#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 3.01 0.06 1.12 5.36 -1.26 -5.09 117.98 121.17 2k5l s PHE 2 Ca 0.00 -0.56 0.02 0.00 -0.96 0.00 0.00 56.93 55.43 2k5l s PHE 2 Cb 0.00 -2.07 -0.04 0.00 -0.34 0.00 0.00 43.02 40.57 2k5l s PHE 2 CO 0.00 -0.29 0.07 -1.12 -1.46 0.00 0.00 175.22 172.42 2k5l s SER 3 N 1.03 5.51 0.53 6.13 0.01 -1.26 -1.31 113.70 124.33 2k5l s SER 3 Ca 0.01 0.01 0.26 0.00 1.31 0.00 0.00 55.95 57.55 2k5l s SER 3 Cb -0.14 -1.49 1.51 0.00 0.21 0.00 0.00 66.02 66.10 2k5l s SER 3 CO 0.01 0.20 2.12 0.25 0.41 0.00 0.00 173.24 176.23 2k5l h LEU 4 N 3.52 0.00 -2.51 2.44 5.85 -0.57 -0.09 115.31 123.94 2k5l h LEU 4 Ca -0.47 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.26 2k5l h LEU 4 Cb 1.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2k5l h LEU 4 CO 0.64 0.09 0.06 -0.09 -0.34 0.00 0.00 178.44 178.81 2k5l h ARG 5 N 0.00 0.00 -0.18 1.25 2.43 -1.51 -2.45 114.38 113.92 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 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2k5l h ARG 5 CO 0.01 0.00 0.00 -3.47 -1.51 0.00 0.00 179.97 175.00 2k5l n ASP 6 N -3.62 2.40 -4.70 -3.80 -0.08 -0.07 -4.97 116.55 101.72 2k5l n ASP 6 Ca -0.02 -1.87 -0.42 0.00 -1.51 0.00 0.00 54.79 50.97 2k5l n ASP 6 Cb 0.15 -0.12 -0.03 0.00 2.34 0.00 0.00 41.12 43.46 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 -0.92 3.51 0.59 -1.67 0.00 -0.92 -4.96 121.76 117.39 2k5l s ALA 7 Ca 0.13 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 52.78 2k5l s ALA 7 Cb 0.07 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2k5l s ALA 7 CO 0.10 -0.73 1.03 0.15 0.00 0.00 0.00 175.76 176.31 2k5l s LYS 8 N 1.90 3.53 0.12 0.00 3.01 -1.26 -4.95 119.74 122.08 2k5l s LYS 8 Ca 0.60 0.95 -0.31 0.00 -1.01 0.00 0.00 55.97 56.21 2k5l s LYS 8 Cb -0.30 -2.07 -0.08 0.00 -1.01 0.00 0.00 37.83 34.37 2k5l s LYS 8 CO 0.26 -0.62 1.39 0.00 0.51 0.00 0.00 175.35 176.89 2k5l n GLY 10 N 3.46 0.74 3.93 0.00 0.00 0.10 -5.00 105.19 108.43 2k5l n GLY 10 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.81 3.54 -0.23 1.61 -1.52 -1.04 -4.93 119.66 116.28 2k5l s GLN 11 Ca 0.00 -0.26 0.01 0.00 -1.95 0.00 0.00 55.36 53.16 2k5l s GLN 11 Cb 0.00 -2.73 0.04 0.00 -0.22 0.00 0.00 33.01 30.10 2k5l s GLN 11 CO 0.00 0.27 -0.12 0.99 -0.25 0.00 0.00 175.29 176.18 2k5l s THR 12 N -2.08 2.33 0.31 -0.19 2.01 -1.26 -2.11 115.64 114.64 2k5l s THR 12 Ca 0.40 -1.26 0.09 0.00 0.31 0.00 0.00 61.69 61.23 2k5l s THR 12 Cb -0.10 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 2k5l s THR 12 CO 0.31 0.20 0.01 0.68 -0.69 0.00 0.00 174.62 175.14 2k5l s VAL 13 N 1.22 3.01 -0.18 3.82 -7.23 0.01 -3.80 120.40 117.25 2k5l s VAL 13 Ca -0.02 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 2k5l s VAL 13 Cb -0.17 -2.81 0.02 0.00 0.56 0.00 0.00 36.38 33.98 2k5l s VAL 13 CO -0.07 -0.28 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.50 2k5l s LYS 14 N -3.71 3.03 0.02 4.82 2.47 0.78 -0.17 119.74 126.98 2k5l s LYS 14 Ca 0.34 -0.81 -0.30 0.00 -1.56 0.00 0.00 55.97 53.63 2k5l s LYS 14 Cb -0.03 -2.60 -0.06 0.00 -1.46 0.00 0.00 37.83 33.67 2k5l s LYS 14 CO 0.20 -0.20 1.45 0.08 0.16 0.00 0.00 175.35 177.04 2k5l s VAL 15 N 1.27 3.54 0.00 4.02 1.01 0.22 -0.00 120.40 130.46 2k5l s VAL 15 Ca 0.04 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2k5l s VAL 15 Cb -0.13 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2k5l s VAL 15 CO -0.11 0.00 0.00 1.33 0.00 0.00 0.00 175.10 176.32 2k5l n VAL 16 N 4.62 0.00 -4.15 2.92 0.24 -0.60 -0.05 118.33 121.31 2k5l n VAL 16 Ca 0.14 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.27 2k5l n VAL 16 Cb 0.43 -0.69 -0.12 0.00 -1.47 0.00 0.00 33.84 32.00 2k5l n VAL 16 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2k5l s LYS 17 N -1.99 0.75 -0.39 7.34 1.02 -0.47 -4.82 119.74 121.18 2k5l s LYS 17 Ca 0.00 -0.93 0.02 0.00 0.02 0.00 0.00 55.97 55.08 2k5l s LYS 17 Cb 0.00 -0.68 0.12 0.00 -0.52 0.00 0.00 37.83 36.75 2k5l s LYS 17 CO 0.00 0.14 0.16 -0.51 -0.92 0.00 0.00 175.35 174.22 2k5l s LEU 18 N -1.76 3.32 0.00 3.17 1.43 -1.26 -0.43 118.68 123.15 2k5l s LEU 18 Ca -0.03 -2.29 0.24 0.00 -1.03 0.00 0.00 54.13 51.02 2k5l s LEU 18 Cb -0.09 -1.22 1.15 0.00 0.03 0.00 0.00 46.19 46.05 2k5l s LEU 18 CO 0.02 -0.33 1.78 1.41 0.23 0.00 0.00 176.35 179.45 2k5l n HIS 19 N 4.02 0.06 -0.11 0.29 8.25 0.89 -3.65 115.22 124.99 2k5l n HIS 19 Ca 0.04 -0.03 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 2k5l n HIS 19 Cb 0.38 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 2k5l n HIS 19 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2k5l h GLY 20 N 5.07 0.58 -1.01 -1.41 0.00 -1.92 -3.49 103.07 100.89 2k5l h GLY 20 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2k5l h GLY 20 CO 0.00 0.37 -0.24 2.41 0.00 0.00 0.00 176.54 179.09 2k5l n THR 21 N -4.59 -2.17 0.00 4.70 -1.04 -1.24 -4.51 114.28 105.44 2k5l n THR 21 Ca -0.02 0.65 0.00 0.00 -2.04 0.00 0.00 64.05 62.64 2k5l n THR 21 Cb 0.24 -1.36 0.00 0.00 -1.82 0.00 0.00 70.33 67.39 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 -0.50 1.11 0.37 3.41 0.00 -1.26 -2.04 105.19 106.28 2k5l n GLY 