#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hcc s PHE 2 N 0.00 -0.35 0.30 4.41 5.36 -1.26 -5.12 117.98 121.32 2hcc s PHE 2 Ca 0.00 0.71 0.00 0.00 -0.96 0.00 0.00 56.93 56.68 2hcc s PHE 2 Cb 0.00 0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.84 2hcc s PHE 2 CO 0.00 -0.35 0.00 0.00 -1.46 0.00 0.00 175.22 173.41 2hcc n ALA 3 N 1.84 -3.23 -1.00 11.12 0.00 -1.26 -4.86 120.51 123.12 2hcc n ALA 3 Ca -0.18 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2hcc n ALA 3 Cb 0.57 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2hcc n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hcc n ALA 4 N -2.57 0.00 -4.04 0.00 0.00 -1.26 -5.03 120.51 107.61 2hcc n ALA 4 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 2hcc n ALA 4 Cb 0.62 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.92 2hcc n ALA 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hcc s ASP 5 N -1.27 3.46 -0.11 0.00 1.01 -1.26 -5.10 116.67 113.39 2hcc s ASP 5 Ca 0.00 -0.89 -0.06 0.00 0.71 0.00 0.00 52.55 52.31 2hcc s ASP 5 Cb 0.00 -1.35 0.05 0.00 1.01 0.00 0.00 42.92 42.62 2hcc s ASP 5 CO 0.00 -0.11 0.27 0.00 0.21 0.00 0.00 175.17 175.54 2hcc n THR 8 N 2.23 0.09 -2.60 0.00 5.66 -1.26 -4.74 114.28 113.65 2hcc n THR 8 Ca -0.14 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 2hcc n THR 8 Cb 0.53 0.40 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 2hcc n THR 8 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2hcc n SER 9 N -1.86 0.00 -3.88 1.09 2.88 -1.26 -5.14 113.62 105.44 2hcc n SER 9 Ca 0.02 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.46 2hcc n SER 9 Cb 0.42 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.82 2hcc n SER 9 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2hcc s TYR 10 N -0.32 0.22 1.11 0.66 2.02 -1.26 -4.67 117.35 115.12 2hcc s TYR 10 Ca 0.00 -0.59 -0.20 0.00 -0.37 0.00 0.00 57.07 55.92 2hcc s TYR 10 Cb 0.00 0.08 0.08 0.00 -0.40 0.00 0.00 41.96 41.72 2hcc s TYR 10 CO 0.00 -0.77 -0.13 0.44 -1.57 0.00 0.00 175.55 173.52 2hcc n ILE 11 N -0.24 0.00 1.26 2.71 -0.00 -0.21 -4.88 119.36 118.00 2hcc n ILE 11 Ca -0.09 -0.28 0.13 0.00 -0.00 0.00 0.00 62.75 62.52 2hcc n ILE 11 Cb 0.63 -0.56 0.33 0.00 -0.00 0.00 0.00 39.64 40.04 2hcc n ILE 11 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 2hcc n SER 12 N -1.27 1.63 -0.40 7.28 2.88 -1.26 -4.96 113.62 117.52 2hcc n SER 12 Ca 0.00 -1.36 0.00 0.00 -1.33 0.00 0.00 58.87 56.19 2hcc n SER 12 Cb 0.64 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 2hcc n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hcc n GLN 13 N 0.02 0.00 -2.18 -1.46 10.64 -1.26 -5.14 117.38 118.01 2hcc n GLN 13 Ca 0.14 