#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ekx s GLN 2 N 0.00 3.29 -0.18 0.54 0.74 -1.26 -5.10 119.66 117.69 3ekx s GLN 2 Ca 0.00 -0.54 0.01 0.00 0.05 0.00 0.00 55.36 54.88 3ekx s GLN 2 Cb 0.00 -2.77 0.02 0.00 1.10 0.00 0.00 33.01 31.36 3ekx s GLN 2 CO 0.00 0.41 -0.18 0.42 -0.55 0.00 0.00 175.29 175.39 3ekx s ILE 3 N -0.12 1.96 0.84 -2.34 1.01 -1.26 -5.13 121.20 116.17 3ekx s ILE 3 Ca 0.02 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 3ekx s ILE 3 Cb -0.13 -1.80 0.10 0.00 0.01 0.00 0.00 42.46 40.63 3ekx s ILE 3 CO 0.03 0.49 1.18 0.42 0.00 0.00 0.00 174.94 177.06 3ekx s THR 4 N 1.32 2.00 -0.14 2.92 -4.23 -1.26 -5.01 115.64 111.24 3ekx s THR 4 Ca 0.04 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.74 3ekx s THR 4 Cb -0.13 -2.95 0.33 0.00 1.34 0.00 0.00 72.50 71.08 3ekx s THR 4 CO -0.12 0.00 1.19 0.18 -0.54 0.00 0.00 174.62 175.33 3ekx n LEU 5 N -3.43 2.60 -0.29 4.79 4.77 -1.26 -4.53 117.00 119.65 3ekx n LEU 5 Ca 0.08 -3.09 0.05 0.00 -0.03 0.00 0.00 56.01 53.02 3ekx n LEU 5 Cb 0.61 -0.45 0.26 0.00 -2.33 0.00 0.00 43.42 41.51 3ekx n LEU 5 CO 0.56 0.71 1.24 -0.50 -1.33 0.00 0.00 177.39 178.08 3ekx h TRP 6 N 0.30 1.01 -1.79 -1.77 4.06 -2.06 -3.44 115.95 112.25 3ekx h TRP 6 Ca 0.00 0.03 -0.62 0.00 2.06 0.00 0.00 58.89 60.36 3ekx h TRP 6 Cb 1.07 -0.33 -0.13 0.00 -1.00 0.00 0.00 29.16 28.77 3ekx h TRP 6 CO 0.09 0.51 -0.62 0.15 -3.56 0.00 0.00 178.44 175.01 3ekx s LYS 7 N -5.87 1.91 0.14 0.49 1.02 -1.26 -5.09 119.74 111.07 3ekx s LYS 7 Ca -0.11 -2.06 -0.33 0.00 0.02 0.00 0.00 55.97 53.48 3ekx s LYS 7 Cb 0.20 -1.60 -0.13 0.00 -0.52 0.00 0.00 37.83 35.78 3ekx s LYS 7 CO 0.80 -0.02 1.66 0.54 -0.92 0.00 0.00 175.35 177.41 3ekx n ARG 8 N -0.91 2.33 -2.29 1.68 1.74 -1.26 -4.84 116.66 113.10 3ekx n ARG 8 Ca -0.05 0.84 -0.36 0.00 -0.77 0.00 0.00 57.85 57.51 3ekx n ARG 8 Cb 0.66 -2.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.43 3ekx n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ekx n PRO 9 N 4.04 2.41 -3.54 5.56 -0.04 -1.26 -4.93 135.00 137.23 3ekx n PRO 9 Ca 0.17 -2.86 -0.37 0.00 -0.04 0.00 0.00 63.50 60.40 3ekx n PRO 9 Cb 0.31 -3.59 -0.06 0.00 -0.04 0.00 0.00 33.50 30.11 3ekx n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ekx s LEU 10 N 7.34 4.37 0.16 1.53 1.43 -1.26 -1.41 118.68 130.83 3ekx s LEU 10 Ca 0.61 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 54.46 3ekx s LEU 10 Cb 0.02 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 3ekx s LEU 10 CO 0.10 0.23 -0.01 0.68 0.23 0.00 0.00 176.35 177.59 3ekx s VAL 11 N -0.39 0.64 0.03 -1.59 -7.23 0.05 -4.93 120.40 106.98 3ekx s VAL 11 Ca 0.21 -1.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.16 3ekx s VAL 11 Cb -0.15 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 3ekx s VAL 11 CO 0.09 -0.54 0.76 -0.89 -0.31 0.00 0.00 175.10 174.21 3ekx s THR 12 N -3.68 4.76 0.25 5.32 2.01 -1.26 -0.96 115.64 122.07 3ekx s THR 12 Ca 0.22 1.61 0.11 0.00 0.31 0.00 0.00 61.69 63.95 3ekx s THR 12 Cb 0.06 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 3ekx s THR 12 CO 0.02 0.35 -0.18 0.27 -0.69 0.00 0.00 174.62 174.40 3ekx s ILE 13 N 0.02 2.63 -0.11 1.82 -4.36 0.14 -1.25 121.20 120.08 3ekx s ILE 13 Ca 0.38 -2.19 0.02 0.00 -0.26 0.00 0.00 