#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fx5 s GLN 2 N 0.00 3.16 -0.25 0.54 0.74 -1.26 -5.10 119.66 117.50 3fx5 s GLN 2 Ca 0.00 -0.77 -0.06 0.00 0.05 0.00 0.00 55.36 54.58 3fx5 s GLN 2 Cb 0.00 -3.09 -0.01 0.00 1.10 0.00 0.00 33.01 31.01 3fx5 s GLN 2 CO 0.00 -0.31 0.03 0.42 -0.55 0.00 0.00 175.29 174.88 3fx5 s ILE 3 N 1.44 3.90 0.80 -2.34 1.01 -1.26 -5.09 121.20 119.66 3fx5 s ILE 3 Ca 0.03 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 3fx5 s ILE 3 Cb -0.16 -2.85 0.07 0.00 0.01 0.00 0.00 42.46 39.53 3fx5 s ILE 3 CO -0.02 0.31 1.16 0.42 0.00 0.00 0.00 174.94 176.81 3fx5 s THR 4 N 1.54 2.25 -0.26 2.92 -4.23 -1.26 -5.00 115.64 111.60 3fx5 s THR 4 Ca 0.05 0.08 0.14 0.00 -1.18 0.00 0.00 61.69 60.79 3fx5 s THR 4 Cb -0.15 -3.07 0.36 0.00 1.34 0.00 0.00 72.50 70.98 3fx5 s THR 4 CO 0.01 -0.11 1.26 0.18 -0.54 0.00 0.00 174.62 175.43 3fx5 n LEU 5 N -3.29 3.04 0.24 4.79 4.77 -1.26 -4.52 117.00 120.77 3fx5 n LEU 5 Ca 0.08 -2.75 0.07 0.00 -0.03 0.00 0.00 56.01 53.37 3fx5 n LEU 5 Cb 0.60 -0.39 0.57 0.00 -2.33 0.00 0.00 43.42 41.87 3fx5 n LEU 5 CO 0.57 0.67 0.96 -0.50 -1.33 0.00 0.00 177.39 177.77 3fx5 h TRP 6 N 1.08 0.00 -2.74 -1.77 4.06 -2.06 -3.44 115.95 111.09 3fx5 h TRP 6 Ca 0.00 0.00 -0.49 0.00 2.06 0.00 0.00 58.89 60.46 3fx5 h TRP 6 Cb 1.08 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.10 3fx5 h TRP 6 CO 0.25 0.12 -0.61 0.15 -3.56 0.00 0.00 178.44 174.79 3fx5 s LYS 7 N -4.74 1.68 0.28 0.49 -0.14 -1.26 -5.11 119.74 110.93 3fx5 s LYS 7 Ca -0.04 -1.93 -0.30 0.00 -1.36 0.00 0.00 55.97 52.34 3fx5 s LYS 7 Cb 0.16 -0.94 -0.12 0.00 -1.68 0.00 0.00 37.83 35.26 3fx5 s LYS 7 CO 0.68 -0.17 1.62 1.03 -0.76 0.00 0.00 175.35 177.75 3fx5 s ARG 8 N -3.87 4.11 -1.31 1.68 0.52 -1.26 -4.87 118.95 113.95 3fx5 s ARG 8 Ca 0.36 2.60 -0.15 0.00 -0.52 0.00 0.00 55.73 58.02 3fx5 s ARG 8 Cb 0.09 -3.02 0.10 0.00 0.52 0.00 0.00 34.95 32.63 3fx5 s ARG 8 CO 0.16 -0.66 1.79 -0.35 0.02 0.00 0.00 175.30 176.26 3fx5 n PRO 9 N 2.43 3.21 -3.41 3.54 -0.04 -1.26 -4.95 135.00 134.52 3fx5 n PRO 9 Ca 0.09 -3.29 -0.38 0.00 -0.04 0.00 0.00 63.50 59.88 3fx5 n PRO 9 Cb 0.37 -3.28 -0.06 0.00 -0.04 0.00 0.00 33.50 30.49 3fx5 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3fx5 s LEU 10 N 2.65 4.46 0.16 1.53 1.43 -1.26 -1.01 118.68 126.64 3fx5 s LEU 10 Ca 0.48 1.02 0.01 0.00 -1.03 0.00 0.00 54.13 54.60 3fx5 s LEU 10 Cb 0.05 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 3fx5 s LEU 10 CO 0.02 0.26 0.03 0.68 0.23 0.00 0.00 176.35 177.56 3fx5 s VAL 11 N -0.80 0.42 0.03 -1.59 -7.23 0.09 -4.95 120.40 106.36 3fx5 s VAL 11 Ca 0.25 -1.95 -0.20 0.00 -1.81 0.00 0.00 61.98 58.27 3fx5 s VAL 11 Cb -0.17 -2.10 -0.06 0.00 0.56 0.00 0.00 36.38 34.61 3fx5 s VAL 11 CO 0.14 -0.46 0.59 -0.89 -0.31 0.00 0.00 175.10 174.18 3fx5 s THR 12 N -3.83 4.83 0.25 5.32 2.01 -1.26 -0.77 115.64 122.18 3fx5 s THR 12 Ca 0.24 1.26 0.11 0.00 0.31 0.00 0.00 61.69 63.61 3fx5 s THR 12 Cb 0.07 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 3fx5 s THR 12 CO 0.03 0.47 -0.19 0.27 -0.69 0.00 0.00 174.62 174.51 3fx5 s ILE 13 N -0.54 2.26 -0.12 1.82 -4.36 0.38 -1.23 121.20 119.41 3fx5 s ILE 13 Ca 0.31 -2.29 0.01 0.00 -0.26 0.00 0.00 60.65 58.42 3fx5 s ILE 13 Cb -0.19 -2.19 0.02 0.00 1.25 0.00 0.00 42.46 41.34 3fx5 s ILE 13 CO 0.18 -0.41 -0.16 -0.75 0.24 0.00 0.00 174.94 174.05 3fx5 s LYS 14 N -3.40 2.36 -0.07 0.37 2.20 0.00 -1.30 119.74 119.91 3fx5 s LYS 14 Ca 0.26 -0.61 -0.03 0.00 -0.36 0.00 0.00 55.97 55.24 3fx5 s LYS 14 Cb -0.04 -2.03 0.04 0.00 -1.51 0.00 0.00 37.83 34.28 3fx5 s LYS 14 CO 0.12 -0.11 0.15 -1.50 -0.36 0.00 0.00 175.35 173.65 3fx5 s ILE 15 N 1.10 -0.05 -1.60 5.43 2.07 -0.25 -1.26 121.20 126.65 3fx5 s ILE 15 Ca -0.03 0.18 -0.01 0.00 -1.41 0.00 0.00 60.65 59.37 3fx5 s ILE 15 Cb -0.14 -0.24 0.00 0.00 0.13 0.00 0.00 42.46 42.21 3fx5 s ILE 15 CO -0.04 0.07 0.11 0.61 -1.91 0.00 0.00 174.94 173.78 3fx5 n GLY 16 N 4.18 -0.50 2.73 1.50 0.00 -1.26 -0.89 105.19 110.95 3fx5 n GLY 16 Ca -0.26 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3fx5 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fx5 n GLY 17 N -1.06 0.77 3.53 -0.02 0.00 -1.26 -5.02 105.19 102.13 3fx5 n GLY 17 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 3fx5 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fx5 s GLN 18 N -0.10 2.55 0.01 1.61 -0.21 -0.07 -5.11 119.66 118.34 3fx5 s GLN 18 Ca 0.00 -0.68 -0.21 0.00 0.02 0.00 0.00 55.36 54.49 3fx5 s GLN 18 Cb 0.00 -2.45 -0.06 0.00 1.00 0.00 0.00 33.01 31.51 3fx5 s GLN 18 CO 0.00 0.63 0.61 -0.51 -2.12 0.00 0.00 175.29 173.90 3fx5 s LEU 19 N -0.94 4.44 0.08 2.90 1.43 -1.26 -1.09 118.68 124.23 3fx5 s LEU 19 Ca 0.13 1.21 -0.03 0.00 -1.03 0.00 0.00 54.13 54.41 3fx5 s LEU 19 Cb -0.11 -2.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 3fx5 s LEU 19 CO 0.02 0.11 0.05 -0.54 0.23 0.00 0.00 176.35 176.22 3fx5 s LYS 20 N -0.29 0.73 -0.08 1.70 1.02 -0.42 -5.00 119.74 117.41 3fx5 s LYS 20 Ca 0.32 -1.19 -0.12 0.00 0.02 0.00 0.00 55.97 55.00 3fx5 s LYS 20 Cb -0.19 0.25 -0.05 0.00 -0.52 0.00 0.00 37.83 37.33 3fx5 s LYS 20 CO 0.18 -0.18 0.29 -2.00 -0.92 0.00 0.00 175.35 172.72 3fx5 s GLU 21 N -3.93 3.82 0.06 1.68 2.12 -1.26 -0.47 118.70 120.72 3fx5 s GLU 21 Ca 0.09 0.15 -0.06 0.00 0.36 0.00 0.00 54.97 55.51 3fx5 s GLU 21 Cb 0.07 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 3fx5 s GLU 21 CO -0.08 0.63 0.11 0.00 -0.54 0.00 0.00 175.26 175.38 3fx5 s ALA 22 N -0.73 -0.04 -0.22 6.30 0.00 0.05 -4.37 121.76 122.75 3fx5 s ALA 22 Ca 0.19 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 3fx5 s ALA 22 Cb -0.14 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 3fx5 s ALA 22 CO 0.08 -0.40 0.23 -1.17 0.00 0.00 0.00 175.76 174.50 3fx5 s LEU 23 N -2.55 4.14 -0.45 0.00 2.96 0.21 -0.73 118.68 122.26 3fx5 s LEU 23 Ca 0.01 0.25 -0.29 0.00 -0.22 0.00 0.00 54.13 53.88 3fx5 s LEU 23 Cb 0.03 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.51 3fx5 s LEU 23 CO -0.08 0.03 1.21 -0.76 -1.32 0.00 0.00 176.35 175.43 3fx5 s LEU 24 N 1.06 3.64 -0.35 -0.68 1.43 -0.18 -0.70 118.68 122.90 3fx5 s LEU 24 Ca 0.11 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.84 3fx5 s LEU 24 Cb -0.14 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.64 3fx5 s LEU 24 CO 0.05 -1.28 0.11 -0.62 0.23 0.00 0.00 176.35 174.85 3fx5 s ASP 25 N 2.80 4.24 0.51 2.29 -1.08 -0.18 -4.77 116.67 120.49 3fx5 s ASP 25 Ca 0.51 -2.05 0.34 0.00 -0.52 0.00 0.00 52.55 50.83 3fx5 s ASP 25 Cb -0.09 -1.20 1.61 0.00 -1.46 0.00 0.00 42.92 41.78 3fx5 s ASP 25 CO 0.31 -0.37 2.02 0.71 0.52 0.00 0.00 175.17 178.36 3fx5 h THR 26 N 6.28 0.00 -0.00 1.71 