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.94 2hcc n GLN 13 Cb 0.41 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.79 2hcc n GLN 13 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2hcc s SER 14 N 0.50 5.95 0.23 2.61 0.01 -1.26 -4.96 113.70 116.78 2hcc s SER 14 Ca 0.00 2.36 -0.30 0.00 1.31 0.00 0.00 55.95 59.33 2hcc s SER 14 Cb 0.00 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.54 2hcc s SER 14 CO 0.00 -1.08 1.23 -0.63 0.41 0.00 0.00 173.24 173.17 2hcc s ILE 15 N -1.53 3.33 -1.14 1.44 -1.09 -1.26 -4.92 121.20 116.02 2hcc s ILE 15 Ca 0.66 1.18 -0.21 0.00 -2.23 0.00 0.00 60.65 60.05 2hcc s ILE 15 Cb -0.30 -3.75 0.03 0.00 -1.58 0.00 0.00 42.46 36.86 2hcc s ILE 15 CO 0.36 0.22 1.68 -2.16 -1.23 0.00 0.00 174.94 173.81 2hcc s PRO 16 N -0.68 3.49 0.54 2.79 0.04 -1.26 -4.79 135.00 135.13 2hcc s PRO 16 Ca 0.52 -1.38 0.19 0.00 0.04 0.00 0.00 61.00 60.37 2hcc s PRO 16 Cb -0.35 -5.38 1.39 0.00 0.04 0.00 0.00 34.50 30.20 2hcc s PRO 16 CO 0.40 -2.60 2.17 0.00 0.04 0.00 0.00 177.00 177.02 2hcc n SER 18 N -4.39 0.00 0.00 0.00 2.88 -1.26 -2.61 113.62 108.25 2hcc n SER 18 Ca -0.03 -0.87 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 2hcc n SER 18 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2hcc n SER 18 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2hcc n LEU 19 N -0.62 0.18 -4.81 2.46 4.77 -0.58 -5.05 117.00 113.35 2hcc n LEU 19 Ca 0.03 -0.22 -0.36 0.00 -0.03 0.00 0.00 56.01 55.42 2hcc n LEU 19 Cb 0.01 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 2hcc n LEU 19 CO 0.02 0.04 -0.17 -0.04 -1.33 0.00 0.00 177.39 175.92 2hcc s MET 20 N -0.09 3.79 0.09 3.23 -1.94 -1.07 -3.60 119.30 119.70 2hcc s MET 20 Ca 0.00 -0.16 0.21 0.00 -1.71 0.00 0.00 55.69 54.02 2hcc s MET 20 Cb 0.00 -3.30 -0.13 0.00 2.01 0.00 0.00 34.83 33.41 2hcc s MET 20 CO 0.00 0.56 0.79 0.36 -0.01 0.00 0.00 175.02 176.72 2hcc n LYS 21 N 2.69 0.63 -3.87 2.03 2.85 -0.30 -4.86 118.16 117.32 2hcc n LYS 21 Ca -0.18 0.06 -0.09 0.00 -1.05 0.00 0.00 58.31 57.05 2hcc n LYS 21 Cb 0.54 -1.73 -0.00 0.00 -0.65 0.00 0.00 35.03 33.18 2hcc n LYS 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2hcc s SER 22 N -5.26 0.03 0.00 -5.58 0.15 -1.04 -4.99 113.70 97.00 2hcc s SER 22 Ca -0.04 -1.01 -0.15 0.00 0.70 0.00 0.00 55.95 55.45 2hcc s SER 22 Cb 0.10 0.77 0.02 0.00 -1.71 0.00 0.00 66.02 65.21 2hcc s SER 22 CO 0.83 -1.50 0.32 -0.72 1.20 0.00 0.00 173.24 173.37 2hcc s TYR 23 N -3.00 -0.17 -0.02 3.44 -0.85 -1.26 -1.16 117.35 114.32 2hcc s TYR 23 Ca 0.17 0.21 -0.15 0.00 -0.52 0.00 0.00 57.07 56.77 2hcc s TYR 23 Cb -0.04 0.11 0.02 0.00 0.38 0.00 0.00 41.96 42.43 2hcc s TYR 23 CO 0.11 -0.43 0.32 -0.59 -1.52 0.00 0.00 