#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 7.54 -0.04 7.83 1.01 -1.26 -5.06 116.67 126.69 2glw s ASP 2 Ca 0.00 1.83 0.03 0.00 0.71 0.00 0.00 52.55 55.12 2glw s ASP 2 Cb 0.00 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2glw s ASP 2 CO 0.00 0.11 -0.13 0.54 0.21 0.00 0.00 175.17 175.89 2glw s VAL 3 N -0.82 1.15 -0.39 -1.27 0.11 -1.26 -4.68 120.40 113.24 2glw s VAL 3 Ca 0.41 -0.54 0.23 0.00 -2.93 0.00 0.00 61.98 59.15 2glw s VAL 3 Cb -0.24 -1.01 0.25 0.00 -1.53 0.00 0.00 36.38 33.84 2glw s VAL 3 CO 0.30 0.34 1.46 -0.07 -3.33 0.00 0.00 175.10 173.80 2glw h LEU 4 N 6.45 0.00 -7.00 2.54 3.38 -1.73 -3.47 115.31 115.48 2glw h LEU 4 Ca -0.32 -0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.79 2glw h LEU 4 Cb 1.18 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.71 2glw h LEU 4 CO 0.48 0.00 0.67 0.00 0.09 0.00 0.00 178.44 179.68 2glw s ALA 5 N -3.25 -1.98 -0.07 1.53 0.00 -1.26 -4.84 121.76 111.90 2glw s ALA 5 Ca 0.05 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.57 2glw s ALA 5 Cb 0.06 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.65 2glw s ALA 5 CO 0.70 -0.41 -0.04 0.21 0.00 0.00 0.00 175.76 176.21 2glw s LYS 6 N -1.68 0.95 0.14 0.00 2.20 -1.26 -1.94 119.74 118.15 2glw s LYS 6 Ca 0.04 -0.09 -0.13 0.00 -0.36 0.00 0.00 55.97 55.43 2glw s LYS 6 Cb -0.01 -1.05 0.01 0.00 -1.51 0.00 0.00 37.83 35.28 2glw s LYS 6 CO -0.03 -0.17 0.35 -0.59 -0.36 0.00 0.00 175.35 174.55 2glw s PHE 7 N 1.34 0.06 -0.06 4.03 -0.71 -0.98 -5.01 117.98 116.65 2glw s PHE 7 Ca -0.04 -0.42 0.03 0.00 -1.04 0.00 0.00 56.93 55.46 2glw s PHE 7 Cb -0.14 0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.78 2glw s PHE 7 CO -0.03 -0.72 -0.13 -1.01 -1.34 0.00 0.00 175.22 171.99 2glw s HIS 8 N -3.88 2.75 0.14 3.49 3.76 -1.26 -0.99 115.29 119.30 2glw s HIS 8 Ca 0.09 -0.17 -0.13 0.00 -0.15 0.00 0.00 55.06 54.70 2glw s HIS 8 Cb 0.02 -1.66 0.01 0.00 1.11 0.00 0.00 32.58 32.06 2glw s HIS 8 CO -0.06 0.18 0.35 -0.08 -0.85 0.00 0.00 174.74 174.27 2glw s THR 9 N -0.65 0.08 0.24 1.30 -1.32 -1.00 -4.97 115.64 109.31 2glw s THR 9 Ca 0.10 -0.97 0.09 0.00 -1.21 0.00 0.00 61.69 59.70 2glw s THR 9 Cb -0.11 -1.47 -0.04 0.00 -1.51 0.00 0.00 72.50 69.37 2glw s THR 9 CO 0.01 -0.34 0.03 0.28 -2.21 0.00 0.00 174.62 172.39 2glw s THR 10 N -3.87 3.68 0.12 5.08 -1.32 -1.26 -1.00 115.64 117.07 2glw s THR 10 Ca 0.08 -1.71 -0.30 0.00 -1.21 0.00 0.00 61.69 58.55 2glw s THR 10 Cb 0.02 -2.95 -0.06 0.00 -1.51 0.00 0.00 72.50 68.01 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 -2.15 4.41 0.44 5.08 1.01 -0.90 -4.77 120.40 123.52 2glw s VAL 11 Ca 0.31 2.00 0.07 0.00 0.00 0.00 0.00 61.98 64.36 2glw s VAL 11 Cb -0.07 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 2glw s VAL 11 CO 0.20 0.31 0.21 -1.00 0.00 0.00 0.00 175.10 174.82 2glw s HIS 12 N -0.02 2.41 0.68 5.22 3.76 -0.88 -1.62 115.29 124.85 2glw s HIS 12 Ca 0.47 -0.65 -0.17 0.00 -0.15 0.00 0.00 55.06 54.57 2glw s HIS 12 Cb -0.24 -1.94 -0.09 0.00 1.11 0.00 0.00 32.58 31.42 2glw s HIS 12 CO 0.30 0.08 0.19 0.54 -0.85 0.00 0.00 174.74 175.00 2glw n ARG 13 N -1.33 0.21 -0.89 1.40 1.74 -1.26 -1.34 116.66 115.19 2glw n ARG 13 Ca -0.02 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2glw n ARG 13 Cb 0.65 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 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 -2.07 0.00 -1.05 0.55 5.41 -1.26 -2.32 119.36 118.63 2glw n ILE 14 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.81 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 0.54 3.81 7.39 0.00 -0.45 -4.81 105.19 111.46 2glw n GLY 15 Ca 0.00 -0.58 -0.37 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 -1.48 4.30 0.10 1.61 3.52 -0.98 -2.46 118.95 123.55 2glw s ARG 16 Ca 0.00 0.91 0.03 0.00 -0.13 0.00 0.00 55.73 56.55 2glw s ARG 16 Cb 0.00 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 2glw s ARG 16 CO 0.00 0.44 -0.10 0.96 -0.81 0.00 0.00 175.30 175.80 2glw s ILE 17 N -1.43 0.90 -0.12 4.11 -4.36 -0.84 -2.07 121.20 117.39 2glw s ILE 17 Ca 0.41 -1.64 0.01 0.00 -0.26 0.00 0.00 60.65 59.17 2glw s ILE 17 Cb -0.18 -1.36 -0.01 0.00 1.25 0.00 0.00 42.46 42.17 2glw s ILE 17 CO 0.22 -0.58 -0.17 -0.63 0.24 0.00 0.00 174.94 174.02 2glw s ILE 18 N -2.50 2.64 0.34 8.37 -1.09 -1.26 -1.80 121.20 125.90 2glw s ILE 18 Ca 0.05 -0.81 -0.25 0.00 -2.23 0.00 0.00 60.65 57.41 2glw s ILE 18 Cb -0.02 -2.08 -0.10 0.00 -1.58 0.00 0.00 42.46 38.68 2glw s ILE 18 CO -0.00 0.54 0.96 -0.63 -1.23 0.00 0.00 174.94 174.57 2glw s ILE 19 N 0.43 4.17 0.44 2.92 1.01 -1.16 -4.98 121.20 124.02 2glw s ILE 19 Ca -0.13 1.74 -0.25 0.00 0.00 0.00 0.00 60.65 62.01 2glw s ILE 19 Cb -0.17 -3.93 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 2glw s ILE 19 CO 0.06 0.08 1.35 -2.16 0.00 0.00 0.00 174.94 174.26 2glw s PRO 20 N -2.22 3.76 0.58 2.79 0.04 -1.26 -4.87 135.00 133.82 2glw s PRO 20 Ca 0.52 2.24 0.27 0.00 0.04 0.00 0.00 61.00 64.08 2glw s PRO 20 Cb -0.18 -2.64 1.60 0.00 0.04 0.00 0.00 34.50 33.31 2glw s PRO 20 CO 0.23 -0.69 2.10 0.00 0.04 0.00 0.00 177.00 178.67 2glw h ALA 21 N 2.38 1.90 -0.36 8.56 0.00 -1.95 -1.82 119.26 127.97 2glw h ALA 21 Ca -0.50 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2glw h ALA 21 Cb 1.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2glw h ALA 21 CO 0.61 -0.30 0.09 0.78 0.00 0.00 0.00 179.25 180.44 2glw h GLY 22 N 0.00 0.61 1.38 0.00 0.00 -2.01 -2.56 103.07 100.49 2glw h GLY 22 Ca 0.10 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 2glw h GLY 22 CO -0.00 0.35 -0.38 -0.84 0.00 0.00 0.00 176.54 175.67 2glw h THR 23 N 0.42 1.29 -0.83 4.70 2.02 -1.70 -2.84 112.91 115.97 2glw h THR 23 Ca 0.11 -1.54 0.08 0.00 0.77 0.00 0.00 66.41 65.83 2glw h THR 23 Cb 0.29 1.47 -0.07 0.00 -1.74 0.00 0.00 68.15 68.10 2glw h THR 23 CO -0.00 0.50 0.50 0.03 0.37 0.00 0.00 175.52 176.91 2glw h ARG 24 N 0.57 0.85 0.01 6.66 3.08 -1.33 -1.96 114.38 122.27 2glw h ARG 24 Ca 0.05 