#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 7.52 -0.03 6.12 1.01 -1.26 -5.06 116.67 124.97 2glw s ASP 2 Ca 0.00 2.04 0.04 0.00 0.71 0.00 0.00 52.55 55.34 2glw s ASP 2 Cb 0.00 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 2glw s ASP 2 CO 0.00 0.06 -0.15 0.54 0.21 0.00 0.00 175.17 175.83 2glw s VAL 3 N -1.19 1.21 -0.42 -1.27 0.11 -1.26 -4.67 120.40 112.91 2glw s VAL 3 Ca 0.42 -0.60 0.23 0.00 -2.93 0.00 0.00 61.98 59.10 2glw s VAL 3 Cb -0.28 -1.04 0.20 0.00 -1.53 0.00 0.00 36.38 33.73 2glw s VAL 3 CO 0.34 0.35 1.42 -0.07 -3.33 0.00 0.00 175.10 173.82 2glw h LEU 4 N 6.23 0.00 -7.00 2.54 3.38 -1.74 -3.48 115.31 115.24 2glw h LEU 4 Ca -0.33 -0.02 0.14 0.00 0.09 0.00 0.00 57.88 57.76 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 0.65 0.00 0.09 0.00 0.00 178.44 179.67 2glw s ALA 5 N -3.25 -1.97 -0.06 1.53 0.00 -1.26 -4.84 121.76 111.91 2glw s ALA 5 Ca 0.05 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2glw s ALA 5 Cb 0.08 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.65 2glw s ALA 5 CO 0.71 -0.41 -0.03 0.21 0.00 0.00 0.00 175.76 176.24 2glw s LYS 6 N -1.63 0.84 0.14 0.00 2.20 -1.26 -1.91 119.74 118.12 2glw s LYS 6 Ca 0.03 -0.05 -0.12 0.00 -0.36 0.00 0.00 55.97 55.47 2glw s LYS 6 Cb -0.01 -0.97 0.01 0.00 -1.51 0.00 0.00 37.83 35.35 2glw s LYS 6 CO -0.03 -0.17 0.33 -0.59 -0.36 0.00 0.00 175.35 174.53 2glw s PHE 7 N 1.34 0.11 -0.07 4.03 -0.71 -0.98 -5.01 117.98 116.69 2glw s PHE 7 Ca -0.04 -0.47 0.03 0.00 -1.04 0.00 0.00 56.93 55.40 2glw s PHE 7 Cb -0.13 0.10 -0.02 0.00 -1.21 0.00 0.00 43.02 41.75 2glw s PHE 7 CO -0.02 -0.71 -0.13 -1.01 -1.34 0.00 0.00 175.22 172.01 2glw s HIS 8 N -3.89 2.76 0.14 3.49 3.76 -1.26 -1.07 115.29 119.22 2glw s HIS 8 Ca 0.09 -0.21 -0.13 0.00 -0.15 0.00 0.00 55.06 54.67 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 -0.06 0.14 0.35 -0.08 -0.85 0.00 0.00 174.74 174.24 2glw s THR 9 N -0.56 0.08 0.22 1.30 -1.32 -1.02 -4.96 115.64 109.38 2glw s THR 9 Ca 0.08 -0.95 0.08 0.00 -1.21 0.00 0.00 61.69 59.68 2glw s THR 9 Cb -0.12 -1.46 -0.04 0.00 -1.51 0.00 0.00 72.50 69.38 2glw s THR 9 CO 0.01 -0.34 0.05 0.28 -2.21 0.00 0.00 174.62 172.41 2glw s THR 10 N -3.87 3.84 0.16 5.08 -1.32 -1.26 -1.11 115.64 117.16 2glw s THR 10 Ca 0.08 -1.57 -0.30 0.00 -1.21 0.00 0.00 61.69 58.69 2glw s THR 10 Cb 0.02 -3.01 -0.07 0.00 -1.51 0.00 0.00 72.50 67.93 2glw s THR 10 CO -0.07 -0.26 0.97 -0.69 -2.21 0.00 0.00 174.62 172.36 2glw s VAL 11 N -2.04 4.31 0.44 5.08 1.01 -0.92 -4.79 120.40 123.49 2glw s VAL 11 Ca 0.30 2.04 0.07 0.00 0.00 0.00 0.00 61.98 64.39 2glw s VAL 11 Cb -0.08 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2glw s VAL 11 CO 0.21 0.37 0.21 -1.00 0.00 0.00 0.00 175.10 174.89 2glw s HIS 12 N -0.40 2.41 0.65 5.22 3.76 -0.87 -1.60 115.29 124.46 2glw s HIS 12 Ca 0.45 -0.65 -0.17 0.00 -0.15 0.00 0.00 55.06 54.54 2glw s HIS 12 Cb -0.25 -1.94 -0.09 0.00 1.11 0.00 0.00 32.58 31.41 2glw s HIS 12 CO 0.31 0.07 0.24 0.54 -0.85 0.00 0.00 174.74 175.05 2glw n ARG 13 N -1.34 0.25 -0.91 1.40 1.74 -1.26 -1.31 116.66 115.23 2glw n ARG 13 Ca -0.02 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2glw n ARG 13 Cb 0.65 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 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 -1.98 0.00 -1.04 0.55 5.41 -1.26 -2.29 119.36 118.75 2glw n ILE 14 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.82 2glw n ILE 14 Cb 0.49 -0.78 -0.01 0.00 -0.71 0.00 0.00 39.64 38.64 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 -0.06 0.51 3.78 7.39 0.00 -0.43 -4.79 105.19 111.59 2glw n GLY 15 Ca 0.00 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 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 4.54 0.09 1.61 3.52 -0.97 -2.30 118.95 124.02 2glw s ARG 16 Ca 0.00 1.15 0.03 0.00 -0.13 0.00 0.00 55.73 56.78 2glw s ARG 16 Cb 0.00 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 2glw s ARG 16 CO 0.00 0.54 -0.09 0.96 -0.81 0.00 0.00 175.30 175.89 2glw s ILE 17 N -1.22 0.87 -0.11 4.11 -4.36 -0.82 -2.05 121.20 117.62 2glw s ILE 17 Ca 0.37 -1.63 0.03 0.00 -0.26 0.00 0.00 60.65 59.16 2glw s ILE 17 Cb -0.22 -1.33 -0.00 0.00 1.25 0.00 0.00 42.46 42.15 2glw s ILE 17 CO 0.26 -0.59 -0.20 -0.63 0.24 0.00 0.00 174.94 174.02 2glw s ILE 18 N -2.51 2.37 0.36 8.37 -1.09 -1.26 -1.65 121.20 125.78 2glw s ILE 18 Ca 0.05 -0.91 -0.25 0.00 -2.23 0.00 0.00 60.65 57.32 2glw s ILE 18 Cb -0.02 -1.94 -0.10 0.00 -1.58 0.00 0.00 42.46 38.82 2glw s ILE 18 CO -0.01 0.55 0.95 -0.63 -1.23 0.00 0.00 174.94 174.58 2glw s ILE 19 N 0.36 4.22 0.43 2.92 1.01 -1.18 -4.98 121.20 123.99 2glw s ILE 19 Ca -0.16 1.70 -0.25 0.00 0.00 0.00 0.00 60.65 61.93 2glw s ILE 19 Cb -0.17 -3.88 -0.08 0.00 0.01 0.00 0.00 42.46 38.34 2glw s ILE 19 CO 0.08 0.01 1.36 -2.16 0.00 0.00 0.00 174.94 174.23 2glw s PRO 20 N -2.38 3.80 0.57 2.79 0.04 -1.26 -4.87 135.00 133.70 2glw s PRO 20 Ca 0.54 2.28 0.27 0.00 0.04 0.00 0.00 61.00 64.13 2glw s PRO 20 Cb -0.16 -2.69 1.60 0.00 0.04 0.00 0.00 34.50 33.29 2glw s PRO 20 CO 0.21 -0.67 2.11 0.00 0.04 0.00 0.00 177.00 178.69 2glw h ALA 21 N 2.46 1.88 -0.36 8.56 0.00 -1.95 -1.89 119.26 127.95 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 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2glw h ALA 21 CO 0.62 -0.27 0.10 0.78 0.00 0.00 0.00 179.25 180.47 2glw h GLY 22 N 0.00 0.62 1.39 0.00 0.00 -2.01 -2.55 103.07 100.52 2glw h GLY 22 Ca 0.09 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 46.89 2glw h GLY 22 CO -0.00 0.36 -0.41 -0.84 0.00 0.00 0.00 176.54 175.65 2glw h THR 23 N 0.44 1.29 -0.82 4.70 2.02 -1.72 -2.87 112.91 115.95 2glw h THR 23 Ca 0.12 -1.58 0.08 0.00 0.77 0.00 0.00 66.41 65.79 2glw h THR 23 Cb 0.29 1.52 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 2glw h THR 23 