#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 3.19 0.54 1.12 2.19 -1.26 -5.08 117.98 118.68 2k5l s PHE 2 Ca 0.00 -0.79 0.05 0.00 0.33 0.00 0.00 56.93 56.52 2k5l s PHE 2 Cb 0.00 -2.35 0.05 0.00 -1.31 0.00 0.00 43.02 39.41 2k5l s PHE 2 CO 0.00 -0.54 0.75 -1.54 1.83 0.00 0.00 175.22 175.72 2k5l s SER 3 N 1.57 5.22 0.34 6.13 1.04 -1.26 -1.74 113.70 124.99 2k5l s SER 3 Ca 0.03 -0.35 0.26 0.00 0.48 0.00 0.00 55.95 56.38 2k5l s SER 3 Cb -0.18 -0.46 1.07 0.00 0.10 0.00 0.00 66.02 66.55 2k5l s SER 3 CO 0.05 -1.17 1.79 0.25 0.98 0.00 0.00 173.24 175.14 2k5l h LEU 4 N 0.18 0.00 0.00 2.42 5.85 0.41 -1.46 115.31 122.70 2k5l h LEU 4 Ca -0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2k5l h LEU 4 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2k5l h LEU 4 CO 0.46 0.00 -0.26 -1.14 -0.34 0.00 0.00 178.44 177.16 2k5l n ARG 5 N -2.48 0.26 0.18 1.25 3.00 -1.01 -3.13 116.66 114.71 2k5l n ARG 5 Ca 0.02 0.15 0.09 0.00 -0.00 0.00 0.00 57.85 58.11 2k5l n ARG 5 Cb 0.27 -1.74 0.10 0.00 0.00 0.00 0.00 32.46 31.09 2k5l n ARG 5 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2k5l h ASP 6 N 0.00 0.00 -3.90 6.15 3.32 -1.58 -3.46 116.42 116.95 2k5l h ASP 6 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 2k5l h ASP 6 Cb 0.72 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2k5l h ASP 6 CO 0.00 0.16 0.22 0.00 -1.72 0.00 0.00 179.24 177.90 2k5l s ALA 7 N -3.15 3.20 0.46 3.45 0.00 -1.18 -5.01 121.76 119.53 2k5l s ALA 7 Ca 0.05 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.18 2k5l s ALA 7 Cb 0.06 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 2k5l s ALA 7 CO 0.71 0.11 0.07 0.15 0.00 0.00 0.00 175.76 176.80 2k5l s LYS 8 N -3.40 2.12 0.33 0.00 3.01 -1.26 -5.02 119.74 115.52 2k5l s LYS 8 Ca 0.57 -2.16 -0.29 0.00 -1.01 0.00 0.00 55.97 53.08 2k5l s LYS 8 Cb -0.10 -1.70 -0.11 0.00 -1.01 0.00 0.00 37.83 34.91 2k5l s LYS 8 CO 0.21 -0.22 1.41 0.00 0.51 0.00 0.00 175.35 177.27 2k5l n GLY 10 N 1.06 2.15 3.68 0.00 0.00 0.31 -4.95 105.19 107.45 2k5l n GLY 10 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.73 4.21 -0.30 1.61 -0.21 -0.98 -4.92 119.66 118.34 2k5l s GLN 11 Ca 0.00 0.27 -0.18 0.00 0.02 0.00 0.00 55.36 55.47 2k5l s GLN 11 Cb 0.00 -3.52 -0.02 0.00 1.00 0.00 0.00 33.01 30.48 2k5l s GLN 11 CO 0.00 -0.00 0.51 0.99 -2.12 0.00 0.00 175.29 174.67 2k5l s THR 12 N 1.18 5.05 0.35 -0.19 2.01 -1.26 -2.62 115.64 120.16 2k5l s THR 12 Ca 0.21 0.66 0.09 0.00 0.31 0.00 0.00 61.69 62.96 2k5l s THR 12 Cb -0.15 -3.87 -0.06 0.00 0.01 0.00 0.00 72.50 68.43 2k5l s THR 12 CO 