#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 3.24 0.29 1.12 5.36 -1.26 -5.03 117.98 121.69 2k5l s PHE 2 Ca 0.00 -0.70 -0.29 0.00 -0.96 0.00 0.00 56.93 54.98 2k5l s PHE 2 Cb 0.00 -2.50 -0.09 0.00 -0.34 0.00 0.00 43.02 40.08 2k5l s PHE 2 CO 0.00 -0.58 1.03 -1.12 -1.46 0.00 0.00 175.22 173.09 2k5l s SER 3 N 1.63 7.32 0.43 6.13 0.01 -1.26 -0.16 113.70 127.80 2k5l s SER 3 Ca 0.04 2.11 0.09 0.00 1.31 0.00 0.00 55.95 59.50 2k5l s SER 3 Cb -0.19 -2.61 0.94 0.00 0.21 0.00 0.00 66.02 64.37 2k5l s SER 3 CO 0.08 -0.09 2.06 0.25 0.41 0.00 0.00 173.24 175.96 2k5l h LEU 4 N 3.69 0.35 -1.37 2.44 5.85 -0.59 0.02 115.31 125.69 2k5l h LEU 4 Ca -0.46 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.18 2k5l h LEU 4 Cb 1.21 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2k5l h LEU 4 CO 0.66 0.28 -0.31 -0.09 -0.34 0.00 0.00 178.44 178.64 2k5l h ARG 5 N 0.40 0.00 0.00 1.25 1.12 -1.65 -2.91 114.38 112.60 2k5l h ARG 5 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.98 2k5l h ARG 5 Cb -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 2k5l h ARG 5 CO -0.02 0.31 -0.11 -3.47 -3.11 0.00 0.00 179.97 173.57 2k5l n ASP 6 N -3.99 0.57 -2.86 -3.80 4.64 -0.03 -4.80 116.55 106.28 2k5l n ASP 6 Ca -0.02 0.45 -0.12 0.00 -1.38 0.00 0.00 54.79 53.72 2k5l n ASP 6 Cb 0.37 -0.54 0.09 0.00 -1.04 0.00 0.00 41.12 40.01 2k5l n ASP 6 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2k5l n ALA 7 N -1.70 -0.97 -2.34 -1.67 0.00 -1.09 -4.99 120.51 107.75 2k5l n ALA 7 Ca 0.06 -0.71 -0.17 0.00 0.00 0.00 0.00 53.44 52.61 2k5l n ALA 7 Cb 0.40 -0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.71 2k5l n ALA 7 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k5l s LYS 8 N -4.14 1.46 0.44 0.00 -0.14 -1.26 -4.99 119.74 111.11 2k5l s LYS 8 Ca 0.31 -1.79 -0.22 0.00 -1.36 0.00 0.00 55.97 52.90 2k5l s LYS 8 Cb -0.02 -0.38 -0.09 0.00 -1.68 0.00 0.00 37.83 35.67 2k5l s LYS 8 CO 0.22 -0.27 1.06 0.00 -0.76 0.00 0.00 175.35 175.59 2k5l n GLY 10 N 0.10 0.86 3.89 0.00 0.00 0.14 -5.01 105.19 105.16 2k5l n GLY 10 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.28 3.43 -0.35 1.61 -1.52 -1.20 -4.92 119.66 116.43 2k5l s GLN 11 Ca 0.00 -0.24 -0.10 0.00 -1.95 0.00 0.00 55.36 53.07 2k5l s GLN 11 Cb 0.00 -3.13 0.02 0.00 -0.22 0.00 0.00 33.01 29.68 2k5l s GLN 11 CO 0.00 0.72 0.18 0.99 -0.25 0.00 0.00 175.29 176.93 2k5l s THR 12 N -1.19 4.49 0.28 -0.19 2.01 -1.26 -1.97 115.64 117.81 2k5l s THR 12 Ca 0.22 -0.77 0.09 0.00 0.31 0.00 0.00 61.69 61.54 2k5l s THR 12 Cb -0.12 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 