#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxc n TYR 2 N 0.00 2.43 -3.70 3.17 4.01 -1.26 -5.07 117.16 116.73 1bxc n TYR 2 Ca 0.00 -3.79 -0.35 0.00 -0.16 0.00 0.00 57.90 53.60 1bxc n TYR 2 Cb 0.00 -0.42 -0.08 0.00 -0.31 0.00 0.00 39.34 38.53 1bxc n TYR 2 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1bxc s GLU 3 N -3.08 4.20 0.23 -0.72 0.41 -1.26 -4.59 118.70 113.89 1bxc s GLU 3 Ca 0.44 -0.17 -0.30 0.00 -0.41 0.00 0.00 54.97 54.53 1bxc s GLU 3 Cb 0.33 -3.42 -0.10 0.00 -1.78 0.00 0.00 34.13 29.15 1bxc s GLU 3 CO -0.11 0.29 1.51 -1.25 -0.49 0.00 0.00 175.26 175.21 1bxc s PRO 4 N 0.38 4.22 0.25 0.39 0.04 -1.26 -5.04 135.00 133.98 1bxc s PRO 4 Ca 0.09 2.38 0.10 0.00 0.04 0.00 0.00 61.00 63.62 1bxc s PRO 4 Cb -0.11 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 1bxc s PRO 4 CO -0.01 -0.52 -0.18 0.15 0.04 0.00 0.00 177.00 176.48 1bxc s LYS 5 N 0.04 1.55 0.50 4.56 1.02 -1.26 -4.79 119.74 121.35 1bxc s LYS 5 Ca 0.63 -1.70 0.27 0.00 0.02 0.00 0.00 55.97 55.19 1bxc s LYS 5 Cb -0.44 -1.54 1.28 0.00 -0.52 0.00 0.00 37.83 36.62 1bxc s LYS 5 CO 0.41 0.28 1.99 -1.00 -0.92 0.00 0.00 175.35 176.11 1bxc h PRO 6 N 2.40 0.00 0.00 -1.68 0.13 -1.94 0.71 132.00 131.62 1bxc h PRO 6 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1bxc h PRO 6 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1bxc h PRO 6 CO 0.60 0.15 0.00 -0.85 -0.23 0.00 0.00 178.00 177.68 1bxc n GLU 7 N -3.51 0.04 0.09 0.86 0.00 -1.26 -1.63 120.64 115.23 1bxc n GLU 7 Ca -0.01 0.36 -0.02 0.00 0.00 0.00 0.00 57.16 57.49 1bxc n GLU 7 Cb 0.31 -1.59 -0.05 0.00 0.00 0.00 0.00 31.44 30.10 1bxc n GLU 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1bxc h HIS 8 N 0.00 0.00 -4.53 -1.84 3.86 -1.26 -3.48 115.15 107.90 1bxc h HIS 8 Ca 0.00 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.94 1bxc h HIS 8 Cb 0.20 0.00 0.11 0.00 1.06 0.00 0.00 27.41 28.77 1bxc h HIS 8 CO 0.00 0.74 -0.51 0.54 0.86 0.00 0.00 177.93 179.56 1bxc n ARG 9 N -3.25 -5.45 -2.83 2.45 1.74 -0.65 -4.56 116.66 104.12 1bxc n ARG 9 Ca -0.00 0.60 -0.42 0.00 -0.77 0.00 0.00 57.85 57.26 1bxc n ARG 9 Cb 0.84 -4.93 -0.04 0.00 -1.02 0.00 0.00 32.46 27.31 1bxc n ARG 9 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1bxc s PHE 10 N -3.24 3.39 0.21 -1.55 0.08 -1.26 0.02 117.98 115.64 1bxc s PHE 10 Ca 0.29 1.30 0.11 0.00 0.12 0.00 0.00 56.93 58.75 1bxc s PHE 10 Cb -0.13 -3.08 -0.05 0.00 -0.57 0.00 0.00 43.02 39.19 1bxc s PHE 10 CO 0.52 -0.31 -0.21 0.95 -0.10 0.00 0.00 175.22 176.08 1bxc s THR 11 N 2.45 2.20 -0.06 0.64 -4.23 -0.24 -0.99 115.64 115.42 1bxc s THR 11 Ca 0.40 -2.12 0.02 0.00 -1.18 0.00 0.00 61.69 58.80 1bxc s THR 11 Cb -0.16 -2.10 0.02 0.00 1.34 0.00 0.00 72.50 71.60 1bxc s THR 11 CO 0.11 -0.28 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.46 1bxc s PHE 12 N -2.10 1.16 0.53 3.99 0.40 -0.99 -1.65 117.98 119.32 1bxc s PHE 12 Ca 0.22 -0.40 -0.22 0.00 -0.60 0.00 0.00 56.93 55.93 1bxc s PHE 12 Cb -0.06 -0.90 -0.05 0.00 0.51 0.00 0.00 43.02 42.52 1bxc s PHE 12 CO 0.10 -0.25 1.31 0.20 0.70 0.00 0.00 175.22 177.29 1bxc s GLY 13 N 0.79 2.86 0.55 4.36 0.00 -1.26 -2.09 107.32 112.53 1bxc s GLY 13 Ca -0.13 1.24 0.24 0.00 0.00 0.00 0.00 44.72 46.07 1bxc s GLY 13 CO 0.02 1.74 2.07 1.41 0.00 0.00 0.00 173.10 178.34 1bxc h LEU 14 N 1.53 0.00 0.00 0.66 3.38 -1.50 -2.08 115.31 117.31 1bxc h LEU 14 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1bxc h LEU 14 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1bxc h LEU 14 CO 0.58 0.00 -0.32 -2.67 0.09 0.00 0.00 178.44 176.11 1bxc n TRP 15 N -4.20 0.08 0.02 1.13 2.14 -1.26 -2.38 117.44 112.95 1bxc n TRP 15 Ca 0.04 0.02 -0.01 0.00 2.07 0.00 0.00 57.50 59.61 1bxc n TRP 15 Cb 0.37 -0.39 -0.01 0.00 -0.81 0.00 0.00 31.31 30.47 1bxc n TRP 15 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 1bxc h THR 16 N 0.00 0.00 0.00 -1.67 1.35 -1.60 -3.16 112.91 107.82 1bxc h THR 16 Ca 0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1bxc h THR 16 Cb 0.53 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1bxc h THR 16 CO 0.00 0.00 0.00 -0.37 -0.25 0.00 0.00 175.52 174.90 1bxc h VAL 17 N -0.51 0.00 -0.07 6.82 -1.51 -1.75 -2.91 116.25 116.33 1bxc h VAL 17 Ca -0.01 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1bxc h VAL 17 Cb 0.07 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1bxc h VAL 17 CO 0.02 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 1bxc n GLY 18 N 0.54 -0.12 3.67 5.19 0.00 -1.00 -4.92 105.19 108.55 1bxc n GLY 18 Ca 0.02 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1bxc n GLY 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bxc s ASN 19 N -1.81 6.50 0.00 1.61 3.84 -1.10 -4.62 114.94 119.36 1bxc s ASN 19 Ca 0.36 2.60 0.31 0.00 0.21 0.00 0.00 52.86 56.34 1bxc s ASN 19 Cb 0.19 -2.54 1.67 0.00 -0.55 0.00 0.00 41.25 40.02 1bxc s ASN 19 CO 0.30 -1.00 2.10 1.33 -2.79 0.00 0.00 177.10 177.04 1bxc n VAL 20 N 5.26 0.00 -1.02 -5.21 0.24 -1.26 -4.88 118.33 111.46 1bxc n VAL 20 Ca 0.18 -0.04 -0.01 0.00 -2.04 0.00 0.00 64.34 62.44 1bxc n VAL 20 Cb 0.41 -0.33 -0.00 0.00 -1.47 0.00 0.00 33.84 32.45 1bxc n VAL 20 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bxc n GLY 21 N 1.09 0.43 3.76 7.63 0.00 -1.26 -0.77 105.19 116.07 1bxc n GLY 21 Ca 0.21 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 1bxc n GLY 21 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bxc s ARG 22 N -1.98 4.50 0.31 1.61 3.52 -1.26 -4.06 118.95 121.60 1bxc s ARG 22 Ca 0.00 1.77 0.05 0.00 -0.13 0.00 0.00 55.73 57.42 1bxc s ARG 22 Cb 0.00 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.33 1bxc s ARG 22 CO 0.00 0.10 0.24 0.16 -0.81 0.00 0.00 175.30 174.98 1bxc s ASP 23 N -1.01 1.46 0.28 -2.12 1.47 -0.87 -4.97 116.67 110.91 1bxc s ASP 23 Ca 0.48 -1.68 0.21 0.00 1.18 0.00 0.00 52.55 52.74 1bxc s ASP 23 Cb -0.30 0.51 1.05 0.00 -0.34 0.00 0.00 42.92 43.84 1bxc s ASP 23 CO 0.39 -1.01 1.64 -0.81 0.68 0.00 0.00 175.17 176.06 1bxc n PRO 24 N -0.57 0.15 -0.04 2.11 -0.04 -1.26 -1.24 135.00 134.10 1bxc n PRO 24 Ca 0.05 0.57 0.05 0.00 -0.04 0.00 0.00 63.50 64.13 1bxc n PRO 24 Cb 0.63 -1.91 0.07 0.00 -0.04 0.00 0.00 33.50 32.25 1bxc n PRO 24 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1bxc n PHE 25 N -2.20 0.00 -3.69 0.54 3.72 -1.26 -5.06 117.46 109.51 1bxc n PHE 25 Ca -0.00 -0.73 -0.13 0.00 -0.05 0.00 0.00 57.45 56.54 1bxc n PHE 25 Cb 0.09 -0.10 -0.07 0.00 -0.94 0.00 0.00 39.48 38.46 1bxc n PHE 25 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1bxc s GLY 26 N -1.88 -0.25 1.00 1.37 0.00 -0.37 -5.16 107.32 102.02 1bxc s GLY 26 Ca 0.15 0.39 -0.15 0.00 0.00 0.00 0.00 44.72 45.11 1bxc s GLY 26 CO 0.01 0.14 1.16 0.99 0.00 0.00 0.00 173.10 175.40 1bxc s ASP 27 N -1.72 2.75 0.20 1.64 1.01 -1.26 -2.05 116.67 117.24 1bxc s ASP 27 Ca -0.08 0.79 -0.30 0.00 0.71 0.00 0.00 52.55 53.66 1bxc s ASP 27 Cb -0.02 -1.20 -0.09 0.00 1.01 0.00 0.00 42.92 42.62 1bxc s ASP 27 CO 0.01 -3.01 1.29 0.00 0.21 0.00 0.00 175.17 173.67 1bxc s ALA 28 N -3.29 3.51 -1.54 5.23 0.00 -1.26 -3.98 121.76 120.43 1bxc s ALA 28 Ca 0.67 1.08 0.21 0.00 0.00 0.00 0.00 51.96 53.92 1bxc s ALA 28 Cb -0.12 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 1bxc s ALA 28 CO 0.54 -0.51 0.96 1.33 0.00 0.00 0.00 175.76 178.08 1bxc n VAL 29 N 2.57 0.00 -4.24 0.00 0.24 0.05 -4.90 118.33 112.06 1bxc n VAL 29 Ca 0.06 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.34 62.03 1bxc n VAL 29 Cb 0.43 1.15 -0.10 0.00 -1.47 0.00 0.00 33.84 33.85 1bxc n VAL 29 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1bxc s ARG 30 N -2.55 1.02 0.42 7.34 0.52 -0.64 -4.98 118.95 120.09 1bxc s ARG 30 Ca 0.14 -1.42 -0.22 0.00 -0.52 0.00 0.00 55.73 53.71 1bxc s ARG 30 Cb 0.16 -0.58 -0.10 0.00 0.52 0.00 0.00 34.95 34.95 1bxc s ARG 30 CO 0.64 0.07 0.98 -1.21 0.02 0.00 0.00 175.30 175.79 1bxc s GLU 31 N -3.67 4.19 0.06 3.54 2.02 -1.26 -4.76 118.70 118.81 1bxc s GLU 31 Ca 0.15 1.23 -0.31 0.00 0.02 0.00 0.00 54.97 56.07 1bxc s GLU 31 Cb 0.02 -2.29 -0.08 0.00 0.10 0.00 0.00 34.13 31.89 1bxc s GLU 31 CO -0.00 -0.07 1.55 0.50 0.02 0.00 0.00 175.26 177.26 1bxc s ARG 32 N -2.96 4.23 0.03 1.61 6.06 -1.26 -4.82 118.95 121.83 1bxc s ARG 32 Ca 0.61 2.21 -0.21 0.00 -2.50 0.00 0.00 55.73 55.84 1bxc s ARG 32 Cb -0.13 -3.53 -0.06 0.00 0.06 0.00 0.00 34.95 31.29 1bxc s ARG 32 CO 0.17 -0.66 0.60 -0.51 -2.50 0.00 0.00 175.30 172.41 1bxc s LEU 33 N 2.34 4.46 0.20 -0.88 1.43 -1.26 -5.07 118.68 119.90 1bxc s LEU 33 Ca 0.70 1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 54.72 1bxc s LEU 33 Cb -0.37 -2.94 -0.09 0.00 0.03 0.00 0.00 46.19 42.82 1bxc s LEU 33 CO 0.30 0.15 1.32 -0.62 0.23 0.00 0.00 176.35 177.73 1bxc s ASP 34 N -0.47 6.88 0.27 2.29 2.15 -1.26 -4.92 116.67 121.60 1bxc s ASP 34 Ca 0.31 2.41 -0.01 0.00 0.43 0.00 0.00 52.55 55.69 1bxc s ASP 34 Cb -0.19 -2.61 0.49 0.00 -0.30 0.00 0.00 42.92 40.31 1bxc s ASP 34 CO 0.18 -0.54 1.82 -0.65 -0.17 0.00 0.00 175.17 175.81 1bxc h PRO 35 N 5.43 0.86 -0.82 4.34 0.11 -1.97 -0.13 132.00 139.82 1bxc h PRO 35 Ca -0.45 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1bxc h PRO 35 Cb 1.21 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 1bxc h PRO 35 CO 0.78 0.57 0.44 0.28 -0.21 0.00 0.00 178.00 179.86 1bxc h VAL 36 N 0.89 1.24 -0.68 3.15 2.07 -1.93 -1.80 116.25 119.19 1bxc h VAL 36 Ca 0.45 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1bxc h VAL 36 Cb 0.45 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1bxc h VAL 36 CO -0.26 0.27 0.35 0.22 0.02 0.00 0.00 177.57 178.17 1bxc h TYR 37 N 1.15 0.95 0.00 1.57 3.20 -1.43 -2.85 116.97 119.56 1bxc h TYR 37 Ca 0.29 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 1bxc h TYR 37 Cb 0.04 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 1bxc h TYR 37 CO 0.01 0.69 -0.28 -0.24 -1.64 0.00 0.00 178.16 176.71 1bxc h VAL 38 N 0.93 0.52 -0.58 1.81 3.04 -1.02 -2.48 116.25 118.46 1bxc h VAL 38 Ca 0.24 -1.55 -0.04 0.00 -1.01 0.00 0.00 66.70 64.33 1bxc h VAL 38 Cb 0.08 2.11 -0.03 0.00 -2.01 0.00 0.00 31.29 31.45 1bxc h VAL 38 CO -0.03 0.27 0.22 1.23 -1.01 0.00 0.00 177.57 178.25 1bxc h GLY 39 N 3.23 0.95 1.70 3.17 0.00 -1.16 -1.26 103.07 109.71 1bxc h GLY 39 Ca -0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 1bxc h GLY 39 CO 0.04 0.50 -0.36 0.45 0.00 0.00 0.00 176.54 177.16 1bxc h HIS 40 N 0.81 0.39 -0.06 5.60 -0.00 -1.32 -2.28 115.15 118.29 1bxc h HIS 40 Ca 0.19 -0.10 -0.25 0.00 -0.00 0.00 0.00 60.37 60.22 1bxc h HIS 40 Cb 0.23 -0.09 0.02 0.00 -0.00 0.00 0.00 27.41 27.56 1bxc h HIS 40 CO 0.01 0.66 -0.92 0.87 -0.00 0.00 0.00 177.93 178.55 1bxc h LYS 41 N 0.29 0.73 -0.04 2.45 1.79 -1.25 -2.09 116.57 118.45 1bxc h LYS 41 Ca 0.03 -0.71 -0.13 0.00 -2.18 0.00 0.00 60.65 57.67 1bxc h LYS 41 Cb 0.78 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 1bxc h LYS 41 CO 0.06 1.29 -0.57 -0.07 -1.08 0.00 0.00 179.45 179.08 1bxc h LEU 42 N 0.44 0.16 -0.24 2.94 3.38 -1.22 -2.04 115.31 118.72 1bxc h LEU 42 Ca -0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1bxc h LEU 42 Cb 1.56 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1bxc h LEU 42 CO 0.18 0.69 0.10 0.00 0.09 0.00 0.00 178.44 179.51 1bxc h ALA 43 N 1.31 0.30 -0.98 1.53 0.00 -1.35 -1.00 119.26 119.08 1bxc h ALA 43 Ca -0.00 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1bxc h ALA 43 Cb 1.04 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 1bxc h ALA 43 CO 0.08 -0.12 0.62 0.93 0.00 0.00 0.00 179.25 180.76 1bxc h GLU 44 N 0.24 0.91 0.00 0.00 5.08 -1.12 -2.37 114.58 117.31 1bxc h GLU 44 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1bxc h GLU 44 Cb 0.15 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1bxc h GLU 44 CO -0.01 0.60 0.00 -0.07 -1.00 0.00 0.00 179.01 178.53 1bxc h LEU 45 N 0.93 0.00 0.00 1.33 4.07 -1.05 -3.47 115.31 117.12 1bxc h LEU 45 Ca 0.49 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.45 1bxc h LEU 45 Cb 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1bxc h LEU 45 CO -0.25 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.72 1bxc n GLY 46 N 0.77 1.99 3.75 0.83 0.00 -0.88 -4.70 105.19 106.95 1bxc n GLY 46 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1bxc n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxc s VAL 47 N -2.00 4.63 0.18 1.61 1.01 -0.43 -4.39 120.40 121.02 1bxc s VAL 47 Ca 0.00 1.66 -0.10 0.00 0.00 0.00 0.00 61.98 63.53 1bxc s VAL 47 Cb 0.00 -4.12 0.09 0.00 0.00 0.00 0.00 36.38 32.35 1bxc s VAL 47 CO 0.00 0.40 1.71 -0.74 0.00 0.00 0.00 175.10 176.48 1bxc h HIS 48 N 5.32 1.05 -2.85 5.22 -0.00 -1.37 -3.43 115.15 119.08 1bxc h HIS 48 Ca -0.45 -0.11 0.05 0.00 -0.00 0.00 0.00 60.37 59.86 1bxc h HIS 48 Cb 1.21 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 28.30 1bxc h HIS 48 CO 0.65 0.85 0.35 0.20 -0.00 0.00 0.00 177.93 179.98 1bxc s GLY 49 N -3.31 0.22 -0.04 5.26 0.00 -1.18 -2.10 107.32 106.17 1bxc s GLY 49 Ca -0.12 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.07 1bxc s GLY 49 CO 0.82 0.35 -0.09 0.54 0.00 0.00 0.00 173.10 174.71 1bxc s VAL 50 N -2.54 0.85 0.36 1.40 0.11 -0.15 -2.34 120.40 118.08 1bxc s VAL 50 Ca 0.16 -0.37 0.07 0.00 -2.93 0.00 0.00 61.98 58.91 1bxc s VAL 50 Cb -0.04 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 34.02 1bxc s VAL 50 CO 0.09 0.27 0.46 0.20 -3.33 0.00 0.00 175.10 172.79 1bxc s ASN 51 N 0.37 5.75 0.02 3.54 -0.87 -0.89 -4.16 114.94 118.70 1bxc s ASN 51 Ca -0.06 -0.32 -0.25 0.00 -1.57 0.00 0.00 52.86 50.66 1bxc s ASN 51 Cb -0.11 -1.03 0.06 