#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 2.71 -0.11 0.54 0.74 -1.26 -5.11 119.66 117.18 1sgu s GLN 2 Ca 0.00 -0.60 -0.00 0.00 0.05 0.00 0.00 55.36 54.81 1sgu s GLN 2 Cb 0.00 -2.59 0.02 0.00 1.10 0.00 0.00 33.01 31.54 1sgu s GLN 2 CO 0.00 0.64 -0.08 0.42 -0.55 0.00 0.00 175.29 175.73 1sgu s ILE 3 N -0.91 1.01 0.82 -2.34 1.01 -1.26 -5.13 121.20 114.40 1sgu s ILE 3 Ca 0.15 -0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.39 1sgu s ILE 3 Cb -0.11 -1.02 0.10 0.00 0.01 0.00 0.00 42.46 41.44 1sgu s ILE 3 CO 0.04 0.36 1.18 0.42 0.00 0.00 0.00 174.94 176.94 1sgu s THR 4 N 1.61 2.05 -0.27 2.92 -4.23 -1.26 -5.01 115.64 111.44 1sgu s THR 4 Ca 0.03 -0.06 0.10 0.00 -1.18 0.00 0.00 61.69 60.58 1sgu s THR 4 Cb -0.13 -2.99 0.51 0.00 1.34 0.00 0.00 72.50 71.23 1sgu s THR 4 CO -0.07 0.00 1.45 0.18 -0.54 0.00 0.00 174.62 175.65 1sgu n LEU 5 N -3.33 4.07 0.24 4.79 4.77 -1.26 -4.53 117.00 121.75 1sgu n LEU 5 Ca 0.10 -3.63 0.12 0.00 -0.03 0.00 0.00 56.01 52.57 1sgu n LEU 5 Cb 0.61 -0.62 0.45 0.00 -2.33 0.00 0.00 43.42 41.53 1sgu n LEU 5 CO 0.54 1.14 0.85 -0.50 -1.33 0.00 0.00 177.39 178.09 1sgu h TRP 6 N 1.11 0.00 -3.16 -1.77 4.06 -2.07 -3.44 115.95 110.68 1sgu h TRP 6 Ca 0.18 0.00 -0.39 0.00 2.06 0.00 0.00 58.89 60.74 1sgu h TRP 6 Cb 1.62 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.64 1sgu h TRP 6 CO 0.92 0.12 -0.70 -0.65 -3.56 0.00 0.00 178.44 174.57 1sgu s GLN 7 N -3.51 1.26 0.27 0.49 -0.21 -1.26 -5.11 119.66 111.59 1sgu s GLN 7 Ca 0.02 -1.58 -0.30 0.00 0.02 0.00 0.00 55.36 53.52 1sgu s GLN 7 Cb 0.08 -0.80 -0.13 0.00 1.00 0.00 0.00 33.01 33.17 1sgu s GLN 7 CO 0.62 0.05 1.45 0.54 -2.12 0.00 0.00 175.29 175.83 1sgu n ARG 8 N -0.35 2.28 -1.49 2.91 1.74 -1.26 -4.84 116.66 115.65 1sgu n ARG 8 Ca -0.08 0.81 -0.42 0.00 -0.77 0.00 0.00 57.85 57.39 1sgu n ARG 8 Cb 0.62 -2.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.53 1sgu n ARG 8 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1sgu n PRO 9 N 1.83 2.25 -2.98 5.56 -0.02 -1.26 -4.96 135.00 135.41 1sgu n PRO 9 Ca 0.09 -2.27 -0.39 0.00 -2.02 0.00 0.00 63.50 58.91 1sgu n PRO 9 Cb 0.34 -3.13 -0.06 0.00 -0.02 0.00 0.00 33.50 30.63 1sgu n PRO 9 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1sgu s LEU 10 N 1.87 4.53 0.04 2.45 1.43 -1.26 -0.64 118.68 127.10 1sgu s LEU 10 Ca 0.52 1.63 0.02 0.00 -1.03 0.00 0.00 54.13 55.27 1sgu s LEU 10 Cb 0.14 -3.40 -0.02 0.00 0.03 0.00 0.00 46.19 42.93 1sgu s LEU 10 CO 0.01 0.16 -0.08 0.68 0.23 0.00 0.00 176.35 177.35 1sgu s VAL 11 N -1.25 0.55 0.08 -1.59 -7.23 -0.43 -4.95 120.40 105.58 1sgu s VAL 11 Ca 0.38 -1.04 -0.17 0.00 -1.81 0.00 0.00 61.98 59.33 1sgu s VAL 11 Cb -0.22 -0.61 -0.07 0.00 0.56 0.00 0.00 36.38 36.05 1sgu s VAL 11 CO 0.25 -0.35 0.54 -0.89 -0.31 0.00 0.00 175.10 174.33 1sgu s THR 12 N -1.32 4.82 0.08 5.32 2.01 -1.26 -1.35 115.64 123.94 1sgu s THR 12 Ca -0.09 1.06 0.00 0.00 0.31 0.00 0.00 61.69 62.97 1sgu s THR 12 Cb -0.10 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 1sgu s THR 12 CO 0.00 0.48 -0.03 0.27 -0.69 0.00 0.00 174.62 174.65 1sgu s ILE 13 N -1.19 0.42 -0.11 1.82 -5.25 0.65 -1.74 121.20 