#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgu s GLN 2 N 0.00 3.65 -0.09 -0.52 0.74 -1.26 -5.07 119.66 117.11 1sgu s GLN 2 Ca 0.00 0.03 0.01 0.00 0.05 0.00 0.00 55.36 55.45 1sgu s GLN 2 Cb 0.00 -3.08 0.02 0.00 1.10 0.00 0.00 33.01 31.05 1sgu s GLN 2 CO 0.00 0.64 -0.09 0.42 -0.55 0.00 0.00 175.29 175.71 1sgu s ILE 3 N -1.28 1.05 0.73 -2.34 1.01 -1.26 -5.14 121.20 113.97 1sgu s ILE 3 Ca 0.27 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.49 1sgu s ILE 3 Cb -0.14 -1.02 0.06 0.00 0.01 0.00 0.00 42.46 41.37 1sgu s ILE 3 CO 0.15 0.36 1.05 0.42 0.00 0.00 0.00 174.94 176.92 1sgu s THR 4 N 1.27 2.31 -0.24 2.92 -4.23 -1.26 -5.02 115.64 111.39 1sgu s THR 4 Ca -0.03 -0.16 0.13 0.00 -1.18 0.00 0.00 61.69 60.44 1sgu s THR 4 Cb -0.14 -3.04 0.52 0.00 1.34 0.00 0.00 72.50 71.19 1sgu s THR 4 CO -0.03 -0.04 1.46 0.18 -0.54 0.00 0.00 174.62 175.64 1sgu n LEU 5 N -3.01 4.11 0.23 4.79 4.77 -1.26 -4.51 117.00 122.13 1sgu n LEU 5 Ca 0.08 -3.38 0.15 0.00 -0.03 0.00 0.00 56.01 52.83 1sgu n LEU 5 Cb 0.60 -0.60 0.56 0.00 -2.33 0.00 0.00 43.42 41.65 1sgu n LEU 5 CO 0.54 0.95 0.94 -0.50 -1.33 0.00 0.00 177.39 177.98 1sgu h TRP 6 N 1.38 0.00 -3.48 -1.77 4.06 -2.07 -3.44 115.95 110.64 1sgu h TRP 6 Ca 0.13 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.77 1sgu h TRP 6 Cb 1.60 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.62 1sgu h TRP 6 CO 0.78 0.00 -0.71 -0.65 -3.56 0.00 0.00 178.44 174.30 1sgu s GLN 7 N -3.50 1.01 0.25 0.49 -0.21 -1.26 -5.11 119.66 111.33 1sgu s GLN 7 Ca 0.03 -1.42 -0.31 0.00 0.02 0.00 0.00 55.36 53.68 1sgu s GLN 7 Cb 0.09 -0.55 -0.13 0.00 1.00 0.00 0.00 33.01 33.42 1sgu s GLN 7 CO 0.54 0.06 1.43 0.54 -2.12 0.00 0.00 175.29 175.74 1sgu n ARG 8 N -0.14 2.14 -2.16 2.91 1.74 -1.26 -4.85 116.66 115.04 1sgu n ARG 8 Ca -0.11 0.76 -0.43 0.00 -0.77 0.00 0.00 57.85 57.31 1sgu n ARG 8 Cb 0.60 -2.43 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 1sgu n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1sgu n PRO 9 N 2.00 3.05 -3.04 5.56 -0.04 -1.26 -4.96 135.00 136.31 1sgu n PRO 9 Ca 0.11 -2.97 -0.37 0.00 -0.04 0.00 0.00 63.50 60.23 1sgu n PRO 9 Cb 0.32 -3.36 -0.06 0.00 -0.04 0.00 0.00 33.50 30.36 1sgu n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sgu s LEU 10 N 2.96 4.41 0.04 1.53 1.43 -1.26 -0.69 118.68 127.11 1sgu s LEU 10 Ca 0.50 1.52 0.03 0.00 -1.03 0.00 0.00 54.13 55.14 1sgu s LEU 10 Cb 0.09 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 1sgu s LEU 10 CO -0.01 0.08 -0.09 0.68 0.23 0.00 0.00 176.35 177.23 1sgu s VAL 11 N -1.42 0.68 -0.05 -1.59 -7.23 -0.21 -4.94 120.40 105.64 1sgu s VAL 11 Ca 0.41 -1.04 -0.18 0.00 -1.81 0.00 0.00 61.98 59.36 1sgu s VAL 11 Cb -0.19 -0.70 -0.05 0.00 0.56 0.00 0.00 36.38 36.00 1sgu s VAL 11 CO 0.23 -0.28 0.50 -0.89 -0.31 0.00 0.00 175.10 174.34 1sgu s THR 12 N -1.21 5.04 0.19 5.32 2.01 -1.26 -1.19 115.64 124.54 1sgu s THR 12 Ca -0.07 1.02 0.04 0.00 0.31 0.00 0.00 61.69 62.99 1sgu s THR 12 Cb -0.09 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 1sgu s THR 12 CO 0.01 0.43 -0.05 0.27 -0.69 0.00 0.00 174.62 174.59 1sgu s ILE 13 N -0.12 1.08 -0.08 1.82 -5.25 -0.01 -1.87 121.20 116.76 1sgu s ILE 13 Ca 0.27 -2.05 0.02 0.00 -0.99 0.00 0.00 60.65 57.90 