60.65 58.60 3ekx s ILE 13 Cb -0.20 -2.35 0.01 0.00 1.25 0.00 0.00 42.46 41.17 3ekx s ILE 13 CO 0.23 -0.30 -0.16 -0.60 0.24 0.00 0.00 174.94 174.34 3ekx s ARG 14 N -3.26 2.35 -0.02 0.37 3.52 0.57 -0.39 118.95 122.10 3ekx s ARG 14 Ca 0.27 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 3ekx s ARG 14 Cb -0.06 -1.98 0.03 0.00 -1.56 0.00 0.00 34.95 31.38 3ekx s ARG 14 CO 0.14 -0.05 0.01 -1.50 -0.81 0.00 0.00 175.30 173.10 3ekx s ILE 15 N 0.95 0.06 -1.60 4.11 2.07 0.60 -0.92 121.20 126.47 3ekx s ILE 15 Ca -0.07 0.14 -0.02 0.00 -1.41 0.00 0.00 60.65 59.29 3ekx s ILE 15 Cb -0.15 -0.17 0.00 0.00 0.13 0.00 0.00 42.46 42.27 3ekx s ILE 15 CO -0.01 0.11 0.27 0.61 -1.91 0.00 0.00 174.94 174.01 3ekx n GLY 16 N 4.10 -0.45 3.58 1.50 0.00 -1.26 -0.94 105.19 111.71 3ekx n GLY 16 Ca -0.27 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3ekx n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ekx n GLY 17 N -1.24 0.13 3.84 -0.02 0.00 -1.26 -4.98 105.19 101.66 3ekx n GLY 17 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3ekx n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ekx s GLN 18 N -1.08 3.96 -0.10 1.61 0.74 -0.12 -5.05 119.66 119.63 3ekx s GLN 18 Ca 0.00 0.46 -0.11 0.00 0.05 0.00 0.00 55.36 55.75 3ekx s GLN 18 Cb 0.00 -3.05 -0.05 0.00 1.10 0.00 0.00 33.01 31.01 3ekx s GLN 18 CO 0.00 0.56 0.26 -0.51 -0.55 0.00 0.00 175.29 175.06 3ekx s LEU 19 N -1.64 4.37 0.06 3.68 1.43 -1.26 -0.29 118.68 125.03 3ekx s LEU 19 Ca 0.33 0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 54.05 3ekx s LEU 19 Cb -0.16 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 3ekx s LEU 19 CO 0.18 0.29 -0.03 -0.54 0.23 0.00 0.00 176.35 176.48 3ekx s LYS 20 N -0.59 0.66 -0.15 1.70 1.02 0.48 -4.97 119.74 117.88 3ekx s LYS 20 Ca 0.18 -1.25 -0.11 0.00 0.02 0.00 0.00 55.97 54.81 3ekx s LYS 20 Cb -0.14 0.16 -0.05 0.00 -0.52 0.00 0.00 37.83 37.29 3ekx s LYS 20 CO 0.07 -0.11 0.20 -2.00 -0.92 0.00 0.00 175.35 172.59 3ekx s GLU 21 N -3.92 4.00 0.02 1.68 2.56 -1.26 0.28 118.70 122.06 3ekx s GLU 21 Ca 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 54.97 54.94 3ekx s GLU 21 Cb 0.08 -3.35 -0.01 0.00 2.00 0.00 0.00 34.13 32.85 3ekx s GLU 21 CO -0.09 0.43 0.08 0.00 -0.56 0.00 0.00 175.26 175.13 3ekx s ALA 22 N -0.07 -0.11 -0.21 6.30 0.00 -0.14 -4.38 121.76 123.15 3ekx s ALA 22 Ca 0.13 -0.42 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 3ekx s ALA 22 Cb -0.12 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 3ekx s ALA 22 CO 0.02 -0.25 0.36 -1.17 0.00 0.00 0.00 175.76 174.73 3ekx s LEU 23 N -1.74 4.14 -0.38 0.00 2.96 0.70 -0.77 118.68 123.60 3ekx s LEU 23 Ca -0.11 0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 53.96 3ekx s LEU 23 Cb -0.05 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.21 3ekx s LEU 23 CO -0.02 -0.06 1.21 -0.76 -1.32 0.00 0.00 176.35 175.40 3ekx s LEU 24 N 1.30 3.77 -0.40 -0.68 1.43 -0.50 -0.51 118.68 123.09 3ekx s LEU 24 Ca 0.17 0.87 0.02 0.00 -1.03 0.00 0.00 54.13 54.16 3ekx s LEU 24 Cb -0.15 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.65 3ekx s LEU 24 CO 0.07 -1.14 0.17 -0.62 0.23 0.00 0.00 176.35 175.06 3ekx s ASP 25 N 2.57 4.08 0.53 2.29 3.68 -0.34 -4.76 116.67 124.72 3ekx s ASP 25 Ca 0.52 -2.37 