#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fxd s GLN 2 N 0.00 2.87 -0.27 0.54 0.74 -1.26 -5.09 119.66 117.19 2fxd s GLN 2 Ca 0.00 -0.99 -0.10 0.00 0.05 0.00 0.00 55.36 54.32 2fxd s GLN 2 Cb 0.00 -3.23 -0.05 0.00 1.10 0.00 0.00 33.01 30.83 2fxd s GLN 2 CO 0.00 -0.48 0.17 0.42 -0.55 0.00 0.00 175.29 174.85 2fxd s ILE 3 N 1.40 5.18 0.81 -2.34 1.01 -1.26 -5.08 121.20 120.92 2fxd s ILE 3 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 2fxd s ILE 3 Cb -0.18 -3.46 0.10 0.00 0.01 0.00 0.00 42.46 38.94 2fxd s ILE 3 CO -0.00 0.28 1.16 0.42 0.00 0.00 0.00 174.94 176.80 2fxd s THR 4 N 1.64 2.06 -0.16 2.92 -4.23 -1.26 -5.02 115.64 111.60 2fxd s THR 4 Ca 0.07 -0.08 0.15 0.00 -1.18 0.00 0.00 61.69 60.65 2fxd s THR 4 Cb -0.16 -2.99 0.29 0.00 1.34 0.00 0.00 72.50 70.99 2fxd s THR 4 CO 0.09 0.00 1.18 0.18 -0.54 0.00 0.00 174.62 175.53 2fxd n LEU 5 N -3.30 2.62 -0.34 4.79 4.77 -1.26 -4.59 117.00 119.69 2fxd n LEU 5 Ca 0.10 -2.85 0.06 0.00 -0.03 0.00 0.00 56.01 53.28 2fxd n LEU 5 Cb 0.61 -0.37 0.24 0.00 -2.33 0.00 0.00 43.42 41.56 2fxd n LEU 5 CO 0.53 0.67 1.25 -0.50 -1.33 0.00 0.00 177.39 178.01 2fxd h TRP 6 N 0.44 1.10 -1.27 -1.77 4.06 -2.05 -3.43 115.95 113.02 2fxd h TRP 6 Ca 0.00 0.03 -0.63 0.00 2.06 0.00 0.00 58.89 60.35 2fxd h TRP 6 Cb 0.99 -0.35 -0.13 0.00 -1.00 0.00 0.00 29.16 28.67 2fxd h TRP 6 CO 0.11 0.51 -0.55 0.15 -3.56 0.00 0.00 178.44 175.09 2fxd s LYS 7 N -5.93 2.04 0.23 0.49 1.02 -1.26 -5.11 119.74 111.21 2fxd s LYS 7 Ca -0.12 -2.23 -0.31 0.00 0.02 0.00 0.00 55.97 53.33 2fxd s LYS 7 Cb 0.21 -1.42 -0.11 0.00 -0.52 0.00 0.00 37.83 35.99 2fxd s LYS 7 CO 0.81 -0.25 1.65 1.03 -0.92 0.00 0.00 175.35 177.67 2fxd s ARG 8 N -3.80 4.15 -1.19 1.68 0.52 -1.26 -4.88 118.95 114.16 2fxd s ARG 8 Ca 0.21 2.54 -0.18 0.00 -0.52 0.00 0.00 55.73 57.78 2fxd s ARG 8 Cb 0.05 -3.08 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 2fxd s ARG 8 CO 0.11 -0.68 2.07 -0.35 0.02 0.00 0.00 175.30 176.46 2fxd n PRO 9 N 3.40 2.35 -3.63 3.54 -0.04 -1.26 -4.92 135.00 134.44 2fxd n PRO 9 Ca 0.13 -2.39 -0.36 0.00 -0.04 0.00 0.00 63.50 60.84 2fxd n PRO 9 Cb 0.37 -3.20 -0.08 0.00 -0.04 0.00 0.00 33.50 30.55 2fxd n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2fxd s ILE 10 N 4.31 5.35 0.37 0.52 1.01 -1.26 -1.06 121.20 130.43 2fxd s ILE 10 Ca 0.52 0.34 0.04 0.00 0.00 0.00 0.00 60.65 61.55 2fxd s ILE 10 Cb 0.13 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 2fxd s ILE 10 CO 0.01 0.38 0.08 0.68 0.00 0.00 0.00 174.94 176.09 2fxd s VAL 11 N 0.66 0.99 -0.14 2.92 -7.23 -0.41 -4.92 120.40 112.27 2fxd s VAL 11 Ca 0.11 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.14 2fxd s VAL 11 Cb -0.12 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 2fxd s VAL 11 CO 0.02 0.00 0.32 -0.89 -0.31 0.00 0.00 175.10 174.24 2fxd s THR 12 N -3.23 5.27 0.21 5.32 2.01 -1.26 -1.54 115.64 122.42 2fxd s THR 12 Ca 0.30 0.61 0.06 0.00 0.31 0.00 0.00 61.69 62.98 2fxd s THR 12 Cb 0.06 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 2fxd s THR 12 CO 0.14 0.41 -0.11 0.68 -0.69 0.00 0.00 174.62 175.06 2fxd s VAL 13 N 0.25 1.54 -0.24 3.82 -7.23 0.16 -4.55 120.40 114.15 2fxd s VAL 13 Ca 0.18 -2.15 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 2fxd s VAL 13 Cb -0.14 -2.10 -0.00 0.00 0.56 0.00 0.00 36.38 