1sgu s ILE 13 Cb -0.17 -2.12 0.01 0.00 2.95 0.00 0.00 42.46 43.14 1sgu s ILE 13 CO 0.13 -0.51 -0.13 -0.75 -1.79 0.00 0.00 174.94 171.89 1sgu s LYS 14 N -3.81 1.85 -0.11 0.37 2.20 -0.47 -2.13 119.74 117.63 1sgu s LYS 14 Ca 0.23 -0.44 -0.06 0.00 -0.36 0.00 0.00 55.97 55.34 1sgu s LYS 14 Cb 0.04 -1.58 0.05 0.00 -1.51 0.00 0.00 37.83 34.83 1sgu s LYS 14 CO 0.05 -0.03 0.27 -1.50 -0.36 0.00 0.00 175.35 173.78 1sgu s ILE 15 N 0.88 -0.06 -1.64 5.43 2.07 -0.49 -0.86 121.20 126.52 1sgu s ILE 15 Ca -0.10 0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 1sgu s ILE 15 Cb -0.15 -0.41 0.00 0.00 0.13 0.00 0.00 42.46 42.03 1sgu s ILE 15 CO 0.01 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.71 1sgu n GLY 16 N 4.30 -0.36 2.81 1.50 0.00 -1.26 -1.04 105.19 111.14 1sgu n GLY 16 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1sgu n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgu n GLY 17 N -0.93 0.80 3.69 -0.02 0.00 -1.26 -5.01 105.19 102.47 1sgu n GLY 17 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1sgu n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sgu s GLN 18 N -0.09 2.72 -0.07 1.61 -0.21 -0.21 -5.12 119.66 118.29 1sgu s GLN 18 Ca 0.00 -0.69 -0.02 0.00 0.02 0.00 0.00 55.36 54.67 1sgu s GLN 18 Cb 0.00 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.34 1sgu s GLN 18 CO 0.00 0.59 0.04 -0.51 -2.12 0.00 0.00 175.29 173.29 1sgu s LEU 19 N -1.86 3.78 0.28 2.90 1.43 -1.26 -1.40 118.68 122.54 1sgu s LEU 19 Ca 0.22 0.20 -0.21 0.00 -1.03 0.00 0.00 54.13 53.31 1sgu s LEU 19 Cb -0.12 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.19 1sgu s LEU 19 CO 0.14 0.36 0.76 -0.13 0.23 0.00 0.00 176.35 177.71 1sgu s ARG 20 N -1.08 1.77 0.09 1.70 0.52 -0.90 -5.02 118.95 116.03 1sgu s ARG 20 Ca 0.15 -1.00 0.06 0.00 -0.52 0.00 0.00 55.73 54.42 1sgu s ARG 20 Cb -0.12 0.59 -0.04 0.00 0.52 0.00 0.00 34.95 35.90 1sgu s ARG 20 CO 0.05 -0.81 -0.08 -1.21 0.02 0.00 0.00 175.30 173.27 1sgu s GLU 21 N -3.66 2.27 0.03 3.54 2.02 -1.26 -0.83 118.70 120.81 1sgu s GLU 21 Ca 0.12 -0.95 -0.06 0.00 0.02 0.00 0.00 54.97 54.10 1sgu s GLU 21 Cb -0.05 -2.38 -0.01 0.00 0.10 0.00 0.00 34.13 31.79 1sgu s GLU 21 CO 0.07 0.53 0.10 0.00 0.02 0.00 0.00 175.26 175.98 1sgu s ALA 22 N -1.20 -0.11 -0.05 5.21 0.00 -0.34 -4.57 121.76 120.70 1sgu s ALA 22 Ca 0.22 -0.48 -0.22 0.00 0.00 0.00 0.00 51.96 51.47 1sgu s ALA 22 Cb -0.11 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1sgu s ALA 22 CO 0.14 -0.30 0.66 -1.17 0.00 0.00 0.00 175.76 175.08 1sgu s LEU 23 N -2.00 4.35 -0.31 0.00 2.96 -0.40 -1.05 118.68 122.23 1sgu s LEU 23 Ca -0.07 1.17 -0.29 0.00 -0.22 0.00 0.00 54.13 54.72 1sgu s LEU 23 Cb -0.02 -3.02 -0.00 0.00 0.50 0.00 0.00 46.19 43.64 1sgu s LEU 23 CO -0.04 -0.04 1.43 -0.76 -1.32 0.00 0.00 176.35 175.63 1sgu s LEU 24 N 0.46 3.79 -0.39 -0.68 1.43 0.13 -0.99 118.68 122.43 1sgu s LEU 24 Ca 0.35 1.22 0.03 0.00 -1.03 0.00 0.00 54.13 54.70 1sgu s LEU 24 Cb -0.18 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.62 1sgu s LEU 24 CO 0.18 -1.25 0.13 -0.62 0.23 0.00 0.00 176.35 175.02 1sgu s ASP 25 N 3.61 4.41 0.48 2.29 -1.08 -0.66 -4.75 116.67 120.97 1sgu s ASP 25 Ca 0.63 -2.32 0.32 0.00 -0.52 0.00 0.00 52.55 50.66 1sgu s ASP 25 Cb -0.18 -1.43 1.62 0.00 -1.46 0.00 0.00 42.92 41.46 1sgu s ASP 25 CO 0.28 -0.34 1.98 0.71 0.52 0.00 0.00 175.17 178.32 1sgu h THR 26 N 6.17 0.00 -0.00 1.71 1.35 -1.93 -2.01 112.91 118.20 1sgu h THR 26 Ca -0.06 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1sgu h THR 26 Cb 0.98 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1sgu h THR 26 CO 0.55 0.00 -0.21 0.61 -0.25 0.00 0.00 175.52 176.22 1sgu n GLY 27 N -0.72 -1.36 3.72 5.82 0.00 -1.26 -4.82 105.19 106.57 1sgu n GLY 27 Ca -0.01 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1sgu n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgu s ALA 28 N -2.96 3.64 0.13 4.61 0.00 -0.76 -4.98 121.76 121.45 1sgu s ALA 28 Ca 0.14 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.45 1sgu s ALA 28 Cb 0.18 -2.10 -0.14 0.00 0.00 0.00 0.00 23.12 21.06 1sgu s ALA 28 CO 0.59 0.20 1.30 -0.44 0.00 0.00 0.00 175.76 177.41 1sgu h ASP 29 N 6.56 0.11 -1.11 0.00 3.32 -1.87 0.11 116.42 123.53 1sgu h ASP 29 Ca -0.41 -0.11 -0.61 0.00 0.02 0.00 0.00 57.03 55.91 1sgu h ASP 29 Cb 1.16 -0.04 -0.10 0.00 0.22 0.00 0.00 39.33 40.57 1sgu h ASP 29 CO 0.74 1.03 -0.49 -1.81 -1.72 0.00 0.00 179.24 176.98 1sgu s ASP 30 N -6.83 4.26 -0.14 6.45 1.01 -1.26 -2.73 116.67 117.43 1sgu s ASP 30 Ca -0.01 -1.32 -0.02 0.00 0.71 0.00 0.00 52.55 51.92 1sgu s ASP 30 Cb 0.10 -0.05 -0.02 0.00 1.01 0.00 0.00 42.92 43.96 1sgu s ASP 30 CO 0.83 -0.70 -0.09 -0.89 0.21 0.00 0.00 175.17 174.53 1sgu s THR 31 N -2.73 3.39 0.00 -1.27 2.01 -1.26 -2.53 115.64 113.25 1sgu s THR 31 Ca 0.29 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.76 1sgu s THR 31 Cb 0.04 -2.45 -0.00 0.00 0.01 0.00 0.00 72.50 70.09 1sgu s THR 31 CO 0.16 0.51 -0.03 -0.51 -0.69 0.00 0.00 174.62 174.07 1sgu s ILE 32 N 0.37 0.18 0.07 1.82 2.07 -0.24 -0.58 121.20 124.89 1sgu s ILE 32 Ca -0.08 -0.22 0.05 0.00 -1.41 0.00 0.00 60.65 59.00 1sgu s ILE 32 Cb -0.15 -0.18 -0.03 0.00 0.13 0.00 0.00 42.46 42.23 1sgu s ILE 32 CO 0.04 -0.02 -0.15 -0.36 -1.91 0.00 0.00 174.94 172.54 1sgu s PHE 33 N -0.25 1.27 0.11 3.50 0.40 -0.30 -0.70 117.98 122.01 1sgu s PHE 33 Ca -0.01 -0.43 0.06 0.00 -0.60 0.00 0.00 56.93 55.95 1sgu s PHE 33 Cb -0.02 -0.72 -0.04 0.00 0.51 0.00 0.00 43.02 42.75 1sgu s PHE 33 CO -0.00 0.07 -0.05 -1.83 0.70 0.00 0.00 175.22 174.11 1sgu s GLU 34 N -1.62 2.32 -0.98 0.44 -1.05 -1.25 -1.52 118.70 115.04 1sgu s GLU 34 Ca -0.01 -0.97 -0.03 0.00 -0.15 0.00 0.00 54.97 53.81 1sgu s GLU 34 Cb -0.10 -2.40 0.00 0.00 -0.44 0.00 0.00 34.13 31.20 1sgu s GLU 34 CO 0.02 0.51 0.83 0.39 0.95 0.00 0.00 175.26 177.97 1sgu n GLU 35 N 0.52 -5.57 -4.09 -4.83 1.02 -1.26 -4.99 120.64 101.43 1sgu n GLU 35 Ca -0.12 0.65 -0.09 0.00 -0.02 0.00 0.00 57.16 57.57 1sgu n GLU 35 Cb 0.53 -5.10 -0.10 0.00 -0.02 0.00 0.00 31.44 26.74 1sgu n GLU 35 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1sgu s ILE 36 N -3.26 0.39 -0.17 -3.67 -4.36 -1.26 -5.15 121.20 103.72 1sgu s ILE 36 Ca 0.20 -1.55 -0.00 0.00 -0.26 0.00 0.00 60.65 59.04 1sgu s ILE 36 Cb -0.09 -1.17 0.00 0.00 1.25 0.00 0.00 42.46 42.45 1sgu s ILE 36 CO 0.56 -0.76 -0.14 -0.55 0.24 0.00 0.00 174.94 174.29 1sgu s SER 37 N -2.45 3.71 0.11 4.36 0.15 -1.26 -5.06 113.70 113.26 1sgu s SER 37 Ca 0.01 -0.48 0.11 0.00 0.70 0.00 