.92 0.00 -1.45 -1.97 119.26 120.06 1bxb h ALA 160 Ca 0.21 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1bxb h ALA 160 Cb 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1bxb h ALA 160 CO -0.12 -0.25 -0.61 -0.07 0.00 0.00 0.00 179.25 178.20 1bxb h LEU 161 N 0.06 0.48 -0.71 0.00 3.38 -1.19 -0.50 115.31 116.83 1bxb h LEU 161 Ca 0.04 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1bxb h LEU 161 Cb 0.16 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1bxb h LEU 161 CO -0.00 0.98 0.24 0.78 0.09 0.00 0.00 178.44 180.53 1bxb h ASN 162 N 0.32 1.02 -0.69 -0.43 2.35 -0.89 -1.77 115.58 115.48 1bxb h ASN 162 Ca -0.01 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.49 1bxb h ASN 162 Cb 1.15 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.23 1bxb h ASN 162 CO 0.11 0.94 0.19 0.15 -1.65 0.00 0.00 177.43 177.17 1bxb h PHE 163 N 1.04 1.13 -0.32 1.19 3.04 -0.62 -1.12 116.94 121.28 1bxb h PHE 163 Ca 0.23 -0.12 -0.05 0.00 3.98 0.00 0.00 57.97 62.01 1bxb h PHE 163 Cb 0.27 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 1bxb h PHE 163 CO 0.02 0.91 0.00 0.52 -2.02 0.00 0.00 178.31 177.75 1bxb h MET 164 N 1.02 0.55 -0.24 1.11 2.86 -0.97 -0.42 114.93 118.84 1bxb h MET 164 Ca 0.22 -0.17 -0.11 0.00 -2.06 0.00 0.00 59.70 57.57 1bxb h MET 164 Cb 0.33 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1bxb h MET 164 CO -0.00 0.69 -0.32 0.00 1.06 0.00 0.00 176.91 178.33 1bxb h ALA 165 N 0.85 0.99 -0.48 6.32 0.00 -1.17 -1.97 119.26 123.78 1bxb h ALA 165 Ca 0.09 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1bxb h ALA 165 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1bxb h ALA 165 CO 0.02 0.60 -0.18 0.00 0.00 0.00 0.00 179.25 179.69 1bxb h ALA 166 N 1.22 0.77 -0.69 0.00 0.00 -0.96 -2.06 119.26 117.54 1bxb h ALA 166 Ca 0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1bxb h ALA 166 Cb 0.78 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1bxb h ALA 166 CO 0.06 0.66 0.42 -0.92 0.00 0.00 0.00 179.25 179.48 1bxb h TYR 167 N 0.84 0.91 -0.61 0.00 3.20 -0.95 0.53 116.97 120.89 1bxb h TYR 167 Ca 0.12 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1bxb h TYR 167 Cb 0.73 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 1bxb h TYR 167 CO 0.05 0.61 0.18 0.00 -1.64 0.00 0.00 178.16 177.35 1bxb h ALA 168 N 1.22 0.80 -0.06 1.82 0.00 -1.24 -0.55 119.26 121.24 1bxb h ALA 168 Ca 0.25 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1bxb h ALA 168 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1bxb h ALA 168 CO -0.05 0.48 -0.04 1.49 0.00 0.00 0.00 179.25 181.13 1bxb h GLU 169 N 0.87 -0.04 -0.56 0.00 4.81 -0.95 0.21 114.58 118.92 1bxb h GLU 169 Ca 0.19 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1bxb h GLU 169 Cb 0.31 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1bxb h GLU 169 CO -0.00 -0.03 0.29 0.22 -0.73 0.00 0.00 179.01 178.75 1bxb h ASP 170 N -0.04 0.69 1.14 1.04 3.58 -0.65 -1.97 116.42 120.20 1bxb h ASP 170 Ca 0.04 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1bxb h ASP 170 Cb 0.10 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1bxb h ASP 170 CO -0.09 0.57 -0.39 1.56 -2.88 0.00 0.00 179.24 178.01 1bxb h GLN 171 N 0.78 0.00 0.00 0.28 1.08 -0.98 -3.48 115.11 112.80 1bxb h GLN 171 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1bxb h GLN 171 Cb 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1bxb h GLN 171 CO -0.03 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.26 1bxb n GLY 172 N 1.31 0.48 3.77 3.46 0.00 -0.50 -5.03 105.19 108.68 1bxb n GLY 172 Ca 0.04 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 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 3.41 -0.48 1.61 2.02 -0.05 -4.97 117.35 116.89 1bxb s TYR 173 Ca 0.00 1.66 0.03 0.00 -0.37 0.00 0.00 57.07 58.38 1bxb s TYR 173 Cb 0.00 -3.27 0.59 0.00 -0.40 0.00 0.00 41.96 38.88 1bxb s TYR 173 CO 0.00 -0.72 1.91 0.41 -1.57 0.00 0.00 175.55 175.59 1bxb n GLY 174 N 0.89 4.68 3.76 0.71 0.00 -1.26 -4.53 105.19 109.44 1bxb n GLY 174 Ca 0.01 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 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 -3.26 2.97 -0.18 1.61 2.02 -1.26 -4.92 117.35 114.33 1bxb s TYR 175 Ca 0.56 1.19 -0.08 0.00 -0.37 0.00 0.00 57.07 58.37 1bxb s TYR 175 Cb 0.46 -3.80 -0.04 0.00 -0.40 0.00 0.00 41.96 38.18 1bxb s TYR 175 CO 0.08 -2.42 0.08 1.03 -1.57 0.00 0.00 175.55 172.76 1bxb s ARG 176 N -1.14 3.94 -0.14 -0.62 0.52 -0.81 -4.97 118.95 115.73 1bxb s ARG 176 Ca 0.55 -0.29 -0.18 0.00 -0.52 0.00 0.00 55.73 55.28 1bxb s ARG 176 Cb -0.42 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 1bxb s ARG 176 CO 0.50 0.35 0.49 -0.06 0.02 0.00 0.00 175.30 176.59 1bxb s PHE 177 N 0.17 3.48 -0.26 -0.53 0.40 0.58 -1.63 117.98 120.18 1bxb s PHE 177 Ca 0.06 0.86 -0.00 0.00 -0.60 0.00 0.00 56.93 57.25 1bxb s PHE 177 Cb -0.12 -2.58 0.04 0.00 0.51 0.00 0.00 43.02 40.88 1bxb s PHE 177 CO -0.00 0.11 -0.07 0.00 0.70 0.00 0.00 175.22 175.96 1bxb s ALA 178 N 0.84 2.66 -0.00 5.36 0.00 0.36 0.10 121.76 131.08 1bxb s ALA 178 Ca 0.26 -1.61 -0.22 0.00 0.00 0.00 0.00 51.96 50.39 1bxb s ALA 178 Cb -0.15 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.24 1bxb s ALA 178 CO 0.10 -1.01 0.63 -0.51 0.00 0.00 0.00 175.76 174.98 1bxb s LEU 179 N 1.24 4.41 -0.39 0.00 1.02 0.13 -1.85 118.68 123.24 1bxb s LEU 179 Ca -0.04 1.21 -0.00 0.00 0.02 0.00 0.00 54.13 55.32 1bxb s LEU 179 Cb -0.18 -2.99 0.11 0.00 0.02 0.00 0.00 46.19 43.15 1bxb s LEU 179 CO -0.04 0.06 0.15 -0.70 0.02 0.00 0.00 176.35 175.84 1bxb s GLU 180 N -0.05 1.81 0.49 1.70 2.12 0.01 -0.11 118.70 124.66 1bxb s GLU 180 Ca 0.33 -1.86 -0.19 0.00 0.36 0.00 0.00 54.97 53.61 1bxb s GLU 180 Cb -0.18 -3.44 -0.09 0.00 0.26 0.00 0.00 34.13 30.68 1bxb s GLU 180 CO 0.18 -1.02 0.99 -1.25 -0.54 0.00 0.00 175.26 173.62 1bxb s PRO 181 N 1.02 3.94 -0.15 4.30 0.04 -1.26 -4.14 135.00 138.75 1bxb s PRO 181 Ca 0.09 1.14 -0.14 0.00 0.04 0.00 0.00 61.00 62.14 1bxb s PRO 181 Cb -0.21 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 32.24 1bxb s PRO 181 CO -0.06 -0.29 0.39 0.21 0.04 0.00 0.00 177.00 177.30 1bxb s LYS 182 N -3.56 0.46 0.09 4.56 2.20 -1.18 -4.72 119.74 117.59 1bxb s LYS 182 Ca 0.62 0.55 -0.09 0.00 -0.36 0.00 0.00 55.97 56.70 1bxb s LYS 182 Cb -0.12 0.22 -0.20 0.00 -1.51 0.00 0.00 37.83 36.22 1bxb s LYS 182 CO 0.23 -0.06 1.21 -1.00 -0.36 0.00 0.00 175.35 175.37 1bxb h PRO 183 N 5.57 0.50 -3.52 4.03 0.13 -1.76 -3.38 132.00 133.57 1bxb h PRO 183 Ca -0.27 -0.60 -0.05 0.00 -0.87 0.00 0.00 66.00 64.21 1bxb h PRO 183 Cb 1.18 0.19 -0.08 0.00 0.13 0.00 0.00 31.00 32.42 1bxb h PRO 183 CO 0.26 1.23 -0.03 0.54 -0.23 0.00 0.00 178.00 179.77 1bxb s ASN 184 N -7.22 -0.04 0.00 1.44 4.22 -1.26 -0.67 114.94 111.41 1bxb s ASN 184 Ca -0.07 -0.93 0.00 0.00 -2.14 0.00 0.00 52.86 49.72 1bxb s ASN 184 Cb 0.07 0.64 0.00 0.00 1.28 0.00 0.00 41.25 43.24 1bxb s ASN 184 CO 0.90 -1.23 0.00 1.21 -2.04 0.00 0.00 177.10 175.94 1bxb n GLU 185 N -0.42 0.00 0.11 3.55 2.13 -1.26 -4.81 120.64 119.94 1bxb n GLU 185 Ca -0.02 0.48 0.13 0.00 0.66 0.00 0.00 57.16 58.40 1bxb n GLU 185 Cb 0.61 -0.62 0.32 0.00 0.27 0.00 0.00 31.44 32.01 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 0.00 0.00 -7.09 5.31 0.13 -1.98 -3.49 132.00 124.88 1bxb h PRO 186 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 1bxb h PRO 186 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1bxb h PRO 186 CO 0.00 0.00 0.35 1.03 -0.23 0.00 0.00 178.00 179.15 1bxb s ARG 187 N -3.14 4.09 0.19 0.86 1.81 -1.26 -4.98 118.95 116.53 1bxb s ARG 187 Ca 0.09 1.12 -0.13 0.00 -1.72 0.00 0.00 55.73 55.09 1bxb s ARG 187 Cb 0.11 -2.16 0.20 0.00 -0.45 0.00 0.00 34.95 32.66 1bxb s ARG 187 CO 0.64 -0.16 1.69 0.78 -0.68 0.00 0.00 175.30 177.57 1bxb h GLY 188 