#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 2.90 0.40 1.12 5.36 -1.26 -5.06 117.98 121.43 2k5l s PHE 2 Ca 0.00 -2.07 -0.17 0.00 -0.96 0.00 0.00 56.93 53.74 2k5l s PHE 2 Cb 0.00 -1.79 -0.09 0.00 -0.34 0.00 0.00 43.02 40.80 2k5l s PHE 2 CO 0.00 -0.83 0.85 -1.12 -1.46 0.00 0.00 175.22 172.65 2k5l s SER 3 N 1.23 6.77 0.55 6.13 0.01 -1.26 -0.57 113.70 126.56 2k5l s SER 3 Ca -0.07 1.43 0.31 0.00 1.31 0.00 0.00 55.95 58.93 2k5l s SER 3 Cb -0.19 -2.44 1.60 0.00 0.21 0.00 0.00 66.02 65.20 2k5l s SER 3 CO -0.06 -0.34 2.11 0.25 0.41 0.00 0.00 173.24 175.62 2k5l h LEU 4 N 1.81 0.00 -2.17 2.44 5.85 -0.66 -0.66 115.31 121.92 2k5l h LEU 4 Ca -0.48 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 2k5l h LEU 4 Cb 1.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 2k5l h LEU 4 CO 0.63 0.08 -0.05 0.08 -0.34 0.00 0.00 178.44 178.84 2k5l h ARG 5 N 0.00 0.00 -0.01 1.25 0.11 -1.45 -2.10 114.38 112.18 2k5l h ARG 5 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k5l h ARG 5 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 2k5l h ARG 5 CO 0.01 0.05 -0.05 -0.25 0.10 0.00 0.00 179.97 179.84 2k5l n ASP 6 N -3.39 1.21 -4.62 0.08 8.00 -0.25 -4.77 116.55 112.80 2k5l n ASP 6 Ca -0.02 -1.30 -0.41 0.00 0.71 0.00 0.00 54.79 53.77 2k5l n ASP 6 Cb 0.19 0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.26 2k5l n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k5l s ALA 7 N -2.11 3.58 0.54 2.24 0.00 -0.79 -5.04 121.76 120.18 2k5l s ALA 7 Ca 0.36 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.97 2k5l s ALA 7 Cb 0.21 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 20.14 2k5l s ALA 7 CO 0.38 -1.04 0.75 0.15 0.00 0.00 0.00 175.76 175.99 2k5l s LYS 8 N 2.80 2.53 0.10 0.00 3.01 -1.26 -4.90 119.74 122.03 2k5l s LYS 8 Ca 0.31 -0.94 -0.31 0.00 -1.01 0.00 0.00 55.97 54.03 2k5l s LYS 8 Cb -0.15 -2.54 -0.10 0.00 -1.01 0.00 0.00 37.83 34.03 2k5l s LYS 8 CO 0.10 -0.68 1.84 0.00 0.51 0.00 0.00 175.35 177.12 2k5l n GLY 10 N 4.27 0.02 3.93 0.00 0.00 0.28 -4.99 105.19 108.70 2k5l n GLY 10 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.00 3.54 -0.08 1.61 -0.21 -0.56 -4.64 119.66 118.32 2k5l s GLN 11 Ca 0.00 -0.20 0.02 0.00 0.02 0.00 0.00 55.36 55.21 2k5l s GLN 11 Cb 0.00 -2.66 0.01 0.00 1.00 0.00 0.00 33.01 31.37 2k5l s GLN 11 CO 0.00 0.17 -0.14 0.99 -2.12 0.00 0.00 175.29 174.19 2k5l s THR 12 N -2.23 1.33 0.43 -0.19 2.01 -1.26 -1.69 115.64 114.03 2k5l s THR 12 Ca 0.41 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.87 2k5l s THR 12 Cb -0.10 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 