1.35 -1.93 -2.50 112.91 117.82 3fx5 h THR 26 Ca -0.08 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3fx5 h THR 26 Cb 1.00 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3fx5 h THR 26 CO 0.50 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 176.38 3fx5 n GLY 27 N -0.45 -1.34 3.57 5.82 0.00 -1.26 -4.83 105.19 106.71 3fx5 n GLY 27 Ca -0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3fx5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fx5 s ALA 28 N -2.69 3.27 0.25 4.61 0.00 -0.94 -4.98 121.76 121.28 3fx5 s ALA 28 Ca 0.24 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.39 3fx5 s ALA 28 Cb 0.20 -1.87 0.32 0.00 0.00 0.00 0.00 23.12 21.77 3fx5 s ALA 28 CO 0.48 0.06 1.65 -0.44 0.00 0.00 0.00 175.76 177.52 3fx5 h ASP 29 N 6.98 0.49 -2.17 0.00 3.32 -1.88 0.44 116.42 123.60 3fx5 h ASP 29 Ca -0.36 -0.20 -0.61 0.00 0.02 0.00 0.00 57.03 55.89 3fx5 h ASP 29 Cb 1.17 -0.14 -0.14 0.00 0.22 0.00 0.00 39.33 40.45 3fx5 h ASP 29 CO 0.66 0.81 -0.74 -1.81 -1.72 0.00 0.00 179.24 176.44 3fx5 s ASP 30 N -6.84 3.65 -0.23 6.45 -0.00 -1.26 -3.23 116.67 115.20 3fx5 s ASP 30 Ca -0.07 -1.03 -0.11 0.00 -0.00 0.00 0.00 52.55 51.34 3fx5 s ASP 30 Cb 0.13 -0.33 -0.05 0.00 -0.00 0.00 0.00 42.92 42.67 3fx5 s ASP 30 CO 0.80 0.01 0.18 -0.89 -0.00 0.00 0.00 175.17 175.27 3fx5 s THR 31 N -2.51 5.35 -0.04 -1.27 2.01 -1.26 -3.23 115.64 114.67 3fx5 s THR 31 Ca 0.30 0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.53 3fx5 s THR 31 Cb -0.04 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 68.97 3fx5 s THR 31 CO 0.15 0.34 0.00 0.54 -0.69 0.00 0.00 174.62 174.97 3fx5 s VAL 32 N 1.04 0.24 0.02 3.82 0.11 -0.60 -0.89 120.40 124.15 3fx5 s VAL 32 Ca 0.09 0.10 0.06 0.00 -2.93 0.00 0.00 61.98 59.29 3fx5 s VAL 32 Cb -0.13 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 3fx5 s VAL 32 CO 0.04 0.19 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.22 3fx5 s ILE 33 N 1.35 2.98 1.05 7.04 -1.09 0.29 -1.06 121.20 131.76 3fx5 s ILE 33 Ca -0.05 -1.02 -0.12 0.00 -2.23 0.00 0.00 60.65 57.23 3fx5 s ILE 33 Cb -0.13 -2.24 0.19 0.00 -1.58 0.00 0.00 42.46 38.70 3fx5 s ILE 33 CO -0.02 0.40 0.89 -1.84 -1.23 0.00 0.00 174.94 173.14 3fx5 n GLU 34 N 1.72 -1.38 -1.65 2.79 0.28 -1.26 -1.47 120.64 119.67 3fx5 n GLU 34 Ca -0.16 -0.36 -0.47 0.00 -0.16 0.00 0.00 57.16 56.01 3fx5 n GLU 34 Cb 0.52 -2.16 -0.04 0.00 1.43 0.00 0.00 31.44 31.19 3fx5 n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3fx5 n GLU 35 N -4.02 1.88 -3.62 3.44 -0.58 -1.22 -4.56 120.64 111.96 3fx5 n GLU 35 Ca 0.07 0.67 -0.07 0.00 -0.42 0.00 0.00 57.16 57.41 3fx5 n GLU 35 Cb 0.54 -2.38 -0.02 0.00 -0.57 0.00 0.00 31.44 29.02 3fx5 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fx5 s MET 36 N 0.44 1.12 0.07 3.49 0.23 -1.26 -5.04 119.30 118.35 3fx5 s MET 36 Ca 0.77 -0.53 -0.19 0.00 -1.03 0.00 0.00 55.69 54.71 3fx5 s MET 36 Cb -0.73 0.44 -0.07 0.00 -1.53 0.00 0.00 34.83 32.94 3fx5 s MET 36 CO 0.43 -0.50 0.57 0.45 -2.03 0.00 0.00 175.02 173.94 3fx5 s SER 37 N -2.74 7.06 0.09 -1.18 0.15 -1.26 -5.02 113.70 110.80 3fx5 s SER 37 Ca 0.08 1.26 0.03 0.00 0.70 0.00 0.00 55.95 58.01 3fx5 s SER 37 Cb -0.02 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 3fx5 s SER 37 CO -0.04 0.27 -0.08 -0.76 1.20 0.00 0.00 173.24 173.83 3fx5 s LEU 38 N -1.10 