115.80 1sgu s ILE 13 Ca 0.30 -1.88 0.02 0.00 -0.99 0.00 0.00 60.65 58.10 1sgu s ILE 13 Cb -0.18 -1.67 0.01 0.00 2.95 0.00 0.00 42.46 43.58 1sgu s ILE 13 CO 0.18 -0.87 -0.15 -0.75 -1.79 0.00 0.00 174.94 171.56 1sgu s LYS 14 N -3.90 2.22 -0.11 0.37 2.20 -0.59 -1.54 119.74 118.40 1sgu s LYS 14 Ca 0.12 -0.56 -0.05 0.00 -0.36 0.00 0.00 55.97 55.11 1sgu s LYS 14 Cb 0.07 -1.88 0.05 0.00 -1.51 0.00 0.00 37.83 34.56 1sgu s LYS 14 CO -0.06 -0.05 0.24 -1.50 -0.36 0.00 0.00 175.35 173.62 1sgu s ILE 15 N 0.95 -0.19 -1.51 5.43 2.07 -0.02 -0.55 121.20 127.38 1sgu s ILE 15 Ca -0.07 0.21 -0.05 0.00 -1.41 0.00 0.00 60.65 59.33 1sgu s ILE 15 Cb -0.15 -0.39 0.02 0.00 0.13 0.00 0.00 42.46 42.06 1sgu s ILE 15 CO -0.01 0.09 0.51 0.61 -1.91 0.00 0.00 174.94 174.22 1sgu n GLY 16 N 4.71 -0.51 3.11 1.50 0.00 -1.26 -1.03 105.19 111.70 1sgu n GLY 16 Ca -0.17 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.39 0.69 3.77 -0.02 0.00 -1.26 -4.98 105.19 101.99 1sgu n GLY 17 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.29 2.96 -0.15 1.61 -0.21 -0.20 -5.10 119.66 118.28 1sgu s GLN 18 Ca 0.00 -0.58 -0.06 0.00 0.02 0.00 0.00 55.36 54.74 1sgu s GLN 18 Cb 0.00 -2.79 -0.04 0.00 1.00 0.00 0.00 33.01 31.18 1sgu s GLN 18 CO 0.00 0.61 0.07 -0.51 -2.12 0.00 0.00 175.29 173.35 1sgu s LEU 19 N -1.94 3.92 0.19 2.90 1.43 -1.26 -0.84 118.68 123.07 1sgu s LEU 19 Ca 0.25 0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 53.44 1sgu s LEU 19 Cb -0.12 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1sgu s LEU 19 CO 0.16 0.26 0.32 -0.13 0.23 0.00 0.00 176.35 177.20 1sgu s ARG 20 N -0.17 1.26 -0.03 1.70 1.81 -0.59 -5.00 118.95 117.93 1sgu s ARG 20 Ca 0.08 -1.22 0.02 0.00 -1.72 0.00 0.00 55.73 52.89 1sgu s ARG 20 Cb -0.12 0.39 -0.03 0.00 -0.45 0.00 0.00 34.95 34.74 1sgu s ARG 20 CO 0.01 -0.48 -0.06 -2.00 -0.68 0.00 0.00 175.30 172.10 1sgu s GLU 21 N -3.99 2.67 0.10 3.54 2.12 -1.26 -0.25 118.70 121.62 1sgu s GLU 21 Ca 0.20 -0.63 -0.06 0.00 0.36 0.00 0.00 54.97 54.84 1sgu s GLU 21 Cb 0.03 -2.56 -0.01 0.00 0.26 0.00 0.00 34.13 31.84 1sgu s GLU 21 CO 0.03 0.63 0.14 0.00 -0.54 0.00 0.00 175.26 175.53 1sgu s ALA 22 N -0.93 0.06 -0.15 6.30 0.00 -0.46 -4.57 121.76 122.02 1sgu s ALA 22 Ca 0.15 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.13 1sgu s ALA 22 Cb -0.11 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.49 1sgu s ALA 22 CO 0.05 -0.50 0.24 -1.17 0.00 0.00 0.00 175.76 174.39 1sgu s LEU 23 N -2.91 4.27 -0.50 0.00 2.96 -0.13 -1.31 118.68 121.06 1sgu s LEU 23 Ca 0.09 0.47 -0.28 0.00 -0.22 0.00 0.00 54.13 54.19 1sgu s LEU 23 Cb 0.06 -2.28 -0.00 0.00 0.50 0.00 0.00 46.19 44.46 1sgu s LEU 23 CO -0.08 0.17 1.58 -0.76 -1.32 0.00 0.00 176.35 175.94 1sgu s LEU 24 N 0.16 3.43 -0.38 -0.68 1.43 0.19 -0.89 118.68 121.94 1sgu s LEU 24 Ca 0.15 0.58 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1sgu s LEU 24 Cb -0.13 -3.11 0.11 0.00 0.03 0.00 0.00 46.19 43.09 1sgu s LEU 24 CO 0.03 -1.81 0.13 -0.62 0.23 0.00 0.00 176.35 174.31 1sgu s ASP 25 N 5.45 4.93 0.40 2.29 -1.08 -0.62 -4.78 116.67 123.26 1sgu s ASP 25 Ca 0.62 -2.18 0.28 0.00 -0.52 0.00 0.00 