#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5l s PHE 2 N 0.00 1.70 0.61 1.12 5.36 -1.26 -5.03 117.98 120.48 2k5l s PHE 2 Ca 0.00 -1.64 0.07 0.00 -0.96 0.00 0.00 56.93 54.40 2k5l s PHE 2 Cb 0.00 -1.63 0.10 0.00 -0.34 0.00 0.00 43.02 41.14 2k5l s PHE 2 CO 0.00 -0.84 0.84 -1.54 -1.46 0.00 0.00 175.22 172.23 2k5l s SER 3 N 1.62 4.92 0.00 6.13 1.04 -1.26 -1.11 113.70 125.04 2k5l s SER 3 Ca 0.07 -0.75 0.16 0.00 0.48 0.00 0.00 55.95 55.91 2k5l s SER 3 Cb -0.17 0.25 0.74 0.00 0.10 0.00 0.00 66.02 66.94 2k5l s SER 3 CO -0.21 -1.47 1.49 0.18 0.98 0.00 0.00 173.24 174.21 2k5l n LEU 4 N -2.38 0.00 0.03 2.42 4.77 -1.20 -0.90 117.00 119.74 2k5l n LEU 4 Ca 0.16 0.41 -0.10 0.00 -0.03 0.00 0.00 56.01 56.44 2k5l n LEU 4 Cb 0.61 -0.41 -0.13 0.00 -2.33 0.00 0.00 43.42 41.16 2k5l n LEU 4 CO 0.40 -0.19 -0.26 0.03 -1.33 0.00 0.00 177.39 176.04 2k5l h ARG 5 N 0.00 0.07 0.00 3.23 2.47 -1.89 -3.33 114.38 114.93 2k5l h ARG 5 Ca 0.00 -0.12 -0.20 0.00 -1.26 0.00 0.00 59.98 58.40 2k5l h ARG 5 Cb 0.22 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.55 2k5l h ARG 5 CO 0.00 0.84 -1.07 -0.44 0.56 0.00 0.00 179.97 179.85 2k5l h ASP 6 N 0.02 0.00 -4.20 7.04 3.32 -1.67 -3.46 116.42 117.47 2k5l h ASP 6 Ca -0.19 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.35 2k5l h ASP 6 Cb 1.93 0.00 0.11 0.00 0.22 0.00 0.00 39.33 41.60 2k5l h ASP 6 CO 0.12 0.88 0.37 0.00 -1.72 0.00 0.00 179.24 178.89 2k5l s ALA 7 N -2.75 2.40 0.15 3.45 0.00 -0.07 -4.95 121.76 119.99 2k5l s ALA 7 Ca 0.00 0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.59 2k5l s ALA 7 Cb 0.09 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 2k5l s ALA 7 CO 0.81 -1.40 0.08 0.21 0.00 0.00 0.00 175.76 175.46 2k5l s LYS 8 N -4.12 2.74 0.39 0.00 2.47 -1.26 -4.94 119.74 115.01 2k5l s LYS 8 Ca 0.68 -0.90 -0.27 0.00 -1.56 0.00 0.00 55.97 53.91 2k5l s LYS 8 Cb -0.21 -2.57 -0.11 0.00 -1.46 0.00 0.00 37.83 33.48 2k5l s LYS 8 CO 0.43 0.49 1.42 0.00 0.16 0.00 0.00 175.35 177.85 2k5l n GLY 10 N 0.57 3.23 3.73 0.00 0.00 0.32 -4.95 105.19 108.09 2k5l n GLY 10 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2k5l n GLY 10 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k5l s GLN 11 N -0.53 4.38 -0.52 1.61 -0.21 -0.88 -4.78 119.66 118.73 2k5l s GLN 11 Ca 0.00 2.03 -0.18 0.00 0.02 0.00 0.00 55.36 57.23 2k5l s GLN 11 Cb 0.00 -3.22 0.07 0.00 1.00 0.00 0.00 33.01 30.87 2k5l s GLN 11 CO 0.00 -0.29 0.60 0.99 -2.12 0.00 0.00 175.29 174.47 2k5l s THR 12 N 0.41 4.93 0.48 -0.19 2.01 -1.26 -2.67 115.64 119.35 2k5l s THR 12 Ca 0.59 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.89 2k5l s THR 12 Cb -0.36 -4.32 -0.01 