#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxw h ARG 2 N 0.00 0.00 -0.18 1.20 9.65 -0.82 -2.13 114.38 122.09 1xxw h ARG 2 Ca 0.00 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 1xxw h ARG 2 Cb 0.00 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1xxw h ARG 2 CO 0.00 0.03 -0.14 2.35 2.80 0.00 0.00 179.97 185.01 1xxw h TRP 3 N 0.00 0.49 -0.18 2.20 7.01 -1.98 -3.05 115.95 120.44 1xxw h TRP 3 Ca -0.00 -0.14 -0.01 0.00 2.11 0.00 0.00 58.89 60.85 1xxw h TRP 3 Cb 0.07 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 1xxw h TRP 3 CO 0.00 0.76 0.06 1.96 -2.79 0.00 0.00 178.44 178.44 1xxw h GLN 4 N 0.08 0.25 0.00 2.65 4.20 -1.80 0.16 115.11 120.65 1xxw h GLN 4 Ca 0.03 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 1xxw h GLN 4 Cb 0.66 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1xxw h GLN 4 CO 0.04 0.22 -0.34 0.35 -0.67 0.00 0.00 178.83 178.42 1xxw h PHE 5 N 0.25 0.00 -0.25 2.96 3.57 -1.42 -1.34 116.94 120.72 1xxw h PHE 5 Ca 0.06 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 1xxw h PHE 5 Cb 0.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1xxw h PHE 5 CO 0.00 0.34 -0.46 0.87 -2.23 0.00 0.00 178.31 176.84 1xxw h LYS 6 N 0.00 0.75 -0.65 1.11 1.57 -0.88 -2.70 116.57 115.77 1xxw h LYS 6 Ca -0.00 -0.47 -0.05 0.00 -1.87 0.00 0.00 60.65 58.26 1xxw h LYS 6 Cb 0.63 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1xxw h LYS 6 CO 0.04 1.10 0.22 -0.91 -0.57 0.00 0.00 179.45 179.33 1xxw h ASN 7 N 0.48 0.91 0.12 0.86 2.35 -1.01 -2.65 115.58 116.64 1xxw h ASN 7 Ca 0.01 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1xxw h ASN 7 Cb 1.06 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.19 1xxw h ASN 7 CO 0.10 0.84 -0.06 0.24 -1.65 0.00 0.00 177.43 176.91 1xxw h MET 8 N 0.96 -0.16 -0.94 0.81 2.86 -1.15 0.03 114.93 117.34 1xxw h MET 8 Ca 0.22 0.01 0.19 0.00 -2.06 0.00 0.00 59.70 58.06 1xxw h MET 8 Cb 0.25 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 31.86 1xxw h MET 8 CO -0.01 -0.05 0.61 0.82 1.06 0.00 0.00 176.91 179.33 1xxw h ILE 9 N -0.23 0.71 -0.05 -1.22 2.04 -1.33 0.20 117.51 117.64 1xxw h ILE 9 Ca -0.02 -0.20 -0.18 0.00 1.00 0.00 0.00 64.86 65.46 1xxw h ILE 9 Cb 0.18 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1xxw h ILE 9 CO 0.03 0.11 -0.76 0.28 0.00 0.00 0.00 178.15 177.81 1xxw h SER 10 N 0.58 0.38 0.60 1.72 0.02 -1.09 0.50 113.55 116.26 1xxw h SER 10 Ca 0.51 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1xxw h SER 10 Cb 1.02 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1xxw h SER 10 CO -0.25 1.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.44 1xxw n THR 12 N -2.27 0.00 -3.32 0.00 -2.24 -0.76 -4.01 114.28 101.67 1xxw n THR 12 Ca 0.01 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.54 1xxw n THR 12 Cb 0.20 -0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 67.42 1xxw n THR 12 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1xxw n VAL 13 N -2.05 1.25 0.14 2.28 0.31 0.17 -4.80 118.33 115.63 1xxw n VAL 13 Ca 0.00 -4.79 0.16 0.00 -0.01 0.00 0.00 64.34 59.70 1xxw n VAL 13 Cb 0.50 -2.01 0.72 0.00 -0.91 0.00 0.00 33.84 32.14 1xxw n VAL 13 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1xxw h PRO 14 N 4.06 0.00 0.00 5.55 0.11 -1.67 -1.91 132.00 138.14 1xxw h PRO 14 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1xxw h PRO 14 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1xxw h PRO 14 CO 0.70 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.36 1xxw n SER 15 N -4.25 0.00 -3.82 -2.05 3.41 -1.26 -4.81 113.62 100.84 1xxw