2k5l s THR 12 CO 0.34 0.40 0.10 0.68 -0.69 0.00 0.00 174.62 175.46 2k5l s VAL 13 N 0.74 0.73 -0.06 3.82 -7.23 0.12 -1.14 120.40 117.36 2k5l s VAL 13 Ca -0.13 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.05 2k5l s VAL 13 Cb -0.16 -2.33 0.02 0.00 0.56 0.00 0.00 36.38 34.47 2k5l s VAL 13 CO 0.03 0.00 -0.06 -0.75 -0.31 0.00 0.00 175.10 174.01 2k5l s LYS 14 N -3.74 1.12 -0.09 4.82 2.20 0.60 -0.03 119.74 124.62 2k5l s LYS 14 Ca 0.21 -0.18 -0.30 0.00 -0.36 0.00 0.00 55.97 55.35 2k5l s LYS 14 Cb 0.03 -1.11 -0.02 0.00 -1.51 0.00 0.00 37.83 35.22 2k5l s LYS 14 CO 0.13 -0.11 1.05 0.08 -0.36 0.00 0.00 175.35 176.14 2k5l s VAL 15 N 1.11 4.66 -0.07 4.02 1.01 -1.09 -0.51 120.40 129.53 2k5l s VAL 15 Ca -0.07 1.93 -0.01 0.00 0.00 0.00 0.00 61.98 63.83 2k5l s VAL 15 Cb -0.14 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2k5l s VAL 15 CO -0.01 0.01 -0.07 1.33 0.00 0.00 0.00 175.10 176.36 2k5l n VAL 16 N 4.52 0.38 -4.11 2.92 0.24 -0.14 0.66 118.33 122.81 2k5l n VAL 16 Ca 0.09 -0.12 -0.16 0.00 -2.04 0.00 0.00 64.34 62.11 2k5l n VAL 16 Cb 0.48 -1.13 -0.15 0.00 -1.47 0.00 0.00 33.84 31.57 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 -2.13 0.42 -0.29 7.34 2.20 -0.75 -4.71 119.74 121.83 2k5l s LYS 17 Ca -0.09 -0.13 -0.11 0.00 -0.36 0.00 0.00 55.97 55.28 2k5l s LYS 17 Cb 0.03 -0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 35.87 2k5l s LYS 17 CO 0.14 0.05 0.18 -0.51 -0.36 0.00 0.00 175.35 174.85 2k5l s LEU 18 N 0.15 4.03 0.00 5.43 1.43 -1.26 -0.32 118.68 128.14 2k5l s LEU 18 Ca -0.01 -0.12 0.28 0.00 -1.03 0.00 0.00 54.13 53.25 2k5l s LEU 18 Cb -0.05 -2.10 1.03 0.00 0.03 0.00 0.00 46.19 45.10 2k5l s LEU 18 CO -0.00 -0.08 1.73 1.41 0.23 0.00 0.00 176.35 179.63 2k5l n HIS 19 N 5.05 0.00 -2.26 0.29 8.25 -1.07 -4.89 115.22 120.59 2k5l n HIS 19 Ca -0.14 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.05 2k5l n HIS 19 Cb 0.51 -0.09 0.04 0.00 1.12 0.00 0.00 29.99 31.58 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 -2.29 1.63 0.43 -1.41 0.00 -1.26 -5.07 107.32 99.34 2k5l s GLY 20 Ca 0.31 -0.68 -0.05 0.00 0.00 0.00 0.00 44.72 44.30 2k5l s GLY 20 CO 0.44 -0.36 0.59 2.41 0.00 0.00 0.00 173.10 176.18 2k5l n THR 21 N -2.74 0.00 -0.28 0.90 -1.04 -1.26 -4.58 114.28 105.28 2k5l n THR 21 Ca 0.06 -0.62 0.08 0.00 -2.04 0.00 0.00 64.05 61.53 2k5l n THR 21 Cb 0.58 -1.49 0.23 0.00 -1.82 0.00 0.00 70.33 67.83 2k5l n THR 21 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2k5l h GLY 22 N -0.62 1.30 1.39 3.41 0.00 -1.98 0.29 103.07 106.85 2k5l h GLY 22 Ca -0.19 