CO -0.00 0.51 0.49 0.03 0.37 0.00 0.00 175.52 176.91 2glw h ARG 24 N 0.55 0.83 0.01 6.66 3.08 -1.33 -1.98 114.38 122.20 2glw h ARG 24 Ca 0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2glw h ARG 24 Cb 0.94 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2glw h ARG 24 CO 0.08 0.55 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.31 2glw h LYS 25 N 0.86 -0.01 -0.85 0.04 1.63 -1.29 -0.23 116.57 116.72 2glw h LYS 25 Ca 0.38 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 60.27 2glw h LYS 25 Cb 0.26 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.84 2glw h LYS 25 CO -0.21 0.28 0.55 0.35 -3.45 0.00 0.00 179.45 176.98 2glw h PHE 26 N -0.31 0.90 0.00 1.91 3.57 -1.28 -1.90 116.94 119.83 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 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2glw h PHE 26 CO 0.03 0.43 -0.58 0.98 -2.23 0.00 0.00 178.31 176.94 2glw n TYR 27 N -4.51 0.48 -2.60 0.41 4.19 -0.77 -4.97 117.16 109.39 2glw n TYR 27 Ca 0.14 0.14 -0.05 0.00 3.31 0.00 0.00 57.90 61.44 2glw n TYR 27 Cb 0.29 -0.61 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 0.54 3.69 2.98 0.00 -0.21 -5.01 105.19 108.55 2glw n GLY 28 Ca 0.04 -0.45 -0.40 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 5.03 0.14 -0.61 1.01 -0.56 -5.05 121.20 118.10 2glw s ILE 29 Ca 0.09 1.32 0.07 0.00 0.00 0.00 0.00 60.65 62.12 2glw s ILE 29 Cb -0.04 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2glw s ILE 29 CO 0.15 0.18 -0.15 -0.70 0.00 0.00 0.00 174.94 174.42 2glw s GLU 30 N 1.33 1.13 0.30 2.79 2.12 -1.26 -4.88 118.70 120.24 2glw s GLU 30 Ca 0.33 -1.34 -0.29 0.00 0.36 0.00 0.00 54.97 54.03 2glw s GLU 30 Cb -0.17 -1.04 -0.13 0.00 0.26 0.00 0.00 34.13 33.06 2glw s GLU 30 CO 0.14 0.20 1.36 1.04 -0.54 0.00 0.00 175.26 177.45 2glw n GLN 31 N 0.33 2.13 0.00 4.30 6.02 -1.26 -1.88 117.38 127.01 2glw n GLN 31 Ca -0.14 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.60 2glw n GLN 31 Cb 0.58 -2.38 0.00 0.00 1.02 0.00 0.00 30.24 29.46 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 1.45 2.11 3.82 1.08 0.00 -0.87 -5.00 105.19 107.78 2glw n GLY 32 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.76 5.78 -0.08 1.61 1.01 -0.79 -4.67 116.67 117.77 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 41.40 2glw s ASP 33 CO 0.00 -1.17 -0.09 -0.36 0.21 0.00 0.00 175.17 173.76 2glw s PHE 34 N -2.82 2.88 0.09 4.23 0.40 -1.02 -1.48 117.98 120.27 2glw s PHE 34 Ca 0.60 -0.11 0.06 0.00 -0.60 0.00 0.00 56.93 56.87 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 0.46 0.22 -0.14 0.14 0.70 0.00 0.00 175.22 176.59 2glw s VAL 35 N -0.58 1.22 -0.18 -0.44 -7.23 -0.70 -0.56 120.40 111.93 2glw s VAL 35 Ca 0.09 -1.50 -0.02 0.00 -1.81 0.00 0.00 61.98 58.74 2glw s VAL 35 Cb -0.12 -1.29 -0.01 0.00 0.56 0.00 0.00 36.38 35.53 2glw s VAL 35 CO 0.02 -0.31 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.71 