n SER 15 Ca 0.03 -0.56 -0.15 0.00 -0.26 0.00 0.00 58.87 57.94 1xxw n SER 15 Cb 0.37 -0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 64.20 1xxw n SER 15 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xxw s ARG 17 N -2.06 1.46 0.30 4.33 0.52 -0.72 -5.17 118.95 117.61 1xxw s ARG 17 Ca 0.29 -1.78 0.11 0.00 -0.52 0.00 0.00 55.73 53.83 1xxw s ARG 17 Cb 0.14 0.30 -0.05 0.00 0.52 0.00 0.00 34.95 35.86 1xxw s ARG 17 CO 0.24 -0.52 -0.15 0.45 0.02 0.00 0.00 175.30 175.34 1xxw s SER 18 N -3.24 3.68 0.57 0.23 0.15 -1.26 -4.80 113.70 109.03 1xxw s SER 18 Ca 0.39 -1.07 0.30 0.00 0.70 0.00 0.00 55.95 56.27 1xxw s SER 18 Cb 0.05 -0.34 1.74 0.00 -1.71 0.00 0.00 66.02 65.75 1xxw s SER 18 CO 0.19 -0.05 2.20 4.11 1.20 0.00 0.00 173.24 180.89 1xxw h TRP 19 N 2.17 0.00 -0.77 3.44 0.09 -1.96 -1.79 115.95 117.13 1xxw h TRP 19 Ca -0.41 0.00 0.12 0.00 0.09 0.00 0.00 58.89 58.69 1xxw h TRP 19 Cb 1.26 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 30.44 1xxw h TRP 19 CO 0.79 0.04 0.51 -1.49 0.09 0.00 0.00 178.44 178.37 1xxw h TRP 20 N 0.00 0.65 0.00 0.12 4.06 -1.98 0.44 115.95 119.24 1xxw h TRP 20 Ca -0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1xxw h TRP 20 Cb 0.11 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 28.06 1xxw h TRP 20 CO 0.00 0.28 0.00 -0.44 -3.56 0.00 0.00 178.44 174.72 1xxw h ASP 21 N 0.58 0.00 -0.01 -3.49 5.19 -1.73 -0.54 116.42 116.43 1xxw h ASP 21 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 1xxw h ASP 21 Cb 0.63 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1xxw h ASP 21 CO -0.14 0.00 -0.46 0.49 -3.12 0.00 0.00 179.24 176.01 1xxw n PHE 22 N -3.02 0.00 0.25 4.55 3.72 0.13 -4.46 117.46 118.64 1xxw n PHE 22 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 1xxw n PHE 22 Cb 0.13 0.00 0.65 0.00 -0.94 0.00 0.00 39.48 39.33 1xxw n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xxw h ALA 23 N 2.25 1.24 -1.61 4.37 0.00 0.82 -2.80 119.26 123.53 1xxw h ALA 23 Ca 0.00 -0.14 -0.37 0.00 0.00 0.00 0.00 54.91 54.39 1xxw h ALA 23 Cb 0.41 -0.02 -0.27 0.00 0.00 0.00 0.00 17.79 17.91 1xxw h ALA 23 CO 0.00 0.19 -0.74 -3.47 0.00 0.00 0.00 179.25 175.23 1xxw n ASP 24 N -3.62 -1.90 -3.75 0.00 4.64 -1.25 -3.60 116.55 107.07 1xxw n ASP 24 Ca -0.01 -2.68 -0.14 0.00 -1.38 0.00 0.00 54.79 50.58 1xxw n ASP 24 Cb 0.29 0.59 -0.15 0.00 -1.04 0.00 0.00 41.12 40.81 1xxw n ASP 24 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 1xxw s TYR 25 N 0.38 -0.13 0.00 -0.67 6.14 -1.26 -1.68 117.35 120.14 1xxw s TYR 25 Ca 0.32 0.42 0.00 0.00 0.64 0.00 0.00 57.07 58.44 1xxw s TYR 25 Cb 0.04 -0.11 0.00 0.00 0.42 0.00 0.00 41.96 42.31 1xxw s TYR 25 CO -0.13 -0.15 0.00 0.41 0.64 0.00 0.00 175.55 176.32 1xxw n GLY 26 N 4.16 0.65 0.02 8.97 0.00 -0.67 -2.69 105.19 115.63 1xxw n GLY 26 Ca -0.26 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.08 1xxw n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxw n TYR 28 N -2.25 0.00 -1.45 0.00 4.02 -1.26 -3.58 117.16 112.64 1xxw n TYR 28 Ca -0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.49 1xxw n TYR 28 Cb 0.60 -0.22 0.07 0.00 -0.02 0.00 0.00 39.34 39.78 1xxw n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xxw n GLY 30 N -1.01 1.04 0.00 0.00 0.00 -1.05 -4.26 105.19 99.91 1xxw n GLY 30 Ca 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1xxw n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xxw n ARG 31 N 0.00 0.00 -2.32 1.61 0.63 -1.25 -4.97 116.66 110.36 1xxw n ARG 31 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 1xxw n ARG 31 