#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 6.50 -0.03 7.83 1.01 -1.26 -5.06 116.67 125.66 2glw s ASP 2 Ca 0.00 1.91 0.04 0.00 0.71 0.00 0.00 52.55 55.21 2glw s ASP 2 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 2glw s ASP 2 CO 0.00 -0.67 -0.15 0.54 0.21 0.00 0.00 175.17 175.10 2glw s VAL 3 N -1.96 1.22 -0.31 -1.27 0.11 -1.26 -4.65 120.40 112.27 2glw s VAL 3 Ca 0.65 -0.63 0.23 0.00 -2.93 0.00 0.00 61.98 59.30 2glw s VAL 3 Cb -0.16 -1.04 0.13 0.00 -1.53 0.00 0.00 36.38 33.78 2glw s VAL 3 CO 0.20 0.35 1.27 -0.07 -3.33 0.00 0.00 175.10 173.52 2glw h LEU 4 N 6.07 0.00 -7.00 2.54 3.38 -1.73 -3.48 115.31 115.09 2glw h LEU 4 Ca -0.34 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.81 2glw h LEU 4 Cb 1.17 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.71 2glw h LEU 4 CO 0.48 0.01 0.71 0.00 0.09 0.00 0.00 178.44 179.73 2glw s ALA 5 N -3.29 -2.00 -0.06 1.53 0.00 -1.26 -4.79 121.76 111.88 2glw s ALA 5 Ca 0.02 1.53 -0.00 0.00 0.00 0.00 0.00 51.96 53.51 2glw s ALA 5 Cb 0.08 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.86 2glw s ALA 5 CO 0.74 -0.49 -0.03 0.21 0.00 0.00 0.00 175.76 176.19 2glw s LYS 6 N -2.04 0.82 0.14 0.00 2.20 -1.26 -1.96 119.74 117.65 2glw s LYS 6 Ca 0.06 -0.03 -0.12 0.00 -0.36 0.00 0.00 55.97 55.52 2glw s LYS 6 Cb -0.01 -0.99 0.01 0.00 -1.51 0.00 0.00 37.83 35.33 2glw s LYS 6 CO -0.04 -0.20 0.33 -0.59 -0.36 0.00 0.00 175.35 174.48 2glw s PHE 7 N 1.48 0.10 -0.07 4.03 -0.71 -0.98 -5.01 117.98 116.83 2glw s PHE 7 Ca -0.02 -0.47 0.02 0.00 -1.04 0.00 0.00 56.93 55.42 2glw s PHE 7 Cb -0.13 0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.75 2glw s PHE 7 CO -0.03 -0.71 -0.11 -1.01 -1.34 0.00 0.00 175.22 172.02 2glw s HIS 8 N -3.89 2.82 0.14 3.49 3.76 -1.26 -1.11 115.29 119.25 2glw s HIS 8 Ca 0.09 -0.14 -0.13 0.00 -0.15 0.00 0.00 55.06 54.73 2glw s HIS 8 Cb 0.03 -1.70 0.02 0.00 1.11 0.00 0.00 32.58 32.03 2glw s HIS 8 CO -0.06 0.20 0.36 -0.08 -0.85 0.00 0.00 174.74 174.31 2glw s THR 9 N -0.61 0.07 0.24 1.30 -1.32 -1.03 -4.97 115.64 109.32 2glw s THR 9 Ca 0.09 -0.93 0.09 0.00 -1.21 0.00 0.00 61.69 59.73 2glw s THR 9 Cb -0.11 -1.46 -0.04 0.00 -1.51 0.00 0.00 72.50 69.38 2glw s THR 9 CO 0.01 -0.33 0.02 0.28 -2.21 0.00 0.00 174.62 172.40 2glw s THR 10 N -3.87 3.66 0.18 5.08 -1.32 -1.26 -1.07 115.64 117.04 2glw s THR 10 Ca 0.08 -1.70 -0.30 0.00 -1.21 0.00 0.00 61.69 58.56 2glw s THR 10 Cb 0.02 -2.93 -0.08 0.00 -1.51 0.00 0.00 72.50 68.01 2glw s THR 10 CO -0.07 -0.29 0.98 -0.69 -2.21 0.00 0.00 174.62 172.34 2glw s VAL 11 N -2.12 4.18 0.44 5.08 1.01 -0.94 -4.75 120.40 123.29 2glw s VAL 11 Ca 0.30 1.97 0.06 0.00 0.00 0.00 0.00 61.98 64.32 2glw s VAL 11 Cb -0.07 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 2glw s VAL 11 CO 0.20 0.38 0.12 -1.00 0.00 0.00 0.00 175.10 174.81 2glw s HIS 12 N -0.56 2.39 0.68 5.22 3.76 -0.71 -1.64 115.29 124.44 2glw s HIS 12 Ca 0.45 -0.69 -0.17 0.00 -0.15 0.00 0.00 55.06 54.50 