N 1.62 0.56 -5.32 -3.53 0.00 -1.95 -3.41 103.07 91.04 1bxb h GLY 188 Ca -0.49 0.04 -0.32 0.00 0.00 0.00 0.00 47.33 46.56 1bxb h GLY 188 CO 0.61 -0.13 -0.75 0.99 0.00 0.00 0.00 176.54 177.26 1bxb s ASP 189 N -5.27 0.62 -0.14 0.19 1.01 -1.08 -4.61 116.67 107.39 1bxb s ASP 189 Ca -0.13 -0.12 -0.13 0.00 0.71 0.00 0.00 52.55 52.88 1bxb s ASP 189 Cb 0.16 -0.06 -0.05 0.00 1.01 0.00 0.00 42.92 43.98 1bxb s ASP 189 CO 0.73 0.04 0.27 -0.63 0.21 0.00 0.00 175.17 175.79 1bxb s ILE 190 N -0.21 5.31 0.25 0.77 1.01 0.15 -1.48 121.20 127.01 1bxb s ILE 190 Ca 0.01 0.50 -0.04 0.00 0.00 0.00 0.00 60.65 61.12 1bxb s ILE 190 Cb -0.03 -3.59 0.23 0.00 0.01 0.00 0.00 42.46 39.08 1bxb s ILE 190 CO -0.00 0.45 1.85 1.88 0.00 0.00 0.00 174.94 179.11 1bxb h TYR 191 N 6.24 1.03 -3.13 3.97 0.05 -1.47 -3.27 116.97 120.39 1bxb h TYR 191 Ca -0.44 0.03 -0.79 0.00 0.05 0.00 0.00 58.73 57.58 1bxb h TYR 191 Cb 1.18 -0.33 -0.25 0.00 1.01 0.00 0.00 36.73 38.33 1bxb h TYR 191 CO 0.63 0.50 0.74 1.19 -1.05 0.00 0.00 178.16 180.17 1bxb n PHE 192 N -4.61 4.93 0.09 4.88 3.72 -1.26 -4.87 117.46 120.33 1bxb n PHE 192 Ca 0.14 -3.66 0.02 0.00 -0.05 0.00 0.00 57.45 53.90 1bxb n PHE 192 Cb 0.20 -1.79 -0.03 0.00 -0.94 0.00 0.00 39.48 36.92 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 6.64 0.65 -2.24 4.37 0.00 -1.73 -3.12 119.26 123.83 1bxb h ALA 193 Ca 0.22 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 1bxb h ALA 193 Cb 0.84 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.59 1bxb h ALA 193 CO 1.11 0.70 -0.69 0.95 0.00 0.00 0.00 179.25 181.32 1bxb s THR 194 N -2.99 0.42 0.24 0.00 -4.23 -1.26 -2.85 115.64 104.98 1bxb s THR 194 Ca 0.00 -1.86 -0.04 0.00 -1.18 0.00 0.00 61.69 58.61 1bxb s THR 194 Cb 0.08 -1.58 0.22 0.00 1.34 0.00 0.00 72.50 72.56 1bxb s THR 194 CO 0.78 -0.94 1.72 0.58 -0.54 0.00 0.00 174.62 176.22 1bxb h VAL 195 N 3.08 0.63 -0.69 2.29 2.07 -1.92 -1.78 116.25 119.94 1bxb h VAL 195 Ca -0.35 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1bxb h VAL 195 Cb 1.15 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1bxb h VAL 195 CO 0.65 0.07 0.42 1.23 0.02 0.00 0.00 177.57 179.97 1bxb h GLY 196 N 0.41 1.00 1.25 2.17 0.00 -1.96 -0.53 103.07 105.41 1bxb h GLY 196 Ca 0.42 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.35 1bxb h GLY 196 CO -0.42 0.40 0.49 0.23 0.00 0.00 0.00 176.54 177.23 1bxb h SER 197 N 0.94 0.82 -0.02 0.19 0.87 -1.74 -0.24 113.55 114.38 1bxb h SER 197 Ca 0.25 -0.02 -0.26 0.00 -1.23 0.00 0.00 61.79 60.53 1bxb h SER 197 Cb -0.04 -0.20 0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1bxb h SER 197 CO -0.05 0.59 -1.00 0.24 -0.53 0.00 0.00 176.83 176.08 1bxb h MET 198 N 0.97 0.72 -0.61 2.24 0.00 -0.88 -2.81 114.93 114.56 1bxb h MET 198 Ca 0.27 -0.74 0.04 0.00 0.00 0.00 0.00 59.70 59.27 1bxb h MET 198 Cb -0.07 0.20 -0.05 0.00 0.00 0.00 0.00 31.60 31.68 1bxb h MET 198 CO -0.06 1.32 0.35 -0.07 0.00 0.00 0.00 176.91 178.45 1bxb h LEU 199 N 0.42 0.55 -0.90 1.22 3.38 -0.59 -1.64 115.31 117.76 1bxb h LEU 199 Ca -0.12 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1bxb h LEU 199 Cb 1.65 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.28 1bxb h LEU 199 CO 0.20 0.37 0.16 0.00 0.09 0.00 0.00 178.44 179.26 1bxb h ALA 200 N 1.30 1.10 -0.13 1.53 0.00 -1.10 -2.92 119.26 119.04 1bxb h ALA 200 Ca 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1bxb h ALA 200 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1bxb h ALA 200 CO -0.14 0.60 0.05 0.35 0.00 0.00 0.00 179.25 180.11 1bxb h PHE 201 N 0.93 0.21 -0.76 0.00 3.57 -1.21 -3.13 116.94 116.54 1bxb h PHE 201 Ca 0.20 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.80 1bxb h PHE 201 Cb 0.32 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1bxb h PHE 201 CO 0.02 0.30 0.50 0.82 -2.23 0.00 0.00 178.31 177.72 1bxb h ILE 202 N 0.05 0.88 0.00 1.41 2.04 -1.11 0.02 117.51 120.80 1bxb h ILE 202 Ca 0.04 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1bxb h ILE 202 Cb 0.18 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1bxb h ILE 202 CO -0.00 0.11 0.00 0.45 0.00 0.00 0.00 178.15 178.70 1bxb h HIS 203 N 0.59 0.00 -0.01 1.37 3.86 -1.51 -2.21 115.15 117.24 1bxb h HIS 203 Ca 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1bxb h HIS 203 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1bxb h HIS 203 CO -0.00 0.00 -0.26 0.25 0.86 0.00 0.00 177.93 178.77 1bxb n THR 204 N -2.43 0.00 -2.04 2.45 -2.24 -0.01 -4.95 114.28 105.06 1bxb n THR 204 Ca 0.01 -0.16 -0.30 0.00 -2.27 0.00 0.00 64.05 61.33 1bxb n THR 204 Cb 0.19 0.54 0.02 0.00 -2.10 0.00 0.00 70.33 68.98 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 -2.45 3.16 0.17 3.22 1.43 -0.83 -5.00 118.68 118.38 1bxb s LEU 205 Ca 0.25 1.16 -0.07 0.00 -1.03 0.00 0.00 54.13 54.43 1bxb s LEU 205 Cb 0.19 -4.07 0.03 0.00 0.03 0.00 0.00 46.19 42.37 1bxb s LEU 205 CO 0.51 -1.03 1.49 0.44 0.23 0.00 0.00 176.35 177.99 1bxb h ASP 206 N -0.35 0.84 -2.43 2.29 3.32 -1.92 -3.34 116.42 114.83 1bxb h ASP 206 Ca -0.45 -0.41 -0.60 0.00 0.02 0.00 0.00 57.03 55.59 1bxb h ASP 206 Cb 1.22 -0.24 -0.41 0.00 0.22 0.00 0.00 39.33 40.12 1bxb h ASP 206 CO 0.62 1.17 -0.68 0.54 -1.72 0.00 0.00 179.24 179.17 1bxb n ARG 207 N -4.02 1.93 0.29 3.56 5.12 -1.26 -4.94 116.66 117.34 1bxb n ARG 207 Ca -0.03 -4.33 0.13 0.00 -1.93 0.00 0.00 57.85 51.69 1bxb n ARG 207 Cb 0.57 -2.09 0.83 0.00 -1.16 0.00 0.00 32.46 30.61 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 4.60 0.00 0.00 5.56 0.11 -1.80 -2.27 132.00 138.20 1bxb h PRO 208 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1bxb h PRO 208 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1bxb h PRO 208 CO 0.72 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.56 1bxb h GLU 209 N 0.00 0.00 -0.01 1.05 9.09 -1.92 -1.88 114.58 120.92 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 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1bxb h GLU 209 CO 0.00 0.00 -0.20 0.54 0.05 0.00 0.00 179.01 179.40 1bxb n ARG 210 N -2.45 0.75 -5.13 1.06 5.12 -0.85 -4.89 116.66 110.27 1bxb n ARG 210 Ca 0.02 -0.37 -0.32 0.00 -1.93 0.00 0.00 57.85 55.25 1bxb n ARG 210 Cb 0.29 -1.49 -0.15 0.00 -1.16 0.00 0.00 32.46 29.95 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 -2.51 2.50 0.00 -1.55 0.40 -0.71 -0.31 117.98 115.81 1bxb s PHE 211 Ca 0.26 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 1bxb s PHE 211 Cb 0.20 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 42.15 1bxb s PHE 211 CO 0.50 0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.84 1bxb n GLY 212 N 2.52 4.11 3.43 4.36 0.00 0.12 -4.95 105.19 114.77 1bxb n GLY 212 Ca -0.17 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 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 2.49 -0.67 0.99 1.43 0.20 -0.69 118.68 122.43 1bxb s LEU 213 Ca 0.00 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1bxb s LEU 213 Cb 0.00 -1.45 0.16 0.00 0.03 0.00 0.00 46.19 44.94 1bxb s LEU 213 CO 0.00 0.25 0.46 0.21 0.23 0.00 0.00 176.35 177.49 1bxb s ASN 214 N -1.46 4.77 0.36 2.29 2.47 0.84 -2.03 114.94 122.18 1bxb s ASN 214 Ca 0.14 -3.69 -0.27 0.00 0.42 0.00 0.00 52.86 49.47 1bxb s ASN 214 Cb -0.10 -1.65 -0.09 0.00 -1.45 0.00 0.00 41.25 37.96 1bxb s ASN 214 CO 0.05 -0.12 1.21 -2.84 -3.72 0.00 0.00 177.10 171.68 1bxb s PRO 215 N -1.22 4.21 -0.09 0.43 0.02 -1.26 -4.21 135.00 132.88 1bxb s PRO 215 Ca 0.23 1.96 0.03 0.00 0.02 0.00 0.00 61.00 63.24 1bxb s PRO 215 Cb -0.09 -2.86 -0.01 0.00 0.02 0.00 0.00 34.50 31.56 1bxb s PRO 215 CO -0.13 -0.22 -0.19 -2.00 -0.33 0.00 0.00 177.00 174.13 1bxb s GLU 216 N -2.03 2.97 0.22 5.54 2.12 -1.26 -0.99 118.70 125.27 1bxb s GLU 216 Ca 0.53 -0.79 -0.09 0.00 0.36 0.00 0.00 54.97 54.98 1bxb s GLU 216 Cb -0.34 -2.39 0.35 0.00 0.26 0.00 