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 2k5l h GLY 22 CO 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 176.54 176.53 2k5l h ALA 23 N 1.60 1.10 -0.07 3.60 0.00 -1.99 -0.63 119.26 122.86 2k5l h ALA 23 Ca 0.47 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2k5l h ALA 23 Cb 0.75 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k5l h ALA 23 CO -0.43 0.56 -0.24 -0.07 0.00 0.00 0.00 179.25 179.07 2k5l h LEU 24 N 0.68 0.34 0.11 0.00 -0.00 -1.43 -2.97 115.31 112.04 2k5l h LEU 24 Ca 0.13 -0.62 0.02 0.00 -0.00 0.00 0.00 57.88 57.41 2k5l h LEU 24 Cb 0.49 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.02 2k5l h LEU 24 CO 0.03 0.90 -0.22 0.11 -0.00 0.00 0.00 178.44 179.26 2k5l h LYS 25 N -0.20 -0.39 -0.26 1.13 1.57 -0.29 -2.20 116.57 115.94 2k5l h LYS 25 Ca -0.01 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 2k5l h LYS 25 Cb 0.87 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2k5l h LYS 25 CO 0.05 -0.26 -0.10 -0.09 -0.57 0.00 0.00 179.45 178.48 2k5l h ARG 26 N -0.41 0.42 -0.27 3.15 2.43 -1.22 0.17 114.38 118.65 2k5l h ARG 26 Ca 0.03 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2k5l h ARG 26 Cb 0.43 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2k5l h ARG 26 CO -0.13 0.52 0.14 -0.09 -1.51 0.00 0.00 179.97 178.91 2k5l h ARG 27 N 0.39 0.38 -0.20 0.20 9.65 -1.32 0.50 114.38 123.99 2k5l h ARG 27 Ca 0.08 -0.05 -0.17 0.00 -1.10 0.00 0.00 59.98 58.74 2k5l h ARG 27 Cb 0.42 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.92 2k5l h ARG 27 CO 0.02 0.35 -0.56 0.82 2.80 0.00 0.00 179.97 183.39 2k5l h ILE 28 N 0.31 1.31 -0.45 1.20 2.04 -0.77 -2.80 117.51 118.35 2k5l h ILE 28 Ca 0.09 -1.80 -0.06 0.00 1.00 0.00 0.00 64.86 64.09 2k5l h ILE 28 Cb 0.08 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 2k5l h ILE 28 CO -0.01 0.57 0.07 0.24 0.00 0.00 0.00 178.15 179.01 2k5l h MET 29 N 0.48 0.76 -0.37 2.37 2.86 -0.53 -1.99 114.93 118.50 2k5l h MET 29 Ca 0.01 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.46 2k5l h MET 29 Cb 1.13 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 2k5l h MET 29 CO 0.11 0.78 0.25 0.22 1.06 0.00 0.00 176.91 179.33 2k5l h ASP 30 N 0.62 0.36 0.62 1.22 1.82 -0.87 0.15 116.42 120.35 2k5l h ASP 30 Ca 0.14 -0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.74 2k5l h ASP 30 Cb 0.40 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.32 2k5l h ASP 30 CO 0.01 0.25 -0.17 -0.03 -1.61 0.00 0.00 179.24 177.69 2k5l h MET 31 N 0.41 0.00 0.00 0.28 4.05 -1.14 -3.46 114.93 115.08 2k5l h MET 31 Ca 0.15 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 2k5l h MET 31 Cb 0.