2glw s HIS 12 Cb -0.26 -1.86 -0.08 0.00 1.11 0.00 0.00 32.58 31.49 2glw s HIS 12 CO 0.32 0.21 0.22 -2.13 -0.85 0.00 0.00 174.74 172.51 2glw n ARG 13 N -1.21 0.22 -0.87 1.40 0.63 -1.26 -1.25 116.66 114.32 2glw n ARG 13 Ca -0.05 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 2glw n ARG 13 Cb 0.66 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 32.05 2glw n ARG 13 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2glw n ILE 14 N -2.09 0.00 -1.04 5.15 5.41 -1.26 -2.34 119.36 123.19 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 -0.72 -0.01 0.00 -0.71 0.00 0.00 39.64 38.70 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 -0.33 0.52 3.81 7.39 0.00 -0.38 -4.81 105.19 111.39 2glw n GLY 15 Ca 0.00 -0.59 -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 -1.42 4.30 0.10 1.61 3.52 -0.99 -2.55 118.95 123.52 2glw s ARG 16 Ca 0.00 0.93 0.04 0.00 -0.13 0.00 0.00 55.73 56.57 2glw s ARG 16 Cb 0.00 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 2glw s ARG 16 CO 0.00 0.38 -0.12 0.96 -0.81 0.00 0.00 175.30 175.71 2glw s ILE 17 N -1.53 1.06 -0.13 4.11 -4.36 -0.70 -1.74 121.20 117.91 2glw s ILE 17 Ca 0.44 -1.63 0.01 0.00 -0.26 0.00 0.00 60.65 59.21 2glw s ILE 17 Cb -0.17 -1.37 -0.01 0.00 1.25 0.00 0.00 42.46 42.16 2glw s ILE 17 CO 0.21 -0.49 -0.17 -0.63 0.24 0.00 0.00 174.94 174.11 2glw s ILE 18 N -2.24 2.64 0.34 8.37 -1.09 -1.26 -1.57 121.20 126.40 2glw s ILE 18 Ca 0.06 -0.80 -0.25 0.00 -2.23 0.00 0.00 60.65 57.43 2glw s ILE 18 Cb -0.04 -2.09 -0.10 0.00 -1.58 0.00 0.00 42.46 38.65 2glw s ILE 18 CO 0.01 0.53 0.95 -0.63 -1.23 0.00 0.00 174.94 174.57 2glw s ILE 19 N 0.50 4.24 0.44 2.92 1.01 -1.18 -4.98 121.20 124.16 2glw s ILE 19 Ca -0.11 1.76 -0.25 0.00 0.00 0.00 0.00 60.65 62.05 2glw s ILE 19 Cb -0.16 -3.93 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 2glw s ILE 19 CO 0.05 0.06 1.35 -2.16 0.00 0.00 0.00 174.94 174.23 2glw s PRO 20 N -2.26 3.75 0.58 2.79 0.04 -1.26 -4.86 135.00 133.77 2glw s PRO 20 Ca 0.52 2.24 0.27 0.00 0.04 0.00 0.00 61.00 64.07 2glw s PRO 20 Cb -0.17 -2.63 1.62 0.00 0.04 0.00 0.00 34.50 33.36 2glw s PRO 20 CO 0.22 -0.70 2.13 0.00 0.04 0.00 0.00 177.00 178.68 2glw h ALA 21 N 2.35 1.84 -0.40 8.56 0.00 -1.95 -1.71 119.26 127.96 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 0.10 0.78 0.00 0.00 0.00 179.25 180.50 2glw h GLY 22 N 0.00 0.68 1.30 0.00 0.00 -2.00 -2.20 103.07 100.85 2glw h GLY 22 Ca 0.08 -0.43 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 2glw h GLY 22 CO -0.00 0.40 -0.42 -0.84 0.00 0.00 0.00 176.54 175.68 2glw h THR 23 N 0.50 1.29 -0.95 4.70 2.02 -1.68 -2.66 112.91 116.13 2glw h THR 23 Ca 0.12 -1.60 0.09 0.00 0.77 0.00 0.00 66.41 65.79 2glw h THR 23 Cb 0.31 1.50 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 2glw h THR 23 CO 0.00 0.52 0.59 0.03 0.37 0.00 0.00 175.52 177.03 2glw h ARG 24 N 0.62 0.99 0.00 6.66 3.08 -1.34 -1.90 114.38 122.49 2glw h ARG 24 Ca 0.05 