0.00 34.13 32.01 1bxb s GLU 216 CO 0.44 0.30 1.68 0.35 -0.54 0.00 0.00 175.26 177.49 1bxb h PHE 217 N 6.36 0.11 -0.11 5.30 3.04 -1.59 -2.10 116.94 127.96 1bxb h PHE 217 Ca -0.28 0.04 -0.12 0.00 3.98 0.00 0.00 57.97 61.59 1bxb h PHE 217 Cb 1.20 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.75 1bxb h PHE 217 CO 0.47 -0.11 -0.45 0.00 -2.02 0.00 0.00 178.31 176.20 1bxb h ALA 218 N 1.56 1.03 0.33 2.41 0.00 -1.85 -2.63 119.26 120.12 1bxb h ALA 218 Ca 0.35 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1bxb h ALA 218 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1bxb h ALA 218 CO -0.50 0.62 -0.16 0.45 0.00 0.00 0.00 179.25 179.67 1bxb h HIS 219 N 0.21 -0.41 -0.70 0.00 3.86 -1.71 0.86 115.15 117.27 1bxb h HIS 219 Ca 0.01 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 1bxb h HIS 219 Cb 0.89 0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.46 1bxb h HIS 219 CO 0.02 -0.15 0.25 0.93 0.86 0.00 0.00 177.93 179.84 1bxb h GLU 220 N -0.61 1.05 0.00 2.45 3.07 -1.52 -2.55 114.58 116.47 1bxb h GLU 220 Ca -0.04 -0.19 -0.08 0.00 -0.50 0.00 0.00 59.36 58.54 1bxb h GLU 220 Cb 0.44 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1bxb h GLU 220 CO 0.07 0.87 -0.40 1.15 -1.40 0.00 0.00 179.01 179.30 1bxb h THR 221 N 1.02 1.25 -0.85 1.13 2.02 -1.33 -1.65 112.91 114.49 1bxb h THR 221 Ca 0.23 -1.40 0.09 0.00 0.77 0.00 0.00 66.41 66.09 1bxb h THR 221 Cb 0.24 1.77 -0.07 0.00 -1.74 0.00 0.00 68.15 68.34 1bxb h THR 221 CO -0.01 0.40 0.50 0.24 0.37 0.00 0.00 175.52 177.01 1bxb h MET 222 N 0.00 0.83 -0.06 6.66 2.86 -0.38 0.02 114.93 124.87 1bxb h MET 222 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1bxb h MET 222 Cb 0.73 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1bxb h MET 222 CO 0.05 0.55 0.00 0.00 1.06 0.00 0.00 176.91 178.57 1bxb n ALA 223 N -2.37 2.59 -1.04 6.32 0.00 -0.90 -1.63 120.51 123.48 1bxb n ALA 223 Ca 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.19 1bxb n ALA 223 Cb 0.25 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 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 1.06 0.51 3.91 0.00 0.00 -0.01 -4.93 105.19 105.74 1bxb n GLY 224 Ca 0.18 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.33 3.01 -0.43 0.99 1.43 -0.67 -4.97 118.68 117.71 1bxb s LEU 225 Ca 0.00 0.76 -0.18 0.00 -1.03 0.00 0.00 54.13 53.67 1bxb s LEU 225 Cb 0.00 -3.51 0.02 0.00 0.03 0.00 0.00 46.19 42.73 1bxb s LEU 225 CO 0.00 -1.31 0.49 0.21 0.23 0.00 0.00 176.35 175.97 1bxb s ASN 226 N -4.38 6.23 0.24 2.29 3.84 -1.26 -4.10 114.94 117.79 1bxb s ASN 226 Ca 0.57 -0.60 -0.03 0.00 0.21 0.00 0.00 52.86 53.00 1bxb s ASN 226 Cb -0.11 -2.25 0.26 0.00 -0.55 0.00 0.00 41.25 38.60 1bxb s ASN 226 CO 0.47 -0.63 1.70 0.15 -2.79 0.00 0.00 177.10 175.99 1bxb h PHE 227 N 8.77 0.87 -0.65 0.43 3.57 -1.91 -2.63 116.94 125.38 1bxb h PHE 227 Ca -0.26 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.12 1bxb h PHE 227 Cb 1.11 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 1bxb h PHE 227 CO 0.65 0.85 0.40 0.28 -2.23 0.00 0.00 178.31 178.26 1bxb h VAL 228 N 0.72 1.07 -0.61 1.41 2.07 -1.93 -0.43 116.25 118.55 1bxb h VAL 228 Ca 0.12 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1bxb h VAL 228 Cb 0.58 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1bxb h VAL 228 CO 0.04 0.14 0.27 0.45 0.02 0.00 0.00 177.57 178.48 1bxb h HIS 229 N 0.78 0.91 -0.55 1.57 3.86 -1.93 -0.97 115.15 118.82 1bxb h HIS 229 Ca 0.27 -0.06 -0.08 0.00 -1.16 0.00 0.00 60.37 59.34 1bxb h HIS 229 Cb 0.04 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 1bxb h HIS 229 CO -0.05 0.71 0.03 0.00 0.86 0.00 0.00 177.93 179.48 1bxb h ALA 230 N 1.11 0.73 -0.41 2.45 0.00 -1.09 -2.12 119.26 119.93 1bxb h ALA 230 Ca 0.21 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1bxb h ALA 230 Cb 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1bxb h ALA 230 CO -0.02 0.53 -0.28 0.28 0.00 0.00 0.00 179.25 179.75 1bxb h VAL 231 N 0.83 1.27 -0.32 0.00 2.07 -1.01 -1.20 116.25 117.89 1bxb h VAL 231 Ca 0.16 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 1bxb h VAL 231 Cb 0.49 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1bxb h VAL 231 CO 0.02 0.48 0.12 0.00 0.02 0.00 0.00 177.57 178.22 1bxb h ALA 232 N 0.92 1.62 -0.29 1.67 0.00 -1.08 0.11 119.26 122.20 1bxb h ALA 232 Ca 0.09 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1bxb h ALA 232 Cb 0.84 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1bxb h ALA 232 CO 0.07 0.30 -0.55 0.37 0.00 0.00 0.00 179.25 179.45 1bxb h GLN 233 N 0.45 0.89 -0.57 0.00 4.15 -0.85 0.23 115.11 119.41 1bxb h GLN 233 Ca 0.11 -0.56 0.02 0.00 0.77 0.00 0.00 58.65 58.99 1bxb h GLN 233 Cb 0.11 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 1bxb h GLN 233 CO -0.01 1.20 0.36 0.00 -1.93 0.00 0.00 178.83 178.45 1bxb h ALA 234 N 0.68 0.73 -0.27 3.38 0.00 -0.48 -2.16 119.26 121.13 1bxb h ALA 234 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1bxb h ALA 234 Cb 1.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1bxb h ALA 234 CO 0.12 0.11 0.04 -0.07 0.00 0.00 0.00 179.25 179.45 1bxb h LEU 235 N 0.72 0.44 -1.43 0.00 3.38 -0.67 -1.18 115.31 116.57 1bxb h LEU 235 Ca 0.22 -0.26 0.18 0.00 0.09 0.00 0.00 57.88 58.11 1bxb h LEU 235 Cb -0.03 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 1bxb h LEU 235 CO -0.08 0.59 0.58 -0.78 0.09 0.00 0.00 178.44 178.84 1bxb h ASP 236 N 0.26 0.49 0.34 -0.43 3.58 -0.82 -0.77 116.42 119.07 1bxb h ASP 236 Ca 0.08 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1bxb h ASP 236 Cb 0.34 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1bxb h ASP 236 CO 0.01 0.22 -0.18 0.00 -2.88 0.00 0.00 179.24 176.40 1bxb n ALA 237 N -2.48 2.91 -2.45 -0.78 0.00 -0.77 -4.93 120.51 112.01 1bxb n ALA 237 Ca 0.18 -0.32 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 1bxb n ALA 237 Cb 0.61 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.82 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 1.32 -0.02 0.10 0.00 0.00 -0.30 -4.95 105.19 101.34 1bxb n GLY 238 Ca 0.13 -0.35 0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.30 1.56 -2.53 1.61 4.76 -0.52 -4.92 118.16 115.82 1bxb n LYS 239 Ca -0.09 -1.74 -0.40 0.00 -2.87 0.00 0.00 58.31 53.20 1bxb n LYS 239 Cb 0.58 -1.07 -0.03 0.00 -1.84 0.00 0.00 35.03 32.67 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 -1.49 3.37 0.10 -0.35 2.96 -1.24 0.61 118.68 122.64 1bxb s LEU 240 Ca 0.13 -1.06 0.23 0.00 -0.22 0.00 0.00 54.13 53.20 1bxb s LEU 240 Cb 0.11 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 1bxb s LEU 240 CO 0.01 -1.68 0.92 0.49 -1.32 0.00 0.00 176.35 174.78 1bxb n PHE 241 N 9.28 0.53 -3.53 5.38 3.01 -0.86 -4.90 117.46 126.37 1bxb n PHE 241 Ca 0.23 0.15 -0.07 0.00 1.01 0.00 0.00 57.45 58.77 1bxb n PHE 241 Cb 0.50 -0.69 -0.02 0.00 -0.01 0.00 0.00 39.48 39.26 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 -3.34 -0.29 -0.15 1.38 2.46 -1.07 -4.72 115.29 109.56 1bxb s HIS 242 Ca -0.01 0.17 -0.10 0.00 0.47 0.00 0.00 55.06 55.59 1bxb s HIS 242 Cb 0.12 0.54 0.05 0.00 -0.13 0.00 0.00 32.58 33.15 1bxb s HIS 242 CO 0.82 -0.48 0.36 -1.50 -2.47 0.00 0.00 174.74 171.48 1bxb s ILE 243 N -2.97 -0.02 -0.26 0.89 2.07 -1.25 -3.98 121.20 115.69 1bxb s ILE 243 Ca 0.06 0.06 -0.11 0.00 -1.41 0.00 0.00 60.65 59.26 1bxb s ILE 243 Cb -0.01 -0.53 -0.05 0.00 0.13 0.00 0.00 42.46 42.00 1bxb s ILE 243 CO -0.08 0.03 0.18 -1.81 -1.91 0.00 0.00 174.94 171.35 1bxb s ASP 244 N 0.87 6.09 -0.16 4.50 1.01 -0.16 -2.12 116.67 126.69 1bxb s ASP 244 Ca -0.05 0.07 -0.02 0.00 0.71 0.00 0.00 52.55 53.26 1bxb s ASP 244 Cb -0.06 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 1bxb s ASP 244 CO -0.06 0.01 -0.09 -0.76 0.21 0.00 0.00 175.17 174.48 1bxb s LEU 245 N 1.35 2.81 0.00 1.23 1.43 