175.55 173.44 2hcc s PHE 24 N -1.68 -0.20 0.01 -3.49 -0.12 -0.62 -4.95 117.98 106.93 2hcc s PHE 24 Ca -0.11 0.31 -0.16 0.00 -0.05 0.00 0.00 56.93 56.91 2hcc s PHE 24 Cb -0.04 0.11 -0.06 0.00 -0.63 0.00 0.00 43.02 42.40 2hcc s PHE 24 CO 0.02 -0.40 0.45 -1.21 -0.05 0.00 0.00 175.22 174.04 2hcc s GLU 25 N -1.31 4.02 0.34 1.99 2.02 -1.26 -1.31 118.70 123.19 2hcc s GLU 25 Ca -0.13 0.50 -0.06 0.00 0.02 0.00 0.00 54.97 55.30 2hcc s GLU 25 Cb -0.05 -3.24 0.09 0.00 0.10 0.00 0.00 34.13 31.02 2hcc s GLU 25 CO 0.04 0.64 0.24 0.25 0.02 0.00 0.00 175.26 176.45 2hcc n THR 26 N 1.94 0.00 -3.70 3.63 -2.24 -0.70 -4.96 114.28 108.26 2hcc n THR 26 Ca -0.13 -0.05 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 2hcc n THR 26 Cb 0.52 -0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 68.11 2hcc n THR 26 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2hcc s SER 27 N -2.25 6.54 0.00 3.42 0.01 -1.26 -4.90 113.70 115.26 2hcc s SER 27 Ca 0.17 0.63 0.11 0.00 1.31 0.00 0.00 55.95 58.17 2hcc s SER 27 Cb -0.02 -2.12 0.53 0.00 0.21 0.00 0.00 66.02 64.62 2hcc s SER 27 CO 0.14 0.22 1.28 -1.20 0.41 0.00 0.00 173.24 174.09 2hcc n SER 28 N 1.01 0.00 0.19 2.44 7.64 -1.26 -2.11 113.62 121.53 2hcc n SER 28 Ca -0.10 0.25 0.05 0.00 1.01 0.00 0.00 58.87 60.08 2hcc n SER 28 Cb 0.53 -0.36 0.32 0.00 -1.01 0.00 0.00 64.21 63.69 2hcc n SER 28 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2hcc h GLU 29 N 0.00 0.00 -6.96 1.43 4.57 -1.99 -3.44 114.58 108.19 2hcc h GLU 29 Ca 0.00 0.00 -0.50 0.00 -1.18 0.00 0.00 59.36 57.68 2hcc h GLU 29 Cb 0.13 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 28.76 2hcc h GLU 29 CO 0.00 0.38 0.45 0.00 -1.18 0.00 0.00 179.01 178.67 2hcc n SER 31 N -0.08 0.00 -3.42 0.00 7.64 -1.26 -4.32 113.62 112.18 2hcc n SER 31 Ca 0.05 0.44 -0.11 0.00 1.01 0.00 0.00 58.87 60.26 2hcc n SER 31 Cb 0.48 -0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 63.14 2hcc n SER 31 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2hcc s LYS 32 N -2.90 0.31 0.00 1.43 2.20 -1.26 -5.15 119.74 114.36 2hcc s LYS 32 Ca 0.02 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 2hcc s LYS 32 Cb 0.03 -0.50 0.00 0.00 -1.51 0.00 0.00 37.83 35.84 2hcc s LYS 32 CO 0.07 -0.58 0.00 -0.35 -0.36 0.00 0.00 175.35 174.12 2hcc n PRO 33 N 5.36 -0.36 0.00 4.03 -0.04 -1.26 -4.36 135.00 138.38 2hcc n PRO 33 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2hcc n PRO 33 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 2hcc n PRO 33 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hcc n GLY 34 N 3.04 3.83 3.45 0.55 0.00 -1.26 -4.55 105.19 110.26 2hcc n GLY 34 Ca 0.00 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 