#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 2.64 0.32 3.17 5.36 -1.26 -5.01 117.98 123.20 2k5l s PHE 2 Ca 0.00 -0.15 -0.03 0.00 -0.96 0.00 0.00 56.93 55.79 2k5l s PHE 2 Cb 0.00 -4.29 -0.04 0.00 -0.34 0.00 0.00 43.02 38.35 2k5l s PHE 2 CO 0.00 -1.60 0.57 -1.12 -1.46 0.00 0.00 175.22 171.61 2k5l s SER 3 N 3.28 6.38 0.49 6.13 0.01 -1.26 -2.50 113.70 126.22 2k5l s SER 3 Ca 0.30 0.64 0.16 0.00 1.31 0.00 0.00 55.95 58.36 2k5l s SER 3 Cb -0.13 -2.11 1.17 0.00 0.21 0.00 0.00 66.02 65.16 2k5l s SER 3 CO 0.16 -0.26 2.07 0.25 0.41 0.00 0.00 173.24 175.88 2k5l h LEU 4 N 1.24 0.00 -1.79 2.44 5.85 -0.32 0.43 115.31 123.17 2k5l h LEU 4 Ca -0.48 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 2k5l h LEU 4 Cb 1.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 2k5l h LEU 4 CO 0.64 0.09 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.62 2k5l h ARG 5 N 0.00 0.00 -0.01 1.25 1.12 -1.40 -2.42 114.38 112.92 2k5l h ARG 5 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2k5l h ARG 5 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.13 2k5l h ARG 5 CO 0.01 0.13 -0.19 -3.47 -3.11 0.00 0.00 179.97 173.34 2k5l n ASP 6 N -4.28 1.32 -4.86 -3.80 4.64 0.12 -4.88 116.55 104.81 2k5l n ASP 6 Ca -0.03 -1.16 -0.31 0.00 -1.38 0.00 0.00 54.79 51.91 2k5l n ASP 6 Cb 0.20 0.12 0.02 0.00 -1.04 0.00 0.00 41.12 40.42 2k5l n ASP 6 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2k5l s ALA 7 N -2.33 3.01 0.18 -1.67 0.00 -0.91 -4.95 121.76 115.08 2k5l s ALA 7 Ca 0.28 -0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.26 2k5l s ALA 7 Cb 0.20 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 2k5l s ALA 7 CO 0.46 -0.82 -0.09 0.15 0.00 0.00 0.00 175.76 175.46 2k5l s LYS 8 N -5.16 2.08 0.69 0.00 3.01 -1.26 -5.02 119.74 114.07 2k5l s LYS 8 Ca 0.56 -1.25 -0.16 0.00 -1.01 0.00 0.00 55.97 54.11 2k5l s LYS 8 Cb -0.12 -2.18 0.02 0.00 -1.01 0.00 0.00 37.83 34.54 2k5l s LYS 8 CO 0.54 0.44 1.19 0.00 0.51 0.00 0.00 175.35 178.03 2k5l n GLY 10 N 0.24 1.06 3.67 0.00 0.00 -0.15 -5.00 105.19 105.01 2k5l n GLY 10 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.53 2.18 -0.05 1.61 -0.21 -1.22 -4.97 119.66 116.47 2k5l s GLN 11 Ca 0.00 -1.70 0.06 0.00 0.02 0.00 0.00 55.36 53.74 2k5l s GLN 11 Cb 0.00 -2.00 -0.01 0.00 1.00 0.00 0.00 33.01 31.99 2k5l s GLN 11 CO 0.00 0.10 -0.25 0.99 -2.12 0.00 0.00 175.29 174.01 2k5l s THR 12 N -2.50 2.08 0.21 -0.19 2.01 -1.26 -1.56 115.64 114.42 2k5l s THR 12 Ca 0.36 -1.07 0.09 0.00 0.31 0.00 0.00 61.69 61.38 2k5l s THR 12 Cb -0.00 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 2k5l