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 1xxw n ARG 31 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1xxw s GLY 32 N -0.17 1.82 0.47 5.14 0.00 -1.26 -4.95 107.32 108.37 1xxw s GLY 32 Ca 0.00 0.69 0.02 0.00 0.00 0.00 0.00 44.72 45.43 1xxw s GLY 32 CO 0.00 2.49 0.68 -0.32 0.00 0.00 0.00 173.10 175.95 1xxw s GLY 33 N 1.97 1.68 0.00 0.20 0.00 -1.26 -4.67 107.32 105.24 1xxw s GLY 33 Ca 0.60 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1xxw s GLY 33 CO 0.22 -1.02 0.00 -1.14 0.00 0.00 0.00 173.10 171.16 1xxw n SER 34 N -2.12 0.00 -0.00 1.64 3.41 -1.23 -5.00 113.62 110.31 1xxw n SER 34 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1xxw n SER 34 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1xxw n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xxw n GLY 35 N -0.05 -1.38 3.73 5.00 0.00 -1.03 -4.76 105.19 106.70 1xxw n GLY 35 Ca 0.00 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 1xxw n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xxw s THR 36 N 0.00 5.06 0.59 2.61 2.01 -1.26 -4.96 115.64 119.70 1xxw s THR 36 Ca 0.00 1.23 0.20 0.00 0.31 0.00 0.00 61.69 63.43 1xxw s THR 36 Cb 0.00 -3.94 0.29 0.00 0.01 0.00 0.00 72.50 68.86 1xxw s THR 36 CO 0.00 0.32 1.17 -2.65 -0.69 0.00 0.00 174.62 172.77 1xxw n PRO 37 N 3.49 0.02 0.00 4.92 -0.02 -1.26 -4.74 135.00 137.40 1xxw n PRO 37 Ca -0.05 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1xxw n PRO 37 Cb 0.51 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1xxw n PRO 37 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xxw n VAL 38 N -2.99 0.00 -3.53 -1.45 0.31 -1.26 -4.35 118.33 105.07 1xxw n VAL 38 Ca 0.17 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.41 1xxw n VAL 38 Cb 1.35 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 34.25 1xxw n VAL 38 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xxw s ASP 39 N -0.66 -0.37 0.14 4.52 2.15 -1.26 -4.97 116.67 116.22 1xxw s ASP 39 Ca 0.00 0.13 -0.17 0.00 0.43 0.00 0.00 52.55 52.94 1xxw s ASP 39 Cb 0.00 0.36 -0.01 0.00 -0.30 0.00 0.00 42.92 42.96 1xxw s ASP 39 CO 0.00 -0.53 1.76 0.44 -0.17 0.00 0.00 175.17 176.67 1xxw h ASP 40 N 2.18 0.42 -0.17 -0.34 3.32 -1.94 1.35 116.42 121.25 1xxw h ASP 40 Ca -0.21 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1xxw h ASP 40 Cb 1.21 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1xxw h ASP 40 CO 0.31 0.36 0.07 0.25 -1.72 0.00 0.00 179.24 178.51 1xxw h LEU 41 N 0.45 0.10 -0.89 1.55 5.85 -1.91 -1.23 115.31 119.23 1xxw h LEU 41 Ca 0.12 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1xxw h LEU 41 Cb 0.02 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1xxw h LEU 41 CO -0.02 0.08 0.50 -0.78 -0.34 0.00 0.00 178.44 177.88 1xxw h ASP 42 N 0.16 1.11 -0.66 1.25 1.82 -1.62 -0.45 116.42 118.03 1xxw h ASP 42 Ca 0.07 -0.09 0.13 0.00 -0.39 0.00 0.00 57.03 56.75 1xxw h ASP 42 Cb 0.02 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 39.71 1xxw h ASP 42 CO -0.06 0.88 0.45 -0.09 -1.61 0.00 0.00 179.24 178.81 1xxw h ARG 43 N 1.25 0.31 -0.05 0.28 2.43 0.26 0.79 114.38 119.64 1xxw h ARG 43 Ca 0.32 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1xxw h ARG 43 Cb 0.01 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1xxw h ARG 43 CO -0.05 0.21 0.03 0.00 -1.51 0.00 0.00 179.97 178.64 1xxw h GLN 46 N 1.24 0.59 -0.73 0.00 4.15 -1.03 -1.11 115.11 118.21 1xxw h GLN 46 Ca 0.32 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 1xxw h GLN 46 Cb -0.05 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.49 1xxw h GLN 46 CO -0.06 0.46 0.40 0.28 -1.93 0.00 