0.00 -0.02 0.00 0.00 41.25 40.14 1bxc s ASN 51 CO 0.01 -0.50 0.57 -1.48 -2.57 0.00 0.00 177.10 173.13 1bxc s LEU 52 N -4.18 -0.26 0.41 0.60 0.05 -1.19 -1.15 118.68 112.96 1bxc s LEU 52 Ca 0.47 0.33 -0.06 0.00 0.05 0.00 0.00 54.13 54.92 1bxc s LEU 52 Cb -0.09 2.25 -0.05 0.00 -2.05 0.00 0.00 46.19 46.26 1bxc s LEU 52 CO 0.31 -0.69 0.72 -1.00 -0.55 0.00 0.00 176.35 175.13 1bxc s HIS 53 N -2.09 3.51 0.25 3.48 3.76 -1.26 -2.54 115.29 120.41 1bxc s HIS 53 Ca -0.07 0.81 -0.04 0.00 -0.15 0.00 0.00 55.06 55.62 1bxc s HIS 53 Cb -0.01 -2.27 0.51 0.00 1.11 0.00 0.00 32.58 31.92 1bxc s HIS 53 CO 0.01 -0.11 1.67 0.38 -0.85 0.00 0.00 174.74 175.85 1bxc h ASP 54 N 0.87 -0.01 1.28 1.40 2.03 -1.91 -1.56 116.42 118.52 1bxc h ASP 54 Ca -0.47 0.16 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 1bxc h ASP 54 Cb 1.20 0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.92 1bxc h ASP 54 CO 0.63 -0.07 0.00 -0.62 -1.03 0.00 0.00 179.24 178.15 1bxc n GLU 55 N -5.18 0.24 -0.20 4.15 1.02 -1.26 -0.64 120.64 118.77 1bxc n GLU 55 Ca 0.16 0.25 -0.04 0.00 -0.02 0.00 0.00 57.16 57.52 1bxc n GLU 55 Cb 0.51 -1.81 0.15 0.00 -0.02 0.00 0.00 31.44 30.27 1bxc n GLU 55 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1bxc h ASP 56 N 0.00 0.91 0.01 1.62 3.32 -1.67 -3.33 116.42 117.28 1bxc h ASP 56 Ca 0.00 -0.14 -0.38 0.00 0.02 0.00 0.00 57.03 56.53 1bxc h ASP 56 Cb 0.64 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.90 1bxc h ASP 56 CO 0.00 0.83 -2.15 -0.11 -1.72 0.00 0.00 179.24 176.09 1bxc n LEU 57 N -4.29 2.17 -3.96 1.55 7.94 -0.86 -4.82 117.00 114.74 1bxc n LEU 57 Ca 0.06 0.27 -0.31 0.00 -1.11 0.00 0.00 56.01 54.92 1bxc n LEU 57 Cb 0.19 -0.90 -0.15 0.00 0.53 0.00 0.00 43.42 43.09 1bxc n LEU 57 CO 0.40 0.59 -0.33 -0.63 -1.11 0.00 0.00 177.39 176.31 1bxc s ILE 58 N -2.48 2.00 0.52 1.96 1.09 0.19 -4.99 121.20 119.49 1bxc s ILE 58 Ca -0.34 -2.18 -0.22 0.00 -1.10 0.00 0.00 60.65 56.81 1bxc s ILE 58 Cb 0.11 -2.48 -0.06 0.00 -1.06 0.00 0.00 42.46 38.97 1bxc s ILE 58 CO 0.56 -0.62 1.34 -2.16 -0.10 0.00 0.00 174.94 173.96 1bxc s PRO 59 N 1.02 3.31 0.11 2.79 0.04 -1.25 -3.99 135.00 137.03 1bxc s PRO 59 Ca 0.11 2.20 -0.36 0.00 0.04 0.00 0.00 61.00 62.99 1bxc s PRO 59 Cb -0.19 -2.34 -0.16 0.00 0.04 0.00 0.00 34.50 31.85 1bxc s PRO 59 CO -0.11 -1.04 1.32 0.54 0.04 0.00 0.00 177.00 177.74 1bxc n ARG 60 N -0.82 1.24 -2.35 4.56 1.74 -1.26 -2.93 116.66 116.83 1bxc n ARG 60 Ca 0.09 0.45 -0.02 0.00 -0.77 0.00 0.00 57.85 57.60 1bxc n ARG 60 Cb 0.45 -2.07 0.01 0.00 -1.02 0.00 0.00 32.46 29.83 1bxc n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bxc n GLY 61 N 2.47 0.53 3.38 -0.13 0.00 -1.26 -5.06 105.19 105.11 1bxc n GLY 61 Ca 0.17 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1bxc n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bxc s THR 62 N -3.04 3.82 0.36 2.61 2.01 -1.15 -5.10 115.64 115.15 1bxc s THR 62 Ca 0.03 -0.34 -0.27 0.00 0.31 0.00 0.00 61.69 61.42 1bxc s THR 62 Cb -0.01 -2.76 -0.12 0.00 0.01 0.00 0.00 72.50 69.62 1bxc s THR 62 CO 0.08 0.39 1.21 -0.81 -0.69 0.00 0.00 174.62 174.80 1bxc n PRO 63 N 4.82 1.87 0.22 4.92 -0.04 -1.26 -4.63 135.00 140.90 1bxc n PRO 63 Ca -0.17 0.66 0.11 0.00 -0.04 0.00 0.00 63.50 64.06 1bxc n PRO 63 Cb 0.51 -2.23 0.69 0.00 -0.04 0.00 0.00 33.50 32.42 1bxc n PRO 63 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1bxc h PRO 64 N 2.24 0.00 0.18 0.54 0.11 -1.99 0.30 132.00 133.37 1bxc h PRO 64 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1bxc h PRO 64 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1bxc h PRO 64 CO 0.61 0.00 -0.09 1.96 -0.21 0.00 0.00 178.00 180.27 1bxc h GLN 65 N 0.00 -0.23 -0.08 1.05 4.20 -2.00 -2.17 115.11 115.88 1bxc h GLN 65 Ca 0.04 0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.63 1bxc h GLN 65 Cb 0.17 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1bxc h GLN 65 CO -0.00 -0.13 -0.54 1.49 -0.67 0.00 0.00 178.83 178.97 1bxc h GLU 66 N -0.26 0.24 -0.57 1.46 4.81 -1.28 -2.18 114.58 116.80 1bxc h GLU 66 Ca -0.02 -0.15 0.15 0.00 -0.13 0.00 0.00 59.36 59.21 1bxc h GLU 66 Cb 0.20 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1bxc h GLU 66 CO 0.04 0.72 0.41 -0.09 -0.73 0.00 0.00 179.01 179.35 1bxc h ARG 67 N 0.18 0.08 0.00 1.92 2.43 -0.36 -2.61 114.38 116.03 1bxc h ARG 67 Ca 0.00 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 1bxc h ARG 67 Cb 1.01 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.49 1bxc h ARG 67 CO 0.08 0.06 -1.68 -0.44 -1.51 0.00 0.00 179.97 176.48 1bxc h ASP 68 N 0.09 0.01 -0.39 -3.80 3.32 -0.73 -2.77 116.42 112.14 1bxc h ASP 68 Ca 0.27 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.22 1bxc h ASP 68 Cb 0.97 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 1bxc h ASP 68 CO -0.03 1.01 -0.07 -0.61 -1.72 0.00 0.00 179.24 177.83 1bxc h GLN 69 N 0.00 0.82 0.49 3.56 5.75 -1.38 -0.70 115.11 123.65 1bxc h GLN 69 Ca -0.27 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 57.95 1bxc h GLN 69 Cb 2.00 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 30.48 1bxc h GLN 69 CO 0.08 0.86 -0.24 0.82 -2.65 0.00 0.00 178.83 177.71 1bxc h ILE 70 N 0.75 0.50 -0.48 2.39 2.04 -1.50 -0.64 117.51 120.57 1bxc h ILE 70 Ca 0.13 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1bxc h ILE 70 Cb 0.55 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1bxc h ILE 70 CO 0.03 0.03 0.20 0.58 0.00 0.00 0.00 178.15 178.99 1bxc h VAL 71 N -0.77 1.17 0.11 1.67 2.07 -1.47 -1.47 116.25 117.57 1bxc h VAL 71 Ca -0.07 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1bxc h VAL 71 Cb 0.55 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1bxc h VAL 71 CO 0.11 0.21 -0.05 -0.09 0.02 0.00 0.00 177.57 177.77 1bxc h ARG 72 N 0.68 -0.14 0.00 1.57 2.43 -0.86 -1.77 114.38 116.28 1bxc h ARG 72 Ca 0.17 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1bxc h ARG 72 Cb 0.12 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1bxc h ARG 72 CO -0.02 -0.05 -0.31 0.07 -1.51 0.00 0.00 179.97 178.15 1bxc h ARG 73 N -0.20 0.00 -0.19 0.20 0.11 -0.79 -2.43 114.38 111.08 1bxc h ARG 73 Ca -0.02 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.88 1bxc h ARG 73 Cb 0.16 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.24 1bxc h ARG 73 CO 0.02 0.31 -0.59 0.35 0.10 0.00 0.00 179.97 180.17 1bxc h PHE 74 N 0.00 0.97 -0.38 4.08 3.57 -1.13 -3.03 116.94 121.01 1bxc h PHE 74 Ca -0.00 -0.39 -0.09 0.00 3.53 0.00 0.00 57.97 61.01 1bxc h PHE 74 Cb 0.80 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1bxc h PHE 74 CO 0.00 1.20 -0.15 0.87 -2.23 0.00 0.00 178.31 178.00 1bxc h LYS 75 N 0.46 0.70 -0.69 1.11 1.57 -0.94 -1.79 116.57 116.99 1bxc h LYS 75 Ca -0.02 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.54 1bxc h LYS 75 Cb 1.21 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 1bxc h LYS 75 CO 0.13 0.81 0.44 -0.09 -0.57 0.00 0.00 179.45 180.17 1bxc h ARG 76 N 0.63 0.86 -0.44 3.15 9.65 -1.48 0.11 114.38 126.86 1bxc h ARG 76 Ca 0.10 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.89 1bxc h ARG 76 Cb 0.61 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.97 1bxc h ARG 76 CO 0.04 0.57 0.11 0.00 2.80 0.00 0.00 179.97 183.49 1bxc h ALA 77 N 1.28 0.57 -0.75 2.80 0.00 -1.33 0.42 119.26 122.25 1bxc h ALA 77 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1bxc h ALA 77 Cb -0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1bxc h ALA 77 CO -0.09 0.25 0.48 -0.07 0.00 0.00 0.00 179.25 179.83 1bxc h LEU 78 N 0.57 0.88 0.07 0.00 3.38 -0.92 -1.13 115.31 118.16 1bxc h LEU 78 Ca 0.14 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1bxc h LEU 78 Cb 0.31 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1bxc h LEU 78 CO 0.00 0.65 -0.03 0.44 0.09 0.00 0.00 178.44 179.59 1bxc h ASP 79 N 1.03 -0.08 -0.88 -0.43 3.32 0.62 0.31 116.42 120.31 1bxc h ASP 79 Ca 0.27 -0.29 0.16 0.00 0.02 0.00 0.00 57.03 57.19 1bxc h ASP 79 Cb -0.09 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.41 1bxc h ASP 79 CO -0.06 0.25 0.57 -0.33 -1.72 0.00 0.00 179.24 177.96 1bxc h GLU 80 N -0.41 0.60 0.00 3.56 5.08 -0.02 -3.17 114.58 120.22 1bxc h GLU 80 Ca -0.01 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.11 1bxc h GLU 80 Cb 0.36 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1bxc h GLU 80 CO 0.01 0.39 -2.20 0.25 -1.00 0.00 0.00 179.01 176.47 1bxc n THR 81 N -4.55 0.78 -0.98 1.13 -2.24 -0.45 -4.98 114.28 102.98 1bxc n THR 81 Ca 0.18 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1bxc n THR 81 Cb 0.52 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1bxc n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxc n GLY 82 N 1.56 0.49 3.77 3.38 0.00 0.11 -5.01 105.19 109.48 1bxc n GLY 82 Ca -0.20 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 1bxc n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxc s LEU 83 N 0.00 4.40 0.50 0.99 1.43 -1.17 -5.00 118.68 119.82 1bxc s LEU 83 Ca 0.00 2.49 -0.01 0.00 -1.03 0.00 0.00 54.13 55.58 1bxc s LEU 83 Cb 0.00 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1bxc s LEU 83 CO 0.00 -0.48 0.74 -0.54 0.23 0.00 0.00 176.35 176.30 1bxc s LYS 84 N -1.84 2.96 -0.60 1.70 -0.14 -0.89 -4.80 119.74 116.13 1bxc s LYS 84 Ca 0.50 -0.41 0.04 0.00 -1.36 0.00 0.00 55.97 54.74 1bxc s LYS 84 Cb -0.35 -2.48 0.15 0.00 -1.68 0.00 0.00 37.83 33.46 1bxc s LYS 84 CO 0.46 -0.43 0.36 0.08 -0.76 0.00 0.00 175.35 175.06 1bxc s VAL 85 N -2.69 2.64 0.32 3.17 1.01 -1.26 -0.98 120.40 122.61 1bxc s VAL 85 Ca 0.51 -3.71 0.06 0.00 0.00 0.00 0.00 61.98 58.84 1bxc s VAL 85 Cb -0.10 -2.79 0.09 0.00 0.00 0.00 0.00 36.38 33.59 1bxc s VAL 85 CO 0.40 -0.90 1.79 -0.65 0.00 0.00 0.00 175.10 175.73 1bxc h PRO 86 N 6.00 0.34 -3.70 2.72 0.11 -1.87 -3.15 132.00 132.44 1bxc h PRO 86 Ca 0.03 -0.12 -0.29 0.00 0.11 0.00 0.00 66.00 65.73 1bxc h PRO 86 Cb 0.83 -0.03 -0.32 0.00 0.11 0.00 0.00 31.00 31.60 1bxc h PRO 86 CO 0.69 0.57 -0.73 1.41 -0.21 0.00 0.00 178.00 179.72 1bxc s MET 87 N -4.50 0.10 0.31 1.05 -2.45 -1.26 -1.25 119.30 111.29 1bxc s MET 87 Ca -0.06 0.07 0.06 0.00 -1.25 0.00 0.00 55.69 54.51 1bxc s MET 87 Cb 0.14 -0.25 -0.06 0.00 1.25 0.00 0.00 34.83 35.92 1bxc s MET 87 CO 0.77 -0.08 -0.03 0.14 1.05 0.00 0.00 175.02 176.86 1bxc s VAL 88 N 0.63 1.62 -0.28 10.11 -7.23 -0.95 -3.18 120.40 121.11 1bxc s VAL 88 Ca -0.06 -2.09 -0.20 0.00 -1.81 0.00 0.00 61.98 57.82 1bxc s VAL 88 Cb -0.08 -2.59 0.11 0.00 0.56 0.00 0.00 36.38 34.38 1bxc s VAL 88 CO -0.02 -0.20 0.86 0.28 -0.31 0.00 0.00 175.10 175.71 1bxc s THR 89 N -3.02 0.00 0.10 5.32 -1.32 -1.05 -1.64 115.64 114.03 1bxc s THR 89 Ca 0.32 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.49 1bxc s THR 89 Cb 0.05 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.98 1bxc s THR 89 CO 0.14 0.00 1.26 -0.83 -2.21 0.00 0.00 174.62 172.97 1bxc s GLY 90 N 0.97 2.33 -0.55 6.08 0.00 -1.26 -3.18 107.32 111.70 1bxc s GLY 90 Ca -0.05 0.95 -0.27 0.00 0.00 0.00 0.00 44.72 45.36 1bxc s GLY 90 CO -0.11 2.10 1.74 0.21 0.00 0.00 0.00 173.10 177.04 1bxc s ASN 91 N 0.89 5.59 -0.35 1.64 3.84 -1.26 -4.85 114.94 120.44 1bxc s ASN 91 Ca 0.59 0.49 0.06 0.00 0.21 0.00 0.00 52.86 54.22 1bxc s ASN 91 Cb -0.32 -2.53 0.48 0.00 -0.55 0.00 0.00 41.25 38.32 1bxc s ASN 91 CO 0.31 -2.09 1.46 0.18 -2.79 0.00 0.00 177.10 174.16 1bxc n LEU 92 N 11.52 4.99 0.00 3.21 4.77 -1.26 -4.64 117.00 135.59 1bxc n LEU 92 Ca 0.19 -4.24 0.00 0.00 -0.03 0.00 0.00 56.01 51.93 1bxc n LEU 92 Cb 0.50 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1bxc n LEU 92 CO 0.71 1.62 -0.19 2.22 -1.33 0.00 0.00 177.39 180.41 1bxc n PHE 93 N -0.94 0.00 -0.09 -1.77 1.16 -1.26 -4.53 117.46 110.03 1bxc n PHE 93 Ca 0.42 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.81 1bxc n PHE 93 Cb 0.93 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.69 1bxc n PHE 93 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 1bxc h SER 94 N 0.00 0.00 -1.73 5.98 0.02 -1.97 -3.46 113.55 112.39 1bxc h SER 94 Ca 0.00 -0.60 -0.67 0.00 -0.84 0.00 0.00 61.79 59.68 1bxc h SER 94 Cb 0.05 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.64 1bxc h SER 94 CO 0.00 1.32 0.50 -0.67 -1.14 0.00 0.00 176.83 176.84 1bxc n ASP 95 N -4.49 1.80 0.33 3.07 -0.08 -1.26 -4.84 116.55 111.09 1bxc n ASP 95 Ca -0.25 1.11 0.21 0.00 -1.51 0.00 0.00 54.79 54.35 1bxc n ASP 95 Cb 0.60 -1.21 1.10 0.00 2.34 0.00 0.00 41.12 43.95 1bxc n ASP 95 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1bxc h PRO 96 N 4.76 0.00 -0.71 -0.67 0.11 -2.02 -1.23 132.00 132.24 1bxc h PRO 96 Ca -0.47 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.83 1bxc h PRO 96 Cb 1.33 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 1bxc h PRO 96 CO 0.79 0.00 0.51 0.78 -0.21 0.00 0.00 178.00 179.87 1bxc h GLY 97 N 0.00 0.14 -2.42 -0.55 0.00 -1.97 -0.88 103.07 97.38 1bxc h GLY 97 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1bxc h GLY 97 CO -0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 1bxc n PHE 98 N -4.36 1.15 -0.05 5.60 3.72 -0.46 -4.54 117.46 118.52 1bxc n PHE 98 Ca 0.14 -0.44 0.16 0.00 -0.05 0.00 0.00 57.45 57.26 1bxc n PHE 98 Cb 0.74 -0.24 0.58 0.00 -0.94 0.00 0.00 39.48 39.61 1bxc n PHE 98 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1bxc h LYS 99 N 2.81 0.22 -0.82 -1.08 2.10 -1.32 -0.40 116.57 118.09 1bxc h LYS 99 Ca 0.00 -0.01 -0.52 0.00 -2.00 0.00 0.00 60.65 58.11 1bxc h LYS 99 Cb 1.21 -0.05 -0.43 0.00 -0.90 0.00 0.00 32.23 32.06 1bxc h LYS 99 CO 0.22 0.15 -0.84 -3.47 -2.00 0.00 0.00 179.45 173.50 