s THR 12 CO 0.21 0.57 -0.17 0.68 -0.69 0.00 0.00 174.62 175.22 2k5l s VAL 13 N -0.28 1.94 -0.20 3.82 -7.23 0.87 -0.95 120.40 118.37 2k5l s VAL 13 Ca -0.00 -2.14 -0.03 0.00 -1.81 0.00 0.00 61.98 57.99 2k5l s VAL 13 Cb -0.13 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 2k5l s VAL 13 CO 0.02 -0.44 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.56 2k5l s LYS 14 N -3.29 3.40 -0.09 4.82 2.20 0.54 0.16 119.74 127.48 2k5l s LYS 14 Ca 0.22 -0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 54.90 2k5l s LYS 14 Cb -0.04 -2.93 -0.04 0.00 -1.51 0.00 0.00 37.83 33.32 2k5l s LYS 14 CO 0.08 -0.09 1.37 0.08 -0.36 0.00 0.00 175.35 176.44 2k5l s VAL 15 N 1.18 3.99 -0.09 4.02 1.01 -0.33 0.36 120.40 130.54 2k5l s VAL 15 Ca 0.02 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.26 2k5l s VAL 15 Cb -0.14 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 2k5l s VAL 15 CO -0.01 -0.07 -0.08 1.33 0.00 0.00 0.00 175.10 176.27 2k5l n VAL 16 N 5.13 0.52 -4.08 2.92 0.24 -0.10 0.73 118.33 123.69 2k5l n VAL 16 Ca 0.14 -0.20 -0.21 0.00 -2.04 0.00 0.00 64.34 62.03 2k5l n VAL 16 Cb 0.44 -0.82 -0.17 0.00 -1.47 0.00 0.00 33.84 31.83 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 -2.18 0.85 -0.49 7.34 1.02 -0.76 -4.84 119.74 120.67 2k5l s LYS 17 Ca -0.12 -0.08 -0.15 0.00 0.02 0.00 0.00 55.97 55.64 2k5l s LYS 17 Cb 0.03 -0.93 0.09 0.00 -0.52 0.00 0.00 37.83 36.50 2k5l s LYS 17 CO 0.21 -0.14 0.42 -0.51 -0.92 0.00 0.00 175.35 174.41 2k5l s LEU 18 N 1.18 5.75 0.00 3.17 1.43 -1.26 -0.12 118.68 128.83 2k5l s LEU 18 Ca -0.07 -1.46 0.25 0.00 -1.03 0.00 0.00 54.13 51.82 2k5l s LEU 18 Cb -0.14 -2.18 1.29 0.00 0.03 0.00 0.00 46.19 45.20 2k5l s LEU 18 CO -0.01 -0.70 1.85 1.41 0.23 0.00 0.00 176.35 179.13 2k5l n HIS 19 N 5.20 0.00 -1.96 0.29 8.25 0.38 -4.75 115.22 122.63 2k5l n HIS 19 Ca -0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.91 2k5l n HIS 19 Cb 0.43 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 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 -2.53 1.57 -1.02 -1.41 0.00 -1.25 -4.91 107.32 97.78 2k5l s GLY 20 Ca 0.25 1.12 -0.23 0.00 0.00 0.00 0.00 44.72 45.86 2k5l s GLY 20 CO 0.38 2.92 1.60 -0.51 0.00 0.00 0.00 173.10 177.49 2k5l s THR 21 N 3.07 3.82 0.00 0.90 -4.23 -1.26 -3.32 115.64 114.62 2k5l s THR 21 Ca 0.74 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 2k5l s THR 21 Cb -0.37 -4.82 0.00 0.00 1.34 0.00 0.00 72.50 68.65 2k5l s THR 21 CO 0.32 -1.70 0.00 0.61 -0.54 0.00 0.00 174.62 173.31 2k5l n GLY 22 N 6.72 1.08 0.37 3.99 0.00 -1.26 -3.45 105.19 112.64 2k5l n GLY 22 Ca 0.36 0.46 