2hcc n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hcc s VAL 35 N -2.00 4.54 -0.18 1.61 1.01 -0.79 -1.72 120.40 122.86 2hcc s VAL 35 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 2hcc s VAL 35 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 2hcc s VAL 35 CO 0.00 0.17 0.15 -0.63 0.00 0.00 0.00 175.10 174.79 2hcc s ILE 36 N 1.62 5.42 -0.11 2.22 1.01 -0.43 -1.66 121.20 129.27 2hcc s ILE 36 Ca 0.05 0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.82 2hcc s ILE 36 Cb -0.16 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 2hcc s ILE 36 CO 0.06 0.47 0.25 -0.36 0.00 0.00 0.00 174.94 175.35 2hcc s PHE 37 N 0.14 3.57 -0.27 3.97 0.40 -0.94 -1.59 117.98 123.25 2hcc s PHE 37 Ca 0.10 0.64 -0.12 0.00 -0.60 0.00 0.00 56.93 56.94 2hcc s PHE 37 Cb -0.11 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.21 2hcc s PHE 37 CO -0.01 0.53 0.26 -0.51 0.70 0.00 0.00 175.22 176.19 2hcc s LEU 38 N -0.47 4.03 0.20 -0.37 2.01 -0.31 -1.50 118.68 122.26 2hcc s LEU 38 Ca 0.17 0.11 -0.13 0.00 0.01 0.00 0.00 54.13 54.29 2hcc s LEU 38 Cb -0.13 -2.24 -0.07 0.00 0.01 0.00 0.00 46.19 43.76 2hcc s LEU 38 CO 0.06 -0.10 0.57 0.42 1.01 0.00 0.00 176.35 178.31 2hcc s THR 39 N 1.86 4.87 0.39 5.49 -4.23 -0.70 -1.15 115.64 122.17 2hcc s THR 39 Ca 0.10 0.70 0.20 0.00 -1.18 0.00 0.00 61.69 61.51 2hcc s THR 39 Cb -0.16 -3.68 0.21 0.00 1.34 0.00 0.00 72.50 70.21 2hcc s THR 39 CO 0.10 0.08 1.97 0.50 -0.54 0.00 0.00 174.62 176.73 2hcc h LYS 40 N 3.03 0.00 0.00 3.99 3.64 -1.89 -1.64 116.57 123.70 2hcc h LYS 40 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2hcc h LYS 40 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2hcc h LYS 40 CO 0.67 0.21 0.00 1.17 -2.27 0.00 0.00 179.45 179.23 2hcc n LYS 41 N -3.91 0.18 -0.39 1.90 4.81 -1.26 -4.84 118.16 114.65 2hcc n LYS 41 Ca -0.02 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2hcc n LYS 41 Cb 0.30 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.85 2hcc n LYS 41 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hcc n GLY 42 N -0.01 0.89 3.54 3.14 0.00 -0.62 -5.13 105.19 107.01 2hcc n GLY 42 Ca 0.07 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 2hcc n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hcc s ARG 43 N -2.26 1.99 -0.11 1.61 3.52 -1.22 -4.97 118.95 117.51 2hcc s ARG 43 Ca 0.00 -1.72 -0.08 0.00 -0.13 0.00 0.00 55.73 53.80 2hcc s ARG 43 Cb 0.00 0.48 0.03 0.00 -1.56 0.00 0.00 34.95 33.90 2hcc s ARG 43 CO 0.00 -0.84 0.28 -0.65 -0.81 0.00 0.00 175.30 173.27 2hcc s GLN 44 N -2.89 0.29 0.39 5.12 -0.21 -1.26 -1.71 119.66 119.39 2hcc s GLN 44 Ca 0.28 0.45 0.08 0.00 0.02 0.00 0.00 55.36 56.19 2hcc s GLN 44 Cb -0.01 