#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 3.22 0.41 3.17 2.19 -1.26 -5.09 117.98 120.62 2k5l s PHE 2 Ca 0.00 -1.43 -0.11 0.00 0.33 0.00 0.00 56.93 55.72 2k5l s PHE 2 Cb 0.00 -2.23 -0.06 0.00 -1.31 0.00 0.00 43.02 39.42 2k5l s PHE 2 CO 0.00 -0.71 0.78 -1.12 1.83 0.00 0.00 175.22 176.00 2k5l s SER 3 N 1.39 6.53 0.50 6.13 0.01 -1.25 -1.79 113.70 125.21 2k5l s SER 3 Ca -0.01 1.16 0.16 0.00 1.31 0.00 0.00 55.95 58.57 2k5l s SER 3 Cb -0.19 -2.34 1.19 0.00 0.21 0.00 0.00 66.02 64.90 2k5l s SER 3 CO 0.02 -0.41 2.10 0.25 0.41 0.00 0.00 173.24 175.60 2k5l h LEU 4 N 1.24 0.00 0.00 2.44 5.85 -0.12 -2.14 115.31 122.59 2k5l h LEU 4 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2k5l h LEU 4 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2k5l h LEU 4 CO 0.64 0.07 0.00 -2.11 -0.34 0.00 0.00 178.44 176.69 2k5l n ARG 5 N -4.43 0.16 0.02 1.25 -4.01 -0.95 -2.13 116.66 106.56 2k5l n ARG 5 Ca -0.03 0.18 0.12 0.00 -1.04 0.00 0.00 57.85 57.08 2k5l n ARG 5 Cb 0.15 -1.50 0.20 0.00 -3.04 0.00 0.00 32.46 28.27 2k5l n ARG 5 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 2k5l n ASP 6 N -1.32 0.57 -4.91 2.89 -0.08 -0.80 -4.87 116.55 108.02 2k5l n ASP 6 Ca 0.06 -0.16 -0.27 0.00 -1.51 0.00 0.00 54.79 52.91 2k5l n ASP 6 Cb 0.11 0.30 -0.02 0.00 2.34 0.00 0.00 41.12 43.85 2k5l n ASP 6 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k5l s ALA 7 N -3.07 3.53 0.50 -1.67 0.00 -0.91 -5.10 121.76 115.04 2k5l s ALA 7 Ca 0.09 -0.57 0.04 0.00 0.00 0.00 0.00 51.96 51.52 2k5l s ALA 7 Cb 0.16 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 2k5l s ALA 7 CO 0.72 -0.04 0.16 0.15 0.00 0.00 0.00 175.76 176.75 2k5l s LYS 8 N -4.14 2.20 0.34 0.00 3.01 -1.26 -4.97 119.74 114.92 2k5l s LYS 8 Ca 0.45 -2.16 -0.28 0.00 -1.01 0.00 0.00 55.97 52.96 2k5l s LYS 8 Cb -0.10 -1.79 -0.10 0.00 -1.01 0.00 0.00 37.83 34.82 2k5l s LYS 8 CO 0.36 -0.37 1.32 0.00 0.51 0.00 0.00 175.35 177.17 2k5l n GLY 10 N 0.76 0.60 3.64 0.00 0.00 0.18 -4.98 105.19 105.39 2k5l n GLY 10 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.15 2.60 -0.25 1.61 -0.21 -1.15 -4.93 119.66 117.17 2k5l s GLN 11 Ca 0.00 -0.74 -0.09 0.00 0.02 0.00 0.00 55.36 54.55 2k5l s GLN 11 Cb 0.00 -2.55 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 2k5l s GLN 11 CO 0.00 0.59 0.13 0.99 -2.12 0.00 0.00 175.29 174.88 2k5l s THR 12 N -1.12 4.93 0.15 -0.19 2.01 -1.26 -1.85 115.64 118.30 2k5l s THR 12 Ca 0.20 0.04 0.11 0.00 0.31 0.00 0.00 61.69 62.35 2k5l s THR 12 Cb -0.11 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 2k5l s THR 12 CO 0.11 0.31 -0.25 0.68 -0.69 0.00 0.00 174.62 174.79 2k5l s VAL 13 N 1.48 2.39 -0.14 3.82 -7.23 0.32 -0.70 120.40 120.33 2k5l s VAL 13 Ca 0.06 -1.80 -0.04 0.00 -1.81 0.00 0.00 61.98 58.40 2k5l s VAL 13 Cb -0.15 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 2k5l s VAL 13 CO 0.07 0.03 0.00 -0.54 -0.31 0.00 0.00 175.10 174.35 2k5l s LYS 14 N -2.26 3.53 -0.36 4.82 1.02 0.49 0.25 119.74 127.22 2k5l s LYS 14 Ca 0.17 -0.43 -0.28 0.00 0.02 0.00 0.00 55.97 55.44 2k5l s LYS 14 Cb -0.09 -2.95 0.02 0.00 -0.52 0.00 0.00 37.83 34.28 2k5l s LYS 14 CO 0.08 0.41 1.05 0.08 -0.92 0.00 0.00 175.35 176.04 2k5l s VAL 15 N -0.06 4.47 -0.16 3.17 1.01 -0.51 -1.51 120.40 126.81 2k5l s VAL 15 Ca 0.03 1.50 0.01 0.00 0.00 0.00 0.00 61.98 63.53 2k5l s VAL 15 Cb -0.13 -4.43 -0.11 0.00 0.00 0.00 0.00 36.38 31.71 2k5l s VAL 15 CO 0.02 -0.60 -0.14 1.33 0.00 0.00 0.00 175.10 175.71 2k5l n VAL 16 N 6.09 0.94 -4.02 2.92 0.24 -0.45 0.49 118.33 124.54 2k5l n VAL 16 Ca 0.11 -0.36 -0.17 0.00 -2.04 0.00 0.00 64.34 61.88 2k5l n VAL 16 Cb 0.48 -1.08 -0.16 0.00 -1.47 0.00 0.00 33.84 31.62 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 -2.33 0.39 -0.25 7.34 2.47 -1.11 -4.77 119.74 121.48 2k5l s LYS 17 Ca -0.22 -0.02 -0.06 0.00 -1.56 0.00 0.00 55.97 54.10 2k5l s LYS 17 Cb 0.06 -0.48 -0.01 0.00 -1.46 0.00 0.00 37.83 35.94 2k5l s LYS 17 CO 0.38 -0.05 0.04 -0.51 0.16 0.00 0.00 175.35 175.37 2k5l s LEU 18 N 0.63 3.39 0.53 5.43 1.43 -1.26 -0.45 118.68 128.37 2k5l s LEU 18 Ca -0.07 -0.40 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 2k5l s LEU 18 Cb -0.10 -1.86 0.06 0.00 0.03 0.00 0.00 46.19 44.33 2k5l s LEU 18 CO -0.01 -0.07 0.73 -1.00 0.23 0.00 0.00 176.35 176.23 2k5l s HIS 19 N 1.54 1.87 0.00 0.29 3.76 -0.87 -5.00 115.29 116.88 2k5l s HIS 19 Ca 0.05 -0.61 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 2k5l s HIS 19 Cb -0.15 -2.29 0.00 0.00 1.11 0.00 0.00 32.58 31.25 2k5l s HIS 19 CO 0.01 -0.94 0.00 0.41 -0.85 0.00 0.00 174.74 173.38 2k5l n GLY 20 N -2.14 3.26 3.48 -2.22 0.00 -1.26 -4.47 105.19 101.85 2k5l n GLY 20 Ca 0.13 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 2k5l n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k5l n THR 21 N -0.91 4.11 0.00 2.61 -1.04 -1.26 -4.72 114.28 113.06 2k5l n THR 21 Ca 0.00 -4.42 0.00 0.00 -2.04 0.00 0.00 64.05 57.59 2k5l n THR 21 Cb 0.00 -2.42 0.00 0.00 -1.82 0.00 0.00 70.33 66.09 2k5l n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k5l n GLY 22 N 4.61 0.73 0.33 3.41 0.00 -1.26 -3.90 105.19 109.12 2k5l n GLY 22 Ca 0.42 0.31 -0.01 0.00 0.00 0.00 0.00 46.02 46.75 