#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 3.53 0.55 3.17 5.36 -1.26 -5.04 117.98 124.28 2k5l s PHE 2 Ca 0.00 -2.60 0.05 0.00 -0.96 0.00 0.00 56.93 53.42 2k5l s PHE 2 Cb 0.00 -2.52 0.06 0.00 -0.34 0.00 0.00 43.02 40.22 2k5l s PHE 2 CO 0.00 -0.91 0.76 -1.54 -1.46 0.00 0.00 175.22 172.06 2k5l s SER 3 N 1.09 5.18 0.55 6.13 1.04 -1.26 -3.03 113.70 123.40 2k5l s SER 3 Ca 0.02 -0.45 0.36 0.00 0.48 0.00 0.00 55.95 56.37 2k5l s SER 3 Cb -0.20 -0.31 1.74 0.00 0.10 0.00 0.00 66.02 67.35 2k5l s SER 3 CO -0.06 -1.21 2.09 0.25 0.98 0.00 0.00 173.24 175.29 2k5l h LEU 4 N 0.17 0.00 -0.74 2.42 5.85 -0.96 -0.72 115.31 121.34 2k5l h LEU 4 Ca -0.37 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 2k5l h LEU 4 Cb 1.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 2k5l h LEU 4 CO 0.44 0.00 -0.28 -0.09 -0.34 0.00 0.00 178.44 178.18 2k5l h ARG 5 N 0.00 0.00 0.00 1.25 2.43 -1.87 -3.17 114.38 113.03 2k5l h ARG 5 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k5l h ARG 5 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2k5l h ARG 5 CO 0.00 0.28 -0.14 -0.25 -1.51 0.00 0.00 179.97 178.34 2k5l n ASP 6 N -3.32 0.45 -4.82 -3.80 9.92 -0.28 -4.83 116.55 109.87 2k5l n ASP 6 Ca 0.01 0.39 -0.34 0.00 -0.53 0.00 0.00 54.79 54.32 2k5l n ASP 6 Cb 0.52 -0.43 -0.07 0.00 -0.64 0.00 0.00 41.12 40.50 2k5l n ASP 6 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k5l s ALA 7 N -3.06 3.14 0.43 2.24 0.00 -1.20 -5.00 121.76 118.32 2k5l s ALA 7 Ca 0.11 0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.51 2k5l s ALA 7 Cb 0.16 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 20.21 2k5l s ALA 7 CO 0.60 0.18 0.55 0.15 0.00 0.00 0.00 175.76 177.24 2k5l s LYS 8 N -2.85 2.72 -0.45 0.00 -0.14 -1.26 -4.96 119.74 112.80 2k5l s LYS 8 Ca 0.57 -1.34 -0.27 0.00 -1.36 0.00 0.00 55.97 53.57 2k5l s LYS 8 Cb -0.12 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.33 2k5l s LYS 8 CO 0.16 -0.31 2.09 0.00 -0.76 0.00 0.00 175.35 176.54 2k5l n GLY 10 N 5.75 1.38 3.69 0.00 0.00 -0.02 -4.96 105.19 111.02 2k5l n GLY 10 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 4.28 -0.41 1.61 1.11 -0.50 -4.79 119.66 120.97 2k5l s GLN 11 Ca 0.00 1.91 -0.15 0.00 0.01 0.00 0.00 55.36 57.13 2k5l s GLN 11 Cb 0.00 -3.60 0.02 0.00 -1.01 0.00 0.00 33.01 28.42 2k5l s GLN 11 CO 0.00 -0.58 0.33 0.99 0.01 0.00 0.00 175.29 176.04 2k5l s THR 12 N 2.52 5.22 0.42 -0.19 2.01 -1.26 -2.83 115.64 121.52 2k5l s THR 12 Ca 0.63 -0.54 0.07 0.00 0.31 0.00 0.00 61.69 62.15 2k5l s THR 12 Cb -0.30 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 