22 Ca 0.00 0.52 0.08 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.79 1.61 -0.15 4.61 0.00 -2.00 -0.21 119.26 122.33 2k5l h ALA 23 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2k5l h ALA 23 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2k5l h ALA 23 CO 0.00 0.17 -0.23 -0.07 0.00 0.00 0.00 179.25 179.12 2k5l h LEU 24 N 0.91 0.45 -0.22 0.00 -0.00 -1.64 -3.02 115.31 111.79 2k5l h LEU 24 Ca 0.45 -0.53 0.02 0.00 -0.00 0.00 0.00 57.88 57.83 2k5l h LEU 24 Cb 0.48 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.99 2k5l h LEU 24 CO -0.21 0.89 0.07 0.11 -0.00 0.00 0.00 178.44 179.30 2k5l h LYS 25 N 0.02 0.17 0.37 1.13 1.57 -1.38 -2.40 116.57 116.07 2k5l h LYS 25 Ca 0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2k5l h LYS 25 Cb 0.80 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2k5l h LYS 25 CO 0.05 0.11 -0.29 0.00 -0.57 0.00 0.00 179.45 178.76 2k5l h ARG 26 N 0.18 -0.63 -0.55 3.15 2.47 -1.13 0.17 114.38 118.03 2k5l h ARG 26 Ca 0.09 0.04 0.04 0.00 -1.26 0.00 0.00 59.98 58.90 2k5l h ARG 26 Cb 0.06 0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.48 2k5l h ARG 26 CO -0.10 -0.42 0.31 -0.09 0.56 0.00 0.00 179.97 180.23 2k5l h ARG 27 N -0.66 0.58 -0.27 0.04 2.43 -1.49 0.50 114.38 115.52 2k5l h ARG 27 Ca -0.03 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2k5l h ARG 27 Cb 0.57 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2k5l h ARG 27 CO -0.00 0.38 0.09 0.82 -1.51 0.00 0.00 179.97 179.74 2k5l h ILE 28 N 0.59 1.20 -0.24 1.20 2.04 -1.22 -2.63 117.51 118.45 2k5l h ILE 28 Ca 0.24 -0.62 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 2k5l h ILE 28 Cb 0.10 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2k5l h ILE 28 CO -0.14 0.21 -0.29 0.24 0.00 0.00 0.00 178.15 178.16 2k5l h MET 29 N 0.27 0.49 0.00 2.37 2.86 -0.07 -2.14 114.93 118.71 2k5l h MET 29 Ca 0.09 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 2k5l h MET 29 Cb 0.24 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2k5l h MET 29 CO -0.00 0.74 -0.24 0.22 1.06 0.00 0.00 176.91 178.68 2k5l h ASP 30 N 0.43 0.00 -0.01 1.22 1.82 0.13 -0.23 116.42 119.78 2k5l h ASP 30 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2k5l h ASP 30 Cb 0.73 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.74 2k5l h ASP 30 CO 0.06 0.24 0.00 0.23 -1.61 0.00 0.00 179.24 178.16 2k5l n MET 31 N -4.25 1.07 -0.02 0.28 2.81 -1.00 -4.85 117.12 111.16 2k5l n MET 31 Ca -0.02 -0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.76 2k5l n MET 31 Cb 0.29 