0.00 0.01 0.00 0.00 72.50 67.82 2k5l s THR 12 CO 0.36 -0.85 0.22 0.68 -0.69 0.00 0.00 174.62 174.34 2k5l s VAL 13 N 2.44 1.85 0.02 3.82 -7.23 0.97 -3.77 120.40 118.50 2k5l s VAL 13 Ca 0.12 -1.68 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 2k5l s VAL 13 Cb -0.22 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 2k5l s VAL 13 CO 0.09 0.00 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.27 2k5l s LYS 14 N -4.03 0.50 -0.11 4.82 1.02 0.46 0.78 119.74 123.19 2k5l s LYS 14 Ca 0.31 -0.50 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 2k5l s LYS 14 Cb 0.01 -0.38 -0.02 0.00 -0.52 0.00 0.00 37.83 36.93 2k5l s LYS 14 CO 0.18 0.09 1.08 0.08 -0.92 0.00 0.00 175.35 175.86 2k5l s VAL 15 N -0.79 4.58 -0.04 3.17 1.01 -0.77 -0.72 120.40 126.85 2k5l s VAL 15 Ca -0.04 1.87 0.00 0.00 0.00 0.00 0.00 61.98 63.82 2k5l s VAL 15 Cb -0.06 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 2k5l s VAL 15 CO 0.00 -0.03 -0.03 1.33 0.00 0.00 0.00 175.10 176.37 2k5l n VAL 16 N 4.71 0.20 -4.00 2.92 0.24 -0.38 -0.42 118.33 121.60 2k5l n VAL 16 Ca 0.10 -0.08 -0.10 0.00 -2.04 0.00 0.00 64.34 62.22 2k5l n VAL 16 Cb 0.47 -0.66 -0.11 0.00 -1.47 0.00 0.00 33.84 32.07 2k5l n VAL 16 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2k5l s LYS 17 N -2.07 0.35 -0.24 7.34 2.20 -1.01 -4.91 119.74 121.41 2k5l s LYS 17 Ca -0.05 -0.63 0.02 0.00 -0.36 0.00 0.00 55.97 54.96 2k5l s LYS 17 Cb 0.01 0.01 0.05 0.00 -1.51 0.00 0.00 37.83 36.39 2k5l s LYS 17 CO 0.08 -0.02 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.40 2k5l s LEU 18 N -1.44 3.08 0.00 5.43 1.43 -1.26 -0.48 118.68 125.44 2k5l s LEU 18 Ca -0.14 -1.18 0.18 0.00 -1.03 0.00 0.00 54.13 51.96 2k5l s LEU 18 Cb -0.10 -1.53 0.82 0.00 0.03 0.00 0.00 46.19 45.41 2k5l s LEU 18 CO -0.01 -0.14 1.59 1.41 0.23 0.00 0.00 176.35 179.43 2k5l n HIS 19 N 4.49 0.00 -1.88 0.29 8.25 0.14 -4.79 115.22 121.72 2k5l n HIS 19 Ca -0.16 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.94 2k5l n HIS 19 Cb 0.44 -0.46 0.05 0.00 1.12 0.00 0.00 29.99 31.15 2k5l n HIS 19 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2k5l s GLY 20 N -2.91 2.81 0.00 -1.41 0.00 -1.26 -4.99 107.32 99.56 2k5l s GLY 20 Ca 0.11 1.12 0.00 0.00 0.00 0.00 0.00 44.72 45.95 2k5l s GLY 20 CO 0.32 1.53 0.50 -1.30 0.00 0.00 0.00 173.10 174.16 2k5l n THR 21 N -1.73 0.00 0.14 0.90 -2.24 -1.26 -4.57 114.28 105.51 2k5l n THR 21 Ca 0.15 1.