#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 3.31 -0.22 4.41 2.19 -1.26 -4.90 117.98 121.51 2hcc s PHE 2 Ca 0.00 -2.97 0.18 0.00 0.33 0.00 0.00 56.93 54.47 2hcc s PHE 2 Cb 0.00 -2.99 0.06 0.00 -1.31 0.00 0.00 43.02 38.78 2hcc s PHE 2 CO 0.00 -0.79 1.25 0.00 1.83 0.00 0.00 175.22 177.50 2hcc h ALA 3 N 6.79 0.70 -0.30 11.12 0.00 -2.03 -3.44 119.26 132.10 2hcc h ALA 3 Ca -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2hcc h ALA 3 Cb 0.92 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2hcc h ALA 3 CO 0.69 0.45 0.00 0.00 0.00 0.00 0.00 179.25 180.39 2hcc n ALA 4 N -2.23 0.00 -3.15 0.00 0.00 -1.26 -3.95 120.51 109.91 2hcc n ALA 4 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2hcc n ALA 4 Cb 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.13 2hcc n ALA 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2hcc s ASP 5 N -4.00 -0.44 -0.02 0.00 2.15 -1.26 -5.15 116.67 107.95 2hcc s ASP 5 Ca 0.00 0.07 -0.18 0.00 0.43 0.00 0.00 52.55 52.87 2hcc s ASP 5 Cb 0.00 1.29 -0.05 0.00 -0.30 0.00 0.00 42.92 43.86 2hcc s ASP 5 CO 0.00 -0.08 0.52 0.00 -0.17 0.00 0.00 175.17 175.44 2hcc n THR 8 N 1.01 0.00 -3.80 0.00 -2.24 -1.26 -4.89 114.28 103.10 2hcc n THR 8 Ca -0.09 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.24 2hcc n THR 8 Cb 0.52 0.40 -0.15 0.00 -2.10 0.00 0.00 70.33 69.00 2hcc n THR 8 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2hcc s SER 9 N -3.71 0.04 0.70 3.42 0.01 -1.26 -5.16 113.70 107.75 2hcc s SER 9 Ca -0.02 0.04 -0.03 0.00 1.31 0.00 0.00 55.95 57.25 2hcc s SER 9 Cb 0.13 -0.04 0.10 0.00 0.21 0.00 0.00 66.02 66.42 2hcc s SER 9 CO 0.79 -0.10 0.98 -0.31 0.41 0.00 0.00 173.24 175.02 2hcc s TYR 10 N 0.80 2.08 1.01 2.43 2.02 -1.26 -4.56 117.35 119.86 2hcc s TYR 10 Ca -0.07 -0.05 -0.12 0.00 -0.37 0.00 0.00 57.07 56.46 2hcc s TYR 10 Cb -0.09 -3.08 0.19 0.00 -0.40 0.00 0.00 41.96 38.58 2hcc s TYR 10 CO -0.02 -1.57 1.08 0.96 -1.57 0.00 0.00 175.55 174.43 2hcc s ILE 11 N -3.15 2.21 -2.88 2.71 -0.00 -0.06 -4.92 121.20 115.12 2hcc s ILE 11 Ca 0.64 0.07 0.23 0.00 -0.00 0.00 0.00 60.65 61.59 2hcc s ILE 11 Cb -0.07 -2.45 0.18 0.00 -0.00 0.00 0.00 42.46 40.11 2hcc s ILE 11 CO 0.44 -0.09 1.23 -1.54 -0.00 0.00 0.00 174.94 174.98 2hcc n SER 12 N -4.26 2.90 -0.91 4.36 3.41 -1.26 -4.99 113.62 112.87 2hcc n SER 12 Ca 0.05 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 2hcc n SER 12 Cb 0.56 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 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 1.26 0.00 -1.77 4.33 10.64 -1.26 -5.14 117.38 125.45 