#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 2.10 0.38 3.17 5.36 -1.26 -4.99 117.98 122.74 2k5l s PHE 2 Ca 0.00 -2.34 0.02 0.00 -0.96 0.00 0.00 56.93 53.65 2k5l s PHE 2 Cb 0.00 -1.97 0.02 0.00 -0.34 0.00 0.00 43.02 40.73 2k5l s PHE 2 CO 0.00 -0.82 0.17 0.43 -1.46 0.00 0.00 175.22 173.54 2k5l n SER 3 N 3.90 2.55 0.31 6.13 7.64 -1.26 -1.29 113.62 131.60 2k5l n SER 3 Ca 0.05 -2.44 0.19 0.00 1.01 0.00 0.00 58.87 57.68 2k5l n SER 3 Cb 0.37 0.09 1.01 0.00 -1.01 0.00 0.00 64.21 64.67 2k5l n SER 3 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k5l h LEU 4 N 0.00 0.00 -0.05 -3.43 5.85 0.48 0.76 115.31 118.92 2k5l h LEU 4 Ca -0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2k5l h LEU 4 Cb 0.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2k5l h LEU 4 CO 0.43 0.02 0.00 -2.11 -0.34 0.00 0.00 178.44 176.44 2k5l n ARG 5 N -3.40 0.14 0.07 1.25 -4.01 -0.48 -3.44 116.66 106.80 2k5l n ARG 5 Ca -0.03 0.15 0.11 0.00 -1.04 0.00 0.00 57.85 57.05 2k5l n ARG 5 Cb 0.12 -1.68 -0.00 0.00 -3.04 0.00 0.00 32.46 27.86 2k5l n ARG 5 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 2k5l n ASP 6 N -1.93 0.69 -4.10 2.89 8.00 0.26 -4.96 116.55 117.40 2k5l n ASP 6 Ca 0.06 0.19 -0.29 0.00 0.71 0.00 0.00 54.79 55.46 2k5l n ASP 6 Cb 0.37 0.68 0.19 0.00 -0.02 0.00 0.00 41.12 42.34 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 -3.34 2.41 0.38 2.24 0.00 -1.22 -5.00 121.76 117.23 2k5l s ALA 7 Ca -0.00 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.61 2k5l s ALA 7 Cb 0.11 -2.62 0.04 0.00 0.00 0.00 0.00 23.12 20.66 2k5l s ALA 7 CO 0.80 -2.41 0.34 1.63 0.00 0.00 0.00 175.76 176.13 2k5l n LYS 8 N -3.69 0.89 -2.89 0.00 4.01 -1.26 -5.07 118.16 110.14 2k5l n LYS 8 Ca 0.16 -2.30 -0.39 0.00 -0.51 0.00 0.00 58.31 55.27 2k5l n LYS 8 Cb 0.59 0.15 -0.06 0.00 -0.51 0.00 0.00 35.03 35.21 2k5l n LYS 8 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k5l n GLY 10 N 1.30 0.72 3.83 0.00 0.00 0.58 -5.01 105.19 106.61 2k5l n GLY 10 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.01 4.10 -0.42 1.61 -1.52 -1.24 -4.75 119.66 117.42 2k5l s GLN 11 Ca 0.00 0.69 -0.12 0.00 -1.95 0.00 0.00 55.36 53.98 2k5l s GLN 11 Cb 0.00 -2.77 0.06 0.00 -0.22 0.00 0.00 33.01 30.08 2k5l s GLN 11 CO 0.00 0.35 0.29 0.99 -0.25 0.00 0.00 175.29 176.67 2k5l s THR 12 N -1.64 4.73 0.26 -0.19 2.01 -1.26 -0.80 115.64 118.75 2k5l s THR 12 Ca 0.45 -1.09 0.09 0.00 0.31 0.00 0.00 61.69 61.45 2k5l s THR 12 Cb -0.14 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2k5l s THR 12 CO 0.20 -0.44 -0.01 0.68 -0.69 0.00 0.00 174.62 174.36 2k5l s VAL 13 N 1.55 3.45 0.01 3.82 -7.23 -0.31 -3.92 120.40 117.77 2k5l s VAL 13 Ca 0.03 -1.89 0.09 0.00 -1.81 0.00 0.00 61.98 58.39 2k5l s VAL 13 Cb -0.22 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 2k5l s VAL 13 CO 0.05 -0.36 -0.26 -0.54 -0.31 0.00 0.00 175.10 173.68 2k5l s LYS 14 N -3.63 1.97 0.06 4.82 1.02 0.62 0.21 119.74 124.81 2k5l s LYS 14 Ca 0.31 -1.01 -0.30 0.00 0.02 0.00 0.00 55.97 54.99 2k5l s LYS 14 Cb -0.07 -2.01 -0.05 0.00 -0.52 0.00 0.00 37.83 35.19 2k5l s LYS 14 CO 0.20 0.54 0.98 0.08 -0.92 0.00 0.00 175.35 176.23 2k5l s VAL 15 N -0.70 4.62 -0.03 3.17 1.01 -1.14 0.12 120.40 127.46 2k5l s VAL 15 Ca 0.11 2.03 -0.00 0.00 0.00 0.00 0.00 61.98 64.11 2k5l s VAL 15 Cb -0.10 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 2k5l s VAL 15 CO 0.00 0.24 -0.03 1.33 0.00 0.00 0.00 175.10 176.65 2k5l n VAL 16 N 3.28 0.15 -4.19 2.92 0.24 0.50 -1.06 118.33 120.17 2k5l n VAL 16 Ca 0.04 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.34 62.18 2k5l n VAL 16 Cb 0.50 -0.86 -0.10 0.00 -1.47 0.00 0.00 33.84 31.91 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 -2.05 0.92 -0.16 7.34 1.02 -0.83 -4.94 119.74 121.04 2k5l s LYS 17 Ca -0.04 -1.40 -0.03 0.00 0.02 0.00 0.00 55.97 54.53 2k5l s LYS 17 Cb 0.01 -0.18 0.05 0.00 -0.52 0.00 0.00 37.83 37.19 2k5l s LYS 17 CO 0.06 -0.07 0.03 -0.51 -0.92 0.00 0.00 175.35 173.93 2k5l s LEU 18 N -3.08 1.00 0.74 3.17 1.43 -1.26 -0.77 118.68 119.90 2k5l s LEU 18 Ca 0.16 -0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 52.59 2k5l s LEU 18 Cb 0.06 -0.55 0.12 0.00 0.03 0.00 0.00 46.19 45.85 2k5l s LEU 18 CO -0.02 -0.28 1.03 -1.00 0.23 0.00 0.00 176.35 176.31 2k5l s HIS 19 N 1.90 1.95 0.00 0.29 3.76 0.18 -4.95 115.29 118.41 2k5l s HIS 19 Ca 0.01 -0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.89 2k5l s HIS 19 Cb -0.16 -3.19 0.00 0.00 1.11 0.00 0.00 32.58 30.35 2k5l s HIS 19 CO -0.07 -1.72 0.00 0.41 -0.85 0.00 0.00 174.74 172.51 2k5l n GLY 20 N -2.95 1.66 1.22 -2.22 0.00 -1.26 -4.14 105.19 97.51 2k5l n GLY 20 Ca 0.13 -2.08 -0.03 0.00 0.00 0.00 0.00 46.02 44.05 2k5l n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k5l n THR 21 N -1.47 1.40 0.00 2.61 -2.24 -1.26 -4.86 114.28 108.46 2k5l n THR 21 Ca 0.00 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2k5l n THR 21 Cb 0.00 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2k5l n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k5l n GLY 22 N 0.07 2.05 0.33 3.38 0.00 -1.26 -4.64 105.19 105.13 2k5l n GLY 22 Ca 