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2k5l h MET 31 CO -0.03 0.17 0.00 0.41 0.23 0.00 0.00 176.91 177.68 2k5l n GLY 32 N -0.29 1.93 3.62 1.39 0.00 0.04 -5.03 105.19 106.85 2k5l n GLY 32 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.12 4.55 0.26 -0.61 1.01 -0.80 -4.96 121.20 118.53 2k5l s ILE 33 Ca 0.00 1.46 0.03 0.00 0.00 0.00 0.00 60.65 62.13 2k5l s ILE 33 Cb 0.00 -4.37 -0.01 0.00 0.01 0.00 0.00 42.46 38.09 2k5l s ILE 33 CO 0.00 -0.51 0.11 0.35 0.00 0.00 0.00 174.94 174.89 2k5l n THR 34 N 5.93 0.00 -2.76 2.92 -2.24 -1.26 -3.37 114.28 113.49 2k5l n THR 34 Ca 0.09 -1.56 -0.42 0.00 -2.27 0.00 0.00 64.05 59.90 2k5l n THR 34 Cb 0.48 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.26 2k5l n THR 34 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2k5l s ARG 35 N -3.00 4.51 0.00 -0.78 0.52 -1.26 -3.56 118.95 115.38 2k5l s ARG 35 Ca 0.15 1.32 0.00 0.00 -0.52 0.00 0.00 55.73 56.68 2k5l s ARG 35 Cb 0.01 -3.48 0.00 0.00 0.52 0.00 0.00 34.95 32.00 2k5l s ARG 35 CO 0.11 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.74 2k5l n GLY 36 N 2.99 0.65 3.71 -3.53 0.00 0.21 -5.00 105.19 104.22 2k5l n GLY 36 Ca 0.05 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.23 4.21 -0.27 0.00 2.12 -1.26 -2.65 118.70 118.62 2k5l s GLU 38 Ca 0.26 0.99 -0.04 0.00 0.36 0.00 0.00 54.97 56.54 2k5l s GLU 38 Cb -0.12 -3.63 0.02 0.00 0.26 0.00 0.00 34.13 30.67 2k5l s GLU 38 CO 0.18 -0.48 -0.00 0.42 -0.54 0.00 0.00 175.26 174.83 2k5l s ILE 39 N 2.72 3.29 -0.22 -3.70 -1.09 0.96 -4.87 121.20 118.28 2k5l s ILE 39 Ca 0.36 -0.94 -0.08 0.00 -2.23 0.00 0.00 60.65 57.76 2k5l s ILE 39 Cb -0.16 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 2k5l s ILE 39 CO 0.08 0.12 0.08 -0.47 -1.23 0.00 0.00 174.94 173.53 2k5l s TYR 40 N 1.38 3.18 -0.28 3.97 5.04 -1.25 0.10 117.35 129.49 2k5l s TYR 40 Ca 0.00 -0.12 -0.19 0.00 -2.44 0.00 0.00 57.07 54.32 2k5l s TYR 40 Cb -0.17 -2.18 -0.02 0.00 0.35 0.00 0.00 41.96 39.94 2k5l s TYR 40 CO -0.02 -0.10 0.58 0.42 -1.34 0.00 0.00 175.55 175.10 2k5l s ILE 41 N 1.07 5.00 -0.06 3.14 -1.09 -0.68 -0.67 121.20 127.90 2k5l s ILE 41 Ca 0.05 0.90 -0.16 0.00 -2.23 0.00 0.00 60.65 59.21 2k5l s ILE 41 Cb -0.14 -3.92 -0.11 0.00 -1.58 0.00 0.00 42.46 36.71 2k5l s ILE 41 CO 0.03 -0.02 0.63 0.03 -1.23 0.00 0.00 174.94 174.38 2k5l h ARG 42 N 8.07 -0.24 -3.02 2.79 2.47 -0.13 0.83 114.38 125.14 2k5l h ARG 42 Ca -0.28 0.02 -0.16 0.00 -1.26 0.00 0.00 59.98 58.30 2k5l h ARG 42 Cb 1.13 0.06 -0.26 0.00 -1.65 0.00 0.00 29.97 29.24 2k5l h ARG 42 