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2glw h ARG 24 Cb 0.91 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2glw h ARG 24 CO 0.08 0.56 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.32 2glw h LYS 25 N 0.88 -0.02 -0.87 0.04 1.63 -1.29 -0.47 116.57 116.48 2glw h LYS 25 Ca 0.38 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.25 2glw h LYS 25 Cb 0.25 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.83 2glw h LYS 25 CO -0.20 0.30 0.56 0.35 -3.45 0.00 0.00 179.45 177.01 2glw h PHE 26 N -0.34 0.96 0.00 1.91 3.57 -1.26 -1.83 116.94 119.95 2glw h PHE 26 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2glw h PHE 26 Cb 0.33 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2glw h PHE 26 CO 0.03 0.49 -0.49 0.98 -2.23 0.00 0.00 178.31 177.09 2glw n TYR 27 N -4.50 0.56 -2.61 0.41 4.19 -0.76 -4.96 117.16 109.48 2glw n TYR 27 Ca 0.13 0.16 -0.04 0.00 3.31 0.00 0.00 57.90 61.46 2glw n TYR 27 Cb 0.23 -0.67 0.02 0.00 0.49 0.00 0.00 39.34 39.42 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 1.35 0.56 3.71 2.98 0.00 -0.30 -5.01 105.19 108.49 2glw n GLY 28 Ca 0.04 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 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 5.09 0.17 -0.61 1.01 -0.52 -5.05 121.20 118.23 2glw s ILE 29 Ca 0.09 1.26 0.07 0.00 0.00 0.00 0.00 60.65 62.06 2glw s ILE 29 Cb -0.04 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 2glw s ILE 29 CO 0.15 0.26 -0.14 -1.61 0.00 0.00 0.00 174.94 173.59 2glw s GLU 30 N 0.90 1.20 0.36 2.79 2.02 -1.26 -4.87 118.70 119.84 2glw s GLU 30 Ca 0.33 -1.47 -0.28 0.00 0.02 0.00 0.00 54.97 53.56 2glw s GLU 30 Cb -0.17 -0.99 -0.12 0.00 0.10 0.00 0.00 34.13 32.96 2glw s GLU 30 CO 0.15 0.17 1.36 0.94 0.02 0.00 0.00 175.26 177.90 2glw n GLN 31 N -0.09 2.33 0.00 1.61 7.27 -1.26 -2.03 117.38 125.21 2glw n GLN 31 Ca -0.10 0.82 0.00 0.00 0.07 0.00 0.00 57.00 57.78 2glw n GLN 31 Cb 0.59 -2.46 0.00 0.00 2.41 0.00 0.00 30.24 30.79 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 0.65 2.38 3.83 1.69 0.00 -0.95 -5.01 105.19 107.78 2glw n GLY 32 Ca 0.03 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 -1.64 5.88 -0.07 1.61 1.01 -0.86 -4.82 116.67 117.78 2glw s ASP 33 Ca 0.00 1.60 0.01 0.00 0.71 0.00 0.00 52.55 54.87 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 -1.10 -0.09 -0.36 0.21 0.00 0.00 175.17 173.83 2glw s PHE 34 N -2.88 2.88 0.11 4.23 0.40 -0.95 -1.48 117.98 120.30 2glw s PHE 34 Ca 0.59 -0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.89 2glw s PHE 34 Cb -0.13 -1.72 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 2glw s PHE 34 CO 0.47 0.25 -0.13 0.14 0.70 0.00 0.00 175.22 176.64 2glw s VAL 35 N -0.65 1.22 -0.17 -0.44 -7.23 -0.69 -0.64 120.40 111.80 2glw s VAL 35 Ca 0.10 -1.62 -0.01 0.00 -1.81 0.00 0.00 61.98 58.64 2glw s VAL 35 Cb -0.11 -1.41 -0.00 0.00 0.56 0.00 0.00 36.38 35.42 2glw s VAL 35 CO 0.02 -0.40 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.57 