0.06 0.00 0.00 0.00 0.00 46.02 46.90 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 -0.61 1.56 -0.14 4.61 0.00 -2.00 0.25 119.26 122.94 2k5l h ALA 23 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2k5l h ALA 23 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2k5l h ALA 23 CO 0.00 0.28 -0.09 -0.07 0.00 0.00 0.00 179.25 179.36 2k5l h LEU 24 N 0.97 0.32 -1.01 0.00 -0.00 -1.82 -3.00 115.31 110.77 2k5l h LEU 24 Ca 0.41 -0.44 -0.09 0.00 -0.00 0.00 0.00 57.88 57.75 2k5l h LEU 24 Cb 0.31 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 2k5l h LEU 24 CO -0.17 0.70 -0.32 0.07 -0.00 0.00 0.00 178.44 178.72 2k5l h LYS 25 N -0.05 0.31 -0.24 1.13 2.10 -1.24 -2.31 116.57 116.27 2k5l h LYS 25 Ca 0.03 -0.12 -0.06 0.00 -2.00 0.00 0.00 60.65 58.49 2k5l h LYS 25 Cb 0.59 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 2k5l h LYS 25 CO 0.03 0.60 -0.09 -0.09 -2.00 0.00 0.00 179.45 177.90 2k5l h ARG 26 N 0.27 0.49 -0.63 0.07 2.43 -0.60 0.58 114.38 116.99 2k5l h ARG 26 Ca 0.04 -0.20 0.05 0.00 -0.81 0.00 0.00 59.98 59.05 2k5l h ARG 26 Cb 0.70 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.18 2k5l h ARG 26 CO 0.05 0.74 0.36 0.00 -1.51 0.00 0.00 179.97 179.61 2k5l h ARG 27 N 0.22 0.66 -0.03 0.20 3.08 -1.35 0.84 114.38 117.99 2k5l h ARG 27 Ca 0.06 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2k5l h ARG 27 Cb 0.58 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 2k5l h ARG 27 CO 0.03 0.44 0.02 0.82 -1.07 0.00 0.00 179.97 180.20 2k5l h ILE 28 N 0.68 1.07 0.00 2.04 2.04 -1.28 -2.81 117.51 119.25 2k5l h ILE 28 Ca 0.27 -0.22 -0.15 0.00 1.00 0.00 0.00 64.86 65.76 2k5l h ILE 28 Cb 0.13 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2k5l h ILE 28 CO -0.15 0.06 -0.74 0.00 0.00 0.00 0.00 178.15 177.32 2k5l h MET 29 N -0.03 0.00 -0.35 2.37 -0.00 -0.43 -2.42 114.93 114.07 2k5l h MET 29 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.71 2k5l h MET 29 Cb 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.66 2k5l h MET 29 CO -0.00 0.74 0.19 0.22 -0.00 0.00 0.00 176.91 178.05 2k5l h ASP 30 N 0.00 0.41 1.24 -0.10 3.58 0.74 -0.42 116.42 121.88 2k5l h ASP 30 Ca -0.01 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 2k5l h ASP 30 Cb 1.30 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 2k5l h ASP 30 CO 0.10 0.34 -0.20 0.24 -2.88 0.00 0.00 179.24 176.84 2k5l h MET 31 N 0.48 0.00 0.00 0.28 2.86 -1.27 -3.46 114.93 113.81 2k5l h MET 31 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2k5l h MET 31 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2k5l h MET 31 CO -0.02 0.20 