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 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 0.91 0.33 3.48 3.03 0.00 -0.10 -4.96 105.19 107.88 2k5l n GLY 32 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.08 4.31 0.19 -0.61 1.01 -0.83 -4.81 121.20 118.38 2k5l s ILE 33 Ca 0.00 -0.71 0.11 0.00 0.00 0.00 0.00 60.65 60.04 2k5l s ILE 33 Cb 0.00 -4.80 -0.04 0.00 0.01 0.00 0.00 42.46 37.62 2k5l s ILE 33 CO 0.00 -1.60 -0.21 0.42 0.00 0.00 0.00 174.94 173.55 2k5l s THR 34 N 3.98 2.53 0.05 2.92 -4.23 -1.26 -2.99 115.64 116.64 2k5l s THR 34 Ca 0.31 -1.93 -0.30 0.00 -1.18 0.00 0.00 61.69 58.58 2k5l s THR 34 Cb -0.09 -2.22 -0.09 0.00 1.34 0.00 0.00 72.50 71.44 2k5l s THR 34 CO 0.01 -0.10 1.92 0.00 -0.54 0.00 0.00 174.62 175.91 2k5l s ARG 35 N -2.67 4.14 0.00 3.99 1.70 -1.26 -1.47 118.95 123.38 2k5l s ARG 35 Ca 0.21 2.59 0.00 0.00 -0.47 0.00 0.00 55.73 58.06 2k5l s ARG 35 Cb -0.08 -4.02 0.00 0.00 -0.57 0.00 0.00 34.95 30.28 2k5l s ARG 35 CO 0.11 -0.92 0.00 0.41 -1.08 0.00 0.00 175.30 173.82 2k5l n GLY 36 N 4.45 2.13 3.92 3.88 0.00 0.93 -4.97 105.19 115.52 2k5l n GLY 36 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 -5.20 2.22 -0.08 0.00 -1.05 -1.26 -0.61 118.70 112.72 2k5l s GLU 38 Ca 0.58 -0.87 0.03 0.00 -0.15 0.00 0.00 54.97 54.56 2k5l s GLU 38 Cb -0.11 -2.18 0.01 0.00 -0.44 0.00 0.00 34.13 31.41 2k5l s GLU 38 CO 0.46 0.58 -0.18 0.42 0.95 0.00 0.00 175.26 177.49 2k5l s ILE 39 N -0.71 1.58 -0.27 1.83 1.01 0.75 -4.67 121.20 120.72 2k5l s ILE 39 Ca 0.11 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 2k5l s ILE 39 Cb -0.10 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.92 2k5l s ILE 39 CO 0.01 0.45 0.18 -0.47 0.00 0.00 0.00 174.94 175.11 2k5l s TYR 40 N 0.49 3.23 -0.21 3.97 5.04 -1.16 -0.81 117.35 127.90 2k5l s TYR 40 Ca -0.16 0.13 -0.15 0.00 -2.44 0.00 0.00 57.07 54.44 2k5l s TYR 40 Cb -0.17 -2.36 -0.04 0.00 0.35 0.00 0.00 41.96 39.74 2k5l s TYR 40 CO 0.06 -0.13 0.37 0.42 -1.34 0.00 0.00 175.55 174.93 2k5l s ILE 41 N 1.66 5.21 -0.19 3.14 1.09 -0.90 -1.44 121.20 129.77 2k5l s ILE 41 Ca 0.07 0.65 -0.16 0.00 -1.10 0.00 0.00 60.65 60.11 2k5l s ILE 41 Cb -0.16 -3.70 -0.08 0.00 -1.06 0.00 0.00 42.46 37.46 2k5l s ILE 41 CO 0.10 0.26 -0.28 0.54 -0.10 0.00 0.00 174.94 175.46 2k5l n ARG 42 N 4.47 0.53 -5.09 2.79 3.00 -0.37 0.01 116.66 122.00 2k5l n ARG 42 Ca -0.09 0.30 -0.30 0.00 -0.01 0.00 0.00 57.85 57.75 2k5l n ARG 42 Cb 0.51 -1.51 -0.17 0.00 0.00 0.00 0.00 32.46 31.29 2k5l n ARG 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2k5l s LYS 43 N -2.67 2.74 -0.14 