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2glw h ARG 24 Cb 0.98 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2glw h ARG 24 CO 0.09 0.65 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.42 2glw h LYS 25 N 1.01 -0.01 -0.92 0.04 3.64 -1.14 0.18 116.57 119.38 2glw h LYS 25 Ca 0.44 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.89 2glw h LYS 25 Cb 0.31 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 2glw h LYS 25 CO -0.22 0.25 0.60 0.35 -2.27 0.00 0.00 179.45 178.16 2glw h PHE 26 N -0.26 1.06 0.00 1.91 3.57 -1.13 -2.18 116.94 119.91 2glw h PHE 26 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2glw h PHE 26 Cb 0.26 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.65 2glw h PHE 26 CO 0.01 0.55 -0.60 0.98 -2.23 0.00 0.00 178.31 177.02 2glw n TYR 27 N -4.49 0.49 -2.61 0.41 4.19 -0.75 -4.97 117.16 109.42 2glw n TYR 27 Ca 0.14 0.14 -0.05 0.00 3.31 0.00 0.00 57.90 61.45 2glw n TYR 27 Cb 0.21 -0.61 0.02 0.00 0.49 0.00 0.00 39.34 39.44 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 0.55 3.68 2.98 0.00 0.50 -5.00 105.19 109.26 2glw n GLY 28 Ca 0.04 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.07 5.00 0.14 -0.61 1.01 -0.38 -5.04 121.20 118.26 2glw s ILE 29 Ca 0.09 1.35 0.07 0.00 0.00 0.00 0.00 60.65 62.16 2glw s ILE 29 Cb -0.04 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 2glw s ILE 29 CO 0.15 0.14 -0.15 -0.70 0.00 0.00 0.00 174.94 174.38 2glw s GLU 30 N 1.62 1.11 0.34 2.79 2.56 -1.26 -4.87 118.70 121.00 2glw s GLU 30 Ca 0.33 -1.31 -0.28 0.00 0.00 0.00 0.00 54.97 53.71 2glw s GLU 30 Cb -0.16 -1.02 -0.12 0.00 2.00 0.00 0.00 34.13 34.83 2glw s GLU 30 CO 0.13 0.19 1.28 0.94 -0.56 0.00 0.00 175.26 177.24 2glw n GLN 31 N 0.38 2.08 0.00 4.30 7.27 -1.26 -1.89 117.38 128.27 2glw n GLN 31 Ca -0.14 0.73 0.00 0.00 0.07 0.00 0.00 57.00 57.66 2glw n GLN 31 Cb 0.57 -2.31 0.00 0.00 2.41 0.00 0.00 30.24 30.92 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 0.79 2.42 3.84 1.69 0.00 -0.98 -5.00 105.19 107.96 2glw n GLY 32 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.62 5.94 -0.06 1.61 1.01 -0.79 -4.82 116.67 117.94 2glw s ASP 33 Ca 0.00 1.57 0.03 0.00 0.71 0.00 0.00 52.55 54.86 2glw s ASP 33 Cb 0.00 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 2glw s ASP 33 CO 0.00 -1.07 -0.12 -0.36 0.21 0.00 0.00 175.17 173.83 2glw s PHE 34 N -2.94 2.77 0.11 4.23 0.40 -1.01 -1.49 117.98 120.06 2glw s PHE 34 Ca 0.58 -0.15 0.05 0.00 -0.60 0.00 0.00 56.93 56.82 2glw s PHE 34 Cb -0.13 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 2glw s PHE 34 CO 0.48 0.19 -0.13 0.14 0.70 0.00 0.00 175.22 176.60 2glw s VAL 35 N -0.66 1.23 -0.17 -0.44 -7.23 -0.70 -0.51 120.40 111.92 2glw s VAL 35 Ca 0.10 -1.68 -0.00 0.00 -1.81 0.00 0.00 61.98 58.59 2glw s VAL 35 Cb -0.11 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.36 2glw s VAL 35 CO 0.01 -0.44 -0.14 -0.70 -0.31 0.00 0.00 175.10 173.52 2glw s GLU 36 N -2.65 3.22 0.05 