52.55 50.75 1sgu s ASP 25 Cb -0.14 -1.71 1.31 0.00 -1.46 0.00 0.00 42.92 40.93 1sgu s ASP 25 CO 0.27 -0.43 1.85 0.71 0.52 0.00 0.00 175.17 178.09 1sgu h THR 26 N 6.42 0.00 -0.01 1.71 1.35 -1.92 -2.30 112.91 118.17 1sgu h THR 26 Ca -0.07 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1sgu h THR 26 Cb 1.02 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1sgu h THR 26 CO 0.60 0.00 -0.16 0.61 -0.25 0.00 0.00 175.52 176.32 1sgu n GLY 27 N -0.43 -0.78 3.60 5.82 0.00 -1.26 -4.81 105.19 107.32 1sgu n GLY 27 Ca 0.00 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.46 3.36 0.17 4.61 0.00 -0.86 -4.98 121.76 121.59 1sgu s ALA 28 Ca 0.28 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1sgu s ALA 28 Cb 0.20 -1.97 0.01 0.00 0.00 0.00 0.00 23.12 21.36 1sgu s ALA 28 CO 0.49 0.02 1.39 -0.44 0.00 0.00 0.00 175.76 177.22 1sgu h ASP 29 N 7.05 0.37 -1.20 0.00 3.32 -1.87 -0.39 116.42 123.70 1sgu h ASP 29 Ca -0.37 -0.28 -0.61 0.00 0.02 0.00 0.00 57.03 55.79 1sgu h ASP 29 Cb 1.17 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 40.50 1sgu h ASP 29 CO 0.67 1.05 -0.51 -1.81 -1.72 0.00 0.00 179.24 176.93 1sgu s ASP 30 N -6.97 4.23 -0.15 6.45 1.01 -1.26 -2.81 116.67 117.16 1sgu s ASP 30 Ca -0.04 -1.32 -0.04 0.00 0.71 0.00 0.00 52.55 51.86 1sgu s ASP 30 Cb 0.10 -0.12 -0.03 0.00 1.01 0.00 0.00 42.92 43.88 1sgu s ASP 30 CO 0.84 -0.66 -0.01 -0.89 0.21 0.00 0.00 175.17 174.66 1sgu s THR 31 N -2.72 4.13 -0.00 -1.27 2.01 -1.26 -2.90 115.64 113.63 1sgu s THR 31 Ca 0.30 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1sgu s THR 31 Cb 0.04 -2.81 0.00 0.00 0.01 0.00 0.00 72.50 69.75 1sgu s THR 31 CO 0.16 0.50 -0.00 -0.51 -0.69 0.00 0.00 174.62 174.09 1sgu s ILE 32 N 0.19 0.03 0.05 1.82 2.07 -0.44 -0.77 121.20 124.15 1sgu s ILE 32 Ca -0.00 -0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.30 1sgu s ILE 32 Cb -0.13 -0.04 -0.03 0.00 0.13 0.00 0.00 42.46 42.39 1sgu s ILE 32 CO 0.02 0.02 -0.19 -0.36 -1.91 0.00 0.00 174.94 172.52 1sgu s PHE 33 N 0.08 1.62 0.05 3.50 0.40 0.11 -0.86 117.98 122.87 1sgu s PHE 33 Ca -0.01 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 55.94 1sgu s PHE 33 Cb -0.01 -0.95 -0.04 0.00 0.51 0.00 0.00 43.02 42.52 1sgu s PHE 33 CO -0.00 0.09 0.21 -2.00 0.70 0.00 0.00 175.22 174.21 1sgu s GLU 34 N -1.26 3.45 -0.36 0.44 2.12 -1.25 -1.91 118.70 119.92 1sgu s GLU 34 Ca 0.05 -0.40 -0.17 0.00 0.36 0.00 0.00 54.97 54.82 1sgu s GLU 34 Cb -0.09 -3.05 0.03 0.00 0.26 0.00 0.00 34.13 31.28 1sgu s GLU 34 CO 0.02 0.62 0.41 -0.85 -0.54 0.00 0.00 175.26 174.92 1sgu n GLU 35 N 0.45 -1.13 -3.91 4.30 0.28 -1.26 -4.98 120.64 114.39 1sgu n GLU 35 Ca -0.06 0.75 -0.10 0.00 -0.16 0.00 0.00 57.16 57.58 1sgu n GLU 35 Cb 0.51 -1.29 -0.10 0.00 1.43 0.00 0.00 31.44 31.99 1sgu n GLU 35 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1sgu s ILE 36 N -1.47 0.10 -0.19 3.84 -4.36 -1.26 -5.16 121.20 112.71 1sgu s ILE 36 Ca 0.16 -0.86 -0.04 0.00 -0.26 0.00 0.00 60.65 59.65 1sgu s ILE 36 Cb -0.02 -0.53 -0.02 0.00 1.25 0.00 0.00 42.46 43.14 1sgu s ILE 36 CO 0.55 -0.47 -0.02 -0.44 0.24 0.00 0.00 174.94 174.80 1sgu s SER 37 N -1.62 