2.43 0.57 3.45 1.43 -1.26 -4.91 118.68 119.29 3fx5 s LEU 38 Ca 0.29 -0.86 -0.09 0.00 -1.03 0.00 0.00 54.13 52.44 3fx5 s LEU 38 Cb -0.19 -0.20 -0.04 0.00 0.03 0.00 0.00 46.19 45.79 3fx5 s LEU 38 CO 0.19 -0.33 0.94 -2.16 0.23 0.00 0.00 176.35 175.22 3fx5 s PRO 39 N -3.05 3.60 0.02 1.29 0.04 -1.26 -4.97 135.00 130.66 3fx5 s PRO 39 Ca 0.06 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.68 3fx5 s PRO 39 Cb -0.01 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.35 3fx5 s PRO 39 CO -0.02 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.00 3fx5 n GLY 40 N -2.52 -3.61 3.83 0.56 0.00 -1.26 -4.91 105.19 97.28 3fx5 n GLY 40 Ca 0.04 -1.92 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 3fx5 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fx5 s ARG 41 N -0.95 3.16 0.14 1.61 0.52 -1.26 -5.07 118.95 117.10 3fx5 s ARG 41 Ca 0.00 0.92 -0.07 0.00 -0.52 0.00 0.00 55.73 56.07 3fx5 s ARG 41 Cb 0.00 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.43 3fx5 s ARG 41 CO 0.00 -0.92 0.20 1.67 0.02 0.00 0.00 175.30 176.27 3fx5 s TRP 42 N -3.02 0.48 0.04 -0.53 1.48 -1.26 -4.46 118.94 111.67 3fx5 s TRP 42 Ca 0.58 -0.87 0.02 0.00 -1.06 0.00 0.00 56.10 54.77 3fx5 s TRP 42 Cb -0.13 -0.18 -0.03 0.00 -1.16 0.00 0.00 33.47 31.97 3fx5 s TRP 42 CO 0.53 -0.62 -0.07 -1.59 -4.06 0.00 0.00 176.95 171.14 3fx5 s LYS 43 N -3.97 0.53 0.55 3.25 -2.85 -0.89 -4.92 119.74 111.44 3fx5 s LYS 43 Ca 0.16 -0.82 -0.17 0.00 -1.00 0.00 0.00 55.97 54.15 3fx5 s LYS 43 Cb 0.05 -0.19 -0.06 0.00 -2.06 0.00 0.00 37.83 35.57 3fx5 s LYS 43 CO -0.02 0.02 1.03 -1.25 0.10 0.00 0.00 175.35 175.23 3fx5 s PRO 44 N -1.91 3.59 0.00 1.78 0.04 -1.26 -0.40 135.00 136.85 3fx5 s PRO 44 Ca -0.08 1.18 -0.09 0.00 0.04 0.00 0.00 61.00 62.05 3fx5 s PRO 44 Cb -0.08 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3fx5 s PRO 44 CO -0.01 -0.58 0.17 0.21 0.04 0.00 0.00 177.00 176.83 3fx5 s LYS 45 N -3.86 0.54 -0.12 4.56 2.20 -0.51 -4.85 119.74 117.69 3fx5 s LYS 45 Ca 0.63 -0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 55.82 3fx5 s LYS 45 Cb -0.14 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.38 3fx5 s LYS 45 CO 0.31 -0.14 -0.05 -1.64 -0.36 0.00 0.00 175.35 173.47 3fx5 s MET 46 N -1.53 3.32 -0.03 4.03 -1.94 -1.26 -0.80 119.30 121.08 3fx5 s MET 46 Ca -0.13 -0.54 0.05 0.00 -1.71 0.00 0.00 55.69 53.36 3fx5 s MET 46 Cb -0.06 -2.78 -0.01 0.00 2.01 0.00 0.00 34.83 33.99 3fx5 s MET 46 CO 0.01 0.40 -0.16 0.96 -0.01 0.00 0.00 175.02 176.22 3fx5 s ILE 47 N -0.08 1.32 -0.49 2.53 -4.36 -0.45 -4.97 121.20 114.71 3fx5 s ILE 47 Ca 0.01 -0.69 -0.20 0.00 -0.26 0.00 0.00 60.65 59.51 3fx5 s ILE 47 Cb -0.13 -1.12 0.04 0.00 1.25 0.00 0.00 42.46 42.50 3fx5 s ILE 47 CO 0.03 0.38 0.67 -0.83 0.24 0.00 0.00 174.94 175.42 3fx5 s GLY 48 N -0.17 1.71 0.29 6.27 0.00 -1.26 -1.30 107.32 112.85 3fx5 s GLY 48 Ca 0.02 -1.48 0.04 0.00 0.00 0.00 0.00 44.72 43.30 3fx5 s GLY 48 CO 0.01 1.56 0.40 0.61 0.00 0.00 0.00 173.10 175.68 3fx5 n GLY 49 N 5.11 1.82 0.28 0.20 0.00 0.50 -4.95 105.19 108.16 3fx5 n GLY 49 Ca -0.04 -2.16 0.14 0.00 0.00 0.00 0.00 46.02 43.96 3fx5 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fx5 h ILE 50 N -0.01 0.57 -0.23 -0.61 6.09 -2.02 -1.91 117.51 119.39 3fx5 h ILE 50 Ca -0.14 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 