#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hcc n PHE 2 N 0.00 0.00 -4.08 1.57 -1.74 -1.26 -5.18 117.46 106.77 2hcc n PHE 2 Ca 0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.80 2hcc n PHE 2 Cb 0.00 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 40.97 2hcc n PHE 2 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2hcc n ALA 3 N -3.00 0.26 -1.73 1.98 0.00 -1.26 -5.11 120.51 111.65 2hcc n ALA 3 Ca 0.00 -0.87 -0.42 0.00 0.00 0.00 0.00 53.44 52.15 2hcc n ALA 3 Cb 0.00 0.70 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 2hcc n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hcc s ALA 4 N -2.55 3.92 0.32 0.00 0.00 -1.26 -4.99 121.76 117.21 2hcc s ALA 4 Ca 0.18 1.59 -0.00 0.00 0.00 0.00 0.00 51.96 53.73 2hcc s ALA 4 Cb 0.01 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 2hcc s ALA 4 CO 0.12 -0.94 0.53 -0.51 0.00 0.00 0.00 175.76 174.96 2hcc s ASP 5 N 1.08 6.32 0.01 0.00 1.01 -1.26 -4.96 116.67 118.87 2hcc s ASP 5 Ca 0.73 0.47 -0.11 0.00 0.71 0.00 0.00 52.55 54.35 2hcc s ASP 5 Cb -0.50 -2.04 0.01 0.00 1.01 0.00 0.00 42.92 41.41 2hcc s ASP 5 CO 0.34 -0.25 0.22 0.00 0.21 0.00 0.00 175.17 175.69 2hcc n THR 8 N 2.19 0.01 -3.62 0.00 5.66 -1.26 -4.95 114.28 112.30 2hcc n THR 8 Ca -0.11 -0.20 -0.07 0.00 -3.05 0.00 0.00 64.05 60.62 2hcc n THR 8 Cb 0.51 0.59 -0.06 0.00 -1.55 0.00 0.00 70.33 69.82 2hcc n THR 8 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2hcc s SER 9 N -3.61 -0.29 0.44 1.09 1.04 -1.26 -5.17 113.70 105.94 2hcc s SER 9 Ca 0.02 0.47 -0.03 0.00 0.48 0.00 0.00 55.95 56.89 2hcc s SER 9 Cb 0.15 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 2hcc s SER 9 CO 0.88 -0.16 0.70 -0.31 0.98 0.00 0.00 173.24 175.34 2hcc s TYR 10 N -0.32 3.53 1.10 5.02 2.02 -1.26 -4.57 117.35 122.87 2hcc s TYR 10 Ca 0.03 0.63 -0.15 0.00 -0.37 0.00 0.00 57.07 57.22 2hcc s TYR 10 Cb -0.03 -2.17 0.16 0.00 -0.40 0.00 0.00 41.96 39.52 2hcc s TYR 10 CO -0.06 -0.15 0.50 0.44 -1.57 0.00 0.00 175.55 174.70 2hcc n ILE 11 N -2.10 0.00 0.95 2.71 -0.00 -0.37 -4.91 119.36 115.65 2hcc n ILE 11 Ca -0.01 -0.31 0.12 0.00 -0.00 0.00 0.00 62.75 62.54 2hcc n ILE 11 Cb 0.56 -0.77 0.11 0.00 -0.00 0.00 0.00 39.64 39.53 2hcc n ILE 11 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2hcc n SER 12 N -2.97 3.03 -2.07 7.28 3.41 -1.26 -4.98 113.62 116.06 2hcc n SER 12 Ca 0.03 -2.00 -0.08 0.00 -0.26 0.00 0.00 58.87 56.56 2hcc n SER 12 Cb 0.57 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 2hcc n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hcc n GLN 13 N 1.36 0.30 -1.55 4.33 10.64 -1.26 -5.13 117.38 