#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nbw n PRO 6 N 0.00 1.20 -3.73 0.54 -0.02 -1.26 -4.99 135.00 126.74 1nbw n PRO 6 Ca 0.00 0.43 0.01 0.00 -2.02 0.00 0.00 63.50 61.92 1nbw n PRO 6 Cb 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1nbw n PRO 6 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1nbw s GLY 7 N -0.82 -0.30 0.08 -1.23 0.00 -1.26 -4.62 107.32 99.17 1nbw s GLY 7 Ca 0.65 0.42 -0.30 0.00 0.00 0.00 0.00 44.72 45.48 1nbw s GLY 7 CO 0.56 1.46 1.07 0.14 0.00 0.00 0.00 173.10 176.32 1nbw s VAL 8 N -2.40 4.35 -0.09 1.40 1.01 -0.38 -4.37 120.40 119.92 1nbw s VAL 8 Ca 0.18 1.79 -0.13 0.00 0.00 0.00 0.00 61.98 63.82 1nbw s VAL 8 Cb 0.03 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1nbw s VAL 8 CO -0.02 0.20 0.31 -0.13 0.00 0.00 0.00 175.10 175.46 1nbw s ARG 9 N 0.55 3.96 -0.33 2.72 3.00 -1.20 -0.96 118.95 126.69 1nbw s ARG 9 Ca 0.53 0.18 0.01 0.00 0.00 0.00 0.00 55.73 56.44 1nbw s ARG 9 Cb -0.26 -3.30 0.08 0.00 0.00 0.00 0.00 34.95 31.48 1nbw s ARG 9 CO 0.30 0.52 0.03 -1.17 0.00 0.00 0.00 175.30 174.99 1nbw s LEU 10 N -0.43 4.38 -0.18 2.53 0.20 -0.90 -0.97 118.68 123.32 1nbw s LEU 10 Ca 0.19 -1.76 -0.19 0.00 0.69 0.00 0.00 54.13 53.06 1nbw s LEU 10 Cb -0.14 -1.67 -0.03 0.00 -0.43 0.00 0.00 46.19 43.91 1nbw s LEU 10 CO 0.08 -0.34 0.55 -0.36 -0.29 0.00 0.00 176.35 175.98 1nbw s PHE 11 N 1.07 3.41 0.01 5.38 0.40 0.17 -0.17 117.98 128.25 1nbw s PHE 11 Ca 0.02 0.85 0.03 0.00 -0.60 0.00 0.00 56.93 57.24 1nbw s PHE 11 Cb -0.20 -2.69 -0.01 0.00 0.51 0.00 0.00 43.02 40.63 1nbw s PHE 11 CO -0.05 -0.06 -0.10 1.52 0.70 0.00 0.00 175.22 177.23 1nbw s TYR 12 N 1.48 0.87 -0.29 0.36 -0.85 -0.94 -0.50 117.35 117.48 1nbw s TYR 12 Ca 0.26 -0.25 -0.29 0.00 -0.52 0.00 0.00 57.07 56.27 1nbw s TYR 12 Cb -0.16 -0.54 0.01 0.00 0.38 0.00 0.00 41.96 41.65 1nbw s TYR 12 CO 0.10 -0.01 1.17 0.34 -1.52 0.00 0.00 175.55 175.63 1nbw s ASP 13 N -0.63 6.86 0.00 -0.18 3.68 -0.34 -1.89 116.67 124.17 1nbw s ASP 13 Ca 0.01 1.20 0.09 0.00 2.13 0.00 0.00 52.55 55.98 1nbw s ASP 13 Cb -0.05 -2.54 0.40 0.00 -1.45 0.00 0.00 42.92 39.28 1nbw s ASP 13 CO 0.00 -0.91 1.27 -0.81 0.13 0.00 0.00 175.17 174.85 1nbw n PRO 14 N 6.94 0.02 0.17 4.34 -0.04 -1.26 -1.83 135.00 143.34 1nbw n PRO 14 Ca 0.13 0.32 0.02 0.00 -0.04 0.00 0.00 63.50 63.93 1nbw n PRO 14 Cb 0.47 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.71 1nbw n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nbw h ARG 15 N 0.00 0.00 -6.86 0.54 3.08 -1.94 -3.42 114.38 105.78 1nbw h ARG 15 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1nbw h ARG 15 Cb 0.15 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.21 1nbw h ARG 15 CO 0.00 0.47 0.10 0.20 -1.07 0.00 0.00 179.97 179.67 1nbw s GLY 16 N -4.38 1.77 -0.49 0.04 0.00 -0.76 -5.00 107.32 98.50 1nbw s GLY 16 Ca -0.02 -0.34 0.07 0.00 0.00 0.00 0.00 44.72 44.43 1nbw s GLY 16 CO 0.73 -0.16 0.58 1.42 0.00 0.00 0.00 173.10 175.66 1nbw n HIS 17 N -1.65 1.02 -2.72 1.90 8.25 -1.26 -4.94 115.22 115.82 1nbw n HIS 17 Ca 0.01 -3.76 -0.31 0.00 -0.26 0.00 0.00 57.72 53.40 1nbw n HIS 17 Cb 0.54 -0.38 -0.01 0.00 1.12 0.00 0.00 29.99 31.26 1nbw n HIS 17 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1nbw n HIS 18 N 1.38 3.58 0.11 4.41 8.25 -1.26 -4.82 115.22 126.87 1nbw n HIS 18 Ca 0.25 -3.40 0.13 0.00 -0.26 0.00 0.00 57.72 54.44 1nbw n HIS 18 Cb 0.48 -0.64 0.64 0.00 1.12 0.00 0.00 29.99 31.59 1nbw n HIS 18 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nbw h ALA 19 N 3.20 2.19 0.07 -1.41 0.00 -2.00 -2.34 119.26 118.98 1nbw h ALA 19 Ca 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1nbw h ALA 19 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1nbw h ALA 19 CO 0.95 -0.27 -0.03 0.78 