2glw s GLU 36 N -2.16 3.33 0.04 4.82 2.12 -0.34 -1.83 118.70 124.68 2glw s GLU 36 Ca 0.03 -0.67 -0.01 0.00 0.36 0.00 0.00 54.97 54.68 2glw s GLU 36 Cb -0.08 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 2glw s GLU 36 CO 0.03 -0.05 -0.03 -1.50 -0.54 0.00 0.00 175.26 173.16 2glw s ILE 37 N 1.05 0.21 0.03 -3.70 2.07 -0.95 0.12 121.20 120.04 2glw s ILE 37 Ca -0.00 -1.60 0.03 0.00 -1.41 0.00 0.00 60.65 57.68 2glw s ILE 37 Cb -0.15 -1.22 -0.02 0.00 0.13 0.00 0.00 42.46 41.20 2glw s ILE 37 CO -0.02 -0.87 -0.10 -0.75 -1.91 0.00 0.00 174.94 171.29 2glw s LYS 38 N -3.32 0.70 0.13 3.50 2.20 -0.06 -2.17 119.74 120.73 2glw s LYS 38 Ca 0.02 -0.65 0.08 0.00 -0.36 0.00 0.00 55.97 55.06 2glw s LYS 38 Cb 0.04 -0.63 -0.04 0.00 -1.51 0.00 0.00 37.83 35.68 2glw s LYS 38 CO -0.08 0.15 -0.14 0.96 -0.36 0.00 0.00 175.35 175.89 2glw s ILE 39 N -0.88 3.07 -0.03 5.43 -4.36 -0.14 -1.16 121.20 123.13 2glw s ILE 39 Ca -0.02 -1.48 -0.00 0.00 -0.26 0.00 0.00 60.65 58.89 2glw s ILE 39 Cb -0.07 -2.45 0.03 0.00 1.25 0.00 0.00 42.46 41.22 2glw s ILE 39 CO 0.01 0.05 0.02 -0.69 0.24 0.00 0.00 174.94 174.56 2glw s VAL 40 N -1.31 0.10 0.02 8.37 1.01 -0.80 -1.87 120.40 125.92 2glw s VAL 40 Ca 0.21 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.39 2glw s VAL 40 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 2glw s VAL 40 CO 0.12 0.15 -0.10 -0.75 0.00 0.00 0.00 175.10 174.53 2glw s LYS 41 N 1.30 0.68 -0.18 2.72 2.20 -0.78 -2.68 119.74 123.01 2glw s LYS 41 Ca -0.06 -0.55 -0.06 0.00 -0.36 0.00 0.00 55.97 54.94 2glw s LYS 41 Cb -0.13 -0.61 -0.04 0.00 -1.51 0.00 0.00 37.83 35.54 2glw s LYS 41 CO -0.02 0.15 0.03 -0.47 -0.36 0.00 0.00 175.35 174.67 2glw s TYR 42 N -0.70 3.16 -0.04 4.03 5.04 -1.26 -1.23 117.35 126.34 2glw s TYR 42 Ca -0.01 -0.09 0.01 0.00 -2.44 0.00 0.00 57.07 54.54 2glw s TYR 42 Cb -0.06 -2.04 0.02 0.00 0.35 0.00 0.00 41.96 40.22 2glw s TYR 42 CO 0.00 0.06 -0.06 -1.83 -1.34 0.00 0.00 175.55 172.38 2glw s GLU 43 N 0.43 0.93 7.94 4.97 -1.05 -1.13 -4.99 118.70 125.79 2glw s GLU 43 Ca 0.00 -0.18 0.00 0.00 -0.15 0.00 0.00 54.97 54.65 2glw s GLU 43 Cb -0.13 -0.88 0.00 0.00 -0.44 0.00 0.00 34.13 32.68 2glw s GLU 43 CO 0.01 -0.02 0.00 0.41 0.95 0.00 0.00 175.26 176.61 2glw n GLY 44 N 3.81 3.76 1.19 -3.83 0.00 -1.26 -1.90 105.19 106.96 2glw n GLY 44 Ca -0.23 -0.05 0.08 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 3.27 -4.02 1.61 0.28 -1.26 -4.93 120.64 129.58 2glw n GLU 45 Ca 0.00 -2.63 -0.25 0.00 -0.16 0.00 0.00 57.16 54.12 2glw n GLU 45 Cb 0.00 -1.68 -0.17 0.00 1.43 0.00 0.00 31.44 31.02 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 -1.71 1.30 0.32 3.44 -1.05 -0.80 -5.13 118.70 115.07 2glw s GLU 46 Ca 0.42 -0.19 -0.27 0.00 -0.15 0.00 0.00 54.97 54.77 2glw s GLU 46 Cb 0.27 -1.35 -0.09 0.00 -0.44 0.00 0.00 34.13 32.52 2glw s GLU 46 CO 0.20 -0.20 1.06 -2.14 0.95 0.00 