#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fxe s GLN 2 N 0.00 2.90 -0.21 0.54 0.74 -1.26 -5.11 119.66 117.26 2fxe s GLN 2 Ca 0.00 -0.75 0.02 0.00 0.05 0.00 0.00 55.36 54.68 2fxe s GLN 2 Cb 0.00 -2.43 0.04 0.00 1.10 0.00 0.00 33.01 31.72 2fxe s GLN 2 CO 0.00 0.38 -0.15 0.42 -0.55 0.00 0.00 175.29 175.39 2fxe s ILE 3 N -0.11 2.02 0.89 -2.34 1.01 -1.26 -5.12 121.20 116.29 2fxe s ILE 3 Ca -0.03 -1.21 -0.12 0.00 0.00 0.00 0.00 60.65 59.30 2fxe s ILE 3 Cb -0.14 -1.99 0.12 0.00 0.01 0.00 0.00 42.46 40.47 2fxe s ILE 3 CO 0.04 0.26 1.13 0.42 0.00 0.00 0.00 174.94 176.79 2fxe s THR 4 N 1.24 2.21 -0.22 2.92 -4.23 -1.26 -4.99 115.64 111.31 2fxe s THR 4 Ca -0.01 0.07 0.15 0.00 -1.18 0.00 0.00 61.69 60.72 2fxe s THR 4 Cb -0.16 -2.82 0.37 0.00 1.34 0.00 0.00 72.50 71.23 2fxe s THR 4 CO -0.09 -0.09 1.26 0.18 -0.54 0.00 0.00 174.62 175.34 2fxe n LEU 5 N -3.70 3.04 -0.17 4.79 4.77 -1.26 -4.55 117.00 119.92 2fxe n LEU 5 Ca 0.07 -2.84 0.05 0.00 -0.03 0.00 0.00 56.01 53.25 2fxe n LEU 5 Cb 0.59 -0.42 0.34 0.00 -2.33 0.00 0.00 43.42 41.60 2fxe n LEU 5 CO 0.57 0.68 1.22 -0.50 -1.33 0.00 0.00 177.39 178.02 2fxe h TRP 6 N 0.99 0.78 -2.48 -1.77 4.06 -2.06 -3.43 115.95 112.03 2fxe h TRP 6 Ca 0.00 0.02 -0.52 0.00 2.06 0.00 0.00 58.89 60.45 2fxe h TRP 6 Cb 1.12 -0.26 -0.14 0.00 -1.00 0.00 0.00 29.16 28.88 2fxe h TRP 6 CO 0.24 0.44 -0.61 0.15 -3.56 0.00 0.00 178.44 175.09 2fxe s LYS 7 N -5.69 1.73 0.17 0.49 1.02 -1.26 -5.10 119.74 111.09 2fxe s LYS 7 Ca -0.10 -1.96 -0.34 0.00 0.02 0.00 0.00 55.97 53.60 2fxe s LYS 7 Cb 0.19 -1.12 -0.14 0.00 -0.52 0.00 0.00 37.83 36.24 2fxe s LYS 7 CO 0.77 -0.12 1.60 0.54 -0.92 0.00 0.00 175.35 177.21 2fxe n ARG 8 N -0.76 2.24 -2.35 1.68 1.74 -1.26 -4.84 116.66 113.12 2fxe n ARG 8 Ca -0.03 0.81 -0.38 0.00 -0.77 0.00 0.00 57.85 57.47 2fxe n ARG 8 Cb 0.66 -2.59 -0.02 0.00 -1.02 0.00 0.00 32.46 29.50 2fxe n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2fxe n PRO 9 N 3.49 2.64 -4.03 5.56 -0.04 -1.26 -4.93 135.00 136.43 2fxe n PRO 9 Ca 0.17 -2.96 -0.34 0.00 -0.04 0.00 0.00 63.50 60.32 2fxe n PRO 9 Cb 0.30 -3.55 -0.10 0.00 -0.04 0.00 0.00 33.50 30.11 2fxe n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2fxe s ILE 10 N 6.35 4.72 0.27 0.52 1.01 -1.26 -1.12 121.20 131.69 2fxe s ILE 10 Ca 0.58 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.21 2fxe s ILE 10 Cb 0.03 -3.12 -0.06 0.00 0.01 0.00 0.00 42.46 39.32 2fxe s ILE 10 CO 0.09 0.46 0.03 0.68 0.00 0.00 0.00 174.94 176.20 2fxe s VAL 11 N 0.38 1.05 0.06 2.92 -7.23 -0.10 -4.91 120.40 112.58 2fxe s VAL 11 Ca 0.03 -2.02 -0.25 0.00 -1.81 0.00 0.00 61.98 57.92 2fxe s VAL 11 Cb -0.13 -2.55 -0.06 0.00 0.56 0.00 0.00 36.38 34.20 2fxe s VAL 11 CO 0.00 -0.16 0.76 -0.89 -0.31 0.00 0.00 175.10 174.51 2fxe s THR 12 N -3.40 4.68 0.20 5.32 2.01 -1.26 -0.37 115.64 122.82 2fxe s THR 12 Ca 0.33 1.63 0.09 0.00 0.31 0.00 0.00 61.69 64.05 2fxe s THR 12 Cb 0.07 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 2fxe s THR 12 CO 0.12 0.39 -0.17 0.68 -0.69 0.00 0.00 174.62 174.95 2fxe s VAL 13 N -0.22 1.93 -0.16 3.82 -7.23 0.12 -1.34 120.40 117.31 2fxe s VAL 13 Ca 0.38 -2.