1bxc n ASP 100 N -4.44 4.55 0.00 7.07 2.03 -1.26 -5.07 116.55 119.43 1bxc n ASP 100 Ca 0.10 -3.57 0.00 0.00 0.52 0.00 0.00 54.79 51.84 1bxc n ASP 100 Cb 0.49 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 1bxc n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bxc n GLY 101 N -0.66 3.45 0.00 0.27 0.00 -0.16 -3.76 105.19 104.32 1bxc n GLY 101 Ca 0.40 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1bxc n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxc n GLY 102 N -1.04 0.59 0.21 -0.02 0.00 -1.26 -4.02 105.19 99.65 1bxc n GLY 102 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1bxc n GLY 102 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1bxc h PHE 103 N 0.00 0.00 -0.43 1.61 0.04 -1.89 -3.01 116.94 113.26 1bxc h PHE 103 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1bxc h PHE 103 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1bxc h PHE 103 CO 0.00 0.27 0.00 0.25 -0.60 0.00 0.00 178.31 178.23 1bxc n THR 104 N -3.53 2.07 -1.99 -1.55 -2.24 -1.26 -4.57 114.28 101.21 1bxc n THR 104 Ca -0.00 -1.48 -0.38 0.00 -2.27 0.00 0.00 64.05 59.91 1bxc n THR 104 Cb 0.42 -0.04 0.01 0.00 -2.10 0.00 0.00 70.33 68.62 1bxc n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1bxc s SER 105 N -1.31 5.84 0.43 3.42 0.15 -1.14 -4.74 113.70 116.36 1bxc s SER 105 Ca 0.44 2.61 0.25 0.00 0.70 0.00 0.00 55.95 59.96 1bxc s SER 105 Cb 0.32 -2.63 0.61 0.00 -1.71 0.00 0.00 66.02 62.61 1bxc s SER 105 CO 0.15 -1.17 1.70 0.08 1.20 0.00 0.00 173.24 175.21 1bxc h ARG 106 N 2.01 0.00 -5.55 5.44 -0.00 -1.93 -3.43 114.38 110.92 1bxc h ARG 106 Ca -0.50 0.00 -0.62 0.00 -0.00 0.00 0.00 59.98 58.86 1bxc h ARG 106 Cb 1.27 0.00 -0.12 0.00 -0.00 0.00 0.00 29.97 31.12 1bxc h ARG 106 CO 0.60 0.00 0.20 0.34 -0.00 0.00 0.00 179.97 181.10 1bxc s ASP 107 N -5.87 6.53 0.56 0.08 -1.08 -1.26 -4.95 116.67 110.68 1bxc s ASP 107 Ca 0.06 0.46 0.30 0.00 -0.52 0.00 0.00 52.55 52.85 1bxc s ASP 107 Cb 0.07 -2.35 1.67 0.00 -1.46 0.00 0.00 42.92 40.85 1bxc s ASP 107 CO 0.63 -0.51 2.16 1.55 0.52 0.00 0.00 175.17 179.52 1bxc h PRO 108 N 8.19 0.00 -0.15 4.34 0.13 -2.00 -1.02 132.00 141.49 1bxc h PRO 108 Ca -0.26 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.79 1bxc h PRO 108 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1bxc h PRO 108 CO 0.82 0.06 -0.26 -1.49 -0.23 0.00 0.00 178.00 176.90 1bxc h TRP 109 N 0.00 0.30 0.16 1.56 4.06 -1.96 -1.25 115.95 118.83 1bxc h TRP 109 Ca -0.00 -0.06 -0.30 0.00 2.06 0.00 0.00 58.89 60.59 1bxc h TRP 109 Cb 0.19 -0.08 0.01 0.00 -1.00 0.00 0.00 29.16 28.28 1bxc h TRP 109 CO 0.00 0.52 -1.38 0.28 -3.56 0.00 0.00 178.44 174.30 1bxc h VAL 110 N 0.25 1.35 -0.34 1.49 2.07 -1.57 -1.91 116.25 117.59 1bxc h VAL 110 Ca 0.04 -2.90 -0.06 0.00 0.82 0.00 0.00 66.70 64.60 1bxc h VAL 110 Cb 0.60 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 1bxc h VAL 110 CO 0.04 0.86 -0.04 0.03 0.02 0.00 0.00 177.57 178.48 1bxc h ARG 111 N 0.09 0.55 -0.25 1.57 3.08 -1.29 0.42 114.38 118.56 1bxc h ARG 111 Ca -0.20 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 1bxc h ARG 111 Cb 2.04 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 32.01 1bxc h ARG 111 CO 0.21 0.60 0.07 0.00 -1.07 0.00 0.00 179.97 179.78 1bxc h ALA 112 N 1.45 0.32 -0.09 0.04 0.00 -1.24 -1.87 119.26 117.87 1bxc h ALA 112 Ca 0.11 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1bxc h ALA 112 Cb 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1bxc h ALA 112 CO 0.02 -0.03 -0.05 -0.92 0.00 0.00 0.00 179.25 178.26 1bxc h TYR 113 N 0.23 -0.12 -0.94 0.00 3.20 -0.76 -0.89 116.97 117.69 1bxc h TYR 113 Ca 0.08 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.07 1bxc h TYR 113 Cb 0.26 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.52 1bxc h TYR 113 CO 0.01 -0.09 0.58 0.00 -1.64 0.00 0.00 178.16 177.02 1bxc h ALA 114 N 1.03 1.38 0.52 1.82 0.00 -0.89 -1.22 119.26 121.90 1bxc h ALA 114 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1bxc h ALA 114 Cb 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1bxc h ALA 114 CO -0.12 0.20 -0.33 0.35 0.00 0.00 0.00 179.25 179.34 1bxc h PHE 115 N 0.94 -0.90 -0.80 0.00 3.04 -1.00 -2.53 116.94 115.69 1bxc h PHE 115 Ca 0.46 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.50 1bxc h PHE 115 Cb 0.42 0.32 -0.06 0.00 2.56 0.00 0.00 35.95 39.19 1bxc h PHE 115 CO -0.02 -0.49 0.52 -0.09 -2.02 0.00 0.00 178.31 176.21 1bxc h ARG 116 N -0.80 0.71 -0.60 1.11 2.43 -0.90 -1.37 114.38 114.95 1bxc h ARG 116 Ca -0.07 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 1bxc h ARG 116 Cb 0.65 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1bxc h ARG 116 CO 0.06 0.47 0.18 -0.22 -1.51 0.00 0.00 179.97 178.96 1bxc h LYS 117 N 0.73 0.91 -0.17 0.20 3.64 -1.26 -1.32 116.57 119.31 1bxc h LYS 117 Ca 0.37 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1bxc h LYS 117 Cb 0.45 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1bxc h LYS 117 CO -0.14 0.79 -0.03 0.77 -2.27 0.00 0.00 179.45 178.56 1bxc h SER 118 N 0.88 0.32 -0.84 4.20 0.02 -0.92 -2.64 113.55 114.57 1bxc h SER 118 Ca 0.20 -0.36 0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1bxc h SER 118 Cb 0.26 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 1bxc h SER 118 CO -0.01 0.60 0.54 -0.07 -1.14 0.00 0.00 176.83 176.75 1bxc h LEU 119 N 0.03 0.89 -1.24 5.07 3.38 -0.87 -0.57 115.31 122.01 1bxc h LEU 119 Ca 0.04 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1bxc h LEU 119 Cb 0.46 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1bxc h LEU 119 CO 0.01 0.62 -0.34 -0.33 0.09 0.00 0.00 178.44 178.49 1bxc h GLU 120 N 1.05 0.00 0.05 1.13 5.08 -1.26 -1.76 114.58 118.87 1bxc h GLU 120 Ca 0.33 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.45 1bxc h GLU 120 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1bxc h GLU 120 CO -0.11 0.34 -1.18 1.15 -1.00 0.00 0.00 179.01 178.21 1bxc h THR 121 N 0.00 1.53 -0.78 1.13 2.02 -0.95 -2.26 112.91 113.60 1bxc h THR 121 Ca -0.00 -3.20 0.00 0.00 0.77 0.00 0.00 66.41 63.98 1bxc h THR 121 Cb 0.71 2.84 -0.04 0.00 -1.74 0.00 0.00 68.15 69.92 1bxc h THR 121 CO 0.04 0.90 0.49 0.24 0.37 0.00 0.00 175.52 177.57 1bxc h MET 122 N 0.03 1.04 -0.18 6.66 2.86 -0.75 -0.08 114.93 124.51 1bxc h MET 122 Ca -0.09 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 1bxc h MET 122 Cb 1.88 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 33.31 1bxc h MET 122 CO 0.15 0.71 -0.15 -0.44 1.06 0.00 0.00 176.91 178.24 1bxc h ASP 123 N 1.06 0.44 -0.96 1.22 3.32 -1.25 -2.05 116.42 118.20 1bxc h ASP 123 Ca 0.28 -0.46 0.02 0.00 0.02 0.00 0.00 57.03 56.89 1bxc h ASP 123 Cb -0.08 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 1bxc h ASP 123 CO -0.06 0.81 0.63 0.25 -1.72 0.00 0.00 179.24 179.16 1bxc h LEU 124 N 0.08 1.08 -0.75 1.55 5.85 -1.29 -2.06 115.31 119.77 1bxc h LEU 124 Ca 0.03 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1bxc h LEU 124 Cb 0.68 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1bxc h LEU 124 CO 0.04 0.76 0.44 1.23 -0.34 0.00 0.00 178.44 180.57 1bxc h GLY 125 N 1.26 1.10 1.26 3.75 0.00 -0.73 -2.53 103.07 107.18 1bxc h GLY 125 Ca 0.36 -0.47 -0.15 0.00 0.00 0.00 0.00 47.33 47.07 1bxc h GLY 125 CO -0.09 0.45 -0.39 0.00 0.00 0.00 0.00 176.54 176.51 1bxc h ALA 126 N 1.23 0.67 0.00 3.60 0.00 -1.07 0.76 119.26 124.46 1bxc h ALA 126 Ca 0.27 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1bxc h ALA 126 Cb -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1bxc h ALA 126 CO -0.05 0.67 0.00 1.49 0.00 0.00 0.00 179.25 181.36 1bxc h GLU 127 N 0.67 0.00 -0.00 0.00 4.81 -0.98 -2.84 114.58 116.24 1bxc h GLU 127 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1bxc h GLU 127 Cb 0.95 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1bxc h GLU 127 CO 0.09 0.00 -0.03 1.28 -0.73 0.00 0.00 179.01 179.62 1bxc n LEU 128 N -2.32 0.74 0.00 1.64 4.77 -0.39 -5.00 117.00 116.43 1bxc n LEU 128 Ca -0.01 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1bxc n LEU 128 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1bxc n LEU 128 CO 0.11 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1bxc n GLY 129 N 0.46 0.88 3.76 -0.72 0.00 -0.31 -4.44 105.19 104.83 1bxc n GLY 129 Ca 0.01 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1bxc n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxc s ALA 130 N -2.00 3.11 -0.01 4.61 0.00 0.11 -4.80 121.76 122.78 1bxc s ALA 130 Ca 0.00 1.18 0.02 0.00 0.00 0.00 0.00 51.96 53.16 1bxc s ALA 130 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1bxc s ALA 130 CO 0.00 -0.88 0.03 -0.85 0.00 0.00 0.00 175.76 174.06 1bxc n GLU 131 N -0.22 1.36 -5.17 0.00 0.28 -0.75 -4.67 120.64 111.47 1bxc n GLU 131 Ca 0.06 -0.01 -0.32 0.00 -0.16 0.00 0.00 57.16 56.73 1bxc n GLU 131 Cb 0.45 -1.05 -0.16 0.00 1.43 0.00 0.00 31.44 32.11 1bxc n GLU 131 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1bxc s ILE 132 N -2.11 2.21 -0.19 3.84 1.01 -0.38 -2.07 121.20 123.51 1bxc s ILE 132 Ca -0.01 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 1bxc s ILE 132 Cb 0.01 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 1bxc s ILE 132 CO 0.08 0.56 -0.08 -0.47 0.00 0.00 0.00 174.94 175.03 1bxc s TYR 133 N 0.17 2.90 -0.12 3.97 6.14 -0.40 -2.23 117.35 127.79 1bxc s TYR 133 Ca -0.13 -0.95 -0.05 0.00 0.64 0.00 0.00 57.07 56.58 1bxc s TYR 133 Cb -0.16 -2.02 -0.04 0.00 0.42 0.00 0.00 41.96 40.16 1bxc s TYR 133 CO 0.07 -0.50 0.08 0.08 0.64 0.00 0.00 175.55 175.92 1bxc s VAL 134 N 1.18 4.97 -0.30 3.14 1.01 -0.65 0.41 120.40 130.14 1bxc s VAL 134 Ca 0.02 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1bxc s VAL 134 Cb -0.14 -3.15 0.07 0.00 0.00 0.00 0.00 36.38 33.16 1bxc s VAL 134 CO -0.03 0.59 -0.01 -0.69 0.00 0.00 0.00 175.10 174.97 1bxc s VAL 135 N -0.78 2.55 -0.31 2.92 1.01 0.25 -4.39 120.40 121.66 1bxc s VAL 135 Ca 0.13 -1.76 -0.09 0.00 0.00 0.00 0.00 61.98 60.25 1bxc s VAL 135 Cb -0.12 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1bxc s VAL 135 CO 0.03 -0.24 0.14 0.86 0.00 0.00 0.00 175.10 175.88 1bxc s TRP 136 N 1.11 3.17 -0.71 5.22 -0.00 -1.26 -0.81 118.94 125.65 1bxc s TRP 136 Ca -0.02 -0.60 -0.05 0.00 -0.00 0.00 0.00 56.10 55.44 1bxc s TRP 136 Cb -0.20 -2.34 0.02 0.00 -0.00 0.00 0.00 33.47 30.95 1bxc s TRP 136 CO -0.04 -0.46 2.81 -0.35 -0.00 0.00 0.00 176.95 178.91 1bxc n PRO 137 N 4.97 3.05 0.23 5.86 -0.04 -1.26 -4.74 135.00 143.07 1bxc n PRO 137 Ca -0.14 -2.44 0.07 0.00 -0.04 0.00 0.00 63.50 60.95 1bxc n PRO 137 Cb 0.49 -2.30 0.57 0.00 -0.04 0.00 0.00 33.50 32.21 1bxc n PRO 137 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1bxc h GLY 138 N 4.77 0.00 -2.09 0.55 0.00 -1.91 -1.89 103.07 102.50 1bxc h GLY 138 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1bxc h GLY 138 CO 1.01 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 175.42 1bxc n ARG 139 N -4.12 2.41 -3.09 4.80 3.00 -1.26 -3.88 116.66 114.51 1bxc n ARG 139 Ca -0.02 -2.09 -0.44 0.00 -0.00 0.00 0.00 57.85 55.29 1bxc n ARG 139 Cb 0.24 -1.49 -0.00 0.00 0.00 0.00 0.00 32.46 31.22 1bxc n ARG 139 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1bxc s GLU 140 N -1.74 4.14 0.00 -0.14 0.41 -0.71 -3.38 118.70 117.27 1bxc s GLU 140 Ca 0.34 -2.82 0.00 0.00 -0.41 0.00 0.00 54.97 52.08 1bxc s GLU 140 Cb 0.21 -4.88 0.00 0.00 -1.78 0.00 0.00 34.13 27.68 1bxc s GLU 140 CO 0.31 -1.58 0.00 0.41 -0.49 0.00 0.00 175.26 173.91 1bxc n GLY 141 N 3.59 2.19 3.18 -1.39 0.00 -1.26 -1.36 105.19 110.14 1bxc n GLY 141 Ca 0.32 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1bxc n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxc s ALA 142 N -1.00 -0.30 0.00 4.61 0.00 -0.67 -4.90 121.76 119.50 1bxc s ALA 142 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1bxc s ALA 142 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.44 1bxc s ALA 142 CO 0.00 -0.39 0.00 -0.85 0.00 0.00 0.00 175.76 174.52 1bxc n GLU 143 N 0.54 4.50 -4.05 0.00 0.00 -1.26 -2.92 120.64 117.45 1bxc n GLU 143 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.66 1bxc n GLU 143 Cb 0.60 -0.62 -0.15 0.00 0.00 0.00 0.00 31.44 31.26 1bxc n GLU 143 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1bxc s VAL 144 N -1.22 2.23 -1.14 3.84 1.01 -1.26 -4.96 120.40 118.90 1bxc s VAL 144 Ca 0.00 -1.86 0.27 0.00 0.00 0.00 0.00 61.98 60.40 1bxc s VAL 144 Cb 0.00 -2.42 0.19 0.00 0.00 0.00 0.00 36.38 34.15 1bxc s VAL 144 CO 0.00 -0.21 1.72 1.21 0.00 0.00 0.00 175.10 177.81 1bxc n GLU 145 N 4.38 0.15 0.12 2.72 4.07 -1.26 -3.88 120.64 126.93 1bxc n GLU 145 Ca -0.08 -0.05 0.11 0.00 -0.06 0.00 0.00 57.16 57.07 1bxc n GLU 145 Cb 0.42 -1.50 0.47 0.00 -0.06 0.00 0.00 31.44 30.77 1bxc n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bxc n ALA 146 N -1.38 1.56 0.19 4.31 0.00 -1.26 -1.97 120.51 121.96 1bxc n ALA 146 Ca 0.08 0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.67 1bxc n ALA 146 Cb 0.33 -1.35 0.30 0.00 0.00 0.00 0.00 19.45 18.72 1bxc n ALA 146 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1bxc h THR 147 N 0.00 0.69 -0.12 0.00 1.35 -2.03 -3.47 112.91 109.34 1bxc h THR 147 Ca 0.00 -1.51 -0.05 0.00 -0.55 0.00 0.00 66.41 64.29 1bxc h THR 147 Cb 0.29 2.