0.00 175.26 175.13 2glw s PRO 47 N 1.49 4.49 0.12 -4.83 0.02 -1.26 -2.82 135.00 132.21 2glw s PRO 47 Ca -0.00 1.65 0.11 0.00 0.02 0.00 0.00 61.00 62.77 2glw s PRO 47 Cb -0.13 -2.95 -0.04 0.00 0.02 0.00 0.00 34.50 31.40 2glw s PRO 47 CO -0.05 0.12 -0.26 0.15 -0.33 0.00 0.00 177.00 176.63 2glw s LYS 48 N -1.82 1.38 0.19 5.54 1.02 -0.37 -4.97 119.74 120.71 2glw s LYS 48 Ca 0.49 -1.31 0.00 0.00 0.02 0.00 0.00 55.97 55.17 2glw s LYS 48 Cb -0.27 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 2glw s LYS 48 CO 0.34 0.43 0.07 -1.21 -0.92 0.00 0.00 175.35 174.07 2glw s GLU 49 N -2.00 1.18 -0.26 1.68 2.02 -1.26 -1.86 118.70 118.20 2glw s GLU 49 Ca 0.13 -1.60 -0.20 0.00 0.02 0.00 0.00 54.97 53.32 2glw s GLU 49 Cb -0.10 -0.01 0.07 0.00 0.10 0.00 0.00 34.13 34.19 2glw s GLU 49 CO 0.06 -0.27 0.66 0.20 0.02 0.00 0.00 175.26 175.92 2glw s GLY 50 N -3.18 -0.54 -0.03 -1.39 0.00 -0.78 -4.85 107.32 96.55 2glw s GLY 50 Ca 0.32 2.05 0.06 0.00 0.00 0.00 0.00 44.72 47.15 2glw s GLY 50 CO 0.08 1.90 -0.22 -1.59 0.00 0.00 0.00 173.10 173.27 2glw s THR 51 N 0.87 1.75 0.30 0.90 2.01 -1.26 -0.96 115.64 119.24 2glw s THR 51 Ca -0.04 -0.92 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 2glw s THR 51 Cb -0.05 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 71.01 2glw s THR 51 CO -0.07 0.49 0.63 0.72 -0.69 0.00 0.00 174.62 175.70 2glw s PHE 52 N -0.32 0.19 -0.07 4.92 -0.71 -0.92 -5.02 117.98 116.04 2glw s PHE 52 Ca 0.03 -0.64 -0.01 0.00 -1.04 0.00 0.00 56.93 55.28 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 -1.21 -0.01 0.99 -1.34 0.00 0.00 175.22 173.66 2glw s THR 53 N -3.55 4.21 -0.00 -4.49 2.01 -1.26 -2.23 115.64 110.32 2glw s THR 53 Ca 0.18 -0.32 -0.02 0.00 0.31 0.00 0.00 61.69 61.84 2glw s THR 53 Cb -0.03 -2.77 -0.00 0.00 0.01 0.00 0.00 72.50 69.70 2glw s THR 53 CO 0.10 0.58 0.04 0.00 -0.69 0.00 0.00 174.62 174.65 2glw s ALA 54 N -0.89 -0.09 0.10 7.40 0.00 -0.76 -5.01 121.76 122.50 2glw s ALA 54 Ca 0.14 -0.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.89 2glw s ALA 54 Cb -0.11 0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.96 2glw s ALA 54 CO 0.03 -0.09 0.42 0.50 0.00 0.00 0.00 175.76 176.61 2glw s ARG 55 N -0.63 3.77 -0.06 0.00 3.52 -1.26 -1.71 118.95 122.58 2glw s ARG 55 Ca -0.07 0.19 -0.30 0.00 -0.13 0.00 0.00 55.73 55.42 2glw s ARG 55 Cb -0.04 -2.96 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 2glw s ARG 55 CO -0.00 0.53 1.08 0.08 -0.81 0.00 0.00 175.30 176.18 2glw s VAL 56 N -1.44 4.57 0.00 7.11 1.01 -0.55 -4.76 120.40 126.34 2glw s VAL 56 Ca 0.35 1.86 0.00 0.00 0.00 0.00 0.00 61.98 64.18 2glw s VAL 56 Cb -0.14 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.05 2glw s VAL 56 CO 0.19 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2glw n GLY 57 N 3.15 2.63 3.72 4.51 0.00 -0.95 -2.05 105.19 116.19 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 -0.34 2.26 -1.49 1.61 2.12 -1.26 -2.35 118.70 119.25 2glw s GLU 58 Ca 0.00 1.86 0.00 0.00 0.36 0.00 0.00 54.97 57.19 2glw s GLU 58 Cb 0.00 -1.84 0.00 0.00 0.26 0.00 0.00 34.13 32.55 2glw s GLU 58 CO 0.00 -1.77 0.00 1.04 -0.54 0.00 0.00 175.26 173.99 2glw n GLN 59 N -2.46 -1.39 -1.25 4.30 6.02 -1.26 -2.12 117.38 119.22 2glw n GLN 59 Ca 0.14 0.83 -0.07 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 26.59 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 0.88 3.81 1.08 0.00 -0.99 -4.70 105.19 104.94 2glw n GLY 60 Ca -0.15 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 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 6.96 0.02 1.61 1.04 -0.90 -3.08 113.70 116.43 2glw s SER 61 Ca 0.00 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.21 2glw s SER 61 Cb 0.00 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.55 2glw s SER 61 CO 0.00 -0.35 -0.03 0.54 0.98 0.00 0.00 173.24 174.39 2glw s VAL 62 N -1.98 0.11 -0.22 5.02 0.11 -0.66 -2.25 120.40 120.52 2glw s VAL 62 Ca 0.59 -0.66 -0.06 0.00 -2.93 0.00 0.00 61.98 58.92 2glw s VAL 62 Cb -0.13 -0.22 -0.02 0.00 -1.53 0.00 0.00 36.38 34.48 2glw s VAL 62 CO 0.17 -0.35 0.01 -0.63 -3.33 0.00 0.00 175.10 170.98 2glw s ILE 63 N -1.04 3.94 0.31 7.04 -1.09 -1.26 -1.94 121.20 127.15 2glw s ILE 63 Ca -0.11 -0.31 -0.27 0.00 -2.23 0.00 0.00 60.65 57.73 2glw s ILE 63 Cb -0.07 -2.81 -0.09 0.00 -1.58 0.00 0.00 42.46 37.91 2glw s ILE 63 CO -0.01 0.40 0.98 -0.63 -1.23 0.00 0.00 174.94 174.44 2glw s ILE 64 N 1.34 4.02 0.19 2.92 1.01 -0.97 -4.94 121.20 124.76 2glw s ILE 64 Ca 0.04 1.78 -0.31 0.00 0.00 0.00 0.00 60.65 62.17 2glw s ILE 64 Cb -0.15 -4.04 -0.10 0.00 0.01 0.00 0.00 42.46 38.19 2glw s ILE 64 CO 0.01 0.24 1.52 -2.16 0.00 0.00 0.00 174.94 174.55 2glw s PRO 65 N -1.83 4.24 0.43 2.79 0.04 -1.26 -4.82 135.00 134.59 2glw s PRO 65 Ca 0.48 2.32 0.15 0.00 0.04 0.00 0.00 61.00 64.00 2glw s PRO 65 Cb -0.22 -3.15 1.04 0.00 0.04 0.00 0.00 34.50 32.21 2glw s PRO 65 CO 0.28 -0.54 1.94 -0.22 0.04 0.00 0.00 177.00 178.50 2glw h LYS 66 N 6.28 0.41 -0.81 4.56 3.64 -1.94 -1.30 116.57 127.42 2glw h LYS 66 Ca -0.44 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 58.96 2glw h LYS 66 Cb 1.21 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 2glw h LYS 66 CO 0.87 0.27 0.53 0.00 -2.27 0.00 0.00 179.45 178.85 2glw h ALA 67 N 1.66 1.52 0.02 5.00 0.00 -2.01 -1.62 119.26 123.83 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 0.73 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2glw h ALA 67 CO -0.10 0.40 -0.95 -0.07 0.00 0.00 0.00 179.25 178.53 2glw h LEU 68 N 0.99 0.24 -0.52 0.00 3.38 -1.63 -3.04 115.31 114.74 2glw h LEU 68 Ca 0.32 -0.21 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 0.27 0.03 0.09 0.00 0.00 178.44 179.79 2glw h ARG 69 N 0.09 0.52 -0.12 1.13 3.08 -0.95 -1.83 114.38 116.31 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 