2hcc n GLN 13 Ca 0.13 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.93 2hcc n GLN 13 Cb 0.58 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 30.02 2hcc n GLN 13 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2hcc s SER 14 N -0.77 4.66 0.19 2.61 0.15 -1.26 -4.92 113.70 114.36 2hcc s SER 14 Ca 0.00 2.61 -0.30 0.00 0.70 0.00 0.00 55.95 58.96 2hcc s SER 14 Cb 0.00 -2.62 -0.08 0.00 -1.71 0.00 0.00 66.02 61.61 2hcc s SER 14 CO 0.00 -1.97 1.25 -0.63 1.20 0.00 0.00 173.24 173.09 2hcc s ILE 15 N -1.40 3.42 -1.28 6.45 -1.09 -1.26 -4.91 121.20 121.13 2hcc s ILE 15 Ca 0.82 1.18 -0.16 0.00 -2.23 0.00 0.00 60.65 60.26 2hcc s ILE 15 Cb -0.37 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 36.75 2hcc s ILE 15 CO 0.39 0.18 2.12 -0.81 -1.23 0.00 0.00 174.94 175.60 2hcc n PRO 16 N 2.59 2.53 0.16 2.79 -0.04 -1.26 -4.70 135.00 137.07 2hcc n PRO 16 Ca 0.05 -2.47 0.12 0.00 -0.04 0.00 0.00 63.50 61.17 2hcc n PRO 16 Cb 0.44 -3.23 0.58 0.00 -0.04 0.00 0.00 33.50 31.25 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 -2.31 0.00 0.00 0.00 7.64 -1.26 -2.42 113.62 115.27 2hcc n SER 18 Ca 0.00 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2hcc n SER 18 Cb 0.12 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2hcc n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hcc n LEU 19 N -1.27 0.00 -4.76 -3.43 -0.00 -0.94 -5.07 117.00 101.53 2hcc n LEU 19 Ca 0.03 -0.01 -0.38 0.00 -0.00 0.00 0.00 56.01 55.65 2hcc n LEU 19 Cb 0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.40 2hcc n LEU 19 CO 0.05 0.02 0.13 -0.04 -0.00 0.00 0.00 177.39 177.54 2hcc s MET 20 N 0.00 4.20 -0.12 1.47 1.00 -1.02 -3.15 119.30 121.68 2hcc s MET 20 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 55.69 56.11 2hcc s MET 20 Cb 0.00 -3.36 -0.24 0.00 0.00 0.00 0.00 34.83 31.23 2hcc s MET 20 CO 0.00 0.35 0.35 1.17 0.00 0.00 0.00 175.02 176.89 2hcc n LYS 21 N 3.02 0.70 -3.57 2.03 3.00 -0.13 -4.86 118.16 118.35 2hcc n LYS 21 Ca -0.10 0.24 -0.02 0.00 -0.00 0.00 0.00 58.31 58.43 2hcc n LYS 21 Cb 0.52 -1.69 -0.05 0.00 0.00 0.00 0.00 35.03 33.80 2hcc n LYS 21 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2hcc s SER 22 N -6.59 -0.81 0.50 3.14 0.15 -1.07 -5.02 113.70 104.00 2hcc s SER 22 Ca -0.18 1.17 0.02 0.00 0.70 0.00 0.00 55.95 57.66 2hcc s SER 22 Cb 0.07 1.73 0.02 0.00 -1.71 0.00 0.00 66.02 66.13 2hcc s SER 22 CO 0.77 -0.17 0.70 -0.72 1.20 0.00 0.00 173.24 175.02 2hcc s TYR 23 N 2.23 2.94 -0.04 3.44 -0.85 -1.26 -1.42 117.35 122.39 2hcc s TYR 23 Ca -0.06 -0.04 -0.14 0.00 -0.52 0.00 0.00 