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 -0.39 1.17 -0.48 4.61 0.00 -2.00 -1.45 119.26 120.73 2k5l h ALA 23 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 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 0.39 0.26 1.25 0.00 0.00 0.00 179.25 181.15 2k5l h LEU 24 N 1.08 0.40 -0.50 0.00 5.85 -1.90 -1.45 115.31 118.79 2k5l h LEU 24 Ca 0.36 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.13 2k5l h LEU 24 Cb 0.04 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2k5l h LEU 24 CO -0.13 0.28 0.27 0.11 -0.34 0.00 0.00 178.44 178.64 2k5l h LYS 25 N 0.52 0.52 -0.56 1.25 1.57 -1.51 -0.71 116.57 117.64 2k5l h LYS 25 Ca 0.20 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2k5l h LYS 25 Cb 0.07 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2k5l h LYS 25 CO -0.12 0.34 0.29 -0.09 -0.57 0.00 0.00 179.45 179.30 2k5l h ARG 26 N 0.54 0.79 -0.82 3.15 2.43 -0.92 0.66 114.38 120.21 2k5l h ARG 26 Ca 0.21 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2k5l h ARG 26 Cb 0.09 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 2k5l h ARG 26 CO -0.13 0.63 0.38 -0.09 -1.51 0.00 0.00 179.97 179.25 2k5l h ARG 27 N 0.76 1.20 -0.02 0.20 2.43 -0.82 0.33 114.38 118.45 2k5l h ARG 27 Ca 0.19 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k5l h ARG 27 Cb 0.08 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 2k5l h ARG 27 CO -0.03 0.94 -0.00 0.82 -1.51 0.00 0.00 179.97 180.19 2k5l h ILE 28 N 1.18 1.27 -0.21 1.20 2.04 -0.72 -3.00 117.51 119.27 2k5l h ILE 28 Ca 0.28 -0.81 -0.08 0.00 1.00 0.00 0.00 64.86 65.25 2k5l h ILE 28 Cb 0.15 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2k5l h ILE 28 CO -0.03 0.22 -0.21 0.24 0.00 0.00 0.00 178.15 178.36 2k5l h MET 29 N -0.28 0.38 -0.65 2.37 2.86 -0.65 -2.61 114.93 116.35 2k5l h MET 29 Ca 0.01 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2k5l h MET 29 Cb 0.35 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 2k5l h MET 29 CO 0.00 0.58 0.40 0.22 1.06 0.00 0.00 176.91 179.17 2k5l h ASP 30 N 0.34 0.77 1.00 1.22 3.58 -0.31 -1.96 116.42 121.05 2k5l h ASP 30 Ca 0.06 -0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 2k5l h ASP 30 Cb 0.57 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2k5l h ASP 30 CO 0.04 0.58 -0.29 0.24 -2.88 0.00 0.00 179.24 176.94 2k5l h MET 31 N 0.89 0.00 0.00 0.28 2.86 -1.33 -3.46 114.93 114.17 2k5l h MET 31 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2k5l h MET 31 Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.61 2k5l h MET 31 CO -0.05 0.29 0.00 0.41 1.06 0.00 0.00 176.91 