0.00 55.95 56.29 1sgu s SER 37 Cb 0.01 -1.59 -0.04 0.00 -1.71 0.00 0.00 66.02 62.69 1sgu s SER 37 CO -0.05 0.05 -0.27 -0.76 1.20 0.00 0.00 173.24 173.41 1sgu s LEU 38 N 1.02 2.31 0.55 3.45 1.43 -1.26 -4.86 118.68 121.31 1sgu s LEU 38 Ca -0.01 -0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 52.34 1sgu s LEU 38 Cb -0.15 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.84 1sgu s LEU 38 CO -0.03 0.19 0.81 -2.16 0.23 0.00 0.00 176.35 175.40 1sgu s PRO 39 N -1.92 2.84 0.25 1.29 0.04 -1.26 -5.02 135.00 131.23 1sgu s PRO 39 Ca 0.14 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.86 1sgu s PRO 39 Cb -0.10 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1sgu s PRO 39 CO 0.05 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.90 1sgu n GLY 40 N -2.40 -2.54 3.76 0.56 0.00 -1.26 -4.96 105.19 98.34 1sgu n GLY 40 Ca 0.04 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 1sgu n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sgu s ARG 41 N -0.66 2.12 0.19 1.61 1.81 -1.26 -5.07 118.95 117.69 1sgu s ARG 41 Ca 0.00 1.20 -0.18 0.00 -1.72 0.00 0.00 55.73 55.03 1sgu s ARG 41 Cb 0.00 -1.88 0.03 0.00 -0.45 0.00 0.00 34.95 32.65 1sgu s ARG 41 CO 0.00 -1.75 0.54 1.67 -0.68 0.00 0.00 175.30 175.08 1sgu s TRP 42 N -2.88 -0.18 -0.03 -0.53 1.48 -1.26 -4.74 118.94 110.80 1sgu s TRP 42 Ca 0.62 -0.15 0.07 0.00 -1.06 0.00 0.00 56.10 55.57 1sgu s TRP 42 Cb -0.18 0.43 -0.01 0.00 -1.16 0.00 0.00 33.47 32.55 1sgu s TRP 42 CO 0.56 -0.92 -0.23 0.15 -4.06 0.00 0.00 176.95 172.45 1sgu s LYS 43 N -3.86 2.00 0.64 3.25 1.02 -0.62 -4.87 119.74 117.29 1sgu s LYS 43 Ca 0.08 -0.82 -0.18 0.00 0.02 0.00 0.00 55.97 55.08 1sgu s LYS 43 Cb -0.01 -1.85 -0.01 0.00 -0.52 0.00 0.00 37.83 35.44 1sgu s LYS 43 CO -0.04 0.45 1.23 -2.14 -0.92 0.00 0.00 175.35 173.93 1sgu s PRO 44 N -0.40 2.66 -0.27 -1.68 0.02 -1.26 -0.29 135.00 133.77 1sgu s PRO 44 Ca 0.05 1.88 -0.21 0.00 0.02 0.00 0.00 61.00 62.74 1sgu s PRO 44 Cb -0.10 -1.88 0.07 0.00 0.02 0.00 0.00 34.50 32.61 1sgu s PRO 44 CO 0.00 -1.47 0.71 0.21 -0.33 0.00 0.00 177.00 176.12 1sgu s LYS 45 N -3.49 0.79 -0.16 5.54 2.20 -0.13 -4.80 119.74 119.69 1sgu s LYS 45 Ca 0.78 1.08 -0.15 0.00 -0.36 0.00 0.00 55.97 57.33 1sgu s LYS 45 Cb -0.32 0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 36.26 1sgu s LYS 45 CO 0.38 -0.12 0.33 -1.64 -0.36 0.00 0.00 175.35 173.94 1sgu s MET 46 N 0.86 4.26 -0.06 4.03 -1.94 -1.26 -0.25 119.30 124.94 1sgu s MET 46 Ca -0.04 0.15 0.05 0.00 -1.71 0.00 0.00 55.69 54.14 1sgu s MET 46 Cb -0.05 -3.44 -0.02 0.00 2.01 0.00 0.00 34.83 33.33 1sgu s MET 46 CO -0.07 0.19 -0.21 -1.50 -0.01 0.00 0.00 175.02 173.43 1sgu s ILE 47 N 0.59 2.44 -0.19 2.53 2.07 0.47 -4.93 121.20 124.19 1sgu s ILE 47 Ca 0.18 -0.93 -0.06 0.00 -1.41 0.00 0.00 60.65 58.42 1sgu s ILE 47 Cb -0.13 -1.92 -0.04 0.00 0.13 0.00 0.00 42.46 40.50 1sgu s ILE 47 CO 0.05 0.57 0.04 -0.83 -1.91 0.00 0.00 174.94 172.86 1sgu s GLY 48 N -0.26 1.84 0.00 1.50 0.00 -1.26 -0.24 107.32 108.89 1sgu s GLY 48 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1sgu s GLY 48 CO 0.03 0.10 0.00 0.61 0.00 0.00 0.00 173.10 173.83 1sgu n GLY 49 N 3.74 5.05 0.28 0.20 0.00 0.29 -5.00 105.19 109.75 1sgu n GLY 49 Ca -0.17 -2.02 0.03 0.00 