CO 0.76 0.08 -0.40 0.21 0.56 0.00 0.00 179.97 181.18 2k5l s LYS 43 N -2.94 0.31 -0.19 0.04 2.20 -1.05 -4.24 119.74 113.89 2k5l s LYS 43 Ca -0.09 0.44 -0.02 0.00 -0.36 0.00 0.00 55.97 55.94 2k5l s LYS 43 Cb 0.00 0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.41 2k5l s LYS 43 CO 0.33 -0.07 -0.09 0.08 -0.36 0.00 0.00 175.35 175.25 2k5l s VAL 44 N 0.42 3.15 0.40 4.02 1.01 -1.26 -0.08 120.40 128.05 2k5l s VAL 44 Ca -0.02 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 2k5l s VAL 44 Cb -0.04 -2.39 -0.09 0.00 0.00 0.00 0.00 36.38 33.87 2k5l s VAL 44 CO -0.02 0.47 1.14 0.00 0.00 0.00 0.00 175.10 176.69 2k5l s ALA 45 N 1.06 3.14 0.52 5.51 0.00 -1.25 -4.92 121.76 125.82 2k5l s ALA 45 Ca 0.00 0.90 0.36 0.00 0.00 0.00 0.00 51.96 53.22 2k5l s ALA 45 Cb -0.15 -3.35 1.95 0.00 0.00 0.00 0.00 23.12 21.58 2k5l s ALA 45 CO -0.01 -0.44 2.23 -1.35 0.00 0.00 0.00 175.76 176.19 2k5l h PRO 46 N 2.63 0.00 0.00 0.00 0.11 -1.95 0.10 132.00 132.89 2k5l h PRO 46 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2k5l h PRO 46 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2k5l h PRO 46 CO 0.62 0.03 -0.02 1.25 -0.21 0.00 0.00 178.00 179.67 2k5l h LEU 47 N 0.00 0.00 0.00 2.35 6.46 -1.99 -3.47 115.31 118.66 2k5l h LEU 47 Ca -0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2k5l h LEU 47 Cb 0.14 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 2k5l h LEU 47 CO 0.00 0.00 0.00 0.61 -0.62 0.00 0.00 178.44 178.43 2k5l n GLY 48 N 1.17 3.32 3.64 3.75 0.00 0.35 -5.06 105.19 112.36 2k5l n GLY 48 Ca 0.04 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 -0.21 0.48 1.61 -4.77 -1.26 -4.36 116.67 108.16 2k5l s ASP 49 Ca 0.00 -0.66 -0.22 0.00 -3.30 0.00 0.00 52.55 48.37 2k5l s ASP 49 Cb 0.00 0.62 -0.07 0.00 -1.09 0.00 0.00 42.92 42.38 2k5l s ASP 49 CO 0.00 -1.17 1.14 -2.16 0.70 0.00 0.00 175.17 173.68 2k5l s PRO 50 N -3.93 3.68 -0.12 2.11 0.04 -1.26 -4.80 135.00 130.71 2k5l s PRO 50 Ca 0.14 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 62.71 2k5l s PRO 50 Cb -0.02 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 2k5l s PRO 50 CO 0.04 -0.60 0.37 0.42 0.04 0.00 0.00 177.00 177.27 2k5l s ILE 51 N -1.64 5.22 -0.26 0.56 1.01 0.99 -3.85 121.20 123.23 2k5l s ILE 51 Ca 0.66 0.72 -0.12 0.00 0.00 0.00 0.00 60.65 61.91 2k5l s ILE 51 Cb -0.26 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 2k5l s ILE 51 CO 0.31 0.41 0.24 -1.10 0.00 0.00 0.00 174.94 174.80 2k5l s GLN 52 N 0.20 4.01 0.25 2.79 -1.52 0.89 -0.27 119.66 126.01 2k5l s GLN 52 Ca 0.21 -0.18 0.11 0.00 -1.95 0.00 0.00 55.36 53.55 2k5l s