126.06 2hcc n GLN 13 Ca 0.14 -1.54 -0.38 0.00 -1.83 0.00 0.00 57.00 53.40 2hcc n GLN 13 Cb 0.60 1.38 0.04 0.00 -0.86 0.00 0.00 30.24 31.41 2hcc n GLN 13 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 2hcc n SER 14 N -2.07 -0.00 -4.77 2.61 3.41 -1.26 -4.89 113.62 106.65 2hcc n SER 14 Ca 0.02 0.79 -0.39 0.00 -0.26 0.00 0.00 58.87 59.03 2hcc n SER 14 Cb 0.30 -1.29 -0.02 0.00 -0.26 0.00 0.00 64.21 62.94 2hcc n SER 14 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2hcc s ILE 15 N -1.59 3.18 -1.60 -1.33 -1.09 -1.26 -4.90 121.20 112.61 2hcc s ILE 15 Ca 0.72 1.04 -0.10 0.00 -2.23 0.00 0.00 60.65 60.08 2hcc s ILE 15 Cb -0.44 -3.61 -0.07 0.00 -1.58 0.00 0.00 42.46 36.77 2hcc s ILE 15 CO 0.51 0.14 2.88 -0.81 -1.23 0.00 0.00 174.94 176.43 2hcc n PRO 16 N 0.36 3.72 0.29 2.79 -0.04 -1.26 -4.64 135.00 136.22 2hcc n PRO 16 Ca 0.03 -2.31 0.16 0.00 -0.04 0.00 0.00 63.50 61.34 2hcc n PRO 16 Cb 0.46 -2.82 0.88 0.00 -0.04 0.00 0.00 33.50 31.98 2hcc n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hcc n SER 18 N -3.45 0.00 0.00 0.00 7.64 -1.26 -2.65 113.62 113.90 2hcc n SER 18 Ca -0.02 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.27 2hcc n SER 18 Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2hcc n SER 18 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2hcc n LEU 19 N -0.83 0.00 -4.79 -3.43 4.32 -0.87 -5.07 117.00 106.33 2hcc n LEU 19 Ca 0.07 -0.02 -0.37 0.00 -0.02 0.00 0.00 56.01 55.68 2hcc n LEU 19 Cb 0.03 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.77 2hcc n LEU 19 CO 0.05 0.02 0.01 -0.04 -1.22 0.00 0.00 177.39 176.21 2hcc s MET 20 N 0.00 4.02 0.01 3.23 -1.94 -1.08 -3.48 119.30 120.06 2hcc s MET 20 Ca 0.00 0.18 0.17 0.00 -1.71 0.00 0.00 55.69 54.33 2hcc s MET 20 Cb 0.00 -3.32 -0.17 0.00 2.01 0.00 0.00 34.83 33.34 2hcc s MET 20 CO 0.00 0.46 0.68 0.36 -0.01 0.00 0.00 175.02 176.51 2hcc n LYS 21 N 2.78 0.63 -3.95 2.03 2.85 -0.26 -4.86 118.16 117.39 2hcc n LYS 21 Ca -0.13 0.16 -0.12 0.00 -1.05 0.00 0.00 58.31 57.16 2hcc n LYS 21 Cb 0.52 -1.74 -0.01 0.00 -0.65 0.00 0.00 35.03 33.15 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 -5.64 0.47 0.02 -5.58 0.15 -1.05 -4.96 113.70 97.12 2hcc s SER 22 Ca -0.04 -1.31 -0.15 0.00 0.70 0.00 0.00 55.95 55.15 2hcc s SER 22 Cb 0.09 0.76 0.02 0.00 -1.71 0.00 0.00 66.02 65.18 2hcc s SER 22 CO 0.82 -1.49 0.32 -0.72 1.20 0.00 0.00 173.24 173.37 2hcc s TYR 23 N -2.71 -0.15 -0.07 3.44 -0.85 -1.26 -1.03 117.35 114.72 2hcc s TYR 23 Ca 0.23 0.11 -0.11 0.00 -0.52 0.00 0.00 57.07 56.79 2hcc s TYR 23 Cb -0.03 0.11 0.02 0.00 0.38 0.00 0.00 41.96 42.44 2hcc