4.73 0.11 4.36 0.01 -1.26 -5.05 113.70 114.97 1sgu s SER 37 Ca -0.12 -0.21 0.10 0.00 1.31 0.00 0.00 55.95 57.03 1sgu s SER 37 Cb -0.06 -1.80 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 1sgu s SER 37 CO -0.01 0.08 -0.26 -0.76 0.41 0.00 0.00 173.24 172.71 1sgu s LEU 38 N 0.88 2.32 0.45 2.44 1.43 -1.26 -4.86 118.68 120.08 1sgu s LEU 38 Ca 0.00 -0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 52.39 1sgu s LEU 38 Cb -0.14 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 1sgu s LEU 38 CO 0.02 0.20 0.70 -2.16 0.23 0.00 0.00 176.35 175.34 1sgu s PRO 39 N -1.88 3.27 0.15 1.29 0.04 -1.26 -5.01 135.00 131.59 1sgu s PRO 39 Ca 0.14 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 60.96 1sgu s PRO 39 Cb -0.10 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1sgu s PRO 39 CO 0.05 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1sgu n GLY 40 N -2.12 -2.85 3.80 0.56 0.00 -1.26 -4.98 105.19 98.33 1sgu n GLY 40 Ca 0.00 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.73 2.01 0.23 1.61 0.52 -1.26 -5.08 118.95 116.25 1sgu s ARG 41 Ca 0.00 0.66 -0.19 0.00 -0.52 0.00 0.00 55.73 55.68 1sgu s ARG 41 Cb 0.00 -1.91 0.03 0.00 0.52 0.00 0.00 34.95 33.59 1sgu s ARG 41 CO 0.00 -1.68 0.61 1.67 0.02 0.00 0.00 175.30 175.92 1sgu s TRP 42 N -3.14 -0.13 -0.08 -0.53 1.48 -1.26 -4.75 118.94 110.53 1sgu s TRP 42 Ca 0.61 -0.24 0.05 0.00 -1.06 0.00 0.00 56.10 55.45 1sgu s TRP 42 Cb -0.15 0.51 -0.01 0.00 -1.16 0.00 0.00 33.47 32.67 1sgu s TRP 42 CO 0.54 -1.05 -0.23 0.15 -4.06 0.00 0.00 176.95 172.30 1sgu s LYS 43 N -3.90 2.81 0.66 3.25 1.02 -0.75 -4.87 119.74 117.97 1sgu s LYS 43 Ca 0.11 -0.87 -0.18 0.00 0.02 0.00 0.00 55.97 55.06 1sgu s LYS 43 Cb -0.03 -2.27 -0.00 0.00 -0.52 0.00 0.00 37.83 35.01 1sgu s LYS 43 CO 0.02 0.30 1.28 -2.14 -0.92 0.00 0.00 175.35 173.88 1sgu s PRO 44 N 0.05 2.49 -0.16 -1.68 0.02 -1.26 -0.77 135.00 133.68 1sgu s PRO 44 Ca -0.09 2.00 -0.28 0.00 0.02 0.00 0.00 61.00 62.65 1sgu s PRO 44 Cb -0.15 -1.85 0.08 0.00 0.02 0.00 0.00 34.50 32.60 1sgu s PRO 44 CO 0.06 -1.63 0.76 0.21 -0.33 0.00 0.00 177.00 176.06 1sgu s LYS 45 N -3.46 0.88 -0.17 5.54 2.20 -0.06 -4.82 119.74 119.85 1sgu s LYS 45 Ca 0.81 0.56 0.01 0.00 -0.36 0.00 0.00 55.97 56.99 1sgu s LYS 45 Cb -0.36 0.42 0.01 0.00 -1.51 0.00 0.00 37.83 36.40 1sgu s LYS 45 CO 0.40 -0.20 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.37 1sgu s MET 46 N -0.46 3.07 0.02 4.03 -1.94 -1.26 0.97 119.30 123.74 1sgu s MET 46 Ca -0.05 -0.80 0.03 0.00 -1.71 0.00 0.00 55.69 53.16 1sgu s MET 46 Cb -0.02 -2.60 -0.04 0.00 2.01 0.00 0.00 34.83 34.18 1sgu s MET 46 CO 0.04 -0.13 -0.03 0.96 -0.01 0.00 0.00 175.02 175.86 1sgu s ILE 47 N 1.14 3.94 0.03 2.53 -4.36 -0.73 -4.92 121.20 118.82 1sgu s ILE 47 Ca 0.01 -0.74 0.02 0.00 -0.26 0.00 0.00 60.65 59.68 1sgu s ILE 47 Cb -0.14 -2.77 -0.04 0.00 1.25 0.00 0.00 42.46 40.77 1sgu s ILE 47 CO -0.08 0.33 0.02 -0.83 0.24 0.00 0.00 174.94 174.63 1sgu s GLY 48 N -1.65 1.92 0.00 6.27 0.00 -1.26 -1.55 107.32 111.05 1sgu s GLY 48 Ca 0.20 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1sgu s GLY 48 CO 0.11 -0.89 0.00 0.61 