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 1bxc h THR 147 CO 0.00 0.32 -0.05 0.61 -0.25 0.00 0.00 175.52 176.15 1bxc n GLY 148 N 0.51 0.51 0.31 5.82 0.00 -0.83 -4.90 105.19 106.61 1bxc n GLY 148 Ca 0.01 -0.19 0.20 0.00 0.00 0.00 0.00 46.02 46.04 1bxc n GLY 148 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bxc h LYS 149 N 0.42 0.00 0.00 1.61 3.64 -1.90 -2.58 116.57 117.75 1bxc h LYS 149 Ca -0.05 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1bxc h LYS 149 Cb 0.45 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1bxc h LYS 149 CO 0.08 0.01 -0.01 0.00 -2.27 0.00 0.00 179.45 177.25 1bxc h ALA 150 N 1.99 1.22 0.00 5.00 0.00 -1.91 -0.43 119.26 125.14 1bxc h ALA 150 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1bxc h ALA 150 Cb 0.26 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1bxc h ALA 150 CO 0.00 0.01 -0.37 0.00 0.00 0.00 0.00 179.25 178.89 1bxc h ARG 151 N 0.00 0.00 0.00 0.00 2.47 -1.88 -3.37 114.38 111.61 1bxc h ARG 151 Ca -0.00 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 1bxc h ARG 151 Cb 0.05 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 1bxc h ARG 151 CO 0.00 0.37 -2.04 1.63 0.56 0.00 0.00 179.97 180.49 1bxc n LYS 152 N -3.35 0.72 0.22 0.04 5.02 -0.20 -4.58 118.16 116.04 1bxc n LYS 152 Ca 0.01 -0.13 0.09 0.00 -2.02 0.00 0.00 58.31 56.26 1bxc n LYS 152 Cb 0.58 -1.48 0.51 0.00 -0.02 0.00 0.00 35.03 34.61 1bxc n LYS 152 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1bxc h VAL 153 N 0.00 0.73 -0.25 -0.18 -1.51 -1.65 -3.01 116.25 110.37 1bxc h VAL 153 Ca -0.17 -1.04 -0.02 0.00 -1.23 0.00 0.00 66.70 64.24 1bxc h VAL 153 Cb 1.33 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 32.13 1bxc h VAL 153 CO 0.01 0.24 0.06 -0.50 -1.23 0.00 0.00 177.57 176.15 1bxc h TRP 154 N 0.00 0.42 -0.51 5.19 4.06 -1.83 -1.86 115.95 121.42 1bxc h TRP 154 Ca -0.00 -0.05 -0.07 0.00 2.06 0.00 0.00 58.89 60.83 1bxc h TRP 154 Cb 0.63 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.65 1bxc h TRP 154 CO 0.00 0.49 0.05 -0.44 -3.56 0.00 0.00 178.44 174.98 1bxc h ASP 155 N 0.24 0.79 -0.01 -3.49 3.32 -1.86 -2.03 116.42 113.37 1bxc h ASP 155 Ca 0.08 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 1bxc h ASP 155 Cb 0.28 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1bxc h ASP 155 CO 0.00 0.82 -0.20 -0.50 -1.72 0.00 0.00 179.24 177.65 1bxc h TRP 156 N 0.78 0.41 0.00 4.55 6.55 -1.29 -2.01 115.95 124.94 1bxc h TRP 156 Ca 0.16 -0.07 -0.27 0.00 0.95 0.00 0.00 58.89 59.66 1bxc h TRP 156 Cb 0.40 -0.11 -0.05 0.00 -0.86 0.00 0.00 29.16 28.55 1bxc h TRP 156 CO 0.02 0.55 -1.65 1.33 -1.05 0.00 0.00 178.44 177.64 1bxc n VAL 157 N -4.18 1.54 -0.27 1.49 0.24 -0.75 -3.82 118.33 112.58 1bxc n VAL 157 Ca -0.00 -0.78 0.05 0.00 -2.04 0.00 0.00 64.34 61.57 1bxc n VAL 157 Cb 0.35 -0.99 0.19 0.00 -1.47 0.00 0.00 33.84 31.92 1bxc n VAL 157 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1bxc h ARG 158 N 0.00 0.55 -0.32 7.34 3.08 -1.28 -1.91 114.38 121.83 1bxc h ARG 158 Ca -0.26 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 1bxc h ARG 158 Cb 1.94 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.85 1bxc h ARG 158 CO 0.07 0.36 0.16 1.49 -1.07 0.00 0.00 179.97 180.99 1bxc h GLU 159 N 0.57 0.46 0.12 0.04 4.81 -1.46 0.58 114.58 119.70 1bxc h GLU 159 Ca 0.42 -0.06 -0.29 0.00 -0.13 0.00 0.00 59.36 59.30 1bxc h GLU 159 Cb 0.58 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1bxc h GLU 159 CO -0.35 0.42 -1.39 -1.00 -0.73 0.00 0.00 179.01 175.95 1bxc h PRO 160 N 0.39 0.25 -0.10 0.92 0.13 -1.66 -1.19 132.00 130.75 1bxc h PRO 160 Ca 0.11 -0.43 0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1bxc h PRO 160 Cb 0.10 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.37 1bxc h PRO 160 CO -0.02 1.15 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.83 1bxc h LEU 161 N 0.07 -0.04 -0.58 1.56 3.38 -1.23 0.71 115.31 119.18 1bxc h LEU 161 Ca -0.19 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1bxc h LEU 161 Cb 1.99 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.74 1bxc h LEU 161 CO 0.18 -0.01 0.33 0.78 0.09 0.00 0.00 178.44 179.81 1bxc h ASN 162 N 0.03 0.52 -0.27 -0.43 2.35 -0.96 -0.31 115.58 116.51 1bxc h ASN 162 Ca 0.04 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 1bxc h ASN 162 Cb 0.05 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1bxc h ASN 162 CO -0.08 0.36 -0.12 0.15 -1.65 0.00 0.00 177.43 176.09 1bxc h PHE 163 N 0.65 0.74 -0.34 1.19 3.04 -0.75 -2.06 116.94 119.41 1bxc h PHE 163 Ca 0.24 -0.13 -0.06 0.00 3.98 0.00 0.00 57.97 62.00 1bxc h PHE 163 Cb 0.08 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.38 1bxc h PHE 163 CO -0.07 0.77 -0.04 0.52 -2.02 0.00 0.00 178.31 177.47 1bxc h MET 164 N 0.62 0.62 -0.38 1.11 2.86 0.13 -1.30 114.93 118.59 1bxc h MET 164 Ca 0.11 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 1bxc h MET 164 Cb 0.56 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1bxc h MET 164 CO 0.04 0.77 -0.01 0.00 1.06 0.00 0.00 176.91 178.76 1bxc h ALA 165 N 0.83 1.28 -0.14 6.32 0.00 -0.93 -1.54 119.26 125.08 1bxc h ALA 165 Ca 0.09 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1bxc h ALA 165 Cb 0.51 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1bxc h ALA 165 CO 0.02 0.49 -0.54 0.00 0.00 0.00 0.00 179.25 179.22 1bxc h ALA 166 N 1.42 0.26 -0.91 0.00 0.00 -1.29 -2.54 119.26 116.20 1bxc h ALA 166 Ca 0.12 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1bxc h ALA 166 Cb 0.38 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1bxc h ALA 166 CO 0.01 0.47 0.60 -0.92 0.00 0.00 0.00 179.25 179.41 1bxc h TYR 167 N 0.27 1.12 -0.28 0.00 3.20 -1.06 -0.66 116.97 119.57 1bxc h TYR 167 Ca -0.03 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1bxc h TYR 167 Cb 1.18 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1bxc h TYR 167 CO 0.10 0.67 -0.04 0.00 -1.64 0.00 0.00 178.16 177.25 1bxc h ALA 168 N 1.46 0.38 0.00 1.82 0.00 -1.23 -1.18 119.26 120.51 1bxc h ALA 168 Ca 0.35 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1bxc h ALA 168 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1bxc h ALA 168 CO -0.10 0.17 -0.28 1.05 0.00 0.00 0.00 179.25 180.09 1bxc h GLU 169 N 0.28 0.00 -0.25 0.00 4.11 -1.30 -0.19 114.58 117.23 1bxc h GLU 169 Ca 0.07 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.34 1bxc h GLU 169 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1bxc h GLU 169 CO 0.02 0.28 -0.50 0.22 0.07 0.00 0.00 179.01 179.10 1bxc h ASP 170 N 0.00 0.76 0.47 3.06 3.58 -0.92 -3.02 116.42 120.35 1bxc h ASP 170 Ca -0.00 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.06 1bxc h ASP 170 Cb 0.90 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1bxc h ASP 170 CO 0.04 1.12 -0.29 0.00 -2.88 0.00 0.00 179.24 177.23 1bxc n GLN 171 N -4.00 0.35 -1.86 0.28 1.13 -0.46 -4.93 117.38 107.89 1bxc n GLN 171 Ca -0.03 -0.17 -0.08 0.00 -1.94 0.00 0.00 57.00 54.78 1bxc n GLN 171 Cb 0.59 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.43 1bxc n GLN 171 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bxc n GLY 172 N 1.41 0.35 3.81 1.08 0.00 -0.42 -5.02 105.19 106.39 1bxc n GLY 172 Ca 0.09 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 1bxc n GLY 172 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxc s TYR 173 N -2.37 3.09 -0.29 1.61 2.02 -0.22 -5.00 117.35 116.19 1bxc s TYR 173 Ca 0.00 1.55 0.11 0.00 -0.37 0.00 0.00 57.07 58.37 1bxc s TYR 173 Cb 0.00 -2.99 0.73 0.00 -0.40 0.00 0.00 41.96 39.30 1bxc s TYR 173 CO 0.00 -0.75 1.75 0.41 -1.57 0.00 0.00 175.55 175.39 1bxc n GLY 174 N -0.62 3.64 3.73 0.71 0.00 -1.26 -4.55 105.19 106.84 1bxc n GLY 174 Ca 0.09 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1bxc n GLY 174 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxc s TYR 175 N -2.96 2.84 0.02 1.61 2.02 -1.26 -4.92 117.35 114.69 1bxc s TYR 175 Ca 0.54 0.54 -0.13 0.00 -0.37 0.00 0.00 57.07 57.65 1bxc s TYR 175 Cb 0.43 -4.11 -0.06 0.00 -0.40 0.00 0.00 41.96 37.83 1bxc s TYR 175 CO 0.13 -3.98 0.39 1.03 -1.57 0.00 0.00 175.55 171.55 1bxc s ARG 176 N 0.43 3.84 -0.26 -0.62 0.52 -0.88 -4.98 118.95 117.00 1bxc s ARG 176 Ca 0.70 0.31 -0.10 0.00 -0.52 0.00 0.00 55.73 56.12 1bxc s ARG 176 Cb -0.49 -3.15 -0.05 0.00 0.52 0.00 0.00 34.95 31.78 1bxc s ARG 176 CO 0.39 0.66 0.16 -0.06 0.02 0.00 0.00 175.30 176.47 1bxc s PHE 177 N -1.17 3.24 -0.23 -0.53 0.40 0.80 -1.27 117.98 119.21 1bxc s PHE 177 Ca 0.26 0.09 -0.05 0.00 -0.60 0.00 0.00 56.93 56.63 1bxc s PHE 177 Cb -0.16 -2.32 -0.01 0.00 0.51 0.00 0.00 43.02 41.04 1bxc s PHE 177 CO 0.14 -0.10 -0.01 0.00 0.70 0.00 0.00 175.22 175.95 1bxc s ALA 178 N 1.48 2.90 -0.20 5.36 0.00 0.16 0.47 121.76 131.95 1bxc s ALA 178 Ca 0.07 -1.17 -0.13 0.00 0.00 0.00 0.00 51.96 50.73 1bxc s ALA 178 Cb -0.15 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 1bxc s ALA 178 CO 0.08 -0.47 0.26 -0.51 0.00 0.00 0.00 175.76 175.12 1bxc s LEU 179 N 1.51 4.19 -0.36 0.00 1.43 0.84 -0.58 118.68 125.70 1bxc s LEU 179 Ca 0.06 0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 53.48 1bxc s LEU 179 Cb -0.15 -2.30 0.06 0.00 0.03 0.00 0.00 46.19 43.84 1bxc s LEU 179 CO -0.01 0.06 0.12 -0.70 0.23 0.00 0.00 176.35 176.05 1bxc s GLU 180 N 0.79 2.42 0.57 1.70 2.12 0.01 -1.34 118.70 124.97 1bxc s GLU 180 Ca 0.14 -1.40 -0.16 0.00 0.36 0.00 0.00 54.97 53.91 1bxc s GLU 180 Cb -0.13 -3.47 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 1bxc s GLU 180 CO 0.04 -0.79 1.03 -1.25 -0.54 0.00 0.00 175.26 173.75 1bxc s PRO 181 N 1.31 3.54 -0.22 4.30 0.05 -1.26 -4.10 135.00 138.62 1bxc s PRO 181 Ca 0.00 1.08 -0.17 0.00 0.05 0.00 0.00 61.00 61.97 1bxc s PRO 181 Cb -0.21 -2.07 0.06 0.00 0.05 0.00 0.00 34.50 32.33 1bxc s PRO 181 CO 0.00 -0.62 0.56 0.21 0.05 0.00 0.00 177.00 177.20 1bxc s LYS 182 N -4.17 0.61 0.21 4.56 2.20 -1.06 -4.71 119.74 117.38 1bxc s LYS 182 Ca 0.61 0.89 0.08 0.00 -0.36 0.00 0.00 55.97 57.20 1bxc s LYS 182 Cb -0.13 0.20 0.15 0.00 -1.51 0.00 0.00 37.83 36.54 1bxc s LYS 182 CO 0.37 -0.11 1.49 -1.00 -0.36 0.00 0.00 175.35 175.73 1bxc h PRO 183 N 6.08 0.05 -2.87 4.03 0.13 -1.73 -3.36 132.00 134.33 1bxc h PRO 183 Ca -0.30 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 64.81 1bxc h PRO 183 Cb 1.19 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1bxc h PRO 183 CO 0.18 0.78 0.36 0.54 -0.23 0.00 0.00 178.00 179.63 1bxc s ASN 184 N -6.83 -0.00 0.09 1.44 4.22 -1.26 -1.77 114.94 110.82 1bxc s ASN 184 Ca -0.01 -1.00 0.00 0.00 -2.14 0.00 0.00 52.86 49.71 1bxc s ASN 184 Cb 0.12 0.75 0.00 0.00 1.28 0.00 0.00 41.25 43.40 1bxc s ASN 184 CO 0.79 -1.49 0.00 1.21 -2.04 0.00 0.00 177.10 175.57 1bxc n GLU 185 N -0.57 -3.47 0.00 3.55 2.13 -1.26 -4.75 120.64 116.26 1bxc n GLU 185 Ca -0.07 2.66 0.15 0.00 0.66 0.00 0.00 57.16 60.56 1bxc n GLU 185 Cb 0.60 -2.88 0.84 0.00 0.27 0.00 0.00 31.44 30.28 1bxc n GLU 185 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1bxc n PRO 186 N 1.19 0.71 -3.76 5.31 -0.04 -1.25 -4.98 135.00 132.18 1bxc n PRO 186 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1bxc n PRO 186 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 1bxc n PRO 186 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1bxc s ARG 187 N -2.28 3.54 0.32 0.54 1.81 -1.26 -4.99 118.95 116.63 1bxc s ARG 187 Ca 0.38 -0.26 0.05 0.00 -1.72 0.00 0.00 55.73 54.18 1bxc s ARG 187 Cb 0.21 -2.91 0.69 0.00 -0.45 0.00 0.00 34.95 32.49 1bxc s ARG 187 CO 0.41 0.50 1.84 0.78 -0.68 0.00 0.00 175.30 178.16 1bxc h GLY 188 N 2.74 1.47 -5.38 -3.53 0.00 -1.96 -3.39 103.07 93.02 1bxc h GLY 188 Ca -0.46 -0.36 -0.18 0.00 0.00 0.00 0.00 47.33 46.32 1bxc h GLY 188 CO 0.73 0.10 -0.53 0.99 0.00 0.00 0.00 176.54 177.84 1bxc s ASP 189 N -5.70 -0.15 -0.13 0.19 1.01 -1.15 -4.68 116.67 106.06 1bxc s ASP 189 Ca -0.11 0.29 -0.06 0.00 0.71 0.00 0.00 52.55 53.38 1bxc s ASP 189 Cb 0.22 0.32 -0.04 0.00 1.01 0.00 0.00 42.92 44.44 1bxc s ASP 189 CO 0.80 -0.08 0.08 -0.63 0.21 0.00 0.00 175.17 175.55 1bxc s ILE 190 N -0.02 4.97 0.14 0.77 1.01 -0.73 -1.66 121.20 125.67 1bxc s ILE 190 Ca -0.01 0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.48 1bxc s ILE 190 Cb -0.02 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 1bxc s ILE 190 CO 0.00 0.57 1.77 1.88 0.00 0.00 0.00 174.94 179.16 1bxc h TYR 191 N 5.54 0.44 -2.49 3.97 0.05 -1.53 -3.30 116.97 119.65 1bxc h TYR 191 Ca -0.49 -0.00 -0.75 0.00 0.05 0.00 0.00 58.73 57.55 1bxc h TYR 191 Cb 1.20 -0.15 -0.20 0.00 1.01 0.00 0.00 36.73 38.60 1bxc h TYR 191 CO 0.66 0.32 1.10 -0.06 -1.05 0.00 0.00 178.16 179.13 1bxc s PHE 192 N -6.01 3.61 -0.13 4.88 0.08 -1.26 -4.80 117.98 114.35 1bxc s PHE 192 Ca -0.13 -2.16 0.18 0.00 0.12 0.00 0.00 56.93 54.94 1bxc s PHE 192 Cb 0.10 -4.21 -0.19 0.00 -0.57 0.00 0.00 43.02 38.15 1bxc s PHE 192 CO 0.72 -1.31 0.62 0.00 -0.10 0.00 0.00 175.22 175.14 1bxc n ALA 193 N 5.15 2.00 -2.37 5.36 0.00 -1.25 -2.55 120.51 126.86 1bxc n ALA 193 Ca 0.32 -0.69 -0.19 0.00 0.00 0.00 0.00 53.44 52.88 1bxc n ALA 193 Cb 0.43 -0.77 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 1bxc n ALA 193 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bxc s THR 194 N -2.94 1.25 0.13 0.00 -4.23 -1.26 -2.84 115.64 105.74 1bxc s THR 194 Ca -0.05 -2.06 -0.19 0.00 -1.18 0.00 0.00 61.69 58.21 1bxc s THR 194 Cb 0.09 -2.40 -0.05 0.00 1.34 0.00 0.00 72.50 71.47 1bxc s THR 194 CO 0.83 -0.30 1.76 0.58 -0.54 0.00 0.00 174.62 176.96 1bxc h VAL 195 N 2.39 1.00 -0.59 2.29 2.07 -1.93 -2.68 116.25 118.79 1bxc h VAL 195 Ca -0.39 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1bxc h VAL 195 Cb 1.23 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1bxc h VAL 195 CO 0.66 0.04 0.39 1.23 0.02 0.00 0.00 177.57 179.91 1bxc h GLY 196 N 0.23 0.77 0.95 2.17 0.00 -1.96 -0.99 103.07 104.25 1bxc h GLY 196 Ca 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1bxc h GLY 196 CO -0.06 0.22 0.19 0.23 0.00 0.00 0.00 176.54 177.12 1bxc h SER 197 N 0.67 0.57 0.66 0.19 0.87 -1.89 -1.57 113.55 113.04 1bxc h SER 197 Ca 0.24 -0.15 -0.14 0.00 -1.23 0.00 0.00 61.79 60.51 1bxc h SER 197 Cb 0.13 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1bxc h SER 197 CO -0.07 0.56 -0.68 0.24 -0.53 0.00 0.00 176.83 176.35 1bxc h MET 198 N 0.54 0.02 -0.59 2.24 0.00 -1.11 -2.66 114.93 113.37 1bxc h MET 198 Ca 0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 59.70 59.75 1bxc h MET 198 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 31.73 1bxc h MET 198 CO -0.02 0.69 0.05 -0.07 0.00 0.00 0.00 176.91 177.57 1bxc h LEU 199 N 0.01 0.96 -0.59 1.22 3.38 -1.03 -2.75 115.31 116.52 1bxc h LEU 199 Ca -0.01 -0.28 -0.15 0.00 0.09 0.00 0.00 57.88 57.53 1bxc h LEU 199 Cb 1.