0.34 -0.12 -0.44 -1.07 0.00 0.00 179.97 178.82 2glw h ASP 70 N 0.53 0.31 -0.83 7.04 3.32 -1.46 -1.57 116.42 123.75 2glw h ASP 70 Ca 0.22 -0.49 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 2glw h ASP 70 Cb 0.11 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 2glw h ASP 70 CO -0.14 0.73 0.52 0.58 -1.72 0.00 0.00 179.24 179.21 2glw h VAL 71 N -0.11 1.23 0.00 -1.35 2.07 -1.43 -2.42 116.25 114.24 2glw h VAL 71 Ca 0.02 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2glw h VAL 71 Cb 0.65 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2glw h VAL 71 CO 0.03 0.23 -0.26 0.40 0.02 0.00 0.00 177.57 177.99 2glw h ILE 72 N 1.15 0.00 -1.13 4.57 2.04 -1.32 -3.48 117.51 119.34 2glw h ILE 72 Ca 0.30 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 2glw h ILE 72 Cb -0.07 1.42 0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2glw h ILE 72 CO -0.06 0.00 -0.09 0.61 0.00 0.00 0.00 178.15 178.61 2glw n GLY 73 N 1.28 0.50 3.82 5.37 0.00 -0.65 -4.87 105.19 110.65 2glw n GLY 73 Ca 0.04 -0.64 -0.38 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 -2.63 4.80 0.15 -0.61 -1.09 -0.85 -5.06 121.20 115.91 2glw s ILE 74 Ca 0.05 1.09 0.05 0.00 -2.23 0.00 0.00 60.65 59.61 2glw s ILE 74 Cb -0.02 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 2glw s ILE 74 CO 0.06 0.49 -0.11 -0.54 -1.23 0.00 0.00 174.94 173.61 2glw s LYS 75 N -1.29 1.09 0.22 2.79 1.02 -1.26 -4.87 119.74 117.44 2glw s LYS 75 Ca 0.30 -1.44 -0.32 0.00 0.02 0.00 0.00 55.97 54.53 2glw s LYS 75 Cb -0.18 -0.73 -0.14 0.00 -0.52 0.00 0.00 37.83 36.26 2glw s LYS 75 CO 0.18 0.10 1.44 -2.30 -0.92 0.00 0.00 175.35 173.85 2glw n PRO 76 N -0.12 2.02 -0.40 -1.68 -0.02 -1.26 -2.21 135.00 131.33 2glw n PRO 76 Ca -0.11 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2glw n PRO 76 Cb 0.60 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 2.43 0.70 3.79 -1.23 0.00 -0.63 -4.96 105.19 105.28 2glw n GLY 77 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.60 3.96 -0.08 1.61 2.02 -0.94 -4.88 118.70 119.79 2glw s GLU 78 Ca 0.00 -0.02 -0.17 0.00 0.02 0.00 0.00 54.97 54.79 2glw s GLU 78 Cb 0.00 -3.33 -0.05 0.00 0.10 0.00 0.00 34.13 30.85 2glw s GLU 78 CO 0.00 0.47 0.45 0.54 0.02 0.00 0.00 175.26 176.74 2glw s VAL 79 N -0.18 5.13 0.24 2.63 0.11 -1.26 -2.16 120.40 124.91 2glw s VAL 79 Ca 0.14 0.91 0.10 0.00 -2.93 0.00 0.00 61.98 60.21 2glw s VAL 79 Cb -0.13 -3.78 -0.05 0.00 -1.53 0.00 0.00 36.38 30.89 2glw s VAL 79 CO 0.03 0.40 -0.18 0.27 -3.33 0.00 0.00 175.10 172.29 2glw s ILE 80 N 0.12 2.20 -0.17 7.04 -4.36 -0.27 -4.92 121.20 120.83 2glw s ILE 80 Ca 0.25 -2.30 -0.11 0.00 -0.26 0.00 0.00 60.65 58.23 2glw s ILE 80 Cb -0.16 -2.18 -0.05 0.00 1.25 0.00 0.00 42.46 41.32 2glw s ILE 80 CO 0.11 -0.44 0.18 -0.70 0.24 0.00 0.00 174.94 174.33 2glw s GLU 81 N -3.46 4.09 -0.12 0.37 2.12 -1.09 -2.42 118.70 118.18 