2k5l s THR 12 CO 0.12 -0.14 0.02 0.68 -0.69 0.00 0.00 174.62 174.61 2k5l s VAL 13 N 1.55 3.38 -0.06 3.82 -7.23 -0.55 -3.10 120.40 118.22 2k5l s VAL 13 Ca 0.02 -1.87 0.05 0.00 -1.81 0.00 0.00 61.98 58.38 2k5l s VAL 13 Cb -0.19 -2.88 -0.01 0.00 0.56 0.00 0.00 36.38 33.87 2k5l s VAL 13 CO 0.06 -0.34 -0.23 -0.75 -0.31 0.00 0.00 175.10 173.53 2k5l s LYS 14 N -3.71 2.47 -0.07 4.82 2.20 0.22 0.92 119.74 126.59 2k5l s LYS 14 Ca 0.33 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 2k5l s LYS 14 Cb -0.06 -2.06 -0.04 0.00 -1.51 0.00 0.00 37.83 34.16 2k5l s LYS 14 CO 0.20 0.32 1.44 0.08 -0.36 0.00 0.00 175.35 177.04 2k5l s VAL 15 N -0.04 3.84 -0.07 4.02 1.01 0.59 0.10 120.40 129.85 2k5l s VAL 15 Ca -0.06 1.10 0.05 0.00 0.00 0.00 0.00 61.98 63.07 2k5l s VAL 15 Cb -0.14 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 2k5l s VAL 15 CO 0.04 -0.06 0.00 1.33 0.00 0.00 0.00 175.10 176.41 2k5l n VAL 16 N 5.15 0.47 -3.78 2.92 0.24 -0.68 -0.24 118.33 122.41 2k5l n VAL 16 Ca 0.15 -0.27 -0.19 0.00 -2.04 0.00 0.00 64.34 61.99 2k5l n VAL 16 Cb 0.44 -0.82 -0.17 0.00 -1.47 0.00 0.00 33.84 31.82 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 -2.17 0.19 -0.47 7.34 2.47 -0.21 -4.89 119.74 122.01 2k5l s LYS 17 Ca -0.05 0.21 -0.12 0.00 -1.56 0.00 0.00 55.97 54.45 2k5l s LYS 17 Cb 0.02 -0.58 0.10 0.00 -1.46 0.00 0.00 37.83 35.91 2k5l s LYS 17 CO 0.26 -0.25 0.36 -0.51 0.16 0.00 0.00 175.35 175.37 2k5l s LEU 18 N 1.67 5.60 0.90 5.43 1.43 -1.26 -1.68 118.68 130.76 2k5l s LEU 18 Ca -0.01 -1.61 -0.14 0.00 -1.03 0.00 0.00 54.13 51.34 2k5l s LEU 18 Cb -0.13 -2.09 0.14 0.00 0.03 0.00 0.00 46.19 44.15 2k5l s LEU 18 CO -0.03 -0.66 1.22 -1.00 0.23 0.00 0.00 176.35 176.10 2k5l s HIS 19 N 1.50 2.30 0.00 0.29 3.76 -1.21 -4.96 115.29 116.98 2k5l s HIS 19 Ca 0.04 0.60 0.00 0.00 -0.15 0.00 0.00 55.06 55.55 2k5l s HIS 19 Cb -0.25 -3.70 0.00 0.00 1.11 0.00 0.00 32.58 29.74 2k5l s HIS 19 CO 0.03 -2.27 0.00 0.41 -0.85 0.00 0.00 174.74 172.06 2k5l n GLY 20 N -3.20 0.36 2.81 -2.22 0.00 -1.26 -4.44 105.19 97.24 2k5l n GLY 20 Ca 0.11 -1.99 -0.25 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.31 0.62 0.00 2.61 2.01 -1.26 -4.81 115.64 113.50 2k5l s THR 21 Ca 0.00 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.91 2k5l s THR 21 Cb 0.00 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.74 2k5l s THR 21 CO 0.00 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 2k5l n GLY 22 N 5.06 0.59 0.21 4.40 0.00 -1.26 -3.70 105.19 110.50 2k5l n GLY 22 Ca -0.09 0.56 -0.06 