2glw s GLU 36 N -2.50 3.22 0.05 4.82 2.12 -0.37 -1.76 118.70 124.27 2glw s GLU 36 Ca 0.06 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.65 2glw s GLU 36 Cb -0.06 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 2glw s GLU 36 CO 0.02 -0.06 -0.03 -1.50 -0.54 0.00 0.00 175.26 173.15 2glw s ILE 37 N 1.02 0.20 0.03 -3.70 2.07 -0.92 -0.06 121.20 119.84 2glw s ILE 37 Ca -0.01 -1.66 0.03 0.00 -1.41 0.00 0.00 60.65 57.60 2glw s ILE 37 Cb -0.15 -1.32 -0.02 0.00 0.13 0.00 0.00 42.46 41.11 2glw s ILE 37 CO -0.03 -0.92 -0.10 -0.75 -1.91 0.00 0.00 174.94 171.23 2glw s LYS 38 N -3.52 0.70 0.13 3.50 2.20 -0.15 -2.09 119.74 120.50 2glw s LYS 38 Ca 0.03 -0.65 0.08 0.00 -0.36 0.00 0.00 55.97 55.08 2glw s LYS 38 Cb 0.05 -0.63 -0.04 0.00 -1.51 0.00 0.00 37.83 35.70 2glw s LYS 38 CO -0.09 0.15 -0.14 0.96 -0.36 0.00 0.00 175.35 175.88 2glw s ILE 39 N -0.87 3.06 -0.03 5.43 -4.36 -0.18 -1.19 121.20 123.06 2glw s ILE 39 Ca -0.02 -1.48 -0.01 0.00 -0.26 0.00 0.00 60.65 58.88 2glw s ILE 39 Cb -0.07 -2.44 0.03 0.00 1.25 0.00 0.00 42.46 41.22 2glw s ILE 39 CO 0.01 0.05 0.03 -0.69 0.24 0.00 0.00 174.94 174.58 2glw s VAL 40 N -1.30 0.03 0.02 8.37 1.01 -0.81 -1.98 120.40 125.73 2glw s VAL 40 Ca 0.21 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.47 2glw s VAL 40 Cb -0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 2glw s VAL 40 CO 0.12 0.15 -0.11 -0.75 0.00 0.00 0.00 175.10 174.52 2glw s LYS 41 N 1.53 0.78 -0.18 2.72 2.20 -0.65 -2.71 119.74 123.42 2glw s LYS 41 Ca -0.03 -0.60 -0.07 0.00 -0.36 0.00 0.00 55.97 54.91 2glw s LYS 41 Cb -0.13 -0.73 -0.04 0.00 -1.51 0.00 0.00 37.83 35.42 2glw s LYS 41 CO -0.03 0.18 0.04 -0.47 -0.36 0.00 0.00 175.35 174.72 2glw s TYR 42 N -0.72 3.20 -0.05 4.03 5.04 -1.26 -0.87 117.35 126.73 2glw s TYR 42 Ca 0.00 -0.03 0.01 0.00 -2.44 0.00 0.00 57.07 54.62 2glw s TYR 42 Cb -0.07 -2.06 0.02 0.00 0.35 0.00 0.00 41.96 40.20 2glw s TYR 42 CO 0.01 0.09 -0.06 -1.83 -1.34 0.00 0.00 175.55 172.42 2glw s GLU 43 N 0.44 0.96 7.91 4.97 -1.05 -1.11 -4.98 118.70 125.85 2glw s GLU 43 Ca 0.02 -0.16 0.00 0.00 -0.15 0.00 0.00 54.97 54.68 2glw s GLU 43 Cb -0.13 -0.91 0.00 0.00 -0.44 0.00 0.00 34.13 32.65 2glw s GLU 43 CO 0.01 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.57 2glw n GLY 44 N 3.98 3.75 1.20 -3.83 0.00 -1.26 -1.89 105.19 107.15 2glw n GLY 44 Ca -0.25 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 3.31 -4.11 1.61 0.28 -1.26 -4.94 120.64 129.52 2glw n GLU 45 Ca 0.00 -2.65 -0.24 0.00 -0.16 0.00 0.00 57.16 54.10 2glw n GLU 45 Cb 0.00 -1.70 -0.17 0.00 1.43 0.00 0.00 31.44 31.00 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 -1.75 1.31 0.21 3.44 -1.05 -0.79 -5.12 118.70 114.94 2glw s GLU 46 Ca 0.42 -0.22 -0.30 0.00 -0.15 0.00 0.00 54.97 54.73 2glw s GLU 46 Cb 0.27 -1.31 -0.08 0.00 -0.44 0.00 0.00 34.13 32.57 2glw s GLU 46 CO 0.20 -0.16 1.10 -2.14 0.95 0.00 0.00 175.26 175.21 2glw s PRO 47 N 1.32 4.61 -0.08 -4.83 0.02 -1.26 -2.74 135.00 132.04 2glw s PRO 47 Ca -0.03 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.73 2glw s PRO 47 Cb -0.14 -3.25 -0.03 0.00 0.02 0.00 0.00 34.50 31.10 2glw s PRO 47 CO -0.03 0.12 -0.07 0.15 -0.33 0.00 0.00 177.00 176.83 2glw s LYS 48 N -0.67 2.91 0.17 5.54 -0.14 -0.04 -4.96 119.74 122.54 2glw s LYS 48 Ca 0.48 -0.56 0.02 0.00 -1.36 0.00 0.00 55.97 54.54 2glw s LYS 48 Cb -0.30 -2.63 -0.05 0.00 -1.68 0.00 0.00 37.83 33.18 2glw s LYS 48 CO 0.36 0.57 -0.01 -1.21 -0.76 0.00 0.00 175.35 174.30 2glw s GLU 49 N -0.54 1.08 -0.26 1.68 2.02 -1.26 -1.64 118.70 119.77 2glw s GLU 49 Ca 0.08 -1.51 -0.20 0.00 0.02 0.00 0.00 54.97 53.35 2glw s GLU 49 Cb -0.12 -0.26 0.07 0.00 0.10 0.00 0.00 34.13 33.92 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 -3.16 -0.55 -0.03 -1.39 0.00 -0.84 -4.86 107.32 96.49 2glw s GLY 50 Ca 0.23 2.09 0.06 0.00 0.00 0.00 0.00 44.72 47.10 2glw s GLY 50 CO 0.03 1.93 -0.23 -1.59 0.00 0.00 0.00 173.10 173.24 2glw s THR 51 N 0.87 1.82 0.30 0.90 2.01 -1.26 -1.01 115.64 119.27 2glw s THR 51 Ca -0.04 -0.96 -0.15 0.00 0.31 0.00 0.00 61.69 60.85 2glw s THR 51 Cb -0.05 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.95 2glw s THR 51 CO -0.07 0.51 0.62 0.72 -0.69 0.00 0.00 174.62 175.72 2glw s PHE 52 N -0.33 0.21 -0.08 4.92 -0.71 -0.89 -5.02 117.98 116.08 2glw s PHE 52 Ca 0.03 -0.66 -0.02 0.00 -1.04 0.00 0.00 56.93 55.24 2glw s PHE 52 Cb -0.11 0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 42.14 2glw s PHE 52 CO 0.01 -1.22 0.01 0.99 -1.34 0.00 0.00 175.22 173.67 2glw s THR 53 N -3.51 4.37 0.00 -4.49 2.01 -1.26 -2.17 115.64 110.59 2glw s THR 53 Ca 0.18 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 2glw s THR 53 Cb -0.03 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 2glw s THR 53 CO 0.10 0.59 0.02 0.00 -0.69 0.00 0.00 174.62 174.64 2glw s ALA 54 N -0.91 -0.02 0.08 7.40 0.00 -0.73 -5.01 121.76 122.58 2glw s ALA 54 Ca 0.14 -0.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 2glw s ALA 54 Cb -0.11 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 2glw s ALA 54 CO 0.03 -0.08 0.42 0.50 0.00 0.00 0.00 175.76 176.63 2glw s ARG 55 N -0.65 3.80 -0.08 0.00 3.52 -1.26 -1.71 118.95 122.58 2glw s ARG 55 Ca -0.07 0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 55.47 2glw s ARG 55 Cb -0.04 -3.00 -0.02 0.00 -1.56 0.00 0.00 34.95 30.32 2glw s ARG 55 CO -0.00 0.56 1.07 0.08 -0.81 0.00 0.00 175.30 176.19 2glw s VAL 56 N -1.39 4.61 0.00 7.11 1.01 -0.55 -4.74 120.40 126.46 2glw s VAL 56 Ca 0.33 1.89 0.00 0.00 0.00 0.00 0.00 61.98 64.20 2glw s VAL 56 Cb -0.14 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2glw s VAL 56 CO 0.18 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.90 2glw n GLY 57 N 3.17 2.36 3.72 4.51 0.00 -0.91 -2.23 105.19 115.81 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 2.15 -1.48 1.61 2.12 -1.26 -2.38 118.70 118.62 2glw s GLU 58 Ca 0.00 1.82 0.00 0.00 0.36 0.00 0.00 54.97 57.15 