#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 7.46 -0.03 7.83 1.01 -1.26 -5.05 116.67 126.62 2glw s ASP 2 Ca 0.00 2.07 0.04 0.00 0.71 0.00 0.00 52.55 55.37 2glw s ASP 2 Cb 0.00 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 2glw s ASP 2 CO 0.00 -0.01 -0.13 0.54 0.21 0.00 0.00 175.17 175.78 2glw s VAL 3 N -0.98 1.14 -0.38 -1.27 0.11 -1.26 -4.68 120.40 113.07 2glw s VAL 3 Ca 0.44 -0.56 0.23 0.00 -2.93 0.00 0.00 61.98 59.16 2glw s VAL 3 Cb -0.28 -0.99 0.25 0.00 -1.53 0.00 0.00 36.38 33.83 2glw s VAL 3 CO 0.35 0.34 1.46 -0.07 -3.33 0.00 0.00 175.10 173.85 2glw h LEU 4 N 6.28 0.00 -7.00 2.54 3.38 -1.70 -3.47 115.31 115.33 2glw h LEU 4 Ca -0.33 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.79 2glw h LEU 4 Cb 1.17 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.70 2glw h LEU 4 CO 0.48 0.01 0.68 0.00 0.09 0.00 0.00 178.44 179.70 2glw s ALA 5 N -3.24 -1.98 -0.06 1.53 0.00 -1.26 -4.80 121.76 111.94 2glw s ALA 5 Ca 0.05 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2glw s ALA 5 Cb 0.06 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.58 2glw s ALA 5 CO 0.70 -0.40 -0.04 0.21 0.00 0.00 0.00 175.76 176.24 2glw s LYS 6 N -1.60 0.87 0.16 0.00 2.20 -1.26 -1.84 119.74 118.27 2glw s LYS 6 Ca 0.03 -0.07 -0.13 0.00 -0.36 0.00 0.00 55.97 55.44 2glw s LYS 6 Cb -0.01 -0.98 0.01 0.00 -1.51 0.00 0.00 37.83 35.35 2glw s LYS 6 CO -0.03 -0.16 0.37 -0.59 -0.36 0.00 0.00 175.35 174.58 2glw s PHE 7 N 1.28 0.09 -0.06 4.03 -0.71 -0.98 -5.01 117.98 116.62 2glw s PHE 7 Ca -0.05 -0.45 0.03 0.00 -1.04 0.00 0.00 56.93 55.42 2glw s PHE 7 Cb -0.14 0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 41.79 2glw s PHE 7 CO -0.02 -0.76 -0.14 -1.01 -1.34 0.00 0.00 175.22 171.96 2glw s HIS 8 N -3.89 2.73 0.15 3.49 3.76 -1.26 -0.99 115.29 119.28 2glw s HIS 8 Ca 0.10 -0.21 -0.13 0.00 -0.15 0.00 0.00 55.06 54.67 2glw s HIS 8 Cb 0.02 -1.66 0.02 0.00 1.11 0.00 0.00 32.58 32.06 2glw s HIS 8 CO -0.05 0.14 0.37 -0.08 -0.85 0.00 0.00 174.74 174.28 2glw s THR 9 N -0.59 0.07 0.24 1.30 -1.32 -0.99 -4.95 115.64 109.40 2glw s THR 9 Ca 0.08 -0.92 0.08 0.00 -1.21 0.00 0.00 61.69 59.73 2glw s THR 9 Cb -0.11 -1.45 -0.04 0.00 -1.51 0.00 0.00 72.50 69.38 2glw s THR 9 CO 0.01 -0.32 0.06 0.28 -2.21 0.00 0.00 174.62 172.44 2glw s THR 10 N -3.87 3.84 0.16 5.08 -1.32 -1.26 -0.93 115.64 117.34 2glw s THR 10 Ca 0.08 -1.65 -0.30 0.00 -1.21 0.00 0.00 61.69 58.61 2glw s THR 10 Cb 0.02 -3.04 -0.07 0.00 -1.51 0.00 0.00 72.50 67.90 2glw s THR 10 CO -0.07 -0.32 0.97 -0.69 -2.21 0.00 0.00 174.62 172.31 2glw s VAL 11 N -2.15 4.29 0.44 5.08 1.01 -0.95 -4.78 120.40 123.35 2glw s VAL 11 Ca 0.31 2.02 0.06 0.00 0.00 0.00 0.00 61.98 64.38 2glw s VAL 11 Cb -0.07 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2glw s VAL 11 CO 0.21 0.37 0.17 -1.00 0.00 0.00 0.00 175.10 174.85 2glw s HIS 12 N -0.39 2.40 0.67 5.22 3.76 -0.83 -1.63 115.29 