5.56 -0.14 -1.13 -4.33 119.74 119.64 2k5l s LYS 43 Ca -0.28 -0.79 0.02 0.00 -1.36 0.00 0.00 55.97 53.56 2k5l s LYS 43 Cb 0.06 -2.11 0.01 0.00 -1.68 0.00 0.00 37.83 34.12 2k5l s LYS 43 CO 0.41 0.16 -0.19 0.08 -0.76 0.00 0.00 175.35 175.06 2k5l s VAL 44 N 0.37 1.82 0.52 3.17 1.01 -1.26 -1.54 120.40 124.49 2k5l s VAL 44 Ca -0.17 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 2k5l s VAL 44 Cb -0.17 -1.64 -0.07 0.00 0.00 0.00 0.00 36.38 34.50 2k5l s VAL 44 CO 0.08 0.50 1.08 0.00 0.00 0.00 0.00 175.10 176.76 2k5l s ALA 45 N 1.01 2.78 0.23 5.51 0.00 -1.12 -4.91 121.76 125.26 2k5l s ALA 45 Ca -0.04 0.71 0.34 0.00 0.00 0.00 0.00 51.96 52.97 2k5l s ALA 45 Cb -0.15 -3.31 1.80 0.00 0.00 0.00 0.00 23.12 21.46 2k5l s ALA 45 CO -0.04 -0.56 2.04 -1.00 0.00 0.00 0.00 175.76 176.20 2k5l h PRO 46 N 1.35 0.00 -0.21 0.00 0.13 -1.96 0.94 132.00 132.24 2k5l h PRO 46 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k5l h PRO 46 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k5l h PRO 46 CO 0.58 0.00 0.00 1.47 -0.23 0.00 0.00 178.00 179.82 2k5l n LEU 47 N -2.73 2.51 0.00 1.56 -0.00 -1.26 -5.04 117.00 112.05 2k5l n LEU 47 Ca -0.02 -1.62 0.00 0.00 -0.00 0.00 0.00 56.01 54.37 2k5l n LEU 47 Cb 0.09 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.37 2k5l n LEU 47 CO 0.17 0.59 0.00 0.61 -0.00 0.00 0.00 177.39 178.75 2k5l n GLY 48 N 0.52 2.16 3.87 1.47 0.00 0.32 -5.02 105.19 108.52 2k5l n GLY 48 Ca 0.09 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.53 6.64 0.32 1.61 1.47 -1.26 -2.78 116.67 119.13 2k5l s ASP 49 Ca 0.00 0.92 -0.01 0.00 1.18 0.00 0.00 52.55 54.63 2k5l s ASP 49 Cb 0.00 -2.22 -0.04 0.00 -0.34 0.00 0.00 42.92 40.32 2k5l s ASP 49 CO 0.00 -0.05 0.54 -2.16 0.68 0.00 0.00 175.17 174.18 2k5l s PRO 50 N -2.71 3.53 -0.18 2.11 0.05 -1.26 -4.72 135.00 131.82 2k5l s PRO 50 Ca 0.46 -0.22 -0.06 0.00 0.05 0.00 0.00 61.00 61.22 2k5l s PRO 50 Cb -0.12 -2.67 -0.04 0.00 0.05 0.00 0.00 34.50 31.73 2k5l s PRO 50 CO 0.21 0.19 0.04 0.42 0.05 0.00 0.00 177.00 177.90 2k5l s ILE 51 N -2.21 4.56 -0.37 0.56 1.01 -0.86 -3.91 121.20 119.97 2k5l s ILE 51 Ca 0.41 -0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.80 2k5l s ILE 51 Cb -0.10 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.33 2k5l s ILE 51 CO 0.34 0.47 0.28 -1.10 0.00 0.00 0.00 174.94 174.93 2k5l s GLN 52 N 0.40 3.25 0.26 2.79 1.11 -0.59 -2.44 119.66 124.44 2k5l s GLN 52 Ca 0.01 -0.80 0.07 0.00 0.01 0.00 0.00 55.36 54.65 2k5l s GLN 52 Cb -0.13 -3.89 -0.06 0.00 -1.01 0.00 0.00 33.01 27.93 2k5l s GLN 52 CO 0.01 -0.60 -0.08 0.96 0.01 0.00 0.00 175.29 175.59 2k5l s ILE 53 N 1.74 1.68 -0.16 1.08 -4.36 0.01 -1.23 121.20 119.96 2k5l s ILE 53 Ca 0.06 -2.15 0.02 0.00 -0.26 0.00 0.00 60.65 58.32 2k5l s ILE 53 Cb -0.18 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 41.18 2k5l s ILE 53 CO 0.11 -0.36 -0.21 0.21 0.24 0.00 0.00 174.94 174.93 2k5l s ASN 54 N -3.42 3.09 -0.05 4.36 3.84 -0.52 -0.62 114.94 121.62 2k5l s ASN 54 Ca 0.28 -0.62 0.01 0.00 0.21 0.00 0.00 52.86 52.75 2k5l s ASN 54 Cb 0.03 -1.45 0.02 0.00 -0.55 0.00 0.00 41.25 39.30 2k5l s ASN 54 CO 0.11 0.04 -0.07 -0.69 -2.79 0.00 0.00 177.10 173.70 2k5l s VAL 55 N 1.03 0.72 0.00 -5.21 1.01 -0.34 -3.00 120.40 114.62 2k5l s VAL 55 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2k5l s VAL 55 Cb -0.14 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.52 2k5l s VAL 55 CO -0.07 0.27 0.00 0.54 0.00 0.00 0.00 175.10 175.84 2k5l n ARG 56 N 4.03 -1.26 0.00 2.72 5.12 -1.26 -0.75 116.66 125.26 2k5l n ARG 56 Ca -0.23 0.31 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 2k5l n ARG 56 Cb 0.51 -4.28 0.00 0.00 -1.16 0.00 0.00 32.46 27.53 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 -0.45 2.19 3.87 -0.13 0.00 -1.26 -5.06 105.19 104.35 2k5l n GLY 57 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.53 3.44 -0.20 1.61 2.02 0.07 -5.04 117.35 116.71 2k5l s TYR 58 Ca 0.00 1.06 -0.24 0.00 -0.37 0.00 0.00 57.07 57.52 2k5l s TYR 58 Cb 0.00 -2.43 -0.01 0.00 -0.40 0.00 0.00 41.96 39.11 2k5l s TYR 58 CO 0.00 0.00 0.79 -1.21 -1.57 0.00 0.00 175.55 173.56 2k5l s GLU 59 N -3.48 4.24 -0.09 -0.62 0.41 -1.26 -1.20 118.70 116.69 2k5l s GLU 59 Ca 0.51 0.91 0.04 0.00 -0.41 0.00 0.00 54.97 56.02 2k5l s GLU 59 Cb -0.10 -3.60 -0.00 0.00 -1.78 0.00 0.00 34.13 28.64 2k5l s GLU 59 CO 0.26 -0.37 -0.22 -0.51 -0.49 0.00 0.00 175.26 173.93 2k5l s LEU 60 N 2.32 2.19 -0.28 1.80 2.01 0.21 -4.96 118.68 121.97 2k5l s LEU 60 Ca 0.35 -0.51 0.02 0.00 0.01 0.00 0.00 54.13 54.01 2k5l s LEU 60 Cb -0.16 -1.43 0.07 0.00 0.01 0.00 0.00 46.19 44.68 2k5l s LEU 60 CO 0.10 0.18 -0.04 -0.94 1.01 0.00 0.00 176.35 176.67 2k5l s SER 61 N 0.21 4.35 0.09 2.29 1.04 -1.26 -0.81 113.70 119.62 2k5l s SER 61 Ca -0.14 -1.56 0.05 0.00 0.48 0.00 0.00 55.95 54.78 2k5l s SER 61 Cb -0.17 -1.43 -0.04 0.00 0.10 0.00 0.00 66.02 64.48 2k5l s SER 61 CO 0.07 -0.27 -0.02 -0.76 0.98 0.00 0.00 173.24 173.24 2k5l s LEU 62 N 1.16 3.36 0.80 2.42 1.43 -1.02 -4.95 118.68 121.88 2k5l s LEU 62 Ca -0.02 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 2k5l s LEU 62 Cb -0.19 -2.10 0.07 0.00 