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.93 2k5l n THR 21 Cb 0.49 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.78 2k5l n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k5l n GLY 22 N -0.57 -0.64 0.34 3.38 0.00 -1.26 -4.79 105.19 101.65 2k5l n GLY 22 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2k5l n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5l h ALA 23 N 0.00 1.44 -0.41 4.61 0.00 -1.99 -2.05 119.26 120.86 2k5l h ALA 23 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k5l h ALA 23 Cb 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 2k5l h ALA 23 CO 0.00 0.50 0.19 -0.07 0.00 0.00 0.00 179.25 179.86 2k5l h LEU 24 N 0.98 0.26 0.36 0.00 -0.00 -1.89 -0.12 115.31 114.90 2k5l h LEU 24 Ca 0.26 0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 58.15 2k5l h LEU 24 Cb -0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.58 2k5l h LEU 24 CO -0.05 0.19 -0.18 0.11 -0.00 0.00 0.00 178.44 178.51 2k5l h LYS 25 N 0.38 -0.47 -0.95 1.13 1.57 -1.64 -2.37 116.57 114.22 2k5l h LYS 25 Ca 0.18 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 2k5l h LYS 25 Cb 0.11 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 2k5l h LYS 25 CO -0.14 -0.32 0.62 -0.09 -0.57 0.00 0.00 179.45 178.95 2k5l h ARG 26 N -0.49 1.15 -0.25 3.15 2.43 -1.24 -1.34 114.38 117.79 2k5l h ARG 26 Ca -0.05 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2k5l h ARG 26 Cb 0.38 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2k5l h ARG 26 CO 0.08 0.76 0.15 -0.09 -1.51 0.00 0.00 179.97 179.36 2k5l h ARG 27 N 1.18 0.33 -0.43 0.20 9.65 -0.80 0.46 114.38 124.97 2k5l h ARG 27 Ca 0.38 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.23 2k5l h ARG 27 Cb 0.02 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 2k5l h ARG 27 CO -0.13 0.24 0.25 0.82 2.80 0.00 0.00 179.97 183.95 2k5l h ILE 28 N 0.32 1.15 -0.05 1.20 2.04 -1.08 -2.52 117.51 118.57 2k5l h ILE 28 Ca 0.09 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 2k5l h ILE 28 Cb -0.01 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2k5l h ILE 28 CO -0.02 0.15 -0.33 0.24 0.00 0.00 0.00 178.15 178.19 2k5l h MET 29 N 0.56 0.09 -0.44 2.37 2.86 -0.77 -1.90 114.93 117.69 2k5l h MET 29 Ca 0.15 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 2k5l h MET 29 Cb 0.03 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2k5l h MET 29 CO -0.03 0.41 0.06 0.22 1.06 0.00 0.00 176.91 178.64 2k5l h ASP 30 N 0.08 0.64 1.48 1.22 3.58 0.31 -1.78 116.42 121.95 2k5l h ASP 30 Ca 0.01 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2k5l h ASP 30 Cb 0.63 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2k5l h ASP 30 CO 0.05 0.67 0.00 0.24 -2.88 0.00 0.00 179.24 177.32 2k5l h MET 31 N 0.66 0.00 0.00 0.28 2.86 -1.08 -3.46 114.93 114.18 2k5l h MET 31 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2k5l h MET 