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 2fxe s VAL 13 Cb -0.21 -2.02 0.01 0.00 0.56 0.00 0.00 36.38 34.72 2fxe s VAL 13 CO 0.23 -0.44 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.67 2fxe s LYS 14 N -3.26 3.13 -0.10 4.82 2.20 0.49 -0.91 119.74 126.11 2fxe s LYS 14 Ca 0.21 -0.78 -0.07 0.00 -0.36 0.00 0.00 55.97 54.97 2fxe s LYS 14 Cb -0.04 -2.60 0.03 0.00 -1.51 0.00 0.00 37.83 33.72 2fxe s LYS 14 CO 0.08 -0.06 0.24 -1.50 -0.36 0.00 0.00 175.35 173.76 2fxe s ILE 15 N 0.98 -0.02 -1.94 5.43 2.07 -0.05 -1.38 121.20 126.29 2fxe s ILE 15 Ca -0.02 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 2fxe s ILE 15 Cb -0.15 -0.36 0.00 0.00 0.13 0.00 0.00 42.46 42.08 2fxe s ILE 15 CO -0.04 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 2fxe n GLY 16 N 3.53 0.49 1.67 1.50 0.00 -1.26 -1.11 105.19 110.01 2fxe n GLY 16 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2fxe n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fxe n GLY 17 N -0.79 0.60 3.32 -0.02 0.00 -1.26 -5.04 105.19 102.00 2fxe n GLY 17 Ca -0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 2fxe n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fxe s GLN 18 N -0.18 1.30 -0.08 1.61 -0.21 -0.27 -5.13 119.66 116.70 2fxe s GLN 18 Ca 0.00 -1.20 -0.13 0.00 0.02 0.00 0.00 55.36 54.05 2fxe s GLN 18 Cb 0.00 -1.63 -0.05 0.00 1.00 0.00 0.00 33.01 32.33 2fxe s GLN 18 CO 0.00 0.39 0.32 -0.51 -2.12 0.00 0.00 175.29 173.37 2fxe s LEU 19 N -1.84 4.38 0.05 2.90 1.43 -1.26 -0.87 118.68 123.46 2fxe s LEU 19 Ca 0.10 0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 53.90 2fxe s LEU 19 Cb -0.10 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 2fxe s LEU 19 CO 0.04 0.26 -0.01 -0.54 0.23 0.00 0.00 176.35 176.33 2fxe s LYS 20 N -0.52 0.60 -0.04 1.70 1.02 -0.09 -4.98 119.74 117.43 2fxe s LYS 20 Ca 0.20 -1.15 -0.16 0.00 0.02 0.00 0.00 55.97 54.88 2fxe s LYS 20 Cb -0.15 0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 37.32 2fxe s LYS 20 CO 0.08 -0.12 0.42 -1.21 -0.92 0.00 0.00 175.35 173.60 2fxe s GLU 21 N -3.72 4.06 0.03 1.68 0.41 -1.26 0.15 118.70 120.05 2fxe s GLU 21 Ca 0.05 0.39 -0.03 0.00 -0.41 0.00 0.00 54.97 54.98 2fxe s GLU 21 Cb 0.06 -3.29 -0.02 0.00 -1.78 0.00 0.00 34.13 29.10 2fxe s GLU 21 CO -0.09 0.51 0.03 0.00 -0.49 0.00 0.00 175.26 175.22 2fxe s ALA 22 N -0.50 0.06 -0.25 5.21 0.00 0.50 -4.43 121.76 122.35 2fxe s ALA 22 Ca 0.24 -0.60 -0.16 0.00 0.00 0.00 0.00 51.96 51.43 2fxe s ALA 22 Cb -0.16 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 2fxe s ALA 22 CO 0.12 -0.25 0.43 -1.17 0.00 0.00 0.00 175.76 174.89 2fxe s LEU 23 N -1.87 4.07 -0.43 0.00 2.96 0.85 -0.93 118.68 123.34 2fxe s LEU 23 Ca -0.09 0.42 -0.29 0.00 -0.22 0.00 0.00 54.13 53.95 2fxe s LEU 23 Cb -0.04 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.14 2fxe s LEU 23 CO -0.03 -0.19 1.25 -0.76 -1.32 0.00 0.00 176.35 175.30 2fxe s LEU 24 N 1.98 3.66 -0.32 -0.68 1.43 -0.27 -0.42 118.68 124.05 2fxe s LEU 24 Ca 0.18 0.71 0.02 0.00 -1.03 0.00 0.00 54.13 54.01 2fxe s LEU 24 Cb -0.15 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.62 2fxe s LEU 24 CO 0.09 -1.28 0.06 -0.62 0.23 0.00 0.00 176.35 174.83 2fxe s ASP 25 N 3.00 4.46 0.31 2.29 -1.08 -0.22 -4.80 116.67 120.63 2fxe s ASP 25 Ca 0.54 -1.91 0.25 0.00 -0.52 0.00 0.00 52.55 50.90 2fxe s ASP 25 Cb -0.11 -1.33 1.06 0.00 -1.46 0.00 0.00 42.92 41.08 2fxe s ASP 25 CO 0.30 -0.38 1.76 0.71 0.52 0.00 0.00 175.17 178.08 2fxe h THR 26 N 6.57 