#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2glw s ASP 2 N 0.00 7.09 -0.02 6.12 1.01 -1.26 -5.06 116.67 124.54 2glw s ASP 2 Ca 0.00 1.91 0.04 0.00 0.71 0.00 0.00 52.55 55.22 2glw s ASP 2 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 2glw s ASP 2 CO 0.00 -0.25 -0.15 0.54 0.21 0.00 0.00 175.17 175.51 2glw s VAL 3 N -1.66 1.25 -0.41 -1.27 0.11 -1.26 -4.67 120.40 112.48 2glw s VAL 3 Ca 0.54 -0.65 0.23 0.00 -2.93 0.00 0.00 61.98 59.17 2glw s VAL 3 Cb -0.19 -1.06 0.11 0.00 -1.53 0.00 0.00 36.38 33.71 2glw s VAL 3 CO 0.25 0.36 1.29 -0.07 -3.33 0.00 0.00 175.10 173.60 2glw h LEU 4 N 5.98 0.00 -7.00 2.54 3.38 -1.72 -3.48 115.31 115.02 2glw h LEU 4 Ca -0.34 -0.05 0.15 0.00 0.09 0.00 0.00 57.88 57.73 2glw h LEU 4 Cb 1.16 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.70 2glw h LEU 4 CO 0.48 0.03 0.67 0.00 0.09 0.00 0.00 178.44 179.71 2glw s ALA 5 N -3.26 -1.98 -0.06 1.53 0.00 -1.26 -4.87 121.76 111.86 2glw s ALA 5 Ca 0.04 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.55 2glw s ALA 5 Cb 0.10 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.68 2glw s ALA 5 CO 0.73 -0.42 -0.04 0.21 0.00 0.00 0.00 175.76 176.25 2glw s LYS 6 N -1.69 0.90 0.14 0.00 2.20 -1.26 -1.92 119.74 118.11 2glw s LYS 6 Ca 0.04 -0.08 -0.13 0.00 -0.36 0.00 0.00 55.97 55.45 2glw s LYS 6 Cb -0.01 -1.01 0.01 0.00 -1.51 0.00 0.00 37.83 35.32 2glw s LYS 6 CO -0.03 -0.17 0.34 -0.59 -0.36 0.00 0.00 175.35 174.54 2glw s PHE 7 N 1.33 0.06 -0.07 4.03 -0.71 -0.97 -5.01 117.98 116.64 2glw s PHE 7 Ca -0.04 -0.42 0.02 0.00 -1.04 0.00 0.00 56.93 55.45 2glw s PHE 7 Cb -0.14 0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.77 2glw s PHE 7 CO -0.02 -0.70 -0.11 -1.01 -1.34 0.00 0.00 175.22 172.03 2glw s HIS 8 N -3.87 2.80 0.14 3.49 3.76 -1.26 -1.03 115.29 119.32 2glw s HIS 8 Ca 0.08 -0.14 -0.13 0.00 -0.15 0.00 0.00 55.06 54.72 2glw s HIS 8 Cb 0.03 -1.68 0.01 0.00 1.11 0.00 0.00 32.58 32.05 2glw s HIS 8 CO -0.07 0.19 0.35 -0.08 -0.85 0.00 0.00 174.74 174.28 2glw s THR 9 N -0.63 0.08 0.24 1.30 -1.32 -1.01 -4.97 115.64 109.32 2glw s THR 9 Ca 0.09 -0.97 0.08 0.00 -1.21 0.00 0.00 61.69 59.69 2glw s THR 9 Cb -0.11 -1.46 -0.04 0.00 -1.51 0.00 0.00 72.50 69.37 2glw s THR 9 CO 0.01 -0.35 0.04 0.28 -2.21 0.00 0.00 174.62 172.39 2glw s THR 10 N -3.87 3.72 0.16 5.08 -1.32 -1.26 -1.09 115.64 117.06 2glw s THR 10 Ca 0.08 -1.69 -0.30 0.00 -1.21 0.00 0.00 61.69 58.57 2glw s THR 10 Cb 0.02 -2.97 -0.07 0.00 -1.51 0.00 0.00 72.50 67.98 2glw s THR 10 CO -0.07 -0.31 0.98 -0.69 -2.21 0.00 0.00 174.62 172.33 2glw s VAL 11 N -2.14 4.27 0.44 5.08 1.01 -0.94 -4.77 120.40 123.34 2glw s VAL 11 Ca 0.31 1.99 0.06 0.00 0.00 0.00 0.00 61.98 64.34 2glw s VAL 11 Cb -0.07 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2glw s VAL 11 CO 0.21 0.36 0.15 -1.00 0.00 0.00 0.00 175.10 174.82 2glw s HIS 12 N -0.36 2.40 0.68 5.22 3.76 -0.83 -1.50 115.29 124.66 2glw s HIS 12 Ca 0.46 -0.67 -0.17 0.00 -0.15 0.00 0.00 55.06 54.52 2glw s HIS 12 Cb -0.25 -1.88 -0.09 0.00 1.11 0.00 0.00 32.58 31.47 2glw s HIS 12 CO 0.31 0.17 0.19 0.54 -0.85 0.00 0.00 