0.00 0.41 1.06 0.00 0.00 176.91 178.56 2k5l n GLY 32 N 0.49 0.62 3.34 8.32 0.00 -0.17 -4.92 105.19 112.87 2k5l n GLY 32 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2k5l n GLY 32 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k5l n ILE 33 N 0.00 4.13 -1.03 -0.61 5.41 -0.93 -4.78 119.36 121.55 2k5l n ILE 33 Ca 0.00 -4.39 -0.01 0.00 1.00 0.00 0.00 62.75 59.35 2k5l n ILE 33 Cb 0.00 -2.43 0.32 0.00 -0.71 0.00 0.00 39.64 36.82 2k5l n ILE 33 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2k5l n THR 34 N 4.87 2.79 -1.29 1.39 -2.24 -1.26 -3.04 114.28 115.49 2k5l n THR 34 Ca 0.42 -1.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.50 2k5l n THR 34 Cb 0.42 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 2k5l n THR 34 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2k5l n ARG 35 N -0.08 -3.30 0.00 -0.78 0.63 -1.26 -4.75 116.66 107.11 2k5l n ARG 35 Ca 0.35 2.45 0.00 0.00 -0.92 0.00 0.00 57.85 59.73 2k5l n ARG 35 Cb 1.25 -2.57 0.00 0.00 0.45 0.00 0.00 32.46 31.59 2k5l n ARG 35 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k5l n GLY 36 N 0.61 1.85 3.80 5.14 0.00 0.22 -4.99 105.19 111.83 2k5l n GLY 36 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.69 3.30 -0.11 0.00 -1.05 -1.26 -1.18 118.70 115.71 2k5l s GLU 38 Ca 0.57 -0.22 0.01 0.00 -0.15 0.00 0.00 54.97 55.18 2k5l s GLU 38 Cb -0.14 -3.07 0.02 0.00 -0.44 0.00 0.00 34.13 30.50 2k5l s GLU 38 CO 0.19 0.75 -0.11 0.42 0.95 0.00 0.00 175.26 177.46 2k5l s ILE 39 N -1.01 1.26 -0.33 1.83 1.01 0.12 -4.71 121.20 119.38 2k5l s ILE 39 Ca 0.15 -0.47 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 2k5l s ILE 39 Cb -0.12 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 2k5l s ILE 39 CO 0.04 0.40 0.47 -0.47 0.00 0.00 0.00 174.94 175.38 2k5l s TYR 40 N 1.34 3.20 -0.26 3.97 6.14 -1.09 -0.09 117.35 130.55 2k5l s TYR 40 Ca -0.01 0.20 -0.29 0.00 0.64 0.00 0.00 57.07 57.61 2k5l s TYR 40 Cb -0.14 -2.82 -0.01 0.00 0.42 0.00 0.00 41.96 39.42 2k5l s TYR 40 CO -0.05 -0.46 1.34 0.42 0.64 0.00 0.00 175.55 177.44 2k5l s ILE 41 N 2.28 4.09 -0.15 3.14 1.09 -0.60 -0.24 121.20 130.81 2k5l s ILE 41 Ca 0.17 1.25 -0.20 0.00 -1.10 0.00 0.00 60.65 60.78 2k5l s ILE 41 Cb -0.16 -4.06 -0.17 0.00 -1.06 0.00 0.00 42.46 37.01 2k5l s ILE 41 CO 0.12 -0.39 0.40 0.03 -0.10 0.00 0.00 174.94 175.01 2k5l h ARG 42 N 9.32 0.00 -2.32 2.79 2.47 -0.57 -0.37 114.38 125.71 2k5l h ARG 42 Ca -0.27 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.39 2k5l h ARG 42 Cb 1.11 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.19 2k5l h ARG 42 CO 1.02 0.70 -0.10 0.21 