3fx5 h ILE 50 Cb 0.61 1.11 0.00 0.00 0.47 0.00 0.00 36.82 39.00 3fx5 h ILE 50 CO 0.19 0.04 0.00 0.61 -3.07 0.00 0.00 178.15 175.92 3fx5 n GLY 51 N -1.14 1.30 0.00 8.18 0.00 -1.26 -5.06 105.19 107.21 3fx5 n GLY 51 Ca -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3fx5 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fx5 n GLY 52 N 1.41 0.40 3.63 -0.02 0.00 -0.72 -5.12 105.19 104.78 3fx5 n GLY 52 Ca 0.17 -1.98 -0.28 0.00 0.00 0.00 0.00 46.02 43.93 3fx5 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fx5 s PHE 53 N -0.88 2.82 0.14 1.61 0.40 -1.26 0.19 117.98 120.99 3fx5 s PHE 53 Ca 0.00 -0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.27 3fx5 s PHE 53 Cb 0.00 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 3fx5 s PHE 53 CO 0.00 0.48 -0.16 0.96 0.70 0.00 0.00 175.22 177.20 3fx5 s ILE 54 N -1.48 1.55 -0.07 0.64 -4.36 -0.42 -4.95 121.20 112.11 3fx5 s ILE 54 Ca 0.25 -1.77 -0.18 0.00 -0.26 0.00 0.00 60.65 58.69 3fx5 s ILE 54 Cb -0.10 -1.65 -0.05 0.00 1.25 0.00 0.00 42.46 41.91 3fx5 s ILE 54 CO 0.17 -0.34 0.47 -0.75 0.24 0.00 0.00 174.94 174.73 3fx5 s LYS 55 N -2.63 4.23 0.22 0.37 2.20 -1.26 -1.34 119.74 121.53 3fx5 s LYS 55 Ca 0.11 0.48 0.02 0.00 -0.36 0.00 0.00 55.97 56.22 3fx5 s LYS 55 Cb -0.06 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 3fx5 s LYS 55 CO 0.04 0.33 0.04 0.14 -0.36 0.00 0.00 175.35 175.55 3fx5 s VAL 56 N 0.04 0.71 -0.19 4.02 -7.23 0.02 -4.45 120.40 113.33 3fx5 s VAL 56 Ca 0.26 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.34 3fx5 s VAL 56 Cb -0.16 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 3fx5 s VAL 56 CO 0.12 -0.26 0.10 -0.13 -0.31 0.00 0.00 175.10 174.62 3fx5 s ARG 57 N -3.95 4.06 -0.31 4.82 0.52 0.02 -1.43 118.95 122.68 3fx5 s ARG 57 Ca 0.30 -0.27 -0.12 0.00 -0.52 0.00 0.00 55.73 55.12 3fx5 s ARG 57 Cb 0.07 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 3fx5 s ARG 57 CO 0.09 0.31 0.22 -1.14 0.02 0.00 0.00 175.30 174.80 3fx5 s GLN 58 N 0.30 3.71 -0.12 3.54 0.74 0.47 -0.81 119.66 127.50 3fx5 s GLN 58 Ca 0.06 -0.48 -0.01 0.00 0.05 0.00 0.00 55.36 54.98 3fx5 s GLN 58 Cb -0.12 -3.74 -0.03 0.00 1.10 0.00 0.00 33.01 30.23 3fx5 s GLN 58 CO -0.01 -0.32 -0.07 0.71 -0.55 0.00 0.00 175.29 175.05 3fx5 s TYR 59 N 1.76 2.94 0.21 1.67 1.51 -0.35 -2.09 117.35 123.00 3fx5 s TYR 59 Ca 0.07 -0.25 0.05 0.00 -1.01 0.00 0.00 57.07 55.93 3fx5 s TYR 59 Cb -0.17 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 3fx5 s TYR 59 CO 0.11 0.07 0.27 -0.51 -1.11 0.00 0.00 175.55 174.38 3fx5 s ASP 60 N -0.09 6.02 -1.28 2.29 1.01 -1.26 -0.75 116.67 122.61 3fx5 s ASP 60 Ca 0.01 -0.01 -0.04 0.00 0.71 0.00 0.00 52.55 53.21 3fx5 s ASP 60 Cb -0.13 -1.70 0.01 0.00 1.01 0.00 0.00 42.92 42.10 3fx5 s ASP 60 CO 0.03 -0.02 1.09 0.00 0.21 0.00 0.00 175.17 176.48 3fx5 n GLN 61 N -1.02 -7.26 -3.60 8.23 6.02 -1.14 -4.91 117.38 113.71 3fx5 n GLN 61 Ca -0.08 0.84 -0.38 0.00 -0.01 0.00 0.00 57.00 57.36 3fx5 n GLN 61 Cb 0.56 -5.87 -0.11 0.00 1.02 0.00 0.00 30.24 25.84 3fx5 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3fx5 s ILE 62 N -3.34 5.27 0.14 5.09 -1.09 -0.11 -4.81 121.20 122.35 3fx5 s ILE 62 Ca 0.29 0.16 -0.30 0.00 -2.23 0.00 0.00 60.65 58.56 3fx5 s ILE 62 Cb -0.13 -3.51 -0.07 0.00 -1.58 0.00 0.00 42.46 37.18 3fx5 s ILE 62 CO 0.73 0.26 1.06 -0.63 -1.23 0.00 0.00 174.94 175.13 3fx5 s ILE 63 N 1.73 4.11 0.06 2.92 1.01 -1.26 -1.44 121.20 128.33 3fx5 s ILE 63 Ca 0.07 1.77 -0.03 0.00 0.00 0.00 0.00 60.65 62.45 3fx5 s ILE 63 Cb -0.16 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 3fx5 s ILE 63 CO 0.11 0.28 0.03 -0.51 0.00 0.00 0.00 174.94 174.85 3fx5 s ILE 64 N -0.04 0.19 -0.14 2.92 2.07 -0.38 -4.54 121.20 121.29 3fx5 s ILE 64 Ca 0.49 -1.59 0.00 0.00 -1.41 0.00 0.00 60.65 58.14 3fx5 s ILE 64 Cb -0.27 -1.41 0.02 0.00 0.13 0.00 0.00 42.46 40.93 3fx5 s ILE 64 CO 0.33 -0.88 -0.12 -0.70 -1.91 0.00 0.00 174.94 171.66 3fx5 s GLU 65 N -3.78 2.02 -0.30 3.50 2.12 -0.39 -0.56 118.70 121.31 3fx5 s GLU 65 Ca 0.05 -0.45 -0.01 0.00 0.36 0.00 0.00 54.97 54.93 3fx5 s GLU 65 Cb 0.06 -1.92 0.06 0.00 0.26 0.00 0.00 34.13 32.59 3fx5 s GLU 65 CO -0.10 -0.25 -0.01 0.42 -0.54 0.00 0.00 175.26 174.78 3fx5 s ILE 66 N 1.56 2.81 -1.58 -3.70 1.01 0.43 -0.82 121.20 120.91 3fx5 s ILE 66 Ca 0.05 -1.49 -0.12 0.00 0.00 0.00 0.00 60.65 59.09 3fx5 s ILE 66 Cb -0.13 -2.65 0.10 0.00 0.01 0.00 0.00 42.46 39.79 3fx5 s ILE 66 CO -0.10 -0.12 0.73 0.00 0.00 0.00 0.00 174.94 175.45 3fx5 n ALA 67 N 4.57 -1.48 -0.29 9.38 0.00 -0.36 -0.79 120.51 131.54 3fx5 n ALA 67 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3fx5 n ALA 67 Cb 0.43 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.72 3fx5 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fx5 n GLY 68 N -1.62 1.27 3.36 0.00 0.00 -1.26 -5.03 105.19 101.91 3fx5 n GLY 68 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3fx5 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fx5 s HIS 69 N -2.87 3.05 0.59 1.61 4.02 0.03 -5.08 115.29 116.64 3fx5 s HIS 69 Ca 0.00 -0.80 -0.13 0.00 1.02 0.00 0.00 55.06 55.15 3fx5 s HIS 69 Cb 0.00 -2.18 -0.05 0.00 -1.02 0.00 0.00 32.58 29.33 3fx5 s HIS 69 CO 0.00 -0.50 1.02 0.15 1.02 0.00 0.00 174.74 176.43 3fx5 s LYS 70 N 1.52 3.63 0.13 1.40 1.02 -1.26 -0.43 119.74 125.76 3fx5 s LYS 70 Ca 0.05 0.85 -0.06 0.00 0.02 0.00 0.00 55.97 56.83 3fx5 s LYS 70 Cb -0.15 -2.09 0.02 0.00 -0.52 0.00 0.00 37.83 35.09 3fx5 s LYS 70 CO 0.00 -0.54 0.32 0.00 -0.92 0.00 0.00 175.35 174.21 3fx5 n ALA 71 N -2.41 -0.75 -3.36 5.17 0.00 0.28 -4.78 120.51 114.65 3fx5 n ALA 71 Ca 0.06 -0.45 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 3fx5 n ALA 71 Cb 0.54 0.34 -0.09 0.00 0.00 0.00 0.00 19.45 20.23 3fx5 n ALA 71 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3fx5 s ILE 72 N -2.59 0.00 -1.17 0.00 2.07 -1.26 -1.25 121.20 117.00 3fx5 s ILE 72 Ca 0.07 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 3fx5 s ILE 72 Cb -0.02 -0.66 0.00 0.00 0.13 0.00 0.00 42.46 41.91 3fx5 s ILE 72 CO 0.04 -0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 3fx5 n GLY 73 N 2.71 -1.00 3.74 1.50 0.00 -0.52 -4.91 105.19 106.70 3fx5 n GLY 73 Ca -0.14 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 3fx5 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fx5 s THR 74 N -3.00 4.09 -0.07 2.61 2.01 -1.26 -0.94 115.64 119.08 3fx5 s THR 74 Ca 0.00 1.88 0.03 0.00 0.31 0.00 0.00 61.69 63.90 3fx5 s THR 74 Cb 0.00 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.32 3fx5 s THR 74 CO 0.00 0.36 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.45 3fx5 s VAL 75 N -0.50 1.30 -0.10 3.82 1.01 0.07 -4.48 