124.51 2glw s HIS 12 Ca 0.45 -0.67 -0.17 0.00 -0.15 0.00 0.00 55.06 54.53 2glw s HIS 12 Cb -0.25 -1.90 -0.09 0.00 1.11 0.00 0.00 32.58 31.45 2glw s HIS 12 CO 0.31 0.14 0.18 0.54 -0.85 0.00 0.00 174.74 175.06 2glw n ARG 13 N -1.28 0.21 -0.88 1.40 1.74 -1.26 -1.40 116.66 115.19 2glw n ARG 13 Ca -0.03 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2glw n ARG 13 Cb 0.65 -1.48 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 -2.06 0.00 -1.05 0.55 5.41 -1.26 -2.34 119.36 118.61 2glw n ILE 14 Ca 0.08 0.00 -0.02 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 38.69 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 -0.30 0.52 3.81 7.39 0.00 -0.50 -4.83 105.19 111.29 2glw n GLY 15 Ca 0.00 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.43 4.26 0.10 1.61 3.52 -0.99 -2.55 118.95 123.47 2glw s ARG 16 Ca 0.00 0.87 0.04 0.00 -0.13 0.00 0.00 55.73 56.51 2glw s ARG 16 Cb 0.00 -2.94 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 2glw s ARG 16 CO 0.00 0.43 -0.11 0.96 -0.81 0.00 0.00 175.30 175.77 2glw s ILE 17 N -1.46 1.00 -0.13 4.11 -4.36 -0.82 -1.96 121.20 117.58 2glw s ILE 17 Ca 0.41 -1.61 0.01 0.00 -0.26 0.00 0.00 60.65 59.20 2glw s ILE 17 Cb -0.17 -1.34 -0.01 0.00 1.25 0.00 0.00 42.46 42.19 2glw s ILE 17 CO 0.21 -0.51 -0.17 -0.63 0.24 0.00 0.00 174.94 174.08 2glw s ILE 18 N -2.28 2.63 0.35 8.37 -1.09 -1.26 -1.74 121.20 126.18 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 -0.04 -2.08 -0.10 0.00 -1.58 0.00 0.00 42.46 38.66 2glw s ILE 18 CO 0.01 0.53 0.96 -0.63 -1.23 0.00 0.00 174.94 174.58 2glw s ILE 19 N 0.47 4.18 0.45 2.92 1.01 -1.16 -4.97 121.20 124.10 2glw s ILE 19 Ca -0.12 1.72 -0.25 0.00 0.00 0.00 0.00 60.65 62.00 2glw s ILE 19 Cb -0.16 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 38.31 2glw s ILE 19 CO 0.05 0.06 1.34 -2.16 0.00 0.00 0.00 174.94 174.24 2glw s PRO 20 N -2.26 3.71 0.57 2.79 0.04 -1.26 -4.87 135.00 133.72 2glw s PRO 20 Ca 0.53 2.23 0.26 0.00 0.04 0.00 0.00 61.00 64.06 2glw s PRO 20 Cb -0.18 -2.61 1.56 0.00 0.04 0.00 0.00 34.50 33.32 2glw s PRO 20 CO 0.23 -0.73 2.09 0.00 0.04 0.00 0.00 177.00 178.63 2glw h ALA 21 N 2.30 1.95 -0.38 8.56 0.00 -1.95 -1.80 119.26 127.93 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 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2glw h ALA 21 CO 0.61 -0.31 0.10 0.78 0.00 0.00 0.00 179.25 180.43 2glw h GLY 22 N 0.00 0.65 1.42 0.00 0.00 -2.01 -2.66 103.07 100.47 2glw h GLY 22 Ca 0.10 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 2glw h GLY 22 CO -0.00 0.37 -0.38 -0.84 0.00 0.00 0.00 176.54 175.69 2glw h THR 23 N 0.47 1.29 -0.80 4.70 2.02 -1.70 -2.88 112.91 116.02 2glw h THR 23 Ca 0.12 -1.54 0.07 0.00 0.77 0.00 0.00 66.41 65.84 2glw h THR 23 Cb 0.29 1.49 -0.06 0.00 -1.74 0.00 0.00 68.15 68.12 2glw h THR 23 CO -0.00 0.49 0.47 0.03 0.37 0.00 0.00 175.52 176.88 2glw h ARG 24 N 0.53 0.81 -0.00 6.66 3.08 -1.31 -1.98 114.38 122.17 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 0.89 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 2glw h ARG 24 CO 0.08 0.54 -0.00 0.87 -1.07 0.00 0.00 179.97 180.38 2glw h LYS 25 N 0.83 0.00 -0.88 0.04 1.57 -1.32 0.77 116.57 117.59 2glw h LYS 25 Ca 0.36 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.23 2glw h LYS 25 Cb 0.24 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 2glw h LYS 25 CO -0.20 0.31 0.57 0.35 -0.57 0.00 0.00 179.45 179.91 2glw h PHE 26 N -0.31 0.94 0.00 -1.35 3.57 -1.28 -1.45 116.94 117.06 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 0.31 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2glw h PHE 26 CO 0.03 0.44 -0.60 0.98 -2.23 0.00 0.00 178.31 176.94 2glw n TYR 27 N -4.52 0.49 -2.62 0.41 4.19 -0.77 -4.97 117.16 109.37 2glw n TYR 27 Ca 0.15 0.14 -0.05 0.00 3.31 0.00 0.00 57.90 61.45 2glw n TYR 27 Cb 0.29 -0.62 0.02 0.00 0.49 0.00 0.00 39.34 39.52 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 3.69 2.98 0.00 0.13 -5.00 105.19 108.86 2glw n GLY 28 Ca 0.04 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 5.03 0.19 -0.61 1.01 -0.38 -5.04 121.20 118.32 2glw s ILE 29 Ca 0.09 1.35 0.07 0.00 0.00 0.00 0.00 60.65 62.17 2glw s ILE 29 Cb -0.04 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 2glw s ILE 29 CO 0.16 0.18 -0.14 -1.61 0.00 0.00 0.00 174.94 173.53 2glw s GLU 30 N 1.34 1.27 0.31 2.79 2.02 -1.26 -4.87 118.70 120.30 2glw s GLU 30 Ca 0.34 -1.52 -0.29 0.00 0.02 0.00 0.00 54.97 53.51 2glw s GLU 30 Cb -0.17 -1.07 -0.12 0.00 0.10 0.00 0.00 34.13 32.87 2glw s GLU 30 CO 0.14 0.18 1.43 1.04 0.02 0.00 0.00 175.26 178.08 2glw n GLN 31 N -0.20 2.36 0.00 1.61 6.02 -1.26 -2.03 117.38 123.87 2glw n GLN 31 Ca -0.09 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 2glw n GLN 31 Cb 0.60 -2.51 0.00 0.00 1.02 0.00 0.00 30.24 29.34 2glw n GLN 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2glw n GLY 32 N 1.39 2.13 3.82 1.08 0.00 -0.91 -5.01 105.19 107.69 2glw n GLY 32 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.72 5.86 -0.08 1.61 1.01 -0.86 -4.80 116.67 117.70 2glw s ASP 33 Ca 0.00 1.65 0.01 0.00 0.71 0.00 0.00 52.55 54.92 2glw s ASP 33 Cb 0.00 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 2glw s ASP 33 CO 0.00 -1.11 -0.08 -0.36 0.21 0.00 0.00 175.17 173.83 2glw s PHE 34 N -2.78 2.90 0.10 4.23 0.40 -0.93 -1.47 117.98 120.43 2glw s PHE 34 Ca 0.60 -0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.90 2glw s PHE 34 Cb -0.14 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.63 2glw s PHE 34 CO 0.44 0.24 -0.13 0.14 0.70 0.00 0.00 175.22 176.61 2glw s VAL 35 N -0.61 1.18 -0.18 -0.44 -7.23 -0.71 -0.61 120.40 111.80 2glw s VAL 35 Ca 0.09 -1.58 -0.01 0.00 -1.81 0.00 0.00 61.98 58.67 2glw s VAL 35 Cb -0.12 -1.36 -0.00 0.00 0.56 0.00 0.00 36.38 35.47 2glw s VAL 35 CO 0.02 -0.39 -0.12 -0.70 -0.31 0.00 0.00 175.10 173.60 2glw s GLU 36 N -2.43 3.26 0.05 4.82 2.12 -0.39 -1.75 118.70 124.39 2glw s GLU 36 Ca 0.05 -0.71 -0.01 0.00 0.36 0.00 0.00 54.97 54.66 2glw s GLU 36 Cb -0.06 -2.76 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 2glw s GLU 36 CO 0.02 -0.07 -0.02 -1.50 -0.54 0.00 0.00 175.26 173.15 2glw s ILE 37 N 1.07 0.21 0.03 -3.70 2.07 -0.90 -0.15 121.20 119.83 2glw s ILE 37 Ca -0.00 -1.70 0.03 0.00 -1.41 0.00 0.00 60.65 57.57 2glw s ILE 37 Cb -0.15 -1.41 -0.02 0.00 0.13 0.00 0.00 42.46 41.02 2glw s ILE 37 CO -0.03 -0.94 -0.10 -0.75 -1.91 0.00 0.00 174.94 171.22 2glw s LYS 38 N -3.72 0.67 0.13 3.50 2.20 -0.22 -2.03 119.74 120.26 2glw s LYS 38 Ca 0.05 -0.63 0.08 0.00 -0.36 0.00 0.00 55.97 55.12 2glw s LYS 38 Cb 0.06 -0.59 -0.04 0.00 -1.51 0.00 0.00 37.83 35.76 2glw s LYS 38 CO -0.09 0.14 -0.14 0.96 -0.36 0.00 0.00 175.35 175.86 2glw s ILE 39 N -0.88 3.06 -0.03 5.43 -4.36 -0.15 -1.14 121.20 123.13 2glw s ILE 39 Ca -0.02 -1.49 -0.01 0.00 -0.26 0.00 0.00 60.65 58.87 2glw s ILE 39 Cb -0.07 -2.44 0.03 0.00 1.25 0.00 0.00 42.46 41.23 2glw s ILE 39 CO 0.01 0.05 0.04 -0.69 0.24 0.00 0.00 174.94 174.59 2glw s VAL 40 N -1.30 -0.06 0.03 8.37 1.01 -0.82 -1.88 120.40 125.75 2glw s VAL 40 Ca 0.21 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.55 2glw s VAL 40 Cb -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 2glw s VAL 40 CO 0.12 0.14 -0.12 -0.75 0.00 0.00 0.00 175.10 174.49 2glw s LYS 41 N 1.67 0.86 -0.18 2.72 2.20 -0.60 -2.69 119.74 123.73 2glw s LYS 41 Ca -0.01 -0.66 -0.07 0.00 -0.36 0.00 0.00 55.97 54.87 2glw s LYS 41 Cb -0.12 -0.84 -0.04 0.00 -1.51 0.00 0.00 37.83 35.32 2glw s LYS 41 CO -0.03 0.21 0.04 -0.47 -0.36 0.00 0.00 175.35 174.74 2glw s TYR 42 N -0.74 3.19 -0.04 4.03 5.04 -1.26 -0.92 117.35 126.65 2glw s TYR 42 Ca 0.01 -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 -0.05 -1.83 -1.34 0.00 0.00 175.55 172.42 2glw s GLU 43 N 0.43 0.89 7.92 4.97 -1.05 -1.10 -4.98 118.70 125.78 2glw s GLU 43 Ca 0.02 -0.14 0.00 0.00 -0.15 0.00 0.00 54.97 54.70 2glw s GLU 43 Cb -0.13 -0.86 0.00 0.00 -0.44 0.00 0.00 34.13 32.70 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 3.95 3.75 1.20 -3.83 0.00 -1.26 -1.90 105.19 107.10 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 3.30 -4.17 1.61 0.28 -1.26 -4.94 120.64 129.46 2glw n GLU 45 Ca 0.00 -2.65 -0.24 0.00 -0.16 0.00 0.00 57.16 54.11 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 1.30 0.18 3.44 -1.05 -0.80 -5.12 118.70 114.91 2glw s GLU 46 Ca 0.42 -0.23 -0.30 0.00 -0.15 0.00 0.00 54.97 54.72 2glw s GLU 46 Cb 0.27 -1.27 -0.08 0.00 -0.44 0.00 0.00 34.13 32.61 2glw s GLU 46 CO 0.20 -0.13 1.11 -2.14 0.95 0.00 0.00 175.26 175.25 2glw s PRO 47 N 1.21 4.59 -0.08 -4.83 0.02 -1.26 -2.71 135.00 131.93 2glw s PRO 47 Ca -0.05 1.73 0.01 0.00 0.02 0.00 0.00 61.00 62.71 2glw s PRO 47 Cb -0.14 -3.27 -0.03 0.00 0.02 0.00 0.00 