GLN 52 Cb -0.14 -3.62 -0.05 0.00 -0.22 0.00 0.00 33.01 28.98 2k5l s GLN 52 CO 0.08 -0.14 -0.20 0.42 -0.25 0.00 0.00 175.29 175.19 2k5l s ILE 53 N 1.64 2.36 -0.27 1.08 1.09 -0.06 0.61 121.20 127.65 2k5l s ILE 53 Ca 0.10 -2.28 0.02 0.00 -1.10 0.00 0.00 60.65 57.39 2k5l s ILE 53 Cb -0.15 -2.21 0.06 0.00 -1.06 0.00 0.00 42.46 39.09 2k5l s ILE 53 CO 0.09 -0.34 -0.09 0.21 -0.10 0.00 0.00 174.94 174.71 2k5l s ASN 54 N -3.25 4.52 -0.06 3.58 3.84 0.15 0.04 114.94 123.76 2k5l s ASN 54 Ca 0.26 -1.36 0.02 0.00 0.21 0.00 0.00 52.86 51.99 2k5l s ASN 54 Cb -0.05 -1.58 0.02 0.00 -0.55 0.00 0.00 41.25 39.08 2k5l s ASN 54 CO 0.13 -0.20 -0.10 -0.69 -2.79 0.00 0.00 177.10 173.44 2k5l s VAL 55 N 1.13 0.99 -1.74 -5.21 1.01 -0.06 -3.79 120.40 112.74 2k5l s VAL 55 Ca -0.08 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2k5l s VAL 55 Cb -0.20 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.25 2k5l s VAL 55 CO -0.04 0.33 0.00 0.54 0.00 0.00 0.00 175.10 175.92 2k5l n ARG 56 N 3.95 -1.18 -0.89 2.72 5.12 -1.26 -0.38 116.66 124.75 2k5l n ARG 56 Ca -0.23 1.07 0.00 0.00 -1.93 0.00 0.00 57.85 56.77 2k5l n ARG 56 Cb 0.51 -5.29 0.00 0.00 -1.16 0.00 0.00 32.46 26.53 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 -0.88 0.66 3.55 -0.13 0.00 -1.26 -5.03 105.19 102.10 2k5l n GLY 57 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.49 3.11 0.18 1.61 6.14 0.49 -5.09 117.35 121.30 2k5l s TYR 58 Ca 0.00 -0.16 -0.30 0.00 0.64 0.00 0.00 57.07 57.25 2k5l s TYR 58 Cb 0.00 -2.00 -0.08 0.00 0.42 0.00 0.00 41.96 40.31 2k5l s TYR 58 CO 0.00 0.04 1.15 -1.21 0.64 0.00 0.00 175.55 176.17 2k5l s GLU 59 N 0.33 4.54 -0.04 4.97 8.01 -1.26 -0.88 118.70 134.37 2k5l s GLU 59 Ca -0.01 1.80 0.04 0.00 0.01 0.00 0.00 54.97 56.80 2k5l s GLU 59 Cb -0.13 -3.26 -0.00 0.00 -4.31 0.00 0.00 34.13 26.42 2k5l s GLU 59 CO 0.02 -0.01 -0.16 -0.51 0.01 0.00 0.00 175.26 174.60 2k5l s LEU 60 N -0.28 1.89 -0.46 1.80 1.43 0.11 -4.95 118.68 118.21 2k5l s LEU 60 Ca 0.51 -0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 2k5l s LEU 60 Cb -0.31 -0.92 0.06 0.00 0.03 0.00 0.00 46.19 45.04 2k5l s LEU 60 CO 0.36 0.14 0.44 -0.44 0.23 0.00 0.00 176.35 177.07 2k5l s SER 61 N 0.08 6.17 -0.05 2.29 0.01 -1.26 -0.88 113.70 120.06 2k5l s SER 61 Ca -0.04 -1.09 -0.01 0.00 1.31 0.00 0.00 55.95 56.12 2k5l s SER 61 Cb -0.11 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 2k5l s SER 61 CO 0.02 -0.66 0.02 -0.22 0.41 0.00 0.00 173.24 172.81 2k5l s LEU 62 N 1.93 3.64 0.23 2.44 2.96 0.63 -4.88 118.68 125.64 2k5l s LEU 62 Ca 0.08 0.12 -0.30 0.00 -0.22 0.00 0.00 