0.00 178.83 177.97 1xxw h VAL 47 N 0.56 1.22 -0.28 2.39 2.07 -0.98 -0.83 116.25 120.40 1xxw h VAL 47 Ca 0.15 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1xxw h VAL 47 Cb 0.03 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1xxw h VAL 47 CO -0.03 0.24 0.13 -0.74 0.02 0.00 0.00 177.57 177.20 1xxw h HIS 48 N 1.02 0.37 0.14 1.57 -0.00 -0.03 -0.99 115.15 117.23 1xxw h HIS 48 Ca 0.26 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.62 1xxw h HIS 48 Cb 0.03 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 1xxw h HIS 48 CO 0.01 0.28 -0.07 -0.44 -0.00 0.00 0.00 177.93 177.71 1xxw h ASP 49 N 0.39 -0.16 -0.90 3.26 5.19 0.00 -2.56 116.42 121.64 1xxw h ASP 49 Ca 0.10 -0.36 0.21 0.00 -0.62 0.00 0.00 57.03 56.36 1xxw h ASP 49 Cb 0.05 0.04 -0.12 0.00 0.18 0.00 0.00 39.33 39.48 1xxw h ASP 49 CO -0.01 0.33 0.43 0.78 -3.12 0.00 0.00 179.24 177.64 1xxw h ASN 50 N -0.71 0.41 -0.54 6.45 2.35 -1.06 0.26 115.58 122.74 1xxw h ASN 50 Ca -0.02 0.14 0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1xxw h ASN 50 Cb 0.51 0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.95 1xxw h ASN 50 CO 0.03 0.05 0.32 0.00 -1.65 0.00 0.00 177.43 176.18 1xxw h TYR 52 N 0.63 1.10 -0.99 0.00 -1.99 -0.20 -0.52 116.97 114.99 1xxw h TYR 52 Ca 0.22 -0.26 0.07 0.00 2.00 0.00 0.00 58.73 60.76 1xxw h TYR 52 Cb 0.04 -0.26 -0.07 0.00 2.00 0.00 0.00 36.73 38.44 1xxw h TYR 52 CO -0.07 1.08 0.64 -0.91 -0.00 0.00 0.00 178.16 178.90 1xxw h ASN 53 N 0.81 1.01 0.37 3.88 2.35 -0.13 0.14 115.58 124.01 1xxw h ASN 53 Ca 0.11 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1xxw h ASN 53 Cb 0.77 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1xxw h ASN 53 CO 0.06 0.63 -0.18 -0.33 -1.65 0.00 0.00 177.43 175.96 1xxw h GLU 54 N 1.13 -0.48 -0.40 0.81 4.39 -0.65 -3.05 114.58 116.33 1xxw h GLU 54 Ca 0.44 0.03 0.12 0.00 0.34 0.00 0.00 59.36 60.29 1xxw h GLU 54 Cb 0.22 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1xxw h GLU 54 CO -0.19 -0.18 0.40 0.00 -1.16 0.00 0.00 179.01 177.88 1xxw h ALA 55 N -0.34 2.14 0.00 3.43 0.00 -0.51 0.70 119.26 124.68 1xxw h ALA 55 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xxw h ALA 55 Cb 0.53 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xxw h ALA 55 CO 0.08 -0.61 0.00 0.39 0.00 0.00 0.00 179.25 179.12 1xxw n GLU 56 N -3.84 0.17 0.21 0.00 1.02 0.45 -2.38 120.64 116.26 1xxw n GLU 56 Ca 0.07 0.31 0.07 0.00 -0.02 0.00 0.00 57.16 57.60 1xxw n GLU 56 Cb 0.58 -1.77 0.43 0.00 -0.02 0.00 0.00 31.44 30.65 1xxw n GLU 56 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1xxw h LYS 57 N 0.00 0.00 -6.66 3.49 1.57 -0.92 -3.43 116.57 110.62 1xxw h LYS 57 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1xxw h LYS 57 Cb 0.45 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.80 1xxw h LYS 57 CO 0.00 0.31 0.80 0.42 -0.57 0.00 0.00 179.45 180.41 1xxw s ILE 58 N -3.80 2.76 -0.38 1.86 1.01 -1.00 -4.86 121.20 116.79 1xxw s ILE 58 Ca -0.01 0.58 -0.42 0.00 0.00 0.00 0.00 60.65 60.80 1xxw s ILE 58 Cb 0.12 -3.37 -0.17 0.00 0.01 0.00 0.00 42.46 39.04 1xxw s ILE 58 CO 0.67 0.07 1.76 -0.24 0.00 0.00 0.00 174.94 177.20 1xxw n SER 59 N 3.23 1.84 -1.32 3.58 2.88 -1.26 -1.56 113.62 121.01 1xxw n SER 59 Ca 0.10 1.04 -0.16 0.00 -1.33 0.00 0.00 58.87 58.51 1xxw n SER 59 Cb 0.40 -1.04 -0.07 0.00 -0.75 0.00 0.00 64.21 62.75 1xxw n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xxw n GLY 60 N 4.58 1.56 3.61 0.46 0.00 -1.26 -4.93 105.19 109.21 1xxw n GLY 60 Ca 0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 1xxw