0.00 0.00 0.00 179.25 180.68 1nbw h GLY 20 N 0.06 -0.09 0.90 0.00 0.00 -2.00 -1.39 103.07 100.55 1nbw h GLY 20 Ca 0.14 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.53 1nbw h GLY 20 CO -0.01 -0.03 0.49 0.00 0.00 0.00 0.00 176.54 176.99 1nbw h ALA 21 N 0.70 1.00 -0.85 3.60 0.00 -1.79 -1.60 119.26 120.33 1nbw h ALA 21 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nbw h ALA 21 Cb 0.19 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1nbw h ALA 21 CO 0.01 0.32 0.55 0.82 0.00 0.00 0.00 179.25 180.95 1nbw h ILE 22 N 0.97 1.17 -0.33 0.00 2.04 -1.26 -0.43 117.51 119.68 1nbw h ILE 22 Ca 0.30 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1nbw h ILE 22 Cb -0.02 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.02 1nbw h ILE 22 CO -0.10 0.20 0.09 0.78 0.00 0.00 0.00 178.15 179.12 1nbw h ASN 23 N 1.10 0.49 -0.47 1.72 2.35 -0.39 -1.20 115.58 119.18 1nbw h ASN 23 Ca 0.33 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1nbw h ASN 23 Cb -0.05 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1nbw h ASN 23 CO -0.10 0.58 0.15 -0.33 -1.65 0.00 0.00 177.43 176.09 1nbw h GLU 24 N 0.37 0.72 0.67 0.81 4.39 -0.99 -0.23 114.58 120.32 1nbw h GLU 24 Ca 0.10 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1nbw h GLU 24 Cb 0.28 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1nbw h GLU 24 CO -0.00 0.68 -0.43 -0.07 -1.16 0.00 0.00 179.01 178.03 1nbw h LEU 25 N 0.62 -1.08 -1.71 1.33 3.38 -0.99 -1.35 115.31 115.50 1nbw h LEU 25 Ca 0.15 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.25 1nbw h LEU 25 Cb 0.26 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1nbw h LEU 25 CO -0.01 -0.65 0.32 0.00 0.09 0.00 0.00 178.44 178.19 1nbw h TRP 27 N 0.36 0.56 -0.87 0.00 6.55 -0.67 -1.47 115.95 120.42 1nbw h TRP 27 Ca 0.21 -0.18 -0.01 0.00 0.95 0.00 0.00 58.89 59.86 1nbw h TRP 27 Cb 0.36 -0.11 -0.04 0.00 -0.86 0.00 0.00 29.16 28.51 1nbw h TRP 27 CO -0.00 0.86 0.52 0.78 -1.05 0.00 0.00 178.44 179.55 1nbw h GLY 28 N 1.15 1.26 1.28 1.49 0.00 -0.07 -0.31 103.07 107.88 1nbw h GLY 28 Ca 0.02 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 1nbw h GLY 28 CO 0.09 0.51 -0.22 1.41 0.00 0.00 0.00 176.54 178.33 1nbw h LEU 29 N 1.19 0.84 -0.73 3.11 3.38 -1.23 -3.14 115.31 118.73 1nbw h LEU 29 Ca 0.31 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1nbw h LEU 29 Cb -0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1nbw h LEU 29 CO -0.06 1.03 0.04 -0.08 0.09 0.00 0.00 178.44 179.47 1nbw h GLU 30 N 0.72 1.02 0.00 1.13 4.81 -0.56 -0.99 114.58 120.71 1nbw h GLU 30 Ca 0.10 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1nbw h GLU 30 Cb 0.75 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1nbw h GLU 30 CO 0.06 0.97 -0.09 1.49 -0.73 0.00 0.00 179.01 180.71 1nbw h GLU 31 N 0.94 0.00 -0.42 1.92 4.57 -1.04 -0.54 114.58 120.01 1nbw h GLU 31 Ca 0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1nbw h GLU 31 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1nbw h GLU 31 CO 0.02 0.09 0.00 1.04 -1.18 0.00 0.00 179.01 178.98 1nbw n GLN 32 N -4.05 2.08 -1.29 1.92 1.13 -0.74 -4.93 117.38 111.50 1nbw n GLN 32 Ca -0.03 -1.66 -0.10 0.00 -1.94 0.00 0.00 57.00 53.27 1nbw n GLN 32 Cb 0.17 -1.38 -0.04 0.00 0.11 0.00 0.00 30.24 29.10 1nbw n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nbw n GLY 33 N 1.26 1.14 3.42 1.08 0.00 -0.21 -5.02 105.19 106.85 1nbw n GLY 33 Ca 0.16 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 1nbw n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nbw s VAL 34 N -2.36 3.15 0.56 1.61 1.01 -0.45 -5.00 120.40 118.91 1nbw s VAL 34 Ca 0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.12 1nbw s VAL 34 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1nbw