0.00 0.00 0.00 173.10 172.93 1sgu n GLY 49 N 1.09 3.30 3.74 0.20 0.00 -0.49 -5.01 105.19 108.02 1sgu n GLY 49 Ca -0.13 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 1sgu n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sgu s ILE 50 N -2.37 3.24 0.00 -0.61 1.01 -1.26 -2.86 121.20 118.36 1sgu s ILE 50 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.68 1sgu s ILE 50 Cb 0.00 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.81 1sgu s ILE 50 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1sgu n GLY 51 N 2.30 1.35 0.00 6.18 0.00 -1.26 -4.95 105.19 108.81 1sgu n GLY 51 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 0.91 3.56 -0.02 0.00 -1.13 -5.11 105.19 101.39 1sgu n GLY 52 Ca 0.00 -1.95 -0.25 0.00 0.00 0.00 0.00 46.02 43.82 1sgu n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sgu s PHE 53 N -2.32 2.56 -0.00 1.61 -0.12 -1.26 -1.39 117.98 117.06 1sgu s PHE 53 Ca 0.00 -0.25 0.01 0.00 -0.05 0.00 0.00 56.93 56.64 1sgu s PHE 53 Cb 0.00 -1.20 -0.00 0.00 -0.63 0.00 0.00 43.02 41.18 1sgu s PHE 53 CO 0.00 0.57 -0.04 0.14 -0.05 0.00 0.00 175.22 175.83 1sgu s VAL 54 N -1.97 0.33 -0.16 -2.49 -7.23 -0.60 -4.98 120.40 103.31 1sgu s VAL 54 Ca 0.27 -0.24 -0.22 0.00 -1.81 0.00 0.00 61.98 59.98 1sgu s VAL 54 Cb -0.08 -0.29 -0.03 0.00 0.56 0.00 0.00 36.38 36.54 1sgu s VAL 54 CO 0.16 0.05 0.66 -0.75 -0.31 0.00 0.00 175.10 174.91 1sgu s LYS 55 N -0.20 4.29 0.29 4.82 2.20 -1.26 -1.77 119.74 128.10 1sgu s LYS 55 Ca 0.01 0.72 0.02 0.00 -0.36 0.00 0.00 55.97 56.36 1sgu s LYS 55 Cb -0.02 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 1sgu s LYS 55 CO -0.00 -0.15 0.10 0.14 -0.36 0.00 0.00 175.35 175.08 1sgu s VAL 56 N 1.57 0.70 -0.14 4.02 -7.23 0.27 -4.53 120.40 115.06 1sgu s VAL 56 Ca 0.32 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.42 1sgu s VAL 56 Cb -0.16 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 1sgu s VAL 56 CO 0.12 0.00 0.11 -0.13 -0.31 0.00 0.00 175.10 174.89 1sgu s ARG 57 N -3.95 3.60 -0.25 4.82 0.52 0.03 -0.88 118.95 122.84 1sgu s ARG 57 Ca 0.36 -0.22 -0.06 0.00 -0.52 0.00 0.00 55.73 55.29 1sgu s ARG 57 Cb 0.07 -3.19 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 1sgu s ARG 57 CO 0.15 0.60 0.04 -1.14 0.02 0.00 0.00 175.30 174.97 1sgu s GLN 58 N -0.54 3.49 -0.19 3.54 0.74 0.05 -1.37 119.66 125.39 1sgu s GLN 58 Ca 0.12 -0.58 -0.04 0.00 0.05 0.00 0.00 55.36 54.91 1sgu s GLN 58 Cb -0.12 -3.26 -0.02 0.00 1.10 0.00 0.00 33.01 30.72 1sgu s GLN 58 CO 0.02 -0.23 -0.02 0.71 -0.55 0.00 0.00 175.29 175.21 1sgu s TYR 59 N 1.56 3.01 0.31 1.67 1.51 -0.36 -1.81 117.35 123.24 1sgu s TYR 59 Ca 0.06 -0.50 0.03 0.00 -1.01 0.00 0.00 57.07 55.65 1sgu s TYR 59 Cb -0.15 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 1sgu s TYR 59 CO 0.02 -0.23 0.46 -0.51 -1.11 0.00 0.00 175.55 174.18 1sgu s ASP 60 N 0.87 6.23 -1.46 2.29 1.01 -1.26 -0.69 116.67 123.66 1sgu s ASP 60 Ca -0.00 0.19 -0.04 0.00 0.71 0.00 0.00 52.55 53.41 1sgu s ASP 60 Cb -0.14 -1.82 0.04 0.00 1.01 0.00 0.00 42.92 42.00 1sgu s ASP 60 CO 0.02 -0.24 0.55 0.00 0.21 0.00 0.00 175.17 175.71 1sgu n GLN 61 N -1.62 -3.61 -3.37 