0.00 -0.44 1.71 1.35 -1.93 -2.63 112.91 117.54 2fxe h THR 26 Ca -0.08 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2fxe h THR 26 Cb 1.02 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2fxe h THR 26 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 2fxe n GLY 27 N -0.03 1.21 3.35 5.82 0.00 -1.26 -4.83 105.19 109.44 2fxe n GLY 27 Ca 0.02 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 2fxe n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fxe s ALA 28 N -1.41 2.78 0.16 4.61 0.00 -0.99 -4.99 121.76 121.92 2fxe s ALA 28 Ca 0.33 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 2fxe s ALA 28 Cb 0.18 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 21.77 2fxe s ALA 28 CO 0.24 -0.18 1.60 -0.44 0.00 0.00 0.00 175.76 176.98 2fxe h ASP 29 N 7.57 0.93 -1.82 0.00 5.19 -1.88 0.47 116.42 126.88 2fxe h ASP 29 Ca -0.36 -0.32 -0.56 0.00 -0.62 0.00 0.00 57.03 55.16 2fxe h ASP 29 Cb 1.18 -0.25 -0.09 0.00 0.18 0.00 0.00 39.33 40.35 2fxe h ASP 29 CO 0.60 1.03 -0.56 -1.81 -3.12 0.00 0.00 179.24 175.38 2fxe s ASP 30 N -6.47 4.43 -0.23 6.45 1.01 -1.26 -3.13 116.67 117.48 2fxe s ASP 30 Ca -0.12 -0.93 -0.10 0.00 0.71 0.00 0.00 52.55 52.11 2fxe s ASP 30 Cb 0.12 -0.59 -0.05 0.00 1.01 0.00 0.00 42.92 43.41 2fxe s ASP 30 CO 0.84 -0.34 0.15 -0.89 0.21 0.00 0.00 175.17 175.14 2fxe s THR 31 N -2.50 5.32 -0.15 -1.27 2.01 -1.26 -3.29 115.64 114.50 2fxe s THR 31 Ca 0.37 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.54 2fxe s THR 31 Cb 0.00 -3.47 0.03 0.00 0.01 0.00 0.00 72.50 69.07 2fxe s THR 31 CO 0.21 0.37 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.70 2fxe s VAL 32 N 0.91 1.46 -0.06 3.82 1.01 -0.18 -0.43 120.40 126.94 2fxe s VAL 32 Ca 0.07 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.43 2fxe s VAL 32 Cb -0.13 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 2fxe s VAL 32 CO 0.03 0.36 -0.13 -0.63 0.00 0.00 0.00 175.10 174.73 2fxe s ILE 33 N 1.52 3.19 0.64 2.22 -1.09 0.11 -0.24 121.20 127.55 2fxe s ILE 33 Ca 0.03 -0.67 -0.17 0.00 -2.23 0.00 0.00 60.65 57.61 2fxe s ILE 33 Cb -0.14 -2.26 -0.03 0.00 -1.58 0.00 0.00 42.46 38.45 2fxe s ILE 33 CO -0.10 0.59 0.99 -1.84 -1.23 0.00 0.00 174.94 173.35 2fxe n GLU 34 N 2.32 0.79 -1.72 2.79 0.28 -1.26 -2.25 120.64 121.60 2fxe n GLU 34 Ca -0.17 0.32 -0.67 0.00 -0.16 0.00 0.00 57.16 56.47 2fxe n GLU 34 Cb 0.52 -2.21 -0.10 0.00 1.43 0.00 0.00 31.44 31.08 2fxe n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2fxe n GLU 35 N -1.35 0.04 -3.77 3.44 4.07 -1.05 -4.66 120.64 117.37 2fxe n GLU 35 Ca 0.14 0.02 -0.13 0.00 -0.06 0.00 0.00 57.16 57.13 2fxe n GLU 35 Cb 0.48 -1.52 -0.10 0.00 -0.06 0.00 0.00 31.44 30.24 2fxe n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2fxe s MET 36 N 3.19 0.53 -1.47 5.31 0.23 -1.26 -5.02 119.30 120.81 2fxe s MET 36 Ca 1.06 0.05 -0.12 0.00 -1.03 0.00 0.00 55.69 55.65 2fxe s MET 36 Cb -1.48 0.24 0.03 0.00 -1.53 0.00 0.00 34.83 32.09 2fxe s MET 36 CO 0.80 -0.12 2.36 -1.71 -2.03 0.00 0.00 175.02 174.33 2fxe n ASN 37 N 1.97 5.43 -4.77 -1.18 5.15 -1.26 -4.94 115.26 115.66 2fxe n ASN 37 Ca -0.18 -2.83 -0.40 0.00 -0.60 0.00 0.00 54.58 50.57 2fxe n ASN 37 Cb 0.57 -1.59 -0.03 0.00 -0.53 0.00 0.00 39.78 38.20 2fxe n ASN 37 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2fxe s LEU 38 N 1.14 