0.24 -1.54 118.68 124.20 1bxb s LEU 245 Ca 0.08 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1bxb s LEU 245 Cb -0.15 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1bxb s LEU 245 CO 0.07 0.10 0.00 -0.46 0.23 0.00 0.00 176.35 176.29 1bxb n ASN 246 N 3.97 0.00 -3.77 2.29 2.04 -1.26 -2.92 115.26 115.60 1bxb n ASN 246 Ca -0.18 -0.50 -0.19 0.00 -0.44 0.00 0.00 54.58 53.27 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 0.50 1.60 -0.29 0.53 -1.08 -0.55 -4.44 116.67 112.93 1bxb s ASP 247 Ca 0.00 -1.64 -0.20 0.00 -0.52 0.00 0.00 52.55 50.20 1bxb s ASP 247 Cb 0.00 0.47 0.18 0.00 -1.46 0.00 0.00 42.92 42.11 1bxb s ASP 247 CO 0.00 -0.96 1.20 -1.58 0.52 0.00 0.00 175.17 174.35 1bxb s GLN 248 N -3.69 0.20 0.06 4.34 2.00 -1.26 -1.58 119.66 119.72 1bxb s GLN 248 Ca 0.36 0.29 -0.21 0.00 -2.00 0.00 0.00 55.36 53.81 1bxb s GLN 248 Cb 0.04 0.06 -0.06 0.00 0.80 0.00 0.00 33.01 33.85 1bxb s GLN 248 CO 0.21 -0.03 0.62 1.03 -0.50 0.00 0.00 175.29 176.62 1bxb s ARG 249 N 0.75 4.32 0.71 1.67 0.52 -1.26 -4.83 118.95 120.83 1bxb s ARG 249 Ca -0.03 0.82 -0.16 0.00 -0.52 0.00 0.00 55.73 55.85 1bxb s ARG 249 Cb -0.04 -3.29 0.03 0.00 0.52 0.00 0.00 34.95 32.17 1bxb s ARG 249 CO -0.12 0.51 1.23 -1.64 0.02 0.00 0.00 175.30 175.30 1bxb s MET 250 N -0.72 2.25 -1.01 3.54 -1.94 -1.26 -4.14 119.30 116.02 1bxb s MET 250 Ca 0.31 1.85 -0.06 0.00 -1.71 0.00 0.00 55.69 56.09 1bxb s MET 250 Cb -0.20 -1.84 0.01 0.00 2.01 0.00 0.00 34.83 34.81 1bxb s MET 250 CO 0.20 -1.77 0.88 0.43 -0.01 0.00 0.00 175.02 174.74 1bxb n SER 251 N -2.48 -4.80 -2.14 3.03 7.64 -0.65 -4.99 113.62 109.23 1bxb n SER 251 Ca 0.14 -0.42 -0.07 0.00 1.01 0.00 0.00 58.87 59.53 1bxb n SER 251 Cb 0.50 -3.95 -0.00 0.00 -1.01 0.00 0.00 64.21 59.75 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 -3.83 0.55 -1.35 1.43 0.00 -1.26 -5.09 116.66 107.11 1bxb n ARG 252 Ca -0.03 -1.51 -0.37 0.00 -0.00 0.00 0.00 57.85 55.93 1bxb n ARG 252 Cb 0.56 1.65 0.05 0.00 -0.00 0.00 0.00 32.46 34.71 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 -0.33 -1.06 -1.91 2.89 -1.74 -1.26 -4.84 117.46 109.20 1bxb n PHE 253 Ca -0.02 0.39 -0.42 0.00 -0.56 0.00 0.00 57.45 56.83 1bxb n PHE 253 Cb 0.36 -1.90 -0.03 0.00 1.52 0.00 0.00 39.48 39.43 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 -1.27 6.53 0.00 5.98 -1.08 -1.26 -4.87 116.67 120.71 1bxb s ASP 254 Ca 0.66 2.28 0.18 0.00 -0.52 0.00 0.00 52.55 55.15 1bxb s ASP 254 Cb -0.40 -2.53 -0.19 0.00 -1.46 0.00 0.00 42.92 38.34 1bxb s ASP 254 CO 0.58 -1.03 0.63 0.00 0.52 0.00 0.00 175.17 175.86 1bxb n GLN 255 N 7.36 0.64 -3.86 4.34 6.02 -1.26 -5.00 117.38 125.62 1bxb n GLN 255 Ca 0.19 0.09 -0.26 0.00 -0.01 0.00 0.00 57.00 57.01 1bxb n GLN 255 Cb 0.43 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 29.99 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 -2.73 -1.59 -4.86 1.08 8.00 -1.25 -4.82 116.55 110.39 1bxb n ASP 256 Ca -0.12 -0.99 -0.31 0.00 0.71 0.00 0.00 54.79 54.08 1bxb n ASP 256 Cb 0.83 -3.26 0.03 0.00 -0.02 0.00 0.00 41.12 38.70 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 -6.82 3.16 0.25 0.64 1.43 -0.61 -2.22 118.68 114.51 1bxb s LEU 257 Ca 0.11 1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 54.36 1bxb s LEU 257 Cb -0.04 -4.43 -0.14 0.00 0.03 0.00 0.00 46.19 41.61 1bxb s LEU 257 CO 0.87 -1.09 1.20 -1.14 0.23 0.00 0.00 176.35 176.42 1bxb n ARG 258 N -2.89 1.58 -1.68 1.70 0.63 -1.26 -1.48 116.66 113.26 1bxb n ARG 258 Ca 0.07 0.56 -0.45 0.00 -0.92 0.00 0.00 57.85 57.10 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 1.11 2.31 -0.92 -0.14 7.35 -1.26 -2.46 117.46 123.45 1bxb n PHE 259 Ca 0.11 0.28 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 1bxb n PHE 259 Cb 0.30 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.59 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 3.16 0.74 0.09 7.13 0.00 -1.26 -4.77 105.19 110.28 1bxb n GLY 260 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.85 -3.38 113.55 114.57 1bxb h SER 261 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1bxb h SER 261 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1bxb h SER 261 CO 0.00 0.84 -1.84 -0.62 -0.87 0.00 0.00 176.83 174.34 1bxb n GLU 262 N -3.24 0.34 -3.20 4.77 -0.58 -1.26 -4.90 120.64 112.58 1bxb n GLU 262 Ca -0.02 0.15 -0.36 0.00 -0.42 0.00 0.00 57.16 56.51 1bxb n GLU 262 Cb 0.89 -1.08 -0.03 0.00 -0.57 0.00 0.00 31.44 30.65 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 -3.75 5.26 -0.01 1.62 3.02 -1.26 -4.92 115.26 115.22 1bxb n ASN 263 Ca -0.31 -3.42 -0.09 0.00 -0.03 0.00 0.00 54.58 50.73 1bxb n ASN 263 Cb 0.70 -1.01 -0.03 0.00 -0.61 0.00 0.00 39.78 38.84 1bxb n ASN 263 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1bxb h LEU 264 N 4.91 -0.48 -0.83 3.41 3.38 -1.91 -1.32 115.31 122.48 1bxb h LEU 264 Ca 0.20 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1bxb h LEU 264 Cb 0.64 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1bxb h LEU 264 CO 1.11 -0.20 0.46 0.50 0.09 0.00 0.00 178.44 180.41 1bxb h LYS 265 N -0.18 1.14 -0.32 1.13 3.64 -1.94 0.14 116.57 120.18 1bxb h LYS 265 Ca 0.10 -0.13 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 1bxb h LYS 265 Cb 0.33 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1bxb h LYS 265 CO -0.25 0.83 -0.45 0.00 -2.27 0.00 0.00 179.45 177.32 1bxb h ALA 266 N 1.25 0.60 -0.34 5.00 0.00 -1.93 -1.84 119.26 122.00 1bxb h ALA 266 Ca 0.29 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1bxb h ALA 266 Cb 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1bxb h ALA 266 CO -0.05 0.68 0.16 0.00 0.00 0.00 0.00 179.25 180.03 1bxb h ALA 267 N 0.82 0.41 -0.44 0.00 0.00 -1.03 0.02 119.26 119.05 1bxb h ALA 267 Ca 0.04 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1bxb h ALA 267 Cb 1.03 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 1bxb h ALA 267 CO 0.10 -0.22 -0.17 0.35 0.00 0.00 0.00 179.25 179.31 1bxb h PHE 268 N 0.33 -0.40 0.00 0.00 3.57 -0.44 -1.25 116.94 118.75 1bxb h PHE 268 Ca 0.15 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1bxb h PHE 268 Cb 0.07 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.06 1bxb h PHE 268 CO -0.11 -0.25 0.00 0.74 -2.23 0.00 0.00 178.31 176.46 1bxb h PHE 269 N -0.07 0.00 -0.04 0.41 0.04 -0.91 -1.88 116.94 114.49 1bxb h PHE 269 Ca 0.21 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.95 1bxb h PHE 269 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1bxb h PHE 269 CO -0.43 0.00 -0.09 1.25 -0.60 0.00 0.00 178.31 178.44 1bxb h LEU 270 N 0.00 0.16 -0.68 1.54 5.85 -0.63 -1.72 115.31 119.82 1bxb h LEU 270 Ca 0.00 -0.58 0.03 0.00 0.84 0.00 0.00 57.88 58.17 1bxb h LEU 270 Cb 0.92 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1bxb h LEU 270 CO 0.00 0.70 0.43 0.58 -0.34 0.00 0.00 178.44 179.81 1bxb h VAL 271 N -0.39 1.10 -0.94 1.05 2.07 -1.15 -0.47 116.25 117.52 1bxb h VAL 271 Ca 0.00 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1bxb h VAL 271 Cb 0.68 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1bxb h VAL 271 CO 0.02 0.15 0.61 -0.78 0.02 0.00 0.00 177.57 177.60 1bxb h ASP 272 N 0.84 1.03 -0.23 0.57 3.58 -1.35 -0.03 116.42 120.83 1bxb h ASP 272 Ca 0.27 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.63 1bxb h ASP 272 Cb 0.01 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.82 1bxb h ASP 272 CO -0.10 0.71 -0.19 0.25 -2.88 0.00 0.00 179.24 177.03 1bxb h LEU 273 N 1.20 0.56 -0.14 2.28 5.85 -0.61 -0.96 115.31 123.49 1bxb h LEU 273 Ca 0.37 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1bxb h LEU 273 Cb -0.