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 1.11 -0.23 4.61 0.00 -1.97 0.00 119.26 122.78 2k5l h ALA 23 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k5l h ALA 23 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2k5l h ALA 23 CO 0.00 0.48 0.06 -0.07 0.00 0.00 0.00 179.25 179.72 2k5l h LEU 24 N 1.15 0.34 -0.38 0.00 -0.00 -1.90 -0.22 115.31 114.30 2k5l h LEU 24 Ca 0.32 -0.22 0.07 0.00 -0.00 0.00 0.00 57.88 58.06 2k5l h LEU 24 Cb -0.10 -0.09 -0.07 0.00 -0.00 0.00 0.00 40.66 40.41 2k5l h LEU 24 CO -0.08 0.47 -0.03 0.11 -0.00 0.00 0.00 178.44 178.91 2k5l h LYS 25 N 0.19 0.07 0.12 1.13 1.57 -1.59 0.17 116.57 118.23 2k5l h LYS 25 Ca 0.07 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2k5l h LYS 25 Cb 0.26 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2k5l h LYS 25 CO -0.00 0.04 -0.06 -0.09 -0.57 0.00 0.00 179.45 178.77 2k5l h ARG 26 N 0.07 -0.16 -0.42 3.15 2.43 -0.88 -0.24 114.38 118.33 2k5l h ARG 26 Ca 0.19 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.43 2k5l h ARG 26 Cb 0.27 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 2k5l h ARG 26 CO -0.34 -0.10 0.09 -0.09 -1.51 0.00 0.00 179.97 178.02 2k5l h ARG 27 N -0.18 0.21 -0.17 0.20 2.43 -0.51 0.60 114.38 116.97 2k5l h ARG 27 Ca -0.02 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2k5l h ARG 27 Cb 0.14 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2k5l h ARG 27 CO 0.03 0.14 0.04 0.82 -1.51 0.00 0.00 179.97 179.49 2k5l h ILE 28 N 0.22 0.93 -0.57 1.20 2.04 -0.46 -1.06 117.51 119.81 2k5l h ILE 28 Ca 0.21 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 2k5l h ILE 28 Cb 0.25 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2k5l h ILE 28 CO -0.27 0.02 0.26 0.24 0.00 0.00 0.00 178.15 178.40 2k5l h MET 29 N 0.11 0.83 -0.00 2.37 2.86 -0.37 -1.79 114.93 118.93 2k5l h MET 29 Ca 0.07 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2k5l h MET 29 Cb 0.06 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 2k5l h MET 29 CO -0.09 0.68 -0.09 0.22 1.06 0.00 0.00 176.91 178.69 2k5l h ASP 30 N 0.77 0.01 0.56 1.22 3.58 0.51 0.20 116.42 123.27 2k5l h ASP 30 Ca 0.19 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.64 2k5l h ASP 30 Cb 0.14 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2k5l h ASP 30 CO -0.02 0.10 0.00 0.23 -2.88 0.00 0.00 179.24 176.66 2k5l n MET 31 N -4.43 0.35 0.00 0.28 2.81 -0.43 -4.85 117.12 110.85 2k5l n MET 31 Ca -0.03 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2k5l n MET 31 Cb 0.17 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 