0.03 0.00 0.00 46.19 44.00 2k5l s LEU 62 CO -0.07 0.18 1.09 -0.60 0.23 0.00 0.00 176.35 177.18 2k5l s ARG 63 N -2.23 2.05 0.27 1.70 6.06 -1.26 -2.02 118.95 123.52 2k5l s ARG 63 Ca 0.24 0.76 -0.01 0.00 -2.50 0.00 0.00 55.73 54.23 2k5l s ARG 63 Cb -0.12 -1.91 0.62 0.00 0.06 0.00 0.00 34.95 33.61 2k5l s ARG 63 CO 0.17 -1.67 1.66 -0.22 -2.50 0.00 0.00 175.30 172.73 2k5l h LYS 64 N -1.13 0.22 -0.12 5.12 3.64 -1.93 -2.45 116.57 119.92 2k5l h LYS 64 Ca -0.47 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.93 2k5l h LYS 64 Cb 1.26 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 2k5l h LYS 64 CO 0.57 0.15 -0.08 0.66 -2.27 0.00 0.00 179.45 178.48 2k5l h SER 65 N 0.23 -0.25 0.15 4.20 4.64 -1.98 -0.93 113.55 119.61 2k5l h SER 65 Ca 0.50 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.87 2k5l h SER 65 Cb 0.96 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2k5l h SER 65 CO -0.61 -0.10 -0.07 0.00 -0.87 0.00 0.00 176.83 175.17 2k5l h ALA 66 N 1.03 -0.20 -0.22 5.18 0.00 -1.82 -2.79 119.26 120.44 2k5l h ALA 66 Ca 0.07 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k5l h ALA 66 Cb 0.19 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2k5l h ALA 66 CO -0.17 -0.49 0.15 0.00 0.00 0.00 0.00 179.25 178.74 2k5l h ALA 67 N 0.37 2.07 0.00 0.00 0.00 -1.43 -1.50 119.26 118.76 2k5l h ALA 67 Ca -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2k5l h ALA 67 Cb 0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k5l h ALA 67 CO 0.03 -0.11 -0.35 1.49 0.00 0.00 0.00 179.25 180.32 2k5l h GLU 68 N 0.11 0.00 -0.02 0.00 4.81 -0.90 -1.52 114.58 117.07 2k5l h GLU 68 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2k5l h GLU 68 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2k5l h GLU 68 CO -0.01 0.35 -0.32 -1.33 -0.73 0.00 0.00 179.01 176.96 2k5l n MET 69 N -3.69 1.27 -3.24 1.92 2.81 -0.58 -4.83 117.12 110.78 2k5l n MET 69 Ca -0.01 -0.97 -0.40 0.00 -1.81 0.00 0.00 57.70 54.52 2k5l n MET 69 Cb 0.45 -1.48 -0.07 0.00 -0.71 0.00 0.00 33.22 31.40 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 -2.39 5.08 -0.29 2.02 1.01 -0.98 -0.07 121.20 125.57 2k5l s ILE 70 Ca 0.23 0.90 -0.13 0.00 0.00 0.00 0.00 60.65 61.64 2k5l s ILE 70 Cb 0.19 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2k5l s ILE 70 CO 0.51 0.11 0.30 -0.70 0.00 0.00 0.00 174.94 175.16 2k5l s GLU 71 N 2.13 3.88 0.28 2.79 2.12 0.43 -0.27 118.70 130.06 2k5l s GLU 71 Ca 0.22 -0.20 0.08 0.00 0.36 0.00 0.00 54.97 55.42 2k5l s GLU 71 Cb -0.16 -3.69 -0.06 0.00 0.26 0.00 0.00 34.13 30.49 2k5l s GLU 