4.82 2.12 -0.41 -1.76 118.70 124.09 2glw s GLU 36 Ca 0.07 -0.74 -0.00 0.00 0.36 0.00 0.00 54.97 54.67 2glw s GLU 36 Cb -0.05 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.61 2glw s GLU 36 CO 0.02 -0.06 -0.04 -1.50 -0.54 0.00 0.00 175.26 173.15 2glw s ILE 37 N 1.01 0.29 0.02 -3.70 2.07 -0.97 -0.18 121.20 119.74 2glw s ILE 37 Ca -0.01 -1.66 0.04 0.00 -1.41 0.00 0.00 60.65 57.61 2glw s ILE 37 Cb -0.15 -1.31 -0.02 0.00 0.13 0.00 0.00 42.46 41.12 2glw s ILE 37 CO -0.03 -0.87 -0.11 -0.75 -1.91 0.00 0.00 174.94 171.26 2glw s LYS 38 N -3.42 0.82 0.13 3.50 2.36 -0.14 -2.27 119.74 120.72 2glw s LYS 38 Ca 0.03 -0.56 0.08 0.00 -2.55 0.00 0.00 55.97 52.97 2glw s LYS 38 Cb 0.04 -0.79 -0.04 0.00 -1.05 0.00 0.00 37.83 35.99 2glw s LYS 38 CO -0.07 0.20 -0.14 0.96 1.55 0.00 0.00 175.35 177.85 2glw s ILE 39 N -0.61 3.07 -0.04 5.43 -4.36 -0.08 -1.12 121.20 123.49 2glw s ILE 39 Ca 0.01 -1.47 -0.01 0.00 -0.26 0.00 0.00 60.65 58.92 2glw s ILE 39 Cb -0.06 -2.44 0.03 0.00 1.25 0.00 0.00 42.46 41.23 2glw s ILE 39 CO 0.00 0.05 0.03 -0.69 0.24 0.00 0.00 174.94 174.58 2glw s VAL 40 N -1.29 0.08 0.05 8.37 1.01 -0.68 -2.10 120.40 125.83 2glw s VAL 40 Ca 0.20 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.49 2glw s VAL 40 Cb -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 2glw s VAL 40 CO 0.12 0.18 -0.13 -0.75 0.00 0.00 0.00 175.10 174.52 2glw s LYS 41 N 1.76 0.84 -0.18 2.72 2.20 -0.69 -2.68 119.74 123.71 2glw s LYS 41 Ca 0.00 -0.79 -0.08 0.00 -0.36 0.00 0.00 55.97 54.74 2glw s LYS 41 Cb -0.13 -0.83 -0.04 0.00 -1.51 0.00 0.00 37.83 35.32 2glw s LYS 41 CO -0.03 0.20 0.09 -0.47 -0.36 0.00 0.00 175.35 174.77 2glw s TYR 42 N -0.99 3.32 -0.05 4.03 5.04 -1.26 -0.77 117.35 126.67 2glw s TYR 42 Ca -0.00 0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.83 2glw s TYR 42 Cb -0.08 -2.09 0.02 0.00 0.35 0.00 0.00 41.96 40.16 2glw s TYR 42 CO 0.01 0.25 -0.07 -1.21 -1.34 0.00 0.00 175.55 173.19 2glw s GLU 43 N 0.23 1.06 7.94 4.97 2.02 -1.02 -4.94 118.70 128.96 2glw s GLU 43 Ca 0.06 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.84 2glw s GLU 43 Cb -0.12 -0.98 0.00 0.00 0.10 0.00 0.00 34.13 33.13 2glw s GLU 43 CO -0.00 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.65 2glw n GLY 44 N 3.90 3.76 1.09 -1.39 0.00 -1.26 -1.85 105.19 109.44 2glw n GLY 44 Ca -0.24 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 2.99 -4.47 1.61 0.28 -1.26 -4.96 120.64 128.83 2glw n GLU 45 Ca 0.00 -2.48 -0.21 0.00 -0.16 0.00 0.00 57.16 54.30 2glw n GLU 45 Cb 0.00 -1.53 -0.15 0.00 1.43 0.00 0.00 31.44 31.18 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 -1.28 1.08 0.30 3.44 -1.05 -0.77 -5.13 118.70 115.28 2glw s GLU 46 Ca 0.39 -0.36 -0.28 0.00 -0.15 0.00 0.00 54.97 54.56 2glw s GLU 46 Cb 0.22 -1.00 -0.09 0.00 -0.44 0.00 0.00 34.13 32.82 2glw s GLU 46 CO 0.23 0.15 1.07 -1.25 0.95 0.00 0.00 175.26 176.41 2glw s PRO 47 N 0.11 4.57 -0.08 -4.83 0.05 -1.26 -2.42 135.00 131.14 