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.80 0.13 0.01 4.61 0.00 -1.98 0.65 119.26 121.90 2k5l h ALA 23 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2k5l h ALA 23 Cb 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2k5l h ALA 23 CO 0.00 -0.53 -0.10 -0.07 0.00 0.00 0.00 179.25 178.55 2k5l h LEU 24 N -0.09 -0.29 0.31 0.00 -0.00 -1.92 0.76 115.31 114.08 2k5l h LEU 24 Ca 0.18 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 58.09 2k5l h LEU 24 Cb 0.36 0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2k5l h LEU 24 CO -0.42 -0.15 -0.16 0.11 -0.00 0.00 0.00 178.44 177.82 2k5l h LYS 25 N -0.18 -0.42 -0.98 1.13 1.57 -1.56 -2.51 116.57 113.61 2k5l h LYS 25 Ca 0.03 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 2k5l h LYS 25 Cb 0.23 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 2k5l h LYS 25 CO -0.09 -0.28 0.63 -0.09 -0.57 0.00 0.00 179.45 179.05 2k5l h ARG 26 N -0.43 1.14 0.15 3.15 1.12 0.43 0.25 114.38 120.18 2k5l h ARG 26 Ca -0.04 -0.07 -0.01 0.00 -1.11 0.00 0.00 59.98 58.76 2k5l h ARG 26 Cb 0.34 -0.26 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 2k5l h ARG 26 CO 0.06 0.75 -0.07 -0.09 -3.11 0.00 0.00 179.97 177.51 2k5l h ARG 27 N 1.18 -0.19 -0.28 0.20 9.65 -0.68 -0.77 114.38 123.48 2k5l h ARG 27 Ca 0.41 0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 59.22 2k5l h ARG 27 Cb 0.12 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 2k5l h ARG 27 CO -0.16 -0.10 -0.16 0.82 2.80 0.00 0.00 179.97 183.17 2k5l h ILE 28 N -0.23 1.30 -0.26 1.20 2.04 -1.00 -3.24 117.51 117.31 2k5l h ILE 28 Ca -0.02 -1.27 -0.08 0.00 1.00 0.00 0.00 64.86 64.49 2k5l h ILE 28 Cb 0.18 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2k5l h ILE 28 CO 0.03 0.40 -0.19 0.24 0.00 0.00 0.00 178.15 178.64 2k5l h MET 29 N 0.34 0.46 0.00 2.37 2.86 -0.27 -2.47 114.93 118.23 2k5l h MET 29 Ca 0.06 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2k5l h MET 29 Cb 0.69 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 2k5l h MET 29 CO 0.05 0.63 -0.13 0.22 1.06 0.00 0.00 176.91 178.74 2k5l h ASP 30 N 0.42 0.00 0.39 1.22 3.58 -1.16 -0.47 116.42 120.40 2k5l h ASP 30 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2k5l h ASP 30 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2k5l h ASP 30 CO 0.04 0.13 -0.02 0.23 -2.88 0.00 0.00 179.24 176.73 2k5l n MET 31 N -4.15 0.63 0.00 0.28 2.81 -0.96 -4.85 117.12 110.89 2k5l n MET 31 Ca -0.02 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 2k5l n MET 31 Cb 0.21 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 