s VAL 34 CO 0.00 0.54 1.33 -2.84 0.00 0.00 0.00 175.10 174.13 1nbw s PRO 35 N 0.02 3.06 -0.21 2.72 0.02 -1.26 -3.64 135.00 135.71 1nbw s PRO 35 Ca -0.04 2.16 -0.01 0.00 0.02 0.00 0.00 61.00 63.13 1nbw s PRO 35 Cb -0.14 -2.17 0.06 0.00 0.02 0.00 0.00 34.50 32.26 1nbw s PRO 35 CO 0.04 -1.23 -0.01 0.00 -0.33 0.00 0.00 177.00 175.47 1nbw s GLN 37 N 1.67 2.00 0.16 0.00 -0.21 -0.14 -4.97 119.66 118.17 1nbw s GLN 37 Ca -0.03 -1.70 -0.31 0.00 0.02 0.00 0.00 55.36 53.35 1nbw s GLN 37 Cb -0.18 -3.41 -0.08 0.00 1.00 0.00 0.00 33.01 30.35 1nbw s GLN 37 CO -0.07 -0.94 1.32 0.95 -2.12 0.00 0.00 175.29 174.44 1nbw s THR 38 N 1.12 3.32 -0.09 -0.19 -4.23 -1.26 -2.11 115.64 112.20 1nbw s THR 38 Ca 0.05 1.03 0.01 0.00 -1.18 0.00 0.00 61.69 61.60 1nbw s THR 38 Cb -0.21 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 69.99 1nbw s THR 38 CO -0.04 0.12 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.44 1nbw s ILE 39 N 0.53 1.01 -0.03 2.99 1.01 0.76 -4.90 121.20 122.57 1nbw s ILE 39 Ca 0.59 -0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.61 1nbw s ILE 39 Cb -0.36 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1nbw s ILE 39 CO 0.35 0.35 1.32 -0.89 0.00 0.00 0.00 174.94 176.07 1nbw s THR 40 N 1.30 3.94 -0.43 2.92 2.01 -1.26 -2.20 115.64 121.90 1nbw s THR 40 Ca -0.03 1.29 0.04 0.00 0.31 0.00 0.00 61.69 63.30 1nbw s THR 40 Cb -0.14 -3.83 0.12 0.00 0.01 0.00 0.00 72.50 68.66 1nbw s THR 40 CO -0.03 -0.01 0.17 -0.47 -0.69 0.00 0.00 174.62 173.58 1nbw s TYR 41 N 2.38 3.33 -0.82 4.92 5.04 -0.80 -4.92 117.35 126.48 1nbw s TYR 41 Ca 0.61 -3.03 -0.26 0.00 -2.44 0.00 0.00 57.07 51.95 1nbw s TYR 41 Cb -0.28 -2.79 0.04 0.00 0.35 0.00 0.00 41.96 39.27 1nbw s TYR 41 CO 0.24 -0.83 1.32 0.34 -1.34 0.00 0.00 175.55 175.28 1nbw s ASP 42 N 0.29 6.26 0.00 4.32 3.68 -1.26 -2.88 116.67 127.08 1nbw s ASP 42 Ca 0.14 -0.76 0.00 0.00 2.13 0.00 0.00 52.55 54.06 1nbw s ASP 42 Cb -0.23 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 38.69 1nbw s ASP 42 CO -0.04 -1.73 0.00 0.61 0.13 0.00 0.00 175.17 174.14 1nbw n GLY 43 N 5.81 0.09 2.23 2.66 0.00 -1.26 -5.13 105.19 109.58 1nbw n GLY 43 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1nbw n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nbw n GLY 44 N 0.00 0.00 0.00 -0.02 0.00 -1.14 -5.06 105.19 98.97 1nbw n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nbw n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nbw n GLY 45 N -0.17 -1.10 2.13 -0.02 0.00 -1.26 -4.99 105.19 99.79 1nbw n GLY 45 Ca 0.00 -1.00 -0.19 0.00 0.00 0.00 0.00 46.02 44.83 1nbw n GLY 45 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nbw n ASP 46 N 1.23 -2.11 0.05 1.61 5.68 -1.26 -4.70 116.55 117.06 1nbw n ASP 46 Ca 0.00 -0.82 -0.13 0.00 -0.50 0.00 0.00 54.79 53.34 1nbw n ASP 46 Cb 0.00 -0.62 -0.09 0.00 -1.14 0.00 0.00 41.12 39.27 1nbw n ASP 46 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nbw h ALA 47 N -2.61 -0.15 -0.78 2.12 0.00 -1.88 -3.08 119.26 112.88 1nbw h ALA 47 Ca -0.25 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.59 1nbw h ALA 47 Cb 0.79 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.51 1nbw h ALA 47 CO 0.16 -0.39 -0.34 0.00 0.00 0.00 0.00 179.25 178.68 1nbw h ALA 48 N 0.25 0.10 -0.98 0.00 0.00 -1.89 0.36 119.26 117.10 1nbw h ALA 48 Ca -0.02 0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1nbw h ALA 48 Cb 0.45 0.86 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1nbw h ALA 48 CO 0.03 -0.63 0.64 0.00 0.00 0.00 0.00 179.25 179.29 1nbw h ALA 49 N 1.23 1.41 -0.26 0.00 0.00 -1.77 0.32 119.26 120.18 1nbw h ALA 49 Ca 0.29 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 1nbw h ALA 49 Cb 0.58 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1nbw