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 -1.84 0.00 1.04 -0.54 0.00 0.00 175.26 173.92 2glw n GLN 59 N -2.63 -1.40 -1.23 4.30 6.02 -1.26 -2.17 117.38 119.01 2glw n GLN 59 Ca 0.14 0.83 -0.06 0.00 -0.01 0.00 0.00 57.00 57.89 2glw n GLN 59 Cb 0.50 -5.13 -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 0.83 3.78 1.08 0.00 -1.00 -4.70 105.19 104.85 2glw n GLY 60 Ca -0.15 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 2glw n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2glw s SER 61 N -2.92 7.09 0.02 1.61 0.01 -0.92 -3.01 113.70 115.57 2glw s SER 61 Ca 0.00 1.92 0.01 0.00 1.31 0.00 0.00 55.95 59.19 2glw s SER 61 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 2glw s SER 61 CO 0.00 -0.25 -0.04 0.54 0.41 0.00 0.00 173.24 173.90 2glw s VAL 62 N -1.66 0.25 -0.20 3.43 0.11 -0.74 -2.15 120.40 119.43 2glw s VAL 62 Ca 0.54 -0.65 -0.04 0.00 -2.93 0.00 0.00 61.98 58.90 2glw s VAL 62 Cb -0.20 -0.31 -0.01 0.00 -1.53 0.00 0.00 36.38 34.32 2glw s VAL 62 CO 0.25 -0.26 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.09 2glw s ILE 63 N -0.91 3.55 0.31 7.04 -1.09 -1.26 -1.99 121.20 126.85 2glw s ILE 63 Ca -0.08 -0.45 -0.27 0.00 -2.23 0.00 0.00 60.65 57.62 2glw s ILE 63 Cb -0.07 -2.60 -0.10 0.00 -1.58 0.00 0.00 42.46 38.12 2glw s ILE 63 CO -0.00 0.44 0.97 -0.63 -1.23 0.00 0.00 174.94 174.49 2glw s ILE 64 N 1.16 4.04 0.23 2.92 1.01 -1.03 -4.92 121.20 124.61 2glw s ILE 64 Ca 0.02 1.80 -0.30 0.00 0.00 0.00 0.00 60.65 62.17 2glw s ILE 64 Cb -0.14 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 2glw s ILE 64 CO -0.00 0.24 1.49 -2.16 0.00 0.00 0.00 174.94 174.51 2glw s PRO 65 N -1.82 4.24 0.43 2.79 0.04 -1.26 -4.84 135.00 134.58 2glw s PRO 65 Ca 0.48 2.35 0.15 0.00 0.04 0.00 0.00 61.00 64.02 2glw s PRO 65 Cb -0.22 -3.12 1.04 0.00 0.04 0.00 0.00 34.50 32.24 2glw s PRO 65 CO 0.28 -0.50 1.94 -0.22 0.04 0.00 0.00 177.00 178.55 2glw h LYS 66 N 5.56 0.40 -0.83 4.56 3.64 -1.94 -1.26 116.57 126.71 2glw h LYS 66 Ca -0.45 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 58.94 2glw h LYS 66 Cb 1.21 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 2glw h LYS 66 CO 0.82 0.27 0.54 0.00 -2.27 0.00 0.00 179.45 178.81 2glw h ALA 67 N 1.66 1.50 0.02 5.00 0.00 -2.01 -1.69 119.26 123.74 2glw h ALA 67 Ca 0.33 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.99 2glw h ALA 67 Cb 0.72 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2glw h ALA 67 CO -0.10 0.42 -0.94 -0.07 0.00 0.00 0.00 179.25 178.56 2glw h LEU 68 N 1.02 0.24 -0.51 0.00 3.38 -1.62 -3.01 115.31 114.81 2glw h LEU 68 Ca 0.33 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.13 2glw h LEU 68 Cb 0.04 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2glw h LEU 68 CO -0.10 1.05 0.28 0.03 0.09 0.00 0.00 178.44 179.79 2glw h ARG 69 N 0.09 0.53 -0.08 1.13 3.08 -0.95 -1.68 114.38 116.50 2glw h ARG 69 Ca -0.05 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 2glw h ARG 69 