0.08 -0.03 -0.05 0.68 -0.69 0.00 0.00 174.62 174.61 2k5l s VAL 13 N 2.34 2.31 -0.10 3.82 -7.23 0.97 -1.19 120.40 121.32 2k5l s VAL 13 Ca 0.20 -2.12 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 2k5l s VAL 13 Cb -0.15 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.06 2k5l s VAL 13 CO 0.11 -0.18 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.76 2k5l s LYS 14 N -3.65 2.84 0.03 4.82 2.20 0.15 0.17 119.74 126.29 2k5l s LYS 14 Ca 0.33 -0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 2k5l s LYS 14 Cb 0.03 -2.20 -0.06 0.00 -1.51 0.00 0.00 37.83 34.09 2k5l s LYS 14 CO 0.17 0.11 1.39 0.08 -0.36 0.00 0.00 175.35 176.75 2k5l s VAL 15 N 0.51 3.64 -0.03 4.02 1.01 0.18 -0.90 120.40 128.83 2k5l s VAL 15 Ca -0.15 1.07 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2k5l s VAL 15 Cb -0.17 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2k5l s VAL 15 CO 0.06 0.02 -0.02 1.33 0.00 0.00 0.00 175.10 176.48 2k5l n VAL 16 N 4.50 0.18 -4.40 2.92 0.24 -0.04 0.15 118.33 121.87 2k5l n VAL 16 Ca 0.13 -0.07 -0.19 0.00 -2.04 0.00 0.00 64.34 62.16 2k5l n VAL 16 Cb 0.43 -0.64 -0.15 0.00 -1.47 0.00 0.00 33.84 32.02 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 -2.06 0.81 -0.37 7.34 3.01 -0.67 -4.80 119.74 123.00 2k5l s LYS 17 Ca -0.04 -0.41 -0.02 0.00 -1.01 0.00 0.00 55.97 54.49 2k5l s LYS 17 Cb 0.01 -0.78 0.09 0.00 -1.01 0.00 0.00 37.83 36.14 2k5l s LYS 17 CO 0.07 0.21 0.14 -0.51 0.51 0.00 0.00 175.35 175.77 2k5l s LEU 18 N -0.36 4.81 0.00 3.17 1.43 -1.26 -0.29 118.68 126.18 2k5l s LEU 18 Ca 0.03 -1.78 0.00 0.00 -1.03 0.00 0.00 54.13 51.35 2k5l s LEU 18 Cb -0.04 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.39 2k5l s LEU 18 CO -0.00 -0.45 0.00 1.41 0.23 0.00 0.00 176.35 177.54 2k5l n HIS 19 N 4.60 0.00 -4.94 0.29 8.25 -0.18 -4.96 115.22 118.27 2k5l n HIS 19 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2k5l n HIS 19 Cb 0.42 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.53 2k5l n HIS 19 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k5l n GLY 20 N 2.79 0.95 0.21 -1.41 0.00 -1.19 -4.17 105.19 102.37 2k5l n GLY 20 Ca 0.00 -0.81 0.09 0.00 0.00 0.00 0.00 46.02 45.29 2k5l n GLY 20 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k5l n THR 21 N 0.00 1.77 0.00 2.61 5.66 -1.26 -5.01 114.28 118.05 2k5l n THR 21 Ca 0.00 -2.23 0.00 0.00 -3.05 0.00 0.00 64.05 58.77 2k5l n THR 21 Cb 0.00 -0.16 0.00 0.00 -1.55 0.00 0.00 70.33 68.62 2k5l n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k5l n GLY 22 N -1.25 2.44 0.37 1.09 0.00 -1.26 -4.75 