4.37 0.62 1.20 2.96 -1.26 -5.01 118.68 122.70 2fxe s LEU 38 Ca 0.52 2.46 -0.15 0.00 -0.22 0.00 0.00 54.13 56.73 2fxe s LEU 38 Cb 0.15 -3.79 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 2fxe s LEU 38 CO -0.07 -0.50 1.08 -2.84 -1.32 0.00 0.00 176.35 172.70 2fxe s PRO 39 N -1.91 3.09 0.04 0.98 0.02 -1.26 -4.99 135.00 130.97 2fxe s PRO 39 Ca 0.51 1.30 0.00 0.00 0.02 0.00 0.00 61.00 62.83 2fxe s PRO 39 Cb -0.34 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.18 2fxe s PRO 39 CO 0.45 -1.01 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 2fxe n GLY 40 N -0.75 -3.53 3.81 0.52 0.00 -1.26 -4.98 105.19 99.01 2fxe n GLY 40 Ca 0.10 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 2fxe n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fxe s LYS 41 N -0.77 3.87 0.23 1.61 1.02 -1.26 -5.07 119.74 119.37 2fxe s LYS 41 Ca 0.00 1.21 -0.06 0.00 0.02 0.00 0.00 55.97 57.14 2fxe s LYS 41 Cb 0.00 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 35.17 2fxe s LYS 41 CO 0.00 -0.35 0.30 1.67 -0.92 0.00 0.00 175.35 176.05 2fxe s TRP 42 N -2.21 0.83 -0.02 3.18 1.48 -1.26 -4.67 118.94 116.28 2fxe s TRP 42 Ca 0.64 -1.11 0.04 0.00 -1.06 0.00 0.00 56.10 54.62 2fxe s TRP 42 Cb -0.13 -0.22 -0.01 0.00 -1.16 0.00 0.00 33.47 31.95 2fxe s TRP 42 CO 0.22 -0.83 -0.14 0.21 -4.06 0.00 0.00 176.95 172.35 2fxe s LYS 43 N -4.01 1.25 0.30 3.25 2.20 -0.49 -4.89 119.74 117.34 2fxe s LYS 43 Ca 0.32 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.12 2fxe s LYS 43 Cb 0.03 -1.18 -0.11 0.00 -1.51 0.00 0.00 37.83 35.06 2fxe s LYS 43 CO 0.12 0.29 1.53 -2.14 -0.36 0.00 0.00 175.35 174.78 2fxe s PRO 44 N -0.24 4.16 0.02 4.03 0.02 -1.26 -0.37 135.00 141.36 2fxe s PRO 44 Ca 0.04 2.50 -0.10 0.00 0.02 0.00 0.00 61.00 63.46 2fxe s PRO 44 Cb -0.07 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.43 2fxe s PRO 44 CO -0.00 -0.55 0.20 0.21 -0.33 0.00 0.00 177.00 176.53 2fxe s LYS 45 N -0.84 0.63 -0.06 5.54 2.20 -0.88 -4.85 119.74 121.47 2fxe s LYS 45 Ca 0.60 -0.48 0.05 0.00 -0.36 0.00 0.00 55.97 55.78 2fxe s LYS 45 Cb -0.46 0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 36.12 2fxe s LYS 45 CO 0.50 -0.17 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.46 2fxe s MET 46 N -1.99 2.37 0.07 4.03 -1.94 -1.26 -1.01 119.30 119.57 2fxe s MET 46 Ca -0.10 -0.80 0.07 0.00 -1.71 0.00 0.00 55.69 53.15 2fxe s MET 46 Cb -0.04 -1.98 -0.03 0.00 2.01 0.00 0.00 34.83 34.79 2fxe s MET 46 CO -0.01 0.31 -0.19 0.96 -0.01 0.00 0.00 175.02 176.08 2fxe s ILE 47 N -0.02 1.57 -0.12 2.53 -4.36 -0.77 -4.95 121.20 115.08 2fxe s ILE 47 Ca -0.06 -1.33 -0.02 0.00 -0.26 0.00 0.00 60.65 58.98 2fxe s ILE 47 Cb -0.14 -1.41 -0.03 0.00 1.25 0.00 0.00 42.46 42.14 2fxe s ILE 47 CO 0.04 0.02 -0.05 -0.83 0.24 0.00 0.00 174.94 174.36 2fxe s GLY 48 N -1.54 1.71 0.00 6.27 0.00 -1.26 -1.34 107.32 111.15 2fxe s GLY 48 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.93 2fxe s GLY 48 CO 0.03 -0.32 0.00 0.61 0.00 0.00 0.00 173.10 173.42 2fxe n GLY 49 N 2.98 7.17 0.35 0.20 0.00 0.17 -4.98 105.19 111.08 2fxe n GLY 49 Ca -0.18 -1.98 0.04 0.00 0.00 0.00 0.00 46.02 43.90 2fxe n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2fxe h ILE 50 N 0.12 1.09 -0.02 -0.61 6.09 -2.03 -2.96 117.51 119.19 2fxe h ILE 50 Ca 0.00 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 