57.07 56.31 2hcc s TYR 23 Cb -0.07 -2.56 0.03 0.00 0.38 0.00 0.00 41.96 39.73 2hcc s TYR 23 CO -0.18 -0.65 0.32 -0.59 -1.52 0.00 0.00 175.55 172.93 2hcc s PHE 24 N -2.62 -0.23 0.08 -3.49 -0.12 -0.52 -4.88 117.98 106.20 2hcc s PHE 24 Ca 0.54 0.42 -0.17 0.00 -0.05 0.00 0.00 56.93 57.67 2hcc s PHE 24 Cb -0.10 0.10 -0.07 0.00 -0.63 0.00 0.00 43.02 42.33 2hcc s PHE 24 CO 0.37 -0.34 0.54 -1.21 -0.05 0.00 0.00 175.22 174.52 2hcc s GLU 25 N -0.97 4.09 0.78 1.99 2.02 -1.26 -1.62 118.70 123.73 2hcc s GLU 25 Ca -0.10 0.61 -0.13 0.00 0.02 0.00 0.00 54.97 55.36 2hcc s GLU 25 Cb -0.05 -3.15 0.19 0.00 0.10 0.00 0.00 34.13 31.23 2hcc s GLU 25 CO 0.03 0.60 0.89 0.25 0.02 0.00 0.00 175.26 177.06 2hcc n THR 26 N 1.47 0.00 -3.67 3.63 -2.24 -0.43 -4.95 114.28 108.08 2hcc n THR 26 Ca -0.09 -0.56 -0.35 0.00 -2.27 0.00 0.00 64.05 60.77 2hcc n THR 26 Cb 0.51 -1.45 -0.05 0.00 -2.10 0.00 0.00 70.33 67.24 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 -4.17 6.58 0.00 3.42 0.01 -1.26 -4.84 113.70 113.44 2hcc s SER 27 Ca 0.53 0.68 0.13 0.00 1.31 0.00 0.00 55.95 58.61 2hcc s SER 27 Cb -0.03 -2.14 0.69 0.00 0.21 0.00 0.00 66.02 64.75 2hcc s SER 27 CO 0.39 0.25 1.32 -0.24 0.41 0.00 0.00 173.24 175.37 2hcc n SER 28 N 1.22 0.00 0.22 2.44 2.88 -1.26 -2.44 113.62 116.68 2hcc n SER 28 Ca -0.11 0.02 0.10 0.00 -1.33 0.00 0.00 58.87 57.55 2hcc n SER 28 Cb 0.53 -0.24 0.40 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 -7.16 -1.46 4.22 -1.94 -3.45 114.58 104.79 2hcc h GLU 29 Ca 0.00 0.00 -0.50 0.00 0.08 0.00 0.00 59.36 58.94 2hcc h GLU 29 Cb 0.11 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.43 2hcc h GLU 29 CO 0.00 0.22 0.39 0.00 -2.18 0.00 0.00 179.01 177.44 2hcc n SER 31 N -1.91 0.31 -3.48 0.00 2.88 -1.26 -4.34 113.62 105.81 2hcc n SER 31 Ca 0.10 0.63 -0.07 0.00 -1.33 0.00 0.00 58.87 58.20 2hcc n SER 31 Cb 0.52 -0.68 -0.08 0.00 -0.75 0.00 0.00 64.21 63.23 2hcc n SER 31 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2hcc s LYS 32 N -3.27 0.37 1.11 -1.46 2.20 -1.26 -5.16 119.74 112.27 2hcc s LYS 32 Ca -0.00 0.84 -0.19 0.00 -0.36 0.00 0.00 55.97 56.26 2hcc s LYS 32 Cb 0.04 0.04 0.27 0.00 -1.51 0.00 0.00 37.83 36.67 2hcc s LYS 32 CO 0.14 -0.45 1.06 -0.35 -0.36 0.00 0.00 175.35 175.40 2hcc n PRO 33 N 5.39 -2.71 0.00 4.03 -0.04 -1.26 -4.54 135.00 135.87 2hcc n PRO 33 Ca -0.06 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 2hcc n PRO 33 Cb 0.50 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -4.10 3.71 3.42 0.55 0.00 -1.26 -4.73 105.19 102.77 2hcc n GLY 34 Ca 0.14 