178.62 2k5l n GLY 32 N 0.31 1.45 3.60 8.32 0.00 -0.74 -5.01 105.19 113.12 2k5l n GLY 32 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.74 3.45 0.19 -0.61 1.01 -1.08 -4.95 121.20 118.46 2k5l s ILE 33 Ca 0.00 0.46 0.02 0.00 0.00 0.00 0.00 60.65 61.13 2k5l s ILE 33 Cb 0.00 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 2k5l s ILE 33 CO 0.00 -0.35 0.02 0.42 0.00 0.00 0.00 174.94 175.03 2k5l s THR 34 N 6.75 0.65 -0.22 2.92 -4.23 -1.26 -3.34 115.64 116.92 2k5l s THR 34 Ca 0.81 -1.98 -0.29 0.00 -1.18 0.00 0.00 61.69 59.05 2k5l s THR 34 Cb -0.24 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 2k5l s THR 34 CO 0.34 -0.40 1.72 -0.13 -0.54 0.00 0.00 174.62 175.60 2k5l s ARG 35 N -3.94 3.70 0.00 3.99 0.52 -1.26 -2.12 118.95 119.84 2k5l s ARG 35 Ca 0.26 1.73 0.00 0.00 -0.52 0.00 0.00 55.73 57.20 2k5l s ARG 35 Cb 0.06 -4.10 0.00 0.00 0.52 0.00 0.00 34.95 31.44 2k5l s ARG 35 CO 0.06 -1.42 0.00 0.41 0.02 0.00 0.00 175.30 174.37 2k5l n GLY 36 N 4.85 0.55 3.79 -3.53 0.00 0.18 -5.00 105.19 106.04 2k5l n GLY 36 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.21 3.98 -0.13 0.00 -1.05 -1.26 -1.43 118.70 117.60 2k5l s GLU 38 Ca 0.34 -0.32 0.02 0.00 -0.15 0.00 0.00 54.97 54.86 2k5l s GLU 38 Cb -0.21 -3.47 0.01 0.00 -0.44 0.00 0.00 34.13 30.02 2k5l s GLU 38 CO 0.23 0.03 -0.20 0.42 0.95 0.00 0.00 175.26 176.69 2k5l s ILE 39 N 1.11 1.90 -0.16 1.83 1.01 0.14 -4.88 121.20 122.15 2k5l s ILE 39 Ca 0.07 -0.88 -0.13 0.00 0.00 0.00 0.00 60.65 59.70 2k5l s ILE 39 Cb -0.14 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2k5l s ILE 39 CO 0.05 0.52 0.27 -0.72 0.00 0.00 0.00 174.94 175.06 2k5l s TYR 40 N 0.91 3.47 -0.08 3.97 1.13 -1.25 -0.52 117.35 124.97 2k5l s TYR 40 Ca -0.06 0.58 -0.30 0.00 -1.41 0.00 0.00 57.07 55.88 2k5l s TYR 40 Cb -0.15 -2.30 -0.02 0.00 -1.10 0.00 0.00 41.96 38.40 2k5l s TYR 40 CO -0.03 0.29 1.00 0.42 -2.51 0.00 0.00 175.55 174.72 2k5l s ILE 41 N 0.32 4.80 -0.09 -3.49 1.01 -0.77 -2.68 121.20 120.29 2k5l s ILE 41 Ca 0.16 2.05 -0.25 0.00 0.00 0.00 0.00 60.65 62.61 2k5l s ILE 41 Cb -0.13 -4.32 -0.21 0.00 0.01 0.00 0.00 42.46 37.82 2k5l s ILE 41 CO 0.04 0.04 0.87 -0.09 0.00 0.00 0.00 174.94 175.79 2k5l h ARG 42 N 7.04 -0.04 -2.46 2.79 9.65 -0.39 0.51 114.38 131.48 2k5l h ARG 42 Ca -0.33 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.47 2k5l h ARG 42 Cb 1.16 0.01 -0.24 0.00 -1.39 0.00 0.00 29.97 29.51 2k5l h ARG 42 CO 0.83 0.66 -0.14 0.15 2.80 0.00 0.00 179.97 184.27 2k5l s LYS 43 N -2.93 0.56 -0.24 0.20 1.02 -0.77 -4.32 119.74 113.26 2k5l s LYS 43 Ca -0.16 0.81 -0.04 