54.13 53.81 2k5l s LEU 62 Cb -0.21 -1.94 -0.09 0.00 0.50 0.00 0.00 46.19 44.45 2k5l s LEU 62 CO 0.09 0.34 0.99 -0.13 -1.32 0.00 0.00 176.35 176.32 2k5l s ARG 63 N -1.18 4.78 0.49 1.98 3.00 -1.26 -0.01 118.95 126.76 2k5l s ARG 63 Ca 0.16 1.57 0.14 0.00 0.00 0.00 0.00 55.73 57.61 2k5l s ARG 63 Cb -0.11 -3.27 1.17 0.00 0.00 0.00 0.00 34.95 32.74 2k5l s ARG 63 CO 0.06 0.39 2.12 1.57 0.00 0.00 0.00 175.30 179.45 2k5l h LYS 64 N 4.26 0.10 -0.94 3.54 2.10 -1.95 -0.85 116.57 122.83 2k5l h LYS 64 Ca -0.45 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.20 2k5l h LYS 64 Cb 1.20 -0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 32.47 2k5l h LYS 64 CO 0.68 0.08 0.62 0.77 -2.00 0.00 0.00 179.45 179.60 2k5l h SER 65 N 0.10 1.08 0.51 7.07 0.02 -1.95 0.01 113.55 120.40 2k5l h SER 65 Ca 0.03 -0.03 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 2k5l h SER 65 Cb 0.01 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 2k5l h SER 65 CO -0.00 0.79 -0.90 0.00 -1.14 0.00 0.00 176.83 175.57 2k5l h ALA 66 N 1.41 0.46 0.00 3.77 0.00 -1.58 -3.22 119.26 120.10 2k5l h ALA 66 Ca 0.34 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2k5l h ALA 66 Cb -0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2k5l h ALA 66 CO -0.07 0.89 -0.34 0.00 0.00 0.00 0.00 179.25 179.72 2k5l h ALA 67 N 0.90 1.36 -0.28 0.00 0.00 -0.46 -2.65 119.26 118.12 2k5l h ALA 67 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2k5l h ALA 67 Cb 1.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2k5l h ALA 67 CO 0.14 0.43 0.00 -0.85 0.00 0.00 0.00 179.25 178.97 2k5l n GLU 68 N -4.03 1.97 -0.19 0.00 0.28 -0.09 -0.42 120.64 118.16 2k5l n GLU 68 Ca -0.02 -1.48 0.06 0.00 -0.16 0.00 0.00 57.16 55.56 2k5l n GLU 68 Cb 0.39 -1.41 0.15 0.00 1.43 0.00 0.00 31.44 32.00 2k5l n GLU 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k5l n MET 69 N 0.70 2.61 -5.01 3.44 0.00 -1.00 -4.92 117.12 112.94 2k5l n MET 69 Ca 0.17 -2.25 -0.32 0.00 0.00 0.00 0.00 57.70 55.29 2k5l n MET 69 Cb 0.40 -1.41 -0.15 0.00 0.00 0.00 0.00 33.22 32.06 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 -1.87 2.66 -0.34 3.17 -1.09 -1.23 -2.60 121.20 119.89 2k5l s ILE 70 Ca 0.25 -0.84 -0.20 0.00 -2.23 0.00 0.00 60.65 57.63 2k5l s ILE 70 Cb 0.19 -2.04 -0.00 0.00 -1.58 0.00 0.00 42.46 39.02 2k5l s ILE 70 CO 0.08 0.56 0.60 -0.70 -1.23 0.00 0.00 174.94 174.25 2k5l s GLU 71 N -0.16 3.72 0.28 2.79 2.56 0.57 -3.07 118.70 125.38 2k5l s GLU 71 Ca -0.02 0.05 0.02 0.00 0.00 0.00 0.00 54.97 55.02 2k5l s GLU 71 Cb -0.14 -3.79 -0.06 0.00 2.00 0.00 0.00 34.13 32.15 