0.35 0.00 2.13 0.00 0.00 52.55 53.18 3ekx s ASP 25 Cb -0.12 -1.22 1.64 0.00 -1.45 0.00 0.00 42.92 41.77 3ekx s ASP 25 CO 0.25 -0.32 2.04 0.71 0.13 0.00 0.00 175.17 177.99 3ekx h THR 26 N 5.86 0.00 -0.03 1.71 1.35 -1.93 -2.64 112.91 117.22 3ekx h THR 26 Ca -0.06 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3ekx h THR 26 Cb 0.96 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3ekx h THR 26 CO 0.52 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 3ekx n GLY 27 N -0.46 -0.19 3.59 5.82 0.00 -1.26 -4.82 105.19 107.87 3ekx n GLY 27 Ca -0.01 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 3ekx n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ekx s ALA 28 N -1.98 3.28 0.22 4.61 0.00 -1.00 -4.99 121.76 121.91 3ekx s ALA 28 Ca 0.39 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.64 3ekx s ALA 28 Cb 0.21 -1.82 0.17 0.00 0.00 0.00 0.00 23.12 21.68 3ekx s ALA 28 CO 0.33 0.17 1.50 -0.44 0.00 0.00 0.00 175.76 177.32 3ekx h ASP 29 N 6.74 0.14 -1.97 0.00 3.32 -1.87 0.47 116.42 123.24 3ekx h ASP 29 Ca -0.35 -0.09 -0.60 0.00 0.02 0.00 0.00 57.03 56.00 3ekx h ASP 29 Cb 1.17 -0.04 -0.12 0.00 0.22 0.00 0.00 39.33 40.56 3ekx h ASP 29 CO 0.68 0.81 -0.66 -1.81 -1.72 0.00 0.00 179.24 176.53 3ekx s ASP 30 N -6.87 3.91 -0.22 6.45 1.01 -1.26 -2.98 116.67 116.71 3ekx s ASP 30 Ca -0.02 -1.09 -0.12 0.00 0.71 0.00 0.00 52.55 52.03 3ekx s ASP 30 Cb 0.12 -0.43 -0.05 0.00 1.01 0.00 0.00 42.92 43.57 3ekx s ASP 30 CO 0.79 -0.19 0.22 -0.89 0.21 0.00 0.00 175.17 175.32 3ekx s THR 31 N -2.56 5.33 -0.17 -1.27 2.01 -1.26 -3.20 115.64 114.52 3ekx s THR 31 Ca 0.33 0.32 -0.00 0.00 0.31 0.00 0.00 61.69 62.65 3ekx s THR 31 Cb 0.01 -3.56 0.04 0.00 0.01 0.00 0.00 72.50 69.00 3ekx s THR 31 CO 0.17 0.34 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.69 3ekx s VAL 32 N 0.97 1.19 0.09 3.82 1.01 -0.08 -1.16 120.40 126.25 3ekx s VAL 32 Ca 0.11 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3ekx s VAL 32 Cb -0.13 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3ekx s VAL 32 CO 0.04 0.16 0.09 -0.76 0.00 0.00 0.00 175.10 174.62 3ekx s LEU 33 N 1.60 3.80 0.67 3.92 1.43 0.14 -0.33 118.68 129.91 3ekx s LEU 33 Ca 0.01 -0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 52.91 3ekx s LEU 33 Cb -0.15 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 3ekx s LEU 33 CO -0.08 0.16 1.06 -0.62 0.23 0.00 0.00 176.35 177.10 3ekx n GLU 34 N 0.37 0.77 -1.66 1.70 1.02 -1.26 -1.78 120.64 119.80 3ekx n GLU 34 Ca -0.09 0.32 -0.64 0.00 -0.02 0.00 0.00 57.16 56.73 3ekx n GLU 34 Cb 0.52 -2.29 -0.09 0.00 -0.02 0.00 0.00 31.44 29.56 3ekx n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3ekx n GLU 35 N -1.66 0.11 -3.69 3.49 4.07 -0.99 -4.58 120.64 117.39 3ekx n GLU 35 Ca 0.14 0.04 -0.14 0.00 -0.06 0.00 0.00 57.16 57.14 3ekx n GLU 35 Cb 0.48 -1.55 -0.08 0.00 -0.06 0.00 0.00 31.44 30.23 3ekx n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ekx s MET 36 N 1.97 0.70 -1.23 5.31 0.23 -1.26 -5.02 119.30 120.00 3ekx s MET 36 Ca 0.99 0.25 -0.09 0.00 -1.03 0.00 0.00 55.69 55.82 3ekx s MET 36 Cb -1.38 0.33 0.20 0.00 -1.53 0.00 0.00 34.83 32.44 3ekx s MET 36 CO 0.72 -0.16 1.72 -1.71 -2.03 0.00 0.00 175.02 173.55 3ekx n ASN 37 N 1.84 5.36 -4.74 -1.18 