105.19 101.82 2k5l n GLY 22 Ca 0.15 -0.65 0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 1.69 -0.83 4.61 0.00 -1.95 -1.01 119.26 121.78 2k5l h ALA 23 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2k5l h ALA 23 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2k5l h ALA 23 CO 0.00 0.12 0.38 -0.07 0.00 0.00 0.00 179.25 179.67 2k5l h LEU 24 N 0.82 1.10 -0.01 0.00 -0.00 -1.93 -2.86 115.31 112.43 2k5l h LEU 24 Ca 0.41 -0.15 0.03 0.00 -0.00 0.00 0.00 57.88 58.17 2k5l h LEU 24 Cb 0.47 -0.28 -0.04 0.00 -0.00 0.00 0.00 40.66 40.81 2k5l h LEU 24 CO -0.18 0.94 -0.19 0.11 -0.00 0.00 0.00 178.44 179.12 2k5l h LYS 25 N 1.19 -0.30 0.20 1.13 1.57 -1.48 -1.09 116.57 117.79 2k5l h LYS 25 Ca 0.28 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 2k5l h LYS 25 Cb 0.15 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 2k5l h LYS 25 CO -0.03 -0.20 -0.13 -0.09 -0.57 0.00 0.00 179.45 178.43 2k5l h ARG 26 N -0.31 -0.31 -0.17 3.15 2.43 -1.45 -0.95 114.38 116.78 2k5l h ARG 26 Ca 0.06 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2k5l h ARG 26 Cb 0.39 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2k5l h ARG 26 CO -0.19 -0.20 0.08 0.00 -1.51 0.00 0.00 179.97 178.15 2k5l h ARG 27 N -0.32 0.17 -0.23 0.20 3.08 -1.34 0.18 114.38 116.12 2k5l h ARG 27 Ca -0.02 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2k5l h ARG 27 Cb 0.27 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2k5l h ARG 27 CO 0.02 0.11 -0.05 0.82 -1.07 0.00 0.00 179.97 179.79 2k5l h ILE 28 N 0.17 1.17 -0.34 2.04 2.04 -1.13 -1.83 117.51 119.63 2k5l h ILE 28 Ca 0.07 -0.71 -0.16 0.00 1.00 0.00 0.00 64.86 65.06 2k5l h ILE 28 Cb 0.02 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2k5l h ILE 28 CO -0.05 0.23 -0.40 0.24 0.00 0.00 0.00 178.15 178.17 2k5l h MET 29 N 0.33 0.86 -0.08 2.37 2.86 -0.36 -2.24 114.93 118.67 2k5l h MET 29 Ca 0.07 -0.48 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 2k5l h MET 29 Cb 0.32 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2k5l h MET 29 CO 0.01 1.12 -0.01 -0.44 1.06 0.00 0.00 176.91 178.65 2k5l h ASP 30 N 0.65 0.10 0.58 1.22 3.32 -0.01 -1.05 116.42 121.24 2k5l h ASP 30 Ca 0.05 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 2k5l h ASP 30 Cb 0.99 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 2k5l h ASP 30 CO 0.10 0.14 -0.09 0.24 -1.72 0.00 0.00 179.24 177.91 2k5l h MET 31 N 0.12 0.00 0.00 3.56 2.86 -1.18 -3.45 114.93 116.84 2k5l h MET 31 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2k5l h MET 31 