0.00 0.02 0.00 0.00 55.97 56.60 2k5l s LYS 43 Cb -0.01 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 2k5l s LYS 43 CO 0.60 -0.11 -0.02 0.08 -0.92 0.00 0.00 175.35 174.99 2k5l s VAL 44 N 0.76 3.41 0.40 3.17 1.01 -1.26 -0.08 120.40 127.81 2k5l s VAL 44 Ca -0.04 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 2k5l s VAL 44 Cb -0.05 -2.64 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 2k5l s VAL 44 CO -0.06 0.30 1.19 0.00 0.00 0.00 0.00 175.10 176.53 2k5l s ALA 45 N 1.45 3.19 -0.78 5.51 0.00 -1.20 -4.90 121.76 125.03 2k5l s ALA 45 Ca 0.04 1.02 0.11 0.00 0.00 0.00 0.00 51.96 53.12 2k5l s ALA 45 Cb -0.15 -3.40 0.50 0.00 0.00 0.00 0.00 23.12 20.07 2k5l s ALA 45 CO -0.02 -0.57 1.33 -2.30 0.00 0.00 0.00 175.76 174.19 2k5l n PRO 46 N 0.13 0.05 0.01 0.00 -0.02 -1.26 -0.72 135.00 133.19 2k5l n PRO 46 Ca 0.04 0.46 0.14 0.00 -2.02 0.00 0.00 63.50 62.12 2k5l n PRO 46 Cb 0.46 -1.64 0.55 0.00 -0.02 0.00 0.00 33.50 32.85 2k5l n PRO 46 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2k5l n LEU 47 N -1.74 0.13 0.00 2.45 4.77 -1.26 -4.89 117.00 116.46 2k5l n LEU 47 Ca 0.01 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2k5l n LEU 47 Cb 0.07 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2k5l n LEU 47 CO 0.07 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 2k5l n GLY 48 N 1.48 1.78 3.51 -0.72 0.00 0.10 -4.98 105.19 106.37 2k5l n GLY 48 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 2k5l n GLY 48 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k5l s ASP 49 N -2.31 -0.65 0.50 1.61 -4.77 -1.26 -4.00 116.67 105.80 2k5l s ASP 49 Ca 0.00 0.69 -0.10 0.00 -3.30 0.00 0.00 52.55 49.84 2k5l s ASP 49 Cb 0.00 0.54 -0.05 0.00 -1.09 0.00 0.00 42.92 42.31 2k5l s ASP 49 CO 0.00 -0.61 0.88 -2.16 0.70 0.00 0.00 175.17 173.97 2k5l s PRO 50 N -1.24 3.69 -0.28 2.11 0.04 -1.26 -4.74 135.00 133.32 2k5l s PRO 50 Ca -0.11 0.55 -0.10 0.00 0.04 0.00 0.00 61.00 61.38 2k5l s PRO 50 Cb -0.00 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 2k5l s PRO 50 CO 0.09 -0.26 0.16 0.42 0.04 0.00 0.00 177.00 177.45 2k5l s ILE 51 N -2.73 4.90 -0.37 0.56 1.01 0.20 -3.25 121.20 121.52 2k5l s ILE 51 Ca 0.52 -0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.90 2k5l s ILE 51 Cb -0.10 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 39.00 2k5l s ILE 51 CO 0.41 0.22 0.64 -1.10 0.00 0.00 0.00 174.94 175.10 2k5l s GLN 52 N 1.69 3.61 0.30 2.79 -1.52 0.89 -1.11 119.66 126.30 2k5l s GLN 52 Ca 0.06 -0.02 0.11 0.00 -1.95 0.00 0.00 55.36 53.56 2k5l s GLN 52 Cb -0.16 -3.83 -0.06 0.00 -0.22 0.00 