0.06 -0.05 0.00 1.00 0.00 0.00 33.01 34.01 2hcc s GLN 44 CO 0.19 -0.08 0.11 0.08 -2.12 0.00 0.00 175.29 173.47 2hcc s VAL 45 N 0.56 2.44 -0.17 1.09 1.01 -0.56 -4.90 120.40 119.86 2hcc s VAL 45 Ca -0.03 -1.80 -0.01 0.00 0.00 0.00 0.00 61.98 60.13 2hcc s VAL 45 Cb -0.05 -2.94 0.05 0.00 0.00 0.00 0.00 36.38 33.44 2hcc s VAL 45 CO -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 175.10 174.98 2hcc s ALA 47 N 1.72 2.33 1.45 0.00 0.00 -0.66 -1.05 121.76 125.56 2hcc s ALA 47 Ca -0.00 -1.68 -0.24 0.00 0.00 0.00 0.00 51.96 50.04 2hcc s ALA 47 Cb -0.16 -0.21 0.37 0.00 0.00 0.00 0.00 23.12 23.13 2hcc s ALA 47 CO -0.07 0.24 0.85 1.63 0.00 0.00 0.00 175.76 178.40 2hcc n LYS 48 N -0.17 -4.73 -0.10 0.00 5.02 -1.26 -1.89 118.16 115.03 2hcc n LYS 48 Ca -0.09 -1.40 -0.14 0.00 -2.02 0.00 0.00 58.31 54.65 2hcc n LYS 48 Cb 0.59 -1.90 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 2hcc n LYS 48 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2hcc h PRO 49 N -3.60 0.92 -0.45 1.97 0.13 -1.94 -3.36 132.00 125.66 2hcc h PRO 49 Ca -0.39 -0.53 -0.30 0.00 -0.87 0.00 0.00 66.00 63.91 2hcc h PRO 49 Cb 1.30 0.04 -0.39 0.00 0.13 0.00 0.00 31.00 32.08 2hcc h PRO 49 CO 0.24 1.18 -1.03 0.43 -0.23 0.00 0.00 178.00 178.59 2hcc n SER 50 N -4.03 2.28 -4.69 1.44 7.64 -1.26 -4.83 113.62 110.16 2hcc n SER 50 Ca -0.03 -2.46 -0.33 0.00 1.01 0.00 0.00 58.87 57.06 2hcc n SER 50 Cb 0.59 -0.43 0.14 0.00 -1.01 0.00 0.00 64.21 63.49 2hcc n SER 50 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2hcc s GLY 51 N -3.59 2.07 -0.62 0.23 0.00 -1.26 -4.84 107.32 99.31 2hcc s GLY 51 Ca 0.33 0.80 -0.26 0.00 0.00 0.00 0.00 44.72 45.59 2hcc s GLY 51 CO -0.03 1.22 1.89 2.56 0.00 0.00 0.00 173.10 178.73 2hcc s PRO 52 N -4.24 2.60 0.00 2.90 0.04 -1.26 -2.09 135.00 132.95 2hcc s PRO 52 Ca 0.72 0.61 0.00 0.00 0.04 0.00 0.00 61.00 62.37 2hcc s PRO 52 Cb -0.28 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 29.85 2hcc s PRO 52 CO 0.52 -2.78 0.00 0.41 0.04 0.00 0.00 177.00 175.19 2hcc n GLY 53 N 5.75 0.59 0.13 0.56 0.00 -1.26 -4.55 105.19 106.42 2hcc n GLY 53 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 2hcc n GLY 53 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2hcc h VAL 54 N 0.00 1.15 0.00 1.61 2.07 -1.74 -1.06 116.25 118.28 2hcc h VAL 54 Ca 0.00 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 2hcc h VAL 54 Cb 0.00 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2hcc h VAL 54 CO 0.00 0.15 -0.15 -0.61 0.02 0.00 0.00 177.57 176.97 2hcc h GLN 55 N 0.27 0.00 -0.37 1.57 5.75 -1.88 -1.96 115.11 118.48 2hcc h GLN 55 Ca 0.09 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.43 2hcc h GLN 55 Cb 0.12 