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 1.07 0.93 3.38 3.03 0.00 0.06 -5.00 105.19 108.66 2k5l n GLY 32 Ca 0.12 0.00 -0.45 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 4.98 0.44 -0.61 1.01 -0.71 -4.94 121.20 119.38 2k5l s ILE 33 Ca 0.00 -1.44 0.06 0.00 0.00 0.00 0.00 60.65 59.27 2k5l s ILE 33 Cb 0.00 -4.54 -0.03 0.00 0.01 0.00 0.00 42.46 37.90 2k5l s ILE 33 CO 0.00 -1.18 0.20 0.42 0.00 0.00 0.00 174.94 174.38 2k5l s THR 34 N 2.12 2.08 -0.20 2.92 -4.23 -1.26 -3.33 115.64 113.74 2k5l s THR 34 Ca 0.17 -1.69 -0.29 0.00 -1.18 0.00 0.00 61.69 58.69 2k5l s THR 34 Cb -0.18 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 2k5l s THR 34 CO -0.00 0.00 1.40 -0.13 -0.54 0.00 0.00 174.62 175.35 2k5l s ARG 35 N -3.96 4.03 0.00 3.99 0.52 -1.26 -2.60 118.95 119.67 2k5l s ARG 35 Ca 0.36 1.60 0.00 0.00 -0.52 0.00 0.00 55.73 57.17 2k5l s ARG 35 Cb 0.03 -3.89 0.00 0.00 0.52 0.00 0.00 34.95 31.61 2k5l s ARG 35 CO 0.20 -0.98 0.00 0.41 0.02 0.00 0.00 175.30 174.95 2k5l n GLY 36 N 4.12 1.92 3.77 -3.53 0.00 -0.23 -4.97 105.19 106.28 2k5l n GLY 36 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.47 3.49 -0.30 0.00 2.02 -1.26 -2.87 118.70 117.31 2k5l s GLU 38 Ca 0.59 -0.26 -0.09 0.00 0.02 0.00 0.00 54.97 55.23 2k5l s GLU 38 Cb -0.28 -3.86 -0.01 0.00 0.10 0.00 0.00 34.13 30.08 2k5l s GLU 38 CO 0.35 -0.76 0.15 0.42 0.02 0.00 0.00 175.26 175.44 2k5l s ILE 39 N 2.49 4.60 -0.39 -1.63 1.01 0.13 -4.81 121.20 122.61 2k5l s ILE 39 Ca 0.19 -0.38 -0.27 0.00 0.00 0.00 0.00 60.65 60.20 2k5l s ILE 39 Cb -0.15 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 39.01 2k5l s ILE 39 CO 0.15 0.10 0.98 -0.47 0.00 0.00 0.00 174.94 175.69 2k5l s TYR 40 N 1.62 3.04 -0.21 3.97 5.04 -1.20 -1.16 117.35 128.44 2k5l s TYR 40 Ca 0.05 0.79 -0.29 0.00 -2.44 0.00 0.00 57.07 55.17 2k5l s TYR 40 Cb -0.17 -3.79 0.00 0.00 0.35 0.00 0.00 41.96 38.35 2k5l s TYR 40 CO 0.06 -0.90 1.12 0.42 -1.34 0.00 0.00 175.55 174.91 2k5l s ILE 41 N 3.66 4.53 -0.09 3.14 1.01 0.02 0.01 121.20 133.48 2k5l s ILE 41 Ca 0.40 1.85 -0.06 0.00 0.00 0.00 0.00 60.65 62.84 2k5l s ILE 41 Cb -0.11 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2k5l s ILE 41 CO 0.21 -0.18 0.20 -0.09 0.00 0.00 0.00 174.94 175.08 2k5l h ARG 42 N 7.75 -0.08 -3.28 2.79 9.65 -0.53 0.17 114.38 130.84 2k5l h ARG 42 Ca -0.22 0.01 -0.22 0.00 -1.10 0.00 0.00 59.98 58.45 2k5l h ARG 42 Cb 1.08 0.02 -0.29 0.00 -1.39 0.00 0.00 29.97 29.38 2k5l h ARG 42 CO 0.98 0.05 -0.57 0.15 2.80 0.00 0.00 179.97 183.38 2k5l s LYS 43 N -1.95 0.13 -0.14 0.20 -0.14 -0.61 -4.08 119.74 113.15 2k5l s LYS 43 Ca -0.03 0.32 0.02 0.00 -1.36 0.00 0.00 55.97 54.92 2k5l s LYS 43 Cb -0.00 -0.07 0.01 0.00 -1.68 0.00 0.00 37.83 36.09 2k5l s LYS 43 CO 0.12 -0.11 -0.21 0.08 -0.76 0.00 0.00 175.35 174.48 2k5l s VAL 44 N 0.73 1.97 0.41 3.17 1.01 -1.26 -0.38 120.40 126.06 2k5l s VAL 44 Ca -0.05 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 2k5l s VAL 44 Cb -0.07 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.47 2k5l s VAL 44 CO -0.04 0.53 1.13 0.00 0.00 0.00 0.00 175.10 176.73 2k5l s ALA 45 N 0.89 3.09 0.53 5.51 0.00 -1.19 -4.92 121.76 125.67 2k5l s ALA 45 Ca -0.06 0.88 0.33 0.00 0.00 0.00 0.00 51.96 53.11 2k5l s ALA 45 Cb -0.15 -3.35 1.85 0.00 0.00 0.00 0.00 23.12 21.47 2k5l s ALA 45 CO -0.03 -0.47 2.22 -1.00 0.00 0.00 0.00 175.76 176.48 2k5l h PRO 46 N 2.44 0.00 -0.48 0.00 0.13 -1.94 0.39 132.00 132.55 2k5l h PRO 46 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k5l h PRO 46 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2k5l h PRO 46 CO 0.62 0.03 0.00 1.47 -0.23 0.00 0.00 178.00 179.89 2k5l n LEU 47 N -3.55 2.57 0.00 1.56 -0.00 -1.26 -4.98 117.00 111.34 2k5l n LEU 47 Ca -0.02 -1.28 0.00 0.00 -0.00 0.00 0.00 56.01 54.70 2k5l n LEU 47 Cb 0.13 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 2k5l n LEU 47 CO 0.26 0.64 0.00 0.61 -0.00 0.00 0.00 177.39 178.90 2k5l n GLY 48 N 1.27 2.07 3.81 1.47 0.00 0.13 -4.97 105.19 108.96 2k5l n GLY 48 Ca 0.16 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.86 5.43 0.47 1.61 -4.77 -1.26 -3.32 116.67 110.97 2k5l s ASP 49 Ca 0.00 -0.29 -0.17 0.00 -3.30 0.00 0.00 52.55 48.79 2k5l s ASP 49 Cb 0.00 -1.34 -0.08 0.00 -1.09 0.00 0.00 42.92 40.40 2k5l s ASP 49 CO 0.00 -0.04 0.94 -2.16 0.70 0.00 0.00 175.17 174.60 2k5l s PRO 50 N -3.83 3.99 -0.28 2.11 0.04 -1.26 -4.70 135.00 131.07 2k5l s PRO 50 Ca 0.33 0.91 -0.06 0.00 0.04 0.00 0.00 61.00 62.21 2k5l s PRO 50 Cb -0.08 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2k5l s PRO 50 CO 0.25 -0.16 0.06 0.42 0.04 0.00 0.00 177.00 177.60 2k5l s ILE 51 N -2.46 3.91 -0.26 0.56 1.01 0.75 -3.20 121.20 121.51 2k5l s ILE 51 Ca 0.58 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 60.48 2k5l s ILE 51 Cb -0.10 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 2k5l s ILE 51 CO 0.27 0.14 0.24 -1.10 0.00 0.00 0.00 174.94 174.49 2k5l s GLN 52 N 1.50 4.01 0.13 2.79 -0.21 0.49 -0.77 119.66 127.60 2k5l s GLN 52 Ca 0.03 -0.19 0.10 0.00 0.02 0.00 0.00 55.36 55.33 2k5l s GLN 52 Cb -0.17 -3.62 -0.04 0.00 1.00 0.00 0.00 