#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ekw s GLN 2 N 0.00 3.81 -0.21 0.54 0.74 -1.26 -5.09 119.66 118.19 3ekw s GLN 2 Ca 0.00 -0.43 -0.00 0.00 0.05 0.00 0.00 55.36 54.97 3ekw s GLN 2 Cb 0.00 -3.12 0.02 0.00 1.10 0.00 0.00 33.01 31.01 3ekw s GLN 2 CO 0.00 0.19 -0.13 0.42 -0.55 0.00 0.00 175.29 175.22 3ekw s ILE 3 N 0.55 2.53 0.86 -2.34 1.01 -1.26 -5.12 121.20 117.44 3ekw s ILE 3 Ca 0.01 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.62 3ekw s ILE 3 Cb -0.13 -2.16 0.12 0.00 0.01 0.00 0.00 42.46 40.30 3ekw s ILE 3 CO 0.02 0.41 1.22 0.42 0.00 0.00 0.00 174.94 177.00 3ekw s THR 4 N 1.33 2.02 -0.13 2.92 -4.23 -1.26 -5.03 115.64 111.25 3ekw s THR 4 Ca 0.03 -0.02 0.18 0.00 -1.18 0.00 0.00 61.69 60.70 3ekw s THR 4 Cb -0.14 -2.99 0.29 0.00 1.34 0.00 0.00 72.50 70.99 3ekw s THR 4 CO -0.09 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.32 3ekw n LEU 5 N -3.46 2.30 0.00 4.79 4.77 -1.26 -4.66 117.00 119.48 3ekw n LEU 5 Ca 0.11 -3.06 0.03 0.00 -0.03 0.00 0.00 56.01 53.06 3ekw n LEU 5 Cb 0.60 -0.42 0.40 0.00 -2.33 0.00 0.00 43.42 41.67 3ekw n LEU 5 CO 0.52 0.72 1.12 -0.50 -1.33 0.00 0.00 177.39 177.92 3ekw h TRP 6 N 0.03 0.52 -2.64 -1.77 4.06 -2.06 -3.43 115.95 110.65 3ekw h TRP 6 Ca -0.00 -0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.45 3ekw h TRP 6 Cb 1.01 -0.17 -0.14 0.00 -1.00 0.00 0.00 29.16 28.86 3ekw h TRP 6 CO 0.03 0.36 -0.61 -1.59 -3.56 0.00 0.00 178.44 173.08 3ekw s LYS 7 N -5.39 1.71 0.18 0.49 -2.85 -1.26 -5.10 119.74 107.51 3ekw s LYS 7 Ca -0.08 -1.95 -0.33 0.00 -1.00 0.00 0.00 55.97 52.61 3ekw s LYS 7 Cb 0.17 -1.00 -0.13 0.00 -2.06 0.00 0.00 37.83 34.81 3ekw s LYS 7 CO 0.74 -0.17 1.60 0.54 0.10 0.00 0.00 175.35 178.16 3ekw n ARG 8 N -0.74 2.29 -1.99 1.78 1.74 -1.26 -4.84 116.66 113.65 3ekw n ARG 8 Ca -0.03 0.83 -0.39 0.00 -0.77 0.00 0.00 57.85 57.49 3ekw n ARG 8 Cb 0.67 -2.61 -0.03 0.00 -1.02 0.00 0.00 32.46 29.47 3ekw n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ekw n PRO 9 N 3.44 2.37 -3.67 5.56 -0.04 -1.26 -4.92 135.00 136.48 3ekw n PRO 9 Ca 0.16 -2.65 -0.36 0.00 -0.04 0.00 0.00 63.50 60.62 3ekw n PRO 9 Cb 0.30 -3.41 -0.07 0.00 -0.04 0.00 0.00 33.50 30.28 3ekw n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ekw s ILE 10 N 6.04 5.37 0.21 0.52 1.01 -1.26 -1.07 121.20 132.03 3ekw s ILE 10 Ca 0.57 0.33 0.04 0.00 0.00 0.00 0.00 60.65 61.59 3ekw s ILE 10 Cb 0.07 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 3ekw s ILE 10 CO 0.07 0.44 -0.02 0.68 0.00 0.00 0.00 174.94 176.10 3ekw s VAL 11 N 0.28 1.07 0.14 2.92 -7.23 0.59 -4.91 120.40 113.26 3ekw s VAL 11 Ca 0.12 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 57.95 3ekw s VAL 11 Cb -0.12 -2.25 -0.07 0.00 0.56 0.00 0.00 36.38 34.51 3ekw s VAL 11 CO 0.01 -0.41 1.05 -0.89 -0.31 0.00 0.00 175.10 174.55 3ekw s THR 12 N -3.39 4.15 0.16 5.32 2.01 -1.26 -0.67 115.64 121.95 3ekw s THR 12 Ca 0.26 1.79 0.08 0.00 0.31 0.00 0.00 61.69 64.13 3ekw s THR 12 Cb 0.05 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 3ekw s THR 12 CO 0.07 0.28 -0.18 0.27 -0.69 0.00 0.00 174.62 174.36 3ekw s ILE 13 N -0.01 1.81 -0.08 1.82 -4.36 -0.04 -2.38 121.20 117.96 3ekw s ILE 13 Ca 0.49 -1.88 0.02 0.00 -0.26 0.00 0.00 60.65 59.02 3ekw s ILE 13 Cb -0.27 -1.81 0.02 0.00 1.25 0.00 0.00 42.46 41.64 3ekw s ILE 13 CO 0.32 -0.29 -0.12 -0.13 0.24 0.00 0.00 174.94 174.96 3ekw s ARG 14 N -2.71 1.76 -0.07 0.37 3.00 -0.53 -1.02 118.95 119.75 3ekw s ARG 14 Ca 0.15 -0.41 -0.03 0.00 0.00 0.00 0.00 55.73 55.44 3ekw s ARG 14 Cb -0.06 -1.52 0.04 0.00 0.00 0.00 0.00 34.95 33.41 3ekw s ARG 14 CO 0.06 -0.04 0.14 -1.50 0.00 0.00 0.00 175.30 173.97 3ekw s ILE 15 N 0.90 -0.16 -1.23 1.52 -1.16 -0.62 -1.00 121.20 119.45 3ekw s ILE 15 Ca -0.10 0.28 -0.05 0.00 -0.51 0.00 0.00 60.65 60.27 3ekw s ILE 15 Cb -0.15 -0.26 0.03 0.00 0.61 0.00 0.00 42.46 42.70 3ekw s ILE 15 CO 0.01 0.12 0.30 0.61 -2.81 0.00 0.00 174.94 173.17 3ekw n GLY 16 N 4.79 -0.50 2.99 1.50 0.00 -1.26 -0.19 105.19 112.53 3ekw n GLY 16 Ca -0.15 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3ekw n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ekw n GLY 17 N -1.07 0.92 3.68 -0.02 0.00 -1.26 -5.03 105.19 102.42 3ekw n GLY 17 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 3ekw n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ekw s GLN 18 N -0.05 4.30 -0.26 1.61 -1.52 0.74 -5.05 119.66 119.42 3ekw s GLN 18 Ca 0.00 0.72 -0.15 0.00 -1.95 0.00 0.00 55.36 53.98 3ekw s GLN 18 Cb 0.00 -3.53 -0.04 0.00 -0.22 0.00 0.00 33.01 29.22 3ekw s GLN 18 CO 0.00 -0.13 0.36 -0.48 -0.25 0.00 0.00 175.29 174.79 3ekw s LEU 19 N 1.50 4.05 0.31 2.90 0.05 -1.26 -1.60 118.68 124.64 3ekw s LEU 19 Ca 0.32 0.29 0.04 0.00 0.05 0.00 0.00 54.13 54.83 3ekw s LEU 19 Cb -0.16 -2.41 -0.03 0.00 -2.05 0.00 0.00 46.19 41.53 3ekw s LEU 19 CO 0.13 -0.16 0.19 -0.54 -0.55 0.00 0.00 176.35 175.42 3ekw s LYS 20 N 1.94 1.62 0.10 1.48 1.02 -0.18 -5.01 119.74 120.71 3ekw s LYS 20 Ca 0.15 -1.93 0.09 0.00 0.02 0.00 0.00 55.97 54.30 3ekw s LYS 20 Cb -0.16 0.04 -0.04 0.00 -0.52 0.00 0.00 37.83 37.16 3ekw s LYS 20 CO 0.10 -0.51 -0.21 -1.21 -0.92 0.00 0.00 175.35 172.60 3ekw s GLU 21 N -3.73 1.77 0.02 1.68 2.02 -1.26 -0.86 118.70 118.33 3ekw s GLU 21 Ca 0.37 -1.17 -0.13 0.00 0.02 0.00 0.00 54.97 54.06 3ekw s GLU 21 Cb 0.04 -2.07 0.02 0.00 0.10 0.00 0.00 34.13 32.22 3ekw s GLU 21 CO 0.20 0.49 0.27 0.00 0.02 0.00 0.00 175.26 176.24 3ekw s ALA 22 N -1.05 -0.63 -0.17 5.21 0.00 0.15 -4.37 121.76 120.90 3ekw s ALA 22 Ca 0.16 0.06 -0.20 0.00 0.00 0.00 0.00 51.96 51.99 3ekw s ALA 22 Cb -0.10 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3ekw s ALA 22 CO 0.07 -0.32 0.56 -1.17 0.00 0.00 0.00 175.76 174.90 3ekw s LEU 23 N -1.72 4.18 -0.40 0.00 0.20 0.13 -0.30 118.68 120.78 3ekw s LEU 23 Ca -0.09 0.79 -0.27 0.00 0.69 0.00 0.00 54.13 55.25 3ekw s LEU 23 Cb -0.03 -2.79 0.02 0.00 -0.43 0.00 0.00 46.19 42.96 3ekw s LEU 23 CO 0.00 -0.17 1.03 -0.76 -0.29 0.00 0.00 176.35 176.16 3ekw s LEU 24 N 1.46 3.87 -0.31 -0.68 1.43 -0.23 -0.60 118.68 123.62 3ekw s LEU 24 Ca 0.27 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 3ekw s LEU 24 Cb -0.16 -3.41 0.09 0.00 0.03 0.00 0.00 46.19 42.75 3ekw s LEU 24 CO 0.11 -1.01 0.05 -0.62 0.23 0.00 0.00 176.35 175.11 3ekw s ASP 25 N 2.06 4.31 0.35 2.29 2.15 -0.37 -4.79 116.67 122.67 3ekw s ASP 25 Ca 0.43 -1.78 0.27 0.00 0.43 0.00 0.00 52.55 51.90 3ekw s ASP 25 Cb -0.10 -1.24 1.11 0.00 -0.30 0.00 0.00 42.92 42.39 3ekw s ASP 25 CO 0.23 -0.37 1.80 