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 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 3.67 -0.17 1.61 0.11 -0.36 -1.31 120.40 121.95 2hcc s VAL 35 Ca 0.00 -0.42 -0.07 0.00 -2.93 0.00 0.00 61.98 58.56 2hcc s VAL 35 Cb 0.00 -2.63 -0.04 0.00 -1.53 0.00 0.00 36.38 32.17 2hcc s VAL 35 CO 0.00 0.46 0.08 -0.63 -3.33 0.00 0.00 175.10 171.68 2hcc s ILE 36 N 0.86 4.95 -0.03 7.04 1.01 -0.64 -1.49 121.20 132.90 2hcc s ILE 36 Ca -0.01 0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.48 2hcc s ILE 36 Cb -0.15 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 2hcc s ILE 36 CO 0.01 0.49 0.52 -0.36 0.00 0.00 0.00 174.94 175.60 2hcc s PHE 37 N 0.10 3.65 -0.26 3.97 0.40 -0.85 -1.44 117.98 123.54 2hcc s PHE 37 Ca 0.06 1.06 -0.12 0.00 -0.60 0.00 0.00 56.93 57.33 2hcc s PHE 37 Cb -0.12 -2.52 -0.05 0.00 0.51 0.00 0.00 43.02 40.85 2hcc s PHE 37 CO 0.00 0.37 0.25 -0.51 0.70 0.00 0.00 175.22 176.04 2hcc s LEU 38 N -0.19 4.05 0.19 -0.37 1.43 -0.51 -1.69 118.68 121.59 2hcc s LEU 38 Ca 0.28 0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.39 2hcc s LEU 38 Cb -0.17 -2.23 -0.07 0.00 0.03 0.00 0.00 46.19 43.75 2hcc s LEU 38 CO 0.14 -0.07 0.57 0.42 0.23 0.00 0.00 176.35 177.65 2hcc s THR 39 N 1.67 4.86 0.38 5.49 -4.23 -0.72 -0.96 115.64 122.13 2hcc s THR 39 Ca 0.10 0.73 0.24 0.00 -1.18 0.00 0.00 61.69 61.59 2hcc s THR 39 Cb -0.15 -3.69 0.25 0.00 1.34 0.00 0.00 72.50 70.25 2hcc s THR 39 CO 0.09 0.11 2.01 0.50 -0.54 0.00 0.00 174.62 176.79 2hcc h LYS 40 N 3.12 0.00 0.00 3.99 3.64 -1.87 -1.61 116.57 123.84 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 0.17 0.00 1.17 -2.27 0.00 0.00 179.45 179.18 2hcc n LYS 41 N -3.73 0.08 -0.35 1.90 0.00 -1.26 -4.85 118.16 109.94 2hcc n LYS 41 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 58.31 58.50 2hcc n LYS 41 Cb 0.28 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.81 2hcc n LYS 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hcc n GLY 42 N 0.06 0.91 3.53 3.14 0.00 -0.61 -5.13 105.19 107.10 2hcc n GLY 42 Ca 0.05 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.24 1.88 -0.11 1.61 3.52 -1.23 -4.97 118.95 117.42 2hcc s ARG 43 Ca 0.00 -1.65 -0.07 0.00 -0.13 0.00 0.00 55.73 53.88 2hcc s ARG 43 Cb 0.00 0.47 0.04 0.00 -1.56 0.00 0.00 34.95 33.89 2hcc s ARG 43 CO 0.00 -0.79 0.26 -0.65 -0.81 0.00 0.00 175.30 173.31 2hcc s GLN 44 N -3.13 0.26 0.13 5.12 -0.21 -1.26 -1.75 119.66 118.81 2hcc s GLN 44 Ca 0.28 0.48 0.05 0.00 0.02 0.00 0.00 55.36 56.19 2hcc s GLN 44 Cb -0.01 -0.01 -0.04 0.00 1.00 0.00 0.00 33.01 33.95 2hcc s GLN 44 CO 0.17 -0.11 0.06 0.08 -2.12 0.00 0.00 175.29 173.37 2hcc s VAL 45 N 0.84 4.20 -0.18 1.09 1.01 -0.68 -4.90 120.40 121.78 2hcc s VAL 45 Ca -0.06 -1.06 -0.06 0.00 0.00 0.00 0.00 61.98 60.80 2hcc s VAL 45 Cb -0.07 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2hcc s VAL 45 CO -0.05 0.00 0.02 0.00 0.00 0.00 0.00 175.10 175.06 2hcc s ALA 47 N 0.50 1.02 1.06 0.00 0.00 -0.55 -0.88 121.76 122.91 2hcc s ALA 47 Ca 0.00 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 2hcc s ALA 47 Cb -0.13 0.05 0.22 0.00 0.00 0.00 0.00 23.12 23.25 2hcc s ALA 47 CO 0.02 -0.06 1.10 1.63 0.00 0.00 0.00 175.76 178.45 2hcc n LYS 48 N 0.60 -1.64 0.09 0.00 5.02 -1.26 -1.23 118.16 119.74 2hcc n LYS 48 Ca -0.16 -1.72 -0.04 0.00 -2.02 0.00 0.00 58.31 54.36 2hcc n LYS 48 Cb 0.58 -1.27 0.15 0.00 -0.02 0.00 0.00 35.03 34.47 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 0.00 0.22 -0.57 1.97 0.13 -1.93 -3.35 132.00 128.47 2hcc h PRO 49 Ca -0.37 -0.14 -0.27 0.00 -0.87 0.00 0.00 66.00 64.34 2hcc h PRO 49 Cb 1.05 0.02 -0.38 0.00 0.13 0.00 0.00 31.00 31.82 2hcc h PRO 49 CO 0.26 0.72 -1.07 0.43 -0.23 0.00 0.00 178.00 178.11 2hcc n SER 50 N -3.91 1.22 -4.77 1.44 7.64 -1.26 -4.93 113.62 109.05 2hcc n SER 50 Ca -0.02 -2.27 -0.36 0.00 1.01 0.00 0.00 58.87 57.23 2hcc n SER 50 Cb 0.58 -0.37 -0.01 0.00 -1.01 0.00 0.00 64.21 63.40 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 -3.33 2.72 -0.43 0.23 0.00 -1.26 -4.91 107.32 100.34 2hcc s GLY 51 Ca 0.26 0.87 -0.27 0.00 0.00 0.00 0.00 44.72 45.57 2hcc s GLY 51 CO -0.02 1.29 1.92 2.56 0.00 0.00 0.00 173.10 178.85 2hcc s PRO 52 N -2.87 2.94 0.00 2.90 0.04 -1.26 -2.09 135.00 134.65 2hcc s PRO 52 Ca 0.66 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2hcc s PRO 52 Cb -0.26 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 29.96 2hcc s PRO 52 CO 0.31 -2.34 0.00 0.41 0.04 0.00 0.00 177.00 175.43 2hcc n GLY 53 N 5.61 1.65 0.23 0.56 0.00 -1.26 -4.67 105.19 107.31 2hcc n GLY 53 Ca 0.24 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 1.25 -0.35 1.61 2.07 -1.80 -0.64 116.25 118.39 2hcc h VAL 54 Ca 0.00 -0.94 -0.12 0.00 0.82 0.00 0.00 66.70 66.46 2hcc h VAL 54 Cb 0.00 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2hcc h VAL 54 CO 0.00 0.33 -0.25 -0.61 0.02 0.00 0.00 177.57 177.06 2hcc h GLN 55 N 0.62 0.71 -0.22 1.57 5.75 -1.92 -1.73 115.11 119.90 2hcc h GLN 55 Ca 0.14 -0.29 -0.08 0.00 -0.15 0.00 0.00 58.65 58.26 2hcc h GLN 55 Cb 0.41 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 2hcc h GLN 55 CO 0.01 0.89 -0.20 -0.44 -2.65 0.00 0.00 178.83 176.44 