33.01 30.18 2k5l s GLN 52 CO 0.02 -0.14 -0.25 0.96 -2.12 0.00 0.00 175.29 173.76 2k5l s ILE 53 N 1.65 2.14 -0.33 1.08 -4.36 0.12 0.24 121.20 121.73 2k5l s ILE 53 Ca 0.10 -1.76 -0.06 0.00 -0.26 0.00 0.00 60.65 58.67 2k5l s ILE 53 Cb -0.15 -1.92 0.04 0.00 1.25 0.00 0.00 42.46 41.68 2k5l s ILE 53 CO 0.09 0.02 0.10 0.21 0.24 0.00 0.00 174.94 175.60 2k5l s ASN 54 N -2.13 5.28 -0.16 4.36 2.47 0.10 0.33 114.94 125.19 2k5l s ASN 54 Ca 0.13 -1.13 -0.02 0.00 0.42 0.00 0.00 52.86 52.27 2k5l s ASN 54 Cb -0.10 -1.86 -0.02 0.00 -1.45 0.00 0.00 41.25 37.83 2k5l s ASN 54 CO 0.06 -0.32 -0.08 -0.69 -3.72 0.00 0.00 177.10 172.35 2k5l s VAL 55 N 1.40 3.41 0.00 -5.21 1.01 -0.21 -3.24 120.40 117.55 2k5l s VAL 55 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2k5l s VAL 55 Cb -0.19 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2k5l s VAL 55 CO 0.03 0.50 0.00 0.54 0.00 0.00 0.00 175.10 176.16 2k5l n ARG 56 N 3.75 0.00 -0.40 2.72 5.12 -1.26 -0.90 116.66 125.69 2k5l n ARG 56 Ca -0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 2k5l n ARG 56 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 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 0.81 3.14 -0.13 0.00 -1.26 -5.11 105.19 102.63 2k5l n GLY 57 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 1.91 -0.11 1.61 5.04 -0.08 -5.12 117.35 120.61 2k5l s TYR 58 Ca 0.00 -0.65 -0.19 0.00 -2.44 0.00 0.00 57.07 53.79 2k5l s TYR 58 Cb 0.00 -1.30 -0.04 0.00 0.35 0.00 0.00 41.96 40.96 2k5l s TYR 58 CO 0.00 -0.26 0.50 -1.21 -1.34 0.00 0.00 175.55 173.24 2k5l s GLU 59 N 0.25 4.33 -0.15 4.97 2.02 -1.26 -1.05 118.70 127.81 2k5l s GLU 59 Ca -0.10 0.49 0.00 0.00 0.02 0.00 0.00 54.97 55.38 2k5l s GLU 59 Cb -0.14 -3.43 -0.00 0.00 0.10 0.00 0.00 34.13 30.66 2k5l s GLU 59 CO 0.04 0.18 -0.15 -0.51 0.02 0.00 0.00 175.26 174.84 2k5l s LEU 60 N 0.54 2.51 -0.46 1.80 1.43 0.15 -4.95 118.68 119.70 2k5l s LEU 60 Ca 0.27 -0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 52.74 2k5l s LEU 60 Cb -0.15 -1.57 0.05 0.00 0.03 0.00 0.00 46.19 44.55 2k5l s LEU 60 CO 0.11 0.09 0.47 -0.55 0.23 0.00 0.00 176.35 176.71 2k5l s SER 61 N 0.78 6.18 -0.04 2.29 0.15 -1.26 -0.70 113.70 121.10 2k5l s SER 61 Ca -0.06 -0.98 0.01 0.00 0.70 0.00 0.00 55.95 55.63 2k5l s SER 61 Cb -0.15 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 61.90 2k5l s SER 61 CO 0.01 -0.69 -0.04 -0.76 1.20 0.00 0.00 173.24 172.95 2k5l s LEU 62 N 2.09 3.29 0.88 3.45 1.43 0.05 -4.92 118.68 124.95 2k5l s LEU 62 Ca 0.10 -0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 53.04 