2.85 -1.26 -4.98 115.26 113.14 3ekx n ASN 37 Ca -0.18 -3.14 -0.40 0.00 -0.11 0.00 0.00 54.58 50.75 3ekx n ASN 37 Cb 0.56 -1.45 -0.05 0.00 1.24 0.00 0.00 39.78 40.08 3ekx n ASN 37 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 3ekx s LEU 38 N -0.41 4.59 0.65 1.20 2.96 -1.26 -5.02 118.68 121.39 3ekx s LEU 38 Ca 0.38 1.92 -0.16 0.00 -0.22 0.00 0.00 54.13 56.06 3ekx s LEU 38 Cb 0.06 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.15 3ekx s LEU 38 CO 0.02 0.06 1.12 -2.16 -1.32 0.00 0.00 176.35 174.07 3ekx s PRO 39 N -0.79 2.81 0.00 0.98 0.04 -1.26 -4.95 135.00 131.83 3ekx s PRO 39 Ca 0.43 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.92 3ekx s PRO 39 Cb -0.26 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3ekx s PRO 39 CO 0.32 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.52 3ekx n GLY 40 N -0.37 1.16 3.79 0.56 0.00 -1.26 -5.01 105.19 104.06 3ekx n GLY 40 Ca 0.11 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 3ekx n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ekx s LYS 41 N -1.39 3.01 0.20 1.61 0.00 -1.26 -5.06 119.74 116.84 3ekx s LYS 41 Ca 0.00 1.19 -0.13 0.00 0.00 0.00 0.00 55.97 57.04 3ekx s LYS 41 Cb 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 37.83 35.84 3ekx s LYS 41 CO 0.00 -1.06 0.41 1.67 0.00 0.00 0.00 175.35 176.37 3ekx s TRP 42 N -2.59 0.24 -0.02 1.78 1.48 -1.26 -4.64 118.94 113.92 3ekx s TRP 42 Ca 0.63 -0.60 0.04 0.00 -1.06 0.00 0.00 56.10 55.11 3ekx s TRP 42 Cb -0.17 0.15 -0.01 0.00 -1.16 0.00 0.00 33.47 32.28 3ekx s TRP 42 CO 0.44 -0.86 -0.15 0.15 -4.06 0.00 0.00 176.95 172.46 3ekx s LYS 43 N -3.96 1.40 0.42 3.25 -0.14 -0.48 -4.89 119.74 115.34 3ekx s LYS 43 Ca 0.17 -0.54 -0.25 0.00 -1.36 0.00 0.00 55.97 53.98 3ekx s LYS 43 Cb 0.01 -1.30 -0.08 0.00 -1.68 0.00 0.00 37.83 34.78 3ekx s LYS 43 CO 0.02 0.28 1.27 -2.14 -0.76 0.00 0.00 175.35 174.02 3ekx s PRO 44 N -0.16 3.93 0.07 -1.68 0.02 -1.26 -0.04 135.00 135.87 3ekx s PRO 44 Ca 0.02 2.08 -0.14 0.00 0.02 0.00 0.00 61.00 62.97 3ekx s PRO 44 Cb -0.08 -2.69 0.02 0.00 0.02 0.00 0.00 34.50 31.77 3ekx s PRO 44 CO 0.00 -0.50 0.32 0.21 -0.33 0.00 0.00 177.00 176.71 3ekx s LYS 45 N -2.31 0.90 -0.04 5.54 2.20 -0.53 -4.87 119.74 120.62 3ekx s LYS 45 Ca 0.58 -0.62 0.07 0.00 -0.36 0.00 0.00 55.97 55.64 3ekx s LYS 45 Cb -0.36 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.33 3ekx s LYS 45 CO 0.46 -0.31 -0.25 -1.64 -0.36 0.00 0.00 175.35 173.25 3ekx s MET 46 N -3.09 2.34 0.01 4.03 -1.94 -1.26 -0.75 119.30 118.63 3ekx s MET 46 Ca -0.01 -0.89 0.04 0.00 -1.71 0.00 0.00 55.69 53.11 3ekx s MET 46 Cb 0.01 -2.07 -0.01 0.00 2.01 0.00 0.00 34.83 34.77 3ekx s MET 46 CO -0.07 0.43 -0.11 0.96 -0.01 0.00 0.00 175.02 176.22 3ekx s ILE 47 N -0.30 0.87 -0.12 2.53 -4.36 -0.63 -4.97 121.20 114.22 3ekx s ILE 47 Ca 0.01 -0.62 -0.02 0.00 -0.26 0.00 0.00 60.65 59.76 3ekx s ILE 47 Cb -0.12 -0.75 -0.03 0.00 1.25 0.00 0.00 42.46 42.80 3ekx s ILE 47 CO 0.02 0.13 -0.02 -0.83 0.24 0.00 0.00 174.94 174.48 3ekx s GLY 48 N -0.55 1.77 0.00 6.27 0.00 -1.26 -1.01 107.32 112.54 3ekx s GLY 48 Ca 0.02 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.92 3ekx s GLY 48 CO 0.00 -0.34 0.00 0.61 0.00 0.00 0.00 173.10 173.37 3ekx n GLY 49 N 2.83 6.30 