0.56 0.00 0.00 179.97 182.36 2k5l s LYS 43 N -2.11 0.59 -0.38 0.04 2.36 -0.76 -4.52 119.74 114.96 2k5l s LYS 43 Ca -0.17 0.95 -0.12 0.00 -2.55 0.00 0.00 55.97 54.09 2k5l s LYS 43 Cb -0.00 0.14 0.02 0.00 -1.05 0.00 0.00 37.83 36.94 2k5l s LYS 43 CO 0.48 -0.13 0.23 0.08 1.55 0.00 0.00 175.35 177.56 2k5l s VAL 44 N 1.16 4.82 0.52 4.02 1.01 -1.26 -0.10 120.40 130.56 2k5l s VAL 44 Ca -0.07 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 2k5l s VAL 44 Cb -0.06 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 2k5l s VAL 44 CO -0.11 -0.22 1.20 0.00 0.00 0.00 0.00 175.10 175.97 2k5l n ALA 45 N 5.05 1.01 -0.30 5.51 0.00 -1.20 -4.88 120.51 125.69 2k5l n ALA 45 Ca -0.12 0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.57 2k5l n ALA 45 Cb 0.47 -2.24 0.33 0.00 0.00 0.00 0.00 19.45 18.00 2k5l n ALA 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2k5l h PRO 46 N 1.37 0.77 0.00 0.00 0.11 -1.91 0.43 132.00 132.77 2k5l h PRO 46 Ca -0.49 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.46 2k5l h PRO 46 Cb 1.32 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2k5l h PRO 46 CO 0.56 0.51 -0.54 1.25 -0.21 0.00 0.00 178.00 179.58 2k5l h LEU 47 N 0.80 0.00 0.00 2.35 7.12 -1.96 -3.46 115.31 120.16 2k5l h LEU 47 Ca 0.47 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.48 2k5l h LEU 47 Cb 0.65 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.78 2k5l h LEU 47 CO -0.23 0.54 0.00 0.61 -0.13 0.00 0.00 178.44 179.22 2k5l n GLY 48 N 0.55 0.49 2.73 3.75 0.00 0.14 -5.07 105.19 107.79 2k5l n GLY 48 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2k5l n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5l s ASP 49 N -2.03 0.50 0.64 1.61 2.15 -1.26 -4.14 116.67 114.13 2k5l s ASP 49 Ca 0.00 0.06 0.04 0.00 0.43 0.00 0.00 52.55 53.08 2k5l s ASP 49 Cb 0.00 -0.10 0.10 0.00 -0.30 0.00 0.00 42.92 42.62 2k5l s ASP 49 CO 0.00 -0.18 0.88 -2.16 -0.17 0.00 0.00 175.17 173.54 2k5l s PRO 50 N 1.52 2.03 -0.22 4.34 0.04 -1.26 -4.87 135.00 136.58 2k5l s PRO 50 Ca -0.03 -1.34 -0.11 0.00 0.04 0.00 0.00 61.00 59.56 2k5l s PRO 50 Cb -0.13 -2.50 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 2k5l s PRO 50 CO -0.03 -1.11 0.16 0.42 0.04 0.00 0.00 177.00 176.48 2k5l s ILE 51 N -2.88 5.37 -0.23 0.56 1.09 0.17 -3.24 121.20 122.03 2k5l s ILE 51 Ca 0.64 0.22 -0.23 0.00 -1.10 0.00 0.00 60.65 60.18 2k5l s ILE 51 Cb -0.06 -3.50 -0.01 0.00 -1.06 0.00 0.00 42.46 37.82 2k5l s ILE 51 CO 0.41 0.38 0.73 -1.10 -0.10 0.00 0.00 174.94 175.26 2k5l s GLN 52 N 0.78 4.17 0.09 2.79 1.11 0.86 -0.66 119.66 128.81 2k5l s GLN 52 Ca 0.09 0.76 