0.00 33.01 28.74 2k5l s GLN 52 CO 0.08 -0.79 -0.16 0.96 -0.25 0.00 0.00 175.29 175.14 2k5l s ILE 53 N 2.73 2.32 -0.18 1.08 -4.36 -0.39 0.38 121.20 122.79 2k5l s ILE 53 Ca 0.24 -2.32 0.00 0.00 -0.26 0.00 0.00 60.65 58.31 2k5l s ILE 53 Cb -0.14 -2.41 0.04 0.00 1.25 0.00 0.00 42.46 41.20 2k5l s ILE 53 CO 0.16 -0.34 -0.08 0.21 0.24 0.00 0.00 174.94 175.13 2k5l s ASN 54 N -3.53 3.13 -0.00 4.36 3.84 -1.09 0.09 114.94 121.74 2k5l s ASN 54 Ca 0.30 -0.78 0.06 0.00 0.21 0.00 0.00 52.86 52.65 2k5l s ASN 54 Cb -0.02 -1.08 -0.02 0.00 -0.55 0.00 0.00 41.25 39.59 2k5l s ASN 54 CO 0.15 -0.16 -0.18 -0.69 -2.79 0.00 0.00 177.10 173.42 2k5l s VAL 55 N 1.51 1.45 0.00 -5.21 1.01 -0.72 -3.94 120.40 114.49 2k5l s VAL 55 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2k5l s VAL 55 Cb -0.16 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2k5l s VAL 55 CO -0.08 0.36 0.00 0.54 0.00 0.00 0.00 175.10 175.92 2k5l n ARG 56 N 2.49 0.00 -0.33 2.72 5.12 -1.26 -0.99 116.66 124.41 2k5l n ARG 56 Ca -0.15 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.76 2k5l n ARG 56 Cb 0.54 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.83 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 0.00 0.20 3.18 -0.13 0.00 -1.26 -5.15 105.19 102.03 2k5l n GLY 57 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 1.50 -0.43 1.61 6.14 -0.16 -5.10 117.35 120.90 2k5l s TYR 58 Ca 0.00 -0.32 -0.22 0.00 0.64 0.00 0.00 57.07 57.16 2k5l s TYR 58 Cb 0.00 -0.92 0.02 0.00 0.42 0.00 0.00 41.96 41.48 2k5l s TYR 58 CO 0.00 0.02 0.74 -1.21 0.64 0.00 0.00 175.55 175.75 2k5l s GLU 59 N -0.81 3.44 -0.20 4.97 2.02 -1.26 -1.76 118.70 125.10 2k5l s GLU 59 Ca 0.05 -0.11 -0.11 0.00 0.02 0.00 0.00 54.97 54.83 2k5l s GLU 59 Cb -0.07 -3.92 -0.05 0.00 0.10 0.00 0.00 34.13 30.19 2k5l s GLU 59 CO 0.01 -1.04 0.15 -0.51 0.02 0.00 0.00 175.26 173.89 2k5l s LEU 60 N 3.13 4.21 -0.49 1.80 1.43 0.11 -4.94 118.68 123.93 2k5l s LEU 60 Ca 0.28 0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 53.45 2k5l s LEU 60 Cb -0.13 -2.13 0.05 0.00 0.03 0.00 0.00 46.19 44.01 2k5l s LEU 60 CO 0.21 0.16 0.65 -0.44 0.23 0.00 0.00 176.35 177.16 2k5l s SER 61 N 0.41 6.25 0.09 2.29 0.01 -1.26 -1.26 113.70 120.23 2k5l s SER 61 Ca 0.09 -0.76 0.05 0.00 1.31 0.00 0.00 55.95 56.64 2k5l s SER 61 Cb -0.11 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2k5l s SER 61 CO -0.01 -0.89 -0.00 -0.22 0.41 0.00 0.00 173.24 172.53 2k5l s LEU 62 N 2.75 3.46 0.38 2.44 2.96 -0.27 -4.94 118.68 125.47 2k5l s LEU 62 Ca 0.17 -0.17 0.08 0.00 -0.22 0.00 0.00 54.13 53.99 2k5l s LEU 62 Cb -0.18 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 2k5l s LEU 62 CO 0.14 0.18 0.34 -0.13 -1.32 0.00 0.00 176.35 175.55 2k5l s ARG 63 N -2.29 2.60 0.53 1.98 0.52 -1.26 0.61 118.95 121.64 2k5l s ARG 63 Ca 0.26 -1.44 0.20 0.00 -0.52 0.00 0.00 55.73 54.22 2k5l s ARG 63 Cb -0.12 -2.41 1.35 0.00 0.52 0.00 0.00 34.95 34.30 2k5l s ARG 63 CO 0.18 -0.07 2.11 1.57 0.02 0.00 0.00 175.30 179.11 2k5l h LYS 64 N 1.13 0.00 -0.13 3.54 2.10 -1.97 -2.57 116.57 118.68 2k5l h LYS 64 Ca -0.43 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.27 2k5l h LYS 64 Cb 1.26 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.54 2k5l h LYS 64 CO 0.58 0.00 -0.20 0.77 -2.00 0.00 0.00 179.45 178.59 2k5l h SER 65 N 0.00 -0.63 0.12 7.07 0.02 -1.95 0.02 113.55 118.21 2k5l h SER 65 Ca 0.08 0.11 -0.26 0.00 -0.84 0.00 0.00 61.79 60.87 2k5l h SER 65 Cb 0.33 0.29 0.02 0.00 0.14 0.00 0.00 62.40 63.17 2k5l h SER 65 CO -0.00 -0.26 -1.06 0.00 -1.14 0.00 0.00 176.83 174.37 2k5l h ALA 66 N 0.73 0.16 0.00 3.77 0.00 -1.89 -3.23 119.26 118.80 2k5l h ALA 66 Ca 0.10 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 2k5l h ALA 66 Cb 0.41 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k5l h ALA 66 CO -0.28 0.73 -0.01 0.00 0.00 0.00 0.00 179.25 179.69 2k5l h ALA 67 N 0.47 1.04 0.00 0.00 0.00 -1.14 0.11 119.26 119.74 2k5l h ALA 67 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k5l h ALA 67 Cb 1.71 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2k5l h ALA 67 CO 0.20 0.02 -0.16 0.39 0.00 0.00 0.00 179.25 179.70 2k5l n GLU 68 N -3.16 0.05 0.00 0.00 -0.58 -0.04 -1.01 120.64 115.90 2k5l n GLU 68 Ca -0.02 0.03 0.01 0.00 -0.42 0.00 0.00 57.16 56.76 2k5l n GLU 68 Cb 0.17 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 2k5l n GLU 68 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 2k5l n MET 69 N -1.62 0.70 -3.35 3.49 1.56 0.27 -4.83 117.12 113.35 2k5l n MET 69 Ca 0.06 -0.49 -0.38 0.00 -0.27 0.00 0.00 57.70 56.62 2k5l n MET 69 Cb 0.36 -0.95 -0.06 0.00 2.15 0.00 0.00 33.22 34.71 2k5l n MET 69 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 2k5l s ILE 70 N -0.36 5.20 -0.32 1.12 1.01 -0.64 -2.04 121.20 125.16 2k5l s ILE 70 Ca 0.02 0.86 -0.18 0.00 0.00 0.00 0.00 60.65 61.35 2k5l s ILE 70 Cb 0.02 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 2k5l s ILE 70 CO 0.03 0.30 0.50 -0.70 0.00 0.00 0.00 174.94 175.08 2k5l s GLU 71 N 0.86 3.75 0.23 2.79 2.56 0.41 -1.65 118.70 127.65 2k5l s GLU 71 Ca 0.23 -0.03 0.04 0.00 0.00 0.00 0.00 54.97 55.21 2k5l s GLU 71 Cb -0.15 -3.76 -0.05 0.00 2.00 0.00 0.00 34.13 