0.23 0.20 0.00 -0.32 -4.98 105.19 109.44 3ekx n GLY 49 Ca -0.18 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3ekx n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ekx h ILE 50 N 0.15 0.54 -0.15 -0.61 1.08 -2.03 -2.76 117.51 113.73 3ekx h ILE 50 Ca 0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 3ekx h ILE 50 Cb 0.00 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 3ekx h ILE 50 CO 0.00 0.03 0.00 0.61 -0.69 0.00 0.00 178.15 178.10 3ekx n GLY 51 N -1.35 0.66 0.00 5.37 0.00 -1.26 -5.04 105.19 103.57 3ekx n GLY 51 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3ekx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ekx n GLY 52 N 1.26 0.92 3.90 -0.02 0.00 -1.04 -5.10 105.19 105.11 3ekx n GLY 52 Ca 0.17 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 3ekx n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ekx s PHE 53 N -2.47 3.49 0.17 1.61 0.40 -1.26 -1.17 117.98 118.74 3ekx s PHE 53 Ca 0.00 0.26 0.09 0.00 -0.60 0.00 0.00 56.93 56.68 3ekx s PHE 53 Cb 0.00 -1.76 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 3ekx s PHE 53 CO 0.00 0.59 -0.20 0.96 0.70 0.00 0.00 175.22 177.27 3ekx s ILE 54 N -1.46 1.98 0.02 0.64 -4.36 -0.18 -4.96 121.20 112.88 3ekx s ILE 54 Ca 0.33 -1.91 -0.29 0.00 -0.26 0.00 0.00 60.65 58.52 3ekx s ILE 54 Cb -0.13 -1.90 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 3ekx s ILE 54 CO 0.25 -0.22 0.92 -0.54 0.24 0.00 0.00 174.94 175.59 3ekx s LYS 55 N -2.65 4.57 0.18 0.37 1.02 -1.26 -1.60 119.74 120.35 3ekx s LYS 55 Ca 0.16 1.32 0.02 0.00 0.02 0.00 0.00 55.97 57.49 3ekx s LYS 55 Cb -0.07 -3.43 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 3ekx s LYS 55 CO 0.07 0.06 0.01 0.14 -0.92 0.00 0.00 175.35 174.71 3ekx s VAL 56 N 0.66 0.68 -0.21 3.17 -7.23 0.07 -4.50 120.40 113.04 3ekx s VAL 56 Ca 0.48 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.60 3ekx s VAL 56 Cb -0.21 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 3ekx s VAL 56 CO 0.27 -0.45 0.04 -0.13 -0.31 0.00 0.00 175.10 174.52 3ekx s ARG 57 N -3.92 3.72 -0.37 4.82 0.52 0.26 -1.45 118.95 122.52 3ekx s ARG 57 Ca 0.25 -0.46 -0.18 0.00 -0.52 0.00 0.00 55.73 54.82 3ekx s ARG 57 Cb 0.06 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.34 3ekx s ARG 57 CO 0.05 0.01 0.49 -1.14 0.02 0.00 0.00 175.30 174.73 3ekx s GLN 58 N 1.04 3.50 -0.15 3.54 0.74 0.94 -0.76 119.66 128.51 3ekx s GLN 58 Ca 0.03 -0.31 -0.06 0.00 0.05 0.00 0.00 55.36 55.07 3ekx s GLN 58 Cb -0.14 -3.85 -0.04 0.00 1.10 0.00 0.00 33.01 30.09 3ekx s GLN 58 CO 0.02 -0.69 0.04 0.71 -0.55 0.00 0.00 175.29 174.82 3ekx s TYR 59 N 2.33 3.22 0.11 1.67 1.51 -0.13 -1.38 117.35 124.69 3ekx s TYR 59 Ca 0.17 0.07 0.04 0.00 -1.01 0.00 0.00 57.07 56.33 3ekx s TYR 59 Cb -0.16 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 3ekx s TYR 59 CO 0.14 0.23 0.09 -0.51 -1.11 0.00 0.00 175.55 174.39 3ekx s ASP 60 N -0.01 5.48 -1.29 2.29 1.01 -1.26 -0.70 116.67 122.19 3ekx s ASP 60 Ca 0.05 -0.07 -0.04 0.00 0.71 0.00 0.00 52.55 53.20 3ekx s ASP 60 Cb -0.12 -1.44 -0.00 0.00 1.01 0.00 0.00 42.92 42.36 3ekx s ASP 60 CO 0.01 0.14 0.65 0.00 0.21 0.00 0.00 175.17 176.18 3ekx n GLN 61 N 0.18 -3.76 -3.63 8.23 1.13 -1.03 -4.92 117.38 113.59 3ekx n GLN 61 Ca -0.09 