s TYR 23 CO 0.16 -0.46 0.27 -0.59 -1.52 0.00 0.00 175.55 173.40 2hcc s PHE 24 N -2.05 -0.23 0.12 -3.49 -0.12 -0.78 -4.94 117.98 106.49 2hcc s PHE 24 Ca -0.08 0.52 -0.13 0.00 -0.05 0.00 0.00 56.93 57.19 2hcc s PHE 24 Cb -0.03 0.08 -0.07 0.00 -0.63 0.00 0.00 43.02 42.38 2hcc s PHE 24 CO -0.00 -0.22 0.50 -1.83 -0.05 0.00 0.00 175.22 173.62 2hcc s GLU 25 N -0.39 3.91 0.11 1.99 -1.05 -1.26 -1.55 118.70 120.46 2hcc s GLU 25 Ca -0.05 0.39 -0.02 0.00 -0.15 0.00 0.00 54.97 55.14 2hcc s GLU 25 Cb -0.03 -2.96 0.03 0.00 -0.44 0.00 0.00 34.13 30.72 2hcc s GLU 25 CO 0.01 0.51 0.12 0.25 0.95 0.00 0.00 175.26 177.10 2hcc n THR 26 N 0.85 0.00 -3.70 1.83 -2.24 -0.50 -4.96 114.28 105.57 2hcc n THR 26 Ca -0.06 -0.07 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 2hcc n THR 26 Cb 0.52 -1.50 -0.06 0.00 -2.10 0.00 0.00 70.33 67.20 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 -1.62 6.56 0.00 3.42 0.01 -1.25 -4.89 113.70 115.93 2hcc s SER 27 Ca 0.07 0.66 0.14 0.00 1.31 0.00 0.00 55.95 58.13 2hcc s SER 27 Cb -0.00 -2.13 0.70 0.00 0.21 0.00 0.00 66.02 64.80 2hcc s SER 27 CO 0.05 0.27 1.34 -0.24 0.41 0.00 0.00 173.24 175.07 2hcc n SER 28 N 1.32 0.00 0.20 2.44 2.88 -1.26 -2.42 113.62 116.79 2hcc n SER 28 Ca -0.12 0.01 0.08 0.00 -1.33 0.00 0.00 58.87 57.50 2hcc n SER 28 Cb 0.53 -0.24 0.39 0.00 -0.75 0.00 0.00 64.21 64.14 2hcc n SER 28 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2hcc h GLU 29 N 0.00 0.00 -7.08 -1.46 4.22 -1.98 -3.44 114.58 104.84 2hcc h GLU 29 Ca 0.00 0.00 -0.49 0.00 0.08 0.00 0.00 59.36 58.95 2hcc h GLU 29 Cb 0.11 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.41 2hcc h GLU 29 CO 0.00 0.30 0.42 0.00 -2.18 0.00 0.00 179.01 177.55 2hcc n SER 31 N -1.16 0.26 -3.59 0.00 2.88 -1.26 -4.37 113.62 106.38 2hcc n SER 31 Ca 0.11 0.61 -0.09 0.00 -1.33 0.00 0.00 58.87 58.17 2hcc n SER 31 Cb 0.51 -0.65 -0.09 0.00 -0.75 0.00 0.00 64.21 63.23 2hcc n SER 31 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2hcc s LYS 32 N -3.23 0.31 0.26 -1.46 -2.85 -1.26 -5.16 119.74 106.36 2hcc s LYS 32 Ca 0.00 0.91 -0.04 0.00 -1.00 0.00 0.00 55.97 55.84 2hcc s LYS 32 Cb 0.04 0.14 0.06 0.00 -2.06 0.00 0.00 37.83 36.01 2hcc s LYS 32 CO 0.13 -0.34 0.25 -0.35 0.10 0.00 0.00 175.35 175.14 2hcc n PRO 33 N 5.38 -1.22 0.00 1.78 -0.04 -1.26 -4.49 135.00 135.15 2hcc n PRO 33 Ca -0.07 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 2hcc n PRO 33 Cb 0.50 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.61 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 1.37 3.78 3.36 0.55 0.00 -1.26 -4.60 105.19 108.39 2hcc n GLY 