0.71 -0.17 0.00 0.00 175.17 177.37 3ekw h THR 26 N 6.57 0.00 -0.34 1.71 1.35 -1.94 -2.33 112.91 117.93 3ekw h THR 26 Ca -0.10 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3ekw h THR 26 Cb 1.03 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3ekw h THR 26 CO 0.48 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 3ekw n GLY 27 N 0.01 0.62 3.30 5.82 0.00 -1.26 -4.83 105.19 108.84 3ekw n GLY 27 Ca 0.02 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 3ekw n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ekw s ALA 28 N -1.55 2.70 0.20 4.61 0.00 -0.88 -4.99 121.76 121.86 3ekw s ALA 28 Ca 0.24 -1.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.03 3ekw s ALA 28 Cb 0.13 -1.51 0.15 0.00 0.00 0.00 0.00 23.12 21.88 3ekw s ALA 28 CO 0.17 -0.25 1.66 -0.44 0.00 0.00 0.00 175.76 176.90 3ekw h ASP 29 N 7.74 0.94 -2.09 0.00 5.19 -1.88 0.11 116.42 126.42 3ekw h ASP 29 Ca -0.38 -0.28 -0.60 0.00 -0.62 0.00 0.00 57.03 55.15 3ekw h ASP 29 Cb 1.17 -0.25 -0.13 0.00 0.18 0.00 0.00 39.33 40.30 3ekw h ASP 29 CO 0.60 1.03 -0.71 -1.81 -3.12 0.00 0.00 179.24 175.23 3ekw s ASP 30 N -6.63 3.81 -0.19 6.45 1.01 -1.26 -2.94 116.67 116.91 3ekw s ASP 30 Ca -0.11 -1.03 -0.13 0.00 0.71 0.00 0.00 52.55 51.99 3ekw s ASP 30 Cb 0.14 -0.40 -0.05 0.00 1.01 0.00 0.00 42.92 43.62 3ekw s ASP 30 CO 0.84 -0.07 0.26 -0.89 0.21 0.00 0.00 175.17 175.52 3ekw s THR 31 N -2.52 5.32 -0.12 -1.27 2.01 -1.26 -3.41 115.64 114.39 3ekw s THR 31 Ca 0.32 0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.76 3ekw s THR 31 Cb -0.02 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 68.92 3ekw s THR 31 CO 0.17 0.37 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.72 3ekw s VAL 32 N 0.68 0.91 0.05 3.82 1.01 -0.15 -0.47 120.40 126.26 3ekw s VAL 32 Ca 0.14 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.89 3ekw s VAL 32 Cb -0.13 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3ekw s VAL 32 CO 0.03 0.30 -0.07 -0.76 0.00 0.00 0.00 175.10 174.61 3ekw s LEU 33 N 1.75 3.18 0.84 3.92 1.43 0.92 -0.36 118.68 130.36 3ekw s LEU 33 Ca 0.04 -0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 3ekw s LEU 33 Cb -0.13 -1.89 0.08 0.00 0.03 0.00 0.00 46.19 44.28 3ekw s LEU 33 CO -0.08 0.23 1.02 -0.62 0.23 0.00 0.00 176.35 177.14 3ekw n GLU 34 N 1.15 0.02 -1.64 1.70 1.02 -1.26 -1.93 120.64 119.69 3ekw n GLU 34 Ca -0.14 0.08 -0.64 0.00 -0.02 0.00 0.00 57.16 56.44 3ekw n GLU 34 Cb 0.52 -2.29 -0.09 0.00 -0.02 0.00 0.00 31.44 29.57 3ekw n GLU 34 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3ekw n GLU 35 N -2.97 0.06 -3.56 3.49 -0.00 -1.26 -4.70 120.64 111.70 3ekw n GLU 35 Ca 0.12 0.02 -0.15 0.00 -0.00 0.00 0.00 57.16 57.15 3ekw n GLU 35 Cb 0.51 -1.53 -0.05 0.00 -0.00 0.00 0.00 31.44 30.37 3ekw n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ekw s MET 36 N 1.68 1.03 -0.24 3.44 0.23 -1.26 -5.07 119.30 119.11 3ekw s MET 36 Ca 0.98 -0.13 -0.26 0.00 -1.03 0.00 0.00 55.69 55.26 3ekw s MET 36 Cb -1.38 0.47 -0.00 0.00 -1.53 0.00 0.00 34.83 32.40 3ekw s MET 36 CO 0.70 -0.36 0.89 1.21 -2.03 0.00 0.00 175.02 175.43 3ekw s ASN 37 N -1.79 6.91 0.15 -1.18 3.04 -1.26 -5.03 114.94 115.77 3ekw s ASN 37 Ca -0.07 1.12 0.08 0.00 0.04 0.00 0.00 52.86 54.04 3ekw s ASN 37 Cb -0.01 -2.47 -0.04 0.00 -1.54 0.00 0.00 41.25 37.19 3ekw s ASN 37 CO 0.01 -0.57 -0.09 -0.76 -3.04 0.00 0.00 177.10 172.64 3ekw s LEU 38 N 2.96 3.00 0.52 3.21 1.43 -1.26 -5.12 118.68 123.43 3ekw s LEU 38 Ca 0.38 -0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 52.81 3ekw s LEU 38 Cb -0.15 -1.73 -0.08 0.00 0.03 0.00 0.00 46.19 44.26 3ekw s LEU 38 CO 0.07 0.13 0.99 -2.16 0.23 0.00 0.00 176.35 175.62 3ekw s PRO 39 N -2.58 3.89 0.37 1.29 0.04 -1.26 -4.94 135.00 131.81 3ekw s PRO 39 Ca 0.23 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.26 3ekw s PRO 39 Cb -0.10 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3ekw s PRO 39 CO 0.15 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.28 3ekw n GLY 40 N -1.50 -2.24 3.84 0.56 0.00 -1.26 -4.95 105.19 99.64 3ekw n GLY 40 Ca 0.07 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 3ekw n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ekw s LYS 41 N -0.24 4.02 0.08 1.61 0.00 -1.26 -5.08 119.74 118.86 3ekw s LYS 41 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 55.97 56.79 3ekw s LYS 41 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 37.83 35.49 3ekw s LYS 41 CO 0.00 -0.01 -0.05 1.67 0.00 0.00 0.00 175.35 176.96 3ekw s TRP 42 N -2.23 0.72 0.05 1.78 1.48 -1.26 -4.54 118.94 114.94 3ekw s TRP 42 Ca 0.57 -0.98 0.01 0.00 -1.06 0.00 0.00 56.10 54.64 3ekw s TRP 42 Cb -0.10 -0.46 -0.03 0.00 -1.16 0.00 0.00 33.47 31.73 3ekw s TRP 42 CO 0.21 -0.25 -0.06 -1.59 -4.06 0.00 0.00 176.95 171.20 3ekw s LYS 43 N -3.83 0.54 0.51 3.25 -2.85 -1.00 -4.92 119.74 111.45 3ekw s LYS 43 Ca 0.09 -0.88 -0.22 0.00 -1.00 0.00 0.00 55.97 53.96 3ekw s LYS 43 Cb 0.06 -0.13 -0.06 0.00 -2.06 0.00 0.00 37.83 35.65 3ekw s LYS 43 CO -0.07 -0.00 1.24 -2.14 0.10 0.00 0.00 175.35 174.47 3ekw s PRO 44 N -2.24 3.42 0.03 1.78 0.02 -1.26 -0.57 135.00 136.17 3ekw s PRO 44 Ca -0.05 1.94 0.01 0.00 0.02 0.00 0.00 61.00 62.92 3ekw s PRO 44 Cb -0.05 -2.28 -0.02 0.00 0.02 0.00 0.00 34.50 32.17 3ekw s PRO 44 CO -0.02 -0.88 -0.05 0.21 -0.33 0.00 0.00 177.00 175.93 3ekw s LYS 45 N -2.88 0.39 -0.21 5.54 2.20 -0.36 -4.83 119.74 119.59 3ekw s LYS 45 Ca 0.69 -0.61 -0.07 0.00 -0.36 0.00 0.00 55.97 55.62 3ekw s LYS 45 Cb -0.33 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 35.85 3ekw s LYS 45 CO 0.39 0.01 0.07 -1.64 -0.36 0.00 0.00 175.35 173.81 3ekw s MET 46 N -1.33 3.83 0.17 4.03 -1.94 -1.26 -0.98 119.30 121.82 3ekw s MET 46 Ca -0.11 -0.41 0.09 0.00 -1.71 0.00 0.00 55.69 53.55 3ekw s MET 46 Cb -0.09 -3.26 -0.04 0.00 2.01 0.00 0.00 34.83 33.45 3ekw s MET 46 CO -0.00 0.08 -0.18 0.96 -0.01 0.00 0.00 175.02 175.86 3ekw s ILE 47 N 0.91 1.84 -0.13 2.53 -4.36 -0.71 -4.96 121.20 116.32 3ekw s ILE 47 Ca 0.04 -1.95 -0.01 0.00 -0.26 0.00 0.00 60.65 58.47 3ekw s ILE 47 Cb -0.14 -1.87 -0.02 0.00 1.25 0.00 0.00 42.46 41.68 3ekw s ILE 47 CO 0.03 -0.33 -0.09 0.54 0.24 0.00 0.00 174.94 175.33 3ekw s VAL 48 N -2.11 3.46 0.00 8.37 0.11 -1.26 -0.94 120.40 128.03 3ekw s VAL 48 Ca 0.16 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 3ekw s VAL 48 Cb -0.05 -2.47 0.00 0.00 -1.53 0.00 0.00 36.38 32.32 3ekw s VAL 48 CO 0.07 0.52 0.00 0.61 -3.33 0.00 0.00 175.10 172.97 3ekw n GLY 49 N 3.32 3.97 0.38 6.54 0.00 -0.24 -4.96 105.19 