0.55 -0.37 0.00 -1.94 0.00 0.00 57.00 55.15 3ekx n GLN 61 Cb 0.53 -4.86 -0.10 0.00 0.11 0.00 0.00 30.24 25.91 3ekx n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ekx s ILE 62 N -3.70 5.34 0.26 5.09 -1.09 -0.21 -4.74 121.20 122.14 3ekx s ILE 62 Ca 0.10 0.18 -0.30 0.00 -2.23 0.00 0.00 60.65 58.40 3ekx s ILE 62 Cb -0.03 -3.51 -0.10 0.00 -1.58 0.00 0.00 42.46 37.23 3ekx s ILE 62 CO 0.84 0.30 1.41 -2.84 -1.23 0.00 0.00 174.94 173.42 3ekx s PRO 63 N 1.35 4.28 -0.15 2.79 0.02 -1.26 -2.26 135.00 139.78 3ekx s PRO 63 Ca 0.07 2.28 -0.07 0.00 0.02 0.00 0.00 61.00 63.30 3ekx s PRO 63 Cb -0.15 -3.11 0.06 0.00 0.02 0.00 0.00 34.50 31.33 3ekx s PRO 63 CO 0.07 -0.38 0.34 -1.50 -0.33 0.00 0.00 177.00 175.21 3ekx s ILE 64 N -0.19 -0.17 -0.15 2.83 2.07 -0.21 -4.44 121.20 120.93 3ekx s ILE 64 Ca 0.57 0.15 -0.13 0.00 -1.41 0.00 0.00 60.65 59.83 3ekx s ILE 64 Cb -0.41 -0.53 -0.05 0.00 0.13 0.00 0.00 42.46 41.60 3ekx s ILE 64 CO 0.45 0.06 0.26 -0.70 -1.91 0.00 0.00 174.94 173.10 3ekx s GLU 65 N 1.66 4.16 -0.24 3.50 2.12 -0.09 -1.35 118.70 128.45 3ekx s GLU 65 Ca -0.07 0.04 0.01 0.00 0.36 0.00 0.00 54.97 55.32 3ekx s GLU 65 Cb -0.10 -3.39 0.04 0.00 0.26 0.00 0.00 34.13 30.94 3ekx s GLU 65 CO -0.11 0.32 -0.11 0.42 -0.54 0.00 0.00 175.26 175.24 3ekx s ILE 66 N 0.24 2.38 -1.57 -3.70 1.01 0.10 -0.31 121.20 119.34 3ekx s ILE 66 Ca 0.15 -1.33 -0.12 0.00 0.00 0.00 0.00 60.65 59.36 3ekx s ILE 66 Cb -0.13 -2.27 0.09 0.00 0.01 0.00 0.00 42.46 40.17 3ekx s ILE 66 CO 0.03 0.14 0.74 0.00 0.00 0.00 0.00 174.94 175.85 3ekx n GLY 68 N -1.63 1.23 3.57 0.00 0.00 -1.26 -5.03 105.19 102.06 3ekx n GLY 68 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3ekx n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ekx s HIS 69 N -3.56 3.18 0.27 1.61 4.02 0.07 -5.08 115.29 115.81 3ekx s HIS 69 Ca 0.00 -0.09 -0.29 0.00 1.02 0.00 0.00 55.06 55.69 3ekx s HIS 69 Cb 0.00 -2.15 -0.09 0.00 -1.02 0.00 0.00 32.58 29.32 3ekx s HIS 69 CO 0.00 -0.04 1.04 0.15 1.02 0.00 0.00 174.74 176.91 3ekx s LYS 70 N 0.87 4.70 0.14 1.40 1.02 -1.26 -0.72 119.74 125.88 3ekx s LYS 70 Ca 0.04 1.68 -0.06 0.00 0.02 0.00 0.00 55.97 57.65 3ekx s LYS 70 Cb -0.14 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 33.96 3ekx s LYS 70 CO 0.02 0.30 0.19 0.00 -0.92 0.00 0.00 175.35 174.95 3ekx s ALA 71 N -1.19 0.27 -0.25 5.17 0.00 -0.46 -4.77 121.76 120.53 3ekx s ALA 71 Ca 0.44 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 51.20 3ekx s ALA 71 Cb -0.29 0.79 0.07 0.00 0.00 0.00 0.00 23.12 23.69 3ekx s ALA 71 CO 0.37 -0.57 0.61 -1.50 0.00 0.00 0.00 175.76 174.67 3ekx s ILE 72 N -3.98 -0.01 -1.40 0.00 2.07 -1.26 -1.04 121.20 115.57 3ekx s ILE 72 Ca 0.17 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 3ekx s ILE 72 Cb 0.05 -0.88 0.00 0.00 0.13 0.00 0.00 42.46 41.76 3ekx s ILE 72 CO -0.01 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 3ekx n GLY 73 N 4.30 -0.61 3.74 1.50 0.00 -0.96 -4.87 105.19 108.30 3ekx n GLY 73 Ca -0.21 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 3ekx n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ekx s THR 74 N -3.36 4.84 -0.08 2.61 2.01 -1.26 -1.05 115.64 119.35 3ekx s THR 74 Ca 0.00 1.59 0.02 0.00 0.31 0.00 0.00 61.69 63.62 3ekx s THR 74 Cb 0.00 