34 Ca 0.03 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 2hcc n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hcc s VAL 35 N -2.00 3.05 -0.14 1.61 0.11 -0.61 -1.41 120.40 121.01 2hcc s VAL 35 Ca 0.00 -0.66 -0.03 0.00 -2.93 0.00 0.00 61.98 58.36 2hcc s VAL 35 Cb 0.00 -2.29 -0.03 0.00 -1.53 0.00 0.00 36.38 32.53 2hcc s VAL 35 CO 0.00 0.52 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.62 2hcc s ILE 36 N 0.46 3.94 0.00 7.04 1.01 -0.60 -1.47 121.20 131.59 2hcc s ILE 36 Ca -0.09 -0.35 -0.18 0.00 0.00 0.00 0.00 60.65 60.03 2hcc s ILE 36 Cb -0.16 -2.71 -0.06 0.00 0.01 0.00 0.00 42.46 39.55 2hcc s ILE 36 CO 0.05 0.52 0.50 -0.36 0.00 0.00 0.00 174.94 175.64 2hcc s PHE 37 N 0.07 3.71 -0.24 3.97 0.40 -0.82 -1.87 117.98 123.21 2hcc s PHE 37 Ca -0.00 1.10 -0.13 0.00 -0.60 0.00 0.00 56.93 57.30 2hcc s PHE 37 Cb -0.13 -2.45 -0.04 0.00 0.51 0.00 0.00 43.02 40.90 2hcc s PHE 37 CO 0.03 0.51 0.28 -0.51 0.70 0.00 0.00 175.22 176.22 2hcc s LEU 38 N -0.68 4.10 0.16 -0.37 2.01 -0.20 -2.10 118.68 121.61 2hcc s LEU 38 Ca 0.27 0.25 -0.13 0.00 0.01 0.00 0.00 54.13 54.53 2hcc s LEU 38 Cb -0.18 -2.29 -0.07 0.00 0.01 0.00 0.00 46.19 43.66 2hcc s LEU 38 CO 0.15 -0.04 0.55 0.42 1.01 0.00 0.00 176.35 178.44 2hcc s THR 39 N 1.41 4.87 0.40 5.49 -4.23 -0.74 -1.10 115.64 121.75 2hcc s THR 39 Ca 0.12 0.75 0.17 0.00 -1.18 0.00 0.00 61.69 61.55 2hcc s THR 39 Cb -0.15 -3.71 0.18 0.00 1.34 0.00 0.00 72.50 70.16 2hcc s THR 39 CO 0.07 0.18 1.95 0.50 -0.54 0.00 0.00 174.62 176.78 2hcc h LYS 40 N 3.34 0.00 0.00 3.99 3.64 -1.89 -1.63 116.57 124.02 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 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2hcc h LYS 40 CO 0.66 0.24 0.00 1.63 -2.27 0.00 0.00 179.45 179.71 2hcc n LYS 41 N -4.06 0.22 -0.51 1.90 5.02 -1.26 -4.84 118.16 114.63 2hcc n LYS 41 Ca -0.02 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2hcc n LYS 41 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 2hcc n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hcc n GLY 42 N -0.04 0.83 3.54 0.72 0.00 -0.61 -5.12 105.19 104.50 2hcc n GLY 42 Ca 0.07 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.34 1.90 -0.09 1.61 6.06 -1.22 -4.97 118.95 119.91 2hcc s ARG 43 Ca 0.00 -1.66 -0.08 0.00 -2.50 0.00 0.00 55.73 51.50 2hcc s ARG 43 Cb 0.00 0.47 0.02 0.00 0.06 0.00 0.00 34.95 35.50 2hcc s ARG 43 CO 0.00 -0.80 0.23 1.14 -2.50 0.00 0.00 175.30 173.36 2hcc s GLN 44 N -3.08 0.26 0.07 5.12 -2.07 -1.26 -1.79 119.66 116.91 2hcc s GLN 44 Ca 0.28 0.33 0.10 0.00 -1.82 0.00 0.00 55.36 54.24 2hcc s GLN 44 Cb -0.01 0.11 -0.03 0.00 -1.09 0.00 0.00 33.01 31.99 2hcc s GLN 44 CO 0.18 -0.04 -0.26 0.08 -1.32 0.00 0.00 175.29 173.93 2hcc s VAL 45 N 0.19 2.12 -0.18 3.63 1.01 -0.89 -4.94 120.40 121.33 2hcc s VAL 45 Ca -0.01 -1.47 -0.08 0.00 0.00 0.00 0.00 61.98 60.43 2hcc s VAL 45 Cb -0.02 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2hcc s VAL 45 CO -0.00 0.27 0.07 0.00 0.00 0.00 0.00 175.10 175.44 2hcc s ALA 47 N 0.35 0.77 1.27 0.00 0.00 -0.54 -1.23 121.76 122.38 2hcc s ALA 47 Ca 0.04 -1.20 -0.20 0.00 0.00 0.00 0.00 51.96 50.60 2hcc s ALA 47 Cb -0.12 0.17 0.31 0.00 0.00 0.00 0.00 23.12 23.48 2hcc s ALA 47 CO -0.00 -0.23 1.04 0.15 0.00 0.00 0.00 175.76 176.72 2hcc s LYS 48 N -3.43 -1.74 0.13 0.00 3.01 -1.26 -1.57 119.74 114.88 2hcc s LYS 48 Ca 0.06 0.07 -0.07 0.00 -1.01 0.00 0.00 55.97 55.03 2hcc s LYS 48 Cb 0.03 -1.52 -0.08 0.00 -1.01 0.00 0.00 37.83 35.24 2hcc s LYS 48 CO -0.05 -4.08 1.33 -1.00 0.51 0.00 0.00 175.35 172.06 2hcc h PRO 49 N -2.85 0.55 -0.62 -1.68 0.13 -1.92 -3.34 132.00 122.27 2hcc h PRO 49 Ca -0.46 -0.51 -0.43 0.00 -0.87 0.00 0.00 66.00 63.73 2hcc h PRO 49 Cb 1.31 0.12 -0.41 0.00 0.13 0.00 0.00 31.00 32.16 2hcc h PRO 49 CO 0.34 1.14 -0.91 0.43 -0.23 0.00 0.00 178.00 178.77 2hcc n SER 50 N -3.84 3.73 -4.65 1.44 7.64 -1.26 -4.85 113.62 111.83 2hcc n SER 50 Ca -0.07 -3.18 -0.37 0.00 1.01 0.00 0.00 58.87 56.26 2hcc n SER 50 Cb 0.78 -0.39 0.06 0.00 -1.01 0.00 0.00 64.21 63.65 2hcc n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hcc n GLY 51 N -0.67 -0.05 3.56 0.23 0.00 -1.25 -4.83 105.19 102.18 2hcc n GLY 51 Ca 0.31 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2hcc n GLY 51 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hcc s PRO 52 N -2.99 2.81 0.00 1.61 0.04 -1.26 -2.03 135.00 133.18 2hcc s PRO 52 Ca 0.79 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2hcc s PRO 52 Cb -0.40 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 29.80 2hcc s PRO 52 CO 0.44 -2.50 0.00 0.41 0.04 0.00 0.00 177.00 175.39 2hcc n GLY 53 N 5.62 3.02 0.30 0.56 0.00 -1.26 -4.91 105.19 108.52 2hcc n GLY 53 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 1.24 -0.05 1.61 2.07 -1.76 -0.89 116.25 118.47 2hcc h VAL 54 Ca 0.00 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 66.73 2hcc h VAL 54 Cb 0.00 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2hcc h VAL 54 CO 0.00 0.28 -0.44 1.56 0.02 0.00 0.00 177.57 178.99 2hcc h GLN 55 N 0.98 0.11 -0.26 1.57 1.08 -1.89 -2.37 115.11 114.34 2hcc h GLN 55 Ca 0.24 -0.05 -0.12 0.00 -1.45 0.00 0.00 58.65 57.26 2hcc h GLN 55 Cb 0.14 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2hcc