n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxw s ASN 62 N 2.15 6.13 0.30 0.00 -0.87 -1.26 -4.62 114.94 116.78 1xxw s ASN 62 Ca 0.45 -2.94 0.03 0.00 -1.57 0.00 0.00 52.86 48.84 1xxw s ASN 62 Cb -0.09 -2.04 0.77 0.00 -0.02 0.00 0.00 41.25 39.86 1xxw s ASN 62 CO 0.25 -0.43 1.62 -0.65 -2.57 0.00 0.00 177.10 175.32 1xxw h PRO 63 N 7.21 0.12 -0.79 -0.60 0.11 -1.93 0.14 132.00 136.26 1xxw h PRO 63 Ca 0.07 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 1xxw h PRO 63 Cb 0.97 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.02 1xxw h PRO 63 CO 0.76 0.08 0.32 0.00 -0.21 0.00 0.00 178.00 178.96 1xxw h ARG 64 N 0.12 1.17 0.00 1.05 2.47 -1.94 0.11 114.38 117.37 1xxw h ARG 64 Ca 0.59 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 59.10 1xxw h ARG 64 Cb 1.23 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 1xxw h ARG 64 CO -0.75 0.94 -0.92 1.19 0.56 0.00 0.00 179.97 181.00 1xxw n PHE 65 N -4.28 0.00 -2.01 3.04 3.01 -0.47 -0.19 117.46 116.55 1xxw n PHE 65 Ca 0.07 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.11 1xxw n PHE 65 Cb 0.18 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.60 1xxw n PHE 65 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1xxw s ARG 66 N -2.78 4.21 -0.39 -1.08 6.06 0.38 -4.39 118.95 120.96 1xxw s ARG 66 Ca 0.06 2.21 -0.19 0.00 -2.50 0.00 0.00 55.73 55.32 1xxw s ARG 66 Cb 0.14 -3.72 0.01 0.00 0.06 0.00 0.00 34.95 31.44 1xxw s ARG 66 CO 0.77 -0.74 0.55 0.99 -2.50 0.00 0.00 175.30 174.37 1xxw s THR 67 N 3.05 4.96 0.55 4.11 2.01 -1.26 0.10 115.64 129.16 1xxw s THR 67 Ca 0.72 0.20 0.09 0.00 0.31 0.00 0.00 61.69 63.01 1xxw s THR 67 Cb -0.36 -4.05 0.09 0.00 0.01 0.00 0.00 72.50 68.19 1xxw s THR 67 CO 0.30 -0.36 0.74 0.00 -0.69 0.00 0.00 174.62 174.61 1xxw n TYR 68 N 5.90 -2.24 -4.96 4.92 0.18 -1.26 -4.97 117.16 114.73 1xxw n TYR 68 Ca -0.04 -2.02 -0.33 0.00 1.88 0.00 0.00 57.90 57.40 1xxw n TYR 68 Cb 0.48 -0.52 -0.15 0.00 -0.38 0.00 0.00 39.34 38.77 1xxw n TYR 68 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1xxw s SER 69 N -4.38 3.64 0.34 9.48 0.15 -1.26 -5.11 113.70 116.55 1xxw s SER 69 Ca 0.56 -0.42 -0.18 0.00 0.70 0.00 0.00 55.95 56.61 1xxw s SER 69 Cb -0.04 -1.52 0.05 0.00 -1.71 0.00 0.00 66.02 62.79 1xxw s SER 69 CO 0.36 0.16 0.81 -0.72 1.20 0.00 0.00 173.24 175.05 1xxw s TYR 70 N 0.34 0.05 -0.13 3.44 1.13 -1.26 -1.93 117.35 118.98 1xxw s TYR 70 Ca -0.14 -0.65 -0.11 0.00 -1.41 0.00 0.00 57.07 54.76 1xxw s TYR 70 Cb -0.17 0.80 0.04 0.00 -1.10 0.00 0.00 41.96 41.52 1xxw s TYR 70 CO 0.07 -1.42 0.34 -1.83 -2.51 0.00 0.00 175.55 170.21 1xxw s GLU 71 N -2.61 0.39 -0.33 -3.49 -1.05 -0.67 -4.90 118.70 106.05 1xxw s GLU 71 Ca 0.15 0.50 -0.06 0.00 -0.15 0.00 0.00 54.97 55.42 1xxw s GLU 71 Cb -0.05 0.16 0.04 0.00 -0.44 0.00 0.00 34.13 33.84 1xxw s GLU 71 CO 0.10 -0.06 0.09 0.00 0.95 0.00 0.00 175.26 176.33 1xxw s THR 73 N 1.40 2.03 -1.05 0.00 2.01 -0.60 -4.83 115.64 114.61 1xxw s THR 73 Ca -0.01 -1.41 -0.18 0.00 0.31 0.00 0.00 61.69 60.40 1xxw s THR 73 Cb -0.19 -2.10 0.01 0.00 0.01 0.00 0.00 72.50 70.23 1xxw s THR 73 CO 0.02 0.09 0.71 0.00 -0.69 0.00 0.00 174.62 174.75 1xxw n ALA 74 N 4.51 -2.63 0.00 7.40 0.00 -1.26 -1.16 120.51 127.38 1xxw n ALA 74 Ca -0.15 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1xxw n ALA 74 Cb 0.44 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.26 1xxw n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xxw n GLY 75 N -1.80 2.54 3.69 0.00 0.00 -1.26 -4.98 105.19 103.38 1xxw n GLY 75 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1xxw