Cb 1.60 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.53 2glw h ARG 69 CO 0.14 0.35 -0.10 0.22 -1.07 0.00 0.00 179.97 179.51 2glw h ASP 70 N 0.55 0.23 -0.78 7.04 3.58 -1.47 -1.60 116.42 123.96 2glw h ASP 70 Ca 0.22 -0.51 -0.00 0.00 0.42 0.00 0.00 57.03 57.16 2glw h ASP 70 Cb 0.09 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.04 2glw h ASP 70 CO -0.13 0.70 0.49 0.58 -2.88 0.00 0.00 179.24 177.99 2glw h VAL 71 N -0.22 1.22 0.00 2.25 2.07 -1.43 -2.33 116.25 117.80 2glw h VAL 71 Ca 0.01 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2glw h VAL 71 Cb 0.64 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2glw h VAL 71 CO 0.02 0.22 -0.24 0.40 0.02 0.00 0.00 177.57 178.00 2glw h ILE 72 N 1.08 0.00 -1.03 4.57 2.04 -1.31 -3.48 117.51 119.38 2glw h ILE 72 Ca 0.28 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 2glw h ILE 72 Cb -0.07 1.61 0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2glw h ILE 72 CO -0.06 0.00 -0.08 0.61 0.00 0.00 0.00 178.15 178.62 2glw n GLY 73 N 1.22 0.52 3.84 5.37 0.00 -0.65 -4.83 105.19 110.66 2glw n GLY 73 Ca 0.04 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.61 4.88 0.20 -0.61 -1.09 -0.93 -5.06 121.20 115.98 2glw s ILE 74 Ca 0.04 0.82 0.04 0.00 -2.23 0.00 0.00 60.65 59.32 2glw s ILE 74 Cb -0.02 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 37.07 2glw s ILE 74 CO 0.05 0.30 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.48 2glw s LYS 75 N -1.81 1.23 0.28 2.79 1.02 -1.26 -4.88 119.74 117.11 2glw s LYS 75 Ca 0.35 -1.59 -0.30 0.00 0.02 0.00 0.00 55.97 54.45 2glw s LYS 75 Cb -0.15 -0.61 -0.12 0.00 -0.52 0.00 0.00 37.83 36.43 2glw s LYS 75 CO 0.19 -0.03 1.62 -0.35 -0.92 0.00 0.00 175.35 175.86 2glw n PRO 76 N -0.33 2.74 -0.41 -1.68 -0.04 -1.26 -2.42 135.00 131.60 2glw n PRO 76 Ca -0.07 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 2glw n PRO 76 Cb 0.63 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 2glw n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2glw n GLY 77 N 2.40 0.71 3.76 0.55 0.00 -0.64 -4.96 105.19 107.01 2glw n GLY 77 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.59 4.09 -0.04 1.61 2.02 -1.01 -4.87 118.70 119.91 2glw s GLU 78 Ca 0.00 0.03 -0.15 0.00 0.02 0.00 0.00 54.97 54.87 2glw s GLU 78 Cb 0.00 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.81 2glw s GLU 78 CO 0.00 0.37 0.40 0.54 0.02 0.00 0.00 175.26 176.59 2glw s VAL 79 N 0.09 5.09 0.20 2.63 0.11 -1.26 -2.11 120.40 125.15 2glw s VAL 79 Ca 0.15 0.82 0.08 0.00 -2.93 0.00 0.00 61.98 60.10 2glw s VAL 79 Cb -0.13 -3.72 -0.05 0.00 -1.53 0.00 0.00 36.38 30.96 2glw s VAL 79 CO 0.04 0.52 -0.15 0.27 -3.33 0.00 0.00 175.10 172.44 2glw s ILE 80 N -0.61 1.75 -0.17 7.04 -4.36 -0.17 -4.91 121.20 119.76 2glw s ILE 80 Ca 0.23 -2.18 -0.12 0.00 -0.26 0.00 0.00 60.65 58.32 2glw s ILE 80 Cb -0.16 -2.02 -0.05 0.00 1.25 0.00 0.00 42.46 41.48 2glw s ILE 80 CO 0.12 -0.57 0.24 -0.70 0.24 0.00 0.00 174.94 174.26 2glw