63.20 2fxe h ILE 50 Cb 0.00 0.16 0.00 0.00 0.47 0.00 0.00 36.82 37.45 2fxe h ILE 50 CO 0.00 0.16 -0.38 0.61 -3.07 0.00 0.00 178.15 175.47 2fxe n GLY 51 N -1.44 0.14 0.00 8.18 0.00 -1.26 -5.08 105.19 105.74 2fxe n GLY 51 Ca 0.10 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2fxe n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fxe n GLY 52 N 1.34 0.88 3.77 -0.02 0.00 -1.12 -5.12 105.19 104.91 2fxe n GLY 52 Ca 0.09 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 2fxe n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fxe s PHE 53 N -2.81 3.17 0.18 1.61 0.40 -1.26 -0.65 117.98 118.62 2fxe s PHE 53 Ca 0.00 0.07 0.08 0.00 -0.60 0.00 0.00 56.93 56.49 2fxe s PHE 53 Cb 0.00 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2fxe s PHE 53 CO 0.00 0.52 -0.17 0.96 0.70 0.00 0.00 175.22 177.23 2fxe s ILE 54 N -1.37 1.82 -0.03 0.64 -4.36 -0.45 -4.95 121.20 112.51 2fxe s ILE 54 Ca 0.29 -2.03 -0.20 0.00 -0.26 0.00 0.00 60.65 58.45 2fxe s ILE 54 Cb -0.12 -1.92 -0.05 0.00 1.25 0.00 0.00 42.46 41.62 2fxe s ILE 54 CO 0.21 -0.40 0.58 -0.54 0.24 0.00 0.00 174.94 175.02 2fxe s LYS 55 N -3.08 4.31 0.21 0.37 1.02 -1.26 -1.86 119.74 119.45 2fxe s LYS 55 Ca 0.18 0.68 0.01 0.00 0.02 0.00 0.00 55.97 56.87 2fxe s LYS 55 Cb -0.04 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.86 2fxe s LYS 55 CO 0.07 0.31 0.06 0.14 -0.92 0.00 0.00 175.35 175.02 2fxe s VAL 56 N 0.02 0.47 -0.22 3.17 -7.23 -0.18 -4.48 120.40 111.96 2fxe s VAL 56 Ca 0.30 -1.98 -0.08 0.00 -1.81 0.00 0.00 61.98 58.42 2fxe s VAL 56 Cb -0.18 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2fxe s VAL 56 CO 0.16 -0.22 0.07 -0.13 -0.31 0.00 0.00 175.10 174.67 2fxe s ARG 57 N -4.01 3.85 -0.36 4.82 0.52 0.55 -2.07 118.95 122.25 2fxe s ARG 57 Ca 0.32 -0.40 -0.19 0.00 -0.52 0.00 0.00 55.73 54.94 2fxe s ARG 57 Cb 0.07 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.25 2fxe s ARG 57 CO 0.09 0.06 0.58 -1.14 0.02 0.00 0.00 175.30 174.91 2fxe s GLN 58 N 0.96 3.62 -0.16 3.54 0.74 0.50 -0.93 119.66 127.93 2fxe s GLN 58 Ca 0.04 -0.08 -0.06 0.00 0.05 0.00 0.00 55.36 55.32 2fxe s GLN 58 Cb -0.14 -3.82 -0.04 0.00 1.10 0.00 0.00 33.01 30.11 2fxe s GLN 58 CO 0.03 -0.72 0.03 0.71 -0.55 0.00 0.00 175.29 174.79 2fxe s TYR 59 N 2.58 3.20 0.18 1.67 1.51 -0.39 -1.40 117.35 124.70 2fxe s TYR 59 Ca 0.22 0.03 0.05 0.00 -1.01 0.00 0.00 57.07 56.35 2fxe s TYR 59 Cb -0.15 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 2fxe s TYR 59 CO 0.14 0.19 0.19 -0.51 -1.11 0.00 0.00 175.55 174.46 2fxe s ASP 60 N 0.08 5.72 -1.39 2.29 1.01 -1.26 -0.89 116.67 122.22 2fxe s ASP 60 Ca 0.04 -0.09 -0.10 0.00 0.71 0.00 0.00 52.55 53.11 2fxe s ASP 60 Cb -0.13 -1.55 0.03 0.00 1.01 0.00 0.00 42.92 42.29 2fxe s ASP 60 CO 0.01 0.04 1.12 0.00 0.21 0.00 0.00 175.17 176.55 2fxe n GLN 61 N -0.61 -7.26 -3.15 8.23 1.13 -1.15 -4.92 117.38 109.65 2fxe n GLN 61 Ca -0.08 0.77 -0.39 0.00 -1.94 0.00 0.00 57.00 55.36 2fxe n GLN 61 Cb 0.55 -5.78 -0.05 0.00 0.11 0.00 0.00 30.24 25.07 2fxe n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2fxe s ILE 62 N -3.32 5.09 -0.03 5.09 -1.09 0.42 -4.74 121.20 122.61 2fxe s ILE 62 Ca 0.56 1.21 -0.30 0.00 -2.23 0.00 0.00 60.65 59.89 2fxe s ILE 62 Cb -0.26 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 2fxe s ILE 