34.70 2fxd s VAL 13 CO 0.06 -0.55 -0.03 -0.75 -0.31 0.00 0.00 175.10 173.52 2fxd s LYS 14 N -3.70 3.26 -0.02 4.82 2.20 -0.29 -0.19 119.74 125.80 2fxd s LYS 14 Ca 0.23 -0.71 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 2fxd s LYS 14 Cb 0.01 -3.06 0.01 0.00 -1.51 0.00 0.00 37.83 33.28 2fxd s LYS 14 CO 0.07 -0.26 -0.05 -1.50 -0.36 0.00 0.00 175.35 173.24 2fxd s ILE 15 N 1.46 0.50 -0.05 5.43 2.07 -0.30 -0.78 121.20 129.53 2fxd s ILE 15 Ca 0.04 -0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 2fxd s ILE 15 Cb -0.15 -0.48 0.00 0.00 0.13 0.00 0.00 42.46 41.96 2fxd s ILE 15 CO -0.03 0.18 0.00 0.61 -1.91 0.00 0.00 174.94 173.80 2fxd n GLY 16 N 3.50 0.20 0.81 1.50 0.00 -1.26 -1.67 105.19 108.27 2fxd n GLY 16 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2fxd n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fxd n GLY 17 N -0.31 0.64 3.50 -0.02 0.00 -1.26 -5.06 105.19 102.68 2fxd n GLY 17 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2fxd n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2fxd s GLN 18 N -0.73 1.81 -0.04 1.61 -2.07 -0.67 -5.10 119.66 114.47 2fxd s GLN 18 Ca 0.00 -1.35 -0.24 0.00 -1.82 0.00 0.00 55.36 51.95 2fxd s GLN 18 Cb 0.00 -2.03 -0.04 0.00 -1.09 0.00 0.00 33.01 29.85 2fxd s GLN 18 CO 0.00 0.43 0.73 -0.51 -1.32 0.00 0.00 175.29 174.62 2fxd s LEU 19 N -2.65 4.34 0.08 2.60 1.43 -1.26 -1.15 118.68 122.07 2fxd s LEU 19 Ca 0.22 1.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.59 2fxd s LEU 19 Cb -0.09 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 2fxd s LEU 19 CO 0.12 -0.10 -0.05 -0.54 0.23 0.00 0.00 176.35 176.01 2fxd s LYS 20 N 0.65 0.73 -0.11 1.70 1.02 0.73 -4.95 119.74 119.50 2fxd s LYS 20 Ca 0.39 -1.24 -0.11 0.00 0.02 0.00 0.00 55.97 55.03 2fxd s LYS 20 Cb -0.18 -0.06 -0.05 0.00 -0.52 0.00 0.00 37.83 37.02 2fxd s LYS 20 CO 0.20 -0.04 0.24 -1.21 -0.92 0.00 0.00 175.35 173.61 2fxd s GLU 21 N -3.65 3.84 -0.04 1.68 0.41 -1.26 0.36 118.70 120.04 2fxd s GLU 21 Ca 0.08 0.04 -0.12 0.00 -0.41 0.00 0.00 54.97 54.57 2fxd s GLU 21 Cb 0.05 -3.28 0.02 0.00 -1.78 0.00 0.00 34.13 29.14 2fxd s GLU 21 CO -0.06 0.57 0.26 0.00 -0.49 0.00 0.00 175.26 175.55 2fxd s ALA 22 N -0.52 -0.66 -0.12 5.21 0.00 -0.59 -4.17 121.76 120.91 2fxd s ALA 22 Ca 0.17 0.37 -0.20 0.00 0.00 0.00 0.00 51.96 52.29 2fxd s ALA 22 Cb -0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2fxd s ALA 22 CO 0.05 -0.21 0.58 -1.17 0.00 0.00 0.00 175.76 175.01 2fxd s LEU 23 N -0.90 4.26 -0.62 0.00 0.20 0.28 -1.29 118.68 120.62 2fxd s LEU 23 Ca -0.10 0.93 -0.26 0.00 0.69 0.00 0.00 54.13 55.39 2fxd s LEU 23 Cb -0.05 -2.85 0.04 0.00 -0.43 0.00 0.00 46.19 42.90 2fxd s LEU 23 CO 0.02 -0.09 1.13 -0.76 -0.29 0.00 0.00 176.35 176.37 2fxd s LEU 24 N 0.95 3.62 -0.36 -0.68 1.43 -0.23 -0.93 118.68 122.49 2fxd s LEU 24 Ca 0.30 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.13 2fxd s LEU 24 Cb -0.16 -2.87 0.08 0.00 0.03 0.00 0.00 46.19 43.27 2fxd s LEU 24 CO 0.13 -1.51 0.11 -0.62 0.23 0.00 0.00 176.35 174.69 2fxd s ASP 25 N 3.19 5.14 0.21 2.29 2.15 -0.26 -4.83 116.67 124.56 2fxd s ASP 25 Ca 0.36 -1.59 0.22 0.00 0.43 0.00 0.00 52.55 51.97 2fxd s ASP 25 Cb -0.10 -1.80 0.92 0.00 -0.30 0.00 0.00 42.92 41.64 2fxd s ASP 25 CO 0.20 -0.40 1.67 0.35 -0.17 0.00 0.00 175.17 176.82 2fxd n THR 