8.23 6.02 -1.20 -4.90 117.38 116.92 1sgu n GLN 61 Ca -0.06 0.43 -0.38 0.00 -0.01 0.00 0.00 57.00 56.98 1sgu n GLN 61 Cb 0.57 -4.77 -0.08 0.00 1.02 0.00 0.00 30.24 26.98 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 -3.76 5.18 0.24 5.09 -1.09 0.55 -4.75 121.20 122.66 1sgu s ILE 62 Ca 0.19 0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 59.02 1sgu s ILE 62 Cb -0.10 -3.74 -0.09 0.00 -1.58 0.00 0.00 42.46 36.95 1sgu s ILE 62 CO 0.88 0.22 1.25 -2.84 -1.23 0.00 0.00 174.94 173.22 1sgu s PRO 63 N 1.51 4.45 -0.11 2.79 0.02 -1.26 -1.56 135.00 140.83 1sgu s PRO 63 Ca 0.19 2.00 -0.08 0.00 0.02 0.00 0.00 61.00 63.13 1sgu s PRO 63 Cb -0.15 -3.18 0.04 0.00 0.02 0.00 0.00 34.50 31.23 1sgu s PRO 63 CO 0.08 -0.12 0.28 -1.50 -0.33 0.00 0.00 177.00 175.41 1sgu s ILE 64 N -0.40 -0.02 -0.32 2.83 2.07 0.56 -4.23 121.20 121.68 1sgu s ILE 64 Ca 0.52 0.07 -0.11 0.00 -1.41 0.00 0.00 60.65 59.72 1sgu s ILE 64 Cb -0.35 -0.41 -0.01 0.00 0.13 0.00 0.00 42.46 41.81 1sgu s ILE 64 CO 0.41 0.03 0.20 -1.61 -1.91 0.00 0.00 174.94 172.06 1sgu s GLU 65 N 0.76 3.42 -0.30 3.50 2.02 0.29 -1.40 118.70 126.99 1sgu s GLU 65 Ca -0.05 -0.68 -0.06 0.00 0.02 0.00 0.00 54.97 54.20 1sgu s GLU 65 Cb -0.06 -3.68 0.02 0.00 0.10 0.00 0.00 34.13 30.50 1sgu s GLU 65 CO -0.05 -0.43 0.06 0.42 0.02 0.00 0.00 175.26 175.29 1sgu s ILE 66 N 1.67 3.75 -1.68 -1.63 1.01 0.58 -1.53 121.20 123.37 1sgu s ILE 66 Ca 0.05 -0.85 -0.13 0.00 0.00 0.00 0.00 60.65 59.72 1sgu s ILE 66 Cb -0.17 -2.98 0.12 0.00 0.01 0.00 0.00 42.46 39.44 1sgu s ILE 66 CO 0.08 0.03 0.53 0.00 0.00 0.00 0.00 174.94 175.58 1sgu n GLY 68 N -1.63 3.33 3.67 0.00 0.00 -1.26 -5.04 105.19 104.27 1sgu n GLY 68 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 3.42 -0.28 1.61 4.02 0.85 -5.03 115.29 117.33 1sgu s HIS 69 Ca 0.00 1.00 -0.20 0.00 1.02 0.00 0.00 55.06 56.88 1sgu s HIS 69 Cb 0.00 -2.80 -0.02 0.00 -1.02 0.00 0.00 32.58 28.74 1sgu s HIS 69 CO 0.00 -0.12 0.60 0.15 1.02 0.00 0.00 174.74 176.39 1sgu s LYS 70 N 1.67 3.98 0.29 1.40 1.02 -1.26 -0.31 119.74 126.54 1sgu s LYS 70 Ca 0.31 0.34 0.04 0.00 0.02 0.00 0.00 55.97 56.68 1sgu s LYS 70 Cb -0.16 -3.69 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 1sgu s LYS 70 CO 0.12 -0.48 0.20 0.14 -0.92 0.00 0.00 175.35 174.40 1sgu s VAL 71 N 2.50 0.13 -0.01 3.17 -7.23 -0.49 -5.00 120.40 113.46 1sgu s VAL 71 Ca 0.24 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1sgu s VAL 71 Cb -0.15 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.29 1sgu s VAL 71 CO 0.10 0.00 -0.02 -0.51 -0.31 0.00 0.00 175.10 174.36 1sgu s ILE 72 N -3.68 0.22 0.06 -0.62 2.07 -1.26 -0.32 121.20 117.66 1sgu s ILE 72 Ca 0.38 -0.07 -0.09 0.00 -1.41 0.00 0.00 60.65 59.46 1sgu s ILE 72 Cb 0.04 -0.22 0.03 0.00 0.13 0.00 0.00 42.46 42.45 1sgu s ILE 72 CO 0.20 0.08 0.43 0.61 -1.91 0.00 0.00 174.94 174.35 1sgu n GLY 73 N 3.29 0.92 3.72 1.50 0.00 -0.60 -4.86 105.19 109.16 1sgu n GLY 73 Ca -0.16 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.32 4.49 -0.03 2.61 2.01 -1.26 -0.33 115.64 120.81 1sgu s THR 74 Ca 0.10 1.98 0.02 0.00 0.31 0.00 0.00 61.69 64.10 1sgu s THR 74 Cb -0.01 