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2k5l h MET 31 CO 0.00 0.09 0.00 0.41 1.06 0.00 0.00 176.91 178.48 2k5l n GLY 32 N -0.41 1.05 3.49 8.32 0.00 -0.40 -5.09 105.19 112.15 2k5l n GLY 32 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 5.18 0.38 -0.61 -1.09 -0.86 -5.02 121.20 117.18 2k5l s ILE 33 Ca 0.00 -0.36 0.04 0.00 -2.23 0.00 0.00 60.65 58.09 2k5l s ILE 33 Cb 0.00 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 2k5l s ILE 33 CO 0.00 -0.29 0.07 0.42 -1.23 0.00 0.00 174.94 173.92 2k5l s THR 34 N 1.93 1.03 -0.07 2.92 -4.23 -1.26 -3.47 115.64 112.49 2k5l s THR 34 Ca 0.09 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.31 2k5l s THR 34 Cb -0.18 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 2k5l s THR 34 CO 0.12 0.00 1.59 -0.13 -0.54 0.00 0.00 174.62 175.66 2k5l s ARG 35 N -3.81 4.19 0.00 3.99 0.52 -1.26 -2.07 118.95 120.51 2k5l s ARG 35 Ca 0.28 2.11 0.00 0.00 -0.52 0.00 0.00 55.73 57.60 2k5l s ARG 35 Cb 0.06 -3.94 0.00 0.00 0.52 0.00 0.00 34.95 31.59 2k5l s ARG 35 CO 0.14 -0.82 0.00 0.41 0.02 0.00 0.00 175.30 175.05 2k5l n GLY 36 N 4.04 1.03 3.85 -3.53 0.00 0.12 -4.98 105.19 105.72 2k5l n GLY 36 Ca 0.17 0.00 -0.34 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 -1.63 4.11 -0.05 0.00 8.01 -1.26 -0.65 118.70 127.23 2k5l s GLU 38 Ca 0.23 0.65 -0.02 0.00 0.01 0.00 0.00 54.97 55.83 2k5l s GLU 38 Cb -0.12 -3.09 0.04 0.00 -4.31 0.00 0.00 34.13 26.65 2k5l s GLU 38 CO 0.13 0.56 0.11 0.42 0.01 0.00 0.00 175.26 176.49 2k5l s ILE 39 N -1.29 -0.05 -0.07 -1.63 1.01 0.13 -4.90 121.20 114.39 2k5l s ILE 39 Ca 0.34 0.19 0.04 0.00 0.00 0.00 0.00 60.65 61.21 2k5l s ILE 39 Cb -0.17 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.09 2k5l s ILE 39 CO 0.19 0.08 -0.18 -0.72 0.00 0.00 0.00 174.94 174.31 2k5l s TYR 40 N 1.15 2.63 -0.13 3.97 1.13 -1.26 -0.02 117.35 124.82 2k5l s TYR 40 Ca -0.09 -0.51 -0.29 0.00 -1.41 0.00 0.00 57.07 54.77 2k5l s TYR 40 Cb -0.12 -1.67 -0.03 0.00 -1.10 0.00 0.00 41.96 39.03 2k5l s TYR 40 CO -0.05 -0.08 1.51 0.42 -2.51 0.00 0.00 175.55 174.85 2k5l s ILE 41 N -0.22 3.84 -0.05 -3.49 -1.09 -1.08 -2.80 121.20 116.32 2k5l s ILE 41 Ca -0.00 1.00 -0.15 0.00 -2.23 0.00 0.00 60.65 59.27 2k5l s ILE 41 Cb -0.13 -3.69 -0.10 0.00 -1.58 0.00 0.00 42.46 36.95 2k5l s ILE 41 CO 0.03 -0.14 0.63 -0.09 -1.23 0.00 0.00 174.94 174.14 2k5l h ARG 42 N 9.34 -0.34 -2.44 2.79 9.65 -0.62 0.90 114.38 133.66 2k5l h ARG 42 Ca -0.34 0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.48 2k5l h ARG 42 Cb 1.15 0.08 -0.21 0.00 -1.39 0.00 0.00 29.97 29.60 2k5l h ARG 42 CO 0.97 -0.09 -0.04 0.15 2.80 0.00 0.00 179.97 183.76 2k5l s LYS 43 N -3.10 0.78 -0.17 0.20 1.02 -0.34 -4.53 119.74 113.59 2k5l s LYS 43 Ca -0.09 0.36 -0.03 0.00 0.02 0.00 0.00 55.97 56.23 2k5l s LYS 43 Cb 0.01 0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 37.66 2k5l s LYS 43 CO 0.29 -0.18 -0.05 0.08 -0.92 0.00 0.00 175.35 174.57 2k5l s VAL 44 N -0.59 3.66 0.48 3.17 1.01 -1.26 0.19 120.40 127.05 2k5l s VAL 44 Ca -0.07 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 2k5l s VAL 44 Cb -0.03 -2.62 -0.08 0.00 0.00 0.00 0.00 36.38 33.66 2k5l s VAL 44 CO 0.05 0.47 1.20 0.00 0.00 0.00 0.00 175.10 176.82 2k5l n ALA 45 N 3.94 1.02 0.28 5.51 0.00 -0.90 -4.84 120.51 125.52 2k5l n ALA 45 Ca -0.18 0.18 0.17 0.00 0.00 0.00 0.00 53.44 53.62 2k5l n ALA 45 Cb 0.52 -2.24 0.86 0.00 0.00 0.00 0.00 19.45 18.59 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 1.57 0.00 -0.27 0.00 0.11 -1.90 0.25 132.00 131.75 2k5l h PRO 46 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2k5l h PRO 46 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2k5l h PRO 46 CO 0.57 0.00 0.00 1.47 -0.21 0.00 0.00 178.00 179.83 2k5l n LEU 47 N -3.17 3.18 0.00 2.35 -0.00 -1.26 -4.96 117.00 113.15 2k5l n LEU 47 Ca -0.00 -1.38 0.00 0.00 -0.00 0.00 0.00 56.01 54.63 2k5l n LEU 47 Cb 0.38 -0.17 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 2k5l n LEU 47 CO 0.18 0.66 0.00 0.61 -0.00 0.00 0.00 177.39 178.84 2k5l n GLY 48 N 1.31 3.05 3.01 1.47 0.00 0.86 -4.97 105.19 109.93 2k5l n GLY 48 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.47 2.24 0.09 1.61 2.15 -1.26 -4.35 116.67 116.68 2k5l s ASP 49 Ca 0.00 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 52.61 2k5l s ASP 49 Cb 0.00 -0.98 0.00 0.00 -0.30 0.00 0.00 42.92 41.64 2k5l s ASP 49 CO 0.00 -0.02 0.00 -0.81 -0.17 0.00 0.00 175.17 174.17 2k5l n PRO 50 N 4.34 1.68 -5.02 4.34 -0.04 -1.26 -4.82 135.00 134.22 2k5l n PRO 50 Ca -0.18 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.96 2k5l n PRO 50 Cb 0.51 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.82 2k5l n PRO 50 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2k5l s ILE 51 N 1.14 2.62 -0.20 0.52 -4.36 0.42 -2.12 121.20 119.22 2k5l s ILE 51 Ca 0.00 -0.85 -0.12 0.00 -0.26 0.00 0.00 60.65 59.41 2k5l s ILE 51 Cb 0.00 -2.02 -0.05 0.00 1.25 0.00 0.00 42.46 41.64 2k5l s ILE 51 CO 0.00 0.56 0.24 -1.10 0.24 0.00 0.00 174.94 174.88 2k5l s GLN 52 N -0.17 4.18 0.18 0.37 1.11 0.13 -0.95 119.66 124.51 2k5l s GLN 52 Ca -0.02 -0.06 0.09 0.00 0.01 0.00 0.00 55.36 55.38 2k5l s GLN 52 Cb -0.14 -3.47 -0.04 0.00 -1.01 0.00 0.00 33.01 28.35 2k5l s GLN 52 CO 0.03 0.16 -0.18 0.96 0.01 0.00 0.00 175.29 176.28 2k5l s ILE 53 N 0.72 1.87 -0.26 1.08 -4.36 0.17 0.11 121.20 120.54 2k5l s ILE 53 Ca 0.13 -2.02 0.03 0.00 -0.26 0.00 0.00 60.65 58.52 2k5l s ILE 53 Cb -0.13 -1.93 0.06 0.00 1.25 0.00 0.00 42.46 41.71 2k5l s ILE 53 CO 0.03 -0.37 -0.10 0.21 0.24 0.00 0.00 174.94 174.95 2k5l s ASN 54 N -2.86 4.45 -0.01 4.36 3.84 -1.12 0.02 114.94 123.62 2k5l s ASN 54 Ca 0.18 -1.37 0.01 0.00 0.21 0.00 0.00 52.86 51.89 2k5l s ASN 54 Cb -0.05 -1.56 0.01 0.00 -0.55 0.00 0.00 41.25 39.10 2k5l s ASN 54 CO 0.07 -0.19 -0.01 -0.69 -2.79 0.00 0.00 177.10 173.49 2k5l s VAL 55 N 1.12 0.17 -0.27 -5.21 1.01 0.47 -4.26 120.40 113.44 2k5l s VAL 55 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2k5l s VAL 55 Cb -0.20 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 35.98 2k5l s VAL 55 CO -0.05 0.09 0.00 0.54 0.00 0.00 0.00 175.10 175.68 2k5l n ARG 56 N 3.46 -1.18 -0.25 2.72 5.12 -1.26 -0.50 116.66 124.77 2k5l n ARG 56 Ca -0.18 0.44 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 2k5l n ARG 56 Cb 0.56 -4.40 0.00 0.00 -1.16 0.00 0.00 32.46 27.46 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 -0.67 0.76 3.65 -0.13 0.00 -1.26 -5.06 105.19 102.48 2k5l n GLY 57 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.59 3.11 -0.44 1.61 2.02 0.35 -5.08 117.35 116.33 2k5l s TYR 58 Ca 0.00 0.13 -0.21 0.00 -0.37 0.00 0.00 57.07 56.62 2k5l s TYR 58 Cb 0.00 -1.78 0.02 0.00 -0.40 0.00 0.00 41.96 39.80 2k5l s TYR 58 CO 0.00 0.41 0.64 -1.83 -1.57 0.00 0.00 175.55 173.20 2k5l s GLU 59 N -0.78 3.29 0.12 -0.62 -1.05 -1.26 -0.39 118.70 118.00 2k5l s GLU 59 Ca 0.12 -0.36 0.04 0.00 -0.15 0.00 0.00 54.97 54.61 2k5l s GLU 59 Cb -0.11 -3.95 -0.04 0.00 -0.44 0.00 0.00 34.13 29.59 2k5l s GLU 59 CO 0.02 -1.00 0.11 -0.51 0.95 0.00 0.00 175.26 174.82 2k5l s LEU 60 N 2.82 3.82 -0.18 1.83 1.43 0.10 -4.91 118.68 123.59 2k5l s LEU 60 Ca 0.23 -0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2k5l s LEU 60 Cb -0.14 -2.47 0.04 0.00 0.03 0.00 0.00 46.19 43.66 2k5l s LEU 60 CO 0.19 0.13 -0.07 -0.55 0.23 0.00 0.00 176.35 176.28 2k5l s SER 61 N -2.71 3.00 -0.07 2.29 0.15 -1.26 0.45 113.70 115.56 2k5l s SER 61 Ca 0.30 -0.74 -0.01 0.00 0.70 0.00 0.00 55.95 56.20 2k5l s SER 61 Cb -0.11 -1.00 -0.03 0.00 -1.71 0.00 0.00 66.02 63.16 2k5l s SER 61 CO 0.23 -0.17 0.01 -0.76 1.20 0.00 0.00 173.24 173.74 2k5l s LEU 62 N 1.56 3.59 0.64 3.45 2.01 -0.13 -4.89 118.68 124.91 2k5l s LEU 62 Ca 0.00 0.12 -0.15 0.00 0.01 0.00 