2k5l s THR 12 CO 0.25 -0.31 0.20 0.68 -0.69 0.00 0.00 174.62 174.75 2k5l s VAL 13 N 1.79 2.28 -0.07 3.82 -7.23 0.41 -3.65 120.40 117.76 2k5l s VAL 13 Ca 0.07 -1.67 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 2k5l s VAL 13 Cb -0.18 -2.95 0.02 0.00 0.56 0.00 0.00 36.38 33.82 2k5l s VAL 13 CO 0.11 0.00 -0.09 -0.75 -0.31 0.00 0.00 175.10 174.06 2k5l s LYS 14 N -3.93 1.40 0.06 4.82 2.36 0.52 0.30 119.74 125.26 2k5l s LYS 14 Ca 0.41 -0.29 -0.31 0.00 -2.55 0.00 0.00 55.97 53.23 2k5l s LYS 14 Cb 0.03 -1.26 -0.07 0.00 -1.05 0.00 0.00 37.83 35.49 2k5l s LYS 14 CO 0.23 -0.05 1.37 0.08 1.55 0.00 0.00 175.35 178.53 2k5l s VAL 15 N 0.90 3.59 -0.06 4.02 1.01 -1.01 -0.43 120.40 128.42 2k5l s VAL 15 Ca -0.11 1.08 0.02 0.00 0.00 0.00 0.00 61.98 62.97 2k5l s VAL 15 Cb -0.15 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2k5l s VAL 15 CO 0.01 0.04 -0.02 1.33 0.00 0.00 0.00 175.10 176.46 2k5l n VAL 16 N 4.27 0.35 -3.94 2.92 0.24 0.16 -0.51 118.33 121.83 2k5l n VAL 16 Ca 0.12 -0.17 -0.10 0.00 -2.04 0.00 0.00 64.34 62.15 2k5l n VAL 16 Cb 0.43 -0.79 -0.11 0.00 -1.47 0.00 0.00 33.84 31.91 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 -2.12 0.33 -0.20 7.34 2.20 -0.96 -4.90 119.74 121.43 2k5l s LYS 17 Ca -0.06 -0.48 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 2k5l s LYS 17 Cb 0.02 0.13 0.03 0.00 -1.51 0.00 0.00 37.83 36.49 2k5l s LYS 17 CO 0.17 -0.06 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.41 2k5l s LEU 18 N -1.27 2.43 0.23 5.43 1.43 -1.26 -0.55 118.68 125.11 2k5l s LEU 18 Ca -0.14 -0.82 0.07 0.00 -1.03 0.00 0.00 54.13 52.21 2k5l s LEU 18 Cb -0.08 -1.49 0.22 0.00 0.03 0.00 0.00 46.19 44.87 2k5l s LEU 18 CO -0.00 -0.05 1.53 0.45 0.23 0.00 0.00 176.35 178.51 2k5l h HIS 19 N 7.90 0.15 -2.18 0.29 3.86 -0.59 -3.45 115.15 121.14 2k5l h HIS 19 Ca -0.39 -0.07 -0.59 0.00 -1.16 0.00 0.00 60.37 58.16 2k5l h HIS 19 Cb 1.12 -0.02 0.03 0.00 1.06 0.00 0.00 27.41 29.59 2k5l h HIS 19 CO 0.51 0.76 1.04 0.41 0.86 0.00 0.00 177.93 181.51 2k5l n GLY 20 N 0.44 1.45 3.57 2.45 0.00 -1.25 -4.82 105.19 107.02 2k5l n GLY 20 Ca -0.02 0.79 -0.29 0.00 0.00 0.00 0.00 46.02 46.50 2k5l n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5l s THR 21 N 3.15 3.54 0.00 2.61 2.01 -1.26 -3.36 115.64 122.33 2k5l s THR 21 Ca 0.88 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.20 2k5l s THR 21 Cb -0.64 -4.34 0.00 0.00 0.01 0.00 0.00 72.50 67.53 2k5l s THR 21 CO 0.45 -1.07 0.00 0.61 -0.69 0.00 0.00 174.62 173.93 2k5l n GLY 22 N 6.38 1.40 0.14 4.40 0.00 -1.26 -4.08 105.19 112.17 2k5l n