174.74 175.10 2glw n ARG 13 N -1.25 0.21 -0.89 1.40 1.74 -1.26 -1.42 116.66 115.18 2glw n ARG 13 Ca -0.04 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2glw n ARG 13 Cb 0.65 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 2glw n ARG 13 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2glw n ILE 14 N -2.08 0.00 -1.04 0.55 5.41 -1.26 -2.30 119.36 118.65 2glw n ILE 14 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.82 2glw n ILE 14 Cb 0.50 -0.75 -0.01 0.00 -0.71 0.00 0.00 39.64 38.67 2glw n ILE 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2glw n GLY 15 N -0.20 0.52 3.81 7.39 0.00 -0.51 -4.82 105.19 111.39 2glw n GLY 15 Ca 0.00 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 2glw n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2glw s ARG 16 N -1.41 4.29 0.10 1.61 3.52 -0.97 -2.54 118.95 123.55 2glw s ARG 16 Ca 0.00 0.90 0.04 0.00 -0.13 0.00 0.00 55.73 56.54 2glw s ARG 16 Cb 0.00 -2.92 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 2glw s ARG 16 CO 0.00 0.41 -0.11 0.96 -0.81 0.00 0.00 175.30 175.76 2glw s ILE 17 N -1.48 0.97 -0.12 4.11 -4.36 -0.78 -1.96 121.20 117.58 2glw s ILE 17 Ca 0.42 -1.62 0.02 0.00 -0.26 0.00 0.00 60.65 59.21 2glw s ILE 17 Cb -0.17 -1.35 -0.01 0.00 1.25 0.00 0.00 42.46 42.18 2glw s ILE 17 CO 0.21 -0.53 -0.18 -0.63 0.24 0.00 0.00 174.94 174.05 2glw s ILE 18 N -2.35 2.54 0.34 8.37 -1.09 -1.26 -1.63 121.20 126.12 2glw s ILE 18 Ca 0.05 -0.84 -0.25 0.00 -2.23 0.00 0.00 60.65 57.38 2glw s ILE 18 Cb -0.03 -2.03 -0.10 0.00 -1.58 0.00 0.00 42.46 38.71 2glw s ILE 18 CO 0.00 0.54 0.94 -0.63 -1.23 0.00 0.00 174.94 174.56 2glw s ILE 19 N 0.47 4.24 0.45 2.92 1.01 -1.17 -4.98 121.20 124.15 2glw s ILE 19 Ca -0.13 1.77 -0.25 0.00 0.00 0.00 0.00 60.65 62.05 2glw s ILE 19 Cb -0.17 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 2glw s ILE 19 CO 0.05 0.07 1.34 -2.16 0.00 0.00 0.00 174.94 174.25 2glw s PRO 20 N -2.22 3.69 0.58 2.79 0.04 -1.26 -4.86 135.00 133.76 2glw s PRO 20 Ca 0.52 2.23 0.27 0.00 0.04 0.00 0.00 61.00 64.06 2glw s PRO 20 Cb -0.17 -2.60 1.62 0.00 0.04 0.00 0.00 34.50 33.40 2glw s PRO 20 CO 0.22 -0.74 2.13 0.00 0.04 0.00 0.00 177.00 178.64 2glw h ALA 21 N 2.27 1.83 -0.41 8.56 0.00 -1.95 -1.81 119.26 127.76 2glw h ALA 21 Ca -0.50 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2glw h ALA 21 Cb 1.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2glw h ALA 21 CO 0.61 -0.24 0.09 0.78 0.00 0.00 0.00 179.25 180.49 2glw h GLY 22 N 0.00 0.71 1.29 0.00 0.00 -2.00 -2.16 103.07 100.91 2glw h GLY 22 Ca 0.07 -0.45 -0.15 0.00 0.00 0.00 0.00 47.33 46.80 2glw h GLY 22 CO -0.00 0.42 -0.41 -0.84 0.00 0.00 0.00 176.54 175.71 2glw h THR 23 N 0.52 1.29 -0.87 4.70 2.02 -1.70 -2.50 112.91 116.36 2glw h THR 23 Ca 0.13 -1.59 0.08 0.00 0.77 0.00 0.00 66.41 65.80 2glw h THR 23 Cb 0.33 1.48 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 2glw h THR 23 CO 0.00 0.52 0.53 0.03 0.37 0.00 0.00 175.52 176.97 2glw h ARG 24 N 0.63 0.91 0.01 6.66 3.08 -1.35 -1.63 114.38 122.69 2glw h ARG 24 Ca 0.05 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2glw