26 N 4.65 0.85 0.08 1.71 -2.24 -1.26 -1.89 114.28 116.18 2fxd n THR 26 Ca -0.08 0.22 0.08 0.00 -2.27 0.00 0.00 64.05 62.00 2fxd n THR 26 Cb 0.43 -1.12 0.26 0.00 -2.10 0.00 0.00 70.33 67.80 2fxd n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fxd n GLY 27 N 0.03 1.83 3.32 3.38 0.00 -1.26 -4.85 105.19 107.64 2fxd n GLY 27 Ca 0.02 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 2fxd n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fxd s ALA 28 N -1.47 2.76 0.21 4.61 0.00 -0.79 -4.98 121.76 122.11 2fxd s ALA 28 Ca 0.38 -1.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.17 2fxd s ALA 28 Cb 0.22 -1.58 0.18 0.00 0.00 0.00 0.00 23.12 21.93 2fxd s ALA 28 CO 0.23 -0.28 1.71 -0.44 0.00 0.00 0.00 175.76 176.97 2fxd h ASP 29 N 7.79 0.97 -2.04 0.00 5.19 -1.88 0.17 116.42 126.62 2fxd h ASP 29 Ca -0.39 -0.24 -0.60 0.00 -0.62 0.00 0.00 57.03 55.18 2fxd h ASP 29 Cb 1.17 -0.26 -0.13 0.00 0.18 0.00 0.00 39.33 40.30 2fxd h ASP 29 CO 0.60 0.99 -0.69 -1.81 -3.12 0.00 0.00 179.24 175.22 2fxd s ASP 30 N -6.56 3.88 -0.23 6.45 1.01 -1.26 -3.00 116.67 116.94 2fxd s ASP 30 Ca -0.11 -1.04 -0.11 0.00 0.71 0.00 0.00 52.55 51.99 2fxd s ASP 30 Cb 0.14 -0.43 -0.05 0.00 1.01 0.00 0.00 42.92 43.60 2fxd s ASP 30 CO 0.84 -0.12 0.19 -0.89 0.21 0.00 0.00 175.17 175.40 2fxd s THR 31 N -2.53 5.34 -0.11 -1.27 2.01 -1.26 -3.21 115.64 114.60 2fxd s THR 31 Ca 0.32 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.59 2fxd s THR 31 Cb -0.01 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 68.98 2fxd s THR 31 CO 0.17 0.33 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.61 2fxd s VAL 32 N 1.09 1.39 0.08 3.82 1.01 -0.30 -0.28 120.40 127.20 2fxd s VAL 32 Ca 0.09 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.60 2fxd s VAL 32 Cb -0.14 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 2fxd s VAL 32 CO 0.05 0.42 -0.25 0.27 0.00 0.00 0.00 175.10 175.59 2fxd s ILE 33 N 1.13 2.06 0.86 2.22 -4.36 0.63 -0.28 121.20 123.46 2fxd s ILE 33 Ca -0.04 -1.52 -0.11 0.00 -0.26 0.00 0.00 60.65 58.72 2fxd s ILE 33 Cb -0.14 -1.80 0.11 0.00 1.25 0.00 0.00 42.46 41.88 2fxd s ILE 33 CO -0.03 0.19 1.16 -1.83 0.24 0.00 0.00 174.94 174.67 2fxd s GLU 34 N -1.61 1.38 0.09 0.37 -1.05 -1.07 -1.21 118.70 115.59 2fxd s GLU 34 Ca 0.11 1.57 -0.36 0.00 -0.15 0.00 0.00 54.97 56.14 2fxd s GLU 34 Cb -0.10 -1.77 -0.17 0.00 -0.44 0.00 0.00 34.13 31.66 2fxd s GLU 34 CO 0.04 -2.37 1.23 -1.91 0.95 0.00 0.00 175.26 173.20 2fxd n GLU 35 N -3.83 0.90 -3.56 -4.83 4.07 -0.61 -4.64 120.64 108.14 2fxd n GLU 35 Ca 0.12 0.32 -0.07 0.00 -0.06 0.00 0.00 57.16 57.47 2fxd n GLU 35 Cb 0.52 -1.89 -0.03 0.00 -0.06 0.00 0.00 31.44 29.98 2fxd n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2fxd s MET 36 N 0.17 0.54 0.00 5.31 0.23 -1.26 -5.05 119.30 119.23 2fxd s MET 36 Ca 0.83 -0.12 -0.28 0.00 -1.03 0.00 0.00 55.69 55.08 2fxd s MET 36 Cb -0.99 0.25 -0.04 0.00 -1.53 0.00 0.00 34.83 32.52 2fxd s MET 36 CO 0.50 -0.22 0.91 -0.80 -2.03 0.00 0.00 175.02 173.38 2fxd s ASN 37 N -2.00 7.29 0.25 -1.18 0.01 -1.26 -5.03 114.94 113.02 2fxd s ASN 37 Ca 0.05 1.56 0.10 0.00 -0.71 0.00 0.00 52.86 53.87 2fxd s ASN 37 Cb -0.01 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 39.07 2fxd s ASN 37 CO -0.05 -0.19 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.40 