h ALA 49 CO -0.82 0.46 -0.53 -0.07 0.00 0.00 0.00 179.25 178.29 1nbw h LEU 50 N 1.18 0.85 0.60 0.00 3.38 -0.74 -1.96 115.31 118.61 1nbw h LEU 50 Ca 0.41 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1nbw h LEU 50 Cb 0.12 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.63 1nbw h LEU 50 CO -0.15 1.22 -0.29 1.23 0.09 0.00 0.00 178.44 180.54 1nbw h GLY 51 N 0.83 -0.83 -0.08 0.83 0.00 0.87 0.11 103.07 104.80 1nbw h GLY 51 Ca 0.02 0.31 0.12 0.00 0.00 0.00 0.00 47.33 47.77 1nbw h GLY 51 CO 0.11 -0.30 -0.09 0.00 0.00 0.00 0.00 176.54 176.26 1nbw h ALA 52 N -0.42 0.45 -0.43 3.60 0.00 -0.43 0.19 119.26 122.22 1nbw h ALA 52 Ca -0.08 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1nbw h ALA 52 Cb 0.62 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1nbw h ALA 52 CO 0.13 -0.42 0.10 -0.07 0.00 0.00 0.00 179.25 179.00 1nbw h LEU 53 N 0.04 0.59 -0.23 0.00 3.38 -1.15 -1.68 115.31 116.25 1nbw h LEU 53 Ca 0.28 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1nbw h LEU 53 Cb 0.44 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1nbw h LEU 53 CO -0.55 0.59 -0.17 0.00 0.09 0.00 0.00 178.44 178.40 1nbw h ALA 54 N 1.49 0.33 -0.28 1.53 0.00 0.18 -2.32 119.26 120.19 1nbw h ALA 54 Ca 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1nbw h ALA 54 Cb 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1nbw h ALA 54 CO -0.00 0.24 0.14 0.00 0.00 0.00 0.00 179.25 179.63 1nbw h ALA 55 N 0.69 0.36 0.00 0.00 0.00 -0.50 -0.53 119.26 119.27 1nbw h ALA 55 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nbw h ALA 55 Cb 0.70 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1nbw h ALA 55 CO 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.20 1nbw h ARG 56 N 0.33 0.00 0.00 0.00 3.08 -1.36 -2.45 114.38 113.98 1nbw h ARG 56 Ca 0.10 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.90 1nbw h ARG 56 Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1nbw h ARG 56 CO -0.01 0.00 -1.37 1.03 -1.07 0.00 0.00 179.97 178.55 1nbw h SER 57 N 0.00 0.00 -3.37 7.04 0.87 -1.01 -3.46 113.55 113.61 1nbw h SER 57 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 1nbw h SER 57 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1nbw h SER 57 CO 0.00 0.95 0.45 -0.55 -0.53 0.00 0.00 176.83 177.15 1nbw s SER 58 N -6.32 7.27 0.48 6.23 0.15 -0.24 -4.93 113.70 116.35 1nbw s SER 58 Ca -0.02 1.86 0.18 0.00 0.70 0.00 0.00 55.95 58.67 1nbw s SER 58 Cb 0.09 -2.58 1.19 0.00 -1.71 0.00 0.00 66.02 63.01 1nbw s SER 58 CO 0.82 -0.31 2.05 1.55 1.20 0.00 0.00 173.24 178.55 1nbw h PRO 59 N 6.43 0.00 -0.01 5.44 0.13 -1.84 0.65 132.00 142.80 1nbw h PRO 59 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1nbw h PRO 59 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1nbw h PRO 59 CO 0.76 0.14 0.00 1.28 -0.23 0.00 0.00 178.00 179.95 1nbw n LEU 60 N -4.17 0.15 -0.04 1.56 4.77 -1.26 -4.89 117.00 113.12 1nbw n LEU 60 Ca -0.02 -0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 55.90 1nbw n LEU 60 Cb 0.21 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1nbw n LEU 60 CO 0.34 0.03 -0.01 0.54 -1.33 0.00 0.00 177.39 176.96 1nbw n ARG 61 N -0.84 -1.53 -5.05 3.23 5.12 0.22 -4.97 116.66 112.85 1nbw n ARG 61 Ca 0.21 0.41 -0.31 0.00 -1.93 0.00 0.00 57.85 56.23 1nbw n ARG 61 Cb 0.12 -4.57 -0.15 0.00 -1.16 0.00 0.00 32.46 26.71 1nbw n ARG 61 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1nbw s VAL 62 N -1.28 2.46 0.08 1.55 1.01 -1.25 -0.96 120.40 122.01 1nbw s VAL 62 Ca 0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 1nbw s VAL 62 Cb 0.00 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.47 1nbw s VAL 62 CO 0.00 0.52 0.30 -0.83 0.00 0.00 0.00 175.10 175.09 1nbw s GLY 63 