2glw s PRO 47 Ca -0.02 1.71 0.01 0.00 0.05 0.00 0.00 61.00 62.75 2glw s PRO 47 Cb -0.08 -3.07 -0.03 0.00 0.05 0.00 0.00 34.50 31.37 2glw s PRO 47 CO 0.01 0.18 -0.09 0.15 0.05 0.00 0.00 177.00 177.29 2glw s LYS 48 N -1.62 2.86 0.18 4.56 -0.14 0.05 -4.93 119.74 120.70 2glw s LYS 48 Ca 0.47 -0.60 0.02 0.00 -1.36 0.00 0.00 55.97 54.50 2glw s LYS 48 Cb -0.29 -2.58 -0.05 0.00 -1.68 0.00 0.00 37.83 33.23 2glw s LYS 48 CO 0.37 0.56 -0.00 -1.21 -0.76 0.00 0.00 175.35 174.31 2glw s GLU 49 N -0.53 1.12 -0.26 1.68 2.02 -1.26 -1.70 118.70 119.77 2glw s GLU 49 Ca 0.08 -1.54 -0.20 0.00 0.02 0.00 0.00 54.97 53.32 2glw s GLU 49 Cb -0.12 -0.30 0.07 0.00 0.10 0.00 0.00 34.13 33.89 2glw s GLU 49 CO 0.02 -0.12 0.67 0.20 0.02 0.00 0.00 175.26 176.05 2glw s GLY 50 N -3.18 -0.55 -0.03 -1.39 0.00 -0.89 -4.80 107.32 96.48 2glw s GLY 50 Ca 0.24 2.10 0.04 0.00 0.00 0.00 0.00 44.72 47.10 2glw s GLY 50 CO 0.04 1.94 -0.15 -1.59 0.00 0.00 0.00 173.10 173.34 2glw s THR 51 N 0.89 1.27 0.31 0.90 2.01 -1.26 -0.90 115.64 118.87 2glw s THR 51 Ca -0.04 -0.65 -0.15 0.00 0.31 0.00 0.00 61.69 61.16 2glw s THR 51 Cb -0.05 -1.08 0.02 0.00 0.01 0.00 0.00 72.50 71.40 2glw s THR 51 CO -0.08 0.37 0.66 0.72 -0.69 0.00 0.00 174.62 175.60 2glw s PHE 52 N -0.09 0.20 -0.07 4.92 -0.71 -0.96 -5.03 117.98 116.24 2glw s PHE 52 Ca -0.00 -0.68 -0.01 0.00 -1.04 0.00 0.00 56.93 55.20 2glw s PHE 52 Cb -0.09 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 2glw s PHE 52 CO 0.01 -1.28 0.00 0.99 -1.34 0.00 0.00 175.22 173.61 2glw s THR 53 N -3.31 4.31 0.00 -4.49 2.01 -1.26 -2.28 115.64 110.62 2glw s THR 53 Ca 0.18 -0.29 -0.02 0.00 0.31 0.00 0.00 61.69 61.87 2glw s THR 53 Cb -0.04 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 2glw s THR 53 CO 0.11 0.57 0.02 0.00 -0.69 0.00 0.00 174.62 174.63 2glw s ALA 54 N -0.92 -0.03 0.11 7.40 0.00 -0.72 -5.01 121.76 122.58 2glw s ALA 54 Ca 0.14 -0.26 -0.10 0.00 0.00 0.00 0.00 51.96 51.74 2glw s ALA 54 Cb -0.11 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 2glw s ALA 54 CO 0.04 -0.11 0.44 0.50 0.00 0.00 0.00 175.76 176.62 2glw s ARG 55 N -0.89 3.79 -0.08 0.00 3.52 -1.26 -1.72 118.95 122.32 2glw s ARG 55 Ca -0.10 0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.42 2glw s ARG 55 Cb -0.06 -2.95 -0.02 0.00 -1.56 0.00 0.00 34.95 30.36 2glw s ARG 55 CO -0.00 0.52 1.06 0.08 -0.81 0.00 0.00 175.30 176.15 2glw s VAL 56 N -1.46 4.62 0.00 7.11 1.01 -0.55 -4.74 120.40 126.39 2glw s VAL 56 Ca 0.35 1.90 0.00 0.00 0.00 0.00 0.00 61.98 64.24 2glw s VAL 56 Cb -0.14 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2glw s VAL 56 CO 0.19 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2glw n GLY 57 N 3.15 2.41 3.72 4.51 0.00 -0.93 -2.31 105.19 115.75 2glw n GLY 57 Ca 0.09 -2.11 -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 -0.75 2.19 -1.47 1.61 2.12 -1.26 -2.37 118.70 118.76 2glw s GLU 58 Ca 0.00 1.84 0.00 0.00 0.36 0.00 0.00 54.97 57.17 2glw s GLU 58 