2fxd s LEU 38 N 0.80 2.57 0.32 0.60 1.43 -1.26 -5.07 118.68 118.07 2fxd s LEU 38 Ca 0.48 -1.01 -0.28 0.00 -1.03 0.00 0.00 54.13 52.28 2fxd s LEU 38 Cb -0.21 -0.95 -0.10 0.00 0.03 0.00 0.00 46.19 44.96 2fxd s LEU 38 CO 0.26 -0.03 1.18 -2.16 0.23 0.00 0.00 176.35 175.83 2fxd s PRO 39 N -3.49 4.44 0.00 1.29 0.04 -1.26 -4.95 135.00 131.07 2fxd s PRO 39 Ca 0.27 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2fxd s PRO 39 Cb -0.04 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.45 2fxd s PRO 39 CO 0.12 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.56 2fxd n GLY 40 N 0.95 -2.25 3.87 0.56 0.00 -1.26 -4.92 105.19 102.14 2fxd n GLY 40 Ca 0.00 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 2fxd n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fxd s LYS 41 N -0.28 3.79 0.12 1.61 -2.85 -1.26 -5.10 119.74 115.77 2fxd s LYS 41 Ca 0.00 0.61 0.01 0.00 -1.00 0.00 0.00 55.97 55.59 2fxd s LYS 41 Cb 0.00 -2.29 -0.04 0.00 -2.06 0.00 0.00 37.83 33.44 2fxd s LYS 41 CO 0.00 -0.17 -0.02 1.67 0.10 0.00 0.00 175.35 176.94 2fxd s TRP 42 N -2.55 0.95 0.09 1.78 1.48 -1.26 -4.48 118.94 114.94 2fxd s TRP 42 Ca 0.53 -1.03 0.06 0.00 -1.06 0.00 0.00 56.10 54.61 2fxd s TRP 42 Cb -0.10 -0.55 -0.03 0.00 -1.16 0.00 0.00 33.47 31.62 2fxd s TRP 42 CO 0.35 -0.26 -0.16 -1.59 -4.06 0.00 0.00 176.95 171.23 2fxd s LYS 43 N -3.91 0.94 0.43 3.25 -2.85 -0.74 -4.91 119.74 111.96 2fxd s LYS 43 Ca 0.17 -1.08 -0.24 0.00 -1.00 0.00 0.00 55.97 53.83 2fxd s LYS 43 Cb 0.06 -0.97 -0.08 0.00 -2.06 0.00 0.00 37.83 34.78 2fxd s LYS 43 CO -0.01 0.21 1.20 -1.25 0.10 0.00 0.00 175.35 175.60 2fxd s PRO 44 N -2.03 3.88 0.02 1.78 0.04 -1.26 -0.13 135.00 137.30 2fxd s PRO 44 Ca 0.03 1.88 -0.00 0.00 0.04 0.00 0.00 61.00 62.95 2fxd s PRO 44 Cb -0.09 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 2fxd s PRO 44 CO 0.03 -0.48 -0.03 0.21 0.04 0.00 0.00 177.00 176.77 2fxd s LYS 45 N -2.47 0.30 -0.15 4.56 2.20 -0.55 -4.82 119.74 118.82 2fxd s LYS 45 Ca 0.60 -0.58 -0.02 0.00 -0.36 0.00 0.00 55.97 55.61 2fxd s LYS 45 Cb -0.31 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.10 2fxd s LYS 45 CO 0.39 -0.05 -0.09 0.42 -0.36 0.00 0.00 175.35 175.66 2fxd s ILE 46 N -1.41 3.37 0.10 5.43 1.01 -1.26 -0.80 121.20 127.64 2fxd s ILE 46 Ca -0.15 -0.54 0.08 0.00 0.00 0.00 0.00 60.65 60.04 2fxd s ILE 46 Cb -0.10 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 2fxd s ILE 46 CO -0.01 0.50 -0.22 0.27 0.00 0.00 0.00 174.94 175.49 2fxd s ILE 47 N 0.51 1.77 -0.03 2.92 -4.36 -0.65 -4.97 121.20 116.39 2fxd s ILE 47 Ca -0.06 -1.56 0.07 0.00 -0.26 0.00 0.00 60.65 58.83 2fxd s ILE 47 Cb -0.15 -1.60 -0.02 0.00 1.25 0.00 0.00 42.46 41.93 2fxd s ILE 47 CO 0.04 -0.04 -0.22 -0.83 0.24 0.00 0.00 174.94 174.13 2fxd s GLY 48 N -1.90 1.36 0.00 6.27 0.00 -1.26 -1.03 107.32 110.76 2fxd s GLY 48 Ca 0.07 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2fxd s GLY 48 CO 0.04 -0.88 0.00 0.61 0.00 0.00 0.00 173.10 172.87 2fxd n GLY 49 N 2.37 6.01 0.26 0.20 0.00 0.07 -4.99 105.19 109.12 2fxd n GLY 49 Ca -0.16 -1.71 0.02 0.00 0.00 0.00 0.00 46.02 44.16 2fxd n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2fxd h ILE 50 N 0.00 1.17 -0.26 -0.61 6.09 -2.02 -3.00 117.51 118.87 2fxd h ILE 50 Ca 0.00 -0.67 0.00 0.00 -1.37 0.00 