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1bxc h LEU 199 CO 0.09 1.01 -0.53 0.00 0.09 0.00 0.00 178.44 179.10 1bxc h ALA 200 N 0.99 0.77 -0.68 1.53 0.00 -1.22 -3.17 119.26 117.49 1bxc h ALA 200 Ca 0.17 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1bxc h ALA 200 Cb 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1bxc h ALA 200 CO 0.02 0.68 0.13 1.25 0.00 0.00 0.00 179.25 181.33 1bxc h LEU 201 N 0.37 1.06 -1.34 0.00 5.85 -1.39 -2.85 115.31 117.02 1bxc h LEU 201 Ca 0.01 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.58 1bxc h LEU 201 Cb 1.05 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 1bxc h LEU 201 CO 0.10 1.04 0.53 0.40 -0.34 0.00 0.00 178.44 180.16 1bxc h ILE 202 N 1.04 0.94 0.00 4.05 2.04 -1.46 -0.89 117.51 123.23 1bxc h ILE 202 Ca 0.21 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1bxc h ILE 202 Cb 0.42 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1bxc h ILE 202 CO 0.01 0.13 0.00 1.41 0.00 0.00 0.00 178.15 179.70 1bxc n HIS 203 N -4.51 0.00 0.21 1.37 8.25 -1.07 -1.62 115.22 117.84 1bxc n HIS 203 Ca 0.14 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.62 1bxc n HIS 203 Cb 0.34 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.46 1bxc n HIS 203 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1bxc n THR 204 N -0.93 0.00 -1.81 1.59 -2.24 -0.34 -5.01 114.28 105.55 1bxc n THR 204 Ca 0.13 -0.47 -0.29 0.00 -2.27 0.00 0.00 64.05 61.14 1bxc n THR 204 Cb 0.06 1.08 0.08 0.00 -2.10 0.00 0.00 70.33 69.44 1bxc n THR 204 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1bxc s LEU 205 N -0.87 2.60 0.07 3.22 1.43 -0.64 -5.01 118.68 119.47 1bxc s LEU 205 Ca 0.05 0.99 -0.14 0.00 -1.03 0.00 0.00 54.13 54.00 1bxc s LEU 205 Cb 0.04 -3.59 -0.25 0.00 0.03 0.00 0.00 46.19 42.43 1bxc s LEU 205 CO 0.09 -1.79 1.17 -0.33 0.23 0.00 0.00 176.35 175.72 1bxc h GLU 206 N -0.97 0.69 -2.31 1.70 5.08 -1.92 -3.38 114.58 113.46 1bxc h GLU 206 Ca -0.46 -0.78 -0.64 0.00 -1.00 0.00 0.00 59.36 56.48 1bxc h GLU 206 Cb 1.30 0.23 -0.40 0.00 0.50 0.00 0.00 28.75 30.38 1bxc h GLU 206 CO 0.64 1.34 -0.35 0.54 -1.00 0.00 0.00 179.01 180.18 1bxc n ARG 207 N -3.85 2.95 0.23 2.33 5.12 -1.26 -4.91 116.66 117.27 1bxc n ARG 207 Ca -0.12 -4.67 0.11 0.00 -1.93 0.00 0.00 57.85 51.24 1bxc n ARG 207 Cb 0.90 -2.30 0.69 0.00 -1.16 0.00 0.00 32.46 30.59 1bxc n ARG 207 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1bxc h PRO 208 N 4.29 0.00 0.00 5.56 0.11 -1.81 -0.52 132.00 139.63 1bxc h PRO 208 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1bxc h PRO 208 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1bxc h PRO 208 CO 0.92 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.76 1bxc h GLU 209 N 0.00 0.00 -0.01 1.05 9.09 -1.93 -1.14 114.58 121.65 1bxc h GLU 209 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.44 1bxc h GLU 209 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.24 1bxc h GLU 209 CO -0.00 0.00 -0.23 0.54 0.05 0.00 0.00 179.01 179.37 1bxc n ARG 210 N -2.99 0.66 -5.03 1.06 5.12 -0.20 -4.90 116.66 110.38 1bxc n ARG 210 Ca -0.01 -0.34 -0.32 0.00 -1.93 0.00 0.00 57.85 55.25 1bxc n ARG 210 Cb 0.15 -1.49 -0.16 0.00 -1.16 0.00 0.00 32.46 29.80 1bxc n ARG 210 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1bxc s PHE 211 N -2.57 2.65 0.00 -1.55 0.40 -0.43 -0.14 117.98 116.33 1bxc s PHE 211 Ca 0.24 -0.77 0.00 0.00 -0.60 0.00 0.00 56.93 55.79 1bxc s PHE 211 Cb 0.19 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.98 1bxc s PHE 211 CO 0.53 -0.26 0.00 0.41 0.70 0.00 0.00 175.22 176.60 1bxc n GLY 212 N 3.35 5.00 3.49 4.36 0.00 0.18 -4.96 105.19 116.60 1bxc n GLY 212 Ca -0.18 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 1bxc n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxc s LEU 213 N 0.00 2.76 -0.74 0.99 1.43 0.16 -0.11 118.68 123.17 1bxc s LEU 213 Ca 0.00 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1bxc s LEU 213 Cb 0.00 -1.59 0.19 0.00 0.03 0.00 0.00 46.19 44.82 1bxc s LEU 213 CO 0.00 0.30 0.57 -3.20 0.23 0.00 0.00 176.35 174.25 1bxc n ASN 214 N 1.88 3.31 -4.77 2.29 5.15 -0.45 -2.31 115.26 120.36 1bxc n ASN 214 Ca -0.16 -3.23 -0.39 0.00 -0.60 0.00 0.00 54.58 50.19 1bxc n ASN 214 Cb 0.52 -0.80 -0.01 0.00 -0.53 0.00 0.00 39.78 38.96 1bxc n ASN 214 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1bxc s PRO 215 N -1.57 4.08 -0.09 1.20 0.02 -1.26 -4.25 135.00 133.14 1bxc s PRO 215 Ca 0.27 2.09 0.04 0.00 0.02 0.00 0.00 61.00 63.41 1bxc s PRO 215 Cb -0.03 -2.82 -0.01 0.00 0.02 0.00 0.00 34.50 31.67 1bxc s PRO 215 CO -0.15 -0.37 -0.21 -2.00 -0.33 0.00 0.00 177.00 173.94 1bxc s GLU 216 N -2.14 2.94 0.19 5.54 2.12 -1.26 -1.44 118.70 124.66 1bxc s GLU 216 Ca 0.55 -0.83 -0.13 0.00 0.36 0.00 0.00 54.97 54.92 1bxc s GLU 216 Cb -0.37 -2.34 0.18 0.00 0.26 0.00 0.00 34.13 31.87 1bxc s GLU 216 CO 0.47 0.28 1.74 0.35 -0.54 0.00 0.00 175.26 177.56 1bxc h PHE 217 N 6.42 0.26 -0.32 5.30 3.04 -1.72 -2.29 116.94 127.62 1bxc h PHE 217 Ca -0.26 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.64 1bxc h PHE 217 Cb 1.21 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.66 1bxc h PHE 217 CO 0.47 0.06 -0.13 0.00 -2.02 0.00 0.00 178.31 176.69 1bxc h ALA 218 N 1.35 1.18 0.24 2.41 0.00 -1.85 -2.50 119.26 120.09 1bxc h ALA 218 Ca 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1bxc h ALA 218 Cb 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bxc h ALA 218 CO -0.27 0.52 -0.12 0.45 0.00 0.00 0.00 179.25 179.83 1bxc h HIS 219 N 0.51 -0.30 -0.44 0.00 3.86 -1.76 0.12 115.15 117.14 1bxc h HIS 219 Ca 0.09 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.19 1bxc h HIS 219 Cb 0.53 0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.08 1bxc h HIS 219 CO 0.02 -0.11 -0.13 1.49 0.86 0.00 0.00 177.93 180.06 1bxc h GLU 220 N -0.43 0.81 -0.02 2.45 4.57 -1.54 -3.12 114.58 117.30 1bxc h GLU 220 Ca -0.03 -0.29 -0.13 0.00 -1.18 0.00 0.00 59.36 57.73 1bxc h GLU 220 Cb 0.33 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1bxc h GLU 220 CO 0.05 0.90 -0.59 1.15 -1.18 0.00 0.00 179.01 179.35 1bxc h THR 221 N 0.73 1.41 -1.09 0.32 2.02 -1.22 -2.32 112.91 112.76 1bxc h THR 221 Ca 0.12 -1.99 0.32 0.00 0.77 0.00 0.00 66.41 65.62 1bxc h THR 221 Cb 0.63 2.05 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 1bxc h THR 221 CO 0.04 0.58 0.80 0.24 0.37 0.00 0.00 175.52 177.55 1bxc h MET 222 N 0.06 0.00 -0.38 6.66 2.86 -0.69 0.18 114.93 123.62 1bxc h MET 222 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1bxc h MET 222 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1bxc h MET 222 CO 0.08 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.05 1bxc n ALA 223 N -2.73 2.52 -1.22 6.32 0.00 -0.92 -2.33 120.51 122.15 1bxc n ALA 223 Ca 0.23 -1.52 -0.08 0.00 0.00 0.00 0.00 53.44 52.08 1bxc n ALA 223 Cb 1.17 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 1bxc n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxc n GLY 224 N 0.37 0.94 3.89 0.00 0.00 0.65 -4.96 105.19 106.08 1bxc n GLY 224 Ca 0.17 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1bxc n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxc s LEU 225 N -1.71 4.02 -0.39 0.99 1.43 -0.94 -5.01 118.68 117.06 1bxc s LEU 225 Ca 0.00 0.83 -0.27 0.00 -1.03 0.00 0.00 54.13 53.67 1bxc s LEU 225 Cb 0.00 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.58 1bxc s LEU 225 CO 0.00 -0.23 0.97 0.21 0.23 0.00 0.00 176.35 177.53 1bxc s ASN 226 N -3.07 6.68 0.28 2.29 3.84 -1.26 -4.19 114.94 119.50 1bxc s ASN 226 Ca 0.46 0.56 0.09 0.00 0.21 0.00 0.00 52.86 54.19 1bxc s ASN 226 Cb -0.11 -2.48 0.40 0.00 -0.55 0.00 0.00 41.25 38.52 1bxc s ASN 226 CO 0.29 -0.94 1.65 0.15 -2.79 0.00 0.00 177.10 175.46 1bxc h PHE 227 N 8.60 0.09 -0.53 0.43 3.57 -1.91 -2.82 116.94 124.37 1bxc h PHE 227 Ca -0.23 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.12 1bxc h PHE 227 Cb 1.07 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 1bxc h PHE 227 CO 0.86 0.61 -0.13 0.28 -2.23 0.00 0.00 178.31 177.70 1bxc h VAL 228 N 0.05 1.27 -0.68 1.41 2.07 -1.92 -1.43 116.25 117.02 1bxc h VAL 228 Ca -0.00 -1.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.18 1bxc h VAL 228 Cb 1.00 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1bxc h VAL 228 CO 0.08 0.45 0.24 0.45 0.02 0.00 0.00 177.57 178.81 1bxc h HIS 229 N 0.88 1.07 -0.64 1.57 3.86 -1.96 -2.14 115.15 117.79 1bxc h HIS 229 Ca 0.13 -0.10 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 1bxc h HIS 229 Cb 0.70 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 1bxc h HIS 229 CO 0.05 0.84 0.10 0.00 0.86 0.00 0.00 177.93 179.78 1bxc h ALA 230 N 1.11 0.85 -0.00 2.45 0.00 -1.29 -2.49 119.26 119.88 1bxc h ALA 230 Ca 0.22 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1bxc h ALA 230 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1bxc h ALA 230 CO -0.01 0.62 -0.68 0.28 0.00 0.00 0.00 179.25 179.45 1bxc h VAL 231 N 0.98 1.49 -0.61 0.00 2.07 -1.21 -2.76 116.25 116.21 1bxc h VAL 231 Ca 0.19 -2.33 -0.06 0.00 0.82 0.00 0.00 66.70 65.32 1bxc h VAL 231 Cb 0.44 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1bxc h VAL 231 CO 0.01 0.67 0.15 0.00 0.02 0.00 0.00 177.57 178.42 1bxc h ALA 232 N 1.30 0.80 -0.62 1.67 0.00 -1.23 -0.32 119.26 120.86 1bxc h ALA 232 Ca -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1bxc h ALA 232 Cb 1.21 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1bxc h ALA 232 CO 0.09 0.51 0.17 0.37 0.00 0.00 0.00 179.25 180.39 1bxc h GLN 233 N 0.89 0.98 -0.47 0.00 4.15 -1.39 0.10 115.11 119.38 1bxc h GLN 233 Ca 0.19 -0.23 -0.08 0.00 0.77 0.00 0.00 58.65 59.30 1bxc h GLN 233 Cb 0.35 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1bxc h GLN 233 CO 0.00 0.88 -0.04 0.00 -1.93 0.00 0.00 178.83 177.75 1bxc h ALA 234 N 1.05 1.05 -0.40 3.38 0.00 -1.17 -1.66 119.26 121.51 1bxc h ALA 234 Ca 0.20 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1bxc h ALA 234 Cb 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1bxc h ALA 234 CO -0.00 0.59 -0.19 -0.07 0.00 0.00 0.00 179.25 179.57 1bxc h LEU 235 N 0.73 0.86 -1.32 0.00 3.38 -0.48 0.12 115.31 118.61 1bxc h LEU 235 Ca 0.14 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1bxc h LEU 235 Cb 0.51 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1bxc h LEU 235 CO 0.03 1.07 0.00 -0.78 0.09 0.00 0.00 178.44 178.85 1bxc h ASP 236 N 0.65 0.00 0.26 -0.43 1.82 -0.51 -0.17 116.42 118.04 1bxc h ASP 236 Ca 0.09 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1bxc h ASP 236 Cb 0.75 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.76 1bxc h ASP 236 CO 0.06 0.00 -0.68 0.00 -1.61 0.00 0.00 179.24 177.00 1bxc n ALA 237 N -1.96 4.01 -2.00 -0.78 0.00 -0.65 -4.95 120.51 114.17 1bxc n ALA 237 Ca 0.01 -0.47 -0.08 0.00 0.00 0.00 0.00 53.44 52.90 1bxc n ALA 237 Cb 0.25 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 1bxc n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxc n GLY 238 N 1.49 0.20 0.24 0.00 0.00 -0.07 -4.95 105.19 102.10 1bxc n GLY 238 Ca 0.05 -0.58 0.07 0.00 0.00 0.00 0.00 46.02 45.56 1bxc n GLY 238 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bxc n LYS 239 N -1.93 2.19 -2.69 1.61 4.76 0.36 -4.91 118.16 117.55 1bxc n LYS 239 Ca -0.09 -2.27 -0.42 0.00 -2.87 0.00 0.00 58.31 52.66 1bxc n LYS 239 Cb 0.52 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 32.28 1bxc n LYS 239 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1bxc s LEU 240 N -2.16 3.85 -0.00 -0.35 2.96 -1.23 0.37 118.68 122.12 1bxc s LEU 240 Ca 0.24 -1.09 0.22 0.00 -0.22 0.00 0.00 54.13 53.28 1bxc s LEU 240 Cb 0.20 -2.50 -0.23 0.00 0.50 0.00 0.00 46.19 44.16 1bxc s LEU 240 CO 0.04 -1.54 0.77 0.18 -1.32 0.00 0.00 176.35 174.49 1bxc n LEU 241 N 8.39 0.58 -3.60 -0.68 4.32 -0.98 -4.89 117.00 120.15 1bxc n LEU 241 Ca 0.12 -0.25 -0.09 0.00 -0.02 0.00 0.00 56.01 55.77 1bxc n LEU 241 Cb 0.49 -0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 42.22 1bxc n LEU 241 CO 0.65 0.13 0.85 -2.28 -1.22 0.00 0.00 177.39 175.52 1bxc s HIS 242 N -3.21 -0.31 -0.01 -1.77 2.46 -1.17 -4.68 115.29 106.58 1bxc s HIS 242 Ca 0.02 0.57 0.00 0.00 0.47 0.00 0.00 55.06 56.12 1bxc s HIS 242 Cb 0.15 0.45 0.01 0.00 -0.13 0.00 0.00 32.58 33.06 1bxc s HIS 242 CO 0.87 -0.27 -0.00 -1.50 -2.47 0.00 0.00 174.74 171.37 1bxc s ILE 243 N -0.93 0.09 -0.25 0.89 2.07 -1.25 -4.02 121.20 117.80 1bxc s ILE 243 Ca 0.01 0.03 -0.08 0.00 -1.41 0.00 0.00 60.65 59.20 1bxc s ILE 243 Cb -0.01 -0.14 -0.03 0.00 0.13 0.00 0.00 42.46 42.41 1bxc s ILE 243 CO -0.01 0.07 0.09 -1.81 -1.91 0.00 0.00 174.94 171.37 1bxc s ASP 244 N 0.43 5.29 -0.12 4.50 1.01 -0.52 -2.27 116.67 124.99 1bxc s ASP 244 Ca -0.04 -0.16 -0.01 0.00 0.71 0.00 0.00 52.55 53.05 1bxc s ASP 244 Cb -0.06 -1.96 -0.02 0.00 1.01 0.00 0.00 42.92 41.89 1bxc s ASP 244 CO -0.01 -0.03 -0.09 -0.76 0.21 0.00 0.00 175.17 174.49 1bxc s LEU 245 N 1.59 3.00 0.00 1.23 1.02 0.14 -2.00 118.68 123.66 1bxc s LEU 245 Ca 0.06 -0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.03 1bxc s LEU 245 Cb -0.15 -1.68 0.00 0.00 0.02 0.00 0.00 46.19 44.38 1bxc s LEU 245 CO 0.05 0.23 0.00 -0.46 0.02 0.00 0.00 176.35 176.19 1bxc n ASN 246 N 3.12 0.00 -4.39 2.29 2.04 -1.26 -2.19 115.26 114.86 1bxc n ASN 246 Ca -0.18 -0.64 -0.20 0.00 -0.44 0.00 0.00 54.58 53.13 1bxc n ASN 246 Cb 0.53 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.67 1bxc n ASN 246 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1bxc s GLY 247 N -1.68 1.74 -0.29 4.83 0.00 -0.55 -4.48 107.32 106.90 1bxc s GLY 247 Ca 0.00 -1.86 -0.21 0.00 0.00 0.00 0.00 44.72 42.65 1bxc s GLY 247 CO 0.00 -1.78 1.09 1.62 0.00 0.00 0.00 173.10 174.03 1bxc s GLN 248 N -3.79 0.37 0.06 2.90 2.00 -1.26 -1.32 119.66 118.63 1bxc s GLN 248 Ca 0.29 0.51 -0.21 0.00 -2.00 0.00 0.00 55.36 53.96 1bxc s GLN 248 Cb 0.05 0.14 -0.06 0.00 0.80 0.00 0.00 33.01 33.93 1bxc s GLN 248 CO 0.11 -0.06 0.62 1.03 -0.50 0.00 0.00 175.29 176.49 1bxc s ARG 249 N 0.64 4.30 0.60 1.67 0.52 -1.26 -4.83 118.95 120.59 1bxc s ARG 249 Ca -0.01 0.81 -0.20 0.00 -0.52 0.00 0.00 55.73 55.82 1bxc s ARG 249 Cb -0.04 -3.