n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xxw s THR 76 N -0.88 4.98 -0.16 2.61 2.01 -0.31 -4.63 115.64 119.26 1xxw s THR 76 Ca 0.00 1.49 -0.10 0.00 0.31 0.00 0.00 61.69 63.39 1xxw s THR 76 Cb 0.00 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 1xxw s THR 76 CO 0.00 0.15 0.18 -0.76 -0.69 0.00 0.00 174.62 173.50 1xxw s LEU 77 N 1.44 4.29 -0.05 4.42 1.43 -1.26 -1.56 118.68 127.39 1xxw s LEU 77 Ca 0.37 0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.85 1xxw s LEU 77 Cb -0.17 -2.16 0.03 0.00 0.03 0.00 0.00 46.19 43.92 1xxw s LEU 77 CO 0.15 0.24 0.08 -0.89 0.23 0.00 0.00 176.35 176.17 1xxw s THR 78 N -0.12 -0.11 -0.17 5.49 2.01 -0.97 -5.02 115.64 116.75 1xxw s THR 78 Ca 0.13 0.31 -0.21 0.00 0.31 0.00 0.00 61.69 62.22 1xxw s THR 78 Cb -0.12 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 1xxw s THR 78 CO 0.02 0.13 0.64 0.00 -0.69 0.00 0.00 174.62 174.71 1xxw s THR 80 N 1.61 3.65 0.05 0.00 -4.23 -0.82 -4.98 115.64 110.93 1xxw s THR 80 Ca 0.30 0.53 0.20 0.00 -1.18 0.00 0.00 61.69 61.54 1xxw s THR 80 Cb -0.16 -3.53 0.15 0.00 1.34 0.00 0.00 72.50 70.30 1xxw s THR 80 CO 0.12 -0.70 1.68 1.23 -0.54 0.00 0.00 174.62 176.41 1xxw h GLY 81 N -0.60 0.00 0.64 3.99 0.00 -1.96 -3.31 103.07 101.83 1xxw h GLY 81 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1xxw h GLY 81 CO 0.64 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.22 1xxw n ARG 82 N -3.38 0.07 -2.35 4.80 -4.01 -1.26 -4.68 116.66 105.84 1xxw n ARG 82 Ca 0.01 0.00 -0.30 0.00 -1.04 0.00 0.00 57.85 56.52 1xxw n ARG 82 Cb 0.55 -1.32 -0.01 0.00 -3.04 0.00 0.00 32.46 28.64 1xxw n ARG 82 CO 0.00 0.00 0.00 -0.80 -3.04 0.00 0.00 177.63 173.79 1xxw s ASN 83 N -1.98 6.36 0.32 2.89 0.01 -1.25 -5.00 114.94 116.30 1xxw s ASN 83 Ca 0.02 1.25 0.05 0.00 -0.71 0.00 0.00 52.86 53.47 1xxw s ASN 83 Cb 0.01 -2.39 0.05 0.00 0.41 0.00 0.00 41.25 39.33 1xxw s ASN 83 CO 0.02 -0.66 0.43 -0.46 -1.51 0.00 0.00 177.10 174.92 1xxw n ASN 84 N -2.16 1.26 -0.23 -1.22 0.23 -1.26 -4.77 115.26 107.11 1xxw n ASN 84 Ca 0.04 -1.88 -0.09 0.00 -0.53 0.00 0.00 54.58 52.12 1xxw n ASN 84 Cb 0.54 -0.22 -0.05 0.00 -2.08 0.00 0.00 39.78 37.98 1xxw n ASN 84 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xxw h ALA 85 N 0.32 -0.39 0.60 -2.53 0.00 -1.98 0.68 119.26 115.97 1xxw h ALA 85 Ca -0.16 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1xxw h ALA 85 Cb 0.70 1.04 0.01 0.00 0.00 0.00 0.00 17.79 19.53 1xxw h ALA 85 CO 0.23 -0.87 -0.29 0.00 0.00 0.00 0.00 179.25 178.32 1xxw h ALA 87 N -0.59 1.42 -0.27 0.00 0.00 -1.90 -1.55 119.26 116.37 1xxw h ALA 87 Ca -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xxw h ALA 87 Cb 0.66 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xxw h ALA 87 CO 0.14 0.34 0.12 0.00 0.00 0.00 0.00 179.25 179.85 1xxw h ALA 88 N 1.48 0.35 0.16 0.00 0.00 -0.80 0.05 119.26 120.50 1xxw h ALA 88 Ca 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1xxw h ALA 88 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xxw h ALA 88 CO -0.21 -0.08 -0.08 0.77 0.00 0.00 0.00 179.25 179.65 1xxw h SER 89 N 0.30 -0.18 -0.65 0.00 0.02 -0.83 -2.56 113.55 109.66 1xxw h SER 89 Ca 0.09 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1xxw h SER 89 Cb 0.14 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1xxw h SER 89 CO -0.01 -0.02 0.38 0.58 -1.14 0.00 0.00 176.83 176.62 1xxw h VAL 90 N -0.34 1.19 -0.97 2.27 2.07 -1.26 -2.32 116.25 116.90 1xxw h VAL 90 Ca -0.02 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.11 1xxw h VAL 90 Cb 0.26 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 