114.20 3ekw n GLY 49 Ca -0.18 -2.20 0.15 0.00 0.00 0.00 0.00 46.02 43.79 3ekw n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ekw h ILE 50 N 0.84 0.75 -0.18 -0.61 6.09 -2.02 -1.04 117.51 121.34 3ekw h ILE 50 Ca 0.00 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 3ekw h ILE 50 Cb 0.00 0.08 0.00 0.00 0.47 0.00 0.00 36.82 37.37 3ekw h ILE 50 CO 0.00 0.11 0.00 0.61 -3.07 0.00 0.00 178.15 175.80 3ekw n GLY 51 N -1.44 0.52 0.00 8.18 0.00 -1.26 -5.05 105.19 106.14 3ekw n GLY 51 Ca 0.20 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3ekw n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ekw n GLY 52 N 1.21 -0.00 3.78 -0.02 0.00 -0.39 -5.06 105.19 104.70 3ekw n GLY 52 Ca 0.17 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 3ekw n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ekw s PHE 53 N 0.00 3.78 0.08 1.61 0.40 -1.26 -1.08 117.98 121.50 3ekw s PHE 53 Ca 0.00 1.70 0.04 0.00 -0.60 0.00 0.00 56.93 58.07 3ekw s PHE 53 Cb 0.00 -2.85 -0.03 0.00 0.51 0.00 0.00 43.02 40.65 3ekw s PHE 53 CO 0.00 0.33 -0.10 0.14 0.70 0.00 0.00 175.22 176.29 3ekw s VAL 54 N -1.44 0.87 -0.06 -0.44 -7.23 -0.12 -4.98 120.40 107.00 3ekw s VAL 54 Ca 0.45 -1.44 -0.17 0.00 -1.81 0.00 0.00 61.98 59.01 3ekw s VAL 54 Cb -0.20 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.57 3ekw s VAL 54 CO 0.25 -0.45 0.45 -0.75 -0.31 0.00 0.00 175.10 174.30 3ekw s LYS 55 N -2.29 4.19 0.27 4.82 2.20 -1.26 -1.73 119.74 125.93 3ekw s LYS 55 Ca 0.00 0.45 0.02 0.00 -0.36 0.00 0.00 55.97 56.08 3ekw s LYS 55 Cb -0.06 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 3ekw s LYS 55 CO 0.00 0.38 0.10 0.14 -0.36 0.00 0.00 175.35 175.62 3ekw s VAL 56 N -0.11 0.55 -0.15 4.02 -7.23 -0.16 -4.65 120.40 112.68 3ekw s VAL 56 Ca 0.25 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 3ekw s VAL 56 Cb -0.16 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 3ekw s VAL 56 CO 0.12 0.00 0.10 -0.13 -0.31 0.00 0.00 175.10 174.88 3ekw s ARG 57 N -4.00 3.69 -0.26 4.82 0.52 -0.14 -1.23 118.95 122.35 3ekw s ARG 57 Ca 0.37 -0.24 -0.08 0.00 -0.52 0.00 0.00 55.73 55.26 3ekw s ARG 57 Cb 0.07 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.32 3ekw s ARG 57 CO 0.14 0.53 0.09 -1.14 0.02 0.00 0.00 175.30 174.94 3ekw s GLN 58 N -0.34 3.56 -0.07 3.54 0.74 0.26 -0.37 119.66 126.98 3ekw s GLN 58 Ca 0.10 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 54.97 3ekw s GLN 58 Cb -0.12 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 3ekw s GLN 58 CO 0.01 -0.25 -0.07 0.71 -0.55 0.00 0.00 175.29 175.15 3ekw s TYR 59 N 1.61 2.95 0.16 1.67 1.51 -0.22 -2.37 117.35 122.66 3ekw s TYR 59 Ca 0.06 0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.18 3ekw s TYR 59 Cb -0.16 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 3ekw s TYR 59 CO 0.04 0.32 0.10 -0.51 -1.11 0.00 0.00 175.55 174.39 3ekw s ASP 60 N -0.75 5.36 -1.35 2.29 1.01 -1.26 -0.54 116.67 121.43 3ekw s ASP 60 Ca 0.11 -0.18 -0.04 0.00 0.71 0.00 0.00 52.55 53.15 3ekw s ASP 60 Cb -0.11 -1.35 0.02 0.00 1.01 0.00 0.00 42.92 42.49 3ekw s ASP 60 CO 0.02 0.08 0.88 0.00 0.21 0.00 0.00 175.17 176.36 3ekw n GLN 61 N -0.24 -5.76 -3.49 8.23 1.13 -1.00 -4.90 117.38 111.35 3ekw n GLN 61 Ca -0.09 0.68 -0.38 0.00 -1.94 