GLY 22 Ca 0.42 0.17 -0.07 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.21 0.34 -0.41 4.61 0.00 -1.99 0.24 119.26 121.84 2k5l h ALA 23 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2k5l h ALA 23 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2k5l h ALA 23 CO 0.00 -0.31 -0.23 1.25 0.00 0.00 0.00 179.25 179.96 2k5l h LEU 24 N 0.22 0.91 -1.07 0.00 7.12 -1.80 -1.27 115.31 119.41 2k5l h LEU 24 Ca 0.14 -0.42 -0.08 0.00 0.13 0.00 0.00 57.88 57.65 2k5l h LEU 24 Cb 0.12 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 39.98 2k5l h LEU 24 CO -0.15 1.12 -0.40 0.07 -0.13 0.00 0.00 178.44 178.96 2k5l h LYS 25 N 0.69 0.00 0.06 1.25 5.09 -1.46 -2.35 116.57 119.86 2k5l h LYS 25 Ca 0.09 0.00 -0.25 0.00 0.09 0.00 0.00 60.65 60.57 2k5l h LYS 25 Cb 0.80 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.14 2k5l h LYS 25 CO 0.07 0.40 -1.09 -0.09 -2.09 0.00 0.00 179.45 176.65 2k5l h ARG 26 N 0.00 0.41 -0.53 0.07 1.12 -0.39 -3.19 114.38 111.87 2k5l h ARG 26 Ca -0.00 -0.53 0.03 0.00 -1.11 0.00 0.00 59.98 58.37 2k5l h ARG 26 Cb 0.83 0.17 -0.04 0.00 -0.01 0.00 0.00 29.97 30.92 2k5l h ARG 26 CO 0.05 1.19 0.30 -0.09 -3.11 0.00 0.00 179.97 178.31 2k5l h ARG 27 N 0.19 0.57 -0.95 0.20 9.65 -0.72 -1.16 114.38 122.16 2k5l h ARG 27 Ca -0.12 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.78 2k5l h ARG 27 Cb 1.76 -0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 30.15 2k5l h ARG 27 CO 0.19 0.37 0.61 0.82 2.80 0.00 0.00 179.97 184.77 2k5l h ILE 28 N 0.58 1.12 -0.03 1.20 2.04 -1.52 -1.21 117.51 119.68 2k5l h ILE 28 Ca 0.22 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 2k5l h ILE 28 Cb 0.07 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.02 2k5l h ILE 28 CO -0.12 0.21 -0.19 0.24 0.00 0.00 0.00 178.15 178.29 2k5l h MET 29 N 1.15 0.04 -0.10 2.37 2.86 -0.86 -2.18 114.93 118.21 2k5l h MET 29 Ca 0.39 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.97 2k5l h MET 29 Cb 0.09 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2k5l h MET 29 CO -0.15 0.23 -0.19 -0.44 1.06 0.00 0.00 176.91 177.43 2k5l h ASP 30 N 0.04 0.16 1.27 1.22 3.32 -0.10 -1.15 116.42 121.18 2k5l h ASP 30 Ca 0.01 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2k5l h ASP 30 Cb 0.36 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2k5l h ASP 30 CO 0.03 0.36 0.00 0.23 -1.72 0.00 0.00 179.24 178.14 2k5l n MET 31 N -4.24 0.16 0.00 3.56 2.81 -0.86 -4.89 117.12 113.65 2k5l n MET 31 Ca -0.01 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 2k5l n MET 31 Cb 0.29 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 