62 CO 0.76 0.23 1.09 -0.63 -1.23 0.00 0.00 174.94 175.16 2fxe s ILE 63 N 1.07 4.51 -0.07 2.92 -1.09 -1.26 -1.73 121.20 125.54 2fxe s ILE 63 Ca 0.31 1.80 -0.03 0.00 -2.23 0.00 0.00 60.65 60.50 2fxe s ILE 63 Cb -0.16 -4.16 0.04 0.00 -1.58 0.00 0.00 42.46 36.60 2fxe s ILE 63 CO 0.13 0.07 0.15 -0.51 -1.23 0.00 0.00 174.94 173.56 2fxe s ILE 64 N 1.57 -0.05 -0.22 2.92 2.07 -0.41 -4.35 121.20 122.73 2fxe s ILE 64 Ca 0.54 0.18 -0.08 0.00 -1.41 0.00 0.00 60.65 59.88 2fxe s ILE 64 Cb -0.23 -0.25 -0.04 0.00 0.13 0.00 0.00 42.46 42.07 2fxe s ILE 64 CO 0.24 0.07 0.08 -0.70 -1.91 0.00 0.00 174.94 172.73 2fxe s GLU 65 N 1.19 3.84 -0.33 3.50 2.12 -0.48 -0.44 118.70 128.10 2fxe s GLU 65 Ca -0.09 -0.40 -0.04 0.00 0.36 0.00 0.00 54.97 54.81 2fxe s GLU 65 Cb -0.12 -3.32 0.05 0.00 0.26 0.00 0.00 34.13 31.01 2fxe s GLU 65 CO -0.06 0.03 0.06 0.42 -0.54 0.00 0.00 175.26 175.17 2fxe s ILE 66 N 1.06 3.34 -1.61 -3.70 1.01 0.74 -0.38 121.20 121.67 2fxe s ILE 66 Ca 0.05 -1.36 -0.15 0.00 0.00 0.00 0.00 60.65 59.19 2fxe s ILE 66 Cb -0.14 -2.95 0.12 0.00 0.01 0.00 0.00 42.46 39.50 2fxe s ILE 66 CO 0.03 -0.20 0.83 0.00 0.00 0.00 0.00 174.94 175.61 2fxe n ALA 67 N 4.70 -1.34 0.00 9.38 0.00 -0.45 -0.58 120.51 132.21 2fxe n ALA 67 Ca -0.12 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2fxe n ALA 67 Cb 0.44 -3.68 0.00 0.00 0.00 0.00 0.00 19.45 16.20 2fxe n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fxe n GLY 68 N -1.56 1.26 3.59 0.00 0.00 -1.26 -5.03 105.19 102.18 2fxe n GLY 68 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2fxe n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fxe s HIS 69 N -2.33 3.22 0.35 1.61 4.02 0.25 -5.07 115.29 117.36 2fxe s HIS 69 Ca 0.00 0.13 -0.27 0.00 1.02 0.00 0.00 55.06 55.95 2fxe s HIS 69 Cb 0.00 -2.42 -0.09 0.00 -1.02 0.00 0.00 32.58 29.05 2fxe s HIS 69 CO 0.00 -0.19 1.14 0.15 1.02 0.00 0.00 174.74 176.86 2fxe s LYS 70 N 1.80 4.30 0.18 1.40 1.02 -1.26 -0.18 119.74 127.00 2fxe s LYS 70 Ca 0.08 1.80 -0.11 0.00 0.02 0.00 0.00 55.97 57.76 2fxe s LYS 70 Cb -0.16 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 2fxe s LYS 70 CO 0.11 -0.09 0.36 0.00 -0.92 0.00 0.00 175.35 174.80 2fxe s ALA 71 N -1.35 -0.24 -0.15 5.17 0.00 0.41 -4.79 121.76 120.81 2fxe s ALA 71 Ca 0.52 -0.73 -0.07 0.00 0.00 0.00 0.00 51.96 51.68 2fxe s ALA 71 Cb -0.30 0.88 0.06 0.00 0.00 0.00 0.00 23.12 23.76 2fxe s ALA 71 CO 0.39 -0.71 0.35 -1.50 0.00 0.00 0.00 175.76 174.29 2fxe s ILE 72 N -3.95 -0.17 0.00 0.00 2.07 -1.26 -1.29 121.20 116.60 2fxe s ILE 72 Ca 0.16 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.54 2fxe s ILE 72 Cb 0.02 -0.53 0.00 0.00 0.13 0.00 0.00 42.46 42.07 2fxe s ILE 72 CO 0.00 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 2fxe n GLY 73 N 4.55 0.69 3.72 1.50 0.00 -0.70 -4.86 105.19 110.09 2fxe n GLY 73 Ca -0.20 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 2fxe n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fxe s THR 74 N -2.01 4.89 -0.07 2.61 2.01 -1.26 -0.44 115.64 121.37 2fxe s THR 74 Ca 0.00 1.76 0.04 0.00 0.31 0.00 0.00 61.69 63.79 2fxe s THR 74 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.33 2fxe s THR 74 CO 0.00 0.24 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.30 2fxe s VAL 75 N 0.67 1.54 -0.17 3.82 1.01 -0.07 -4.45 120.40 