34.50 31.08 2glw s PRO 47 CO -0.02 0.06 -0.09 0.15 -0.33 0.00 0.00 177.00 176.77 2glw s LYS 48 N -0.38 2.90 0.18 5.54 -0.14 -0.10 -4.97 119.74 122.78 2glw s LYS 48 Ca 0.50 -0.60 0.01 0.00 -1.36 0.00 0.00 55.97 54.52 2glw s LYS 48 Cb -0.30 -2.59 -0.05 0.00 -1.68 0.00 0.00 37.83 33.22 2glw s LYS 48 CO 0.35 0.54 0.02 -1.21 -0.76 0.00 0.00 175.35 174.29 2glw s GLU 49 N -0.49 1.14 -0.26 1.68 2.02 -1.26 -1.56 118.70 119.98 2glw s GLU 49 Ca 0.07 -1.56 -0.20 0.00 0.02 0.00 0.00 54.97 53.30 2glw s GLU 49 Cb -0.12 -0.23 0.07 0.00 0.10 0.00 0.00 34.13 33.95 2glw s GLU 49 CO 0.02 -0.17 0.66 0.20 0.02 0.00 0.00 175.26 176.00 2glw s GLY 50 N -3.18 -0.54 -0.04 -1.39 0.00 -0.79 -4.77 107.32 96.61 2glw s GLY 50 Ca 0.26 2.07 0.05 0.00 0.00 0.00 0.00 44.72 47.11 2glw s GLY 50 CO 0.05 1.92 -0.21 -1.59 0.00 0.00 0.00 173.10 173.28 2glw s THR 51 N 0.89 1.69 0.31 0.90 2.01 -1.26 -0.97 115.64 119.20 2glw s THR 51 Ca -0.04 -0.88 -0.15 0.00 0.31 0.00 0.00 61.69 60.93 2glw s THR 51 Cb -0.05 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 71.05 2glw s THR 51 CO -0.08 0.48 0.64 0.72 -0.69 0.00 0.00 174.62 175.69 2glw s PHE 52 N -0.18 0.22 -0.07 4.92 -0.71 -0.86 -5.02 117.98 116.28 2glw s PHE 52 Ca -0.00 -0.68 -0.01 0.00 -1.04 0.00 0.00 56.93 55.19 2glw s PHE 52 Cb -0.11 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.15 2glw s PHE 52 CO 0.02 -1.25 -0.00 0.99 -1.34 0.00 0.00 175.22 173.64 2glw s THR 53 N -3.40 4.26 0.00 -4.49 2.01 -1.26 -2.12 115.64 110.64 2glw s THR 53 Ca 0.18 -0.31 -0.02 0.00 0.31 0.00 0.00 61.69 61.85 2glw s THR 53 Cb -0.03 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 2glw s THR 53 CO 0.11 0.57 0.04 0.00 -0.69 0.00 0.00 174.62 174.65 2glw s ALA 54 N -0.91 -0.08 0.08 7.40 0.00 -0.72 -5.01 121.76 122.53 2glw s ALA 54 Ca 0.14 -0.20 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 2glw s ALA 54 Cb -0.11 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.99 2glw s ALA 54 CO 0.03 -0.12 0.42 0.50 0.00 0.00 0.00 175.76 176.60 2glw s ARG 55 N -0.86 3.80 -0.05 0.00 3.52 -1.26 -1.74 118.95 122.35 2glw s ARG 55 Ca -0.09 0.23 -0.30 0.00 -0.13 0.00 0.00 55.73 55.44 2glw s ARG 55 Cb -0.06 -3.00 -0.02 0.00 -1.56 0.00 0.00 34.95 30.31 2glw s ARG 55 CO -0.00 0.56 1.04 0.08 -0.81 0.00 0.00 175.30 176.16 2glw s VAL 56 N -1.39 4.70 0.08 7.11 1.01 -0.54 -4.74 120.40 126.63 2glw s VAL 56 Ca 0.33 1.95 0.01 0.00 0.00 0.00 0.00 61.98 64.27 2glw s VAL 56 Cb -0.14 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.00 2glw s VAL 56 CO 0.18 0.06 0.10 0.61 0.00 0.00 0.00 175.10 176.05 2glw n GLY 57 N 3.07 2.23 3.71 4.51 0.00 -0.87 -2.15 105.19 115.69 2glw n GLY 57 Ca 0.08 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.36 1.71 -1.52 1.61 2.12 -1.26 -2.32 118.70 116.67 2glw s GLU 58 Ca 0.07 1.66 0.00 0.00 0.36 0.00 0.00 54.97 57.07 2glw s GLU 58 Cb -0.01 -1.79 0.00 0.00 0.26 0.00 0.00 34.13 32.59 2glw s