2k5l n MET 31 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k5l n GLY 32 N 1.35 1.00 3.42 3.03 0.00 -0.44 -5.01 105.19 108.53 2k5l n GLY 32 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 4.50 0.21 -0.61 1.09 -0.99 -4.83 121.20 118.57 2k5l s ILE 33 Ca 0.00 -0.51 -0.01 0.00 -1.10 0.00 0.00 60.65 59.03 2k5l s ILE 33 Cb 0.00 -3.33 -0.04 0.00 -1.06 0.00 0.00 42.46 38.03 2k5l s ILE 33 CO 0.00 0.03 0.13 0.28 -0.10 0.00 0.00 174.94 175.28 2k5l s THR 34 N 1.59 0.08 0.20 2.92 -1.32 -1.26 -2.34 115.64 115.51 2k5l s THR 34 Ca 0.04 -2.00 -0.31 0.00 -1.21 0.00 0.00 61.69 58.21 2k5l s THR 34 Cb -0.17 -2.52 -0.11 0.00 -1.51 0.00 0.00 72.50 68.19 2k5l s THR 34 CO 0.06 0.00 1.58 0.00 -2.21 0.00 0.00 174.62 174.05 2k5l s ARG 35 N -4.14 4.19 0.00 7.08 1.70 -1.26 -2.18 118.95 124.34 2k5l s ARG 35 Ca 0.39 2.43 0.00 0.00 -0.47 0.00 0.00 55.73 58.08 2k5l s ARG 35 Cb 0.07 -3.11 0.00 0.00 -0.57 0.00 0.00 34.95 31.34 2k5l s ARG 35 CO 0.12 -0.61 0.00 0.41 -1.08 0.00 0.00 175.30 174.14 2k5l n GLY 36 N 3.36 2.46 3.88 3.88 0.00 0.33 -4.99 105.19 114.11 2k5l n GLY 36 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.67 4.15 -0.13 0.00 2.02 -1.26 -2.42 118.70 117.40 2k5l s GLU 38 Ca 0.49 -0.20 0.01 0.00 0.02 0.00 0.00 54.97 55.29 2k5l s GLU 38 Cb -0.10 -3.47 0.02 0.00 0.10 0.00 0.00 34.13 30.68 2k5l s GLU 38 CO 0.30 0.20 -0.14 0.42 0.02 0.00 0.00 175.26 176.06 2k5l s ILE 39 N 0.64 1.51 -0.08 -1.63 1.09 0.15 -4.90 121.20 117.98 2k5l s ILE 39 Ca 0.09 -0.62 0.03 0.00 -1.10 0.00 0.00 60.65 59.04 2k5l s ILE 39 Cb -0.12 -1.41 -0.02 0.00 -1.06 0.00 0.00 42.46 39.85 2k5l s ILE 39 CO 0.01 0.45 -0.15 -0.72 -0.10 0.00 0.00 174.94 174.42 2k5l s TYR 40 N 1.27 2.70 0.23 3.97 1.13 -1.26 -0.45 117.35 124.96 2k5l s TYR 40 Ca -0.00 -0.40 -0.30 0.00 -1.41 0.00 0.00 57.07 54.96 2k5l s TYR 40 Cb -0.14 -1.70 -0.09 0.00 -1.10 0.00 0.00 41.96 38.94 2k5l s TYR 40 CO -0.06 -0.00 1.07 0.42 -2.51 0.00 0.00 175.55 174.46 2k5l s ILE 41 N -0.28 3.73 -0.17 -3.49 -1.09 -1.13 -2.68 121.20 116.09 2k5l s ILE 41 Ca 0.02 1.64 -0.18 0.00 -2.23 0.00 0.00 60.65 59.90 2k5l s ILE 41 Cb -0.13 -4.05 -0.15 0.00 -1.58 0.00 0.00 42.46 36.56 2k5l s ILE 41 CO 0.03 0.35 0.18 -0.09 -1.23 0.00 0.00 174.94 174.17 2k5l h ARG 42 N 4.37 0.00 -2.94 2.79 9.65 -0.20 -0.01 114.38 128.04 2k5l h ARG 42 Ca -0.45 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.28 2k5l h ARG 42 Cb 1.21 0.00 -0.25 0.00 -1.39 0.00 0.00 29.97 29.54 2k5l h ARG 42 CO 0.69 0.67 -0.34 0.15 2.80 0.00 0.00 179.97 183.94 2k5l s LYS 43 N -2.25 0.37 -0.27 0.20 