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1bxb h LEU 273 CO -0.11 0.90 0.03 -0.07 -0.34 0.00 0.00 178.44 178.85 1bxb h LEU 274 N 0.24 0.22 -0.80 2.25 3.38 -0.92 -2.44 115.31 117.24 1bxb h LEU 274 Ca 0.04 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1bxb h LEU 274 Cb 0.72 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1bxb h LEU 274 CO 0.05 0.40 -0.11 -0.33 0.09 0.00 0.00 178.44 178.54 1bxb h GLU 275 N 0.03 0.79 -0.00 1.13 4.39 -0.91 -2.90 114.58 117.10 1bxb h GLU 275 Ca 0.04 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1bxb h GLU 275 Cb 0.27 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1bxb h GLU 275 CO 0.00 0.87 -0.22 -1.13 -1.16 0.00 0.00 179.01 177.37 1bxb n SER 276 N -4.16 0.72 0.01 1.42 3.41 -0.37 -3.48 113.62 111.16 1bxb n SER 276 Ca 0.01 -0.64 0.12 0.00 -0.26 0.00 0.00 58.87 58.10 1bxb n SER 276 Cb 0.37 0.04 0.16 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.90 0.60 -1.05 4.04 7.64 -0.92 -4.96 113.62 118.08 1bxb n SER 277 Ca 0.12 -0.26 -0.09 0.00 1.01 0.00 0.00 58.87 59.65 1bxb n SER 277 Cb 0.32 0.41 -0.00 0.00 -1.01 0.00 0.00 64.21 63.93 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 1.45 0.06 3.72 0.23 0.00 -1.21 -4.98 105.19 104.46 1bxb n GLY 278 Ca 0.04 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.50 3.05 -0.90 1.61 5.04 -1.16 -4.90 117.35 117.59 1bxb s TYR 279 Ca 0.03 0.64 0.08 0.00 -2.44 0.00 0.00 57.07 55.38 1bxb s TYR 279 Cb -0.01 -3.90 0.03 0.00 0.35 0.00 0.00 41.96 38.43 1bxb s TYR 279 CO 0.03 -3.34 0.67 1.04 -1.34 0.00 0.00 175.55 172.61 1bxb n GLN 280 N 4.04 1.15 -1.56 4.97 1.13 -1.26 -4.93 117.38 120.93 1bxb n GLN 280 Ca 0.14 -0.78 -0.25 0.00 -1.94 0.00 0.00 57.00 54.17 1bxb n GLN 280 Cb 0.39 -1.09 0.18 0.00 0.11 0.00 0.00 30.24 29.83 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 0.63 -1.56 3.76 1.08 0.00 -1.26 -5.02 105.19 102.82 1bxb n GLY 281 Ca 0.04 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 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 -5.45 3.50 -0.75 1.61 0.02 -1.26 -4.92 135.00 127.74 1bxb s PRO 282 Ca 0.64 2.09 -0.14 0.00 0.02 0.00 0.00 61.00 63.61 1bxb s PRO 282 Cb -0.02 -2.41 0.20 0.00 0.02 0.00 0.00 34.50 32.29 1bxb s PRO 282 CO 0.45 -0.86 0.69 1.03 -0.33 0.00 0.00 177.00 177.99 1bxb s ARG 283 N -2.71 3.42 -0.10 5.54 3.00 0.14 -3.85 118.95 124.39 1bxb s ARG 283 Ca 0.66 -2.30 -0.22 0.00 0.00 0.00 0.00 55.73 53.87 1bxb s ARG 283 Cb -0.36 -4.37 -0.03 0.00 0.00 0.00 0.00 34.95 30.18 1bxb s ARG 283 CO 0.44 -1.29 0.67 -1.58 0.00 0.00 0.00 175.30 173.54 1bxb s HIS 284 N 0.47 3.53 -1.05 -0.53 2.46 -0.90 -1.71 115.29 117.56 1bxb s HIS 284 Ca 0.15 1.16 -0.15 0.00 0.47 0.00 0.00 55.06 56.68 1bxb s HIS 284 Cb -0.15 -2.78 0.18 0.00 -0.13 0.00 0.00 32.58 29.70 1bxb s HIS 284 CO -0.06 0.04 1.20 -0.06 -2.47 0.00 0.00 174.74 173.39 1bxb s PHE 285 N 1.02 3.53 -1.33 3.88 0.08 -0.91 0.81 117.98 125.06 1bxb s PHE 285 Ca 0.35 -1.96 -0.16 0.00 0.12 0.00 0.00 56.93 55.28 1bxb s PHE 285 Cb -0.17 -4.17 0.08 0.00 -0.57 0.00 0.00 43.02 38.19 1bxb s PHE 285 CO 0.16 -1.31 1.82 -3.47 -0.10 0.00 0.00 175.22 172.32 1bxb n ASP 286 N 5.29 4.74 -3.59 1.36 -0.08 -1.15 -4.56 116.55 118.56 1bxb n ASP 286 Ca 0.28 -2.92 -0.11 0.00 -1.51 0.00 0.00 54.79 50.53 1bxb n ASP 286 Cb 0.45 -1.70 -0.04 0.00 2.34 0.00 0.00 41.12 42.17 1bxb n ASP 286 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bxb s ALA 287 N 3.59 0.09 0.09 -1.67 0.00 -1.26 -4.74 121.76 117.86 1bxb s ALA 287 Ca 0.51 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.27 1bxb s ALA 287 Cb 0.06 1.06 -0.00 0.00 0.00 0.00 0.00 23.12 24.23 1bxb s ALA 287 CO 0.03 -0.84 0.20 -3.38 0.00 0.00 0.00 175.76 171.76 1bxb s HIS 288 N -3.45 0.14 0.79 0.00 -3.43 -0.94 -4.38 115.29 104.01 1bxb s HIS 288 Ca 0.25 -0.56 -0.14 0.00 -0.80 0.00 0.00 55.06 53.82 1bxb s HIS 288 Cb -0.01 -0.05 0.07 0.00 -1.43 0.00 0.00 32.58 31.16 1bxb s HIS 288 CO 0.14 -0.55 1.20 0.00 -2.00 0.00 0.00 174.74 173.53 1bxb s ALA 289 N -3.82 1.93 0.51 -1.38 0.00 -1.26 -4.52 121.76 113.21 1bxb s ALA 289 Ca 0.05 0.83 -0.23 0.00 0.00 0.00 0.00 51.96 52.61 1bxb s ALA 289 Cb 0.05 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 1bxb s ALA 289 CO -0.11 -2.16 1.24 1.28 0.00 0.00 0.00 175.76 176.01 1bxb n LEU 290 N -3.15 4.51 0.06 0.00 4.77 -1.26 -4.87 117.00 117.05 1bxb n LEU 290 Ca 0.13 0.99 0.05 0.00 -0.03 0.00 0.00 56.01 57.15 1bxb n LEU 290 Cb 0.51 -1.50 0.24 0.00 -2.33 0.00 0.00 43.42 40.33 1bxb n LEU 290 CO 0.48 -0.89 0.65 -1.14 -1.33 0.00 0.00 177.39 175.16 1bxb n ARG 291 N -0.58 0.05 -0.02 3.23 0.63 -1.26 -2.00 116.66 116.72 1bxb n ARG 291 Ca 0.10 0.51 0.11 0.00 -0.92 0.00 0.00 57.85 57.64 1bxb n ARG 291 Cb 0.43 -1.66 0.56 0.00 0.45 0.00 0.00 32.46 32.23 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 -1.78 0.05 -4.22 5.15 -2.24 -1.26 -4.92 114.28 105.07 1bxb n THR 292 Ca 0.00 -0.09 -0.34 0.00 -2.27 0.00 0.00 64.05 61.35 1bxb n THR 292 Cb 0.04 -0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.95 3.04 0.00 -0.78 0.41 -0.85 -5.10 118.70 113.47 1bxb s GLU 293 Ca 0.32 -0.42 0.00 0.00 -0.41 0.00 0.00 54.97 54.46 1bxb s GLU 293 Cb 0.15 -2.85 0.00 0.00 -1.78 0.00 0.00 34.13 29.65 1bxb s GLU 293 CO 0.25 0.69 0.00 -0.40 -0.49 0.00 0.00 175.26 175.31 1bxb n ASP 294 N 1.74 0.00 0.19 -0.19 5.68 -1.26 -4.86 116.55 117.85 1bxb n ASP 294 Ca -0.17 -0.92 0.04 0.00 -0.50 0.00 0.00 54.79 53.24 1bxb n ASP 294 Cb 0.53 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.91 1bxb n ASP 294 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1bxb h GLU 295 N 0.00 0.00 -0.47 0.11 4.81 -2.00 -2.20 114.58 114.84 1bxb h GLU 295 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1bxb h GLU 295 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1bxb h GLU 295 CO 0.00 0.35 -0.01 0.93 -0.73 0.00 0.00 179.01 179.55 1bxb h GLU 296 N 0.00 0.77 0.00 1.92 3.07 -2.01 -2.20 114.58 116.13 1bxb h GLU 296 Ca -0.00 -0.21 -0.06 0.00 -0.50 0.00 0.00 59.36 58.59 1bxb h GLU 296 Cb 0.66 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1bxb h GLU 296 CO 0.05 0.78 -0.30 0.78 -1.40 0.00 0.00 179.01 178.92 1bxb h GLY 297 N 0.97 0.00 0.99 -3.84 0.00 -1.76 -2.15 103.07 97.27 1bxb h GLY 297 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1bxb h GLY 297 CO 0.02 0.00 0.26 -2.08 0.00 0.00 0.00 176.54 174.74 1bxb h VAL 298 N 0.00 1.13 0.00 4.60 2.07 -1.02 0.73 116.25 123.76 1bxb h VAL 298 Ca -0.00 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1bxb h VAL 298 Cb 0.79 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1bxb h VAL 298 CO 0.04 0.13 -0.27 -0.50 0.02 0.00 0.00 177.57 176.99 1bxb h TRP 299 N 0.57 0.00 -0.36 1.57 4.06 -1.32 -1.18 115.95 119.30 1bxb h TRP 299 Ca 0.15 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.03 1bxb h TRP 299 Cb -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 1bxb h TRP 299 CO -0.04 0.27 -0.08 0.00 -3.56 0.00 0.00 178.44 175.03 1bxb h ALA 300 N 1.73 0.49 0.04 1.49 0.00 -1.08 -1.08 119.26 120.85 1bxb h ALA 300 Ca -0.00 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1bxb h ALA 300 Cb 1.00 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1bxb h ALA 300 CO 0.04 0.34 -0.27 0.35 0.00 0.00 0.00 179.25 179.70 1bxb h PHE 301 N 0.48 -0.74 -0.52 0.00 3.57 -0.60 -1.03 116.94 118.11 1bxb h PHE 301 Ca 0.09 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1bxb h PHE 301 Cb 0.59 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 1bxb h PHE 301 CO 0.05 -0.37 0.32 0.00 -2.23 0.00 0.00 178.31 176.08 1bxb h ALA 302 N 0.34 0.66 -0.79 2.41 0.00 -1.01 -2.63 119.26 118.24 1bxb h ALA 302 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1bxb h ALA 302 Cb 0.50 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1bxb h ALA 302 CO -0.21 0.04 0.38 0.00 0.00 0.00 0.00 179.25 179.46 1bxb h ARG 303 N 0.64 1.14 -0.17 0.00 3.08 -1.14 -2.81 114.38 115.12 1bxb h ARG 303 Ca 0.20 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1bxb h ARG 