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 1.22 0.67 3.39 3.03 0.00 -0.19 -4.99 105.19 108.32 2k5l n GLY 32 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 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 4.96 0.14 -0.61 1.01 -1.05 -4.93 121.20 118.72 2k5l s ILE 33 Ca 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 2k5l s ILE 33 Cb 0.00 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2k5l s ILE 33 CO 0.00 -0.91 0.05 0.28 0.00 0.00 0.00 174.94 174.37 2k5l s THR 34 N 2.34 0.19 0.11 2.92 -1.32 -1.26 -2.61 115.64 116.01 2k5l s THR 34 Ca 0.10 -1.93 -0.31 0.00 -1.21 0.00 0.00 61.69 58.34 2k5l s THR 34 Cb -0.24 -2.09 -0.10 0.00 -1.51 0.00 0.00 72.50 68.56 2k5l s THR 34 CO 0.07 -0.43 1.80 0.00 -2.21 0.00 0.00 174.62 173.85 2k5l s ARG 35 N -4.03 4.15 0.00 7.08 3.03 -1.26 -1.57 118.95 126.35 2k5l s ARG 35 Ca 0.25 2.54 0.00 0.00 2.03 0.00 0.00 55.73 60.55 2k5l s ARG 35 Cb 0.07 -3.63 0.00 0.00 -1.03 0.00 0.00 34.95 30.36 2k5l s ARG 35 CO 0.03 -0.83 0.00 0.41 -1.13 0.00 0.00 175.30 173.78 2k5l n GLY 36 N 4.20 1.21 3.85 3.88 0.00 0.67 -4.99 105.19 114.01 2k5l n GLY 36 Ca 0.17 -0.17 -0.32 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 -3.39 3.18 -0.05 0.00 1.03 -1.26 -0.30 118.70 117.91 2k5l s GLU 38 Ca 0.55 -0.93 0.00 0.00 0.03 0.00 0.00 54.97 54.63 2k5l s GLU 38 Cb -0.10 -2.74 0.02 0.00 -0.80 0.00 0.00 34.13 30.51 2k5l s GLU 38 CO 0.22 0.35 -0.02 0.42 -1.33 0.00 0.00 175.26 174.90 2k5l s ILE 39 N -2.08 0.44 -0.33 1.83 1.01 0.26 -4.56 121.20 117.78 2k5l s ILE 39 Ca 0.35 -0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.77 2k5l s ILE 39 Cb -0.08 -0.52 -0.00 0.00 0.01 0.00 0.00 42.46 41.87 2k5l s ILE 39 CO 0.28 0.23 0.68 -0.47 0.00 0.00 0.00 174.94 175.66 2k5l s TYR 40 N 1.27 3.18 -0.16 3.97 5.04 -0.87 -1.48 117.35 128.29 2k5l s TYR 40 Ca -0.06 0.56 -0.28 0.00 -2.44 0.00 0.00 57.07 54.86 2k5l s TYR 40 Cb -0.14 -3.13 -0.01 0.00 0.35 0.00 0.00 41.96 39.04 2k5l s TYR 40 CO -0.02 -0.57 0.96 0.42 -1.34 0.00 0.00 175.55 175.01 2k5l s ILE 41 N 2.77 4.78 -0.16 3.14 1.01 -0.83 0.00 121.20 131.91 2k5l s ILE 41 Ca 0.27 1.91 -0.12 0.00 0.00 0.00 0.00 60.65 62.71 2k5l s ILE 41 Cb -0.14 -4.26 -0.07 0.00 0.01 0.00 0.00 42.46 38.00 2k5l s ILE 41 CO 0.13 -0.04 -0.09 0.54 0.00 0.00 0.00 174.94 175.48 2k5l n ARG 42 N 5.48 0.48 -3.63 2.79 5.12 0.28 -0.69 116.66 126.49 2k5l n ARG 42 Ca 0.08 0.53 -0.22 0.00 -1.93 0.00 0.00 57.85 56.31 2k5l n ARG 42 Cb 0.48 -1.70 -0.17 0.00 -1.16 0.00 0.00 32.46 29.91 2k5l n ARG 42 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2k5l s