GLU 58 CO 0.05 -2.14 0.00 1.04 -0.54 0.00 0.00 175.26 173.67 2glw n GLN 59 N -3.34 -1.41 -1.27 4.30 1.13 -1.26 -2.24 117.38 113.30 2glw n GLN 59 Ca 0.13 0.88 -0.08 0.00 -1.94 0.00 0.00 57.00 55.99 2glw n GLN 59 Cb 0.51 -5.15 -0.03 0.00 0.11 0.00 0.00 30.24 25.68 2glw n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2glw n GLY 60 N -0.20 0.93 3.78 1.08 0.00 -0.98 -4.68 105.19 105.13 2glw n GLY 60 Ca -0.14 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 2glw n GLY 60 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2glw s SER 61 N -2.91 7.19 0.02 1.61 0.15 -0.95 -2.98 113.70 115.83 2glw s SER 61 Ca 0.00 1.89 0.01 0.00 0.70 0.00 0.00 55.95 58.55 2glw s SER 61 Cb 0.00 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 2glw s SER 61 CO 0.00 -0.18 -0.05 0.54 1.20 0.00 0.00 173.24 174.76 2glw s VAL 62 N -1.64 0.31 -0.20 4.45 0.11 -0.71 -2.05 120.40 120.67 2glw s VAL 62 Ca 0.52 -0.67 -0.04 0.00 -2.93 0.00 0.00 61.98 58.87 2glw s VAL 62 Cb -0.19 -0.36 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 2glw s VAL 62 CO 0.25 -0.24 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.11 2glw s ILE 63 N -0.90 3.56 0.31 7.04 -1.09 -1.26 -1.95 121.20 126.92 2glw s ILE 63 Ca -0.07 -0.45 -0.27 0.00 -2.23 0.00 0.00 60.65 57.63 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 0.98 -0.63 -1.23 0.00 0.00 174.94 174.50 2glw s ILE 64 N 1.08 4.03 0.29 2.92 1.01 -1.06 -4.93 121.20 124.55 2glw s ILE 64 Ca 0.01 1.77 -0.29 0.00 0.00 0.00 0.00 60.65 62.13 2glw s ILE 64 Cb -0.15 -4.02 -0.10 0.00 0.01 0.00 0.00 42.46 38.21 2glw s ILE 64 CO 0.00 0.21 1.41 -2.16 0.00 0.00 0.00 174.94 174.41 2glw s PRO 65 N -1.88 4.27 0.41 2.79 0.04 -1.26 -4.86 135.00 134.51 2glw s PRO 65 Ca 0.49 2.32 0.13 0.00 0.04 0.00 0.00 61.00 63.98 2glw s PRO 65 Cb -0.22 -3.08 0.99 0.00 0.04 0.00 0.00 34.50 32.23 2glw s PRO 65 CO 0.28 -0.37 1.92 -0.22 0.04 0.00 0.00 177.00 178.65 2glw h LYS 66 N 4.29 0.47 -0.86 4.56 1.63 -1.94 -1.23 116.57 123.49 2glw h LYS 66 Ca -0.47 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.33 2glw h LYS 66 Cb 1.22 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.70 2glw h LYS 66 CO 0.72 0.31 0.57 0.00 -3.45 0.00 0.00 179.45 177.60 2glw h ALA 67 N 1.64 1.46 0.02 5.00 0.00 -2.01 -2.04 119.26 123.33 2glw h ALA 67 Ca 0.36 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 55.02 2glw h ALA 67 Cb 0.73 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2glw h ALA 67 CO -0.13 0.46 -0.95 -0.07 0.00 0.00 0.00 179.25 178.56 2glw h LEU 68 N 1.08 0.25 -0.50 0.00 3.38 -1.61 -2.96 115.31 114.95 2glw h LEU 68 Ca 0.34 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2glw h LEU 68 Cb 0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2glw h LEU 68 CO -0.10 1.06 0.28 0.03 0.09 0.00 0.00 178.44 179.80 2glw h ARG 69 N 0.09 0.54 -0.06 1.13 3.08 -1.00 -1.49 114.38 116.66 2glw h ARG 69 Ca -0.05 