N -0.84 -0.11 -0.04 4.51 0.00 -0.58 -3.21 107.32 107.07 1nbw s GLY 63 Ca 0.11 -0.19 0.07 0.00 0.00 0.00 0.00 44.72 44.71 1nbw s GLY 63 CO 0.01 -0.41 -0.25 -0.42 0.00 0.00 0.00 173.10 172.02 1nbw s ILE 64 N -3.32 1.99 -0.12 0.90 1.01 -0.14 -1.14 121.20 120.38 1nbw s ILE 64 Ca 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1nbw s ILE 64 Cb 0.02 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.81 1nbw s ILE 64 CO -0.08 0.56 -0.19 -0.83 0.00 0.00 0.00 174.94 174.40 1nbw s GLY 65 N -0.40 1.43 -0.33 6.18 0.00 0.33 -0.65 107.32 113.87 1nbw s GLY 65 Ca 0.04 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 43.84 1nbw s GLY 65 CO 0.01 -0.22 0.05 -2.27 0.00 0.00 0.00 173.10 170.67 1nbw s LEU 66 N 0.43 4.45 0.69 0.66 2.96 0.34 -0.27 118.68 127.94 1nbw s LEU 66 Ca -0.14 -2.06 -0.11 0.00 -0.22 0.00 0.00 54.13 51.60 1nbw s LEU 66 Cb -0.17 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 44.98 1nbw s LEU 66 CO 0.06 -0.37 1.06 -0.94 -1.32 0.00 0.00 176.35 174.84 1nbw s SER 67 N 0.98 5.42 0.25 3.68 1.04 -0.36 -1.20 113.70 123.51 1nbw s SER 67 Ca 0.10 1.61 -0.05 0.00 0.48 0.00 0.00 55.95 58.09 1nbw s SER 67 Cb -0.19 -2.49 0.29 0.00 0.10 0.00 0.00 66.02 63.73 1nbw s SER 67 CO -0.09 -1.42 1.92 0.00 0.98 0.00 0.00 173.24 174.62 1nbw h ALA 68 N -0.69 1.30 0.00 5.32 0.00 -1.84 -0.38 119.26 122.97 1nbw h ALA 68 Ca -0.44 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1nbw h ALA 68 Cb 1.21 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1nbw h ALA 68 CO 0.57 0.60 -0.01 0.66 0.00 0.00 0.00 179.25 181.08 1nbw h SER 69 N 1.31 0.00 0.00 0.00 4.64 -1.94 -3.39 113.55 114.17 1nbw h SER 69 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1nbw h SER 69 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1nbw h SER 69 CO -0.10 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.47 1nbw n GLY 70 N -0.98 1.06 3.77 -0.77 0.00 -0.15 -5.00 105.19 103.12 1nbw n GLY 70 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1nbw n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nbw s GLU 71 N -0.60 4.53 -0.06 1.61 2.02 -1.26 -1.52 118.70 123.43 1nbw s GLU 71 Ca 0.00 1.45 0.05 0.00 0.02 0.00 0.00 54.97 56.49 1nbw s GLU 71 Cb 0.00 -2.85 -0.00 0.00 0.10 0.00 0.00 34.13 31.37 1nbw s GLU 71 CO 0.00 0.21 -0.20 0.42 0.02 0.00 0.00 175.26 175.71 1nbw s ILE 72 N -1.51 1.66 -0.06 -1.63 1.01 0.45 -1.22 121.20 119.90 1nbw s ILE 72 Ca 0.50 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1nbw s ILE 72 Cb -0.22 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.83 1nbw s ILE 72 CO 0.28 0.47 -0.12 0.00 0.00 0.00 0.00 174.94 175.57 1nbw s ALA 73 N 0.09 1.20 -0.19 9.38 0.00 0.63 -0.54 121.76 132.34 1nbw s ALA 73 Ca -0.07 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 1nbw s ALA 73 Cb -0.14 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.46 1nbw s ALA 73 CO 0.04 0.12 -0.13 -1.17 0.00 0.00 0.00 175.76 174.61 1nbw s LEU 74 N 0.60 2.47 0.26 0.00 2.96 0.68 0.12 118.68 125.78 1nbw s LEU 74 Ca -0.13 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.21 1nbw s LEU 74 Cb -0.15 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 1nbw s LEU 74 CO 0.03 0.01 0.37 0.28 -1.32 0.00 0.00 176.35 175.72 1nbw s THR 75 N 1.26 0.00 -0.01 3.68 -1.32 -0.29 -1.44 115.64 117.52 1nbw s THR 75 Ca 0.03 -1.66 0.04 0.00 -1.21 0.00 0.00 61.69 58.89 1nbw s THR 75 Cb -0.14 -2.42 -0.03 0.00 -1.51 0.00 0.00 72.50 68.40 1nbw s THR 75 CO -0.07 0.00 -0.12 -2.28 -2.21 0.00 0.00 174.62 169.94 1nbw s HIS 76 N -3.77 2.74 0.39 9.09 2.46 -1.26 -1.52 115.29 123.41 1nbw s HIS 76 Ca 0.30 -0.14 0.11 0.00 0.47 0.00 0.00 55.06 55.81 1nbw s HIS 76 Cb 0.02 -1.58 0.92 0.00 -0.13 0.00 0.00 32.58 31.81 1nbw s HIS 76 CO 0.14 0.27 1.92 0.00 -2.47 0.00 0.00 174.74 174.60 1nbw h ALA 77 N 4.85 1.94 0.00 1.58 0.00 -1.30 -0.84 119.26 125.48 1nbw h ALA 77 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1nbw h ALA 77 Cb 1.