71 CO 0.09 -0.30 -0.09 0.14 -0.54 0.00 0.00 175.26 174.56 2k5l s VAL 72 N 1.94 1.84 0.17 3.70 -7.23 -0.43 -1.37 120.40 119.01 2k5l s VAL 72 Ca 0.11 -2.18 0.10 0.00 -1.81 0.00 0.00 61.98 58.21 2k5l s VAL 72 Cb -0.16 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2k5l s VAL 72 CO 0.11 -0.33 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.68 2k5l s GLU 73 N -3.68 1.73 -0.87 4.82 2.56 1.00 -4.41 118.70 119.85 2k5l s GLU 73 Ca 0.29 -1.36 -0.08 0.00 0.00 0.00 0.00 54.97 53.82 2k5l s GLU 73 Cb 0.02 -2.00 -0.16 0.00 2.00 0.00 0.00 34.13 33.99 2k5l s GLU 73 CO 0.12 0.43 3.10 -0.11 -0.56 0.00 0.00 175.26 178.25 2k5l n LEU 74 N 0.36 6.81 -2.62 2.70 -0.00 -1.26 -0.16 117.00 122.84 2k5l n LEU 74 Ca -0.13 -3.67 -0.06 0.00 -0.00 0.00 0.00 56.01 52.15 2k5l n LEU 74 Cb 0.55 -1.43 0.01 0.00 -0.00 0.00 0.00 43.42 42.55 2k5l n LEU 74 CO 0.30 1.74 -0.04 1.21 -0.00 0.00 0.00 177.39 180.60 2k5l n GLU 75 N 3.18 -2.19 -3.65 1.96 2.13 -1.25 -4.94 120.64 115.87 2k5l n GLU 75 Ca 0.60 1.98 -0.38 0.00 0.66 0.00 0.00 57.16 60.01 2k5l n GLU 75 Cb 0.50 -4.99 -0.12 0.00 0.27 0.00 0.00 31.44 27.10 2k5l n GLU 75 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2k5l s HIS 76 N -2.19 3.17 0.21 4.31 2.46 -1.26 -4.92 115.29 117.07 2k5l s HIS 76 Ca 0.17 -0.47 0.00 0.00 0.47 0.00 0.00 55.06 55.23 2k5l s HIS 76 Cb -0.05 -2.35 0.00 0.00 -0.13 0.00 0.00 32.58 30.05 2k5l s HIS 76 CO 0.65 -0.41 0.00 0.72 -2.47 0.00 0.00 174.74 173.23 2k5l n HIS 77 N 4.99 -1.64 -0.06 3.88 8.25 -1.26 -4.99 115.22 124.39 2k5l n HIS 77 Ca -0.14 0.88 -0.09 0.00 -0.26 0.00 0.00 57.72 58.11 2k5l n HIS 77 Cb 0.50 -1.82 -0.06 0.00 1.12 0.00 0.00 29.99 29.73 2k5l n HIS 77 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k5l n HIS 78 N -1.39 0.00 -3.57 4.41 -0.00 -1.26 -5.06 115.22 108.34 2k5l n HIS 78 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.55 2k5l n HIS 78 Cb 0.08 -0.47 -0.06 0.00 -0.00 0.00 0.00 29.99 29.53 2k5l n HIS 78 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2k5l s HIS 79 N -2.25 -0.56 -0.14 4.41 -3.43 -1.26 -5.12 115.29 106.94 2k5l s HIS 79 Ca -0.17 0.95 -0.29 0.00 -0.80 0.00 0.00 55.06 54.75 2k5l s HIS 79 Cb 0.05 0.35 -0.04 0.00 -1.43 0.00 0.00 32.58 31.51 2k5l s HIS 79 CO 0.28 -0.57 1.62 -1.58 -2.00 0.00 0.00 174.74 172.49 2k5l s HIS 80 N -1.25 2.08 0.00 0.38 2.46 -1.26 -5.27 115.29 112.43 2k5l s HIS 80 Ca -0.11 0.41 0.00 0.00 0.47 0.00 0.00 55.06 55.83 2k5l s HIS 80 Cb -0.01 -3.91 0.00 0.00 -0.13 0.00 0.00 32.58 28.53 2k5l s HIS 80 CO 0.09 -3.30 0.00 1.58 -2.47 0.00 0.00 174.74 170.63