0.00 0.00 57.00 55.27 3ekw n GLN 61 Cb 0.55 -5.47 -0.10 0.00 0.11 0.00 0.00 30.24 25.33 3ekw n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ekw s ILE 62 N -3.49 5.25 0.29 5.09 -1.09 -0.08 -4.75 121.20 122.42 3ekw s ILE 62 Ca 0.23 0.39 -0.29 0.00 -2.23 0.00 0.00 60.65 58.74 3ekw s ILE 62 Cb -0.11 -3.62 -0.09 0.00 -1.58 0.00 0.00 42.46 37.06 3ekw s ILE 62 CO 0.79 0.22 1.07 -2.16 -1.23 0.00 0.00 174.94 173.63 3ekw s PRO 63 N 1.80 4.61 -0.02 2.79 0.05 -1.26 -1.85 135.00 141.12 3ekw s PRO 63 Ca 0.11 1.72 -0.01 0.00 0.05 0.00 0.00 61.00 62.87 3ekw s PRO 63 Cb -0.16 -3.12 0.02 0.00 0.05 0.00 0.00 34.50 31.29 3ekw s PRO 63 CO 0.10 0.22 0.05 0.42 0.05 0.00 0.00 177.00 177.83 3ekw s ILE 64 N -1.23 -0.03 -0.23 0.56 1.09 0.08 -4.50 121.20 116.95 3ekw s ILE 64 Ca 0.46 0.10 -0.10 0.00 -1.10 0.00 0.00 60.65 60.00 3ekw s ILE 64 Cb -0.30 -0.09 -0.05 0.00 -1.06 0.00 0.00 42.46 40.96 3ekw s ILE 64 CO 0.38 0.04 0.15 -0.70 -0.10 0.00 0.00 174.94 174.71 3ekw s GLU 65 N 0.52 4.10 -0.25 2.79 2.12 -0.17 -0.19 118.70 127.62 3ekw s GLU 65 Ca -0.04 -0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.05 3ekw s GLU 65 Cb -0.06 -3.50 0.06 0.00 0.26 0.00 0.00 34.13 30.88 3ekw s GLU 65 CO -0.02 0.12 -0.09 0.42 -0.54 0.00 0.00 175.26 175.15 3ekw s ILE 66 N 0.88 1.93 -1.48 -3.70 1.01 0.68 -1.45 121.20 119.06 3ekw s ILE 66 Ca 0.08 -1.44 -0.12 0.00 0.00 0.00 0.00 60.65 59.16 3ekw s ILE 66 Cb -0.13 -2.08 0.08 0.00 0.01 0.00 0.00 42.46 40.35 3ekw s ILE 66 CO 0.03 -0.02 0.78 0.00 0.00 0.00 0.00 174.94 175.72 3ekw n GLY 68 N -1.48 0.71 3.70 0.00 0.00 -1.26 -5.04 105.19 101.81 3ekw n GLY 68 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3ekw n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ekw s HIS 69 N -2.79 3.23 -0.04 1.61 4.02 0.22 -5.09 115.29 116.45 3ekw s HIS 69 Ca 0.00 0.21 -0.27 0.00 1.02 0.00 0.00 55.06 56.02 3ekw s HIS 69 Cb 0.00 -1.85 -0.03 0.00 -1.02 0.00 0.00 32.58 29.68 3ekw s HIS 69 CO 0.00 0.45 0.85 -1.59 1.02 0.00 0.00 174.74 175.47 3ekw s LYS 70 N -0.72 4.49 0.16 1.40 0.00 -1.26 -0.23 119.74 123.58 3ekw s LYS 70 Ca 0.12 1.17 0.06 0.00 0.00 0.00 0.00 55.97 57.31 3ekw s LYS 70 Cb -0.12 -3.46 -0.04 0.00 0.00 0.00 0.00 37.83 34.21 3ekw s LYS 70 CO 0.02 -0.01 -0.12 0.00 0.00 0.00 0.00 175.35 175.24 3ekw s ALA 71 N 0.97 1.60 -0.20 0.59 0.00 0.73 -4.77 121.76 120.69 3ekw s ALA 71 Ca 0.45 -1.51 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 3ekw s ALA 71 Cb -0.19 -0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.00 3ekw s ALA 71 CO 0.23 -0.03 0.45 -1.50 0.00 0.00 0.00 175.76 174.91 3ekw s ILE 72 N -3.06 -0.38 0.00 0.00 2.07 -1.26 -0.74 121.20 117.83 3ekw s ILE 72 Ca 0.17 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 3ekw s ILE 72 Cb 0.01 -0.68 0.00 0.00 0.13 0.00 0.00 42.46 41.91 3ekw s ILE 72 CO 0.03 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 3ekw n GLY 73 N 4.88 1.01 3.72 1.50 0.00 -0.77 -4.85 105.19 110.69 3ekw n GLY 73 Ca -0.15 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 3ekw n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ekw s THR 74 N -1.96 4.61 -0.06 2.61 2.01 -1.26 -0.90 115.64 120.69 3ekw s THR 74 Ca 0.00 2.03 0.03 0.00 0.31 0.00 0.00 61.69 64.05 3ekw s THR 74 Cb 0.00 -4.30 0.01 0.00 