s GLU 81 N -3.56 4.20 -0.12 0.37 2.12 -1.10 -2.39 118.70 118.22 2glw s GLU 81 Ca 0.22 -0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.54 2glw s GLU 81 Cb -0.01 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 2glw s GLU 81 CO 0.07 0.29 -0.15 0.08 -0.54 0.00 0.00 175.26 175.00 2glw s VAL 82 N 0.35 2.88 -0.12 3.70 1.01 -0.16 -1.93 120.40 126.14 2glw s VAL 82 Ca 0.14 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.41 2glw s VAL 82 Cb -0.12 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 2glw s VAL 82 CO 0.02 0.53 -0.18 -0.76 0.00 0.00 0.00 175.10 174.71 2glw s LEU 83 N 0.35 2.39 0.25 3.92 1.43 -0.33 -2.32 118.68 124.37 2glw s LEU 83 Ca -0.12 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.23 2glw s LEU 83 Cb -0.16 -1.51 -0.09 0.00 0.03 0.00 0.00 46.19 44.46 2glw s LEU 83 CO 0.06 0.15 0.95 -0.76 0.23 0.00 0.00 176.35 176.98 2glw s LEU 84 N 0.39 4.60 -0.11 1.79 1.43 -0.82 -0.98 118.68 124.99 2glw s LEU 84 Ca -0.14 1.95 0.06 0.00 -1.03 0.00 0.00 54.13 54.97 2glw s LEU 84 Cb -0.17 -3.67 -0.11 0.00 0.03 0.00 0.00 46.19 42.28 2glw s LEU 84 CO 0.07 0.12 -0.02 0.18 0.23 0.00 0.00 176.35 176.93 2glw n LEU 85 N 1.35 1.01 0.00 1.79 4.77 0.91 -2.13 117.00 124.70 2glw n LEU 85 Ca -0.01 -0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 55.93 2glw n LEU 85 Cb 0.47 0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.59 2glw n LEU 85 CO 0.49 0.40 0.49 0.61 -1.33 0.00 0.00 177.39 178.05 2glw n GLY 86 N 2.57 0.88 3.11 -0.72 0.00 -0.98 -4.76 105.19 105.29 2glw n GLY 86 Ca -0.18 -1.06 -0.10 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 -3.68 0.17 0.01 1.61 -3.43 -1.26 -1.24 115.29 107.47 2glw s HIS 87 Ca 0.14 -0.43 0.01 0.00 -0.80 0.00 0.00 55.06 53.98 2glw s HIS 87 Cb -0.02 -0.12 -0.01 0.00 -1.43 0.00 0.00 32.58 31.00 2glw s HIS 87 CO 0.03 -0.34 -0.03 0.71 -2.00 0.00 0.00 174.74 173.11 2glw s TYR 88 N -2.31 0.30 0.24 0.38 2.02 0.18 -4.94 117.35 113.23 2glw s TYR 88 Ca -0.07 -0.18 0.10 0.00 -0.37 0.00 0.00 57.07 56.54 2glw s TYR 88 Cb -0.03 -0.19 -0.05 0.00 -0.40 0.00 0.00 41.96 41.29 2glw s TYR 88 CO -0.03 -0.04 -0.18 0.21 -1.57 0.00 0.00 175.55 173.94 2glw s LYS 89 N -0.49 1.50 0.44 -0.62 2.20 -1.26 -2.24 119.74 119.27 2glw s LYS 89 Ca -0.03 -1.66 -0.24 0.00 -0.36 0.00 0.00 55.97 53.68 2glw s LYS 89 Cb -0.04 -1.49 -0.09 0.00 -1.51 0.00 0.00 37.83 34.70 2glw s LYS 89 CO -0.00 0.27 1.18 -2.30 -0.36 0.00 0.00 175.35 174.14 2glw n PRO 90 N -0.40 1.68 -4.65 4.03 -0.02 -1.26 -5.02 135.00 129.36 2glw n PRO 90 Ca -0.07 0.60 -0.23 0.00 -2.02 0.00 0.00 63.50 61.78 2glw n PRO 90 Cb 0.60 -2.28 -0.15 0.00 -0.02 0.00 0.00 33.50 31.65 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 -2.22 1.17 0.00 -0.52 3.52 -1.26 -5.21 118.95 114.43 2glw s ARG 91 Ca 0.63 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 2glw s ARG 91 Cb -0.51 -1.14 0.00 0.00 -1.56 0.00 0.00 34.95 31.73 2glw s ARG 91 CO 0.56 0.31 0.38 -1.71 -0.81 0.00 0.00 175.30 174.03