120.40 121.51 3fx5 s VAL 75 Ca 0.46 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 3fx5 s VAL 75 Cb -0.27 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3fx5 s VAL 75 CO 0.33 0.39 0.20 -0.76 0.00 0.00 0.00 175.10 175.26 3fx5 s LEU 76 N 0.59 4.39 -0.09 3.92 1.43 -0.07 -1.21 118.68 127.64 3fx5 s LEU 76 Ca -0.15 0.55 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 3fx5 s LEU 76 Cb -0.16 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.88 3fx5 s LEU 76 CO 0.05 0.37 -0.18 -0.69 0.23 0.00 0.00 176.35 176.12 3fx5 s VAL 77 N -0.89 1.61 -1.17 -1.59 1.01 0.00 -0.55 120.40 118.84 3fx5 s VAL 77 Ca 0.16 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3fx5 s VAL 77 Cb -0.13 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.82 3fx5 s VAL 77 CO 0.05 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3fx5 n GLY 78 N 3.80 -0.84 2.38 4.51 0.00 -0.54 -0.80 105.19 113.70 3fx5 n GLY 78 Ca -0.20 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 3fx5 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fx5 n PRO 79 N 0.00 4.05 -2.95 1.61 -0.04 -1.26 -3.40 135.00 133.01 3fx5 n PRO 79 Ca 0.00 -2.74 -0.40 0.00 -0.04 0.00 0.00 63.50 60.33 3fx5 n PRO 79 Cb 0.00 -2.70 -0.06 0.00 -0.04 0.00 0.00 33.50 30.71 3fx5 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3fx5 s THR 80 N 0.60 4.44 -0.25 0.52 -1.32 -1.26 -4.96 115.64 113.41 3fx5 s THR 80 Ca 0.63 1.74 0.28 0.00 -1.21 0.00 0.00 61.69 63.13 3fx5 s THR 80 Cb 0.19 -4.16 0.32 0.00 -1.51 0.00 0.00 72.50 67.34 3fx5 s THR 80 CO -0.08 0.47 1.83 1.55 -2.21 0.00 0.00 174.62 176.18 3fx5 h PRO 81 N 4.73 0.00 -3.53 7.08 0.13 -1.98 -3.43 132.00 135.00 3fx5 h PRO 81 Ca -0.46 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.45 3fx5 h PRO 81 Cb 1.21 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.05 3fx5 h PRO 81 CO 0.68 0.00 -0.64 0.08 -0.23 0.00 0.00 178.00 177.88 3fx5 s VAL 82 N -3.44 -0.01 0.11 1.56 1.01 -1.26 -5.10 120.40 113.27 3fx5 s VAL 82 Ca 0.04 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 3fx5 s VAL 82 Cb 0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 36.38 36.29 3fx5 s VAL 82 CO 0.50 0.02 1.20 0.20 0.00 0.00 0.00 175.10 177.01 3fx5 s ASN 83 N 0.25 7.08 -0.14 3.32 0.01 -1.26 -4.80 114.94 119.41 3fx5 s ASN 83 Ca -0.02 2.10 0.02 0.00 -0.71 0.00 0.00 52.86 54.25 3fx5 s ASN 83 Cb -0.03 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.06 3fx5 s ASN 83 CO -0.01 -0.43 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.33 3fx5 s ILE 84 N 0.64 1.88 -0.41 0.60 -1.09 -0.22 -0.62 121.20 121.97 3fx5 s ILE 84 Ca 0.57 -0.87 -0.18 0.00 -2.23 0.00 0.00 60.65 57.94 3fx5 s ILE 84 Cb -0.31 -1.68 0.02 0.00 -1.58 0.00 0.00 42.46 38.91 3fx5 s ILE 84 CO 0.32 0.51 0.46 -0.63 -1.23 0.00 0.00 174.94 174.37 3fx5 s ILE 85 N 0.95 5.06 0.39 2.92 -1.09 0.12 -1.55 121.20 127.99 3fx5 s ILE 85 Ca -0.05 -0.24 0.05 0.00 -2.23 0.00 0.00 60.65 58.17 3fx5 s ILE 85 Cb -0.15 -4.04 0.07 0.00 -1.58 0.00 0.00 42.46 36.76 3fx5 s ILE 85 CO -0.03 -0.41 0.54 0.61 -1.23 0.00 0.00 174.94 174.41 3fx5 n GLY 86 N 5.08 1.63 0.28 6.18 0.00 -1.20 -1.01 105.19 116.14 3fx5 n GLY 86 Ca -0.07 -2.14 0.06 0.00 0.00 0.00 0.00 46.02 43.87 3fx5 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3fx5 h ARG 87 N 0.00 0.20 -0.17 1.61 3.08 -1.00 -0.90 