0.04 0.00 0.01 0.00 0.00 55.36 56.26 2k5l s GLN 52 Cb -0.13 -3.63 -0.03 0.00 -1.01 0.00 0.00 33.01 28.21 2k5l s GLN 52 CO 0.02 -0.42 -0.11 0.96 0.01 0.00 0.00 175.29 175.75 2k5l s ILE 53 N 2.51 0.99 -0.34 1.08 -4.36 0.55 0.20 121.20 121.82 2k5l s ILE 53 Ca 0.31 -1.54 -0.08 0.00 -0.26 0.00 0.00 60.65 59.08 2k5l s ILE 53 Cb -0.16 -1.26 0.03 0.00 1.25 0.00 0.00 42.46 42.32 2k5l s ILE 53 CO 0.09 -0.46 0.14 0.21 0.24 0.00 0.00 174.94 175.16 2k5l s ASN 54 N -2.24 5.47 -0.10 4.36 3.84 0.66 0.47 114.94 127.40 2k5l s ASN 54 Ca 0.03 -0.98 0.01 0.00 0.21 0.00 0.00 52.86 52.14 2k5l s ASN 54 Cb -0.05 -1.94 0.02 0.00 -0.55 0.00 0.00 41.25 38.73 2k5l s ASN 54 CO 0.01 -0.32 -0.12 -0.69 -2.79 0.00 0.00 177.10 173.18 2k5l s VAL 55 N 1.49 1.28 -1.35 -5.21 1.01 -0.43 -2.66 120.40 114.54 2k5l s VAL 55 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2k5l s VAL 55 Cb -0.19 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 34.99 2k5l s VAL 55 CO 0.04 0.40 0.00 0.54 0.00 0.00 0.00 175.10 176.09 2k5l n ARG 56 N 4.33 -1.08 -0.14 2.72 5.12 -1.26 -1.12 116.66 125.23 2k5l n ARG 56 Ca -0.18 0.93 0.00 0.00 -1.93 0.00 0.00 57.85 56.67 2k5l n ARG 56 Cb 0.51 -5.05 0.00 0.00 -1.16 0.00 0.00 32.46 26.76 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 -1.02 0.92 3.74 -0.13 0.00 -1.26 -5.04 105.19 102.40 2k5l n GLY 57 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.50 3.46 -0.40 1.61 2.02 -0.27 -5.04 117.35 116.22 2k5l s TYR 58 Ca 0.00 0.52 -0.29 0.00 -0.37 0.00 0.00 57.07 56.93 2k5l s TYR 58 Cb 0.00 -2.26 0.01 0.00 -0.40 0.00 0.00 41.96 39.30 2k5l s TYR 58 CO 0.00 0.29 1.39 -1.21 -1.57 0.00 0.00 175.55 174.45 2k5l s GLU 59 N 0.33 3.62 0.29 -0.62 0.41 -1.26 -1.31 118.70 120.15 2k5l s GLU 59 Ca 0.14 0.96 0.10 0.00 -0.41 0.00 0.00 54.97 55.76 2k5l s GLU 59 Cb -0.12 -4.00 -0.05 0.00 -1.78 0.00 0.00 34.13 28.18 2k5l s GLU 59 CO 0.02 -1.51 -0.03 -0.51 -0.49 0.00 0.00 175.26 172.75 2k5l s LEU 60 N 5.27 3.04 -0.18 1.80 1.43 0.18 -4.95 118.68 125.26 2k5l s LEU 60 Ca 0.60 -0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2k5l s LEU 60 Cb -0.14 -1.53 0.04 0.00 0.03 0.00 0.00 46.19 44.60 2k5l s LEU 60 CO 0.31 -0.05 -0.06 -0.94 0.23 0.00 0.00 176.35 175.84 2k5l s SER 61 N -3.66 3.10 -0.11 2.29 1.04 -1.26 -0.33 113.70 114.77 2k5l s SER 61 Ca 0.32 -0.79 -0.03 0.00 0.48 0.00 0.00 55.95 55.93 2k5l s SER 61 Cb -0.05 -1.