h GLN 55 CO -0.03 0.54 -0.35 0.22 -0.95 0.00 0.00 178.83 178.26 2hcc h ASP 56 N 0.09 0.58 -0.34 1.46 1.82 -1.71 -0.39 116.42 117.94 2hcc h ASP 56 Ca 0.01 -0.24 -0.06 0.00 -0.39 0.00 0.00 57.03 56.35 2hcc h ASP 56 Cb 0.82 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 2hcc h ASP 56 CO 0.06 0.89 -0.01 0.00 -1.61 0.00 0.00 179.24 178.57 2hcc h MET 58 N 0.41 0.00 -0.22 0.00 2.86 -1.30 -2.02 114.93 114.66 2hcc h MET 58 Ca 0.10 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 2hcc h MET 58 Cb 0.47 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2hcc h MET 58 CO 0.02 0.45 -0.03 -0.22 1.06 0.00 0.00 176.91 178.19 2hcc h LYS 59 N 0.00 0.42 0.00 1.72 1.63 -0.76 -2.57 116.57 117.01 2hcc h LYS 59 Ca -0.00 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.61 2hcc h LYS 59 Cb 0.84 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.44 2hcc h LYS 59 CO 0.06 0.64 -0.14 0.87 -3.45 0.00 0.00 179.45 177.43 2hcc h LYS 60 N 0.16 0.00 0.00 1.90 1.79 -1.24 -2.30 116.57 116.88 2hcc h LYS 60 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2hcc h LYS 60 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2hcc h LYS 60 CO 0.02 0.14 0.00 1.28 -1.08 0.00 0.00 179.45 179.81 2hcc n LEU 61 N -3.37 0.00 -4.11 2.94 4.32 -0.77 -4.52 117.00 111.49 2hcc n LEU 61 Ca -0.00 0.22 -0.33 0.00 -0.02 0.00 0.00 56.01 55.88 2hcc n LEU 61 Cb 0.34 -0.22 -0.14 0.00 -1.62 0.00 0.00 43.42 41.78 2hcc n LEU 61 CO 0.31 -0.05 -0.36 -0.75 -1.22 0.00 0.00 177.39 175.32 2hcc s LYS 62 N -2.45 2.15 -0.52 3.23 2.20 -0.87 -4.93 119.74 118.56 2hcc s LYS 62 Ca 0.26 -1.47 -0.28 0.00 -0.36 0.00 0.00 55.97 54.13 2hcc s LYS 62 Cb 0.16 -3.14 -0.00 0.00 -1.51 0.00 0.00 37.83 33.34 2hcc s LYS 62 CO 0.35 -0.71 1.58 -1.25 -0.36 0.00 0.00 175.35 174.96 2hcc s PRO 63 N 1.13 3.18 -0.34 4.03 0.04 -1.26 -4.79 135.00 136.99 2hcc s PRO 63 Ca -0.02 0.70 0.15 0.00 0.04 0.00 0.00 61.00 61.87 2hcc s PRO 63 Cb -0.20 -4.19 0.43 0.00 0.04 0.00 0.00 34.50 30.58 2hcc s PRO 63 CO -0.04 -2.07 1.27 0.98 0.04 0.00 0.00 177.00 177.18 2hcc n TYR 64 N 10.35 -0.87 -2.79 0.56 4.19 -1.26 -5.00 117.16 122.34 2hcc n TYR 64 Ca 0.16 -2.10 -0.42 0.00 3.31 0.00 0.00 57.90 58.85 2hcc n TYR 64 Cb 0.49 0.81 0.01 0.00 0.49 0.00 0.00 39.34 41.15 2hcc n TYR 64 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 2hcc n SER 65 N -0.74 6.87 0.00 2.98 2.88 -1.26 -5.27 113.62 119.09 2hcc n SER 65 Ca -0.03 -3.53 0.00 0.00 -1.33 0.00 0.00 58.87 53.99 2hcc n SER 65 Cb 0.84 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 2hcc n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81