0.00 64.86 62.82 2fxd h ILE 50 Cb 0.00 0.99 0.00 0.00 0.47 0.00 0.00 36.82 38.28 2fxd h ILE 50 CO 0.00 0.23 0.00 0.61 -3.07 0.00 0.00 178.15 175.92 2fxd n GLY 51 N -0.98 1.38 0.00 8.18 0.00 -1.26 -5.08 105.19 107.43 2fxd n GLY 51 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2fxd n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fxd n GLY 52 N 1.15 0.62 3.61 -0.02 0.00 -1.14 -5.10 105.19 104.31 2fxd n GLY 52 Ca 0.15 -2.06 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 2fxd n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fxd s PHE 53 N -1.20 2.85 0.17 1.61 0.40 -1.26 -0.75 117.98 119.79 2fxd s PHE 53 Ca 0.00 -0.08 0.06 0.00 -0.60 0.00 0.00 56.93 56.30 2fxd s PHE 53 Cb 0.00 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 2fxd s PHE 53 CO 0.00 0.41 -0.12 0.96 0.70 0.00 0.00 175.22 177.17 2fxd s ILE 54 N -1.14 1.41 -0.08 0.64 -4.36 -0.20 -4.98 121.20 112.49 2fxd s ILE 54 Ca 0.20 -2.09 -0.12 0.00 -0.26 0.00 0.00 60.65 58.39 2fxd s ILE 54 Cb -0.11 -1.89 -0.05 0.00 1.25 0.00 0.00 42.46 41.66 2fxd s ILE 54 CO 0.12 -0.65 0.28 -0.54 0.24 0.00 0.00 174.94 174.39 2fxd s LYS 55 N -3.59 3.84 0.22 0.37 3.01 -1.26 -1.64 119.74 120.68 2fxd s LYS 55 Ca 0.18 0.14 0.00 0.00 -1.01 0.00 0.00 55.97 55.28 2fxd s LYS 55 Cb 0.00 -3.26 -0.05 0.00 -1.01 0.00 0.00 37.83 33.51 2fxd s LYS 55 CO 0.03 0.60 0.09 0.14 0.51 0.00 0.00 175.35 176.73 2fxd s VAL 56 N -0.65 0.35 -0.20 3.17 -7.23 0.02 -4.70 120.40 111.14 2fxd s VAL 56 Ca 0.19 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.29 2fxd s VAL 56 Cb -0.14 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2fxd s VAL 56 CO 0.08 -0.10 0.09 -0.13 -0.31 0.00 0.00 175.10 174.72 2fxd s ARG 57 N -4.06 3.97 -0.34 4.82 0.52 -0.31 -1.48 118.95 122.07 2fxd s ARG 57 Ca 0.35 -0.34 -0.14 0.00 -0.52 0.00 0.00 55.73 55.08 2fxd s ARG 57 Cb 0.07 -3.31 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 2fxd s ARG 57 CO 0.11 0.17 0.31 -1.14 0.02 0.00 0.00 175.30 174.76 2fxd s GLN 58 N 0.69 3.51 -0.07 3.54 0.74 0.82 -0.41 119.66 128.48 2fxd s GLN 58 Ca 0.05 -0.54 -0.03 0.00 0.05 0.00 0.00 55.36 54.89 2fxd s GLN 58 Cb -0.13 -3.81 -0.04 0.00 1.10 0.00 0.00 33.01 30.13 2fxd s GLN 58 CO 0.02 -0.50 0.06 0.71 -0.55 0.00 0.00 175.29 175.02 2fxd s TYR 59 N 1.88 3.30 0.21 1.67 1.51 -0.36 -1.78 117.35 123.77 2fxd s TYR 59 Ca 0.09 0.28 0.07 0.00 -1.01 0.00 0.00 57.07 56.49 2fxd s TYR 59 Cb -0.17 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 2fxd s TYR 59 CO 0.11 0.56 0.10 -0.51 -1.11 0.00 0.00 175.55 174.70 2fxd s ASP 60 N -1.16 5.19 -1.47 2.29 1.01 -1.26 -0.85 116.67 120.42 2fxd s ASP 60 Ca 0.16 -0.31 -0.12 0.00 0.71 0.00 0.00 52.55 52.99 2fxd s ASP 60 Cb -0.12 -1.24 0.06 0.00 1.01 0.00 0.00 42.92 42.64 2fxd s ASP 60 CO 0.06 0.03 1.06 0.00 0.21 0.00 0.00 175.17 176.53 2fxd n GLN 61 N -0.66 -6.42 -3.37 8.23 1.13 -1.16 -4.91 117.38 110.23 2fxd n GLN 61 Ca -0.08 0.68 -0.38 0.00 -1.94 0.00 0.00 57.00 55.28 2fxd n GLN 61 Cb 0.57 -5.63 -0.06 0.00 0.11 0.00 0.00 30.24 25.22 2fxd n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2fxd s ILE 62 N -3.31 5.12 -0.19 5.09 -1.09 -0.32 -4.71 121.20 121.79 2fxd s ILE 62 Ca 0.64 0.92 -0.17 0.00 -2.23 0.00 0.00 60.65 59.80 2fxd s ILE 62 Cb -0.31 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 2fxd s ILE 