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.24 1sgu s THR 74 CO 0.02 0.26 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.43 1sgu s VAL 75 N 0.27 0.81 -0.04 3.82 1.01 0.14 -4.51 120.40 121.90 1sgu s VAL 75 Ca 0.49 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 1sgu s VAL 75 Cb -0.24 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1sgu s VAL 75 CO 0.30 0.26 0.13 -0.76 0.00 0.00 0.00 175.10 175.03 1sgu s LEU 76 N 0.29 4.19 -0.11 3.92 1.43 0.05 -1.22 118.68 127.23 1sgu s LEU 76 Ca -0.05 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1sgu s LEU 76 Cb -0.10 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.81 1sgu s LEU 76 CO 0.01 0.31 -0.13 -0.69 0.23 0.00 0.00 176.35 176.08 1sgu s VAL 77 N -1.18 1.39 0.00 -1.59 1.01 -0.47 -0.72 120.40 118.84 1sgu s VAL 77 Ca 0.22 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1sgu s VAL 77 Cb -0.12 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.96 1sgu s VAL 77 CO 0.13 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1sgu n GLY 78 N 4.43 -0.59 3.69 4.51 0.00 -0.80 -0.79 105.19 115.64 1sgu n GLY 78 Ca -0.18 -0.98 -0.44 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.09 2.51 -3.64 1.61 -0.02 -1.26 -3.97 135.00 130.15 1sgu n PRO 79 Ca 0.00 0.91 -0.10 0.00 -2.02 0.00 0.00 63.50 62.29 1sgu n PRO 79 Cb 0.00 -2.73 -0.07 0.00 -0.02 0.00 0.00 33.50 30.68 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 1.43 0.00 -1.09 3.45 -1.32 -1.26 -4.99 115.64 111.86 1sgu s THR 80 Ca 0.78 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 61.45 1sgu s THR 80 Cb -0.58 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 69.61 1sgu s THR 80 CO 0.36 0.00 1.61 -0.81 -2.21 0.00 0.00 174.62 173.57 1sgu n PRO 81 N 2.84 0.06 -3.69 7.08 -0.04 -1.26 -4.72 135.00 135.27 1sgu n PRO 81 Ca -0.15 0.16 -0.12 0.00 -0.04 0.00 0.00 63.50 63.35 1sgu n PRO 81 Cb 0.56 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.91 -1.31 0.17 0.55 0.00 -1.26 -5.14 121.76 111.87 1sgu s ALA 82 Ca 0.11 1.58 -0.30 0.00 0.00 0.00 0.00 51.96 53.35 1sgu s ALA 82 Cb 0.13 -0.93 -0.08 0.00 0.00 0.00 0.00 23.12 22.24 1sgu s ALA 82 CO 0.34 -0.26 1.18 -0.80 0.00 0.00 0.00 175.76 176.21 1sgu s ASN 83 N 0.60 7.11 -0.04 0.00 0.01 -1.26 -4.86 114.94 116.51 1sgu s ASN 83 Ca -0.03 2.19 0.03 0.00 -0.71 0.00 0.00 52.86 54.35 1sgu s ASN 83 Cb -0.05 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.01 1sgu s ASN 83 CO -0.04 -0.36 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.37 1sgu s VAL 84 N 0.01 1.14 -0.33 1.60 1.01 -0.04 -0.95 120.40 122.84 1sgu s VAL 84 Ca 0.53 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 1sgu s VAL 84 Cb -0.32 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1sgu s VAL 84 CO 0.36 0.34 0.22 -0.63 0.00 0.00 0.00 175.10 175.39 1sgu s ILE 85 N 0.12 5.13 0.45 2.22 -1.09 -0.07 -1.33 121.20 126.64 1sgu s ILE 85 Ca -0.04 -0.25 -0.03 0.00 -2.23 0.00 0.00 60.65 58.11 1sgu s ILE 85 Cb -0.10 -3.63 0.09 0.00 -1.58 0.00 0.00 42.46 37.24 1sgu s ILE 85 CO 0.01 0.02 0.62 0.61 -1.23 0.00 0.00 174.94 174.97 1sgu n GLY 86 N 5.08 0.16 0.24 6.18 0.00 -1.14 -1.59 