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.02 2k5l s SER 61 CO 0.19 -0.18 0.02 -0.76 0.98 0.00 0.00 173.24 173.48 2k5l s LEU 62 N 1.55 3.64 0.70 2.42 2.01 0.17 -4.87 118.68 124.29 2k5l s LEU 62 Ca -0.01 0.12 -0.14 0.00 0.01 0.00 0.00 54.13 54.12 2k5l s LEU 62 Cb -0.16 -1.85 0.02 0.00 0.01 0.00 0.00 46.19 44.21 2k5l s LEU 62 CO -0.08 0.32 1.12 -0.13 1.01 0.00 0.00 176.35 178.59 2k5l s ARG 63 N -0.54 2.57 0.17 1.70 3.00 -1.26 0.41 118.95 125.00 2k5l s ARG 63 Ca 0.10 1.40 -0.14 0.00 0.00 0.00 0.00 55.73 57.08 2k5l s ARG 63 Cb -0.12 -1.92 0.10 0.00 0.00 0.00 0.00 34.95 33.01 2k5l s ARG 63 CO 0.02 -1.43 1.77 -0.22 0.00 0.00 0.00 175.30 175.44 2k5l h LYS 64 N -0.28 0.37 -0.28 3.54 3.64 -1.94 0.10 116.57 121.73 2k5l h LYS 64 Ca -0.46 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 2k5l h LYS 64 Cb 1.25 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2k5l h LYS 64 CO 0.53 0.24 -0.02 0.77 -2.27 0.00 0.00 179.45 178.70 2k5l h SER 65 N 0.38 0.39 0.00 4.20 0.02 -1.92 -1.59 113.55 115.04 2k5l h SER 65 Ca 0.20 -0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 60.90 2k5l h SER 65 Cb 0.15 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.60 2k5l h SER 65 CO -0.17 0.47 -0.71 0.00 -1.14 0.00 0.00 176.83 175.29 2k5l h ALA 66 N 1.58 0.08 0.00 3.77 0.00 -1.72 -3.28 119.26 119.69 2k5l h ALA 66 Ca 0.09 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2k5l h ALA 66 Cb 0.30 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k5l h ALA 66 CO 0.01 0.43 -0.13 0.00 0.00 0.00 0.00 179.25 179.56 2k5l h ALA 67 N 0.33 1.12 -0.00 0.00 0.00 -0.47 -0.73 119.26 119.52 2k5l h ALA 67 Ca -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k5l h ALA 67 Cb 1.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2k5l h ALA 67 CO 0.14 0.16 -0.15 -0.85 0.00 0.00 0.00 179.25 178.55 2k5l n GLU 68 N -3.42 0.44 -0.02 0.00 0.28 -0.63 -1.17 120.64 116.12 2k5l n GLU 68 Ca -0.01 -0.15 0.10 0.00 -0.16 0.00 0.00 57.16 56.94 2k5l n GLU 68 Cb 0.31 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 31.78 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 -1.15 1.91 -3.50 3.44 2.81 -0.30 -4.86 117.12 115.48 2k5l n MET 69 Ca 0.12 -1.77 -0.41 0.00 -1.81 0.00 0.00 57.70 53.82 2k5l n MET 69 Cb 0.30 -1.40 -0.10 0.00 -0.71 0.00 0.00 33.22 31.30 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 -1.67 5.27 -0.25 2.02 1.01 -1.11 -0.47 121.20 126.00 2k5l s ILE 70 Ca 0.25 -0.