h ARG 24 Cb 0.97 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2glw h ARG 24 CO 0.09 0.60 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.37 2glw h LYS 25 N 0.93 -0.01 -0.85 0.04 3.64 -1.16 0.38 116.57 119.55 2glw h LYS 25 Ca 0.40 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.85 2glw h LYS 25 Cb 0.26 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 2glw h LYS 25 CO -0.20 0.29 0.55 0.35 -2.27 0.00 0.00 179.45 178.16 2glw h PHE 26 N -0.30 0.94 0.00 1.91 3.57 -1.12 -2.18 116.94 119.76 2glw h PHE 26 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2glw h PHE 26 Cb 0.30 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2glw h PHE 26 CO 0.03 0.49 -0.57 0.98 -2.23 0.00 0.00 178.31 177.00 2glw n TYR 27 N -4.49 0.49 -2.65 0.41 4.19 -0.64 -4.97 117.16 109.50 2glw n TYR 27 Ca 0.13 0.14 -0.05 0.00 3.31 0.00 0.00 57.90 61.43 2glw n TYR 27 Cb 0.22 -0.61 0.02 0.00 0.49 0.00 0.00 39.34 39.46 2glw n TYR 27 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2glw n GLY 28 N 1.36 0.52 3.73 2.98 0.00 0.02 -5.01 105.19 108.79 2glw n GLY 28 Ca 0.04 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 2glw n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2glw s ILE 29 N -3.08 5.09 0.17 -0.61 1.01 -0.60 -5.05 121.20 118.14 2glw s ILE 29 Ca 0.10 1.16 0.07 0.00 0.00 0.00 0.00 60.65 61.98 2glw s ILE 29 Cb -0.05 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2glw s ILE 29 CO 0.17 0.32 -0.13 -1.61 0.00 0.00 0.00 174.94 173.69 2glw s GLU 30 N 0.49 1.21 0.35 2.79 2.02 -1.26 -4.87 118.70 119.42 2glw s GLU 30 Ca 0.31 -1.49 -0.28 0.00 0.02 0.00 0.00 54.97 53.52 2glw s GLU 30 Cb -0.17 -0.96 -0.12 0.00 0.10 0.00 0.00 34.13 32.98 2glw s GLU 30 CO 0.14 0.16 1.39 0.94 0.02 0.00 0.00 175.26 177.91 2glw n GLN 31 N -0.16 2.37 0.00 1.61 7.27 -1.26 -2.06 117.38 125.15 2glw n GLN 31 Ca -0.10 0.83 0.00 0.00 0.07 0.00 0.00 57.00 57.80 2glw n GLN 31 Cb 0.60 -2.49 0.00 0.00 2.41 0.00 0.00 30.24 30.76 2glw n GLN 31 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2glw n GLY 32 N 0.80 2.20 3.83 1.69 0.00 -0.85 -5.01 105.19 107.85 2glw n GLY 32 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2glw n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2glw s ASP 33 N -1.77 5.74 -0.08 1.61 1.01 -0.87 -4.80 116.67 117.50 2glw s ASP 33 Ca 0.00 1.63 0.00 0.00 0.71 0.00 0.00 52.55 54.89 2glw s ASP 33 Cb 0.00 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 2glw s ASP 33 CO 0.00 -1.20 -0.07 -0.36 0.21 0.00 0.00 175.17 173.75 2glw s PHE 34 N -2.88 2.94 0.11 4.23 0.40 -0.93 -1.39 117.98 120.45 2glw s PHE 34 Ca 0.59 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.92 2glw s PHE 34 Cb -0.14 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 2glw s PHE 34 CO 0.48 0.25 -0.13 0.14 0.70 0.00 0.00 175.22 176.66 2glw s VAL 35 N -0.60 1.21 -0.17 -0.44 -7.23 -0.65 -0.55 120.40 111.98 2glw s VAL 35 Ca 0.09 -1.64 -0.00 0.00 -1.81 0.00 0.00 61.98 58.61 2glw s VAL 35 Cb -0.12 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.39 2glw s VAL 35 CO 0.02 -0.42 -0.14 -0.70 -0.31 0.00 0.00 175.10 173.55 2glw s GLU 36 N -2.57 3.22 0.05 4.82 2.12 -0.32 -1.73 118.70 124.29 2glw s GLU 36 Ca 0.07 -0.74 -0.01 0.00 0.36 0.00 0.00 54.97 54.65 2glw s GLU 36 Cb -0.05 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.62 2glw s GLU 36 CO 0.02 -0.05 -0.01 -1.50 -0.54 0.00 0.00 175.26 173.18 2glw s ILE 37 N 0.99 0.19 0.04 -3.70 2.07 -0.91 0.06 121.20 119.94 2glw s ILE 37 Ca -0.02 -1.60 0.04 0.00 -1.41 0.00 0.00 60.65 57.66 2glw s ILE 37 Cb -0.15 -1.28 -0.02 0.00 0.13 0.00 0.00 42.46 41.15 2glw s ILE 37 CO -0.03 -0.88 -0.11 -0.75 -1.91 0.00 0.00 174.94 171.26 2glw s LYS 38 N -3.46 0.76 0.13 3.50 2.20 -0.08 -2.06 119.74 120.73 2glw s LYS 38 Ca 0.03 -0.69 0.08 0.00 -0.36 0.00 0.00 55.97 55.03 2glw s LYS 38 Cb 0.05 -0.71 -0.04 0.00 -1.51 0.00 0.00 37.83 35.61 2glw s LYS 38 CO -0.08 0.17 -0.14 0.96 -0.36 0.00 0.00 175.35 175.90 2glw s ILE 39 N -0.89 3.07 -0.04 5.43 -4.36 -0.13 -1.12 121.20 123.17 2glw s ILE 39 Ca -0.01 -1.47 -0.01 0.00 -0.26 0.00 0.00 60.65 58.89 2glw s ILE 39 Cb -0.08 -2.44 0.03 0.00 1.25 0.00 0.00 42.46 41.22 2glw s ILE 39 CO 0.01 0.06 0.04 -0.69 0.24 0.00 0.00 174.94 174.60 2glw s VAL 40 N -1.29 -0.04 0.04 8.37 1.01 -0.74 -1.97 120.40 125.77 2glw s VAL 40 Ca 0.21 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.54 2glw s VAL 40 Cb -0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 2glw s VAL 40 CO 0.12 0.16 -0.11 -0.75 0.00 0.00 0.00 175.10 174.52 2glw s LYS 41 N 1.75 0.71 -0.19 2.72 2.20 -0.63 -2.71 119.74 123.60 2glw s LYS 41 Ca -0.00 -0.74 -0.09 0.00 -0.36 0.00 0.00 55.97 54.78 2glw s LYS 41 Cb -0.12 -0.63 -0.05 0.00 -1.51 0.00 0.00 37.83 35.52 2glw s LYS 41 CO -0.03 0.14 0.11 -0.47 -0.36 0.00 0.00 175.35 174.74 2glw s TYR 42 N -1.04 3.37 -0.05 4.03 5.04 -1.26 -0.77 117.35 126.68 2glw s TYR 42 Ca -0.03 0.27 0.02 0.00 -2.44 0.00 0.00 57.07 54.89 2glw s TYR 42 Cb -0.08 -2.11 0.01 0.00 0.35 0.00 0.00 41.96 40.13 2glw s TYR 42 CO 0.01 0.29 -0.08 -1.21 -1.34 0.00 0.00 175.55 173.22 2glw s GLU 43 N 0.23 1.14 7.94 4.97 2.02 -1.01 -4.94 118.70 129.06 2glw s GLU 43 Ca 0.07 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 54.81 2glw s GLU 43 Cb -0.11 -1.03 0.00 0.00 0.10 0.00 0.00 34.13 33.09 2glw s GLU 43 CO -0.01 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.69 2glw n GLY 44 N 3.77 3.77 1.06 -1.39 0.00 -1.26 -1.90 105.19 109.24 2glw n GLY 44 Ca -0.23 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.83 2glw n GLY 44 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2glw n GLU 45 N 14.00 2.88 -4.48 1.61 0.28 -1.26 -4.96 120.64 128.70 2glw n GLU 45 Ca 0.00 -2.44 -0.21 0.00 -0.16 0.00 0.00 57.16 54.36 2glw n GLU 45 Cb 0.00 -1.48 -0.15 0.00 1.43 0.00 0.00 31.44 31.24 2glw n GLU 45 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2glw s GLU 46 N -1.12 1.01 0.28 3.44 -1.05 -0.80 -5.13 118.70 115.33 2glw s GLU 46 Ca 0.38 -0.38 -0.29 0.00 -0.15 0.00 0.00 54.97 54.53 2glw s GLU 46 Cb 0.21 -0.95 -0.09 0.00 -0.44 0.00 0.00 34.13 32.85 2glw s GLU 46 CO 0.25 0.19 1.07 -1.25 0.95 0.00 0.00 175.26 176.47 2glw s PRO 47 N -0.06 4.67 -0.09 -4.83 0.05 -1.26 -2.40 135.00 131.08 2glw s PRO 47 Ca 0.01 1.75 0.00 0.00 0.05 0.00 0.00 61.00 62.81 2glw s PRO 47 Cb -0.07 -3.20 -0.03 0.00 0.05 0.00 0.00 34.50 31.26 2glw s PRO 47 CO 0.00 0.26 -0.09 0.15 0.05 0.00 0.00 177.00 177.37 2glw s LYS 48 N -1.42 2.95 0.16 4.56 -0.14 0.05 -4.92 119.74 120.99 2glw s LYS 48 Ca 0.44 -0.59 0.01 0.00 -1.36 0.00 0.00 55.97 54.48 2glw s LYS 48 Cb -0.31 -2.61 -0.05 0.00 -1.68 0.00 0.00 37.83 33.18 2glw s LYS 48 CO 0.39 0.52 0.01 -1.21 -0.76 0.00 0.00 175.35 174.31 2glw s GLU 49 N -0.44 1.08 -0.26 1.68 2.02 -1.26 -1.60 118.70 119.92 2glw s GLU 49 Ca 0.06 -1.52 -0.20 0.00 0.02 0.00 0.00 54.97 53.34 2glw s GLU 49 Cb -0.12 -0.18 0.07 0.00 0.10 0.00 0.00 34.13 34.00 2glw s GLU 49 CO 0.02 -0.15 0.66 0.20 0.02 0.00 0.00 175.26 176.01 2glw s GLY 50 N -3.15 -0.54 -0.04 -1.39 0.00 -0.83 -4.81 107.32 96.56 2glw s GLY 50 Ca 0.24 2.05 0.05 0.00 0.00 0.00 0.00 44.72 47.06 2glw s GLY 50 CO 0.03 1.91 -0.19 -1.59 0.00 0.00 0.00 173.10 173.26 2glw s THR 51 N 0.88 1.55 0.31 0.90 2.01 -1.26 -0.95 115.64 119.07 2glw s THR 51 Ca -0.04 -0.80 -0.15 0.00 0.31 0.00 0.00 61.69 61.01 2glw s THR 51 Cb -0.05 -1.31 0.02 0.00 0.01 0.00 0.00 72.50 71.16 2glw s THR 51 CO -0.07 0.44 0.63 0.72 -0.69 0.00 0.00 174.62 175.65 2glw s PHE 52 N -0.16 0.23 -0.08 4.92 -0.71 -0.87 -5.02 117.98 116.29 2glw s PHE 52 Ca 0.00 -0.68 -0.02 0.00 -1.04 0.00 0.00 56.93 55.19 2glw s PHE 52 Cb -0.10 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.15 2glw s PHE 52 CO 0.01 -1.24 0.00 0.99 -1.34 0.00 0.00 175.22 173.65 2glw s THR 53 N -3.42 4.31 -0.00 -4.49 2.01 -1.26 -2.13 115.64 110.64 2glw s THR 53 Ca 0.18 -0.27 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 2glw s THR 53 Cb -0.03 -2.82 -0.00 0.00 0.01 0.00 0.00 72.50 69.65 2glw s THR 53 CO 0.11 0.59 0.06 0.00 -0.69 0.00 0.00 174.62 174.69 2glw s ALA 54 N -0.90 -0.14 0.10 7.40 0.00 -0.70 -5.01 121.76 122.51 2glw s ALA 54 Ca 0.14 -0.14 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 2glw s ALA 54 Cb -0.11 0.03 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 2glw s ALA 54 CO 0.03 -0.13 0.42 0.50 0.00 0.00 0.00 175.76 176.58 2glw s ARG 55 N -0.86 3.78 -0.06 0.00 3.52 -1.26 -1.64 118.95 122.44 2glw s ARG 55 Ca -0.09 0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 55.41 2glw s ARG 55 Cb -0.06 -2.97 -0.03 0.00 -1.56 0.00 0.00 34.95 30.34 2glw s ARG 55 CO 0.00 0.54 1.09 0.08 -0.81 0.00 0.00 175.30 176.20 2glw s VAL 56 N -1.44 4.54 0.00 7.11 1.01 -0.49 -4.75 120.40 126.38 2glw s VAL 56 Ca 0.35 1.83 0.00 0.00 0.00 0.00 0.00 61.98 64.15 2glw s VAL 56 Cb -0.14 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.07 2glw s VAL 56 CO 0.19 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.93 2glw n GLY 57 N 3.17 2.33 3.72 4.51 0.00 -0.87 -2.01 105.19 116.04 2glw n GLY 57 Ca 0.09 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 2glw n GLY 57 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2glw s GLU 58 N -0.84 2.18 -1.56 1.61 2.56 -1.26 -2.34 118.70 119.04 2glw s GLU 58 Ca 0.00 1.83 0.00 0.00 0.00 0.00 0.00 54.97 56.80 