31 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2k5l h MET 31 CO 0.01 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.39 2k5l n GLY 32 N 0.83 0.93 3.38 8.32 0.00 -0.67 -5.09 105.19 112.89 2k5l n GLY 32 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 2k5l n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k5l s ILE 33 N -1.10 5.09 0.36 -0.61 1.01 -0.75 -4.89 121.20 120.31 2k5l s ILE 33 Ca 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 59.68 2k5l s ILE 33 Cb 0.00 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 2k5l s ILE 33 CO 0.00 -0.77 0.08 0.28 0.00 0.00 0.00 174.94 174.53 2k5l s THR 34 N 2.02 0.96 0.37 2.92 -1.32 -1.26 -2.21 115.64 117.11 2k5l s THR 34 Ca 0.07 -2.00 -0.27 0.00 -1.21 0.00 0.00 61.69 58.29 2k5l s THR 34 Cb -0.24 -2.61 -0.09 0.00 -1.51 0.00 0.00 72.50 68.05 2k5l s THR 34 CO 0.07 0.00 1.23 0.00 -2.21 0.00 0.00 174.62 173.71 2k5l s ARG 35 N -3.84 4.17 0.00 7.08 1.70 -1.26 -2.61 118.95 124.19 2k5l s ARG 35 Ca 0.31 2.00 0.00 0.00 -0.47 0.00 0.00 55.73 57.57 2k5l s ARG 35 Cb 0.06 -2.85 0.00 0.00 -0.57 0.00 0.00 34.95 31.59 2k5l s ARG 35 CO 0.15 -0.27 0.00 0.41 -1.08 0.00 0.00 175.30 174.51 2k5l n GLY 36 N 0.75 3.35 3.81 3.88 0.00 0.43 -4.97 105.19 112.44 2k5l n GLY 36 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2k5l n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5l s GLU 38 N -2.98 4.33 -0.16 0.00 -1.05 -1.26 -1.84 118.70 115.74 2k5l s GLU 38 Ca 0.61 0.79 -0.00 0.00 -0.15 0.00 0.00 54.97 56.21 2k5l s GLU 38 Cb -0.13 -3.33 0.04 0.00 -0.44 0.00 0.00 34.13 30.27 2k5l s GLU 38 CO 0.17 0.40 -0.07 0.42 0.95 0.00 0.00 175.26 177.12 2k5l s ILE 39 N -0.32 1.22 -0.13 1.83 -1.09 0.23 -4.50 121.20 118.44 2k5l s ILE 39 Ca 0.32 -0.62 -0.01 0.00 -2.23 0.00 0.00 60.65 58.11 2k5l s ILE 39 Cb -0.19 -1.32 -0.02 0.00 -1.58 0.00 0.00 42.46 39.35 2k5l s ILE 39 CO 0.18 0.21 -0.11 -0.72 -1.23 0.00 0.00 174.94 173.28 2k5l s TYR 40 N 1.60 2.86 -0.34 3.97 -0.85 -1.25 -0.02 117.35 123.32 2k5l s TYR 40 Ca 0.02 -0.52 -0.29 0.00 -0.52 0.00 0.00 57.07 55.76 2k5l s TYR 40 Cb -0.15 -1.86 -0.00 0.00 0.38 0.00 0.00 41.96 40.33 2k5l s TYR 40 CO -0.08 -0.13 1.51 0.42 -1.52 0.00 0.00 175.55 175.75 2k5l s ILE 41 N 0.27 3.81 -0.14 -3.49 1.09 -1.09 -2.60 121.20 119.06 2k5l s ILE 41 Ca -0.08 0.87 -0.12 0.00 -1.10 0.00 0.00 60.65 60.22 2k5l s ILE 41 Cb -0.15 -3.98 -0.08 0.00 -1.06 0.00 0.00 42.46 37.19 2k5l s ILE 41 CO 0.05 -0.55 0.05 -0.09 -0.10 0.00 0.00 174.94 174.30 2k5l h ARG 42 N 10.90 0.00 -3.12 2.79 1.12 -1.68 0.94 114.38 125.33 2k5l h ARG 42 Ca -0.30 0.00 -0.28 0.00 -1.11 0.00 0.00 59.98 58.29 2k5l h ARG 42 Cb 1.13 0.00 -0.35 0.00 -0.01 0.00 0.00 29.97 30.74 2k5l h ARG 42 CO 1.05 0.32 -0.63 0.21 -3.11 0.00 0.00 179.97 177.81 2k5l s LYS 43 N -2.09 0.05 -0.19 0.20 2.20 0.30 -4.78 119.74 115.42 2k5l s LYS 43 Ca -0.14 0.52 -0.05 0.00 -0.36 0.00 0.00 55.97 55.94 2k5l s LYS 43 Cb 0.02 -0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.06 2k5l s LYS 43 CO 0.29 -0.28 -0.00 0.08 -0.36 0.00 0.00 175.35 175.08 2k5l s VAL 44 N 2.05 3.98 0.50 4.02 1.01 -1.26 0.09 120.40 130.79 2k5l s VAL 44 Ca 0.00 -0.31 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 2k5l s VAL 44 Cb -0.12 -2.79 -0.06 0.00 0.00 0.00 0.00 36.38 33.41 2k5l s VAL 44 CO -0.06 0.44 1.30 0.00 0.00 0.00 0.00 175.10 176.78 2k5l s ALA 45 N 0.84 2.94 0.29 5.51 0.00 -1.03 -4.90 121.76 125.41 2k5l s ALA 45 Ca 0.01 1.21 -0.01 0.00 0.00 0.00 0.00 51.96 53.17 2k5l s ALA 45 Cb -0.14 -3.50 0.66 0.00 0.00 0.00 0.00 23.12 20.13 2k5l s ALA 45 CO 0.02 -1.08 1.60 -1.35 0.00 0.00 0.00 175.76 174.95 2k5l h PRO 46 N 1.83 0.07 -0.17 0.00 0.10 -1.91 0.22 132.00 132.14 2k5l h PRO 46 Ca -0.50 -0.00 -0.14 0.00 0.10 0.00 0.00 66.00 65.45 2k5l h PRO 46 Cb 1.28 -0.02 -0.01 0.00 0.10 0.00 0.00 31.00 32.35 2k5l h PRO 46 CO 0.59 0.04 -0.51 1.25 0.10 0.00 0.00 178.00 179.48 2k5l h LEU 47 N 0.07 0.51 0.00 2.35 7.12 -1.95 -3.47 115.31 119.94 2k5l h LEU 47 Ca 0.54 -0.26 0.00 0.00 0.13 0.00 0.00 57.88 58.29 2k5l h LEU 47 Cb 1.07 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.06 2k5l h LEU 47 CO -0.81 0.93 0.00 0.61 -0.13 0.00 0.00 178.44 179.04 2k5l n GLY 48 N 0.13 1.02 2.74 3.75 0.00 0.78 -5.09 105.19 108.52 2k5l n GLY 48 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 2k5l n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5l s ASP 49 N -0.98 0.82 0.71 1.61 -1.08 -1.26 -4.36 116.67 112.14 2k5l s ASP 49 Ca 0.00 0.03 -0.03 0.00 -0.52 0.00 0.00 52.55 52.03 2k5l s ASP 49 Cb 0.00 -0.18 0.11 0.00 -1.46 0.00 0.00 42.92 41.38 2k5l s ASP 49 CO 0.00 -0.18 0.71 -0.81 0.52 0.00 0.00 175.17 175.40 2k5l n PRO 50 N 4.79 -0.10 -4.22 4.34 -0.04 -1.26 -4.79 135.00 133.71 2k5l n PRO 50 Ca -0.14 -1.67 -0.33 0.00 -0.04 0.00 0.00 63.50 61.32 2k5l n PRO 50 Cb 0.50 -0.55 -0.16 0.00 -0.04 0.00 0.00 33.50 33.25 2k5l n PRO 50 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2k5l s ILE 51 N -2.18 2.22 -0.33 0.52 1.01 0.58 -2.45 121.20 120.58 2k5l s ILE 51 Ca 0.45 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 60.04 2k5l s ILE 51 Cb -0.02 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 2k5l s ILE 51 CO 0.30 0.53 0.42 -1.58 0.00 0.00 0.00 174.94 174.61 2k5l s GLN 52 N 1.19 3.71 0.09 2.79 0.74 0.11 -1.43 119.66 126.86 2k5l s GLN 52 Ca 0.02 -0.20 0.09 0.00 0.05 0.00 0.00 55.36 55.33 2k5l s GLN 52 Cb -0.14 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 2k5l s GLN 52 CO -0.09 -0.50 -0.23 0.96 -0.55 0.00 0.00 175.29 174.87 2k5l s ILE 53 N 2.17 1.91 -0.38 -2.34 -5.25 0.22 -0.54 121.20 116.99 2k5l s ILE 53 Ca 0.15 -1.53 -0.15 0.00 -0.99 0.00 0.00 60.65 58.13 2k5l s ILE 53 Cb -0.16 -1.70 0.00 0.00 2.95 0.00 0.00 42.46 43.56 2k5l s ILE 53 CO 0.12 0.07 0.36 0.21 -1.79 0.00 0.00 174.94 173.91 2k5l s ASN 54 N -1.75 6.16 -0.15 4.36 3.84 -1.07 0.02 114.94 126.35 2k5l s ASN 54 Ca 0.09 -0.49 0.02 0.00 0.21 0.00 0.00 52.86 52.69 2k5l s ASN 54 Cb -0.10 -2.19 0.01 0.00 -0.55 0.00 0.00 41.25 38.42 2k5l s ASN 54 CO 0.04 -0.42 -0.21 -0.69 -2.79 0.00 0.00 177.10 173.04 2k5l s VAL 55 N 1.96 2.14 -0.29 -5.21 1.01 0.11 -3.82 120.40 116.31 2k5l s VAL 55 Ca 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2k5l s VAL 55 Cb -0.17 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.34 2k5l s VAL 55 CO 0.12 0.54 0.00 0.54 0.00 0.00 0.00 175.10 176.30 2k5l n ARG 56 N 4.13 -1.21 0.00 2.72 5.12 -1.26 -0.72 116.66 125.44 2k5l n ARG 56 Ca -0.20 0.46 0.00 0.00 -1.93 0.00 0.00 57.85 56.18 2k5l n ARG 56 Cb 0.51 -4.44 0.00 0.00 -1.16 0.00 0.00 32.46 27.37 2k5l n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k5l n GLY 57 N -0.61 1.81 3.74 -0.13 0.00 -1.26 -5.06 105.19 103.68 2k5l n GLY 57 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 2k5l n GLY 57 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2k5l s TYR 58 N -2.50 3.41 -0.13 1.61 5.04 0.11 -5.05 117.35 119.84 2k5l s TYR 58 Ca 0.00 0.32 -0.27 0.00 -2.44 0.00 0.00 57.07 54.68 2k5l s TYR 58 Cb 0.00 -2.08 -0.01 0.00 0.35 0.00 0.00 41.96 40.21 2k5l s TYR 58 CO 0.00 0.37 0.91 -1.83 -1.34 0.00 0.00 175.55 173.66 2k5l s GLU 59 N 0.01 4.36 0.18 4.97 1.03 -1.26 0.09 118.70 128.08 2k5l s GLU 59 Ca 0.09 1.19 0.10 0.00 0.03 0.00 0.00 54.97 56.38 2k5l s GLU 59 Cb -0.11 -3.55 -0.04 0.00 -0.80 0.00 0.00 34.13 29.62 2k5l s GLU 59 CO -0.00 -0.30 -0.17 -0.51 -1.33 0.00 0.00 175.26 172.94 2k5l s LEU 60 N 2.03 2.68 -0.29 1.83 1.43 0.10 -4.95 118.68 121.51 2k5l s LEU 60 Ca 0.43 -0.71 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2k5l s LEU 60 Cb -0.17 -1.42 0.07 0.00 0.03 0.00 0.00 46.19 44.70 2k5l s LEU 60 CO 0.15 0.12 -0.05 -0.55 0.23 0.00 0.00 176.35 176.25 2k5l s SER 61 N -2.64 4.60 -0.04 2.29 0.15 -1.26 -0.61 113.70 116.20 2k5l s SER 61 Ca 0.22 -1.54 -0.00 0.00 0.70 0.00 0.00 55.95 55.32 2k5l s SER 61 Cb -0.09 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.59 2k5l s SER 61 CO 0.12 -0.25 0.02 -0.76 1.20 0.00 0.00 173.24 173.57 2k5l s LEU 62 N 