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1nbw h ALA 77 CO 0.51 -0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.68 1nbw n GLN 78 N -4.50 0.05 -3.19 0.00 6.02 -1.26 -4.80 117.38 109.70 1nbw n GLN 78 Ca 0.14 0.24 -0.30 0.00 -0.01 0.00 0.00 57.00 57.07 1nbw n GLN 78 Cb 0.42 -1.59 -0.04 0.00 1.02 0.00 0.00 30.24 30.06 1nbw n GLN 78 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nbw s LEU 79 N -3.36 4.01 0.21 1.08 1.43 -0.32 -5.02 118.68 116.70 1nbw s LEU 79 Ca 0.08 0.92 -0.32 0.00 -1.03 0.00 0.00 54.13 53.77 1nbw s LEU 79 Cb 0.11 -3.74 -0.13 0.00 0.03 0.00 0.00 46.19 42.46 1nbw s LEU 79 CO 0.35 -0.24 1.57 -2.65 0.23 0.00 0.00 176.35 175.61 1nbw n PRO 80 N -0.87 2.33 0.00 1.29 -0.02 -1.26 -4.79 135.00 131.67 1nbw n PRO 80 Ca 0.00 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1nbw n PRO 80 Cb 0.54 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1nbw n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nbw n ALA 81 N 2.99 1.29 0.27 3.55 0.00 -1.26 0.28 120.51 127.63 1nbw n ALA 81 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.61 1nbw n ALA 81 Cb 0.32 -0.92 0.01 0.00 0.00 0.00 0.00 19.45 18.87 1nbw n ALA 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nbw n ASP 82 N -1.05 1.25 -3.19 0.00 8.00 -1.26 -4.43 116.55 115.88 1nbw n ASP 82 Ca 0.00 -1.13 -0.26 0.00 0.71 0.00 0.00 54.79 54.11 1nbw n ASP 82 Cb 0.01 0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 1nbw n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nbw n ALA 83 N 0.03 4.07 -1.69 2.24 0.00 0.14 -5.09 120.51 120.21 1nbw n ALA 83 Ca 0.03 -4.56 -0.44 0.00 0.00 0.00 0.00 53.44 48.48 1nbw n ALA 83 Cb 0.15 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 1nbw n ALA 83 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1nbw n PRO 84 N 0.39 2.20 -0.32 0.00 -0.02 -1.26 -4.60 135.00 131.39 1nbw n PRO 84 Ca 0.29 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 1nbw n PRO 84 Cb 0.43 -2.45 0.14 0.00 -0.02 0.00 0.00 33.50 31.59 1nbw n PRO 84 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1nbw h LEU 85 N 4.02 0.88 -7.61 2.45 6.46 -1.82 -3.44 115.31 116.25 1nbw h LEU 85 Ca -0.46 0.01 -0.15 0.00 -0.12 0.00 0.00 57.88 57.16 1nbw h LEU 85 Cb 1.27 -0.18 -0.22 0.00 -0.73 0.00 0.00 40.66 40.79 1nbw h LEU 85 CO 0.74 0.57 -0.43 0.00 -0.62 0.00 0.00 178.44 178.70 1nbw s ALA 86 N -6.07 -0.51 0.07 1.25 0.00 -0.52 -5.03 121.76 110.95 1nbw s ALA 86 Ca -0.13 0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.13 1nbw s ALA 86 Cb 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 1nbw s ALA 86 CO 0.79 -0.18 -0.11 0.95 0.00 0.00 0.00 175.76 177.21 1nbw s THR 87 N -0.79 0.90 0.26 0.00 -4.23 -1.26 -0.23 115.64 110.29 1nbw s THR 87 Ca -0.09 -1.31 -0.05 0.00 -1.18 0.00 0.00 61.69 59.06 1nbw s THR 87 Cb -0.05 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.82 1nbw s THR 87 CO 0.02 -0.34 0.43 0.61 -0.54 0.00 0.00 174.62 174.79 1nbw n GLY 88 N 1.17 1.98 2.99 3.99 0.00 0.30 -5.00 105.19 110.63 1nbw n GLY 88 Ca -0.21 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 1nbw n GLY 88 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1nbw s HIS 89 N -3.73 0.23 -0.72 1.61 2.46 -1.26 -0.41 115.29 113.47 1nbw s HIS 89 Ca 0.18 -0.48 0.07 0.00 0.47 0.00 0.00 55.06 55.29 1nbw s HIS 89 Cb -0.02 -0.17 0.37 0.00 -0.13 0.00 0.00 32.58 32.63 1nbw s HIS 89 CO 0.13 -0.19 1.20 1.55 -2.47 0.00 0.00 174.74 174.95 1nbw n VAL 90 N 1.63 1.64 1.17 0.89 3.14 -0.57 -0.33 118.33 125.89 1nbw n VAL 90 Ca -0.24 0.58 0.13 0.00 -2.96 0.00 0.00 