2glw s GLU 58 Cb 0.00 -1.83 0.00 0.00 2.00 0.00 0.00 34.13 34.30 2glw s GLU 58 CO 0.00 -1.82 0.00 1.04 -0.56 0.00 0.00 175.26 173.92 2glw n GLN 59 N -2.59 -1.36 -1.25 4.30 6.02 -1.26 -2.15 117.38 119.09 2glw n GLN 59 Ca 0.14 0.87 -0.07 0.00 -0.01 0.00 0.00 57.00 57.93 2glw n GLN 59 Cb 0.50 -5.16 -0.03 0.00 1.02 0.00 0.00 30.24 26.57 2glw n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2glw n GLY 60 N -0.30 0.90 3.79 1.08 0.00 -0.99 -4.70 105.19 104.97 2glw n GLY 60 Ca -0.15 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 2glw n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2glw s SER 61 N -2.91 6.99 0.01 1.61 1.04 -0.91 -3.03 113.70 116.50 2glw s SER 61 Ca 0.00 1.85 0.01 0.00 0.48 0.00 0.00 55.95 58.29 2glw s SER 61 Cb 0.00 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 2glw s SER 61 CO 0.00 -0.32 -0.03 0.54 0.98 0.00 0.00 173.24 174.41 2glw s VAL 62 N -1.82 0.18 -0.20 5.02 0.11 -0.65 -2.06 120.40 120.98 2glw s VAL 62 Ca 0.57 -0.58 -0.04 0.00 -2.93 0.00 0.00 61.98 59.00 2glw s VAL 62 Cb -0.16 -0.25 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2glw s VAL 62 CO 0.21 -0.26 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.07 2glw s ILE 63 N -0.85 3.68 0.33 7.04 -1.09 -1.26 -1.87 121.20 127.18 2glw s ILE 63 Ca -0.08 -0.40 -0.26 0.00 -2.23 0.00 0.00 60.65 57.67 2glw s ILE 63 Cb -0.06 -2.66 -0.10 0.00 -1.58 0.00 0.00 42.46 38.06 2glw s ILE 63 CO -0.00 0.43 0.98 -0.63 -1.23 0.00 0.00 174.94 174.49 2glw s ILE 64 N 1.15 4.02 0.24 2.92 1.01 -1.05 -4.93 121.20 124.56 2glw s ILE 64 Ca 0.02 1.70 -0.30 0.00 0.00 0.00 0.00 60.65 62.07 2glw s ILE 64 Cb -0.15 -3.95 -0.10 0.00 0.01 0.00 0.00 42.46 38.27 2glw s ILE 64 CO 0.00 0.16 1.47 -2.16 0.00 0.00 0.00 174.94 174.41 2glw s PRO 65 N -2.04 4.25 0.42 2.79 0.04 -1.26 -4.85 135.00 134.36 2glw s PRO 65 Ca 0.51 2.33 0.14 0.00 0.04 0.00 0.00 61.00 64.03 2glw s PRO 65 Cb -0.21 -3.11 1.02 0.00 0.04 0.00 0.00 34.50 32.25 2glw s PRO 65 CO 0.27 -0.46 1.94 -0.22 0.04 0.00 0.00 177.00 178.56 2glw h LYS 66 N 5.23 0.42 -0.82 4.56 3.64 -1.94 -1.21 116.57 126.45 2glw h LYS 66 Ca -0.46 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.93 2glw h LYS 66 Cb 1.22 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 2glw h LYS 66 CO 0.79 0.28 0.54 0.00 -2.27 0.00 0.00 179.45 178.80 2glw h ALA 67 N 1.66 1.50 0.02 5.00 0.00 -2.01 -1.76 119.26 123.68 2glw h ALA 67 Ca 0.34 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 55.00 2glw h ALA 67 Cb 0.72 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2glw h ALA 67 CO -0.11 0.41 -0.94 -0.07 0.00 0.00 0.00 179.25 178.54 2glw h LEU 68 N 1.01 0.25 -0.47 0.00 3.38 -1.61 -2.99 115.31 114.88 2glw h LEU 68 Ca 0.33 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.12 2glw h LEU 68 Cb 0.05 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2glw h LEU 68 CO -0.10 1.06 0.25 0.03 0.09 0.00 0.00 178.44 179.77 2glw h ARG 69 N 0.09 0.47 -0.10 1.13 3.08 -0.95 -1.57 114.38 116.53 2glw h ARG 69 Ca -0.05 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 2glw h ARG 69 Cb 1.60 