1.09 3.62 0.69 3.45 1.43 -0.52 -4.92 118.68 123.51 2k5l s LEU 62 Ca -0.04 0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 2k5l s LEU 62 Cb -0.20 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.04 2k5l s LEU 62 CO -0.05 0.32 1.07 -0.13 0.23 0.00 0.00 176.35 177.79 2k5l s ARG 63 N -1.32 2.88 0.34 1.70 0.52 -1.26 -0.31 118.95 121.51 2k5l s ARG 63 Ca 0.18 1.06 0.08 0.00 -0.52 0.00 0.00 55.73 56.53 2k5l s ARG 63 Cb -0.12 -1.98 0.80 0.00 0.52 0.00 0.00 34.95 34.18 2k5l s ARG 63 CO 0.08 -1.15 1.85 1.57 0.02 0.00 0.00 175.30 177.67 2k5l h LYS 64 N -0.55 0.69 -0.93 3.54 2.10 -1.93 -1.11 116.57 118.38 2k5l h LYS 64 Ca -0.44 -0.04 0.08 0.00 -2.00 0.00 0.00 60.65 58.25 2k5l h LYS 64 Cb 1.22 -0.16 -0.07 0.00 -0.90 0.00 0.00 32.23 32.32 2k5l h LYS 64 CO 0.56 0.46 0.58 0.77 -2.00 0.00 0.00 179.45 179.82 2k5l h SER 65 N 0.71 0.89 0.46 7.07 0.02 -1.94 1.00 113.55 121.76 2k5l h SER 65 Ca 0.48 0.03 -0.21 0.00 -0.84 0.00 0.00 61.79 61.25 2k5l h SER 65 Cb 0.77 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2k5l h SER 65 CO -0.24 0.54 -0.89 0.00 -1.14 0.00 0.00 176.83 175.10 2k5l h ALA 66 N 1.46 0.47 0.00 3.77 0.00 -1.58 -3.20 119.26 120.18 2k5l h ALA 66 Ca 0.43 -0.71 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 2k5l h ALA 66 Cb 0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2k5l h ALA 66 CO -0.21 0.86 -0.59 0.00 0.00 0.00 0.00 179.25 179.31 2k5l h ALA 67 N 0.88 1.02 0.00 0.00 0.00 -0.87 -2.75 119.26 117.54 2k5l h ALA 67 Ca -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2k5l h ALA 67 Cb 1.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2k5l h ALA 67 CO 0.14 0.73 0.00 0.39 0.00 0.00 0.00 179.25 180.52 2k5l n GLU 68 N -3.82 0.14 -0.15 0.00 1.02 0.24 -2.51 120.64 115.55 2k5l n GLU 68 Ca -0.01 0.36 0.07 0.00 -0.02 0.00 0.00 57.16 57.57 2k5l n GLU 68 Cb 0.59 -1.76 0.15 0.00 -0.02 0.00 0.00 31.44 30.40 2k5l n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k5l n MET 69 N -2.02 2.19 -3.46 3.49 0.00 -1.04 -4.92 117.12 111.35 2k5l n MET 69 Ca 0.03 -1.93 -0.39 0.00 0.00 0.00 0.00 57.70 55.40 2k5l n MET 69 Cb 0.22 -1.33 -0.10 0.00 0.00 0.00 0.00 33.22 32.01 2k5l n MET 69 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2k5l s ILE 70 N -1.09 5.22 -0.26 3.17 -1.09 -1.05 0.26 121.20 126.37 2k5l s ILE 70 Ca 0.26 0.22 -0.17 0.00 -2.23 0.00 0.00 60.65 58.73 2k5l s ILE 70 Cb 0.15 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 37.31 2k5l s ILE 70 CO 0.20 0.09 0.49 -0.70 -1.23 0.00 0.00 174.94 173.80 2k5l s GLU 71 N 1.93 4.06 0.24 2.79 2.56 0.37 -3.25 118.70 127.40 2k5l s GLU 71 Ca 0.11 0.28 0.07 0.00 0.00 0.00 0.00 54.97 55.43 2k5l