0.00 54.13 54.11 2k5l s LEU 62 Cb -0.16 -1.88 -0.01 0.00 0.01 0.00 0.00 46.19 44.16 2k5l s LEU 62 CO -0.08 0.36 1.08 -0.13 1.01 0.00 0.00 176.35 178.59 2k5l s ARG 63 N -1.05 3.02 0.41 1.70 0.52 -1.26 -0.44 118.95 121.85 2k5l s ARG 63 Ca 0.15 1.26 0.11 0.00 -0.52 0.00 0.00 55.73 56.73 2k5l s ARG 63 Cb -0.11 -1.99 0.94 0.00 0.52 0.00 0.00 34.95 34.31 2k5l s ARG 63 CO 0.04 -1.06 1.96 1.57 0.02 0.00 0.00 175.30 177.84 2k5l h LYS 64 N 0.09 0.51 -0.95 3.54 2.10 -1.92 -1.13 116.57 118.81 2k5l h LYS 64 Ca -0.46 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2k5l h LYS 64 Cb 1.23 -0.11 -0.05 0.00 -0.90 0.00 0.00 32.23 32.40 2k5l h LYS 64 CO 0.56 0.34 0.58 0.77 -2.00 0.00 0.00 179.45 179.70 2k5l h SER 65 N 0.52 1.13 0.45 7.07 0.02 -1.95 -1.61 113.55 119.19 2k5l h SER 65 Ca 0.31 -0.06 -0.20 0.00 -0.84 0.00 0.00 61.79 61.00 2k5l h SER 65 Cb 0.50 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2k5l h SER 65 CO -0.10 0.86 -0.86 0.00 -1.14 0.00 0.00 176.83 175.59 2k5l h ALA 66 N 1.34 0.50 -0.64 3.77 0.00 -1.60 -3.12 119.26 119.52 2k5l h ALA 66 Ca 0.34 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k5l h ALA 66 Cb -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2k5l h ALA 66 CO -0.07 0.85 0.39 0.00 0.00 0.00 0.00 179.25 180.43 2k5l h ALA 67 N 0.91 0.81 0.00 0.00 0.00 -0.71 -1.63 119.26 118.64 2k5l h ALA 67 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k5l h ALA 67 Cb 1.48 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2k5l h ALA 67 CO 0.14 0.27 0.00 -0.85 0.00 0.00 0.00 179.25 178.81 2k5l n GLU 68 N -4.61 0.04 0.01 0.00 0.28 -0.67 -1.47 120.64 114.22 2k5l n GLU 68 Ca 0.05 0.11 0.12 0.00 -0.16 0.00 0.00 57.16 57.27 2k5l n GLU 68 Cb 0.04 -1.56 0.19 0.00 1.43 0.00 0.00 31.44 31.54 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 -1.64 0.07 -3.64 3.44 2.81 -0.66 -4.82 117.12 112.69 2k5l n MET 69 Ca 0.06 0.01 -0.36 0.00 -1.81 0.00 0.00 57.70 55.60 2k5l n MET 69 Cb 0.31 -1.53 -0.08 0.00 -0.71 0.00 0.00 33.22 31.20 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 -3.04 5.36 -0.23 2.02 -1.09 -0.93 -1.01 121.20 122.28 2k5l s ILE 70 Ca 0.09 0.35 -0.09 0.00 -2.23 0.00 0.00 60.65 58.77 2k5l s ILE 70 Cb 0.16 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 2k5l s ILE 70 CO 0.73 0.41 0.12 -0.70 -1.23 0.00 0.00 174.94 174.27 2k5l s GLU 71 N 0.45 3.96 0.34 2.79 2.12 0.61 -0.41 118.70 128.56 2k5l s GLU 71 Ca 0.12 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.15 2k5l s GLU 71 Cb -0.12 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 2k5l s GLU 