0.00 0.00 0.00 46.02 43.86 1sgu n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sgu h ILE 50 N 0.71 1.14 -0.23 -0.61 6.09 -2.03 -3.06 117.51 119.52 1sgu h ILE 50 Ca 0.00 -0.44 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1sgu h ILE 50 Cb 0.00 0.76 0.00 0.00 0.47 0.00 0.00 36.82 38.05 1sgu h ILE 50 CO 0.00 0.17 0.00 0.61 -3.07 0.00 0.00 178.15 175.86 1sgu n GLY 51 N -1.22 1.28 0.00 8.18 0.00 -1.26 -5.08 105.19 107.10 1sgu n GLY 51 Ca 0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1sgu n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgu n GLY 52 N 1.26 0.93 3.90 -0.02 0.00 -1.16 -5.11 105.19 104.98 1sgu n GLY 52 Ca 0.15 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 1sgu n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sgu s PHE 53 N -2.33 3.37 -0.02 1.61 0.40 -1.26 -0.55 117.98 119.20 1sgu s PHE 53 Ca 0.00 0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.42 1sgu s PHE 53 Cb 0.00 -1.61 0.01 0.00 0.51 0.00 0.00 43.02 41.92 1sgu s PHE 53 CO 0.00 0.52 -0.05 0.08 0.70 0.00 0.00 175.22 176.46 1sgu s VAL 54 N -1.75 0.50 -0.02 -0.44 1.01 0.66 -4.94 120.40 115.42 1sgu s VAL 54 Ca 0.33 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.88 1sgu s VAL 54 Cb -0.11 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1sgu s VAL 54 CO 0.27 0.17 0.70 -0.54 0.00 0.00 0.00 175.10 175.70 1sgu s LYS 55 N 0.27 4.43 0.19 2.72 1.02 -1.26 -0.39 119.74 126.71 1sgu s LYS 55 Ca -0.03 0.90 -0.02 0.00 0.02 0.00 0.00 55.97 56.84 1sgu s LYS 55 Cb -0.07 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 1sgu s LYS 55 CO -0.00 0.19 0.14 0.14 -0.92 0.00 0.00 175.35 174.90 1sgu s VAL 56 N 0.35 0.02 -0.14 3.17 -7.23 0.66 -4.47 120.40 112.76 1sgu s VAL 56 Ca 0.37 -1.93 -0.08 0.00 -1.81 0.00 0.00 61.98 58.53 1sgu s VAL 56 Cb -0.19 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1sgu s VAL 56 CO 0.19 -0.11 0.15 -0.13 -0.31 0.00 0.00 175.10 174.89 1sgu s ARG 57 N -4.12 3.73 -0.26 4.82 0.52 -0.37 -0.95 118.95 122.32 1sgu s ARG 57 Ca 0.34 -0.14 -0.07 0.00 -0.52 0.00 0.00 55.73 55.34 1sgu s ARG 57 Cb 0.07 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 32.24 1sgu s ARG 57 CO 0.09 0.60 0.07 -1.14 0.02 0.00 0.00 175.30 174.94 1sgu s GLN 58 N -0.53 3.55 -0.16 3.54 0.74 0.60 -1.44 119.66 125.97 1sgu s GLN 58 Ca 0.13 -0.54 -0.03 0.00 0.05 0.00 0.00 55.36 54.96 1sgu s GLN 58 Cb -0.12 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.64 1sgu s GLN 58 CO 0.02 -0.23 -0.04 0.71 -0.55 0.00 0.00 175.29 175.20 1sgu s TYR 59 N 1.59 3.00 0.29 1.67 1.51 -0.29 -1.59 117.35 123.54 1sgu s TYR 59 Ca 0.06 -0.37 0.04 0.00 -1.01 0.00 0.00 57.07 55.78 1sgu s TYR 59 Cb -0.15 -1.97 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 1sgu s TYR 59 CO 0.03 -0.09 0.44 -0.51 -1.11 0.00 0.00 175.55 174.31 1sgu s ASP 60 N 0.47 6.25 -1.41 2.29 1.01 -1.26 -0.75 116.67 123.26 1sgu s ASP 60 Ca -0.04 0.16 -0.05 0.00 0.71 0.00 0.00 52.55 53.32 1sgu s ASP 60 Cb -0.14 -1.82 0.00 0.00 1.01 0.00 0.00 42.92 41.97 1sgu s ASP 60 CO 0.03 -0.21 0.33 0.00 0.21 0.00 0.00 175.17 175.53 1sgu n GLN 61 N -1.58 -2.02 -3.60 8.23 6.02 -1.22 -4.90 117.38 118.32 1sgu n GLN 61 Ca -0.06 0.27 -0.37 0.00 -0.01 0.00 0.00 57.00 56.82 1sgu n GLN 61 Cb 0.57 -3.97 -0.10 0.00 1.02 0.00 0.00 30.24 27.76 1sgu n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1sgu s ILE 62 N -4.02 5.32 0.24 5.09 -1.09 0.10 -4.76 121.20 122.08 1sgu s ILE 62 Ca 0.09 0.23 -0.30 0.00 -2.23 0.00 0.00 60.65 58.44 1sgu s ILE 62 Cb -0.04 -3.54 -0.10 0.00 -1.58 0.00 0.00 42.46 37.20 1sgu s ILE 62 CO 0.93 0.29 1.40 -2.84 -1.23 0.00 0.00 174.94 173.49 1sgu s PRO 63 N 1.39 4.31 -0.12 2.79 0.02 -1.26 -1.95 135.00 140.17 1sgu s PRO 63 Ca 0.08 2.23 -0.09 0.00 0.02 0.00 0.00 61.00 63.25 1sgu s PRO 63 Cb -0.15 -3.13 0.04 0.00 0.02 0.00 0.00 34.50 31.29 1sgu s PRO 63 CO 0.07 -0.36 0.31 -1.50 -0.33 0.00 0.00 177.00 175.20 1sgu s ILE 64 N -0.08 -0.02 -0.31 2.83 2.07 0.15 -4.24 121.20 121.60 1sgu s ILE 64 Ca 0.58 0.07 -0.10 0.00 -1.41 0.00 0.00 60.65 59.78 1sgu s ILE 64 Cb -0.40 -0.46 -0.01 0.00 0.13 0.00 0.00 42.46 41.71 1sgu s ILE 64 CO 0.43 0.03 0.16 -0.70 -1.91 0.00 0.00 174.94 172.95 1sgu s GLU 65 N 0.79 3.44 -0.30 3.50 2.12 -0.04 -1.13 118.70 127.08 1sgu s GLU 65 Ca -0.05 -0.65 -0.04 0.00 0.36 0.00 0.00 54.97 54.59 1sgu s GLU 65 Cb -0.06 -3.59 0.04 0.00 0.26 0.00 0.00 34.13 30.78 1sgu s GLU 65 CO -0.05 -0.38 0.04 0.42 -0.54 0.00 0.00 175.26 174.74 1sgu s ILE 66 N 1.64 3.36 -1.48 -3.70 1.01 0.88 -1.36 121.20 121.55 1sgu s ILE 66 Ca 0.05 -1.16 -0.12 0.00 0.00 0.00 0.00 60.65 59.42 1sgu s ILE 66 Cb -0.17 -2.86 0.09 0.00 0.01 0.00 0.00 42.46 39.52 1sgu s ILE 66 CO 0.07 -0.06 0.76 0.00 0.00 0.00 0.00 174.94 175.71 1sgu n GLY 68 N -1.46 2.53 3.72 0.00 0.00 -1.26 -5.05 105.19 103.67 1sgu n GLY 68 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1sgu n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sgu s HIS 69 N -2.54 3.51 -0.30 1.61 4.02 -0.42 -5.05 115.29 116.13 1sgu s HIS 69 Ca 0.00 0.93 -0.16 0.00 1.02 0.00 0.00 55.06 56.84 1sgu s HIS 69 Cb 0.00 -2.59 -0.02 0.00 -1.02 0.00 0.00 32.58 28.95 1sgu s HIS 69 CO 0.00 0.15 0.44 0.15 1.02 0.00 0.00 174.74 176.50 1sgu s LYS 70 N 0.68 3.85 0.36 1.40 1.02 -1.26 -0.08 119.74 125.71 1sgu s LYS 70 Ca 0.27 -0.03 0.06 0.00 0.02 0.00 0.00 55.97 56.29 1sgu s LYS 70 Cb -0.15 -3.72 -0.03 0.00 -0.52 0.00 0.00 37.83 33.41 1sgu s LYS 70 CO 0.11 -0.43 0.23 0.14 -0.92 0.00 0.00 175.35 174.48 1sgu s VAL 71 N 2.20 0.19 -0.01 3.17 -7.23 -0.28 -5.00 120.40 113.45 1sgu s VAL 71 Ca 0.17 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1sgu s VAL 71 Cb -0.16 -2.42 -0.00 0.00 0.56 0.00 0.00 36.38 34.36 1sgu s VAL 71 CO 0.11 0.00 0.03 -0.51 -0.31 0.00 0.00 175.10 174.42 1sgu s ILE 72 N -3.35 0.03 -0.01 -0.62 2.07 -1.26 -0.68 121.20 117.39 1sgu s ILE 72 Ca 0.34 -0.27 -0.19 0.00 -1.41 0.00 0.00 60.65 59.12 1sgu s ILE 72 Cb 0.02 -0.14 0.06 0.00 0.13 0.00 0.00 42.46 42.53 1sgu s ILE 72 CO 0.23 -0.15 0.85 0.61 -1.91 0.00 0.00 174.94 174.57 1sgu n GLY 73 N 2.58 0.38 3.73 1.50 0.00 -0.82 -4.87 105.19 107.69 1sgu n GLY 73 Ca -0.16 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1sgu n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgu s THR 74 N -2.07 4.05 -0.05 2.61 2.01 -1.26 -0.73 115.64 120.21 1sgu s THR 74 Ca 0.20 1.70 0.02 0.00 0.31 0.00 0.00 61.69 63.92 1sgu s THR 74 Cb -0.01 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.43 1sgu s THR 74 CO -0.00 0.26 