0.01 0.00 0.00 72.50 68.22 3ekw s THR 74 CO 0.00 0.24 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.35 3ekw s VAL 75 N 0.45 1.23 -0.06 3.82 1.01 0.30 -4.49 120.40 122.66 3ekw s VAL 75 Ca 0.50 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3ekw s VAL 75 Cb -0.23 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3ekw s VAL 75 CO 0.29 0.37 0.15 -0.76 0.00 0.00 0.00 175.10 175.15 3ekw s LEU 76 N 0.56 4.30 -0.09 3.92 1.43 0.38 -1.05 118.68 128.13 3ekw s LEU 76 Ca -0.14 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 3ekw s LEU 76 Cb -0.15 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.75 3ekw s LEU 76 CO 0.04 0.33 -0.16 -0.69 0.23 0.00 0.00 176.35 176.10 3ekw s VAL 77 N -1.17 1.49 -0.10 -1.59 1.01 0.50 -0.05 120.40 120.48 3ekw s VAL 77 Ca 0.21 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3ekw s VAL 77 Cb -0.12 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.93 3ekw s VAL 77 CO 0.11 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3ekw n GLY 78 N 3.83 -1.24 3.55 4.51 0.00 -0.81 -0.97 105.19 114.06 3ekw n GLY 78 Ca -0.21 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 3ekw n GLY 78 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ekw s PRO 79 N -0.16 2.44 0.01 1.61 0.02 -1.26 -4.04 135.00 133.61 3ekw s PRO 79 Ca 0.00 0.83 0.01 0.00 0.02 0.00 0.00 61.00 61.86 3ekw s PRO 79 Cb 0.00 -4.47 -0.01 0.00 0.02 0.00 0.00 34.50 30.04 3ekw s PRO 79 CO 0.00 -2.95 -0.04 -0.08 -0.33 0.00 0.00 177.00 173.60 3ekw s THR 80 N 10.18 0.30 -2.00 0.99 -1.32 -1.26 -5.02 115.64 117.51 3ekw s THR 80 Ca 0.77 -0.35 0.22 0.00 -1.21 0.00 0.00 61.69 61.12 3ekw s THR 80 Cb -0.14 -0.29 0.62 0.00 -1.51 0.00 0.00 72.50 71.18 3ekw s THR 80 CO 0.22 -0.04 1.71 -0.81 -2.21 0.00 0.00 174.62 173.48 3ekw n PRO 81 N 2.66 0.74 -3.52 7.08 -0.04 -1.26 -4.78 135.00 135.88 3ekw n PRO 81 Ca -0.15 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.18 3ekw n PRO 81 Cb 0.58 -1.46 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 3ekw n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ekw s ALA 82 N -2.00 -1.80 0.18 0.55 0.00 -1.26 -5.13 121.76 112.30 3ekw s ALA 82 Ca 0.33 1.22 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 3ekw s ALA 82 Cb 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 23.12 23.19 3ekw s ALA 82 CO 0.25 -0.47 1.29 -0.80 0.00 0.00 0.00 175.76 176.03 3ekw s ASN 83 N -1.64 6.94 -0.12 0.00 0.01 -1.26 -4.57 114.94 114.29 3ekw s ASN 83 Ca -0.03 2.33 0.00 0.00 -0.71 0.00 0.00 52.86 54.45 3ekw s ASN 83 Cb -0.00 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.07 3ekw s ASN 83 CO 0.00 -0.51 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.34 3ekw s ILE 84 N 0.27 1.28 -0.31 0.60 1.01 0.52 -0.69 121.20 123.89 3ekw s ILE 84 Ca 0.57 -0.47 -0.16 0.00 0.00 0.00 0.00 60.65 60.58 3ekw s ILE 84 Cb -0.35 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 3ekw s ILE 84 CO 0.36 0.41 0.44 -0.63 0.00 0.00 0.00 174.94 175.52 3ekw s ILE 85 N 1.42 5.10 0.43 2.92 -1.09 0.23 -0.97 121.20 129.24 3ekw s ILE 85 Ca 0.01 0.45 0.07 0.00 -2.23 0.00 0.00 60.65 58.95 3ekw s ILE 85 Cb -0.13 -3.83 0.07 0.00 -1.58 0.00 0.00 42.46 36.99 3ekw s ILE 85 CO -0.07 -0.02 0.60 0.61 -1.23 0.00 0.00 174.94 174.82 3ekw n GLY 86 