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 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 0.36 -0.08 0.22 -1.07 0.00 0.00 179.97 179.54 2glw h ASP 70 N 0.56 0.18 -0.78 7.04 3.58 -1.51 -1.81 116.42 123.69 2glw h ASP 70 Ca 0.21 -0.51 -0.00 0.00 0.42 0.00 0.00 57.03 57.14 2glw h ASP 70 Cb 0.05 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 2glw h ASP 70 CO -0.11 0.66 0.49 0.58 -2.88 0.00 0.00 179.24 177.97 2glw h VAL 71 N -0.29 1.21 0.00 2.25 2.07 -1.43 -2.39 116.25 117.67 2glw h VAL 71 Ca 0.01 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2glw h VAL 71 Cb 0.61 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2glw h VAL 71 CO 0.02 0.22 -0.22 0.40 0.02 0.00 0.00 177.57 178.00 2glw h ILE 72 N 1.07 0.00 -1.22 4.57 2.04 -1.28 -3.48 117.51 119.22 2glw h ILE 72 Ca 0.28 -0.78 -0.07 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 37.68 2glw h ILE 72 CO -0.06 0.00 -0.11 0.61 0.00 0.00 0.00 178.15 178.60 2glw n GLY 73 N 1.20 0.46 3.83 5.37 0.00 -0.72 -4.76 105.19 110.58 2glw n GLY 73 Ca 0.04 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 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 4.89 0.19 -0.61 -1.09 -0.96 -5.06 121.20 115.91 2glw s ILE 74 Ca 0.05 0.92 0.04 0.00 -2.23 0.00 0.00 60.65 59.44 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 0.44 -0.06 -0.54 -1.23 0.00 0.00 174.94 173.61 2glw s LYS 75 N -1.44 1.20 0.30 2.79 1.02 -1.26 -4.89 119.74 117.47 2glw s LYS 75 Ca 0.31 -1.56 -0.30 0.00 0.02 0.00 0.00 55.97 54.44 2glw s LYS 75 Cb -0.17 -0.67 -0.11 0.00 -0.52 0.00 0.00 37.83 36.36 2glw s LYS 75 CO 0.17 0.01 1.60 -0.35 -0.92 0.00 0.00 175.35 175.87 2glw n PRO 76 N -0.31 2.74 -0.39 -1.68 -0.04 -1.26 -2.48 135.00 131.59 2glw n PRO 76 Ca -0.08 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 2glw n PRO 76 Cb 0.62 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 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 2.00 0.70 3.74 0.55 0.00 -0.64 -4.96 105.19 106.58 2glw n GLY 77 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.61 4.22 -0.03 1.61 2.02 -1.03 -4.87 118.70 120.00 2glw s GLU 78 Ca 0.00 0.17 -0.17 0.00 0.02 0.00 0.00 54.97 54.99 2glw s GLU 78 Cb 0.00 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.77 2glw s GLU 78 CO 0.00 0.27 0.48 0.54 0.02 0.00 0.00 175.26 176.57 2glw s VAL 79 N 0.33 5.02 0.20 2.63 0.11 -1.26 -2.23 120.40 125.21 2glw s VAL 79 Ca 0.19 0.98 0.08 0.00 -2.93 0.00 0.00 61.98 60.30 2glw s VAL 79 Cb -0.14 -3.80 -0.05 0.00 -1.53 0.00 0.00 36.38 30.87 2glw s VAL 79 CO 0.06 0.47 -0.15 0.27 -3.33 0.00 0.00 175.10 172.42 2glw s ILE 80 N -0.38 1.73 -0.20 7.04 -4.36 -0.10 -4.89 121.20 120.04 2glw s ILE 80 Ca 0.26 -2.17 -0.12 0.00 -0.26 0.00 0.00 60.65 58.36 2glw s ILE 80 Cb -0.17 -2.01 -0.05 0.00 1.25 0.00 0.00 42.46 41.48 2glw s ILE 80 CO 0.14 -0.57 0.20 -0.70 0.24 0.00 0.00 174.94 174.25 2glw s GLU 81 N -3.54 4.17 -0.14 