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.40 1sgu s VAL 75 N 0.03 0.89 0.03 3.82 1.01 0.07 -4.53 120.40 121.72 1sgu s VAL 75 Ca 0.50 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 1sgu s VAL 75 Cb -0.28 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1sgu s VAL 75 CO 0.33 0.29 0.19 -0.76 0.00 0.00 0.00 175.10 175.15 1sgu s LEU 76 N 0.56 4.33 -0.09 3.92 1.43 0.26 -1.13 118.68 127.95 1sgu s LEU 76 Ca -0.10 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1sgu s LEU 76 Cb -0.13 -2.78 0.02 0.00 0.03 0.00 0.00 46.19 43.33 1sgu s LEU 76 CO 0.02 0.21 -0.07 -0.69 0.23 0.00 0.00 176.35 176.05 1sgu s VAL 77 N -1.42 0.88 0.00 -1.59 1.01 -0.52 -1.15 120.40 117.61 1sgu s VAL 77 Ca 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1sgu s VAL 77 Cb -0.13 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1sgu s VAL 77 CO 0.24 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1sgu n GLY 78 N 4.57 -0.98 3.68 4.51 0.00 -0.58 -1.23 105.19 115.17 1sgu n GLY 78 Ca -0.16 -1.02 -0.46 0.00 0.00 0.00 0.00 46.02 44.39 1sgu n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sgu n PRO 79 N -0.06 2.42 -3.64 1.61 -0.02 -1.26 -3.87 135.00 130.18 1sgu n PRO 79 Ca 0.00 0.88 -0.12 0.00 -2.02 0.00 0.00 63.50 62.25 1sgu n PRO 79 Cb 0.00 -2.75 -0.07 0.00 -0.02 0.00 0.00 33.50 30.66 1sgu n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1sgu s THR 80 N 3.30 -0.00 -1.19 3.45 -1.32 -1.26 -4.99 115.64 113.63 1sgu s THR 80 Ca 0.87 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 61.53 1sgu s THR 80 Cb -0.60 -0.97 0.22 0.00 -1.51 0.00 0.00 72.50 69.64 1sgu s THR 80 CO 0.45 0.00 1.55 -0.81 -2.21 0.00 0.00 174.62 173.60 1sgu n PRO 81 N 3.24 0.11 -3.64 7.08 -0.04 -1.26 -4.73 135.00 135.76 1sgu n PRO 81 Ca -0.16 0.16 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1sgu n PRO 81 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 1sgu n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sgu s ALA 82 N -2.81 -1.76 0.23 0.55 0.00 -1.26 -5.14 121.76 111.57 1sgu s ALA 82 Ca 0.12 2.09 -0.30 0.00 0.00 0.00 0.00 51.96 53.88 1sgu s ALA 82 Cb 0.12 -1.22 -0.09 0.00 0.00 0.00 0.00 23.12 21.92 1sgu s ALA 82 CO 0.30 -0.34 1.30 -0.80 0.00 0.00 0.00 175.76 176.21 1sgu s ASN 83 N 0.74 6.89 -0.04 0.00 0.01 -1.26 -4.87 114.94 116.41 1sgu s ASN 83 Ca -0.03 2.45 0.02 0.00 -0.71 0.00 0.00 52.86 54.60 1sgu s ASN 83 Cb -0.05 -2.62 0.01 0.00 0.41 0.00 0.00 41.25 39.00 1sgu s ASN 83 CO -0.05 -0.50 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.25 1sgu s VAL 84 N -0.22 0.84 -0.39 1.60 1.01 0.13 -1.28 120.40 122.08 1sgu s VAL 84 Ca 0.54 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 1sgu s VAL 84 Cb -0.37 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1sgu s VAL 84 CO 0.41 0.28 0.27 -0.63 0.00 0.00 0.00 175.10 175.43 1sgu s ILE 85 N 0.52 5.17 0.71 2.22 1.01 -0.16 -1.08 121.20 129.59 1sgu s ILE 85 Ca -0.09 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 1sgu s ILE 85 Cb -0.12 -3.82 0.15 0.00 0.01 0.00 0.00 42.46 38.67 1sgu s ILE 85 CO 0.01 -0.22 0.97 0.61 0.00 0.00 0.00 174.94 176.31 1sgu n GLY 86 N 5.12 -0.11 0.31 6.18 0.00 -1.05 -1.65 105.19 113.99 1sgu n GLY 86 Ca -0.12 -1.91 0.13 0.00 0.00 0.00 0.00 46.02 44.13 1sgu n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sgu h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.86 -1.90 114.38 116.31 1sgu h ARG 87 Ca -0.32 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 1sgu h ARG 87 Cb 1.