Cb 0.00 -1.83 0.00 0.00 0.26 0.00 0.00 34.13 32.56 2glw s GLU 58 CO 0.00 -1.82 0.00 1.04 -0.54 0.00 0.00 175.26 173.94 2glw n GLN 59 N -2.57 -1.40 -1.25 4.30 6.02 -1.26 -2.15 117.38 119.07 2glw n GLN 59 Ca 0.14 0.82 -0.07 0.00 -0.01 0.00 0.00 57.00 57.88 2glw n GLN 59 Cb 0.50 -5.12 -0.03 0.00 1.02 0.00 0.00 30.24 26.60 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 -0.33 0.87 3.79 1.08 0.00 -1.00 -4.69 105.19 104.92 2glw n GLY 60 Ca -0.14 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 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 6.97 0.02 1.61 1.04 -0.91 -3.09 113.70 116.42 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 -0.34 -0.03 0.54 0.98 0.00 0.00 173.24 174.39 2glw s VAL 62 N -1.84 0.19 -0.20 5.02 0.11 -0.61 -2.18 120.40 120.90 2glw s VAL 62 Ca 0.58 -0.60 -0.04 0.00 -2.93 0.00 0.00 61.98 58.99 2glw s VAL 62 Cb -0.16 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 2glw s VAL 62 CO 0.21 -0.27 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.05 2glw s ILE 63 N -0.88 3.58 0.34 7.04 -1.09 -1.26 -1.73 121.20 127.21 2glw s ILE 63 Ca -0.08 -0.44 -0.26 0.00 -2.23 0.00 0.00 60.65 57.64 2glw s ILE 63 Cb -0.06 -2.61 -0.10 0.00 -1.58 0.00 0.00 42.46 38.11 2glw s ILE 63 CO -0.00 0.44 0.98 -0.63 -1.23 0.00 0.00 174.94 174.50 2glw s ILE 64 N 1.12 4.03 0.27 2.92 1.01 -1.06 -4.92 121.20 124.57 2glw s ILE 64 Ca 0.02 1.65 -0.30 0.00 0.00 0.00 0.00 60.65 62.02 2glw s ILE 64 Cb -0.15 -3.90 -0.10 0.00 0.01 0.00 0.00 42.46 38.32 2glw s ILE 64 CO 0.00 0.10 1.45 -2.16 0.00 0.00 0.00 174.94 174.33 2glw s PRO 65 N -2.17 4.25 0.42 2.79 0.04 -1.26 -4.85 135.00 134.22 2glw s PRO 65 Ca 0.52 2.34 0.14 0.00 0.04 0.00 0.00 61.00 64.05 2glw s PRO 65 Cb -0.20 -3.09 1.02 0.00 0.04 0.00 0.00 34.50 32.27 2glw s PRO 65 CO 0.26 -0.43 1.93 -0.22 0.04 0.00 0.00 177.00 178.59 2glw h LYS 66 N 4.71 0.44 -0.83 4.56 3.64 -1.94 -1.22 116.57 125.93 2glw h LYS 66 Ca -0.47 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 58.92 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 0.76 0.29 0.55 0.00 -2.27 0.00 0.00 179.45 178.77 2glw h ALA 67 N 1.65 1.48 0.02 5.00 0.00 -2.01 -1.90 119.26 123.51 2glw h ALA 67 Ca 0.35 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 55.00 2glw h ALA 67 Cb 0.73 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2glw h ALA 67 CO -0.11 0.44 -0.95 -0.07 0.00 0.00 0.00 179.25 178.56 2glw h LEU 68 N 1.04 0.25 -0.49 0.00 3.38 -1.61 -2.99 115.31 114.90 2glw h LEU 68 Ca 0.33 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.11 2glw h LEU 68 Cb 0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2glw h LEU 68 CO -0.10 1.06 0.27 0.03 0.09 0.00 0.00 178.44 179.80 2glw h ARG 69 N 0.09 0.52 -0.10 1.13 3.08 -0.98 -1.72 114.38 116.40 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 1.61 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.54 2glw h ARG 69 CO 0.14 0.35 -0.12 -0.44 -1.07 0.00 0.00 179.97 178.83 2glw