105.19 114.12 1sgu n GLY 86 Ca -0.13 -1.92 0.08 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.22 1.61 3.08 -1.13 -1.35 114.38 116.37 1sgu h ARG 87 Ca -0.20 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.91 1sgu h ARG 87 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1sgu h ARG 87 CO 0.19 0.12 0.16 -2.95 -1.07 0.00 0.00 179.97 176.42 1sgu h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.79 -2.34 115.58 117.43 1sgu h ASN 88 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 56.21 1sgu h ASN 88 Cb 0.22 -0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.44 1sgu h ASN 88 CO 0.02 0.00 -1.85 0.18 0.07 0.00 0.00 177.43 175.85 1sgu n LEU 89 N -4.47 0.00 0.22 6.14 4.32 -0.99 -4.48 117.00 117.73 1sgu n LEU 89 Ca 0.02 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.08 1sgu n LEU 89 Cb 0.30 0.21 0.50 0.00 -1.62 0.00 0.00 43.42 42.81 1sgu n LEU 89 CO 0.35 0.21 0.82 0.24 -1.22 0.00 0.00 177.39 177.79 1sgu h MET 90 N 0.00 0.00 0.00 3.23 2.86 -1.00 -1.99 114.93 118.02 1sgu h MET 90 Ca -0.23 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.32 1sgu h MET 90 Cb 1.40 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.05 1sgu h MET 90 CO 0.01 0.26 -0.41 1.79 1.06 0.00 0.00 176.91 179.62 1sgu h THR 91 N 0.00 1.01 0.00 2.22 1.35 -1.65 -1.09 112.91 114.74 1sgu h THR 91 Ca -0.00 -1.58 -0.10 0.00 -0.55 0.00 0.00 66.41 64.17 1sgu h THR 91 Cb 0.57 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 1sgu h THR 91 CO 0.03 0.40 -0.50 1.56 -0.25 0.00 0.00 175.52 176.77 1sgu h GLN 92 N 0.00 0.00 -0.64 4.72 1.08 -1.59 -2.55 115.11 116.14 1sgu h GLN 92 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1sgu h GLN 92 Cb 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1sgu h GLN 92 CO 0.05 0.50 0.00 0.44 -0.95 0.00 0.00 178.83 178.87 1sgu n ILE 93 N -3.67 0.85 -2.33 2.54 -0.00 -1.16 -4.95 119.36 110.63 1sgu n ILE 93 Ca -0.01 -0.89 -0.11 0.00 -0.00 0.00 0.00 62.75 61.74 1sgu n ILE 93 Cb 0.56 0.56 0.00 0.00 -0.00 0.00 0.00 39.64 40.77 1sgu n ILE 93 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1sgu n GLY 94 N 1.59 -0.05 3.72 3.28 0.00 -0.96 -5.00 105.19 107.77 1sgu n GLY 94 Ca 0.23 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 0.43 1.16 -0.11 0.00 -4.23 -1.26 -4.72 115.64 106.90 1sgu s THR 96 Ca 0.54 -1.83 -0.06 0.00 -1.18 0.00 0.00 61.69 59.15 1sgu s THR 96 Cb -0.29 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 1sgu s THR 96 CO 0.32 -0.59 0.12 -0.22 -0.54 0.00 0.00 174.62 173.70 1sgu s LEU 97 N -2.74 4.24 -0.02 4.79 2.96 -1.26 -5.09 118.68 121.57 1sgu s LEU 97 Ca 0.11 0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 54.42 1sgu s LEU 97 Cb -0.01 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.66 1sgu s LEU 97 CO 0.01 0.40 0.04 0.20 -1.32 0.00 0.00 176.35 175.69 1sgu s ASN 98 N -1.00 -0.04 0.00 3.68 0.01 -1.26 -5.29 114.94 111.05 1sgu s ASN 98 Ca 0.15 0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.38 1sgu s ASN 98 Cb -0.12 0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.62 1sgu s ASN 98 CO 0.04 -0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.83