32.17 2k5l s GLU 71 CO 0.09 -0.55 -0.01 0.14 -0.56 0.00 0.00 175.26 174.37 2k5l s VAL 72 N 2.36 1.05 0.06 3.70 -7.23 -0.74 -1.34 120.40 118.25 2k5l s VAL 72 Ca 0.19 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.36 2k5l s VAL 72 Cb -0.15 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 2k5l s VAL 72 CO 0.12 -0.35 -0.11 -1.83 -0.31 0.00 0.00 175.10 172.63 2k5l s GLU 73 N -3.86 0.68 0.02 4.82 -1.05 -0.57 -4.71 118.70 114.03 2k5l s GLU 73 Ca 0.28 -0.89 -0.25 0.00 -0.15 0.00 0.00 54.97 53.96 2k5l s GLU 73 Cb 0.05 -0.53 -0.05 0.00 -0.44 0.00 0.00 34.13 33.17 2k5l s GLU 73 CO 0.08 0.11 0.77 -0.51 0.95 0.00 0.00 175.26 176.66 2k5l s LEU 74 N -1.76 4.41 0.52 1.83 2.01 -1.26 -0.38 118.68 124.05 2k5l s LEU 74 Ca -0.05 1.41 -0.17 0.00 0.01 0.00 0.00 54.13 55.34 2k5l s LEU 74 Cb -0.09 -3.24 -0.07 0.00 0.01 0.00 0.00 46.19 42.80 2k5l s LEU 74 CO 0.01 -0.04 0.99 -1.61 1.01 0.00 0.00 176.35 176.71 2k5l s GLU 75 N 0.25 3.88 -1.37 1.70 0.41 0.12 -3.86 118.70 119.83 2k5l s GLU 75 Ca 0.40 1.00 0.00 0.00 -0.41 0.00 0.00 54.97 55.95 2k5l s GLU 75 Cb -0.20 -2.12 0.00 0.00 -1.78 0.00 0.00 34.13 30.03 2k5l s GLU 75 CO 0.22 -0.33 0.00 1.58 -0.49 0.00 0.00 175.26 176.24 2k5l n HIS 76 N -1.60 -0.26 -2.76 1.61 -0.00 -1.26 -4.82 115.22 106.14 2k5l n HIS 76 Ca 0.07 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.90 2k5l n HIS 76 Cb 0.54 -2.69 -0.06 0.00 -0.12 0.00 0.00 29.99 27.66 2k5l n HIS 76 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2k5l s HIS 77 N -2.59 3.38 0.16 1.57 -3.43 -1.25 -4.84 115.29 108.29 2k5l s HIS 77 Ca 0.00 1.66 0.00 0.00 -0.80 0.00 0.00 55.06 55.92 2k5l s HIS 77 Cb 0.00 -2.92 0.00 0.00 -1.43 0.00 0.00 32.58 28.23 2k5l s HIS 77 CO 0.00 -0.14 0.00 1.58 -2.00 0.00 0.00 174.74 174.18 2k5l n HIS 78 N -0.29 -1.25 -2.00 0.38 -0.00 -1.26 -4.70 115.22 106.09 2k5l n HIS 78 Ca 0.06 0.67 -0.26 0.00 -0.00 0.00 0.00 57.72 58.19 2k5l n HIS 78 Cb 0.52 -1.61 -0.05 0.00 -0.00 0.00 0.00 29.99 28.85 2k5l n HIS 78 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5l s HIS 79 N -3.12 1.76 0.45 1.57 2.46 -1.26 -4.69 115.29 112.46 2k5l s HIS 79 Ca 0.00 0.75 0.00 0.00 0.47 0.00 0.00 55.06 56.28 2k5l s HIS 79 Cb 0.00 -3.97 0.00 0.00 -0.13 0.00 0.00 32.58 28.48 2k5l s HIS 79 CO 0.00 -1.63 0.00 -2.39 -2.47 0.00 0.00 174.74 168.25 2k5l n HIS 80 N 14.54 -3.66 1.70 3.88 -0.00 -1.26 -5.27 115.22 125.15 2k5l n HIS 80 Ca 0.41 1.96 0.15 0.00 -0.00 0.00 0.00 57.72 60.24 2k5l n HIS 80 Cb 0.47 -3.11 0.69 0.00 -0.00 0.00 0.00 29.99 28.04 2k5l n HIS 80 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06