64.34 61.85 1nbw n VAL 90 Cb 0.55 -1.58 0.43 0.00 -1.06 0.00 0.00 33.84 32.18 1nbw n VAL 90 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1nbw n THR 91 N -1.73 0.00 -0.78 1.55 -2.24 -1.26 -4.88 114.28 104.94 1nbw n THR 91 Ca -0.00 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 61.42 1nbw n THR 91 Cb 0.03 0.09 0.17 0.00 -2.10 0.00 0.00 70.33 68.51 1nbw n THR 91 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nbw s ASP 92 N -2.74 2.86 1.07 3.42 1.11 0.55 -4.98 116.67 117.97 1nbw s ASP 92 Ca 0.19 1.99 -0.12 0.00 0.18 0.00 0.00 52.55 54.79 1nbw s ASP 92 Cb 0.19 -2.50 0.23 0.00 1.07 0.00 0.00 42.92 41.91 1nbw s ASP 92 CO 0.57 -3.10 1.06 -0.94 1.18 0.00 0.00 175.17 173.94 1nbw s SER 93 N -2.80 1.85 0.22 0.27 1.04 -1.26 -4.82 113.70 108.20 1nbw s SER 93 Ca 0.66 1.38 -0.05 0.00 0.48 0.00 0.00 55.95 58.41 1nbw s SER 93 Cb -0.22 -2.09 0.20 0.00 0.10 0.00 0.00 66.02 64.00 1nbw s SER 93 CO 0.59 -3.64 1.70 0.44 0.98 0.00 0.00 173.24 173.30 1nbw h ASP 94 N -2.24 0.91 -0.53 7.02 3.32 -1.96 -2.41 116.42 120.53 1nbw h ASP 94 Ca -0.58 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.15 1nbw h ASP 94 Cb 1.33 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1nbw h ASP 94 CO 0.54 0.97 0.04 0.44 -1.72 0.00 0.00 179.24 179.51 1nbw h ASP 95 N 0.86 0.89 0.11 6.45 5.19 -1.99 -0.38 116.42 127.55 1nbw h ASP 95 Ca 0.16 -0.29 -0.04 0.00 -0.62 0.00 0.00 57.03 56.24 1nbw h ASP 95 Cb 0.52 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 1nbw h ASP 95 CO 0.03 0.96 -0.16 1.56 -3.12 0.00 0.00 179.24 178.51 1nbw h GLN 96 N 0.80 0.10 0.07 3.56 4.20 -1.88 0.98 115.11 122.95 1nbw h GLN 96 Ca 0.16 -0.02 -0.24 0.00 0.06 0.00 0.00 58.65 58.60 1nbw h GLN 96 Cb 0.48 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1nbw h GLN 96 CO 0.02 0.27 -1.12 -0.07 -0.67 0.00 0.00 178.83 177.25 1nbw h LEU 97 N 0.10 0.25 -0.25 1.46 3.38 -1.10 -2.45 115.31 116.71 1nbw h LEU 97 Ca 0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1nbw h LEU 97 Cb 0.34 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1nbw h LEU 97 CO 0.02 1.20 0.05 -0.09 0.09 0.00 0.00 178.44 179.71 1nbw h ARG 98 N 0.05 0.41 -1.00 1.13 9.65 -0.25 -2.16 114.38 122.20 1nbw h ARG 98 Ca -0.08 -0.10 0.05 0.00 -1.10 0.00 0.00 59.98 58.74 1nbw h ARG 98 Cb 1.86 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 30.33 1nbw h ARG 98 CO 0.17 0.52 0.65 1.15 2.80 0.00 0.00 179.97 185.26 1nbw h THR 99 N 0.23 1.15 -0.41 0.20 2.02 -0.85 0.14 112.91 115.38 1nbw h THR 99 Ca 0.08 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1nbw h THR 99 Cb 0.30 -0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 1nbw h THR 99 CO 0.00 0.23 0.18 0.25 0.37 0.00 0.00 175.52 176.55 1nbw h LEU 100 N 1.24 0.51 -0.22 2.58 6.46 -1.09 0.32 115.31 125.11 1nbw h LEU 100 Ca 0.41 -0.05 -0.21 0.00 -0.12 0.00 0.00 57.88 57.91 1nbw h LEU 100 Cb 0.05 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 1nbw h LEU 100 CO -0.14 0.46 -0.92 1.23 -0.62 0.00 0.00 178.44 178.45 1nbw h GLY 101 N 0.71 0.30 1.03 3.75 0.00 -0.46 -2.92 103.07 105.49 1nbw h GLY 101 Ca 0.14 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1nbw h GLY 101 CO -0.02 0.49 0.30 0.00 0.00 0.00 0.00 176.54 177.31 1nbw h ALA 102 N 0.87 0.95 -0.70 3.60 0.00 0.72 -2.20 119.26 122.50 1nbw h ALA 102 Ca -0.06 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1nbw h ALA 102 Cb 1.56 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1nbw h ALA 102 CO 0.15 0.56 0.46 -0.91 0.00 0.00 0.00 179.25 179.51 1nbw h ASN 103 N 1.04 0.79 -0.80 0.00 2.35 -0.35 0.59 115.58 119.21 1nbw h ASN 103 Ca 0.24 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1nbw h ASN 103 Cb 0.19 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1nbw