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.55 2glw h ARG 69 CO 0.14 0.31 -0.12 -0.44 -1.07 0.00 0.00 179.97 178.79 2glw h ASP 70 N 0.49 0.28 -0.79 7.04 3.32 -1.49 -1.65 116.42 123.61 2glw h ASP 70 Ca 0.20 -0.51 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 2glw h ASP 70 Cb 0.09 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 2glw h ASP 70 CO -0.13 0.73 0.50 0.58 -1.72 0.00 0.00 179.24 179.20 2glw h VAL 71 N -0.17 1.22 0.00 -1.35 2.07 -1.43 -2.33 116.25 114.26 2glw h VAL 71 Ca 0.01 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2glw h VAL 71 Cb 0.66 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2glw h VAL 71 CO 0.03 0.22 -0.23 0.40 0.02 0.00 0.00 177.57 178.01 2glw h ILE 72 N 1.09 0.00 -1.24 4.57 2.04 -1.28 -3.48 117.51 119.21 2glw h ILE 72 Ca 0.29 -0.78 -0.08 0.00 1.00 0.00 0.00 64.86 65.29 2glw h ILE 72 Cb -0.07 1.65 0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2glw h ILE 72 CO -0.06 0.00 -0.11 0.61 0.00 0.00 0.00 178.15 178.59 2glw n GLY 73 N 1.20 0.45 3.81 5.37 0.00 -0.66 -4.82 105.19 110.55 2glw n GLY 73 Ca 0.04 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 2glw n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2glw s ILE 74 N -2.64 4.99 0.25 -0.61 -1.09 -0.97 -5.06 121.20 116.06 2glw s ILE 74 Ca 0.06 0.94 0.09 0.00 -2.23 0.00 0.00 60.65 59.50 2glw s ILE 74 Cb -0.02 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 37.04 2glw s ILE 74 CO 0.07 0.54 -0.14 -0.54 -1.23 0.00 0.00 174.94 173.64 2glw s LYS 75 N -0.85 1.49 0.31 2.79 -0.14 -1.26 -4.88 119.74 117.19 2glw s LYS 75 Ca 0.25 -1.69 -0.29 0.00 -1.36 0.00 0.00 55.97 52.87 2glw s LYS 75 Cb -0.17 -1.34 -0.11 0.00 -1.68 0.00 0.00 37.83 34.53 2glw s LYS 75 CO 0.14 0.20 1.56 -1.25 -0.76 0.00 0.00 175.35 175.24 2glw s PRO 76 N -3.62 4.13 0.00 -1.68 0.04 -1.26 -2.46 135.00 130.14 2glw s PRO 76 Ca 0.26 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.87 2glw s PRO 76 Cb -0.01 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.52 2glw s PRO 76 CO 0.10 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.96 2glw n GLY 77 N 1.73 0.74 3.79 0.56 0.00 -0.56 -4.95 105.19 106.51 2glw n GLY 77 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2glw n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2glw s GLU 78 N -0.58 3.93 -0.07 1.61 2.02 -1.03 -4.87 118.70 119.71 2glw s GLU 78 Ca 0.00 -0.03 -0.17 0.00 0.02 0.00 0.00 54.97 54.79 2glw s GLU 78 Cb 0.00 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.86 2glw s GLU 78 CO 0.00 0.48 0.46 0.54 0.02 0.00 0.00 175.26 176.77 2glw s VAL 79 N -0.23 5.11 0.24 2.63 0.11 -1.26 -2.21 120.40 124.79 2glw s VAL 79 Ca 0.14 0.94 0.10 0.00 -2.93 0.00 0.00 61.98 60.23 2glw s VAL 79 Cb -0.13 -3.79 -0.05 0.00 -1.53 0.00 0.00 36.38 30.88 2glw s VAL 79 CO 0.03 0.41 -0.18 0.27 -3.33 0.00 0.00 175.10 172.31 2glw s ILE 80 N 0.04 2.14 -0.18 7.04 -4.36 -0.25 -4.93 121.20 120.70 2glw s ILE 80 Ca 0.25 -2.29 -0.11 0.00 -0.26 0.00 0.00 60.65 58.25 2glw s ILE 80 Cb -0.16 -2.16 -0.05 0.00 1.25 0.00 0.00 42.46 41.34 2glw s ILE 80 CO 0.12 -0.46 0.18 -0.70 0.24 