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 2hcc h GLN 55 CO -0.01 0.15 -0.37 -0.44 -2.65 0.00 0.00 178.83 175.51 2hcc h ASP 56 N 0.00 0.94 -0.15 -0.69 5.19 -1.60 0.24 116.42 120.35 2hcc h ASP 56 Ca -0.00 -0.42 -0.01 0.00 -0.62 0.00 0.00 57.03 55.98 2hcc h ASP 56 Cb 0.46 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 2hcc h ASP 56 CO 0.02 1.20 0.03 0.00 -3.12 0.00 0.00 179.24 177.37 2hcc h MET 58 N 0.04 0.00 0.17 0.00 2.86 -1.38 -2.32 114.93 114.30 2hcc h MET 58 Ca 0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2hcc h MET 58 Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2hcc h MET 58 CO 0.00 0.00 -0.08 -0.22 1.06 0.00 0.00 176.91 177.67 2hcc h LYS 59 N 0.00 -0.23 0.00 1.72 3.64 -0.02 -1.64 116.57 120.05 2hcc h LYS 59 Ca 0.00 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 2hcc h LYS 59 Cb 0.58 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2hcc h LYS 59 CO 0.00 0.08 -0.35 -0.22 -2.27 0.00 0.00 179.45 176.69 2hcc h LYS 60 N -0.54 0.00 0.00 1.90 1.63 -1.45 -2.35 116.57 115.77 2hcc h LYS 60 Ca -0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2hcc h LYS 60 Cb 0.41 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 2hcc h LYS 60 CO 0.04 0.35 0.00 1.28 -3.45 0.00 0.00 179.45 177.67 2hcc n LEU 61 N -3.74 0.00 -4.70 5.20 4.32 -0.88 -4.80 117.00 112.40 2hcc n LEU 61 Ca -0.01 0.20 -0.42 0.00 -0.02 0.00 0.00 56.01 55.76 2hcc n LEU 61 Cb 0.44 -0.20 -0.03 0.00 -1.62 0.00 0.00 43.42 42.01 2hcc n LEU 61 CO 0.37 -0.02 1.17 -0.75 -1.22 0.00 0.00 177.39 176.94 2hcc s LYS 62 N -2.41 4.26 0.00 3.23 2.20 -0.64 -5.00 119.74 121.39 2hcc s LYS 62 Ca 0.31 2.10 0.00 0.00 -0.36 0.00 0.00 55.97 58.03 2hcc s LYS 62 Cb 0.19 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 2hcc s LYS 62 CO 0.40 -0.59 0.00 -0.35 -0.36 0.00 0.00 175.35 174.45 2hcc n PRO 63 N 5.07 -0.69 -2.79 4.03 -0.04 -1.26 -4.76 135.00 134.56 2hcc n PRO 63 Ca 0.14 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.54 2hcc n PRO 63 Cb 0.42 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.89 2hcc n PRO 63 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2hcc n TYR 64 N -2.32 -3.64 -2.90 0.54 4.01 -1.26 -4.91 117.16 106.68 2hcc n TYR 64 Ca 0.00 1.52 -0.42 0.00 -0.16 0.00 0.00 57.90 58.84 2hcc n TYR 64 Cb 0.00 -4.05 -0.04 0.00 -0.31 0.00 0.00 39.34 34.93 2hcc n TYR 64 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2hcc s SER 65 N -2.27 6.68 0.00 7.72 0.01 -1.26 -5.24 113.70 119.33 2hcc s SER 65 Ca 0.17 0.65 0.00 0.00 1.31 0.00 0.00 55.95 58.07 2hcc s SER 65 Cb -0.05 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2hcc s SER 65 CO 0.77 -0.69 0.00 -0.38 0.41 0.00 0.00 173.24 173.35