N 4.72 1.89 0.25 6.18 0.00 -1.22 -1.24 105.19 115.78 3ekw n GLY 86 Ca -0.07 -2.19 0.09 0.00 0.00 0.00 0.00 46.02 43.85 3ekw n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ekw h ARG 87 N 0.00 0.00 -0.67 1.61 3.08 -0.84 -1.32 114.38 116.24 3ekw h ARG 87 Ca -0.20 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.95 3ekw h ARG 87 Cb 0.92 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.92 3ekw h ARG 87 CO 0.28 0.12 0.44 -2.95 -1.07 0.00 0.00 179.97 176.80 3ekw h ASN 88 N 0.00 0.44 0.00 7.04 -1.07 -1.79 -1.99 115.58 118.21 3ekw h ASN 88 Ca -0.00 0.01 -0.35 0.00 0.07 0.00 0.00 56.30 56.03 3ekw h ASN 88 Cb 0.25 -0.08 -0.07 0.00 -2.07 0.00 0.00 38.32 36.35 3ekw h ASN 88 CO 0.02 0.26 -2.31 0.18 0.07 0.00 0.00 177.43 175.65 3ekw n LEU 89 N -4.48 0.04 -0.26 6.14 4.77 -0.80 -4.25 117.00 118.16 3ekw n LEU 89 Ca 0.11 -0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.11 3ekw n LEU 89 Cb 0.38 0.45 0.24 0.00 -2.33 0.00 0.00 43.42 42.16 3ekw n LEU 89 CO 0.33 0.48 1.25 -0.07 -1.33 0.00 0.00 177.39 178.05 3ekw h LEU 90 N 0.00 0.89 -1.06 2.23 3.38 -1.13 -1.21 115.31 118.42 3ekw h LEU 90 Ca -0.52 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.39 3ekw h LEU 90 Cb 2.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.69 3ekw h LEU 90 CO 0.03 0.62 0.10 0.71 0.09 0.00 0.00 178.44 179.99 3ekw h THR 91 N 1.04 1.22 0.00 0.22 1.35 -1.57 -1.99 112.91 113.19 3ekw h THR 91 Ca 0.32 -0.82 -0.04 0.00 -0.55 0.00 0.00 66.41 65.32 3ekw h THR 91 Cb 0.00 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.15 3ekw h THR 91 CO -0.09 0.30 -0.18 1.56 -0.25 0.00 0.00 175.52 176.85 3ekw h GLN 92 N 0.74 0.00 -0.67 4.72 4.20 -1.41 -2.27 115.11 120.42 3ekw h GLN 92 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3ekw h GLN 92 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3ekw h GLN 92 CO 0.00 0.18 0.00 0.44 -0.67 0.00 0.00 178.83 178.79 3ekw n ILE 93 N -4.25 0.89 -2.10 2.54 -5.35 -1.06 -4.97 119.36 105.07 3ekw n ILE 93 Ca -0.02 -0.92 -0.06 0.00 -0.27 0.00 0.00 62.75 61.47 3ekw n ILE 93 Cb 0.25 0.53 -0.00 0.00 -1.74 0.00 0.00 39.64 38.68 3ekw n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ekw n GLY 94 N 1.61 0.12 3.72 3.28 0.00 -0.86 -5.00 105.19 108.07 3ekw n GLY 94 Ca 0.23 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 3ekw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ekw s THR 96 N 0.50 1.34 -0.04 0.00 -4.23 -1.26 -4.73 115.64 107.22 3ekw s THR 96 Ca 0.52 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.87 3ekw s THR 96 Cb -0.26 -1.81 -0.05 0.00 1.34 0.00 0.00 72.50 71.72 3ekw s THR 96 CO 0.30 -0.62 0.43 -0.76 -0.54 0.00 0.00 174.62 173.43 3ekw s LEU 97 N -3.01 4.40 -0.05 4.79 1.43 -1.26 -5.10 118.68 119.88 3ekw s LEU 97 Ca 0.16 0.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 3ekw s LEU 97 Cb -0.00 -2.62 0.02 0.00 0.03 0.00 0.00 46.19 43.62 3ekw s LEU 97 CO 0.03 0.20 -0.04 0.20 0.23 0.00 0.00 176.35 176.97 3ekw s ASN 98 N -0.43 1.19 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.56 3ekw s ASN 98 Ca 0.24 -0.14 0.00 0.00 -1.57 0.00 0.00 52.86 51.39 3ekw s ASN 98 Cb -0.16 -0.50 0.00 0.00 -0.02 0.00 0.00 41.25 40.57 3ekw s ASN 98 CO 0.12 -0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.79