s GLU 71 Cb -0.16 -3.65 -0.05 0.00 2.00 0.00 0.00 34.13 32.27 2k5l s GLU 71 CO 0.11 -0.34 -0.10 0.14 -0.56 0.00 0.00 175.26 174.52 2k5l s VAL 72 N 2.26 1.64 0.11 3.70 -7.23 -0.27 -1.25 120.40 119.36 2k5l s VAL 72 Ca 0.20 -2.16 0.08 0.00 -1.81 0.00 0.00 61.98 58.29 2k5l s VAL 72 Cb -0.16 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 2k5l s VAL 72 CO 0.09 -0.45 -0.19 -1.83 -0.31 0.00 0.00 175.10 172.41 2k5l s GLU 73 N -3.70 1.11 -0.19 4.82 -1.05 0.11 -4.63 118.70 115.17 2k5l s GLU 73 Ca 0.26 -1.19 -0.23 0.00 -0.15 0.00 0.00 54.97 53.66 2k5l s GLU 73 Cb 0.02 -1.28 -0.02 0.00 -0.44 0.00 0.00 34.13 32.41 2k5l s GLU 73 CO 0.09 0.29 0.72 -0.51 0.95 0.00 0.00 175.26 176.79 2k5l s LEU 74 N -2.08 4.15 0.56 1.83 2.01 -1.26 -0.40 118.68 123.48 2k5l s LEU 74 Ca 0.07 0.97 0.28 0.00 0.01 0.00 0.00 54.13 55.46 2k5l s LEU 74 Cb -0.09 -3.04 1.62 0.00 0.01 0.00 0.00 46.19 44.70 2k5l s LEU 74 CO 0.04 -0.33 2.17 -0.08 1.01 0.00 0.00 176.35 179.16 2k5l h GLU 75 N 7.44 0.00 -3.37 1.70 4.81 -1.92 -3.02 114.58 120.22 2k5l h GLU 75 Ca -0.30 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.29 2k5l h GLU 75 Cb 1.14 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.11 2k5l h GLU 75 CO 0.80 0.06 -0.61 -1.01 -0.73 0.00 0.00 179.01 177.52 2k5l s HIS 76 N -4.48 3.22 0.34 0.92 3.76 -1.26 -5.10 115.29 112.68 2k5l s HIS 76 Ca -0.04 -3.16 -0.29 0.00 -0.15 0.00 0.00 55.06 51.42 2k5l s HIS 76 Cb 0.14 -2.84 -0.11 0.00 1.11 0.00 0.00 32.58 30.89 2k5l s HIS 76 CO 0.57 -0.74 1.44 -3.38 -0.85 0.00 0.00 174.74 171.79 2k5l s HIS 77 N -0.35 2.79 -0.50 1.40 -3.43 -1.14 -4.87 115.29 109.18 2k5l s HIS 77 Ca 0.17 1.17 -0.27 0.00 -0.80 0.00 0.00 55.06 55.33 2k5l s HIS 77 Cb -0.24 -3.91 -0.01 0.00 -1.43 0.00 0.00 32.58 26.99 2k5l s HIS 77 CO -0.01 -2.71 1.73 -1.01 -2.00 0.00 0.00 174.74 170.74 2k5l s HIS 78 N -0.86 1.87 -0.93 0.38 3.76 -1.26 -4.92 115.29 113.33 2k5l s HIS 78 Ca 0.54 0.67 -0.24 0.00 -0.15 0.00 0.00 55.06 55.88 2k5l s HIS 78 Cb -0.44 -4.17 0.02 0.00 1.11 0.00 0.00 32.58 29.10 2k5l s HIS 78 CO 0.56 -2.42 1.57 -1.58 -0.85 0.00 0.00 174.74 172.02 2k5l s HIS 79 N 7.61 2.28 -1.11 1.40 5.04 -1.26 -4.92 115.29 124.33 2k5l s HIS 79 Ca 0.68 -0.30 -0.20 0.00 -1.54 0.00 0.00 55.06 53.70 2k5l s HIS 79 Cb -0.15 -4.50 0.09 0.00 0.04 0.00 0.00 32.58 28.05 2k5l s HIS 79 CO 0.26 -1.93 1.47 -1.58 -2.34 0.00 0.00 174.74 170.62 2k5l s HIS 80 N 6.50 2.85 0.00 3.88 2.46 -1.26 -5.33 115.29 124.38 2k5l s HIS 80 Ca 0.51 -1.34 0.00 0.00 0.47 0.00 0.00 55.06 54.70 2k5l s HIS 80 Cb -0.03 -4.58 0.00 0.00 -0.13 0.00 0.00 32.58 27.83 2k5l s HIS 80 CO -0.03 -1.74 0.00 1.58 -2.47 0.00 0.00 174.74 172.08