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 1bxc s ARG 249 CO -0.11 0.54 1.31 -1.64 0.02 0.00 0.00 175.30 175.42 1bxc s MET 250 N -0.81 2.84 -0.79 3.54 -1.94 -1.26 -4.33 119.30 116.55 1bxc s MET 250 Ca 0.31 2.10 -0.01 0.00 -1.71 0.00 0.00 55.69 56.37 1bxc s MET 250 Cb -0.20 -2.02 0.00 0.00 2.01 0.00 0.00 34.83 34.63 1bxc s MET 250 CO 0.20 -1.38 0.67 0.09 -0.01 0.00 0.00 175.02 174.58 1bxc n ASN 251 N -1.51 -2.65 -1.98 3.03 3.02 -0.98 -4.99 115.26 109.19 1bxc n ASN 251 Ca 0.13 -0.39 -0.04 0.00 -0.03 0.00 0.00 54.58 54.26 1bxc n ASN 251 Cb 0.47 -3.45 0.01 0.00 -0.61 0.00 0.00 39.78 36.20 1bxc n ASN 251 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1bxc n ARG 252 N -3.09 0.52 -0.93 3.52 0.00 -1.26 -5.09 116.66 110.33 1bxc n ARG 252 Ca -0.14 -1.04 -0.35 0.00 -0.00 0.00 0.00 57.85 56.32 1bxc n ARG 252 Cb 0.59 1.32 0.08 0.00 -0.00 0.00 0.00 32.46 34.45 1bxc n ARG 252 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 1bxc n PHE 253 N -0.30 -3.20 -2.42 2.89 -1.74 -1.26 -4.85 117.46 106.58 1bxc n PHE 253 Ca -0.04 0.12 -0.43 0.00 -0.56 0.00 0.00 57.45 56.54 1bxc n PHE 253 Cb 0.30 -1.63 -0.02 0.00 1.52 0.00 0.00 39.48 39.65 1bxc n PHE 253 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1bxc s ASP 254 N -1.49 6.47 0.01 5.98 2.15 -1.26 -4.90 116.67 123.63 1bxc s ASP 254 Ca 0.50 0.84 -0.00 0.00 0.43 0.00 0.00 52.55 54.31 1bxc s ASP 254 Cb -0.21 -2.54 -0.26 0.00 -0.30 0.00 0.00 42.92 39.60 1bxc s ASP 254 CO 0.74 -1.32 0.88 1.56 -0.17 0.00 0.00 175.17 176.86 1bxc h GLN 255 N 10.11 0.19 -6.26 4.34 4.20 -1.89 -3.49 115.11 122.32 1bxc h GLN 255 Ca -0.26 -0.33 -0.45 0.00 0.06 0.00 0.00 58.65 57.67 1bxc h GLN 255 Cb 1.09 0.12 0.03 0.00 0.30 0.00 0.00 27.48 29.03 1bxc h GLN 255 CO 1.08 1.03 -0.89 -0.25 -0.67 0.00 0.00 178.83 179.14 1bxc n ASP 256 N -3.39 -2.30 -4.79 1.46 8.00 -1.25 -4.79 116.55 109.49 1bxc n ASP 256 Ca -0.15 -0.95 -0.31 0.00 0.71 0.00 0.00 54.79 54.10 1bxc n ASP 256 Cb 1.03 -3.52 0.08 0.00 -0.02 0.00 0.00 41.12 38.69 1bxc n ASP 256 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bxc s LEU 257 N -6.68 2.95 0.42 0.64 1.43 -0.43 -1.94 118.68 115.07 1bxc s LEU 257 Ca 0.16 1.63 -0.24 0.00 -1.03 0.00 0.00 54.13 54.65 1bxc s LEU 257 Cb -0.05 -4.37 -0.11 0.00 0.03 0.00 0.00 46.19 41.68 1bxc s LEU 257 CO 0.85 -1.81 0.89 -1.14 0.23 0.00 0.00 176.35 175.38 1bxc n ARG 258 N -3.36 1.12 -1.90 1.70 0.63 -1.26 -1.48 116.66 112.10 1bxc n ARG 258 Ca 0.08 0.40 -0.42 0.00 -0.92 0.00 0.00 57.85 57.00 1bxc n ARG 258 Cb 0.54 -1.90 -0.02 0.00 0.45 0.00 0.00 32.46 31.52 1bxc n ARG 258 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1bxc s PHE 259 N -1.32 2.95 0.00 -0.14 5.36 -1.26 -2.67 117.98 120.89 1bxc s PHE 259 Ca 0.64 0.80 0.00 0.00 -0.96 0.00 0.00 56.93 57.41 1bxc s PHE 259 Cb -0.57 -3.94 0.00 0.00 -0.34 0.00 0.00 43.02 38.17 1bxc s PHE 259 CO 0.57 -3.26 0.00 0.41 -1.46 0.00 0.00 175.22 171.48 1bxc n GLY 260 N 2.74 1.52 0.24 13.12 0.00 -1.26 -4.74 105.19 116.80 1bxc n GLY 260 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1bxc n GLY 260 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bxc h SER 261 N 0.00 0.00 0.00 1.61 4.64 -1.88 -3.37 113.55 114.55 1bxc h SER 261 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1bxc h SER 261 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1bxc h SER 261 CO 0.00 0.12 -0.99 1.21 -0.87 0.00 0.00 176.83 176.30 1bxc n GLU 262 N -3.22 0.03 -3.62 4.77 4.07 -1.26 -4.88 120.64 116.52 1bxc n GLU 262 Ca 0.01 0.01 -0.36 0.00 -0.06 0.00 0.00 57.16 56.76 1bxc n GLU 262 Cb 0.41 -0.55 -0.06 0.00 -0.06 0.00 0.00 31.44 31.18 1bxc n GLU 262 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1bxc n ASN 263 N -3.11 4.29 -0.16 4.31 3.02 -1.26 -4.92 115.26 117.42 1bxc n ASN 263 Ca -0.03 -3.13 -0.07 0.00 -0.03 0.00 0.00 54.58 51.32 1bxc n ASN 263 Cb 0.48 -1.07 0.02 0.00 -0.61 0.00 0.00 39.78 38.60 1bxc n ASN 263 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1bxc h LEU 264 N 6.00 0.53 -0.79 3.41 3.38 -1.90 -1.36 115.31 124.58 1bxc h LEU 264 Ca 0.17 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1bxc h LEU 264 Cb 0.81 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1bxc h LEU 264 CO 0.87 0.38 -0.14 0.50 0.09 0.00 0.00 178.44 180.15 1bxc h LYS 265 N 0.64 0.76 -0.23 1.13 3.64 -1.94 -0.42 116.57 120.15 1bxc h LYS 265 Ca 0.18 -0.27 -0.10 0.00 -1.27 0.00 0.00 60.65 59.19 1bxc h LYS 265 Cb -0.05 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1bxc h LYS 265 CO -0.05 0.86 -0.26 0.00 -2.27 0.00 0.00 179.45 177.73 1bxc h ALA 266 N 1.16 0.35 -0.50 5.00 0.00 -1.93 -2.57 119.26 120.76 1bxc h ALA 266 Ca 0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1bxc h ALA 266 Cb 0.62 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1bxc h ALA 266 CO 0.04 0.34 0.25 0.00 0.00 0.00 0.00 179.25 179.87 1bxc h ALA 267 N 0.66 1.50 0.73 0.00 0.00 -1.13 -1.88 119.26 119.13 1bxc h ALA 267 Ca 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1bxc h ALA 267 Cb 0.83 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1bxc h ALA 267 CO 0.06 0.41 -0.35 0.35 0.00 0.00 0.00 179.25 179.72 1bxc h PHE 268 N 0.70 -0.91 0.00 0.00 3.57 -0.96 -0.72 116.94 118.62 1bxc h PHE 268 Ca 0.18 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1bxc h PHE 268 Cb 0.06 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1bxc h PHE 268 CO 0.01 -0.55 0.00 1.28 -2.23 0.00 0.00 178.31 176.81 1bxc n LEU 269 N -5.50 0.68 -0.04 0.59 7.99 -0.98 -1.36 117.00 118.39 1bxc n LEU 269 Ca -0.14 0.64 -0.16 0.00 -0.01 0.00 0.00 56.01 56.34 1bxc n LEU 269 Cb 0.40 -0.52 -0.13 0.00 -0.11 0.00 0.00 43.42 43.06 1bxc n LEU 269 CO 0.38 -0.46 0.30 0.25 -1.51 0.00 0.00 177.39 176.34 1bxc h LEU 270 N 0.00 0.13 -1.17 2.23 5.85 -1.01 -1.87 115.31 119.47 1bxc h LEU 270 Ca 0.00 -0.98 0.05 0.00 0.84 0.00 0.00 57.88 57.78 1bxc h LEU 270 Cb 0.45 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1bxc h LEU 270 CO 0.00 1.11 0.57 0.58 -0.34 0.00 0.00 178.44 180.36 1bxc h VAL 271 N -0.82 1.11 -0.48 1.05 2.07 -0.97 -0.50 116.25 117.71 1bxc h VAL 271 Ca -0.04 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1bxc h VAL 271 Cb 1.18 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1bxc h VAL 271 CO 0.04 0.19 0.23 -0.78 0.02 0.00 0.00 177.57 177.28 1bxc h ASP 272 N 1.05 0.62 -0.02 0.57 3.58 -1.26 -1.34 116.42 119.63 1bxc h ASP 272 Ca 0.36 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 1bxc h ASP 272 Cb 0.09 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 1bxc h ASP 272 CO -0.12 0.57 0.01 0.25 -2.88 0.00 0.00 179.24 177.07 1bxc h LEU 273 N 0.63 0.02 0.15 2.28 5.85 -0.53 -1.94 115.31 121.77 1bxc h LEU 273 Ca 0.16 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1bxc h LEU 273 Cb 0.11 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1bxc h LEU 273 CO -0.02 0.09 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.03 1bxc h LEU 274 N -0.05 -0.17 -0.22 2.25 3.38 -0.96 -2.27 115.31 117.27 1bxc h LEU 274 Ca 0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1bxc h LEU 274 Cb 0.08 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1bxc h LEU 274 CO -0.00 -0.06 0.05 -0.33 0.09 0.00 0.00 178.44 178.18 1bxc h GLU 275 N -0.27 0.35 0.00 1.13 4.39 -1.24 -2.67 114.58 116.28 1bxc h GLU 275 Ca -0.02 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1bxc h GLU 275 Cb 0.21 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1bxc h GLU 275 CO 0.03 0.48 0.00 -1.13 -1.16 0.00 0.00 179.01 177.24 1bxc n SER 276 N -4.74 0.00 0.02 1.42 3.41 -0.73 -2.25 113.62 110.75 1bxc n SER 276 Ca -0.04 -0.16 0.11 0.00 -0.26 0.00 0.00 58.87 58.52 1bxc n SER 276 Cb 0.18 -0.26 0.02 0.00 -0.26 0.00 0.00 64.21 63.89 1bxc n SER 276 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bxc n SER 277 N -1.26 0.61 -0.27 4.04 7.64 -0.86 -4.96 113.62 118.56 1bxc n SER 277 Ca 0.14 -0.23 -0.03 0.00 1.01 0.00 0.00 58.87 59.76 1bxc n SER 277 Cb 0.21 0.81 -0.00 0.00 -1.01 0.00 0.00 64.21 64.21 1bxc n SER 277 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bxc n GLY 278 N 1.37 0.36 3.74 0.23 0.00 -0.95 -4.98 105.19 104.96 1bxc n GLY 278 Ca 0.02 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 1bxc n GLY 278 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bxc s TYR 279 N -2.12 2.84 0.00 1.61 5.04 -1.10 -4.91 117.35 118.71 1bxc s TYR 279 Ca 0.00 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 55.34 1bxc s TYR 279 Cb 0.00 -4.04 0.00 0.00 0.35 0.00 0.00 41.96 38.27 1bxc s TYR 279 CO 0.00 -3.62 0.57 1.04 -1.34 0.00 0.00 175.55 172.20 1bxc n GLN 280 N 2.73 0.03 -1.90 4.97 1.13 -1.26 -4.90 117.38 118.18 1bxc n GLN 280 Ca 0.10 -0.68 -0.29 0.00 -1.94 0.00 0.00 57.00 54.18 1bxc n GLN 280 Cb 0.37 -0.94 0.21 0.00 0.11 0.00 0.00 30.24 29.99 1bxc n GLN 280 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bxc n GLY 281 N -0.11 -1.52 3.76 1.08 0.00 -1.26 -5.02 105.19 102.12 1bxc n GLY 281 Ca 0.00 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 1bxc n GLY 281 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bxc s PRO 282 N -5.91 3.54 -0.67 1.61 0.02 -1.26 -4.94 135.00 127.39 1bxc s PRO 282 Ca 0.75 2.11 -0.13 0.00 0.02 0.00 0.00 61.00 63.76 1bxc s PRO 282 Cb -0.02 -2.45 0.17 0.00 0.02 0.00 0.00 34.50 32.22 1bxc s PRO 282 CO 0.53 -0.83 0.60 1.03 -0.33 0.00 0.00 177.00 178.00 1bxc s ARG 283 N -2.66 3.17 -0.05 5.54 3.00 0.10 -3.84 118.95 124.21 1bxc s ARG 283 Ca 0.65 -2.14 -0.20 0.00 0.00 0.00 0.00 55.73 54.04 1bxc s ARG 283 Cb -0.37 -4.26 -0.05 0.00 0.00 0.00 0.00 34.95 30.27 1bxc s ARG 283 CO 0.45 -1.28 0.57 -1.58 0.00 0.00 0.00 175.30 173.47 1bxc s HIS 284 N 0.76 3.61 -0.77 -0.53 2.46 -0.96 -1.08 115.29 118.77 1bxc s HIS 284 Ca 0.11 1.10 -0.16 0.00 0.47 0.00 0.00 55.06 56.59 1bxc s HIS 284 Cb -0.20 -2.62 0.17 0.00 -0.13 0.00 0.00 32.58 29.81 1bxc s HIS 284 CO -0.04 0.25 0.79 -0.06 -2.47 0.00 0.00 174.74 173.21 1bxc s PHE 285 N 0.26 3.47 -1.26 3.88 0.08 -0.66 0.29 117.98 124.04 1bxc s PHE 285 Ca 0.31 -1.64 -0.14 0.00 0.12 0.00 0.00 56.93 55.57 1bxc s PHE 285 Cb -0.17 -3.93 0.14 0.00 -0.57 0.00 0.00 43.02 38.49 1bxc s PHE 285 CO 0.15 -1.13 1.62 -3.47 -0.10 0.00 0.00 175.22 172.29 1bxc n ASP 286 N 4.95 5.06 -3.71 1.36 2.03 -0.93 -4.38 116.55 120.93 1bxc n ASP 286 Ca 0.09 -2.98 -0.11 0.00 0.52 0.00 0.00 54.79 52.31 1bxc n ASP 286 Cb 0.46 -1.60 -0.06 0.00 -0.72 0.00 0.00 41.12 39.19 1bxc n ASP 286 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bxc s ALA 287 N 2.08 -0.78 0.20 -1.67 0.00 -1.26 -4.68 121.76 115.66 1bxc s ALA 287 Ca 0.45 0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.51 1bxc s ALA 287 Cb 0.02 0.42 -0.05 0.00 0.00 0.00 0.00 23.12 23.51 1bxc s ALA 287 CO 0.02 -0.48 -0.14 -3.38 0.00 0.00 0.00 175.76 171.77 1bxc s HIS 288 N -2.91 1.70 0.73 0.00 -3.43 -0.82 -4.39 115.29 106.18 1bxc s HIS 288 Ca -0.02 -0.57 -0.15 0.00 -0.80 0.00 0.00 55.06 53.51 1bxc s HIS 288 Cb 0.00 -0.79 0.04 0.00 -1.43 0.00 0.00 32.58 30.40 1bxc s HIS 288 CO -0.06 0.35 1.19 0.00 -2.00 0.00 0.00 174.74 174.23 1bxc s ALA 289 N -2.97 2.13 0.71 -1.38 0.00 -1.26 -4.40 121.76 114.59 1bxc s ALA 289 Ca 0.22 0.81 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 1bxc s ALA 289 Cb -0.01 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1bxc s ALA 289 CO 0.07 -1.85 1.10 1.28 0.00 0.00 0.00 175.76 176.36 1bxc n LEU 290 N -2.78 4.40 0.00 0.00 4.77 -1.26 -4.88 117.00 117.24 1bxc n LEU 290 Ca 0.13 0.70 0.08 0.00 -0.03 0.00 0.00 56.01 56.89 1bxc n LEU 290 Cb 0.51 -1.47 0.36 0.00 -2.33 0.00 0.00 43.42 40.49 1bxc n LEU 290 CO 0.48 -1.68 0.73 -1.14 -1.33 0.00 0.00 177.39 174.45 1bxc n ARG 291 N -2.12 0.12 -0.04 3.23 0.63 -1.26 -2.28 116.66 114.94 1bxc n ARG 291 Ca 0.14 0.18 0.10 0.00 -0.92 0.00 0.00 57.85 57.36 1bxc n ARG 291 Cb 0.49 -1.50 0.46 0.00 0.45 0.00 0.00 32.46 32.37 1bxc n ARG 291 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1bxc n THR 292 N -1.38 0.12 -4.17 5.15 -2.24 -1.26 -4.91 114.28 105.58 1bxc n THR 