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 1sgu h ARG 87 CO 0.29 0.00 -0.02 -2.95 -1.07 0.00 0.00 179.97 176.22 1sgu h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.77 -2.53 115.58 117.25 1sgu h ASN 88 Ca 0.07 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.32 1sgu h ASN 88 Cb 0.32 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.54 1sgu h ASN 88 CO -0.00 0.02 -1.61 0.18 0.07 0.00 0.00 177.43 176.09 1sgu n LEU 89 N -3.54 0.00 0.13 6.14 4.77 -0.78 -4.50 117.00 119.22 1sgu n LEU 89 Ca -0.03 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.98 1sgu n LEU 89 Cb 0.11 0.16 0.38 0.00 -2.33 0.00 0.00 43.42 41.75 1sgu n LEU 89 CO 0.25 0.16 0.85 0.24 -1.33 0.00 0.00 177.39 177.57 1sgu h MET 90 N 0.00 0.19 -0.04 3.23 2.86 -1.25 -1.82 114.93 118.10 1sgu h MET 90 Ca -0.18 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.34 1sgu h MET 90 Cb 1.24 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 1sgu h MET 90 CO 0.01 0.38 -0.29 1.79 1.06 0.00 0.00 176.91 179.86 1sgu h THR 91 N 0.18 1.23 0.00 2.22 1.35 -1.69 -1.21 112.91 114.99 1sgu h THR 91 Ca 0.03 -1.07 -0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1sgu h THR 91 Cb 0.44 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1sgu h THR 91 CO 0.03 0.31 -0.02 1.56 -0.25 0.00 0.00 175.52 177.15 1sgu h GLN 92 N 0.06 0.00 -0.61 4.72 4.20 -1.56 -2.56 115.11 119.36 1sgu h GLN 92 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1sgu h GLN 92 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1sgu h GLN 92 CO 0.04 0.02 0.00 0.44 -0.67 0.00 0.00 178.83 178.66 1sgu n ILE 93 N -3.11 0.96 -2.45 2.54 -5.35 -1.02 -4.96 119.36 105.97 1sgu n ILE 93 Ca 0.02 -0.98 -0.15 0.00 -0.27 0.00 0.00 62.75 61.37 1sgu n ILE 93 Cb 0.40 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 1sgu n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sgu n GLY 94 N 1.35 -0.21 3.72 3.28 0.00 -0.97 -4.99 105.19 107.38 1sgu n GLY 94 Ca 0.21 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1sgu n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgu s THR 96 N 0.82 1.26 -0.02 0.00 -4.23 -1.26 -4.71 115.64 107.49 1sgu s THR 96 Ca 0.56 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 59.02 1sgu s THR 96 Cb -0.28 -1.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 1sgu s THR 96 CO 0.30 -0.66 0.22 -0.76 -0.54 0.00 0.00 174.62 173.18 1sgu s LEU 97 N -3.01 4.37 -0.05 4.79 1.43 -1.26 -5.09 118.68 119.87 1sgu s LEU 97 Ca 0.15 0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 53.68 1sgu s LEU 97 Cb 0.00 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.69 1sgu s LEU 97 CO 0.02 0.28 0.12 0.20 0.23 0.00 0.00 176.35 177.20 1sgu s ASN 98 N -1.68 -0.11 0.00 2.29 0.01 -1.26 -5.28 114.94 108.90 1sgu s ASN 98 Ca 0.25 0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.65 1sgu s ASN 98 Cb -0.13 0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.75 1sgu s ASN 98 CO 0.15 -0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.90