2hcc h ASP 56 N 0.62 0.39 -0.16 -0.69 5.19 -1.83 -0.33 116.42 119.61 2hcc h ASP 56 Ca 0.08 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.35 2hcc h ASP 56 Cb 0.75 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.15 2hcc h ASP 56 CO 0.06 0.60 -0.04 0.00 -3.12 0.00 0.00 179.24 176.75 2hcc h MET 58 N 0.01 0.00 -0.12 0.00 2.86 -1.06 -2.19 114.93 114.43 2hcc h MET 58 Ca 0.04 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2hcc h MET 58 Cb 0.46 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 2hcc h MET 58 CO 0.02 0.14 -0.00 -0.22 1.06 0.00 0.00 176.91 177.90 2hcc h LYS 59 N 0.00 0.21 0.00 1.72 1.63 -0.65 -2.49 116.57 116.99 2hcc h LYS 59 Ca -0.00 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 2hcc h LYS 59 Cb 0.39 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2hcc h LYS 59 CO 0.02 0.45 -0.09 -0.22 -3.45 0.00 0.00 179.45 176.16 2hcc h LYS 60 N -0.06 0.00 0.00 1.90 1.63 -1.13 -1.96 116.57 116.94 2hcc h LYS 60 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2hcc h LYS 60 Cb 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2hcc h LYS 60 CO 0.01 0.09 0.00 -0.11 -3.45 0.00 0.00 179.45 175.98 2hcc n LEU 61 N -3.28 0.00 -3.17 5.20 -0.00 -0.86 -4.30 117.00 110.59 2hcc n LEU 61 Ca -0.00 0.33 0.00 0.00 -0.00 0.00 0.00 56.01 56.34 2hcc n LEU 61 Cb 0.30 -0.33 -0.01 0.00 -0.00 0.00 0.00 43.42 43.38 2hcc n LEU 61 CO 0.29 -0.12 0.09 -0.75 -0.00 0.00 0.00 177.39 176.90 2hcc s LYS 62 N -2.66 0.84 -0.52 1.96 2.20 -0.74 -5.01 119.74 115.81 2hcc s LYS 62 Ca 0.16 -0.34 -0.28 0.00 -0.36 0.00 0.00 55.97 55.16 2hcc s LYS 62 Cb 0.13 0.08 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 2hcc s LYS 62 CO 0.31 -1.20 1.66 -1.25 -0.36 0.00 0.00 175.35 174.50 2hcc s PRO 63 N 1.76 3.08 0.00 4.03 0.04 -1.24 -4.72 135.00 137.94 2hcc s PRO 63 Ca 0.17 0.74 0.10 0.00 0.04 0.00 0.00 61.00 62.05 2hcc s PRO 63 Cb -0.04 -4.23 0.17 0.00 0.04 0.00 0.00 34.50 30.44 2hcc s PRO 63 CO -0.07 -2.19 1.00 0.66 0.04 0.00 0.00 177.00 176.44 2hcc n TYR 64 N 10.83 0.00 -2.53 0.56 4.01 -1.26 -5.09 117.16 123.67 2hcc n TYR 64 Ca 0.18 -0.33 -0.04 0.00 -0.16 0.00 0.00 57.90 57.55 2hcc n TYR 64 Cb 0.50 0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.59 2hcc n TYR 64 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2hcc n SER 65 N 0.20 -3.40 0.00 7.72 7.64 -1.26 -5.29 113.62 119.23 2hcc n SER 65 Ca -0.05 1.52 0.00 0.00 1.01 0.00 0.00 58.87 61.35 2hcc n SER 65 Cb 0.85 -5.19 0.00 0.00 -1.01 0.00 0.00 64.21 58.86 2hcc n SER 65 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65