2k5l s GLU 71 CO 0.04 -0.67 0.08 0.14 -0.56 0.00 0.00 175.26 174.28 2k5l s VAL 72 N 2.60 0.80 0.24 3.70 -7.23 0.27 -0.96 120.40 119.81 2k5l s VAL 72 Ca 0.23 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.43 2k5l s VAL 72 Cb -0.15 -2.67 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 2k5l s VAL 72 CO 0.14 -0.03 0.00 -1.83 -0.31 0.00 0.00 175.10 173.07 2k5l s GLU 73 N -3.97 1.37 0.03 4.82 -1.05 0.33 -4.17 118.70 116.06 2k5l s GLU 73 Ca 0.37 -1.70 -0.26 0.00 -0.15 0.00 0.00 54.97 53.23 2k5l s GLU 73 Cb 0.08 -0.64 -0.05 0.00 -0.44 0.00 0.00 34.13 33.08 2k5l s GLU 73 CO 0.14 -0.10 0.81 -1.17 0.95 0.00 0.00 175.26 175.88 2k5l s LEU 74 N -3.32 4.42 0.00 1.83 1.98 -1.26 -0.29 118.68 122.04 2k5l s LEU 74 Ca 0.29 1.48 0.00 0.00 -2.89 0.00 0.00 54.13 53.01 2k5l s LEU 74 Cb 0.06 -3.30 0.00 0.00 0.66 0.00 0.00 46.19 43.61 2k5l s LEU 74 CO 0.09 -0.05 0.00 1.21 -1.89 0.00 0.00 176.35 175.71 2k5l n GLU 75 N 3.10 1.69 -1.71 1.98 0.00 -0.30 -4.84 120.64 120.57 2k5l n GLU 75 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.74 2k5l n GLU 75 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.91 2k5l n GLU 75 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2k5l s HIS 76 N 1.02 1.32 -1.30 4.31 3.76 -1.26 -4.87 115.29 118.27 2k5l s HIS 76 Ca 0.00 0.72 -0.12 0.00 -0.15 0.00 0.00 55.06 55.51 2k5l s HIS 76 Cb 0.00 -3.93 0.14 0.00 1.11 0.00 0.00 32.58 29.90 2k5l s HIS 76 CO 0.00 -3.53 1.82 -2.39 -0.85 0.00 0.00 174.74 169.80 2k5l n HIS 77 N 12.03 3.66 -3.65 1.40 1.44 -1.26 -4.68 115.22 124.17 2k5l n HIS 77 Ca 0.29 -2.96 -0.38 0.00 -2.01 0.00 0.00 57.72 52.66 2k5l n HIS 77 Cb 0.47 -2.17 -0.08 0.00 0.12 0.00 0.00 29.99 28.33 2k5l n HIS 77 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2k5l s HIS 78 N 1.46 3.47 -0.02 -1.40 -3.43 -1.26 -4.75 115.29 109.36 2k5l s HIS 78 Ca 0.43 -2.58 0.00 0.00 -0.80 0.00 0.00 55.06 52.11 2k5l s HIS 78 Cb 0.07 -3.31 -0.01 0.00 -1.43 0.00 0.00 32.58 27.90 2k5l s HIS 78 CO -0.01 -0.87 0.02 1.58 -2.00 0.00 0.00 174.74 173.47 2k5l n HIS 79 N 3.58 0.00 0.17 0.38 -0.00 -1.26 -4.38 115.22 113.70 2k5l n HIS 79 Ca 0.09 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.37 2k5l n HIS 79 Cb 0.39 -0.00 0.09 0.00 -0.12 0.00 0.00 29.99 30.35 2k5l n HIS 79 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2k5l h HIS 80 N 0.00 0.00 0.00 1.57 3.86 -1.96 -3.53 115.15 115.10 2k5l h HIS 80 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2k5l h HIS 80 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 2k5l h HIS 80 CO 0.00 0.10 0.00 1.58 0.86 0.00 0.00 177.93 180.47