62 CO 0.79 0.41 0.44 -0.63 -1.23 0.00 0.00 174.94 174.72 2fxd s ILE 63 N 0.05 5.17 -0.16 2.92 1.01 -1.26 -1.74 121.20 127.20 2fxd s ILE 63 Ca 0.25 0.79 0.01 0.00 0.00 0.00 0.00 60.65 61.70 2fxd s ILE 63 Cb -0.16 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.57 2fxd s ILE 63 CO 0.11 0.24 -0.18 -0.63 0.00 0.00 0.00 174.94 174.48 2fxd s ILE 64 N 1.35 1.84 -0.08 2.92 1.01 -0.49 -4.42 121.20 123.32 2fxd s ILE 64 Ca 0.21 -0.81 -0.22 0.00 0.00 0.00 0.00 60.65 59.83 2fxd s ILE 64 Cb -0.15 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 2fxd s ILE 64 CO 0.09 0.50 0.64 -0.70 0.00 0.00 0.00 174.94 175.47 2fxd s GLU 65 N 1.29 4.41 -0.15 2.79 2.12 0.04 -2.17 118.70 127.02 2fxd s GLU 65 Ca 0.03 0.77 -0.01 0.00 0.36 0.00 0.00 54.97 56.12 2fxd s GLU 65 Cb -0.13 -3.45 0.04 0.00 0.26 0.00 0.00 34.13 30.85 2fxd s GLU 65 CO -0.10 0.08 -0.02 0.42 -0.54 0.00 0.00 175.26 175.10 2fxd s ILE 66 N 0.77 0.83 -1.23 -3.70 -1.09 0.72 -1.14 121.20 116.35 2fxd s ILE 66 Ca 0.35 -0.43 -0.05 0.00 -2.23 0.00 0.00 60.65 58.28 2fxd s ILE 66 Cb -0.17 -1.06 0.04 0.00 -1.58 0.00 0.00 42.46 39.69 2fxd s ILE 66 CO 0.16 0.10 0.32 0.00 -1.23 0.00 0.00 174.94 174.29 2fxd n ALA 67 N 4.97 -0.94 -0.32 9.38 0.00 -1.26 -0.07 120.51 132.26 2fxd n ALA 67 Ca -0.10 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2fxd n ALA 67 Cb 0.48 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2fxd n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fxd n GLY 68 N -1.08 1.01 3.68 0.00 0.00 -1.26 -5.03 105.19 102.50 2fxd n GLY 68 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 2fxd n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fxd s HIS 69 N -2.82 3.37 -0.56 1.61 3.76 0.90 -5.05 115.29 116.50 2fxd s HIS 69 Ca 0.00 0.50 -0.23 0.00 -0.15 0.00 0.00 55.06 55.18 2fxd s HIS 69 Cb 0.00 -2.42 0.05 0.00 1.11 0.00 0.00 32.58 31.32 2fxd s HIS 69 CO 0.00 0.06 0.92 0.15 -0.85 0.00 0.00 174.74 175.02 2fxd s LYS 70 N 1.08 3.28 0.11 1.40 1.02 -1.26 -0.20 119.74 125.16 2fxd s LYS 70 Ca 0.15 -0.40 -0.15 0.00 0.02 0.00 0.00 55.97 55.60 2fxd s LYS 70 Cb -0.14 -4.08 -0.07 0.00 -0.52 0.00 0.00 37.83 33.02 2fxd s LYS 70 CO 0.06 -1.52 0.51 0.00 -0.92 0.00 0.00 175.35 173.49 2fxd s ALA 71 N 3.87 3.62 -0.03 5.17 0.00 -0.92 -4.99 121.76 128.47 2fxd s ALA 71 Ca 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2fxd s ALA 71 Cb -0.14 -2.49 0.03 0.00 0.00 0.00 0.00 23.12 20.52 2fxd s ALA 71 CO 0.17 0.46 0.01 0.42 0.00 0.00 0.00 175.76 176.83 2fxd s ILE 72 N -1.35 0.12 -2.33 0.00 1.01 -1.26 -1.39 121.20 116.00 2fxd s ILE 72 Ca 0.34 0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.11 2fxd s ILE 72 Cb -0.16 -0.24 0.00 0.00 0.01 0.00 0.00 42.46 42.08 2fxd s ILE 72 CO 0.18 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2fxd n GLY 73 N 4.22 -0.60 3.71 6.18 0.00 -0.71 -4.88 105.19 113.12 2fxd n GLY 73 Ca -0.25 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 2fxd n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fxd s THR 74 N -3.00 3.89 -0.08 2.61 2.01 -1.26 -1.17 115.64 118.64 2fxd s THR 74 Ca 0.00 1.35 0.04 0.00 0.31 0.00 0.00 61.69 63.39 2fxd s THR 74 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2fxd s THR 74 CO 0.00 0.10 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.14 2fxd s VAL 75 N 1.09 1.71 -0.18 