1xxw h VAL 90 CO 0.04 0.20 0.63 0.00 0.02 0.00 0.00 177.57 178.46 1xxw h ASP 92 N 1.15 0.74 0.58 0.00 3.58 -1.00 -0.75 116.42 120.72 1xxw h ASP 92 Ca 0.41 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 1xxw h ASP 92 Cb 0.13 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.98 1xxw h ASP 92 CO -0.15 0.93 -0.31 0.00 -2.88 0.00 0.00 179.24 176.83 1xxw h ASP 94 N -0.82 0.30 -0.52 0.00 3.32 -1.40 -1.25 116.42 116.06 1xxw h ASP 94 Ca -0.08 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.07 1xxw h ASP 94 Cb 0.64 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.07 1xxw h ASP 94 CO 0.11 0.22 0.11 -0.09 -1.72 0.00 0.00 179.24 177.87 1xxw h ARG 95 N 0.40 0.24 0.00 3.56 2.43 -1.02 -0.53 114.38 119.46 1xxw h ARG 95 Ca 0.15 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 1xxw h ARG 95 Cb 0.03 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1xxw h ARG 95 CO -0.08 0.16 -0.40 -0.07 -1.51 0.00 0.00 179.97 178.06 1xxw h LEU 96 N 0.25 0.00 -0.02 3.80 3.38 -0.70 -2.98 115.31 119.03 1xxw h LEU 96 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1xxw h LEU 96 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1xxw h LEU 96 CO -0.33 0.40 -0.02 0.00 0.09 0.00 0.00 178.44 178.58 1xxw h ALA 97 N 1.60 0.03 -0.93 1.53 0.00 -0.07 -1.70 119.26 119.72 1xxw h ALA 97 Ca -0.00 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 54.78 1xxw h ALA 97 Cb 0.89 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1xxw h ALA 97 CO 0.05 -0.20 0.60 0.00 0.00 0.00 0.00 179.25 179.69 1xxw h ALA 98 N 0.53 1.68 -0.25 0.00 0.00 -1.12 0.46 119.26 120.56 1xxw h ALA 98 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1xxw h ALA 98 Cb 0.51 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xxw h ALA 98 CO 0.01 0.09 -0.28 0.82 0.00 0.00 0.00 179.25 179.88 1xxw h ILE 99 N 0.84 1.31 -0.22 0.00 2.04 -1.47 -1.48 117.51 118.54 1xxw h ILE 99 Ca 0.46 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 1xxw h ILE 99 Cb 0.58 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1xxw h ILE 99 CO -0.22 0.46 0.04 0.00 0.00 0.00 0.00 178.15 178.43 1xxw h PHE 101 N 0.31 -0.47 0.00 0.00 -1.00 0.11 -2.63 116.94 113.25 1xxw h PHE 101 Ca 0.08 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1xxw h PHE 101 Cb 0.14 0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.86 1xxw h PHE 101 CO 0.00 -0.15 0.00 0.00 -1.61 0.00 0.00 178.31 176.55 1xxw n ALA 102 N -2.59 1.04 -0.02 2.45 0.00 -0.58 -1.52 120.51 119.29 1xxw n ALA 102 Ca -0.09 0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.49 1xxw n ALA 102 Cb 0.28 -1.14 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 1xxw n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xxw n GLY 103 N -1.37 -1.04 3.89 0.00 0.00 -0.72 -4.97 105.19 100.97 1xxw n GLY 103 Ca -0.00 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1xxw n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxw s ALA 104 N -3.24 3.80 0.35 4.61 0.00 -0.58 -5.09 121.76 121.62 1xxw s ALA 104 Ca -0.08 -0.55 -0.26 0.00 0.00 0.00 0.00 51.96 51.07 1xxw s ALA 104 Cb 0.12 -2.12 -0.09 0.00 0.00 0.00 0.00 23.12 21.02 1xxw s ALA 104 CO 0.88 0.66 1.05 -2.14 0.00 0.00 0.00 175.76 176.21 1xxw s PRO 105 N -2.43 4.37 -0.44 0.00 0.02 -1.26 -4.95 135.00 130.31 1xxw s PRO 105 Ca 0.38 1.58 -0.17 0.00 0.02 0.00 0.00 61.00 62.81 1xxw s PRO 105 Cb -0.13 -2.79 0.04 0.00 0.02 0.00 0.00 34.50 31.64 1xxw s PRO 105 CO 0.23 0.03 0.44 -0.47 -0.33 0.00 0.00 177.00 176.90 1xxw s TYR 106 N -1.49 3.18 -0.60 6.54 5.04 -1.26 -4.67 117.35 124.08 1xxw s TYR 106 Ca 0.52 -0.54 -0.20 0.00 -2.44 0.00 0.00 57.07 54.41 1xxw s TYR 106 Cb -0.25 -3.00 0.09 0.00 0.35 0.00 0.00 41.96 39.15 1xxw s TYR 106 CO 0.31 -0.76 0.76 1.21 -1.34 0.00 0.00 175.55 175.74 1xxw s ASN 107 N 2.08 6.18 0.53 4.32 3.84 -1.26 -4.94 114.94 125.69 1xxw s ASN 107 Ca 0.10 -1.30 0.30 0.00 0.21 0.00 0.00 52.86 52.17 1xxw s ASN 107 Cb -0.19 -2.33 1.45 0.00 -0.55 0.00 0.00 41.25 39.63 1xxw s ASN 107 CO 0.11 -1.18 1.90 0.44 -2.79 0.00 0.00 177.10 175.58 1xxw h ASP 108 N 9.27 0.02 0.35 -4.21 5.19 -1.98 0.23 116.42 125.29 1xxw h ASP 108 Ca -0.29 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 1xxw h ASP 108 Cb 1.08 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.59 1xxw h ASP 108 CO 1.11 0.01 0.00 0.59 -3.12 0.00 0.00 179.24 177.83 1xxw n ASN 109 N -4.29 0.58 -0.26 6.45 3.02 -1.26 -2.15 115.26 117.34 1xxw n ASN 109 Ca 0.17 0.70 0.11 0.00 -0.03 0.00 0.00 54.58 55.54 1xxw n ASN 109 Cb 0.91 -0.80 0.07 0.00 -0.61 0.00 0.00 39.78 39.34 1xxw n ASN 109 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xxw n ASN 110 N -2.20 1.40 -4.76 6.41 4.13 0.81 -4.86 115.26 116.18 1xxw n ASN 110 Ca 0.00 -1.12 -0.36 0.00 1.68 0.00 0.00 54.58 54.78 1xxw n ASN 110 Cb 0.13 0.53 0.01 0.00 -1.54 0.00 0.00 39.78 38.91 1xxw n ASN 110 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1xxw s TYR 111 N -2.68 2.58 -1.25 3.10 5.04 -0.91 -1.68 117.35 121.56 1xxw s TYR 111 Ca 0.16 1.51 -0.33 0.00 -2.44 0.00 0.00 57.07 55.97 1xxw s TYR 111 Cb 0.18 -3.46 0.05 0.00 0.35 0.00 0.00 41.96 39.07 1xxw s TYR 111 CO 0.66 -1.97 0.63 -1.71 -1.34 0.00 0.00 175.55 171.82 1xxw n ASN 112 N -1.09 -3.70 -4.97 4.32 2.85 -0.68 -4.90 115.26 107.08 1xxw n ASN 112 Ca 0.11 -1.31 -0.21 0.00 -0.11 0.00 0.00 54.58 53.06 1xxw n ASN 112 Cb 0.49 -1.61 0.03 0.00 1.24 0.00 0.00 39.78 39.93 1xxw n ASN 112 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1xxw s ILE 113 N -3.60 2.91 -0.71 -1.44 -4.36 -1.26 -5.00 121.20 107.74 1xxw s ILE 113 Ca 0.46 -0.69 -0.24 0.00 -0.26 0.00 0.00 60.65 59.93 1xxw s ILE 113 Cb -0.26 -3.07 0.06 0.00 1.25 0.00 0.00 42.46 40.44 1xxw s ILE 113 CO 0.98 -0.05 1.07 -0.62 0.24 0.00 0.00 174.94 176.57 1xxw s ASP 114 N -4.39 6.20 0.47 4.36 2.15 -1.26 -4.83 116.67 119.37 1xxw s ASP 114 Ca 0.56 -0.90 0.21 0.00 0.43 0.00 0.00 52.55 52.84 1xxw s ASP 114 Cb -0.10 -2.46 1.21 0.00 -0.30 0.00 0.00 42.92 41.27 1xxw s ASP 114 CO 0.38 -1.54 1.91 -0.07 -0.17 0.00 0.00 175.17 175.68 1xxw h LEU 115 N 11.82 0.24 -0.97 -1.34 3.38 -1.94 0.14 115.31 126.64 1xxw h LEU 115 Ca -0.25 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1xxw h LEU 115 Cb 1.06 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1xxw h LEU 115 CO 1.21 0.11 0.38 -0.61 0.09 0.00 0.00 178.44 179.62 1xxw h GLN 116 N 0.25 1.12 -1.88 1.13 4.15 -1.96 -2.08 115.11 115.84 1xxw h GLN 116 Ca 0.38 -0.16 -0.60 0.00 0.77 0.00 0.00 58.65 59.04 1xxw h GLN 116 Cb 1.12 -0.21 -0.41 0.00 0.21 0.00 0.00 27.48 28.20 1xxw h GLN 116 CO -0.09 0.86 -0.58 0.00 -1.93 0.00 0.00 178.83 177.08 1xxw n ALA 117 N -2.43 4.99 0.00 3.38 0.00 0.45 -4.58 120.51 122.31 1xxw n ALA 117 Ca 0.08 -4.49 0.00 0.00 0.00 0.00 0.00 53.44 49.03 1xxw n ALA 117 Cb 0.13 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1xxw n ALA 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xxw n ARG 118 N -0.38 0.00 -0.18 0.00 5.12 -0.95 -4.82 116.66 115.46 1xxw n ARG 118 Ca 0.36 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.37 1xxw n ARG 118 Cb 0.52 0.00 0.16 0.00 -1.16 0.00 0.00 32.46 31.98 1xxw n ARG 118 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70