0.00 0.00 174.94 174.32 2glw s GLU 81 N -3.49 4.11 -0.12 0.37 2.12 -1.10 -2.40 118.70 118.19 2glw s GLU 81 Ca 0.26 -0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.49 2glw s GLU 81 Cb -0.03 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 2glw s GLU 81 CO 0.11 0.35 -0.16 0.08 -0.54 0.00 0.00 175.26 175.10 2glw s VAL 82 N 0.20 2.76 -0.12 3.70 1.01 -0.20 -1.80 120.40 125.96 2glw s VAL 82 Ca 0.11 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2glw s VAL 82 Cb -0.12 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2glw s VAL 82 CO 0.01 0.53 -0.16 -0.76 0.00 0.00 0.00 175.10 174.72 2glw s LEU 83 N 0.35 2.54 0.24 3.92 1.43 -0.27 -2.30 118.68 124.59 2glw s LEU 83 Ca -0.13 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 2glw s LEU 83 Cb -0.17 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.41 2glw s LEU 83 CO 0.07 0.18 0.94 -0.76 0.23 0.00 0.00 176.35 177.00 2glw s LEU 84 N 0.27 4.65 -0.13 1.79 1.43 -0.81 -0.91 118.68 124.98 2glw s LEU 84 Ca -0.12 1.94 0.06 0.00 -1.03 0.00 0.00 54.13 54.99 2glw s LEU 84 Cb -0.16 -3.60 -0.12 0.00 0.03 0.00 0.00 46.19 42.34 2glw s LEU 84 CO 0.06 0.16 -0.03 0.18 0.23 0.00 0.00 176.35 176.94 2glw n LEU 85 N 1.52 1.31 0.00 1.79 4.77 0.11 -2.10 117.00 124.41 2glw n LEU 85 Ca -0.02 -0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 55.91 2glw n LEU 85 Cb 0.47 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2glw n LEU 85 CO 0.50 0.49 0.39 0.61 -1.33 0.00 0.00 177.39 178.05 2glw n GLY 86 N 2.52 0.94 3.12 -0.72 0.00 -0.97 -4.75 105.19 105.33 2glw n GLY 86 Ca -0.22 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 2glw n GLY 86 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2glw s HIS 87 N -4.09 0.21 0.01 1.61 -3.43 -1.26 -1.17 115.29 107.17 2glw s HIS 87 Ca 0.11 -0.54 -0.02 0.00 -0.80 0.00 0.00 55.06 53.82 2glw s HIS 87 Cb -0.01 -0.15 -0.01 0.00 -1.43 0.00 0.00 32.58 30.98 2glw s HIS 87 CO 0.02 -0.38 0.02 0.71 -2.00 0.00 0.00 174.74 173.11 2glw s TYR 88 N -2.80 0.12 0.26 0.38 2.02 0.28 -4.93 117.35 112.69 2glw s TYR 88 Ca -0.03 -0.25 0.09 0.00 -0.37 0.00 0.00 57.07 56.51 2glw s TYR 88 Cb -0.00 -0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.42 2glw s TYR 88 CO -0.05 -0.15 0.02 0.15 -1.57 0.00 0.00 175.55 173.95 2glw s LYS 89 N -0.96 2.38 0.38 -0.62 1.02 -1.26 -2.20 119.74 118.48 2glw s LYS 89 Ca -0.11 -1.37 -0.26 0.00 0.02 0.00 0.00 55.97 54.25 2glw s LYS 89 Cb -0.06 -2.22 -0.11 0.00 -0.52 0.00 0.00 37.83 34.92 2glw s LYS 89 CO -0.00 0.37 1.23 -2.30 -0.92 0.00 0.00 175.35 173.73 2glw n PRO 90 N -0.92 1.91 -4.51 -1.68 -0.02 -1.26 -4.96 135.00 123.56 2glw n PRO 90 Ca -0.07 0.68 -0.21 0.00 -2.02 0.00 0.00 63.50 61.88 2glw n PRO 90 Cb 0.59 -2.29 -0.14 0.00 -0.02 0.00 0.00 33.50 31.63 2glw n PRO 90 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2glw s ARG 91 N -2.02 1.00 0.00 -0.52 3.52 -1.26 -5.19 118.95 114.48 2glw s ARG 91 Ca 0.59 -0.54 0.00 0.00 -0.13 0.00 0.00 55.73 55.64 2glw s ARG 91 Cb -0.55 -0.98 0.00 0.00 -1.56 0.00 0.00 34.95 31.87 2glw s ARG 91 CO 0.60 0.26 0.36 0.09 -0.81 0.00 0.00 175.30 175.79