3.82 1.01 -0.03 -4.49 120.40 123.32 2fxd s VAL 75 Ca 0.60 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 2fxd s VAL 75 Cb -0.31 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2fxd s VAL 75 CO 0.29 0.48 0.12 -0.76 0.00 0.00 0.00 175.10 175.23 2fxd s LEU 76 N 0.30 4.16 -0.23 3.92 1.43 0.61 -1.22 118.68 127.65 2fxd s LEU 76 Ca -0.13 0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 53.15 2fxd s LEU 76 Cb -0.16 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 2fxd s LEU 76 CO 0.06 0.23 0.05 -0.69 0.23 0.00 0.00 176.35 176.23 2fxd s VAL 77 N 0.03 4.23 0.34 -1.59 1.01 0.46 -0.27 120.40 124.61 2fxd s VAL 77 Ca 0.09 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.93 2fxd s VAL 77 Cb -0.11 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 2fxd s VAL 77 CO -0.00 0.37 0.30 -0.83 0.00 0.00 0.00 175.10 174.94 2fxd s GLY 78 N 1.36 2.35 -0.01 4.51 0.00 -0.35 -1.16 107.32 114.02 2fxd s GLY 78 Ca 0.05 -2.07 0.01 0.00 0.00 0.00 0.00 44.72 42.71 2fxd s GLY 78 CO 0.03 -1.45 0.67 -1.55 0.00 0.00 0.00 173.10 170.80 2fxd n PRO 79 N -0.64 1.22 -2.55 2.90 -0.04 -1.26 -1.57 135.00 133.05 2fxd n PRO 79 Ca 0.07 -0.19 -0.35 0.00 -0.04 0.00 0.00 63.50 63.00 2fxd n PRO 79 Cb 0.62 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 2fxd n PRO 79 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2fxd s THR 80 N -1.27 3.79 -2.00 0.52 -4.23 -1.26 -4.91 115.64 106.27 2fxd s THR 80 Ca 0.03 1.18 0.12 0.00 -1.18 0.00 0.00 61.69 61.85 2fxd s THR 80 Cb 0.02 -3.52 0.34 0.00 1.34 0.00 0.00 72.50 70.69 2fxd s THR 80 CO 0.01 -0.17 1.46 -0.81 -0.54 0.00 0.00 174.62 174.57 2fxd n PRO 81 N -0.69 1.00 -3.47 3.99 -0.04 -1.26 -4.17 135.00 130.35 2fxd n PRO 81 Ca 0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 2fxd n PRO 81 Cb 0.52 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 2fxd n PRO 81 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2fxd n PHE 82 N -0.69 -1.20 -5.18 0.54 1.16 -1.26 -5.00 117.46 105.83 2fxd n PHE 82 Ca 0.09 -1.86 -0.32 0.00 -1.87 0.00 0.00 57.45 53.49 2fxd n PHE 82 Cb 0.04 0.42 -0.17 0.00 -1.61 0.00 0.00 39.48 38.16 2fxd n PHE 82 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 2fxd s ASN 83 N -2.70 3.17 -0.16 5.98 0.01 -1.26 -2.60 114.94 117.37 2fxd s ASN 83 Ca 0.23 -0.54 -0.00 0.00 -0.71 0.00 0.00 52.86 51.84 2fxd s ASN 83 Cb -0.01 -1.41 -0.00 0.00 0.41 0.00 0.00 41.25 40.25 2fxd s ASN 83 CO 0.17 0.16 -0.14 -0.69 -1.51 0.00 0.00 177.10 175.09 2fxd s VAL 84 N 0.32 2.69 -0.26 1.60 1.01 0.62 -0.55 120.40 125.83 2fxd s VAL 84 Ca -0.18 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 60.89 2fxd s VAL 84 Cb -0.18 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2fxd s VAL 84 CO 0.09 0.51 0.43 -0.63 0.00 0.00 0.00 175.10 175.49 2fxd s ILE 85 N 0.93 5.14 0.31 2.22 -1.09 -0.10 -1.15 121.20 127.46 2fxd s ILE 85 Ca -0.03 0.70 0.04 0.00 -2.23 0.00 0.00 60.65 59.13 2fxd s ILE 85 Cb -0.15 -3.75 0.06 0.00 -1.58 0.00 0.00 42.46 37.04 2fxd s ILE 85 CO -0.02 0.15 0.43 0.61 -1.23 0.00 0.00 174.94 174.88 2fxd n GLY 86 N 4.47 1.64 0.22 6.18 0.00 -1.20 -1.10 105.19 115.40 2fxd n GLY 86 Ca -0.07 -2.13 0.04 0.00 0.00 0.00 0.00 46.02 43.86 2fxd n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2fxd h ARG 87 N 0.00 0.05 -0.09 1.61 3.08 -1.01 -2.39 114.38 