292 Ca 0.06 -0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.30 1bxc n THR 292 Cb 0.15 0.11 -0.08 0.00 -2.10 0.00 0.00 70.33 68.42 1bxc n THR 292 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1bxc s GLU 293 N -1.88 3.01 0.29 -0.78 0.41 -0.96 -5.10 118.70 113.68 1bxc s GLU 293 Ca 0.31 -0.48 -0.00 0.00 -0.41 0.00 0.00 54.97 54.39 1bxc s GLU 293 Cb 0.16 -2.83 0.06 0.00 -1.78 0.00 0.00 34.13 29.74 1bxc s GLU 293 CO 0.25 0.66 0.40 -0.40 -0.49 0.00 0.00 175.26 175.68 1bxc n ASP 294 N 1.43 0.53 -0.21 -0.19 5.75 -1.26 -4.89 116.55 117.71 1bxc n ASP 294 Ca -0.15 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 1bxc n ASP 294 Cb 0.53 -0.26 0.24 0.00 -1.03 0.00 0.00 41.12 40.60 1bxc n ASP 294 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1bxc h GLU 295 N 0.00 0.98 -0.83 0.11 4.81 -2.00 0.94 114.58 118.59 1bxc h GLU 295 Ca -0.13 -0.07 0.12 0.00 -0.13 0.00 0.00 59.36 59.14 1bxc h GLU 295 Cb 0.49 -0.21 -0.08 0.00 0.63 0.00 0.00 28.75 29.57 1bxc h GLU 295 CO 0.14 0.67 0.45 0.93 -0.73 0.00 0.00 179.01 180.47 1bxc h GLU 296 N 1.00 0.69 0.00 1.92 5.08 -2.00 -1.24 114.58 120.03 1bxc h GLU 296 Ca 0.27 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1bxc h GLU 296 Cb -0.08 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1bxc h GLU 296 CO -0.05 0.46 -0.30 0.78 -1.00 0.00 0.00 179.01 178.89 1bxc h GLY 297 N 0.71 0.00 0.93 -3.84 0.00 -1.19 -2.33 103.07 97.35 1bxc h GLY 297 Ca 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 1bxc h GLY 297 CO -0.30 0.00 0.11 -2.08 0.00 0.00 0.00 176.54 174.27 1bxc h VAL 298 N 0.00 1.22 0.00 4.60 2.07 -0.60 -1.17 116.25 122.38 1bxc h VAL 298 Ca -0.00 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1bxc h VAL 298 Cb 0.66 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1bxc h VAL 298 CO 0.04 0.26 -0.08 -0.50 0.02 0.00 0.00 177.57 177.31 1bxc h TRP 299 N 0.49 0.00 0.00 1.57 -0.00 -1.26 -0.12 115.95 116.63 1bxc h TRP 299 Ca 0.13 0.00 -0.18 0.00 -0.00 0.00 0.00 58.89 58.83 1bxc h TRP 299 Cb 0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.42 1bxc h TRP 299 CO 0.01 0.08 -0.86 0.00 -0.00 0.00 0.00 178.44 177.67 1bxc h ALA 300 N 1.92 0.58 -0.10 1.49 0.00 -1.27 -0.97 119.26 120.91 1bxc h ALA 300 Ca -0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.11 1bxc h ALA 300 Cb 0.84 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1bxc h ALA 300 CO 0.01 1.07 -0.01 0.35 0.00 0.00 0.00 179.25 180.68 1bxc h PHE 301 N 0.00 0.21 0.13 0.00 3.57 -0.28 -1.64 116.94 118.93 1bxc h PHE 301 Ca -0.01 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1bxc h PHE 301 Cb 1.52 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 1bxc h PHE 301 CO 0.00 0.46 -0.10 0.00 -2.23 0.00 0.00 178.31 176.44 1bxc h ALA 302 N 0.72 -0.22 -0.65 2.41 0.00 -0.97 -1.84 119.26 118.70 1bxc h ALA 302 Ca 0.03 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1bxc h ALA 302 Cb 0.38 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1bxc h ALA 302 CO 0.01 -0.63 0.43 0.00 0.00 0.00 0.00 179.25 179.06 1bxc h ARG 303 N -0.24 0.69 -0.02 0.00 3.08 -1.23 -2.72 114.38 113.94 1bxc h ARG 303 Ca -0.01 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.82 1bxc h ARG 303 Cb 0.21 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1bxc h ARG 303 CO -0.00 0.46 -0.79 0.78 -1.07 0.00 0.00 179.97 179.35 1bxc h GLY 304 N 0.71 0.24 0.66 0.04 0.00 -0.72 -1.73 103.07 102.27 1bxc h GLY 304 Ca 0.27 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.24 1bxc h GLY 304 CO -0.08 0.33 -0.24 0.00 0.00 0.00 0.00 176.54 176.55 1bxc h MET 306 N -0.48 0.76 -0.64 0.00 2.86 -1.53 -2.38 114.93 113.52 1bxc h MET 306 Ca 0.01 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.30 1bxc h MET 306 Cb 0.47 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1bxc h MET 306 CO -0.09 0.92 0.21 -0.09 1.06 0.00 0.00 176.91 178.91 1bxc h ARG 307 N 0.56 0.98 -0.38 1.72 2.43 -1.38 -1.86 114.38 116.47 1bxc h ARG 307 Ca 0.09 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 1bxc h ARG 307 Cb 0.65 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1bxc h ARG 307 CO 0.04 0.86 -0.11 1.15 -1.51 0.00 0.00 179.97 180.41 1bxc h THR 308 N 0.91 1.25 -0.18 0.20 2.02 -1.30 -1.24 112.91 114.57 1bxc h THR 308 Ca 0.21 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 1bxc h THR 308 Cb 0.28 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1bxc h THR 308 CO -0.01 0.37 0.09 0.22 0.37 0.00 0.00 175.52 176.56 1bxc h TYR 309 N 0.60 0.26 -0.22 3.16 5.03 -1.09 -2.82 116.97 121.89 1bxc h TYR 309 Ca 0.11 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.33 1bxc h TYR 309 Cb 0.54 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.72 1bxc h TYR 309 CO 0.02 0.27 -0.19 -0.07 -1.32 0.00 0.00 178.16 176.88 1bxc h LEU 310 N 0.18 0.37 -0.48 2.82 3.38 -0.97 -0.89 115.31 119.71 1bxc h LEU 310 Ca 0.06 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1bxc h LEU 310 Cb 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1bxc h LEU 310 CO -0.01 0.57 0.04 0.40 0.09 0.00 0.00 178.44 179.53 1bxc h ILE 311 N 0.35 1.26 -0.24 1.22 2.04 -1.23 -2.53 117.51 118.36 1bxc h ILE 311 Ca 0.06 -0.99 -0.19 0.00 1.00 0.00 0.00 64.86 64.74 1bxc h ILE 311 Cb 0.53 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1bxc h ILE 311 CO 0.03 0.35 -0.59 -0.07 0.00 0.00 0.00 178.15 177.88 1bxc h LEU 312 N 0.68 0.87 -0.06 1.44 3.38 -1.19 -1.39 115.31 119.05 1bxc h LEU 312 Ca 0.14 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.66 1bxc h LEU 312 Cb 0.45 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1bxc h LEU 312 CO 0.02 1.26 -0.21 0.50 0.09 0.00 0.00 178.44 180.10 1bxc h LYS 313 N 0.58 -0.30 -0.82 1.13 3.64 -1.11 0.33 116.57 120.02 1bxc h LYS 313 Ca 0.00 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1bxc h LYS 313 Cb 1.18 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 1bxc h LYS 313 CO 0.12 -0.20 0.53 1.49 -2.27 0.00 0.00 179.45 179.12 1bxc h GLU 314 N -0.31 1.00 -0.38 1.90 4.81 -1.40 -1.87 114.58 118.33 1bxc h GLU 314 Ca 0.08 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 1bxc h GLU 314 Cb 0.42 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1bxc h GLU 314 CO -0.24 0.66 -0.21 -0.09 -0.73 0.00 0.00 179.01 178.40 1bxc h ARG 315 N 1.03 0.82 -0.20 1.92 9.65 -0.63 -1.94 114.38 125.03 1bxc h ARG 315 Ca 0.32 -0.37 -0.08 0.00 -1.10 0.00 0.00 59.98 58.75 1bxc h ARG 315 Cb -0.01 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 1bxc h ARG 315 CO -0.11 1.00 -0.22 0.00 2.80 0.00 0.00 179.97 183.44 1bxc h ALA 316 N 0.80 1.24 -0.31 2.80 0.00 -0.17 -1.36 119.26 122.26 1bxc h ALA 316 Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1bxc h ALA 316 Cb 0.77 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1bxc h ALA 316 CO 0.06 0.50 0.20 0.93 0.00 0.00 0.00 179.25 180.94 1bxc h GLU 317 N 0.33 0.42 -0.15 0.00 5.08 -1.01 -2.19 114.58 117.05 1bxc h GLU 317 Ca 0.05 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 1bxc h GLU 317 Cb 0.58 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1bxc h GLU 317 CO 0.04 0.29 -0.51 0.00 -1.00 0.00 0.00 179.01 177.83 1bxc h ALA 318 N 1.10 0.83 -0.44 3.43 0.00 -1.13 -2.91 119.26 120.14 1bxc h ALA 318 Ca 0.11 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1bxc h ALA 318 Cb -0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1bxc h ALA 318 CO -0.02 0.68 0.25 0.35 0.00 0.00 0.00 179.25 180.50 1bxc h PHE 319 N 0.34 0.46 0.00 0.00 3.57 -1.08 -2.35 116.94 117.88 1bxc h PHE 319 Ca 0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1bxc h PHE 319 Cb 1.02 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1bxc h PHE 319 CO 0.03 0.26 0.00 0.00 -2.23 0.00 0.00 178.31 176.37 1bxc h ARG 320 N 0.50 0.00 -0.00 1.11 2.47 -1.20 -2.43 114.38 114.83 1bxc h ARG 320 Ca 0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 1bxc h ARG 320 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1bxc h ARG 320 CO -0.10 0.00 -0.58 0.39 0.56 0.00 0.00 179.97 180.24 1bxc n GLU 321 N -2.58 0.10 -1.94 0.04 -0.58 -0.90 -4.71 120.64 110.08 1bxc n GLU 321 Ca 0.01 -0.07 -0.42 0.00 -0.42 0.00 0.00 57.16 56.26 1bxc n GLU 321 Cb 0.24 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 1bxc n GLU 321 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1bxc s ASP 322 N -2.94 6.59 0.24 1.62 -1.08 -0.92 -4.91 116.67 115.27 1bxc s ASP 322 Ca 0.12 2.62 -0.07 0.00 -0.52 0.00 0.00 52.55 54.71 1bxc s ASP 322 Cb 0.17 -2.60 0.23 0.00 -1.46 0.00 0.00 42.92 39.27 1bxc s ASP 322 CO 0.71 -0.82 1.89 -0.65 0.52 0.00 0.00 175.17 176.82 1bxc h PRO 323 N 6.68 1.28 -0.20 4.34 0.11 -1.91 -0.78 132.00 141.53 1bxc h PRO 323 Ca -0.43 -0.11 -0.16 0.00 0.11 0.00 0.00 66.00 65.41 1bxc h PRO 323 Cb 1.21 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1bxc h PRO 323 CO 0.91 0.89 -0.53 1.49 -0.21 0.00 0.00 178.00 180.55 1bxc h GLU 324 N 1.31 0.58 -0.30 1.05 4.81 -1.97 0.20 114.58 120.26 1bxc h GLU 324 Ca 0.34 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1bxc h GLU 324 Cb -0.06 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1bxc h GLU 324 CO -0.06 0.96 0.08 0.28 -0.73 0.00 0.00 179.01 179.54 1bxc h VAL 325 N 0.45 1.21 -0.84 0.32 2.07 -1.77 -0.22 116.25 117.47 1bxc h VAL 325 Ca 0.01 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1bxc h VAL 325 Cb 1.07 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1bxc h VAL 325 CO 0.10 0.23 0.40 0.11 0.02 0.00 0.00 177.57 178.44 1bxc h LYS 326 N 0.32 1.20 -0.46 1.57 1.57 -0.93 -0.63 116.57 119.21 1bxc h LYS 326 Ca 0.10 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1bxc h LYS 326 Cb 0.27 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1bxc h LYS 326 CO -0.00 0.92 -0.02 0.93 -0.57 0.00 0.00 179.45 180.71 1bxc h GLU 327 N 1.19 0.77 -0.12 3.15 3.07 -0.75 -2.08 114.58 119.80 1bxc h GLU 327 Ca 0.29 -0.21 -0.05 0.00 -0.50 0.00 0.00 59.36 58.89 1bxc h GLU 327 Cb 0.11 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1bxc h GLU 327 CO -0.04 0.79 -0.12 -0.07 -1.40 0.00 0.00 179.01 178.18 1bxc h LEU 328 N 0.71 0.31 -1.44 1.33 3.38 -0.34 -2.81 115.31 116.46 1bxc h LEU 328 Ca 0.14 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1bxc h LEU 328 Cb 0.47 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1bxc h LEU 328 CO 0.02 0.72 -0.01 -0.07 0.09 0.00 0.00 178.44 179.20 1bxc h LEU 329 N -0.10 0.33 -0.44 1.67 3.38 -1.16 -2.76 115.31 116.24 1bxc h LEU 329 Ca 0.02 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1bxc h LEU 329 Cb 0.63 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1bxc h LEU 329 CO 0.03 0.39 0.01 0.00 0.09 0.00 0.00 178.44 178.96 1bxc h ALA 330 N 1.65 0.60 0.00 1.53 0.00 -1.36 -1.52 119.26 120.16 1bxc h ALA 330 Ca 0.08 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1bxc h ALA 330 Cb 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1bxc h ALA 330 CO 0.01 0.38 -0.42 0.00 0.00 0.00 0.00 179.25 179.21 1bxc h ALA 331 N 0.91 1.10 0.00 0.00 0.00 -1.22 -2.04 119.26 118.01 1bxc h ALA 331 Ca 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1bxc h ALA 331 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1bxc h ALA 331 CO 0.02 0.53 -1.96 2.48 0.00 0.00 0.00 179.25 180.32 1bxc n TYR 332 N -3.74 0.00 1.56 0.00 0.18 -1.11 -3.60 117.16 110.45 1bxc n TYR 332 Ca -0.01 0.00 0.15 0.00 1.88 0.00 0.00 57.90 59.92 1bxc n TYR 332 Cb 0.50 -0.48 0.70 0.00 -0.38 0.00 0.00 39.34 39.68 1bxc n TYR 332 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1bxc n TYR 333 N -2.23 0.00 -0.86 -3.48 4.01 -0.58 -4.93 117.16 109.09 1bxc n TYR 333 Ca -0.04 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.35 1bxc n TYR 333 Cb 0.55 -0.13 -0.06 0.00 -0.31 0.00 0.00 39.34 39.39 1bxc n TYR 333 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1bxc n GLN 334 N -0.87 0.00 -4.09 -0.72 7.27 -0.77 -4.96 117.38 113.24 1bxc n GLN 334 Ca 0.17 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.92 1bxc n GLN 334 Cb 0.24 -0.80 -0.16 0.00 2.41 0.00 0.00 30.24 31.93 1bxc n GLN 334 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1bxc s GLU 335 N 2.05 2.77 -0.18 3.69 2.02 -1.26 -5.10 118.70 122.70 1bxc s GLU 335 Ca 0.58 -0.78 -0.29 0.00 0.02 0.00 0.00 54.97 54.50 1bxc s GLU 335 Cb -0.80 -2.46 -0.00 0.00 0.10 0.00 0.00 34.13 30.97 1bxc s GLU 335 CO 0.41 -0.23 1.09 0.34 0.02 0.00 0.00 175.26 176.89 1bxc s ASP 336 N 1.34 7.10 0.57 -0.19 -1.08 -1.26 -4.94 116.67 118.21 1bxc s ASP 336 Ca 0.04 1.51 0.35 0.00 -0.52 0.00 0.00 52.55 53.93 1bxc s ASP 336 Cb -0.13 -2.54 1.55 0.00 -1.46 0.00 0.00 42.92 40.33 1bxc s ASP 336 CO -0.12 -0.63 2.05 1.55 0.52 0.00 0.00 175.17 178.54 1bxc h PRO 337 N 7.51 0.00 0.00 4.34 0.13 -1.99 -0.37 132.00 141.62 1bxc h PRO 337 Ca -0.24 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.86 1bxc h PRO 337 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1bxc h PRO 337 CO 0.94 0.02 -0.13 0.00 -0.23 0.00 0.00 178.00 178.60 1bxc h ALA 338 N 1.98 1.20 0.17 -0.56 0.00 -2.02 -2.88 119.26 117.15 1bxc h ALA 338 Ca -0.00 -0.11 -0.32 0.00 0.00 0.00 0.00 54.91 54.47 1bxc h ALA 338 Cb 0.42 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1bxc h ALA 338 CO 0.00 0.16 -1.54 0.00 0.00 0.00 0.00 179.25 177.87 1bxc h ALA 339 N 1.87 0.12 0.00 0.00 0.00 -1.48 -3.36 119.26 116.41 1bxc h ALA 339 Ca -0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 54.91 53.86 1bxc h ALA 339 Cb 0.41 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1bxc h ALA 339 CO 0.02 0.99 -0.06 -0.07 0.00 0.00 0.00 179.25 180.12 1bxc h LEU 340 N 0.10 0.00 -1.16 0.00 3.38 -1.24 -2.06 115.31 114.32 1bxc h LEU 340 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1bxc h LEU 340 Cb 2.