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.44 2k5l s ILE 70 Cb 0.17 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 2k5l s ILE 70 CO 0.26 -0.08 0.54 -0.70 0.00 0.00 0.00 174.94 174.95 2k5l s GLU 71 N 1.75 4.09 0.16 2.79 2.12 0.84 -0.43 118.70 130.01 2k5l s GLU 71 Ca 0.06 0.37 0.04 0.00 0.36 0.00 0.00 54.97 55.81 2k5l s GLU 71 Cb -0.18 -3.64 -0.05 0.00 0.26 0.00 0.00 34.13 30.53 2k5l s GLU 71 CO 0.11 -0.34 -0.09 0.14 -0.54 0.00 0.00 175.26 174.54 2k5l s VAL 72 N 2.26 1.17 -0.17 3.70 -7.23 -1.04 -0.92 120.40 118.16 2k5l s VAL 72 Ca 0.22 -2.06 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 2k5l s VAL 72 Cb -0.16 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 2k5l s VAL 72 CO 0.09 -0.68 0.11 -1.61 -0.31 0.00 0.00 175.10 172.70 2k5l s GLU 73 N -3.76 3.91 -0.57 4.82 2.02 0.16 -4.78 118.70 120.50 2k5l s GLU 73 Ca 0.19 -0.24 -0.28 0.00 0.02 0.00 0.00 54.97 54.66 2k5l s GLU 73 Cb 0.03 -3.29 0.02 0.00 0.10 0.00 0.00 34.13 30.99 2k5l s GLU 73 CO 0.02 0.42 1.39 -1.17 0.02 0.00 0.00 175.26 175.94 2k5l s LEU 74 N -0.01 3.40 -0.25 1.80 1.98 -1.26 -0.34 118.68 124.00 2k5l s LEU 74 Ca 0.09 0.25 -0.06 0.00 -2.89 0.00 0.00 54.13 51.52 2k5l s LEU 74 Cb -0.12 -3.05 -0.20 0.00 0.66 0.00 0.00 46.19 43.49 2k5l s LEU 74 CO 0.00 -1.70 3.06 -0.62 -1.89 0.00 0.00 176.35 175.20 2k5l n GLU 75 N 8.67 1.95 -2.75 1.98 -0.58 -0.12 -4.85 120.64 124.93 2k5l n GLU 75 Ca 0.12 -1.04 -0.42 0.00 -0.42 0.00 0.00 57.16 55.39 2k5l n GLU 75 Cb 0.49 -2.06 -0.03 0.00 -0.57 0.00 0.00 31.44 29.27 2k5l n GLU 75 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2k5l s HIS 76 N 1.55 3.37 -0.17 -0.32 5.65 -1.26 -4.80 115.29 119.31 2k5l s HIS 76 Ca 0.57 1.38 -0.29 0.00 0.25 0.00 0.00 55.06 56.97 2k5l s HIS 76 Cb 0.25 -3.17 -0.04 0.00 -1.18 0.00 0.00 32.58 28.44 2k5l s HIS 76 CO -0.01 -0.38 1.69 -1.58 -0.65 0.00 0.00 174.74 173.81 2k5l s HIS 77 N 2.76 1.96 -0.42 3.88 2.46 -1.26 -4.93 115.29 119.75 2k5l s HIS 77 Ca 0.42 0.42 0.02 0.00 0.47 0.00 0.00 55.06 56.39 2k5l s HIS 77 Cb -0.16 -3.98 0.15 0.00 -0.13 0.00 0.00 32.58 28.46 2k5l s HIS 77 CO 0.09 -3.36 0.27 -1.58 -2.47 0.00 0.00 174.74 167.70 2k5l s HIS 78 N 5.17 1.37 -0.26 3.88 5.04 -1.26 -5.10 115.29 124.13 2k5l s HIS 78 Ca 0.75 -2.15 -0.14 0.00 -1.54 0.00 0.00 55.06 51.98 2k5l s HIS 78 Cb -0.28 -1.31 -0.04 0.00 0.04 0.00 0.00 32.58 30.98 2k5l s HIS 78 CO 0.30 -0.80 0.32 -1.58 -2.34 0.00 0.00 174.74 170.64 2k5l s HIS 79 N 0.42 3.26 0.30 3.88 2.46 -1.26 -4.84 115.29 119.52 2k5l s HIS 79 Ca 0.22 0.36 0.00 0.00 0.47 0.00 0.00 55.06 56.11 2k5l s HIS 79 Cb -0.15 -2.49 0.00 0.00 -0.13 0.00 0.00 32.58 29.81 2k5l s HIS 79 CO -0.06 -0.16 0.00 1.58 -2.47 0.00 0.00 174.74 173.64 2k5l n HIS 80 N 5.05 -2.83 -1.21 3.88 -0.00 -1.26 -5.35 115.22 113.51 2k5l n HIS 80 Ca -0.10 0.65 0.00 0.00 -0.00 0.00 0.00 57.72 58.27 2k5l n HIS 80 Cb 0.51 1.28 0.00 0.00 -0.00 0.00 0.00 29.99 31.79 2k5l n HIS 80 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92