LYS 43 N -2.28 0.02 -0.18 5.56 -0.14 -0.06 -4.49 119.74 118.17 2k5l s LYS 43 Ca -0.19 0.17 -0.02 0.00 -1.36 0.00 0.00 55.97 54.58 2k5l s LYS 43 Cb 0.03 -1.15 -0.01 0.00 -1.68 0.00 0.00 37.83 35.03 2k5l s LYS 43 CO 0.32 -0.51 -0.10 0.08 -0.76 0.00 0.00 175.35 174.38 2k5l s VAL 44 N 2.18 3.11 0.41 3.17 1.01 -1.26 0.16 120.40 129.17 2k5l s VAL 44 Ca 0.04 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.16 2k5l s VAL 44 Cb -0.14 -2.36 -0.08 0.00 0.00 0.00 0.00 36.38 33.80 2k5l s VAL 44 CO -0.07 0.48 1.19 0.00 0.00 0.00 0.00 175.10 176.71 2k5l s ALA 45 N 0.94 3.15 0.56 5.51 0.00 -1.10 -4.85 121.76 125.97 2k5l s ALA 45 Ca -0.02 1.01 0.25 0.00 0.00 0.00 0.00 51.96 53.21 2k5l s ALA 45 Cb -0.15 -3.40 1.51 0.00 0.00 0.00 0.00 23.12 21.08 2k5l s ALA 45 CO -0.00 -0.60 2.08 -1.35 0.00 0.00 0.00 175.76 175.88 2k5l h PRO 46 N 2.57 0.00 0.10 0.00 0.11 -1.95 -1.66 132.00 131.17 2k5l h PRO 46 Ca -0.49 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.38 2k5l h PRO 46 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2k5l h PRO 46 CO 0.62 0.00 -1.24 1.25 -0.21 0.00 0.00 178.00 178.42 2k5l h LEU 47 N 0.00 0.34 0.00 2.35 6.46 -2.00 -3.50 115.31 118.97 2k5l h LEU 47 Ca 0.12 -0.85 0.00 0.00 -0.12 0.00 0.00 57.88 57.03 2k5l h LEU 47 Cb 0.54 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2k5l h LEU 47 CO -0.00 1.54 0.00 0.61 -0.62 0.00 0.00 178.44 179.97 2k5l n GLY 48 N 1.70 -1.43 3.85 3.75 0.00 -0.63 -5.13 105.19 107.30 2k5l n GLY 48 Ca -0.23 0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.00 6.74 0.58 1.61 -4.77 -1.26 -2.71 116.67 112.86 2k5l s ASP 49 Ca 0.00 1.34 -0.04 0.00 -3.30 0.00 0.00 52.55 50.55 2k5l s ASP 49 Cb 0.00 -2.40 0.02 0.00 -1.09 0.00 0.00 42.92 39.45 2k5l s ASP 49 CO 0.00 -0.30 0.86 -2.16 0.70 0.00 0.00 175.17 174.27 2k5l s PRO 50 N -3.26 2.77 -0.34 2.11 0.04 -1.26 -4.63 135.00 130.42 2k5l s PRO 50 Ca 0.55 -0.24 0.02 0.00 0.04 0.00 0.00 61.00 61.37 2k5l s PRO 50 Cb -0.10 -2.34 0.09 0.00 0.04 0.00 0.00 34.50 32.20 2k5l s PRO 50 CO 0.20 -0.72 0.06 0.42 0.04 0.00 0.00 177.00 177.01 2k5l s ILE 51 N -2.92 2.58 -0.14 0.56 1.09 0.70 -3.02 121.20 120.05 2k5l s ILE 51 Ca 0.54 -2.08 -0.21 0.00 -1.10 0.00 0.00 60.65 57.80 2k5l s ILE 51 Cb -0.10 -2.78 -0.03 0.00 -1.06 0.00 0.00 42.46 38.49 2k5l s ILE 51 CO 0.43 -0.49 0.61 -1.10 -0.10 0.00 0.00 174.94 174.28 2k5l s GLN 52 N 1.02 4.31 0.05 2.79 -0.21 0.12 -0.44 119.66 127.31 2k5l s GLN 52 Ca 0.06 0.65 0.02 0.00 0.02 0.00 0.00 55.36 56.11 2k5l s GLN 52 Cb -0.20 -3.50 -0.03 0.00 1.00 0.00 0.00 33.01 30.28 2k5l s GLN 52 CO -0.06 -0.05 -0.08 0.96 -2.12 0.00 0.00 175.29 173.94 2k5l s ILE 53 N 1.26 0.59 -0.32 1.08 -4.36 0.63 -0.56 121.20 119.52 2k5l s ILE 53 Ca 0.30 -1.22 -0.05 0.00 -0.26 0.00 0.00 60.65 59.42 2k5l s ILE 53 Cb -0.16 -0.79 0.04 0.00 1.25 0.00 0.00 42.46 42.80 2k5l s ILE 53 CO 0.12 -0.45 0.07 0.21 0.24 0.00 0.00 174.94 175.14 2k5l s ASN 54 N -1.81 5.16 -0.22 4.36 3.84 0.10 0.39 114.94 126.76 2k5l s ASN 54 Ca -0.06 -1.10 -0.02 0.00 0.21 0.00 0.00 52.86 51.88 2k5l s ASN 54 Cb -0.08 -1.83 0.01 0.00 -0.55 0.00 0.00 41.25 38.80 2k5l s ASN 54 CO -0.00 -0.29 -0.07 -0.69 -2.79 0.00 0.00 177.10 173.25 2k5l s VAL 55 N 1.38 3.00 0.00 -5.21 1.01 0.33 -2.06 120.40 118.85 2k5l s VAL 55 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2k5l s VAL 55 Cb -0.19 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2k5l s VAL 55 CO 0.02 0.38 0.00 0.54 0.00 0.00 0.00 175.10 176.03 2k5l n ARG 56 N 4.73 0.00 0.00 2.72 1.74 -1.26 -1.33 116.66 123.26 2k5l n ARG 56 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 2k5l n ARG 56 Cb 0.50 -3.00 0.00 0.00 -1.02 0.00 0.00 32.46 28.93 2k5l n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k5l n GLY 57 N -2.00 1.71 3.75 -0.13 0.00 -1.26 -5.11 105.19 102.14 2k5l n GLY 57 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.21 3.60 -0.20 1.61 2.02 -0.44 -5.05 117.35 117.67 2k5l s TYR 58 Ca 0.00 1.03 -0.20 0.00 -0.37 0.00 0.00 57.07 57.53 2k5l s TYR 58 Cb 0.00 -2.56 -0.03 0.00 -0.40 0.00 0.00 41.96 38.97 2k5l s TYR 58 CO 0.00 0.27 0.57 -2.00 -1.57 0.00 0.00 175.55 172.82 2k5l s GLU 59 N 0.19 4.21 0.20 -0.62 2.12 -1.26 -0.51 118.70 123.02 2k5l s GLU 59 Ca 0.28 0.51 0.10 0.00 0.36 0.00 0.00 54.97 56.22 2k5l s GLU 59 Cb -0.16 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 2k5l s GLU 59 CO 0.13 -0.18 -0.19 -0.51 -0.54 0.00 0.00 175.26 173.97 2k5l s LEU 60 N 1.74 2.49 -0.22 2.70 1.43 0.16 -4.97 118.68 122.01 2k5l s LEU 60 Ca 0.26 -0.93 -0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2k5l s LEU 60 Cb -0.16 -0.91 0.06 0.00 0.03 0.00 0.00 46.19 45.21 2k5l s LEU 60 CO 0.10 -0.02 -0.04 -0.55 0.23 0.00 0.00 176.35 176.07 2k5l s SER 61 N -2.96 3.55 0.24 2.29 0.15 -1.26 -0.27 113.70 115.44 2k5l s SER 61 Ca 0.21 -1.05 0.07 0.00 0.70 0.00 0.00 55.95 55.88 2k5l s SER 61 Cb -0.05 -1.05 -0.04 0.00 -1.71 0.00 0.00 66.02 63.18 2k5l s SER 61 CO 0.09 -0.24 0.17 -0.76 1.20 0.00 0.00 173.24 173.70 2k5l s LEU 62 N 1.51 3.76 0.60 3.45 1.43 0.42 -4.91 118.68 124.93 2k5l s LEU 62 Ca -0.04 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2k5l s LEU 62 Cb -0.18 -2.30 0.04 0.00 0.03 0.00 0.00 46.19 43.78 2k5l s LEU 62 CO -0.07 -0.02 0.87 -0.60 0.23 0.00 0.00 176.35 176.76 2k5l s ARG 63 N -3.73 2.50 0.22 1.70 6.06 -1.26 -0.21 118.95 124.22 2k5l s ARG 63 Ca 0.32 -0.49 -0.08 0.00 -2.50 0.00 0.00 55.73 52.98 2k5l s ARG 63 Cb -0.08 -2.36 0.22 0.00 0.06 0.00 0.00 34.95 32.80 2k5l s ARG 63 CO 0.24 -0.87 1.87 -0.22 -2.50 0.00 0.00 175.30 173.83 2k5l h LYS 64 N -0.17 0.98 -0.52 5.12 3.11 -1.93 -1.82 116.57 121.35 2k5l h LYS 64 Ca -0.44 -0.06 0.05 0.00 -2.81 0.00 0.00 60.65 57.39 2k5l h LYS 64 Cb 1.30 -0.22 -0.05 0.00 -1.00 0.00 0.00 32.23 32.26 2k5l h LYS 64 CO 0.56 0.65 0.25 0.77 -2.81 0.00 0.00 179.45 178.88 2k5l h SER 65 N 1.01 0.35 -0.11 4.20 0.02 -1.97 0.17 113.55 117.21 2k5l h SER 65 Ca 0.31 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 61.19 2k5l h SER 65 Cb -0.02 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2k5l h SER 65 CO -0.10 0.24 -0.33 0.00 -1.14 0.00 0.00 176.83 175.49 2k5l h ALA 66 N 1.29 0.19 -0.30 3.77 0.00 -1.87 -2.71 119.26 119.63 2k5l h ALA 66 Ca 0.23 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2k5l h ALA 66 Cb 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2k5l h ALA 66 CO -0.17 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.33 2k5l h ALA 67 N 0.50 1.44 0.00 0.00 0.00 -1.08 -2.53 119.26 117.60 2k5l h ALA 67 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k5l h ALA 67 Cb 0.95 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2k5l h ALA 67 CO 0.07 0.40 -0.31 -1.91 0.00 0.00 0.00 179.25 177.49 2k5l n GLU 68 N -4.30 0.20 0.00 0.00 2.13 0.56 -1.93 120.64 117.29 2k5l n GLU 68 Ca 0.01 0.10 0.12 0.00 0.66 0.00 0.00 57.16 58.06 2k5l n GLU 68 Cb 0.23 -1.67 0.19 0.00 0.27 0.00 0.00 31.44 30.46 2k5l n GLU 68 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k5l n MET 69 N -1.98 1.93 -4.04 5.31 0.00 -0.97 -4.80 117.12 112.58 2k5l n MET 69 Ca 0.05 -1.50 -0.35 0.00 0.00 0.00 0.00 57.70 55.90 2k5l n MET 69 Cb 0.41 -1.47 -0.11 0.00 0.00 0.00 0.00 33.22 32.04 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 -2.10 4.40 -0.22 3.17 -1.09 -1.14 -3.30 121.20 120.92 2k5l s ILE 70 Ca 0.28 -0.17 -0.13 0.00 -2.23 0.00 0.00 60.65 58.41 2k5l s ILE 70 Cb 0.20 -2.99 -0.04 0.00 -1.58 0.00 0.00 42.46 38.04 2k5l s ILE 70 CO 0.36 0.43 0.28 -0.70 -1.23 0.00 0.00 174.94 174.08 2k5l s GLU 71 N 0.76 4.12 0.20 2.79 2.12 -0.68 -0.71 118.70 127.31 2k5l s GLU 71 Ca 0.02 -0.04 0.07 0.00 0.36 0.00 0.00 54.97 55.39 2k5l s GLU 71 Cb -0.14 -3.53 -0.05 0.00 0.26 0.00 0.00 34.13 30.67 2k5l s GLU 71 CO 0.02 0.02 -0.13 