303 Cb -0.02 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 1bxb h ARG 303 CO -0.07 0.88 -0.21 0.78 -1.07 0.00 0.00 179.97 180.27 1bxb h GLY 304 N 1.12 0.32 0.94 0.04 0.00 -0.84 -1.55 103.07 103.10 1bxb h GLY 304 Ca 0.27 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1bxb h GLY 304 CO -0.03 0.21 0.05 0.00 0.00 0.00 0.00 176.54 176.77 1bxb h MET 306 N 0.05 0.53 -0.27 0.00 2.86 -1.50 -2.69 114.93 113.91 1bxb h MET 306 Ca 0.03 -0.46 -0.06 0.00 -2.06 0.00 0.00 59.70 57.15 1bxb h MET 306 Cb 0.06 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1bxb h MET 306 CO -0.00 1.09 -0.06 -0.09 1.06 0.00 0.00 176.91 178.91 1bxb h ARG 307 N 0.35 0.52 -0.78 1.72 2.43 -1.22 -2.09 114.38 115.31 1bxb h ARG 307 Ca -0.05 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 58.90 1bxb h ARG 307 Cb 1.40 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.89 1bxb h ARG 307 CO 0.15 0.72 0.41 1.15 -1.51 0.00 0.00 179.97 180.89 1bxb h THR 308 N 0.28 1.24 -0.91 0.20 2.02 -1.17 -0.78 112.91 113.78 1bxb h THR 308 Ca 0.07 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1bxb h THR 308 Cb 0.53 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1bxb h THR 308 CO 0.03 0.27 0.58 0.22 0.37 0.00 0.00 175.52 176.98 1bxb h TYR 309 N 1.08 1.18 0.03 3.16 5.03 -1.29 -1.55 116.97 124.61 1bxb h TYR 309 Ca 0.27 0.01 -0.22 0.00 2.58 0.00 0.00 58.73 61.38 1bxb h TYR 309 Cb 0.05 -0.39 -0.01 0.00 1.55 0.00 0.00 36.73 37.93 1bxb h TYR 309 CO 0.00 0.76 -0.97 -0.07 -1.32 0.00 0.00 178.16 176.56 1bxb h LEU 310 N 1.25 0.26 -0.62 2.82 3.38 -0.73 -1.03 115.31 120.64 1bxb h LEU 310 Ca 0.33 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1bxb h LEU 310 Cb -0.10 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1bxb h LEU 310 CO -0.07 1.09 0.15 0.40 0.09 0.00 0.00 178.44 180.10 1bxb h ILE 311 N 0.09 1.25 -0.13 1.22 2.04 -0.86 -2.53 117.51 118.59 1bxb h ILE 311 Ca -0.06 -0.92 -0.15 0.00 1.00 0.00 0.00 64.86 64.73 1bxb h ILE 311 Cb 1.64 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1bxb h ILE 311 CO 0.15 0.35 -0.56 -0.07 0.00 0.00 0.00 178.15 178.02 1bxb h LEU 312 N 0.92 0.42 -0.27 1.44 3.38 -1.08 -1.56 115.31 118.57 1bxb h LEU 312 Ca 0.20 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1bxb h LEU 312 Cb 0.36 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1bxb h LEU 312 CO 0.00 0.89 0.05 0.50 0.09 0.00 0.00 178.44 179.98 1bxb h LYS 313 N 0.29 0.44 -0.42 1.13 3.64 -1.11 -0.52 116.57 120.01 1bxb h LYS 313 Ca 0.00 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1bxb h LYS 313 Cb 1.07 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1bxb h LYS 313 CO 0.09 0.55 0.21 1.49 -2.27 0.00 0.00 179.45 179.52 1bxb h GLU 314 N 0.26 0.60 -0.39 1.90 4.81 -1.30 -2.48 114.58 117.99 1bxb h GLU 314 Ca 0.08 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1bxb h GLU 314 Cb 0.31 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1bxb h GLU 314 CO 0.00 0.51 -0.10 -0.09 -0.73 0.00 0.00 179.01 178.60 1bxb h ARG 315 N 0.55 0.67 -0.41 1.92 9.65 -1.17 -2.36 114.38 123.23 1bxb h ARG 315 Ca 0.15 -0.21 -0.08 0.00 -1.10 0.00 0.00 59.98 58.74 1bxb h ARG 315 Cb 0.10 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 1bxb h ARG 315 CO -0.02 0.76 -0.08 0.00 2.80 0.00 0.00 179.97 183.43 1bxb h ALA 316 N 1.27 1.10 -0.47 2.80 0.00 -0.92 -0.37 119.26 122.68 1bxb h ALA 316 Ca 0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1bxb h ALA 316 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1bxb h ALA 316 CO 0.03 0.56 0.12 0.93 0.00 0.00 0.00 179.25 180.90 1bxb h GLU 317 N 0.65 0.75 -0.28 0.00 5.08 -1.08 -2.21 114.58 117.48 1bxb h GLU 317 Ca 0.12 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 1bxb h GLU 317 Cb 0.52 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1bxb h GLU 317 CO 0.03 0.73 -0.30 0.00 -1.00 0.00 0.00 179.01 178.47 1bxb h ALA 318 N 0.99 0.95 -0.15 3.43 0.00 -1.12 -2.98 119.26 120.38 1bxb h ALA 318 Ca 0.15 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1bxb h ALA 318 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1bxb h ALA 318 CO 0.00 0.61 0.07 0.35 0.00 0.00 0.00 179.25 180.28 1bxb h PHE 319 N 0.50 0.22 0.00 0.00 3.57 -0.89 -2.87 116.94 117.47 1bxb h PHE 319 Ca 0.06 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1bxb h PHE 319 Cb 0.77 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1bxb h PHE 319 CO 0.03 0.26 0.00 0.00 -2.23 0.00 0.00 178.31 176.37 1bxb h ARG 320 N 0.12 0.00 -0.23 1.11 2.47 -1.26 -2.34 114.38 114.25 1bxb h ARG 320 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1bxb h ARG 320 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 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 2.11 -1.98 0.04 -0.58 -1.14 -4.73 120.64 111.31 1bxb n GLU 321 Ca -0.01 -1.96 -0.42 0.00 -0.42 0.00 0.00 57.16 54.35 1bxb n GLU 321 Cb 0.18 -1.41 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 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 -1.43 6.63 0.34 1.62 -1.08 -0.88 -4.91 116.67 116.96 1bxb s ASP 322 Ca 0.29 2.56 0.03 0.00 -0.52 0.00 0.00 52.55 54.91 1bxb s ASP 322 Cb 0.18 -2.59 0.60 0.00 -1.46 0.00 0.00 42.92 39.65 1bxb s ASP 322 CO 0.26 -0.79 1.93 1.55 0.52 0.00 0.00 175.17 178.64 1bxb h PRO 323 N 6.79 0.69 -0.19 4.34 0.13 -1.92 -1.87 132.00 139.97 1bxb h PRO 323 Ca -0.42 -0.10 -0.16 0.00 -0.87 0.00 0.00 66.00 64.45 1bxb h PRO 323 Cb 1.21 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1bxb h PRO 323 CO 0.90 0.57 -0.55 1.49 -0.23 0.00 0.00 178.00 180.18 1bxb h GLU 324 N 0.68 0.58 -0.55 0.86 4.81 -1.97 -1.58 114.58 117.41 1bxb h GLU 324 Ca 0.17 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1bxb h GLU 324 Cb 0.14 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1bxb h GLU 324 CO -0.02 0.98 0.21 0.28 -0.73 0.00 0.00 179.01 179.73 1bxb h VAL 325 N 0.45 1.23 -0.38 0.32 2.07 -1.84 0.03 116.25 118.13 1bxb h VAL 325 Ca 0.01 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 1bxb h VAL 325 Cb 1.10 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1bxb h VAL 325 CO 0.10 0.27 -0.09 0.11 0.02 0.00 0.00 177.57 177.99 1bxb h LYS 326 N 0.75 0.65 -0.31 1.57 1.79 -1.16 -0.64 116.57 119.22 1bxb h LYS 326 Ca 0.18 -0.19 -0.15 0.00 -2.18 0.00 0.00 60.65 58.31 1bxb h LYS 326 Cb 0.22 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1bxb h LYS 326 CO -0.01 0.73 -0.39 1.49 -1.08 0.00 0.00 179.45 180.19 1bxb h GLU 327 N 0.60 0.81 -0.61 3.15 4.81 -1.02 -0.97 114.58 121.36 1bxb h GLU 327 Ca 0.11 -0.46 -0.08 0.00 -0.13 0.00 0.00 59.36 58.80 1bxb h GLU 327 Cb 0.51 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1bxb h GLU 327 CO 0.03 1.09 0.08 -0.07 -0.73 0.00 0.00 179.01 179.41 1bxb h LEU 328 N 0.59 0.98 -0.53 1.64 3.38 -0.54 -2.78 115.31 118.05 1bxb h LEU 328 Ca 0.04 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.58 1bxb h LEU 328 Cb 0.98 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1bxb h LEU 328 CO 0.09 1.01 -0.70 -0.07 0.09 0.00 0.00 178.44 178.86 1bxb h LEU 329 N 0.93 0.23 -0.52 1.67 3.38 -1.02 0.16 115.31 120.14 1bxb h LEU 329 Ca 0.18 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1bxb h LEU 329 Cb 0.46 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1bxb h LEU 329 CO 0.02 0.86 0.08 0.00 0.09 0.00 0.00 178.44 179.48 1bxb h ALA 330 N 1.14 0.69 -0.33 1.53 0.00 -1.13 -1.03 119.26 120.13 1bxb h ALA 330 Ca -0.02 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1bxb h ALA 330 Cb 1.