1.02 -0.58 -4.69 119.74 113.55 2k5l s LYS 43 Ca -0.22 0.47 -0.00 0.00 0.02 0.00 0.00 55.97 56.24 2k5l s LYS 43 Cb 0.03 0.17 0.05 0.00 -0.52 0.00 0.00 37.83 37.56 2k5l s LYS 43 CO 0.47 -0.05 -0.05 0.08 -0.92 0.00 0.00 175.35 174.87 2k5l s VAL 44 N 0.25 2.70 0.47 3.17 1.01 -1.26 -0.12 120.40 126.62 2k5l s VAL 44 Ca -0.01 -1.34 -0.25 0.00 0.00 0.00 0.00 61.98 60.39 2k5l s VAL 44 Cb -0.03 -2.50 -0.08 0.00 0.00 0.00 0.00 36.38 33.78 2k5l s VAL 44 CO -0.00 0.02 1.41 0.00 0.00 0.00 0.00 175.10 176.52 2k5l s ALA 45 N 1.23 3.15 -1.08 5.51 0.00 -1.13 -4.87 121.76 124.57 2k5l s ALA 45 Ca -0.04 1.43 0.10 0.00 0.00 0.00 0.00 51.96 53.44 2k5l s ALA 45 Cb -0.19 -3.58 0.43 0.00 0.00 0.00 0.00 23.12 19.78 2k5l s ALA 45 CO -0.03 -1.22 1.29 -0.35 0.00 0.00 0.00 175.76 175.45 2k5l n PRO 46 N -0.36 0.03 0.01 0.00 -0.04 -1.26 -0.91 135.00 132.47 2k5l n PRO 46 Ca 0.06 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 2k5l n PRO 46 Cb 0.43 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.70 2k5l n PRO 46 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k5l n LEU 47 N -1.46 0.43 0.00 1.53 4.77 -1.26 -4.92 117.00 116.09 2k5l n LEU 47 Ca 0.03 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2k5l n LEU 47 Cb 0.11 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2k5l n LEU 47 CO 0.09 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 2k5l n GLY 48 N 1.47 2.06 3.32 -0.72 0.00 -0.09 -5.02 105.19 106.21 2k5l n GLY 48 Ca 0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 0.25 -0.11 0.63 1.61 1.47 -1.26 -4.60 116.67 114.67 2k5l s ASP 49 Ca 0.00 -0.49 -0.11 0.00 1.18 0.00 0.00 52.55 53.12 2k5l s ASP 49 Cb 0.00 0.45 -0.03 0.00 -0.34 0.00 0.00 42.92 43.00 2k5l s ASP 49 CO 0.00 -0.85 1.04 -2.16 0.68 0.00 0.00 175.17 173.87 2k5l s PRO 50 N -3.85 3.43 -0.34 2.11 0.04 -1.26 -4.70 135.00 130.43 2k5l s PRO 50 Ca 0.06 0.84 -0.11 0.00 0.04 0.00 0.00 61.00 61.83 2k5l s PRO 50 Cb 0.02 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2k5l s PRO 50 CO -0.09 -0.71 0.20 0.42 0.04 0.00 0.00 177.00 176.86 2k5l s ILE 51 N -3.08 4.81 -0.26 0.56 1.01 0.86 -2.85 121.20 122.25 2k5l s ILE 51 Ca 0.56 -0.49 -0.22 0.00 0.00 0.00 0.00 60.65 60.50 2k5l s ILE 51 Cb -0.12 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 2k5l s ILE 51 CO 0.52 -0.05 0.71 -1.10 0.00 0.00 0.00 174.94 175.02 2k5l s GLN 52 N 1.63 4.10 0.20 2.79 -1.52 0.83 -0.44 119.66 127.25 2k5l s GLN 52 Ca 0.04 0.66 0.11 0.00 -1.95 0.00 0.00 55.36 54.23 2k5l s GLN 52 Cb -0.18 -3.66 -0.04 0.00 -0.22 0.00 0.00 33.01 28.91 2k5l s GLN 52 CO 0.08 -0.49 -0.22 0.96 -0.25 0.00 0.00 175.29 175.37 2k5l s ILE 53 N 2.67 2.25 -0.29 1.08 -5.25 -0.37 0.55 121.20 121.84 2k5l s ILE 53 Ca 0.30 -2.06 0.00 0.00 -0.99 0.00 0.00 60.65 57.90 2k5l s ILE 53 Cb -0.15 -2.09 0.06 0.00 2.95 0.00 0.00 42.46 43.23 2k5l s ILE 53 CO 0.09 -0.20 -0.03 0.21 -1.79 0.00 0.00 174.94 173.22 2k5l s ASN 54 N -2.79 4.74 -0.03 4.36 3.04 -1.09 -0.70 114.94 122.48 2k5l s ASN 54 Ca 0.21 -1.41 -0.02 0.00 0.04 0.00 0.00 52.86 51.68 2k5l s ASN 54 Cb -0.07 -1.65 0.01 0.00 -1.54 0.00 0.00 41.25 37.99 2k5l s ASN 54 CO 0.10 -0.26 0.07 -0.69 -3.04 0.00 0.00 177.10 173.28 2k5l s VAL 55 N 1.17 0.00 -1.15 -5.21 1.01 -0.47 -4.20 120.40 111.56 2k5l s VAL 55 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2k5l s VAL 55 Cb -0.20 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.07 2k5l s VAL 55 CO -0.03 -0.01 0.00 0.54 0.00 0.00 0.00 175.10 175.60 2k5l n ARG 56 N 3.01 -1.19 -0.47 2.72 5.12 -1.26 -0.53 116.66 124.05 2k5l n ARG 56 Ca -0.12 0.84 0.00 0.00 -1.93 0.00 0.00 57.85 56.64 2k5l n ARG 56 Cb 0.59 -4.98 0.00 0.00 -1.16 0.00 0.00 32.46 26.91 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 -0.77 1.17 3.88 -0.13 0.00 -1.26 -5.04 105.19 103.05 2k5l n GLY 57 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 2k5l n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k5l s TYR 58 N -3.14 3.59 -0.43 1.61 2.02 0.31 -5.07 117.35 116.25 2k5l s TYR 58 Ca 0.00 0.53 -0.18 0.00 -0.37 0.00 0.00 57.07 57.04 2k5l s TYR 58 Cb 0.00 -1.95 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 2k5l s TYR 58 CO 0.00 0.68 0.51 -1.83 -1.57 0.00 0.00 175.55 173.33 2k5l s GLU 59 N -1.47 3.15 -0.11 -0.62 4.04 -1.26 -1.36 118.70 121.08 2k5l s GLU 59 Ca 0.22 -0.63 0.01 0.00 0.04 0.00 0.00 54.97 54.61 2k5l s GLU 59 Cb -0.13 -3.96 -0.02 0.00 0.02 0.00 0.00 34.13 30.04 2k5l s GLU 59 CO 0.12 -0.91 -0.14 -0.51 -1.84 0.00 0.00 175.26 171.97 2k5l s LEU 60 N 2.37 2.66 -0.54 1.83 1.43 0.12 -4.94 118.68 121.60 2k5l s LEU 60 Ca 0.16 -0.32 -0.25 0.00 -1.03 0.00 0.00 54.13 52.68 2k5l s LEU 60 Cb -0.16 -1.58 0.04 0.00 0.03 0.00 0.00 46.19 44.52 2k5l s LEU 60 CO 0.15 0.21 1.00 -0.55 0.23 0.00 0.00 176.35 177.39 2k5l s SER 61 N 0.10 6.39 -0.13 2.29 0.15 -1.26 -1.24 113.70 119.99 2k5l s SER 61 Ca -0.06 -0.17 -0.04 0.00 0.70 0.00 0.00 55.95 56.37 2k5l s SER 61 Cb -0.15 -2.47 -0.03 0.00 -1.71 0.00 0.00 66.02 61.66 2k5l s SER 61 CO 0.05 -1.26 0.02 -0.22 1.20 0.00 0.00 173.24 173.02 2k5l s LEU 62 N 4.17 3.63 0.28 3.45 2.96 0.42 -4.92 118.68 128.67 2k5l s LEU 62 Ca 0.34 0.09 -0.29 0.00 -0.22 0.00 0.00 54.13 54.05 2k5l