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.82 1bxc h LEU 340 CO 0.20 0.06 0.00 -0.81 0.09 0.00 0.00 178.44 177.98 1bxc n PRO 341 N -3.62 1.80 0.00 1.13 -0.04 -1.21 -2.09 135.00 130.97 1bxc n PRO 341 Ca -0.02 -1.16 0.13 0.00 -0.04 0.00 0.00 63.50 62.41 1bxc n PRO 341 Cb 0.17 -1.47 0.43 0.00 -0.04 0.00 0.00 33.50 32.59 1bxc n PRO 341 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bxc n LEU 342 N 0.40 0.39 -5.02 1.53 4.77 -0.78 -4.97 117.00 113.33 1bxc n LEU 342 Ca 0.18 0.12 -0.21 0.00 -0.03 0.00 0.00 56.01 56.08 1bxc n LEU 342 Cb 0.40 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1bxc n LEU 342 CO 0.16 0.09 0.31 -0.04 -1.33 0.00 0.00 177.39 176.58 1bxc s MET 343 N -2.86 2.28 2.89 3.23 -1.94 -0.89 -4.92 119.30 117.08 1bxc s MET 343 Ca 0.16 -1.72 0.00 0.00 -1.71 0.00 0.00 55.69 52.42 1bxc s MET 343 Cb 0.19 -2.56 0.00 0.00 2.01 0.00 0.00 34.83 34.47 1bxc s MET 343 CO 0.60 -0.85 0.00 -0.25 -0.01 0.00 0.00 175.02 174.50 1bxc n ASP 344 N -2.19 -1.14 -4.75 3.03 8.00 -1.26 -4.95 116.55 113.28 1bxc n ASP 344 Ca 0.13 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.31 1bxc n ASP 344 Cb 0.62 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.79 1bxc n ASP 344 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1bxc s PRO 345 N 0.00 2.46 0.35 -0.24 0.02 -1.26 -4.90 135.00 131.43 1bxc s PRO 345 Ca 0.00 1.44 -0.28 0.00 0.02 0.00 0.00 61.00 62.18 1bxc s PRO 345 Cb 0.00 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.52 1bxc s PRO 345 CO 0.00 -1.52 1.30 -0.47 -0.33 0.00 0.00 177.00 175.98 1bxc s TYR 346 N -2.38 2.99 -0.07 6.54 5.04 -1.26 -5.02 117.35 123.19 1bxc s TYR 346 Ca 0.67 1.42 -0.14 0.00 -2.44 0.00 0.00 57.07 56.59 1bxc s TYR 346 Cb -0.22 -3.67 0.03 0.00 0.35 0.00 0.00 41.96 38.46 1bxc s TYR 346 CO 0.46 -1.89 0.33 -1.54 -1.34 0.00 0.00 175.55 171.57 1bxc s SER 347 N -0.58 -0.27 0.32 4.32 1.04 -1.26 -5.03 113.70 112.24 1bxc s SER 347 Ca 0.51 0.37 0.09 0.00 0.48 0.00 0.00 55.95 57.40 1bxc s SER 347 Cb -0.39 0.49 0.85 0.00 0.10 0.00 0.00 66.02 67.08 1bxc s SER 347 CO 0.51 -0.30 1.74 -0.74 0.98 0.00 0.00 173.24 175.43 1bxc h HIS 348 N 4.63 1.02 0.00 5.02 2.76 -2.00 -1.05 115.15 125.53 1bxc h HIS 348 Ca -0.28 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.89 1bxc h HIS 348 Cb 1.18 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.84 1bxc h HIS 348 CO 0.47 0.12 -0.77 1.05 -1.30 0.00 0.00 177.93 177.49 1bxc h GLU 349 N 0.63 0.00 -0.63 5.26 9.09 -1.98 -2.56 114.58 124.39 1bxc h GLU 349 Ca 0.62 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.96 1bxc h GLU 349 Cb 1.14 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.21 1bxc h GLU 349 CO -0.44 0.08 0.09 -0.22 0.05 0.00 0.00 179.01 178.57 1bxc h LYS 350 N 0.00 1.06 -0.73 1.06 3.64 -1.60 0.47 116.57 120.46 1bxc h LYS 350 Ca -0.02 -0.29 -0.07 0.00 -1.27 0.00 0.00 60.65 59.00 1bxc h LYS 350 Cb 1.11 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1bxc h LYS 350 CO 0.01 0.99 0.19 0.00 -2.27 0.00 0.00 179.45 178.37 1bxc h ALA 351 N 1.03 0.96 -0.08 5.00 0.00 -1.25 -0.54 119.26 124.37 1bxc h ALA 351 Ca 0.19 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1bxc h ALA 351 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1bxc h ALA 351 CO 0.02 0.67 -0.72 0.93 0.00 0.00 0.00 179.25 180.15 1bxc h GLU 352 N 1.10 0.40 -0.30 0.00 4.39 -1.33 -1.34 114.58 117.49 1bxc h GLU 352 Ca 0.23 -0.32 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 1bxc h GLU 352 Cb 0.36 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1bxc h GLU 352 CO 0.00 0.96 -0.02 0.00 -1.16 0.00 0.00 179.01 178.79 1bxc h ALA 353 N 0.95 0.41 -0.47 3.43 0.00 -0.75 -2.52 119.26 120.31 1bxc h ALA 353 Ca -0.03 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.67 1bxc h ALA 353 Cb 1.29 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1bxc h ALA 353 CO 0.12 0.18 0.23 1.25 0.00 0.00 0.00 179.25 181.04 1bxc h LEU 354 N 0.34 0.33 -0.36 0.00 5.85 -0.96 0.71 115.31 121.21 1bxc h LEU 354 Ca 0.08 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1bxc h LEU 354 Cb 0.47 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1bxc h LEU 354 CO 0.02 0.23 0.00 0.29 -0.34 0.00 0.00 178.44 178.64 1bxc n LYS 355 N -4.91 0.22 0.00 1.25 5.02 -0.52 -2.10 118.16 117.13 1bxc n LYS 355 Ca 0.04 0.32 0.07 0.00 -2.02 0.00 0.00 58.31 56.71 1bxc n LYS 355 Cb 0.13 -1.84 -0.07 0.00 -0.02 0.00 0.00 35.03 33.23 1bxc n LYS 355 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1bxc n ARG 356 N -2.24 2.41 -1.82 1.97 1.85 -0.96 -4.99 116.66 112.88 1bxc n ARG 356 Ca 0.04 -0.06 -0.41 0.00 -1.00 0.00 0.00 57.85 56.41 1bxc n ARG 356 Cb 0.32 -1.15 -0.01 0.00 -1.05 0.00 0.00 32.46 30.57 1bxc n ARG 356 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1bxc s ALA 357 N -2.25 3.67 -0.54 2.89 0.00 0.22 -4.96 121.76 120.78 1bxc s ALA 357 Ca 0.06 1.55 -0.19 0.00 0.00 0.00 0.00 51.96 53.37 1bxc s ALA 357 Cb 0.10 -3.62 0.07 0.00 0.00 0.00 0.00 23.12 19.67 1bxc s ALA 357 CO 0.55 -0.98 0.68 -2.00 0.00 0.00 0.00 175.76 174.01 1bxc s GLU 358 N -1.13 3.11 0.20 0.00 2.12 -1.26 -5.03 118.70 116.71 1bxc s GLU 358 Ca 0.59 -0.99 -0.16 0.00 0.36 0.00 0.00 54.97 54.77 1bxc s GLU 358 Cb -0.47 -4.15 -0.08 0.00 0.26 0.00 0.00 34.13 29.69 1bxc s GLU 358 CO 0.53 -1.37 0.64 -0.51 -0.54 0.00 0.00 175.26 174.02 1bxc s LEU 359 N 2.79 4.30 -1.35 2.70 1.43 -1.26 -4.99 118.68 122.30 1bxc s LEU 359 Ca 0.15 1.23 -0.10 0.00 -1.03 0.00 0.00 54.13 54.37 1bxc s LEU 359 Cb -0.20 -3.50 0.12 0.00 0.03 0.00 0.00 46.19 42.63 1bxc s LEU 359 CO 0.10 0.03 2.07 -0.81 0.23 0.00 0.00 176.35 177.98 1bxc n PRO 360 N 0.60 3.49 0.01 1.29 -0.04 -1.26 -4.80 135.00 134.29 1bxc n PRO 360 Ca -0.03 -3.20 -0.18 0.00 -0.04 0.00 0.00 63.50 60.05 1bxc n PRO 360 Cb 0.52 -3.00 -0.10 0.00 -0.04 0.00 0.00 33.50 30.88 1bxc n PRO 360 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bxc h LEU 361 N 8.22 0.77 -1.05 1.53 4.07 -1.98 -2.61 115.31 124.24 1bxc h LEU 361 Ca 0.49 -0.71 -0.08 0.00 0.08 0.00 0.00 57.88 57.66 1bxc h LEU 361 Cb 0.59 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1bxc h LEU 361 CO 1.70 1.37 -0.19 -0.08 -1.08 0.00 0.00 178.44 180.16 1bxc h GLU 362 N 0.23 0.45 -0.46 1.13 4.57 -1.99 0.13 114.58 118.64 1bxc h GLU 362 Ca -0.09 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 57.88 1bxc h GLU 362 Cb 1.46 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.99 1bxc h GLU 362 CO 0.16 0.62 0.03 0.00 -1.18 0.00 0.00 179.01 178.65 1bxc h ALA 363 N 1.39 1.20 0.00 2.92 0.00 -1.95 -1.76 119.26 121.07 1bxc h ALA 363 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1bxc h ALA 363 Cb 0.57 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1bxc h ALA 363 CO 0.04 0.53 -0.35 0.87 0.00 0.00 0.00 179.25 180.33 1bxc h LYS 364 N 0.69 0.00 -0.06 0.00 1.79 -0.94 -3.18 116.57 114.88 1bxc h LYS 364 Ca 0.14 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.51 1bxc h LYS 364 Cb 0.38 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1bxc h LYS 364 CO 0.01 0.00 -0.37 0.00 -1.08 0.00 0.00 179.45 178.01 1bxc h ARG 365 N 0.00 0.35 0.00 3.15 -0.00 -0.04 -3.21 114.38 114.63 1bxc h ARG 365 Ca 0.00 -0.30 0.00 0.00 -0.50 0.00 0.00 59.98 59.18 1bxc h ARG 365 Cb 0.85 0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.89 1bxc h ARG 365 CO 0.00 0.95 0.00 0.72 0.00 0.00 0.00 179.97 181.64 1bxc n HIS 366 N -4.38 0.61 -2.03 3.04 8.25 -0.73 -4.88 115.22 115.10 1bxc n HIS 366 Ca -0.09 0.22 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 1bxc n HIS 366 Cb 0.53 -0.85 -0.03 0.00 1.12 0.00 0.00 29.99 30.76 1bxc n HIS 366 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1bxc s ARG 367 N -3.18 4.24 -0.00 -0.41 3.00 -1.20 -5.01 118.95 116.39 1bxc s ARG 367 Ca 0.07 2.22 -0.02 0.00 -1.00 0.00 0.00 55.73 57.00 1bxc s ARG 367 Cb 0.11 -3.40 -0.04 0.00 0.00 0.00 0.00 34.95 31.62 1bxc s ARG 367 CO 0.43 -0.61 0.17 0.20 0.00 0.00 0.00 175.30 175.49 1bxc s GLY 368 N 1.70 2.16 0.00 8.12 0.00 -1.26 -5.02 107.32 113.02 1bxc s GLY 368 Ca 0.69 -0.78 0.19 0.00 0.00 0.00 0.00 44.72 44.82 1bxc s GLY 368 CO 0.31 -0.68 1.21 -1.72 0.00 0.00 0.00 173.10 172.22 1bxc n TYR 369 N 0.93 0.23 -3.46 1.90 4.02 -1.26 -4.99 117.16 114.53 1bxc n TYR 369 Ca -0.11 -0.14 -0.25 0.00 -0.01 0.00 0.00 57.90 57.39 1bxc n TYR 369 Cb 0.52 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.86 1bxc n TYR 369 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bxc n ALA 370 N 1.14 -1.12 0.60 -0.72 0.00 -1.26 -4.87 120.51 114.28 1bxc n ALA 370 Ca 0.14 0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.91 1bxc n ALA 370 Cb 0.51 -3.85 0.31 0.00 0.00 0.00 0.00 19.45 16.42 1bxc n ALA 370 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bxc n LEU 371 N -4.22 0.80 -0.03 0.00 4.77 -1.26 -2.24 117.00 114.81 1bxc n LEU 371 Ca -0.02 0.45 -0.15 0.00 -0.03 0.00 0.00 56.01 56.26 1bxc n LEU 371 Cb 0.56 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 41.29 1bxc n LEU 371 CO 0.59 -0.14 0.47 -0.08 -1.33 0.00 0.00 177.39 176.90 1bxc h GLU 372 N 0.00 0.31 -0.67 3.23 4.57 -1.98 0.15 114.58 120.19 1bxc h GLU 372 Ca 0.00 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 57.92 1bxc h GLU 372 Cb 0.75 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.35 1bxc h GLU 372 CO 0.00 0.87 0.31 -0.09 -1.18 0.00 0.00 179.01 178.92 1bxc h ARG 373 N -0.19 0.97 -0.71 1.92 2.43 -1.96 0.47 114.38 117.31 1bxc h ARG 373 Ca -0.01 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 58.94 1bxc h ARG 373 Cb 0.91 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 1bxc h ARG 373 CO 0.06 0.78 0.18 1.25 -1.51 0.00 0.00 179.97 180.72 1bxc h LEU 374 N 0.93 1.07 -0.62 3.80 5.85 -1.40 -1.13 115.31 123.80 1bxc h LEU 374 Ca 0.23 -0.23 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1bxc h LEU 374 Cb 0.14 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1bxc h LEU 374 CO -0.03 1.02 -0.51 -0.78 -0.34 0.00 0.00 178.44 177.81 1bxc h ASP 375 N 1.07 0.51 -0.36 1.25 3.58 -0.36 -2.20 116.42 119.92 1bxc h ASP 375 Ca 0.22 -0.26 -0.12 0.00 0.42 0.00 0.00 57.03 57.29 1bxc h ASP 375 Cb 0.37 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1bxc h ASP 375 CO 0.00 0.93 -0.24 -0.61 -2.88 0.00 0.00 179.24 176.45 1bxc h GLN 376 N 0.37 0.86 -0.59 0.28 5.75 -0.71 -2.16 115.11 118.91 1bxc h GLN 376 Ca 0.01 -0.36 0.04 0.00 -0.15 0.00 0.00 58.65 58.19 1bxc h GLN 376 Cb 1.02 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.49 1bxc h GLN 376 CO 0.09 1.00 0.34 -0.07 -2.65 0.00 0.00 178.83 177.54 1bxc h LEU 377 N 0.74 0.53 -0.90 -2.39 3.38 -1.02 -0.42 115.31 115.23 1bxc h LEU 377 Ca 0.10 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1bxc h LEU 377 Cb 0.78 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1bxc h LEU 377 CO 0.06 0.36 -0.24 0.00 0.09 0.00 0.00 178.44 178.72 1bxc h ALA 378 N 1.29 1.07 -0.36 1.53 0.00 -1.23 -1.25 119.26 120.32 1bxc h ALA 378 Ca 0.25 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1bxc h ALA 378 Cb 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1bxc h ALA 378 CO -0.14 0.57 -0.42 0.28 0.00 0.00 0.00 179.25 179.54 1bxc h VAL 379 N 0.47 1.27 0.00 0.00 2.07 -0.91 -0.05 116.25 119.11 1bxc h VAL 379 Ca 0.07 -1.60 -0.07 0.00 0.82 0.00 0.00 66.70 65.92 1bxc h VAL 379 Cb 0.67 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1bxc h VAL 379 CO 0.05 0.53 -0.32 -0.33 0.02 0.00 0.00 177.57 177.52 1bxc h GLU 380 N 0.73 0.00 -0.11 1.57 5.08 -0.84 0.56 114.58 121.57 1bxc h GLU 380 Ca 0.05 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1bxc h GLU 380 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1bxc h GLU 380 CO 0.10 0.32 -0.33 1.88 -1.00 0.00 0.00 179.01 179.98 1bxc h TYR 381 N 0.00 0.55 -0.71 4.33 0.05 -0.99 -0.29 116.97 119.91 1bxc h TYR 381 Ca -0.00 -0.22 0.10 0.00 0.05 0.00 0.00 58.73 58.66 1bxc h TYR 381 Cb 0.61 -0.09 -0.08 0.00 1.01 0.00 0.00 36.73 38.18 1bxc h TYR 381 CO 0.00 0.95 0.33 -0.07 -1.05 0.00 0.00 178.16 178.32 1bxc h LEU 382 N -0.01 0.41 0.00 3.88 3.38 -0.41 -0.66 115.31 121.89 1bxc h LEU 382 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1bxc h LEU 382 Cb 0.95 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1bxc h LEU 382 CO 0.07 0.22 0.00 0.18 0.09 0.00 0.00 178.44 179.00 1bxc n LEU 383 N -4.90 0.00 -0.14 1.67 4.77 0.14 -4.88 117.00 113.66 1bxc n LEU 383 Ca 0.12 0.45 -0.02 0.00 -0.03 0.00 0.00 56.01 56.53 1bxc n LEU 383 Cb 0.31 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1bxc n LEU 383 CO 0.23 -0.17 -0.02 0.61 -1.33 0.00 0.00 177.39 176.72 1bxc n GLY 384 N 0.36 0.54 0.00 -0.72 0.00 -0.26 -4.86 105.19 100.25 1bxc n GLY 384 Ca 0.05 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.79 1bxc n GLY 384 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bxc n VAL 385 N -2.85 0.07 0.00 1.61 0.31 -0.17 -4.12 118.33 113.19 1bxc n VAL 385 Ca -0.02 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1bxc n VAL 385 Cb 0.11 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 1bxc n VAL 385 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1bxc n ARG 386 N -1.45 2.00 0.00 5.55 1.74 -1.17 -4.99 116.66 118.35 1bxc n ARG 386 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1bxc n ARG 386 Cb 0.30 -0.65 0.00 0.00 -1.02 0.00 0.00 32.46 31.09 1bxc n ARG 386 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52