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1bxb h ALA 330 CO 0.11 0.43 -0.33 0.00 0.00 0.00 0.00 179.25 179.46 1bxb h ALA 331 N 0.98 0.81 -0.84 0.00 0.00 -1.34 -2.30 119.26 116.56 1bxb h ALA 331 Ca 0.16 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.71 1bxb h ALA 331 Cb 0.41 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1bxb h ALA 331 CO 0.01 0.64 0.52 -0.92 0.00 0.00 0.00 179.25 179.50 1bxb h TYR 332 N 0.61 0.96 -0.59 0.00 3.20 -0.65 -2.71 116.97 117.78 1bxb h TYR 332 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1bxb h TYR 332 Cb 0.85 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1bxb h TYR 332 CO 0.04 0.49 0.00 0.66 -1.64 0.00 0.00 178.16 177.71 1bxb n TYR 333 N -4.63 1.24 -1.62 -3.82 4.01 -0.42 -4.99 117.16 106.94 1bxb n TYR 333 Ca 0.12 -0.60 -0.59 0.00 -0.16 0.00 0.00 57.90 56.67 1bxb n TYR 333 Cb 0.17 -0.19 -0.08 0.00 -0.31 0.00 0.00 39.34 38.94 1bxb n TYR 333 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1bxb n GLN 334 N 1.00 0.52 -3.90 -0.72 -0.06 -0.87 -4.95 117.38 108.39 1bxb n GLN 334 Ca 0.23 0.19 -0.30 0.00 -2.00 0.00 0.00 57.00 55.12 1bxb n GLN 334 Cb 0.79 -1.76 -0.16 0.00 -4.06 0.00 0.00 30.24 25.06 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 1.41 1.40 0.01 3.69 2.02 -1.26 -5.10 118.70 120.87 1bxb s GLU 335 Ca 0.94 -1.00 -0.30 0.00 0.02 0.00 0.00 54.97 54.63 1bxb s GLU 335 Cb -1.20 -2.52 -0.07 0.00 0.10 0.00 0.00 34.13 30.44 1bxb s GLU 335 CO 0.61 -0.67 1.68 0.34 0.02 0.00 0.00 175.26 177.24 1bxb s ASP 336 N 1.44 6.63 0.42 -0.19 -1.08 -1.26 -4.94 116.67 117.68 1bxb s ASP 336 Ca -0.02 2.37 0.09 0.00 -0.52 0.00 0.00 52.55 54.47 1bxb s ASP 336 Cb -0.18 -2.55 0.90 0.00 -1.46 0.00 0.00 42.92 39.63 1bxb s ASP 336 CO -0.08 -0.92 2.02 -0.65 0.52 0.00 0.00 175.17 176.06 1bxb h PRO 337 N 9.13 0.34 -0.73 4.34 0.11 -1.99 -0.29 132.00 142.92 1bxb h PRO 337 Ca -0.42 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1bxb h PRO 337 Cb 1.19 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1bxb h PRO 337 CO 0.94 0.31 0.32 0.00 -0.21 0.00 0.00 178.00 179.36 1bxb h ALA 338 N 1.74 1.19 -0.19 -0.75 0.00 -2.00 -1.97 119.26 117.29 1bxb h ALA 338 Ca 0.08 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1bxb h ALA 338 Cb 0.12 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1bxb h ALA 338 CO -0.01 0.60 -0.26 0.00 0.00 0.00 0.00 179.25 179.59 1bxb h ALA 339 N 1.30 0.28 -0.07 0.00 0.00 -1.55 -3.26 119.26 115.97 1bxb h ALA 339 Ca 0.25 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1bxb h ALA 339 Cb 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1bxb h ALA 339 CO -0.03 0.27 0.06 -0.07 0.00 0.00 0.00 179.25 179.47 1bxb h LEU 340 N 0.16 0.00 -0.51 0.00 4.07 -0.81 -1.22 115.31 116.99 1bxb h LEU 340 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1bxb h LEU 340 Cb 0.83 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.57 1bxb h LEU 340 CO 0.06 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.42 1bxb h ALA 341 N 1.96 1.00 -0.00 1.53 0.00 -1.40 -1.82 119.26 120.52 1bxb h ALA 341 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1bxb h ALA 341 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1bxb h ALA 341 CO -0.00 0.00 -0.43 1.28 0.00 0.00 0.00 179.25 180.10 1bxb n LEU 342 N -2.38 0.62 -4.88 0.00 4.77 -0.46 -4.95 117.00 109.71 1bxb n LEU 342 Ca 0.03 -0.06 -0.26 0.00 -0.03 0.00 0.00 56.01 55.69 1bxb n LEU 342 Cb 0.32 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1bxb n LEU 342 CO 0.25 0.14 0.02 -0.76 -1.33 0.00 0.00 177.39 175.71 1bxb s LEU 343 N -2.87 2.78 0.00 2.23 1.43 -0.69 -4.91 118.68 116.65 1bxb s LEU 343 Ca 0.15 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1bxb s LEU 343 Cb 0.18 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 45.13 1bxb s LEU 343 CO 0.65 -1.01 0.00 0.61 0.23 0.00 0.00 176.35 176.83 1bxb n GLY 344 N -1.69 -1.59 3.73 -3.19 0.00 -1.26 -4.99 105.19 96.20 1bxb n GLY 344 Ca -0.02 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 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 2.01 -1.79 1.61 -0.02 -1.26 -4.92 135.00 130.63 1bxb n PRO 345 Ca 0.00 0.72 -0.39 0.00 -2.02 0.00 0.00 63.50 61.81 1bxb n PRO 345 Cb 0.00 -2.49 0.03 0.00 -0.02 0.00 0.00 33.50 31.02 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 -1.21 2.34 0.08 6.00 5.04 -1.26 -4.95 117.35 123.38 1bxb s TYR 346 Ca 0.62 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 56.59 1bxb s TYR 346 Cb -0.47 -3.84 0.00 0.00 0.35 0.00 0.00 41.96 37.99 1bxb s TYR 346 CO 0.57 -2.92 0.00 0.45 -1.34 0.00 0.00 175.55 172.31 1bxb n SER 347 N -0.75 0.49 0.00 4.32 2.88 -1.26 -5.02 113.62 114.28 1bxb n SER 347 Ca 0.09 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1bxb n SER 347 Cb 0.44 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1bxb n SER 347 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1bxb n ARG 348 N -3.24 0.00 0.15 -1.46 3.00 -1.26 -4.72 116.66 109.13 1bxb n ARG 348 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1bxb n ARG 348 Cb 0.18 0.00 0.24 0.00 0.00 0.00 0.00 32.46 32.89 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 0.04 -0.17 -0.14 4.11 -1.99 -0.46 114.58 115.98 1bxb h GLU 349 Ca 0.00 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 59.25 1bxb h GLU 349 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1bxb h GLU 349 CO 0.00 0.54 -0.52 0.87 0.07 0.00 0.00 179.01 179.97 1bxb h LYS 350 N 0.03 0.65 -0.54 1.06 1.57 -1.95 -1.68 116.57 115.71 1bxb h LYS 350 Ca -0.00 -0.47 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1bxb h LYS 350 Cb 0.90 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 1bxb h LYS 350 CO 0.07 1.09 0.28 0.00 -0.57 0.00 0.00 179.45 180.32 1bxb h ALA 351 N 0.56 1.46 0.01 3.86 0.00 -1.86 0.33 119.26 123.63 1bxb h ALA 351 Ca -0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1bxb h ALA 351 Cb 1.14 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.72 1bxb h ALA 351 CO 0.11 0.43 -0.47 1.49 0.00 0.00 0.00 179.25 180.82 1bxb h GLU 352 N 0.76 0.30 -0.83 0.00 4.57 -1.10 -2.32 114.58 115.97 1bxb h GLU 352 Ca 0.19 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1bxb h GLU 352 Cb 0.06 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1bxb h GLU 352 CO -0.03 1.04 0.48 0.00 -1.18 0.00 0.00 179.01 179.33 1bxb h ALA 353 N 0.27 1.06 -0.40 2.92 0.00 -0.99 -2.75 119.26 119.37 1bxb h ALA 353 Ca -0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1bxb h ALA 353 Cb 1.21 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1bxb h ALA 353 CO 0.09 0.53 0.20 1.25 0.00 0.00 0.00 179.25 181.33 1bxb h LEU 354 N 1.14 0.51 -1.34 0.00 5.85 -0.36 0.09 115.31 121.19 1bxb h LEU 354 Ca 0.29 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1bxb h LEU 354 Cb -0.02 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1bxb h LEU 354 CO -0.05 0.47 0.00 0.11 -0.34 0.00 0.00 178.44 178.63 1bxb h LYS 355 N 0.51 0.00 0.00 1.25 1.57 -1.13 -2.73 116.57 116.03 1bxb h LYS 355 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1bxb h LYS 355 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1bxb h LYS 355 CO -0.02 0.00 -0.09 2.89 -0.57 0.00 0.00 179.45 181.66 1bxb n ARG 356 N -2.52 1.39 -1.38 3.15 1.85 -1.02 -5.06 116.66 113.07 1bxb n ARG 356 Ca 0.00 -1.67 -0.31 0.00 -1.00 0.00 0.00 57.85 54.87 1bxb n ARG 356 Cb 0.17 -1.03 0.08 0.00 -1.05 0.00 0.00 32.46 30.63 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 -1.39 2.38 -0.82 2.89 0.00 -0.01 -4.98 121.76 119.83 1bxb s ALA 357 Ca 0.12 0.25 -0.15 0.00 0.00 0.00 0.00 51.96 52.18 1bxb s ALA 357 Cb 0.11 -3.25 0.20 0.00 0.00 0.00 0.00 23.12 20.17 1bxb s ALA 357 CO 0.01 -1.59 0.80 -2.00 0.00 0.00 0.00 175.76 172.98 1bxb s GLU 358 N -4.87 3.56 0.01 0.00 2.56 -1.26 -5.04 118.70 113.66 1bxb s GLU 358 Ca 0.61 -2.30 -0.26 0.00 0.00 0.00 0.00 54.97 53.02 1bxb s GLU 358 Cb -0.17 -4.49 -0.04 0.00 2.00 0.00 0.00 34.13 31.43 1bxb s GLU 358 CO 0.54 -1.37 0.81 -0.51 -0.56 0.00 0.00 175.26 174.18 1bxb s LEU 359 N 0.66 4.40 -0.49 2.70 1.43 -1.26 -4.94 118.68 121.17 1bxb s LEU 359 Ca 0.19 1.45 -0.05 0.00 -1.03 0.00 0.00 54.13 54.69 1bxb s LEU 359 Cb -0.11 -3.30 -0.14 0.00 0.03 0.00 0.00 46.19 42.68 1bxb s LEU 359 CO -0.08 -0.09 2.58 -0.81 0.23 0.00 0.00 176.35 178.18 1bxb n PRO 360 N 3.34 1.94 -0.27 1.29 -0.04 -1.26 -4.70 135.00 135.30 1bxb n PRO 360 Ca 0.00 -1.13 0.02 0.00 -0.04 0.00 0.00 63.50 62.35 1bxb n PRO 360 Cb 0.51 -2.16 0.15 0.00 -0.04 0.00 0.00 33.50 31.96 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 6.39 0.57 -0.95 1.53 4.07 -2.00 -2.56 115.31 122.36 1bxb h LEU 361 Ca 0.34 0.05 -0.05 0.00 0.08 0.00 0.00 57.88 58.30 1bxb h LEU 361 Cb 0.70 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.37 1bxb h LEU 361 CO 0.84 0.32 0.15 -0.08 -1.08 0.00 0.00 178.44 178.59 1bxb h GLU 362 N 0.69 0.91 -0.48 1.13 4.57 -2.00 0.16 114.58 119.56 1bxb h GLU 362 Ca 0.37 -0.19 -0.10 0.00 -1.18 0.00 0.00 59.36 58.26 1bxb h GLU 362 Cb 0.36 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1bxb h GLU 362 CO -0.26 0.81 -0.11 0.00 -1.18 0.00 0.00 179.01 178.27 1bxb h ALA 363 N 1.28 0.89 -0.06 2.92 0.00 -1.87 -2.92 119.26 119.49 1bxb h ALA 363 Ca 0.19 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1bxb h ALA 363 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1bxb h ALA 363 CO -0.00 0.64 -0.74 0.87 0.00 0.00 0.00 179.25 180.02 1bxb h LYS 364 N 0.80 0.35 0.00 0.00 1.79 -1.04 -1.67 116.57 116.80 1bxb h LYS 364 Ca 0.13 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1bxb h LYS 364 Cb 0.64 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 1bxb h LYS 364 CO 0.04 0.94 0.00 0.00 -1.08 0.00 0.00 179.45 179.35 1bxb h ARG 365 N 0.23 0.00 -0.00 3.15 3.08 -0.87 -2.88 114.38 117.09 1bxb h ARG 365 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1bxb h ARG 365 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1bxb h ARG 365 CO 0.12 0.00 -0.59 0.54 -1.07 0.00 0.00 179.97 178.97 1bxb n ARG 366 N -2.97 2.13 -1.71 0.04 1.74 -1.06 -4.98 116.66 109.85 1bxb n ARG 366 Ca -0.00 -0.19 -0.43 0.00 -0.77 0.00 0.00 57.85 56.46 1bxb n ARG 366 Cb 0.23 -1.19 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 1bxb n ARG 366 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1bxb n ARG 367 N -1.05 2.56 -3.88 5.56 0.63 -0.65 -5.01 116.66 114.82 1bxb n ARG 367 Ca 0.04 0.92 -0.36 0.00 -0.92 0.00 0.00 57.85 57.53 1bxb n ARG 367 Cb 0.25 -2.71 -0.08 0.00 0.45 0.00 0.00 32.46 30.37 1bxb n ARG 367 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1bxb s GLY 368 N 0.81 2.04 0.00 5.14 0.00 -1.26 -5.00 107.32 109.05 1bxb s GLY 368 Ca 0.71 -0.69 0.26 0.00 0.00 0.00 0.00 44.72 45.00 1bxb s GLY 368 CO 0.40 -0.10 1.73 -1.72 0.00 0.00 0.00 173.10 173.41 1bxb n TYR 369 N 2.91 0.06 -3.50 1.90 4.02 -1.26 -4.95 117.16 116.35 1bxb n TYR 369 Ca -0.18 -0.03 -0.26 0.00 -0.01 0.00 0.00 57.90 57.43 1bxb n TYR 369 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.86 1bxb n TYR 369 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bxb n ALA 370 N 0.09 -1.12 0.31 -0.72 0.00 -1.26 -4.87 120.51 112.95 1bxb n ALA 370 Ca 0.18 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.89 1bxb n ALA 370 Cb 0.32 -3.50 0.18 0.00 0.00 0.00 0.00 19.45 16.44 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 -1.38 0.00 -0.19 0.00 3.38 -1.99 -2.54 115.31 112.59 1bxb h LEU 371 Ca -0.50 -0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.23 1bxb h LEU 371 Cb 1.33 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.09 1bxb h LEU 371 CO 0.59 0.01 -0.77 -0.08 0.09 0.00 0.00 178.44 178.28 1bxb h GLU 372 N 0.00 0.75 -0.21 1.13 4.57 -1.99 -0.31 114.58 118.52 1bxb h GLU 372 Ca 0.00 -0.61 -0.07 0.00 -1.18 0.00 0.00 59.36 57.50 1bxb h GLU 372 Cb 0.92 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.63 1bxb h GLU 372 CO 0.00 1.22 -0.13 -0.09 -1.18 0.00 0.00 179.01 178.83 1bxb h ARG 373 N 0.51 0.47 -0.46 1.92 2.43 -1.95 -0.85 114.38 116.44 1bxb h ARG 373 Ca -0.05 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1bxb h ARG 373 Cb 1.39 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 1bxb h ARG 373 CO 0.16 0.77 0.28 1.25 -1.51 0.00 0.00 179.97 180.92 1bxb h LEU 374 N 0.16 0.55 -0.63 3.80 5.85 -1.44 -1.57 115.31 122.03 1bxb h LEU 374 Ca 0.04 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1bxb h LEU 374 Cb 0.64 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1bxb h LEU 374 CO 0.04 0.43 0.33 -0.78 -0.34 0.00 0.00 178.44 178.12 1bxb h ASP 375 N 0.61 0.80 -0.76 1.25 3.58 -0.98 -1.51 116.42 119.41 1bxb h ASP 375 Ca 0.17 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1bxb h ASP 375 Cb -0.02 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.79 1bxb h ASP 375 CO -0.03 0.68 0.46 -0.61 -2.88 0.00 0.00 179.24 176.85 1bxb h GLN 376 N 0.86 1.04 -0.62 0.28 5.75 -0.94 -0.76 115.11 120.72 1bxb h GLN 376 Ca 0.22 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.59 1bxb h GLN 376 Cb 0.07 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 1bxb h GLN 376 CO -0.03 0.73 0.25 -0.07 -2.65 0.00 0.00 178.83 177.06 1bxb h LEU 377 N 1.06 0.85 -0.46 -2.39 4.07 -0.91 -0.56 115.31 116.97 1bxb h LEU 377 Ca 0.28 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 1bxb h LEU 377 Cb -0.04 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.46 1bxb h LEU 377 CO -0.05 0.79 0.26 0.00 -1.08 0.00 0.00 178.44 178.35 1bxb h ALA 378 N 1.10 0.59 -0.73 1.53 0.00 -0.63 -0.76 119.26 120.36 1bxb h ALA 378 Ca 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1bxb h ALA 378 Cb 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1bxb h ALA 378 CO -0.02 0.11 0.39 0.28 0.00 0.00 0.00 179.25 180.01 1bxb h VAL 379 N 0.61 1.22 0.00 0.00 2.07 -0.90 -0.81 116.25 118.43 1bxb h VAL 379 Ca 0.16 -0.56 -0.14 0.00 0.82 0.00 0.00 66.70 66.98 1bxb h VAL 379 Cb 0.04 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1bxb h VAL 379 CO -0.03 0.25 -0.67 -0.33 0.02 0.00 0.00 177.57 176.81 1bxb h GLU 380 N 1.02 0.00 0.11 1.57 5.08 -0.72 -1.03 114.58 120.61 1bxb h GLU 380 Ca 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1bxb h GLU 380 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1bxb h GLU 380 CO -0.04 0.67 -0.05 1.88 -1.00 0.00 0.00 179.01 180.46 1bxb h TYR 381 N 0.00 -0.14 -0.83 4.33 0.05 -0.84 0.55 116.97 120.09 1bxb h TYR 381 Ca -0.01 -0.00 0.16 0.00 0.05 0.00 0.00 58.73 58.93 1bxb h TYR 381 Cb 1.25 0.05 -0.10 0.00 1.01 0.00 0.00 36.73 38.94 1bxb h TYR 381 CO 0.00 0.08 0.38 -0.07 -1.05 0.00 0.00 178.16 177.51 1bxb h LEU 382 N -0.35 0.40 0.00 3.88 3.38 -0.98 0.16 115.31 121.81 1bxb h LEU 382 Ca -0.02 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1bxb h LEU 382 Cb 0.29 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1bxb h LEU 382 CO 0.03 0.14 0.00 0.18 0.09 0.00 0.00 178.44 178.87 1bxb n LEU 383 N -4.95 0.00 -0.40 1.67 4.77 -0.41 -4.88 117.00 112.80 1bxb n LEU 383 Ca 0.17 0.39 -0.05 0.00 -0.03 0.00 0.00 56.01 56.49 1bxb n LEU 383 Cb 0.48 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1bxb n LEU 383 CO 0.18 -0.04 -0.05 0.61 -1.33 0.00 0.00 177.39 176.76 1bxb n GLY 384 N 1.10 0.64 0.06 -0.72 0.00 0.04 -4.89 105.19 101.41 1bxb n GLY 384 Ca 0.10 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.42 1bxb n GLY 384 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bxb n VAL 385 N -3.08 0.30 -4.30 1.61 0.31 0.11 -4.84 118.33 108.44 1bxb n VAL 385 Ca -0.05 -0.27 -0.23 0.00 -0.01 0.00 0.00 64.34 63.78 1bxb n VAL 385 Cb 0.23 -0.03 -0.12 0.00 -0.91 0.00 0.00 33.84 33.01 1bxb n VAL 385 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1bxb s ARG 386 N -3.18 1.17 0.00 5.55 0.52 -1.13 -5.00 118.95 116.89 1bxb s ARG 386 Ca 0.05 -1.24 0.28 0.00 -0.52 0.00 0.00 55.73 54.30 1bxb s ARG 386 Cb 0.14 -1.37 1.65 0.00 0.52 0.00 0.00 34.95 35.88 1bxb s ARG 386 CO 0.74 0.31 1.99 0.41 0.02 0.00 0.00 175.30 178.77