s LEU 62 Cb -0.11 -1.87 -0.09 0.00 0.50 0.00 0.00 46.19 44.62 2k5l s LEU 62 CO 0.22 0.27 0.98 -0.60 -1.32 0.00 0.00 176.35 175.90 2k5l s ARG 63 N -0.23 4.72 0.56 1.98 3.00 -1.26 -0.10 118.95 127.61 2k5l s ARG 63 Ca 0.06 1.52 0.25 0.00 -1.00 0.00 0.00 55.73 56.56 2k5l s ARG 63 Cb -0.12 -3.11 1.51 0.00 0.00 0.00 0.00 34.95 33.22 2k5l s ARG 63 CO 0.02 0.37 2.08 1.57 0.00 0.00 0.00 175.30 179.34 2k5l h LYS 64 N 3.77 0.00 -0.60 5.12 5.09 -1.95 -1.59 116.57 126.42 2k5l h LYS 64 Ca -0.46 0.00 0.03 0.00 0.09 0.00 0.00 60.65 60.31 2k5l h LYS 64 Cb 1.20 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.49 2k5l h LYS 64 CO 0.67 0.00 0.36 0.77 -2.09 0.00 0.00 179.45 179.16 2k5l h SER 65 N 0.00 0.58 0.15 7.07 0.02 -1.95 0.89 113.55 120.31 2k5l h SER 65 Ca 0.11 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.83 2k5l h SER 65 Cb 0.53 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.96 2k5l h SER 65 CO -0.00 0.41 -0.96 0.00 -1.14 0.00 0.00 176.83 175.14 2k5l h ALA 66 N 1.26 0.28 -0.08 3.77 0.00 -1.71 -3.25 119.26 119.54 2k5l h ALA 66 Ca 0.24 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2k5l h ALA 66 Cb 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2k5l h ALA 66 CO -0.11 0.75 0.02 0.00 0.00 0.00 0.00 179.25 179.91 2k5l h ALA 67 N 0.60 1.88 -0.30 0.00 0.00 -0.71 -0.32 119.26 120.41 2k5l h ALA 67 Ca -0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2k5l h ALA 67 Cb 1.59 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2k5l h ALA 67 CO 0.18 0.10 -0.05 0.93 0.00 0.00 0.00 179.25 180.41 2k5l h GLU 68 N 0.11 0.47 -0.03 0.00 5.08 -0.87 -2.45 114.58 116.90 2k5l h GLU 68 Ca 0.03 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2k5l h GLU 68 Cb 0.05 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2k5l h GLU 68 CO -0.00 0.54 0.00 -1.33 -1.00 0.00 0.00 179.01 177.22 2k5l n MET 69 N -4.26 1.49 -3.39 2.33 2.81 -0.15 -4.72 117.12 111.23 2k5l n MET 69 Ca 0.01 -0.71 -0.43 0.00 -1.81 0.00 0.00 57.70 54.75 2k5l n MET 69 Cb 0.26 -1.47 -0.09 0.00 -0.71 0.00 0.00 33.22 31.21 2k5l n MET 69 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2k5l s ILE 70 N -1.98 5.18 -0.42 2.02 1.01 -1.01 0.24 121.20 126.24 2k5l s ILE 70 Ca 0.39 -0.55 -0.26 0.00 0.00 0.00 0.00 60.65 60.23 2k5l s ILE 70 Cb 0.21 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.71 2k5l s ILE 70 CO 0.33 -0.38 0.96 -0.70 0.00 0.00 0.00 174.94 175.16 2k5l s GLU 71 N 1.88 3.71 0.29 2.79 2.56 0.29 -2.06 118.70 128.16 2k5l s GLU 71 Ca 0.08 0.43 0.11 0.00 0.00 0.00 0.00 54.97 55.59 2k5l s GLU 71 Cb -0.18 -3.86 -0.05 0.00 2.00 0.00 0.00 34.13 32.03 2k5l s GLU 71 CO 0.11 -1.12 -0.17 0.14 -0.56 0.00 0.00 175.26 173.67 2k5l s VAL 72 N 3.74 2.47 -0.06 3.70 -7.23 -1.17 -0.66 120.40 121.18 2k5l s VAL 72 Ca 0.39 -2.34 0.05 0.00 -1.81 0.00 0.00 61.98 58.27 2k5l s VAL 72 Cb -0.10 -2.40 -0.00 0.00 0.56 0.00 0.00 36.38 34.43 2k5l s VAL 72 CO 0.24 -0.35 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.77 2k5l s GLU 73 N -3.54 2.27 -0.08 4.82 2.56 0.43 -4.81 118.70 120.34 2k5l s GLU 73 Ca 0.31 -0.73 -0.04 0.00 0.00 0.00 0.00 54.97 54.50 2k5l s GLU 73 Cb -0.03 -1.88 -0.04 0.00 2.00 0.00 0.00 34.13 34.18 2k5l s GLU 73 CO 0.16 0.25 0.09 -1.17 -0.56 0.00 0.00 175.26 174.02 2k5l s LEU 74 N 0.11 4.04 0.21 2.70 2.96 -1.26 -0.36 118.68 127.09 2k5l s LEU 74 Ca -0.08 0.30 -0.32 0.00 -0.22 0.00 0.00 54.13 53.82 2k5l s LEU 74 Cb -0.14 -2.05 -0.12 0.00 0.50 0.00 0.00 46.19 44.38 2k5l s LEU 74 CO 0.04 0.37 1.68 -0.70 -1.32 0.00 0.00 176.35 176.43 2k5l s GLU 75 N -1.15 4.14 -0.59 1.98 2.56 -1.24 -3.46 118.70 120.95 2k5l s GLU 75 Ca 0.16 2.57 -0.09 0.00 0.00 0.00 0.00 54.97 57.62 2k5l s GLU 75 Cb -0.12 -3.08 0.01 0.00 2.00 0.00 0.00 34.13 32.94 2k5l s GLU 75 CO 0.06 -0.72 0.65 0.72 -0.56 0.00 0.00 175.26 175.41 2k5l n HIS 76 N 3.74 -3.20 -4.15 5.30 8.25 -1.26 -5.04 115.22 118.85 2k5l n HIS 76 Ca 0.15 1.26 -0.26 0.00 -0.26 0.00 0.00 57.72 58.60 2k5l n HIS 76 Cb 0.36 -4.02 -0.07 0.00 1.12 0.00 0.00 29.99 27.38 2k5l n HIS 76 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k5l s HIS 77 N -2.78 2.97 -1.65 4.41 -3.43 -1.22 -4.43 115.29 109.15 2k5l s HIS 77 Ca 0.13 -0.09 0.00 0.00 -0.80 0.00 0.00 55.06 54.30 2k5l s HIS 77 Cb -0.03 -1.43 0.00 0.00 -1.43 0.00 0.00 32.58 29.68 2k5l s HIS 77 CO 0.77 0.52 0.00 1.58 -2.00 0.00 0.00 174.74 175.61 2k5l n HIS 78 N -0.23 -0.14 -2.72 0.38 -0.00 -1.26 -4.91 115.22 106.34 2k5l n HIS 78 Ca -0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.21 2k5l n HIS 78 Cb 0.55 -2.89 -0.03 0.00 -0.00 0.00 0.00 29.99 27.62 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 -2.64 2.71 -0.80 1.57 5.04 -1.26 -4.93 115.29 114.98 2k5l s HIS 79 Ca 0.00 -0.89 -0.11 0.00 -1.54 0.00 0.00 55.06 52.52 2k5l s HIS 79 Cb 0.00 -4.50 0.21 0.00 0.04 0.00 0.00 32.58 28.33 2k5l s HIS 79 CO 0.00 -1.77 0.72 -1.58 -2.34 0.00 0.00 174.74 169.77 2k5l s HIS 80 N 4.20 3.72 0.00 3.88 2.46 -1.26 -5.20 115.29 123.08 2k5l s HIS 80 Ca 0.37 -2.23 0.00 0.00 0.47 0.00 0.00 55.06 53.67 2k5l s HIS 80 Cb -0.05 -3.67 0.00 0.00 -0.13 0.00 0.00 32.58 28.74 2k5l s HIS 80 CO -0.04 -0.95 0.45 1.58 -2.47 0.00 0.00 174.74 173.31