2k5l s LEU 62 Cb -0.20 -1.81 0.12 0.00 0.03 0.00 0.00 46.19 44.33 2k5l s LEU 62 CO 0.11 0.32 1.19 -0.13 0.23 0.00 0.00 176.35 178.07 2k5l s ARG 63 N -1.15 1.42 0.34 1.70 1.81 -1.26 -0.18 118.95 121.63 2k5l s ARG 63 Ca 0.15 0.07 0.04 0.00 -1.72 0.00 0.00 55.73 54.27 2k5l s ARG 63 Cb -0.11 -1.89 0.68 0.00 -0.45 0.00 0.00 34.95 33.17 2k5l s ARG 63 CO 0.05 -1.97 1.94 -0.22 -0.68 0.00 0.00 175.30 174.42 2k5l h LYS 64 N -1.33 0.82 -0.49 3.54 3.11 -1.94 -2.19 116.57 118.10 2k5l h LYS 64 Ca -0.47 -0.05 0.01 0.00 -2.81 0.00 0.00 60.65 57.33 2k5l h LYS 64 Cb 1.31 -0.18 -0.03 0.00 -1.00 0.00 0.00 32.23 32.33 2k5l h LYS 64 CO 0.59 0.54 0.32 0.77 -2.81 0.00 0.00 179.45 178.86 2k5l h SER 65 N 0.84 0.54 0.61 4.20 0.02 -1.98 -1.74 113.55 116.04 2k5l h SER 65 Ca 0.34 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 61.11 2k5l h SER 65 Cb 0.26 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 2k5l h SER 65 CO -0.12 0.39 -0.78 0.00 -1.14 0.00 0.00 176.83 175.17 2k5l h ALA 66 N 1.19 0.66 -0.13 3.77 0.00 -1.78 -3.00 119.26 119.98 2k5l h ALA 66 Ca 0.18 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 2k5l h ALA 66 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2k5l h ALA 66 CO -0.05 0.89 -0.29 0.00 0.00 0.00 0.00 179.25 179.80 2k5l h ALA 67 N 1.11 1.27 -0.10 0.00 0.00 -1.08 -1.28 119.26 119.19 2k5l h ALA 67 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k5l h ALA 67 Cb 1.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2k5l h ALA 67 CO 0.11 0.49 0.00 -0.85 0.00 0.00 0.00 179.25 179.01 2k5l n GLU 68 N -4.13 1.56 -0.06 0.00 0.28 -0.69 -1.38 120.64 116.22 2k5l n GLU 68 Ca -0.01 -0.84 -0.04 0.00 -0.16 0.00 0.00 57.16 56.12 2k5l n GLU 68 Cb 0.39 -1.40 -0.15 0.00 1.43 0.00 0.00 31.44 31.70 2k5l n GLU 68 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2k5l n MET 69 N 0.04 0.67 -2.78 3.44 2.81 -0.54 -4.79 117.12 115.98 2k5l n MET 69 Ca 0.17 -0.02 -0.43 0.00 -1.81 0.00 0.00 57.70 55.62 2k5l n MET 69 Cb 0.28 -1.57 -0.03 0.00 -0.71 0.00 0.00 33.22 31.19 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 -2.80 4.21 -0.08 2.02 1.01 -0.88 0.47 121.20 125.14 2k5l s ILE 70 Ca -0.08 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 2k5l s ILE 70 Cb 0.08 -4.77 -0.03 0.00 0.01 0.00 0.00 42.46 37.75 2k5l s ILE 70 CO 0.85 -1.58 1.26 -0.70 0.00 0.00 0.00 174.94 174.77 2k5l s GLU 71 N 4.34 4.30 0.30 2.79 2.56 0.05 -0.04 118.70 133.00 2k5l s GLU 71 Ca 0.27 1.73 0.03 0.00 0.00 0.00 0.00 54.97 57.00 2k5l s GLU 71 Cb -0.13 -3.64 -0.01 0.00 2.00 0.00 0.00 34.13 32.35 