0.37 2.12 -1.09 -2.36 118.70 118.22 2glw s GLU 81 Ca 0.21 -0.12 -0.01 0.00 0.36 0.00 0.00 54.97 55.41 2glw s GLU 81 Cb -0.01 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 2glw s GLU 81 CO 0.07 0.19 -0.11 0.08 -0.54 0.00 0.00 175.26 174.94 2glw s VAL 82 N 0.67 3.18 -0.14 3.70 1.01 -0.16 -1.94 120.40 126.73 2glw s VAL 82 Ca 0.11 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2glw s VAL 82 Cb -0.12 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 2glw s VAL 82 CO 0.02 0.51 -0.17 -0.76 0.00 0.00 0.00 175.10 174.70 2glw s LEU 83 N 0.46 2.44 0.26 3.92 1.43 -0.29 -2.32 118.68 124.57 2glw s LEU 83 Ca -0.08 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.26 2glw s LEU 83 Cb -0.15 -1.54 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 2glw s LEU 83 CO 0.04 0.12 0.94 -0.76 0.23 0.00 0.00 176.35 176.92 2glw s LEU 84 N 0.61 4.59 -0.06 1.79 1.43 -0.76 -1.06 118.68 125.22 2glw s LEU 84 Ca -0.09 1.93 0.05 0.00 -1.03 0.00 0.00 54.13 54.99 2glw s LEU 84 Cb -0.16 -3.69 -0.08 0.00 0.03 0.00 0.00 46.19 42.29 2glw s LEU 84 CO 0.03 0.11 0.02 0.18 0.23 0.00 0.00 176.35 176.92 2glw n LEU 85 N 1.30 0.04 0.00 1.79 4.77 0.79 -2.02 117.00 123.66 2glw n LEU 85 Ca -0.01 -0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.94 2glw n LEU 85 Cb 0.48 0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.73 2glw n LEU 85 CO 0.49 0.16 0.64 0.61 -1.33 0.00 0.00 177.39 177.96 2glw n GLY 86 N 2.62 0.77 3.14 -0.72 0.00 -0.98 -4.76 105.19 105.26 2glw n GLY 86 Ca -0.10 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.92 0.11 0.01 1.61 -3.43 -1.26 -1.26 115.29 108.15 2glw s HIS 87 Ca 0.18 -0.32 0.00 0.00 -0.80 0.00 0.00 55.06 54.12 2glw s HIS 87 Cb -0.02 -0.08 -0.01 0.00 -1.43 0.00 0.00 32.58 31.04 2glw s HIS 87 CO 0.05 -0.37 -0.02 0.71 -2.00 0.00 0.00 174.74 173.11 2glw s TYR 88 N -2.27 0.20 0.14 0.38 2.02 0.22 -4.94 117.35 113.11 2glw s TYR 88 Ca -0.08 -0.25 0.10 0.00 -0.37 0.00 0.00 57.07 56.48 2glw s TYR 88 Cb -0.03 -0.14 -0.04 0.00 -0.40 0.00 0.00 41.96 41.36 2glw s TYR 88 CO -0.03 -0.08 -0.22 0.21 -1.57 0.00 0.00 175.55 173.87 2glw s LYS 89 N -0.69 1.61 0.43 -0.62 2.20 -1.26 -2.19 119.74 119.22 2glw s LYS 89 Ca -0.07 -1.31 -0.25 0.00 -0.36 0.00 0.00 55.97 53.99 2glw s LYS 89 Cb -0.05 -1.99 -0.10 0.00 -1.51 0.00 0.00 37.83 34.19 2glw s LYS 89 CO -0.00 0.45 1.22 -2.30 -0.36 0.00 0.00 175.35 174.36 2glw n PRO 90 N 0.70 1.78 -4.15 4.03 -0.02 -1.26 -5.01 135.00 131.06 2glw n PRO 90 Ca -0.16 0.63 -0.11 0.00 -2.02 0.00 0.00 63.50 61.85 2glw n PRO 90 Cb 0.54 -2.32 -0.10 0.00 -0.02 0.00 0.00 33.50 31.60 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 -2.21 0.79 0.00 -0.52 1.70 -1.26 -5.20 118.95 112.25 2glw s ARG 91 Ca 0.62 -1.27 0.25 0.00 -0.47 0.00 0.00 55.73 54.86 2glw s ARG 91 Cb -0.51 -0.19 0.34 0.00 -0.57 0.00 0.00 34.95 34.02 2glw s ARG 91 CO 0.57 -0.02 1.35 -1.71 -1.08 0.00 0.00 175.30 174.41