0.14 -0.54 0.00 0.00 175.26 174.77 2k5l s VAL 72 N 1.16 1.67 -0.22 3.70 -7.23 0.78 -1.04 120.40 119.22 2k5l s VAL 72 Ca 0.13 -2.19 -0.08 0.00 -1.81 0.00 0.00 61.98 58.03 2k5l s VAL 72 Cb -0.14 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 2k5l s VAL 72 CO 0.06 -0.59 0.07 -0.70 -0.31 0.00 0.00 175.10 173.63 2k5l s GLU 73 N -3.66 3.83 -0.07 4.82 2.12 0.28 -4.42 118.70 121.60 2k5l s GLU 73 Ca 0.22 -0.40 -0.08 0.00 0.36 0.00 0.00 54.97 55.07 2k5l s GLU 73 Cb -0.00 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 2k5l s GLU 73 CO 0.06 0.03 0.21 -1.17 -0.54 0.00 0.00 175.26 173.85 2k5l s LEU 74 N 1.03 4.40 -0.28 2.70 2.96 -1.26 0.70 118.68 128.93 2k5l s LEU 74 Ca 0.04 0.55 -0.38 0.00 -0.22 0.00 0.00 54.13 54.13 2k5l s LEU 74 Cb -0.14 -2.29 -0.14 0.00 0.50 0.00 0.00 46.19 44.13 2k5l s LEU 74 CO 0.03 0.36 1.92 1.21 -1.32 0.00 0.00 176.35 178.55 2k5l n GLU 75 N 1.75 1.27 -3.86 1.98 0.00 -1.18 -4.93 120.64 115.66 2k5l n GLU 75 Ca -0.17 0.43 -0.27 0.00 0.00 0.00 0.00 57.16 57.16 2k5l n GLU 75 Cb 0.54 -2.28 -0.17 0.00 0.00 0.00 0.00 31.44 29.53 2k5l n GLU 75 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 2k5l s HIS 76 N 4.88 1.41 0.14 4.31 -3.43 -1.26 -5.07 115.29 116.27 2k5l s HIS 76 Ca 1.02 -0.80 -0.07 0.00 -0.80 0.00 0.00 55.06 54.41 2k5l s HIS 76 Cb -0.96 -1.18 -0.02 0.00 -1.43 0.00 0.00 32.58 28.99 2k5l s HIS 76 CO 0.58 -0.54 0.21 -1.01 -2.00 0.00 0.00 174.74 171.99 2k5l s HIS 77 N 1.73 0.47 0.00 0.38 3.76 -1.26 -4.84 115.29 115.53 2k5l s HIS 77 Ca 0.03 -0.85 0.00 0.00 -0.15 0.00 0.00 55.06 54.09 2k5l s HIS 77 Cb -0.14 -0.16 0.00 0.00 1.11 0.00 0.00 32.58 33.39 2k5l s HIS 77 CO -0.07 -0.63 0.00 0.72 -0.85 0.00 0.00 174.74 173.90 2k5l n HIS 78 N -0.15 0.00 -2.25 1.40 8.25 -1.26 -4.88 115.22 116.33 2k5l n HIS 78 Ca -0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.96 2k5l n HIS 78 Cb 0.63 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2k5l n HIS 78 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k5l n HIS 79 N -2.00 2.77 0.16 4.41 -0.00 -1.26 -4.68 115.22 114.62 2k5l n HIS 79 Ca 0.00 -2.78 0.01 0.00 -0.00 0.00 0.00 57.72 54.94 2k5l n HIS 79 Cb 0.00 -1.87 0.29 0.00 -0.00 0.00 0.00 29.99 28.41 2k5l n HIS 79 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2k5l h HIS 80 N 5.32 0.04 -0.00 1.57 2.07 -1.99 -3.53 115.15 118.62 2k5l h HIS 80 Ca 0.49 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 58.00 2k5l h HIS 80 Cb 0.51 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.49 2k5l h HIS 80 CO 1.36 0.46 0.00 1.58 -3.07 0.00 0.00 177.93 178.27