122.76 2fxe s VAL 75 Ca 0.44 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 2fxe s VAL 75 Cb -0.20 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2fxe s VAL 75 CO 0.24 0.44 0.13 -0.76 0.00 0.00 0.00 175.10 175.15 2fxe s LEU 76 N 0.33 4.24 -0.12 3.92 1.43 0.42 -1.27 118.68 127.63 2fxe s LEU 76 Ca -0.12 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 2fxe s LEU 76 Cb -0.15 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 2fxe s LEU 76 CO 0.05 0.27 -0.19 -0.69 0.23 0.00 0.00 176.35 176.01 2fxe s VAL 77 N -0.18 2.44 -0.03 -1.59 1.01 -0.11 0.03 120.40 121.98 2fxe s VAL 77 Ca 0.10 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 2fxe s VAL 77 Cb -0.11 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.33 2fxe s VAL 77 CO 0.00 0.54 0.66 0.61 0.00 0.00 0.00 175.10 176.92 2fxe n GLY 78 N 3.68 0.32 2.90 4.51 0.00 -0.95 -0.33 105.19 115.31 2fxe n GLY 78 Ca -0.19 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 2fxe n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2fxe n PRO 79 N -0.48 2.16 -3.57 1.61 -0.04 -1.26 -2.52 135.00 130.90 2fxe n PRO 79 Ca 0.03 -2.16 -0.35 0.00 -0.04 0.00 0.00 63.50 60.98 2fxe n PRO 79 Cb 0.29 -3.05 -0.06 0.00 -0.04 0.00 0.00 33.50 30.64 2fxe n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2fxe s THR 80 N 4.08 5.10 -0.11 0.52 -1.32 -1.26 -4.99 115.64 117.66 2fxe s THR 80 Ca 0.53 0.51 0.30 0.00 -1.21 0.00 0.00 61.69 61.82 2fxe s THR 80 Cb 0.14 -3.65 0.34 0.00 -1.51 0.00 0.00 72.50 67.83 2fxe s THR 80 CO 0.02 0.35 1.89 1.55 -2.21 0.00 0.00 174.62 176.22 2fxe h PRO 81 N 3.93 0.00 -3.04 7.08 0.13 -1.99 -3.44 132.00 134.67 2fxe h PRO 81 Ca -0.50 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.50 2fxe h PRO 81 Cb 1.20 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 2fxe h PRO 81 CO 0.65 0.00 -0.32 0.54 -0.23 0.00 0.00 178.00 178.64 2fxe s VAL 82 N -3.54 0.04 0.06 1.56 0.11 -1.26 -5.11 120.40 112.25 2fxe s VAL 82 Ca 0.02 -0.31 -0.30 0.00 -2.93 0.00 0.00 61.98 58.46 2fxe s VAL 82 Cb 0.09 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.35 2fxe s VAL 82 CO 0.50 -0.17 1.14 0.20 -3.33 0.00 0.00 175.10 173.44 2fxe s ASN 83 N -0.75 7.16 -0.14 3.54 0.01 -1.26 -4.70 114.94 118.80 2fxe s ASN 83 Ca -0.08 1.94 0.01 0.00 -0.71 0.00 0.00 52.86 54.02 2fxe s ASN 83 Cb -0.04 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2fxe s ASN 83 CO 0.03 -0.40 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.43 2fxe s ILE 84 N 0.93 1.60 -0.32 0.60 1.01 0.67 -0.11 121.20 125.58 2fxe s ILE 84 Ca 0.56 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 60.39 2fxe s ILE 84 Cb -0.28 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 2fxe s ILE 84 CO 0.29 0.46 0.36 -0.63 0.00 0.00 0.00 174.94 175.43 2fxe s ILE 85 N 1.28 5.17 0.40 2.92 -1.09 0.44 -1.01 121.20 129.31 2fxe s ILE 85 Ca 0.01 0.19 0.06 0.00 -2.23 0.00 0.00 60.65 58.68 2fxe s ILE 85 Cb -0.14 -3.78 0.07 0.00 -1.58 0.00 0.00 42.46 37.03 2fxe s ILE 85 CO -0.07 -0.02 0.55 0.61 -1.23 0.00 0.00 174.94 174.78 2fxe n GLY 86 N 4.89 1.91 0.25 6.18 0.00 -1.21 -1.06 105.19 116.16 2fxe n GLY 86 Ca -0.09 -2.19 0.08 0.00 0.00 0.00 0.00 46.02 43.82 2fxe n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2fxe h ARG 87 N 0.00 0.00 -0.22 1.61 3.08 -0.96 -0.40 114.38 117.49 2fxe h ARG 87 Ca -0.19 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.89 2fxe h ARG 87 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2fxe h ARG 87 CO 0.26 0.13 0.15 -2.95 -1.07 0.00 0.00 179.97 176.49 2fxe h ASN 88 N 0.00 0.14 0.00 7.04 -1.07 -1.80 -2.01 115.58 117.89 2fxe h ASN 88 Ca -0.00 -0.00 -0.32 0.00 0.07 0.00 0.00 56.30 56.04 2fxe h ASN 88 Cb 0.25 -0.03 -0.06 0.00 -2.07 0.00 0.00 38.32 36.41 2fxe h ASN 88 CO 0.02 0.10 -2.24 0.18 0.07 0.00 0.00 177.43 175.55 2fxe n LEU 89 N -4.50 0.00 0.01 6.14 4.77 -0.71 -4.35 117.00 118.37 2fxe n LEU 89 Ca 0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.01 2fxe n LEU 89 Cb 0.17 0.44 0.36 0.00 -2.33 0.00 0.00 43.42 42.06 2fxe n LEU 89 CO 0.35 0.44 1.03 -0.07 -1.33 0.00 0.00 177.39 177.80 2fxe h LEU 90 N 0.00 0.46 -1.06 2.23 3.38 -0.89 -1.34 115.31 118.09 2fxe h LEU 90 Ca -0.48 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.37 2fxe h LEU 90 Cb 2.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.70 2fxe h LEU 90 CO 0.03 0.45 -0.10 0.71 0.09 0.00 0.00 178.44 179.62 2fxe h THR 91 N 0.50 1.23 0.00 0.22 1.35 -1.58 -1.94 112.91 112.69 2fxe h THR 91 Ca 0.12 -1.01 -0.08 0.00 -0.55 0.00 0.00 66.41 64.90 2fxe h THR 91 Cb 0.16 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 2fxe h THR 91 CO -0.01 0.33 -0.37 1.56 -0.25 0.00 0.00 175.52 176.78 2fxe h GLN 92 N 0.51 0.00 -0.37 4.72 4.20 -1.44 -1.83 115.11 120.90 2fxe h GLN 92 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2fxe h GLN 92 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2fxe h GLN 92 CO 0.03 0.37 0.00 0.44 -0.67 0.00 0.00 178.83 179.00 2fxe n ILE 93 N -3.95 0.49 -1.96 2.54 -5.35 -1.09 -4.95 119.36 105.08 2fxe n ILE 93 Ca -0.02 -0.63 -0.03 0.00 -0.27 0.00 0.00 62.75 61.80 2fxe n ILE 93 Cb 0.42 0.62 -0.00 0.00 -1.74 0.00 0.00 39.64 38.95 2fxe n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fxe n GLY 94 N 1.36 0.28 3.77 3.28 0.00 -0.69 -5.00 105.19 108.19 2fxe n GLY 94 Ca 0.18 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 2fxe n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fxe s ALA 95 N -2.16 3.24 0.14 4.61 0.00 -0.76 -5.04 121.76 121.79 2fxe s ALA 95 Ca 0.00 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.64 2fxe s ALA 95 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 2fxe s ALA 95 CO 0.00 0.04 -0.07 0.95 0.00 0.00 0.00 175.76 176.68 2fxe s THR 96 N -1.46 0.95 -0.12 0.00 -4.23 -1.26 -4.76 115.64 104.76 2fxe s THR 96 Ca 0.49 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 58.90 2fxe s THR 96 Cb -0.23 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 2fxe s THR 96 CO 0.29 -0.75 0.18 -0.76 -0.54 0.00 0.00 174.62 173.04 2fxe s LEU 97 N -3.13 4.37 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.75 2fxe s LEU 97 Ca 0.16 0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2fxe s LEU 97 Cb 0.04 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 44.13 2fxe s LEU 97 CO -0.01 0.35 -0.02 0.20 0.23 0.00 0.00 176.35 177.10 2fxe s ASN 98 N -0.75 0.55 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.60 2fxe s ASN 98 Ca 0.15 -0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.38 2fxe s ASN 98 Cb -0.12 -0.23 0.00 0.00 -0.02 0.00 0.00 41.25 40.87 2fxe s ASN 98 CO 0.04 -0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.74