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.42 3ekx s THR 74 CO 0.00 0.32 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.42 3ekx s VAL 75 N 0.26 1.29 -0.16 3.82 1.01 0.12 -4.48 120.40 122.27 3ekx s VAL 75 Ca 0.39 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 3ekx s VAL 75 Cb -0.20 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3ekx s VAL 75 CO 0.22 0.39 0.12 -0.76 0.00 0.00 0.00 175.10 175.07 3ekx s LEU 76 N 0.72 4.18 -0.11 3.92 1.43 -0.31 -0.95 118.68 127.56 3ekx s LEU 76 Ca -0.13 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 3ekx s LEU 76 Cb -0.16 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 3ekx s LEU 76 CO 0.03 0.27 -0.23 -0.69 0.23 0.00 0.00 176.35 175.97 3ekx s VAL 77 N -0.22 2.16 -0.02 -1.59 1.01 0.06 0.26 120.40 122.05 3ekx s VAL 77 Ca 0.10 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 3ekx s VAL 77 Cb -0.12 -1.83 0.05 0.00 0.00 0.00 0.00 36.38 34.48 3ekx s VAL 77 CO 0.01 0.56 0.72 0.61 0.00 0.00 0.00 175.10 177.00 3ekx n GLY 78 N 3.56 0.35 2.90 4.51 0.00 -0.73 -0.58 105.19 115.21 3ekx n GLY 78 Ca -0.19 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 3ekx n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ekx n PRO 79 N -0.52 2.53 -4.04 1.61 -0.04 -1.26 -2.35 135.00 130.93 3ekx n PRO 79 Ca 0.03 -2.48 -0.34 0.00 -0.04 0.00 0.00 63.50 60.67 3ekx n PRO 79 Cb 0.32 -3.23 -0.07 0.00 -0.04 0.00 0.00 33.50 30.48 3ekx n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3ekx s THR 80 N 3.90 4.98 -0.73 0.52 -1.32 -1.26 -5.01 115.64 116.72 3ekx s THR 80 Ca 0.51 -0.24 0.24 0.00 -1.21 0.00 0.00 61.69 60.98 3ekx s THR 80 Cb 0.13 -3.26 0.24 0.00 -1.51 0.00 0.00 72.50 68.10 3ekx s THR 80 CO -0.02 0.41 1.74 -0.81 -2.21 0.00 0.00 174.62 173.72 3ekx n PRO 81 N 1.32 0.16 -3.86 7.08 -0.04 -1.26 -4.57 135.00 133.84 3ekx n PRO 81 Ca -0.14 0.25 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 3ekx n PRO 81 Cb 0.53 -1.73 -0.14 0.00 -0.04 0.00 0.00 33.50 32.12 3ekx n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ekx s VAL 82 N -3.14 0.00 0.06 0.52 1.01 -1.26 -5.06 120.40 112.54 3ekx s VAL 82 Ca 0.09 -0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.74 3ekx s VAL 82 Cb 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 36.38 36.38 3ekx s VAL 82 CO 0.47 -0.01 1.21 0.20 0.00 0.00 0.00 175.10 176.97 3ekx s ASN 83 N -0.02 7.07 -0.19 3.32 0.01 -1.26 -4.56 114.94 119.30 3ekx s ASN 83 Ca -0.00 2.03 0.00 0.00 -0.71 0.00 0.00 52.86 54.18 3ekx s ASN 83 Cb -0.00 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.09 3ekx s ASN 83 CO 0.00 -0.48 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.31 3ekx s ILE 84 N 1.08 2.28 -0.39 0.60 -1.09 0.56 -0.21 121.20 124.03 3ekx s ILE 84 Ca 0.59 -0.91 -0.17 0.00 -2.23 0.00 0.00 60.65 57.94 3ekx s ILE 84 Cb -0.30 -2.00 0.01 0.00 -1.58 0.00 0.00 42.46 38.59 3ekx s ILE 84 CO 0.29 0.49 0.41 -0.63 -1.23 0.00 0.00 174.94 174.27 3ekx s ILE 85 N 1.31 5.11 0.47 2.92 -1.09 0.34 -0.90 121.20 129.37 3ekx s ILE 85 Ca 0.04 -0.14 0.08 0.00 -2.23 0.00 0.00 60.65 58.40 3ekx s ILE 85 Cb -0.14 -3.95 0.08 0.00 -1.58 0.00 0.00 42.46 36.87 3ekx s ILE 85 CO -0.11 -0.28 0.66 0.61 -1.23 0.00 0.00 174.94 174.58 3ekx n GLY 86 N 5.03 1.93 0.27 6.18 