114.38 117.21 3fx5 h ARG 87 Ca -0.18 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 59.90 3fx5 h ARG 87 Cb 0.78 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3fx5 h ARG 87 CO 0.24 0.14 0.12 -2.95 -1.07 0.00 0.00 179.97 176.45 3fx5 h ASN 88 N 0.21 0.00 0.00 7.04 -1.07 -1.81 -1.83 115.58 118.12 3fx5 h ASN 88 Ca 0.06 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.17 3fx5 h ASN 88 Cb -0.02 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.19 3fx5 h ASN 88 CO -0.01 0.00 -2.11 0.18 0.07 0.00 0.00 177.43 175.56 3fx5 n LEU 89 N -4.42 0.00 -0.25 6.14 4.77 -0.75 -4.46 117.00 118.02 3fx5 n LEU 89 Ca 0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.01 3fx5 n LEU 89 Cb 0.25 0.35 0.25 0.00 -2.33 0.00 0.00 43.42 41.94 3fx5 n LEU 89 CO 0.34 0.35 1.25 -0.07 -1.33 0.00 0.00 177.39 177.92 3fx5 h LEU 90 N 0.00 0.88 -1.05 2.23 3.38 -0.89 -1.46 115.31 118.39 3fx5 h LEU 90 Ca -0.38 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.61 3fx5 h LEU 90 Cb 1.84 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 42.33 3fx5 h LEU 90 CO 0.02 0.60 0.64 0.71 0.09 0.00 0.00 178.44 180.50 3fx5 h THR 91 N 1.02 1.17 0.00 0.22 1.35 -1.56 -1.85 112.91 113.26 3fx5 h THR 91 Ca 0.33 -0.42 -0.10 0.00 -0.55 0.00 0.00 66.41 65.67 3fx5 h THR 91 Cb 0.03 -0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 66.28 3fx5 h THR 91 CO -0.10 0.22 -0.46 1.56 -0.25 0.00 0.00 175.52 176.50 3fx5 h GLN 92 N 1.23 0.00 -0.18 4.72 1.08 -1.49 -1.53 115.11 118.94 3fx5 h GLN 92 Ca 0.38 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.58 3fx5 h GLN 92 Cb -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3fx5 h GLN 92 CO -0.12 0.46 0.00 0.44 -0.95 0.00 0.00 178.83 178.66 3fx5 n ILE 93 N -3.75 0.23 -1.51 2.54 -5.35 -1.11 -4.94 119.36 105.47 3fx5 n ILE 93 Ca -0.01 -0.38 -0.01 0.00 -0.27 0.00 0.00 62.75 62.08 3fx5 n ILE 93 Cb 0.52 0.43 -0.00 0.00 -1.74 0.00 0.00 39.64 38.84 3fx5 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fx5 n GLY 94 N 1.16 0.40 3.74 3.28 0.00 -0.58 -5.02 105.19 108.17 3fx5 n GLY 94 Ca 0.16 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 3fx5 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fx5 s ALA 95 N -2.05 3.32 0.12 4.61 0.00 -0.71 -5.03 121.76 122.02 3fx5 s ALA 95 Ca 0.00 0.71 0.04 0.00 0.00 0.00 0.00 51.96 52.71 3fx5 s ALA 95 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3fx5 s ALA 95 CO 0.00 -0.11 -0.10 0.95 0.00 0.00 0.00 175.76 176.50 3fx5 s THR 96 N -0.24 1.04 -0.19 0.00 -4.23 -1.26 -4.68 115.64 106.07 3fx5 s THR 96 Ca 0.48 -1.84 -0.10 0.00 -1.18 0.00 0.00 61.69 59.04 3fx5 s THR 96 Cb -0.27 -1.60 -0.05 0.00 1.34 0.00 0.00 72.50 71.92 3fx5 s THR 96 CO 0.33 -0.65 0.14 -0.76 -0.54 0.00 0.00 174.62 173.14 3fx5 s LEU 97 N -2.79 4.22 -0.05 4.79 1.43 -1.26 -5.09 118.68 119.93 3fx5 s LEU 97 Ca 0.11 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.50 3fx5 s LEU 97 Cb -0.00 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.11 3fx5 s LEU 97 CO 0.00 0.18 -0.14 0.20 0.23 0.00 0.00 176.35 176.83 3fx5 s ASN 98 N 0.30 1.83 0.00 2.29 -0.87 -1.26 -5.30 114.94 111.93 3fx5 s ASN 98 Ca 0.09 -0.30 0.00 0.00 -1.57 0.00 0.00 52.86 51.08 3fx5 s ASN 98 Cb -0.11 -0.64 0.00 0.00 -0.02 0.00 0.00 41.25 40.48 3fx5 s ASN 98 CO -0.01 0.09 0.00 2.22 -2.57 0.00 0.00 177.10 176.83