115.63 2fxd h ARG 87 Ca -0.15 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.92 2fxd h ARG 87 Cb 0.63 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 2fxd h ARG 87 CO 0.19 0.25 0.07 -2.95 -1.07 0.00 0.00 179.97 176.47 2fxd h ASN 88 N 0.05 0.00 0.00 7.04 -1.07 -1.79 -0.99 115.58 118.82 2fxd h ASN 88 Ca 0.01 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 56.04 2fxd h ASN 88 Cb 0.38 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.57 2fxd h ASN 88 CO 0.03 0.00 -2.28 0.18 0.07 0.00 0.00 177.43 175.43 2fxd n LEU 89 N -4.36 0.38 0.18 6.14 4.77 -1.08 -4.47 117.00 118.56 2fxd n LEU 89 Ca -0.01 -0.02 0.03 0.00 -0.03 0.00 0.00 56.01 55.99 2fxd n LEU 89 Cb 0.18 0.29 0.40 0.00 -2.33 0.00 0.00 43.42 41.96 2fxd n LEU 89 CO 0.33 0.51 0.80 0.24 -1.33 0.00 0.00 177.39 177.94 2fxd h MET 90 N 0.00 0.06 -0.20 3.23 2.86 -0.92 -1.78 114.93 118.18 2fxd h MET 90 Ca -0.50 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.10 2fxd h MET 90 Cb 2.10 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.74 2fxd h MET 90 CO 0.01 0.33 0.03 1.79 1.06 0.00 0.00 176.91 180.14 2fxd h THR 91 N 0.05 1.11 0.00 2.22 1.35 -1.42 -2.33 112.91 113.89 2fxd h THR 91 Ca 0.01 -0.40 -0.06 0.00 -0.55 0.00 0.00 66.41 65.40 2fxd h THR 91 Cb 0.52 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 2fxd h THR 91 CO 0.04 0.14 -0.29 1.56 -0.25 0.00 0.00 175.52 176.72 2fxd h GLN 92 N 0.28 0.00 -0.02 4.72 4.20 -1.55 -2.93 115.11 119.81 2fxd h GLN 92 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2fxd h GLN 92 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2fxd h GLN 92 CO -0.00 0.29 -0.10 0.44 -0.67 0.00 0.00 178.83 178.79 2fxd n ILE 93 N -3.33 0.00 -0.71 2.54 -5.35 -1.05 -4.93 119.36 106.52 2fxd n ILE 93 Ca 0.01 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 2fxd n ILE 93 Cb 0.52 1.28 0.00 0.00 -1.74 0.00 0.00 39.64 39.70 2fxd n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fxd n GLY 94 N 1.34 0.58 3.74 3.28 0.00 -1.08 -5.03 105.19 108.02 2fxd n GLY 94 Ca 0.14 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 2fxd n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fxd s ALA 95 N -2.00 3.56 0.11 4.61 0.00 -0.90 -5.04 121.76 122.10 2fxd s ALA 95 Ca 0.00 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.18 2fxd s ALA 95 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2fxd s ALA 95 CO 0.00 -0.61 -0.10 0.95 0.00 0.00 0.00 175.76 176.00 2fxd s THR 96 N 0.12 1.02 -0.09 0.00 -4.23 -1.26 -4.77 115.64 106.44 2fxd s THR 96 Ca 0.58 -1.76 -0.14 0.00 -1.18 0.00 0.00 61.69 59.19 2fxd s THR 96 Cb -0.38 -1.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.91 2fxd s THR 96 CO 0.39 -0.60 0.36 -0.76 -0.54 0.00 0.00 174.62 173.47 2fxd s LEU 97 N -2.63 4.35 -0.05 4.79 1.43 -1.26 -5.09 118.68 120.22 2fxd s LEU 97 Ca 0.09 0.73 0.02 0.00 -1.03 0.00 0.00 54.13 53.94 2fxd s LEU 97 Cb -0.02 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.73 2fxd s LEU 97 CO 0.00 0.19 -0.08 0.20 0.23 0.00 0.00 176.35 176.89 2fxd s ASN 98 N -0.19 1.28 0.00 2.29 -0.87 -1.26 -5.29 114.94 110.89 2fxd s ASN 98 Ca 0.21 -0.20 0.00 0.00 -1.57 0.00 0.00 52.86 51.30 2fxd s ASN 98 Cb -0.15 -0.54 0.00 0.00 -0.02 0.00 0.00 41.25 40.55 2fxd s ASN 98 CO 0.09 0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.85