h ASP 70 N 0.54 0.28 -0.81 7.04 3.32 -1.48 -1.62 116.42 123.69 2glw h ASP 70 Ca 0.21 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 2glw h ASP 70 Cb 0.07 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 2glw h ASP 70 CO -0.12 0.72 0.51 0.58 -1.72 0.00 0.00 179.24 179.21 2glw h VAL 71 N -0.16 1.22 0.00 -1.35 2.07 -1.43 -2.30 116.25 114.30 2glw h VAL 71 Ca 0.01 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2glw h VAL 71 Cb 0.65 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2glw h VAL 71 CO 0.03 0.22 -0.21 0.40 0.02 0.00 0.00 177.57 178.03 2glw h ILE 72 N 1.12 0.00 -1.17 4.57 2.04 -1.31 -3.48 117.51 119.28 2glw h ILE 72 Ca 0.29 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.32 2glw h ILE 72 Cb -0.07 1.65 0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2glw h ILE 72 CO -0.06 0.00 -0.10 0.61 0.00 0.00 0.00 178.15 178.60 2glw n GLY 73 N 1.21 0.48 3.84 5.37 0.00 -0.65 -4.85 105.19 110.59 2glw n GLY 73 Ca 0.04 -0.63 -0.37 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 -2.63 4.91 0.16 -0.61 -1.09 -0.94 -5.06 121.20 115.93 2glw s ILE 74 Ca 0.05 0.86 0.05 0.00 -2.23 0.00 0.00 60.65 59.39 2glw s ILE 74 Cb -0.02 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 2glw s ILE 74 CO 0.06 0.40 -0.12 -0.54 -1.23 0.00 0.00 174.94 173.52 2glw s LYS 75 N -1.55 1.11 0.24 2.79 3.01 -1.26 -4.88 119.74 119.20 2glw s LYS 75 Ca 0.32 -1.44 -0.31 0.00 -1.01 0.00 0.00 55.97 53.52 2glw s LYS 75 Cb -0.16 -0.78 -0.13 0.00 -1.01 0.00 0.00 37.83 35.74 2glw s LYS 75 CO 0.18 0.12 1.40 -2.30 0.51 0.00 0.00 175.35 175.25 2glw n PRO 76 N -0.11 2.01 -0.35 -1.68 -0.02 -1.26 -2.29 135.00 131.30 2glw n PRO 76 Ca -0.11 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2glw n PRO 76 Cb 0.60 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2glw n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2glw n GLY 77 N 2.14 0.73 3.77 -1.23 0.00 -0.65 -4.96 105.19 104.99 2glw n GLY 77 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.62 4.04 -0.04 1.61 2.02 -0.97 -4.88 118.70 119.87 2glw s GLU 78 Ca 0.00 0.04 -0.16 0.00 0.02 0.00 0.00 54.97 54.87 2glw s GLU 78 Cb 0.00 -3.35 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 2glw s GLU 78 CO 0.00 0.41 0.42 0.54 0.02 0.00 0.00 175.26 176.66 2glw s VAL 79 N -0.04 5.08 0.21 2.63 0.11 -1.26 -2.21 120.40 124.92 2glw s VAL 79 Ca 0.16 0.86 0.08 0.00 -2.93 0.00 0.00 61.98 60.15 2glw s VAL 79 Cb -0.13 -3.74 -0.05 0.00 -1.53 0.00 0.00 36.38 30.93 2glw s VAL 79 CO 0.04 0.49 -0.15 0.27 -3.33 0.00 0.00 175.10 172.42 2glw s ILE 80 N -0.47 1.81 -0.17 7.04 -4.36 -0.23 -4.93 121.20 119.88 2glw s ILE 80 Ca 0.24 -2.20 -0.12 0.00 -0.26 0.00 0.00 60.65 58.31 2glw s ILE 80 Cb -0.16 -2.05 -0.05 0.00 1.25 0.00 0.00 42.46 41.46 2glw s ILE 80 CO 0.12 -0.56 0.22 -0.70 0.24 0.00 0.00 174.94 174.26 2glw s GLU 81 N -3.56 4.15 -0.11 0.37 2.12 -1.09 -2.46 118.70 118.12 2glw s GLU 81 Ca 0.22 -0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.53 