71 CO 0.01 0.05 0.13 0.14 -0.54 0.00 0.00 175.26 175.05 2k5l s VAL 72 N 1.03 0.59 0.01 3.70 -7.23 -0.71 -0.86 120.40 116.93 2k5l s VAL 72 Ca 0.06 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 2k5l s VAL 72 Cb -0.14 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.29 2k5l s VAL 72 CO 0.04 0.00 -0.02 -0.70 -0.31 0.00 0.00 175.10 174.11 2k5l s GLU 73 N -3.80 0.17 0.18 4.82 2.56 -0.08 -4.66 118.70 117.90 2k5l s GLU 73 Ca 0.32 -0.22 -0.30 0.00 0.00 0.00 0.00 54.97 54.76 2k5l s GLU 73 Cb 0.05 -0.05 -0.09 0.00 2.00 0.00 0.00 34.13 36.04 2k5l s GLU 73 CO 0.16 0.01 1.32 -0.51 -0.56 0.00 0.00 175.26 175.68 2k5l s LEU 74 N -0.47 4.41 -0.56 2.70 2.01 -1.26 0.35 118.68 125.85 2k5l s LEU 74 Ca -0.04 2.39 -0.27 0.00 0.01 0.00 0.00 54.13 56.22 2k5l s LEU 74 Cb -0.03 -3.61 -0.02 0.00 0.01 0.00 0.00 46.19 42.54 2k5l s LEU 74 CO -0.00 -0.55 1.80 -0.70 1.01 0.00 0.00 176.35 177.90 2k5l s GLU 75 N 0.10 2.83 -0.46 1.70 -6.30 -0.33 -4.74 118.70 111.49 2k5l s GLU 75 Ca 0.58 0.72 0.04 0.00 -2.50 0.00 0.00 54.97 53.82 2k5l s GLU 75 Cb -0.37 -4.32 0.24 0.00 0.00 0.00 0.00 34.13 29.68 2k5l s GLU 75 CO 0.37 -2.49 0.95 1.58 0.02 0.00 0.00 175.26 175.68 2k5l n HIS 76 N 11.96 -2.81 -1.47 5.30 -0.00 -1.26 -4.95 115.22 121.98 2k5l n HIS 76 Ca 0.20 -1.49 -0.55 0.00 0.46 0.00 0.00 57.72 56.34 2k5l n HIS 76 Cb 0.51 1.46 -0.08 0.00 -0.12 0.00 0.00 29.99 31.76 2k5l n HIS 76 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2k5l n HIS 77 N 1.77 1.62 -4.28 1.57 -0.00 -1.26 -4.96 115.22 109.67 2k5l n HIS 77 Ca 0.08 0.47 -0.22 0.00 -0.00 0.00 0.00 57.72 58.06 2k5l n HIS 77 Cb 0.64 -2.45 -0.12 0.00 -0.00 0.00 0.00 29.99 28.06 2k5l n HIS 77 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k5l s HIS 78 N 5.99 1.69 -0.29 1.57 3.76 -1.26 -5.12 115.29 121.62 2k5l s HIS 78 Ca 1.09 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 55.56 2k5l s HIS 78 Cb -1.07 -0.90 0.09 0.00 1.11 0.00 0.00 32.58 31.81 2k5l s HIS 78 CO 0.58 0.21 0.05 -1.01 -0.85 0.00 0.00 174.74 173.72 2k5l s HIS 79 N -1.51 2.32 -0.18 1.40 3.76 -1.26 -5.10 115.29 114.72 2k5l s HIS 79 Ca 0.08 -1.99 -0.22 0.00 -0.15 0.00 0.00 55.06 52.78 2k5l s HIS 79 Cb -0.08 -1.94 0.06 0.00 1.11 0.00 0.00 32.58 31.73 2k5l s HIS 79 CO 0.04 -0.85 0.58 -1.58 -0.85 0.00 0.00 174.74 172.08 2k5l s HIS 80 N 1.41 -0.61 -0.35 1.40 5.04 -1.26 -5.36 115.29 115.56 2k5l s HIS 80 Ca 0.06 1.41 0.03 0.00 -1.54 0.00 0.00 55.06 55.02 2k5l s HIS 80 Cb -0.18 0.24 0.02 0.00 0.04 0.00 0.00 32.58 32.70 2k5l s HIS 80 CO -0.16 -0.37 0.59 0.72 -2.34 0.00 0.00 174.74 173.18