0.00 -1.19 -1.20 105.19 116.20 3ekx n GLY 86 Ca -0.08 -2.20 0.06 0.00 0.00 0.00 0.00 46.02 43.80 3ekx n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ekx h ARG 87 N 0.00 0.18 -0.78 1.61 3.08 -0.96 -1.68 114.38 115.83 3ekx h ARG 87 Ca -0.22 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 59.95 3ekx h ARG 87 Cb 1.01 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.97 3ekx h ARG 87 CO 0.31 0.17 0.51 -2.95 -1.07 0.00 0.00 179.97 176.94 3ekx h ASN 88 N 0.18 0.47 0.07 7.04 -1.07 -1.80 -1.98 115.58 118.48 3ekx h ASN 88 Ca 0.05 0.02 -0.36 0.00 0.07 0.00 0.00 56.30 56.08 3ekx h ASN 88 Cb 0.07 -0.07 -0.07 0.00 -2.07 0.00 0.00 38.32 36.18 3ekx h ASN 88 CO -0.00 0.25 -2.30 0.18 0.07 0.00 0.00 177.43 175.62 3ekx n LEU 89 N -4.50 0.67 -0.21 6.14 4.77 -0.86 -4.25 117.00 118.75 3ekx n LEU 89 Ca 0.15 0.04 0.03 0.00 -0.03 0.00 0.00 56.01 56.19 3ekx n LEU 89 Cb 0.49 0.18 0.28 0.00 -2.33 0.00 0.00 43.42 42.04 3ekx n LEU 89 CO 0.32 0.57 1.23 -0.07 -1.33 0.00 0.00 177.39 178.11 3ekx h LEU 90 N 0.00 0.80 -0.94 2.23 3.38 -1.05 -1.86 115.31 117.87 3ekx h LEU 90 Ca -0.52 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.38 3ekx h LEU 90 Cb 2.16 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.70 3ekx h LEU 90 CO 0.02 0.55 0.05 0.71 0.09 0.00 0.00 178.44 179.86 3ekx h THR 91 N 0.93 1.24 0.00 0.22 1.35 -1.57 -1.87 112.91 113.21 3ekx h THR 91 Ca 0.30 -0.94 -0.04 0.00 -0.55 0.00 0.00 66.41 65.18 3ekx h THR 91 Cb 0.05 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.26 3ekx h THR 91 CO -0.09 0.34 -0.19 1.56 -0.25 0.00 0.00 175.52 176.89 3ekx h GLN 92 N 0.78 0.00 -0.68 4.72 4.20 -1.52 -1.70 115.11 120.91 3ekx h GLN 92 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3ekx h GLN 92 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3ekx h GLN 92 CO 0.01 0.19 0.00 0.44 -0.67 0.00 0.00 178.83 178.80 3ekx n ILE 93 N -3.89 0.91 -2.55 2.54 -5.35 -1.11 -4.95 119.36 104.96 3ekx n ILE 93 Ca -0.02 -0.92 -0.14 0.00 -0.27 0.00 0.00 62.75 61.40 3ekx n ILE 93 Cb 0.28 0.49 0.01 0.00 -1.74 0.00 0.00 39.64 38.69 3ekx n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ekx n GLY 94 N 1.60 -0.14 3.73 3.28 0.00 -0.64 -4.98 105.19 108.04 3ekx n GLY 94 Ca 0.23 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3ekx n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ekx s THR 96 N 0.12 1.56 -0.13 0.00 -4.23 -1.26 -4.72 115.64 106.98 3ekx s THR 96 Ca 0.46 -2.16 -0.08 0.00 -1.18 0.00 0.00 61.69 58.74 3ekx s THR 96 Cb -0.23 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.51 3ekx s THR 96 CO 0.29 -0.58 0.14 -0.76 -0.54 0.00 0.00 174.62 173.17 3ekx s LEU 97 N -3.30 4.36 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.57 3ekx s LEU 97 Ca 0.22 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 3ekx s LEU 97 Cb 0.01 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.17 3ekx s LEU 97 CO 0.06 0.37 0.00 0.20 0.23 0.00 0.00 176.35 177.21 3ekx s ASN 98 N -0.78 0.48 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.51 3ekx s ASN 98 Ca 0.14 -0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.41 3ekx s ASN 98 Cb -0.12 -0.22 0.00 0.00 -0.02 0.00 0.00 41.25 40.89 3ekx s ASN 98 CO 0.03 -0.11 0.00 2.22 -2.57 0.00 0.00 177.10 176.67