h ASN 103 CO -0.02 0.57 0.42 0.00 -1.65 0.00 0.00 177.43 176.76 1nbw h ALA 104 N 1.57 1.22 -0.24 -0.83 0.00 -1.21 0.17 119.26 119.93 1nbw h ALA 104 Ca 0.26 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1nbw h ALA 104 Cb -0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1nbw h ALA 104 CO -0.06 0.62 -0.08 0.78 0.00 0.00 0.00 179.25 180.51 1nbw h GLY 105 N 1.17 0.52 1.41 0.00 0.00 -0.84 -2.32 103.07 103.01 1nbw h GLY 105 Ca 0.28 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.18 1nbw h GLY 105 CO -0.04 0.41 0.38 1.46 0.00 0.00 0.00 176.54 178.75 1nbw h GLN 106 N 0.21 0.73 -0.19 4.80 4.20 -0.46 0.17 115.11 124.57 1nbw h GLN 106 Ca 0.06 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 1nbw h GLN 106 Cb 0.56 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1nbw h GLN 106 CO 0.03 0.48 -0.35 1.25 -0.67 0.00 0.00 178.83 179.57 1nbw h LEU 107 N 0.75 0.42 -0.02 1.46 5.85 -0.50 0.21 115.31 123.49 1nbw h LEU 107 Ca 0.22 -0.17 -0.21 0.00 0.84 0.00 0.00 57.88 58.56 1nbw h LEU 107 Cb -0.05 -0.12 0.02 0.00 0.37 0.00 0.00 40.66 40.88 1nbw h LEU 107 CO -0.05 0.75 -0.79 0.58 -0.34 0.00 0.00 178.44 178.59 1nbw h VAL 108 N 0.35 1.35 -0.00 1.05 2.07 -0.62 -3.24 116.25 117.20 1nbw h VAL 108 Ca 0.04 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.44 1nbw h VAL 108 Cb 0.78 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1nbw h VAL 108 CO 0.06 0.64 -0.04 0.29 0.02 0.00 0.00 177.57 178.54 1nbw n LYS 109 N -4.05 0.93 -3.40 1.57 5.02 0.48 -4.94 118.16 113.77 1nbw n LYS 109 Ca -0.10 -0.24 -0.18 0.00 -2.02 0.00 0.00 58.31 55.76 1nbw n LYS 109 Cb 0.76 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.32 1nbw n LYS 109 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1nbw n VAL 110 N -0.82 -7.81 -4.20 -0.18 0.31 0.17 -5.03 118.33 100.77 1nbw n VAL 110 Ca 0.19 -0.88 -0.19 0.00 -0.01 0.00 0.00 64.34 63.44 1nbw n VAL 110 Cb 0.22 -5.59 -0.12 0.00 -0.91 0.00 0.00 33.84 27.45 1nbw n VAL 110 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1nbw s LEU 111 N -5.44 2.29 0.25 7.52 1.43 0.49 -5.03 118.68 120.19 1nbw s LEU 111 Ca 0.33 -0.65 -0.31 0.00 -1.03 0.00 0.00 54.13 52.47 1nbw s LEU 111 Cb -0.08 -0.59 -0.12 0.00 0.03 0.00 0.00 46.19 45.43 1nbw s LEU 111 CO 0.80 -0.06 1.58 -2.65 0.23 0.00 0.00 176.35 176.25 1nbw n PRO 112 N 1.18 2.49 -2.19 1.29 -0.02 -1.26 -4.46 135.00 132.03 1nbw n PRO 112 Ca -0.20 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1nbw n PRO 112 Cb 0.54 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.34 1nbw n PRO 112 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nbw s LEU 113 N 0.17 4.32 0.37 2.45 1.02 -1.26 -4.97 118.68 120.79 1nbw s LEU 113 Ca 0.69 2.16 -0.27 0.00 0.02 0.00 0.00 54.13 56.73 1nbw s LEU 113 Cb -0.56 -3.56 -0.11 0.00 0.02 0.00 0.00 46.19 41.98 1nbw s LEU 113 CO 0.44 -0.74 1.33 -1.20 0.02 0.00 0.00 176.35 176.20 1nbw n SER 114 N 5.34 2.93 -4.74 2.29 7.64 -1.26 -4.94 113.62 120.88 1nbw n SER 114 Ca 0.13 1.19 -0.31 0.00 1.01 0.00 0.00 58.87 60.89 1nbw n SER 114 Cb 0.43 -1.52 0.12 0.00 -1.01 0.00 0.00 64.21 62.23 1nbw n SER 114 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1nbw s GLU 115 N -2.02 1.82 -0.35 1.43 1.03 -1.26 -4.93 118.70 114.42 1nbw s GLU 115 Ca 0.56 1.27 0.07 0.00 0.03 0.00 0.00 54.97 56.90 1nbw s GLU 115 Cb -0.53 -1.84 0.50 0.00 -0.80 0.00 0.00 34.13 31.45 1nbw s GLU 115 CO 0.61 -1.98 1.50 0.54 -1.33 0.00 0.00 175.26 174.60 1nbw n ARG 116 N -3.77 2.36 -0.31 -4.83 1.74 -1.26 -5.04 116.66 105.55 1nbw n ARG 116 Ca 0.10 -3.42 0.00 0.00 -0.77 0.00 0.00 57.85 53.75 1nbw n ARG 116 Cb 0.53 -2.00 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1nbw n ARG 116 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20