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 -0.04 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 2glw s GLU 81 CO 0.12 0.36 -0.17 0.08 -0.54 0.00 0.00 175.26 175.11 2glw s VAL 82 N 0.15 2.70 -0.11 3.70 1.01 -0.23 -1.90 120.40 125.72 2glw s VAL 82 Ca 0.12 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2glw s VAL 82 Cb -0.12 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 2glw s VAL 82 CO 0.01 0.54 -0.16 -0.76 0.00 0.00 0.00 175.10 174.72 2glw s LEU 83 N 0.36 2.53 0.24 3.92 1.43 -0.31 -2.31 118.68 124.54 2glw s LEU 83 Ca -0.14 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 2glw s LEU 83 Cb -0.17 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 2glw s LEU 83 CO 0.07 0.18 0.93 -0.76 0.23 0.00 0.00 176.35 177.00 2glw s LEU 84 N 0.25 4.63 -0.11 1.79 1.43 -0.80 -0.88 118.68 124.99 2glw s LEU 84 Ca -0.11 1.93 0.09 0.00 -1.03 0.00 0.00 54.13 55.00 2glw s LEU 84 Cb -0.16 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.33 2glw s LEU 84 CO 0.06 0.15 0.02 0.18 0.23 0.00 0.00 176.35 176.99 2glw n LEU 85 N 1.46 0.36 -3.89 1.79 4.77 0.12 -2.18 117.00 119.43 2glw n LEU 85 Ca -0.02 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.92 2glw n LEU 85 Cb 0.47 0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.76 2glw n LEU 85 CO 0.50 0.32 0.81 -0.83 -1.33 0.00 0.00 177.39 176.86 2glw s GLY 86 N -4.45 0.14 0.01 -0.72 0.00 -0.98 -4.77 107.32 96.55 2glw s GLY 86 Ca -0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 44.72 44.26 2glw s GLY 86 CO 0.43 2.52 0.00 -2.38 0.00 0.00 0.00 173.10 173.67 2glw s HIS 87 N -2.12 0.12 -0.01 1.90 -3.43 -1.26 -1.20 115.29 109.29 2glw s HIS 87 Ca 0.22 -0.25 0.03 0.00 -0.80 0.00 0.00 55.06 54.27 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 -0.11 0.71 -2.00 0.00 0.00 174.74 173.28 2glw s TYR 88 N -0.82 1.02 0.48 0.38 2.02 0.28 -4.96 117.35 115.75 2glw s TYR 88 Ca -0.09 -0.21 -0.11 0.00 -0.37 0.00 0.00 57.07 56.29 2glw s TYR 88 Cb -0.06 -0.67 -0.06 0.00 -0.40 0.00 0.00 41.96 40.77 2glw s TYR 88 CO -0.00 -0.04 0.87 -1.59 -1.57 0.00 0.00 175.55 173.22 2glw s LYS 89 N -0.16 3.76 0.41 -0.62 -2.85 -1.26 -2.44 119.74 116.58 2glw s LYS 89 Ca 0.02 0.60 -0.25 0.00 -1.00 0.00 0.00 55.97 55.34 2glw s LYS 89 Cb -0.05 -2.27 -0.10 0.00 -2.06 0.00 0.00 37.83 33.34 2glw s LYS 89 CO -0.00 -0.21 1.18 -2.30 0.10 0.00 0.00 175.35 174.12 2glw n PRO 90 N -1.75 1.75 -4.65 1.78 -0.02 -1.26 -4.86 135.00 125.99 2glw n PRO 90 Ca 0.04 0.62 -0.23 0.00 -2.02 0.00 0.00 63.50 61.91 2glw n PRO 90 Cb 0.54 -2.25 -0.15 0.00 -0.02 0.00 0.00 33.50 31.62 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 -2.09 1.20 0.00 -0.52 3.52 -1.26 -5.14 118.95 114.66 2glw s ARG 91 Ca 0.61 -0.61 0.29 0.00 -0.13 0.00 0.00 55.73 55.89 2glw s ARG 91 Cb -0.54 -1.18 1.31 0.00 -1.56 0.00 0.00 34.95 32.98 2glw s ARG 91 CO 0.58 0.32 1.89 0.09 -0.81 0.00 0.00 175.30 177.37