2glw s GLU 81 Cb -0.02 -3.40 -0.01 0.00 0.26 0.00 0.00 34.13 30.97 2glw s GLU 81 CO 0.07 0.33 -0.19 0.08 -0.54 0.00 0.00 175.26 175.01 2glw s VAL 82 N 0.24 2.55 -0.12 3.70 1.01 -0.27 -1.68 120.40 125.84 2glw s VAL 82 Ca 0.13 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2glw s VAL 82 Cb -0.12 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 2glw s VAL 82 CO 0.02 0.55 -0.19 -0.76 0.00 0.00 0.00 175.10 174.71 2glw s LEU 83 N 0.27 2.38 0.25 3.92 1.43 -0.27 -2.31 118.68 124.35 2glw s LEU 83 Ca -0.13 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.22 2glw s LEU 83 Cb -0.17 -1.50 -0.09 0.00 0.03 0.00 0.00 46.19 44.46 2glw s LEU 83 CO 0.07 0.16 0.94 -0.76 0.23 0.00 0.00 176.35 176.99 2glw s LEU 84 N 0.36 4.60 -0.09 1.79 1.43 -0.83 -0.97 118.68 124.97 2glw s LEU 84 Ca -0.15 1.92 0.07 0.00 -1.03 0.00 0.00 54.13 54.95 2glw s LEU 84 Cb -0.17 -3.67 -0.10 0.00 0.03 0.00 0.00 46.19 42.27 2glw s LEU 84 CO 0.07 0.12 0.02 0.18 0.23 0.00 0.00 176.35 176.98 2glw n LEU 85 N 1.33 0.14 -3.87 1.79 4.77 0.75 -2.11 117.00 119.80 2glw n LEU 85 Ca -0.01 -0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.93 2glw n LEU 85 Cb 0.48 0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.77 2glw n LEU 85 CO 0.49 0.23 0.78 -0.83 -1.33 0.00 0.00 177.39 176.73 2glw s GLY 86 N -4.11 0.13 0.00 -0.72 0.00 -1.00 -4.77 107.32 96.86 2glw s GLY 86 Ca -0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 44.72 44.29 2glw s GLY 86 CO 0.35 2.06 0.01 -2.38 0.00 0.00 0.00 173.10 173.15 2glw s HIS 87 N -2.22 0.11 0.00 1.90 -3.43 -1.26 -1.28 115.29 109.11 2glw s HIS 87 Ca 0.21 -0.23 0.04 0.00 -0.80 0.00 0.00 55.06 54.28 2glw s HIS 87 Cb -0.03 -0.09 -0.01 0.00 -1.43 0.00 0.00 32.58 31.02 2glw s HIS 87 CO 0.06 -0.12 -0.12 0.71 -2.00 0.00 0.00 174.74 173.27 2glw s TYR 88 N -0.81 1.03 0.19 0.38 2.02 0.33 -4.95 117.35 115.54 2glw s TYR 88 Ca -0.09 -0.23 0.09 0.00 -0.37 0.00 0.00 57.07 56.48 2glw s TYR 88 Cb -0.05 -0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.81 2glw s TYR 88 CO -0.00 -0.01 -0.19 0.15 -1.57 0.00 0.00 175.55 173.93 2glw s LYS 89 N -0.46 1.37 0.34 -0.62 1.02 -1.26 -2.39 119.74 117.73 2glw s LYS 89 Ca 0.03 -1.50 -0.28 0.00 0.02 0.00 0.00 55.97 54.24 2glw s LYS 89 Cb -0.05 -1.42 -0.12 0.00 -0.52 0.00 0.00 37.83 35.72 2glw s LYS 89 CO -0.00 0.28 1.32 -2.30 -0.92 0.00 0.00 175.35 173.73 2glw n PRO 90 N 0.05 2.17 -4.15 -1.68 -0.02 -1.26 -5.01 135.00 125.10 2glw n PRO 90 Ca -0.11 0.76 -0.11 0.00 -2.02 0.00 0.00 63.50 62.02 2glw n PRO 90 Cb 0.58 -2.36 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 2glw n PRO 90 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2glw s ARG 91 N -1.77 0.77 0.00 -0.52 1.70 -1.26 -5.22 118.95 112.65 2glw s ARG 91 Ca 0.56 -1.23 0.10 0.00 -0.47 0.00 0.00 55.73 54.69 2glw s ARG 91 Cb -0.57 -0.19 0.08 0.00 -0.57 0.00 0.00 34.95 33.70 2glw s ARG 91 CO 0.61 -0.01 0.80 -1.71 -1.08 0.00 0.00 175.30 173.91