2k5l s GLU 71 CO 0.08 -0.56 0.09 1.33 -0.56 0.00 0.00 175.26 175.64 2k5l n VAL 72 N 4.89 0.00 -3.75 3.70 0.24 -0.41 -0.37 118.33 122.63 2k5l n VAL 72 Ca 0.12 -1.72 -0.13 0.00 -2.04 0.00 0.00 64.34 60.57 2k5l n VAL 72 Cb 0.45 0.58 -0.14 0.00 -1.47 0.00 0.00 33.84 33.26 2k5l n VAL 72 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2k5l s GLU 73 N -3.15 0.13 -0.15 7.34 2.12 0.12 -4.66 118.70 120.44 2k5l s GLU 73 Ca 0.13 0.40 -0.06 0.00 0.36 0.00 0.00 54.97 55.79 2k5l s GLU 73 Cb 0.01 -0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.21 2k5l s GLU 73 CO 0.09 -0.15 0.07 -1.17 -0.54 0.00 0.00 175.26 173.56 2k5l s LEU 74 N 1.10 3.90 0.39 2.70 2.96 -1.26 -0.28 118.68 128.19 2k5l s LEU 74 Ca -0.08 0.17 -0.27 0.00 -0.22 0.00 0.00 54.13 53.73 2k5l s LEU 74 Cb -0.10 -1.96 -0.09 0.00 0.50 0.00 0.00 46.19 44.53 2k5l s LEU 74 CO -0.06 0.25 1.33 -0.70 -1.32 0.00 0.00 176.35 175.86 2k5l s GLU 75 N -0.11 4.06 -0.04 1.98 2.56 -1.25 -5.03 118.70 120.87 2k5l s GLU 75 Ca 0.07 2.23 0.06 0.00 0.00 0.00 0.00 54.97 57.33 2k5l s GLU 75 Cb -0.12 -2.85 -0.01 0.00 2.00 0.00 0.00 34.13 33.15 2k5l s GLU 75 CO 0.01 -0.44 -0.21 -1.01 -0.56 0.00 0.00 175.26 173.04 2k5l s HIS 76 N -1.21 2.00 0.31 5.30 3.76 -1.26 -5.00 115.29 119.19 2k5l s HIS 76 Ca 0.55 -0.50 0.14 0.00 -0.15 0.00 0.00 55.06 55.10 2k5l s HIS 76 Cb -0.40 -1.31 0.66 0.00 1.11 0.00 0.00 32.58 32.64 2k5l s HIS 76 CO 0.52 -0.12 1.77 1.25 -0.85 0.00 0.00 174.74 177.30 2k5l h HIS 77 N 5.92 0.00 -2.67 1.40 2.76 -2.06 -3.38 115.15 117.12 2k5l h HIS 77 Ca -0.36 0.00 -0.52 0.00 -2.20 0.00 0.00 60.37 57.29 2k5l h HIS 77 Cb 1.16 0.00 -0.39 0.00 1.55 0.00 0.00 27.41 29.73 2k5l h HIS 77 CO 0.42 0.43 -0.78 -1.58 -1.30 0.00 0.00 177.93 175.11 2k5l s HIS 78 N -3.92 0.32 -0.88 5.26 2.46 -1.26 -5.05 115.29 112.21 2k5l s HIS 78 Ca -0.02 -0.98 -0.00 0.00 0.47 0.00 0.00 55.06 54.53 2k5l s HIS 78 Cb 0.13 -0.85 0.25 0.00 -0.13 0.00 0.00 32.58 31.98 2k5l s HIS 78 CO 0.72 -0.84 0.95 1.58 -2.47 0.00 0.00 174.74 174.68 2k5l n HIS 79 N 4.96 3.62 -3.65 3.88 -0.00 -1.26 -4.96 115.22 117.81 2k5l n HIS 79 Ca -0.01 -3.76 -0.02 0.00 -0.00 0.00 0.00 57.72 53.93 2k5l n HIS 79 Cb 0.41 -1.03 -0.06 0.00 -0.00 0.00 0.00 29.99 29.31 2k5l n HIS 79 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5l s HIS 80 N -2.02 -0.51 -2.26 1.57 2.46 -1.26 -5.13 115.29 108.13 2k5l s HIS 80 Ca 0.32 1.03 0.30 0.00 0.47 0.00 0.00 55.06 57.18 2k5l s HIS 80 Cb 0.02 0.31 1.46 0.00 -0.13 0.00 0.00 32.58 34.23 2k5l s HIS 80 CO -0.04 -0.25 1.97 0.72 -2.47 0.00 0.00 174.74 174.67