#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 3.26 -0.14 4.41 2.19 -1.26 -5.01 117.98 121.42 2hcc s PHE 2 Ca 0.00 1.61 -0.34 0.00 0.33 0.00 0.00 56.93 58.53 2hcc s PHE 2 Cb 0.00 -3.30 0.15 0.00 -1.31 0.00 0.00 43.02 38.56 2hcc s PHE 2 CO 0.00 -0.94 1.38 0.00 1.83 0.00 0.00 175.22 177.49 2hcc s ALA 3 N -1.41 -2.34 -0.04 11.12 0.00 -1.26 -5.17 121.76 122.66 2hcc s ALA 3 Ca 0.54 1.24 -0.03 0.00 0.00 0.00 0.00 51.96 53.71 2hcc s ALA 3 Cb -0.29 0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.89 2hcc s ALA 3 CO 0.36 -0.87 0.11 0.00 0.00 0.00 0.00 175.76 175.36 2hcc s ALA 4 N -2.14 -0.23 -0.41 0.00 0.00 -1.26 -5.11 121.76 112.62 2hcc s ALA 4 Ca 0.13 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.53 2hcc s ALA 4 Cb 0.04 -0.25 0.17 0.00 0.00 0.00 0.00 23.12 23.08 2hcc s ALA 4 CO -0.05 -0.08 0.46 -0.51 0.00 0.00 0.00 175.76 175.58 2hcc s ASP 5 N 0.44 0.46 0.41 0.00 1.01 -1.26 -5.14 116.67 112.58 2hcc s ASP 5 Ca -0.03 -1.75 -0.03 0.00 0.71 0.00 0.00 52.55 51.45 2hcc s ASP 5 Cb -0.05 0.79 -0.04 0.00 1.01 0.00 0.00 42.92 44.64 2hcc s ASP 5 CO -0.02 -0.20 0.67 0.00 0.21 0.00 0.00 175.17 175.83 2hcc n THR 8 N 2.18 0.03 -3.65 0.00 -2.24 -1.26 -4.59 114.28 104.75 2hcc n THR 8 Ca -0.11 -0.51 -0.01 0.00 -2.27 0.00 0.00 64.05 61.15 2hcc n THR 8 Cb 0.51 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 69.75 2hcc n THR 8 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2hcc s SER 9 N -0.38 -0.20 0.41 3.42 1.04 -1.26 -5.15 113.70 111.59 2hcc s SER 9 Ca 0.05 0.34 -0.04 0.00 0.48 0.00 0.00 55.95 56.78 2hcc s SER 9 Cb 0.04 0.83 -0.04 0.00 0.10 0.00 0.00 66.02 66.95 2hcc s SER 9 CO 0.05 -0.05 0.69 -0.31 0.98 0.00 0.00 173.24 174.60 2hcc s TYR 10 N 0.79 3.53 1.09 5.02 2.02 -1.26 -4.45 117.35 124.08 2hcc s TYR 10 Ca -0.04 0.66 -0.17 0.00 -0.37 0.00 0.00 57.07 57.16 2hcc s TYR 10 Cb -0.03 -2.16 0.16 0.00 -0.40 0.00 0.00 41.96 39.52 2hcc s TYR 10 CO -0.12 -0.09 0.22 0.44 -1.57 0.00 0.00 175.55 174.43 2hcc n ILE 11 N -1.91 0.00 0.29 2.71 -0.00 -0.35 -4.90 119.36 115.19 2hcc n ILE 11 Ca -0.01 -0.13 0.09 0.00 -0.00 0.00 0.00 62.75 62.70 2hcc n ILE 11 Cb 0.55 -0.57 0.16 0.00 -0.00 0.00 0.00 39.64 39.78 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 -1.76 2.99 -2.33 7.28 3.41 -1.26 -5.01 113.62 116.94 2hcc n SER 12 Ca 0.04 -1.87 -0.07 0.00 -0.26 0.00 0.00 58.87 56.71 2hcc n SER 12 Cb 0.48 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 64.28 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 1.11 0.82 -1.58 4.33 10.64 -1.26 -5.13 117.38 126.30 2hcc n GLN 13 Ca 0.15 -1.68 -0.45 0.00 -1.83 0.00 0.00 57.00 53.19 2hcc n GLN 13 Cb 0.50 2.05 -0.02 0.00 -0.86 0.00 0.00 30.24 31.91 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 -1.42 1.19 -4.75 2.61 3.41 -1.26 -4.88 113.62 108.52 2hcc n SER 14 Ca -0.06 1.18 -0.41 0.00 -0.26 0.00 0.00 58.87 59.32 2hcc n SER 14 Cb 0.44 -1.28 -0.04 0.00 -0.26 0.00 0.00 64.21 63.08 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 -1.06 3.47 -1.05 -1.33 -1.09 -1.26 -4.94 121.20 113.94 2hcc s ILE 15 Ca 0.59 1.34 -0.22 0.00 -2.23 0.00 0.00 60.65 60.12 2hcc s ILE 15 Cb -0.71 -3.85 0.04 0.00 -1.58 0.00 0.00 42.46 36.36 2hcc s ILE 15 CO 0.60 0.26 1.53 -2.16 -1.23 0.00 0.00 174.94 173.94 2hcc s PRO 16 N -0.83 3.56 0.43 2.79 0.04 -1.26 -4.81 135.00 134.91 2hcc s PRO 16 Ca 0.49 -1.18 0.10 0.00 0.04 0.00 0.00 61.00 60.45 2hcc s PRO 16 Cb -0.33 -5.36 0.93 0.00 0.04 0.00 0.00 34.50 29.78 2hcc s PRO 16 CO 0.40 -2.32 2.04 0.00 0.04 0.00 0.00 177.00 177.16 2hcc h SER 18 N 0.35 0.00 -0.55 0.00 0.87 -1.97 -2.55 113.55 109.71 2hcc h SER 18 Ca 0.09 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 2hcc h SER 18 Cb 0.07 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.97 2hcc h SER 18 CO -0.01 0.00 0.12 -0.11 -0.53 0.00 0.00 176.83 176.30 2hcc n LEU 19 N -2.94 5.14 -3.80 2.23 7.94 -0.08 -4.88 117.00 120.61 2hcc n LEU 19 Ca 0.01 -2.64 -0.13 0.00 -1.11 0.00 0.00 56.01 52.13 2hcc n LEU 19 Cb 0.29 -0.68 -0.14 0.00 0.53 0.00 0.00 43.42 43.41 2hcc n LEU 19 CO 0.26 0.65 -0.29 -0.04 -1.11 0.00 0.00 177.39 176.86 2hcc s MET 20 N -2.49 0.05 0.05 1.96 1.00 -0.96 -4.35 119.30 114.56 2hcc s MET 20 Ca 0.45 0.18 0.20 0.00 0.00 0.00 0.00 55.69 56.53 2hcc s MET 20 Cb 0.35 -0.08 -0.16 0.00 0.00 0.00 0.00 34.83 34.93 2hcc s MET 20 CO 0.12 -0.09 0.72 0.36 0.00 0.00 0.00 175.02 176.13 2hcc n LYS 21 N 3.60 0.63 -3.98 2.03 2.85 -0.28 -4.88 118.16 118.14 2hcc n LYS 21 Ca -0.19 0.04 -0.13 0.00 -1.05 0.00 0.00 58.31 56.98 2hcc n LYS 21 Cb 0.55 -1.70 -0.02 0.00 -0.65 0.00 0.00 35.03 33.22 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 -5.25 0.59 -0.00 -5.58 0.15 -1.08 -4.93 113.70 97.60 2hcc s SER 22 Ca -0.04 -1.36 -0.15 0.00 0.70 0.00 0.00 55.95 55.10 2hcc s SER 22 Cb 0.10 0.74 0.02 0.00 -1.71 0.00 0.00 66.02 65.17 2hcc s SER 22 CO 0.83 -1.45 0.32 -0.72 1.20 0.00 0.00 173.24 173.43 2hcc s TYR 23 N -2.77 -0.18 -0.08 3.44 -0.85 -1.26 -1.20 117.35 114.45 2hcc s TYR 23 Ca 0.25 0.22 -0.12 0.00 -0.52 0.00 0.00 57.07 56.90 2hcc s TYR 23 Cb -0.02 0.11 0.03 0.00 0.38 0.00 0.00 41.96 42.45 2hcc s TYR 23 CO 0.17 -0.43 0.31 -0.59 -1.52 0.00 0.00 175.55 173.49 2hcc s PHE 24 N -1.62 -0.28 0.04 -3.49 -0.12 -0.62 -4.94 117.98 106.96 2hcc s PHE 24 Ca -0.11 0.62 -0.18 0.00 -0.05 0.00 0.00 56.93 57.20 2hcc s PHE 24 Cb -0.04 0.10 -0.06 0.00 -0.63 0.00 0.00 43.02 42.39 2hcc s PHE 24 CO 0.03 -0.25 0.53 -1.21 -0.05 0.00 0.00 175.22 174.27 2hcc s GLU 25 N -0.39 4.16 1.02 1.99 2.02 -1.26 -1.30 118.70 124.94 2hcc s GLU 25 Ca -0.05 0.65 -0.13 0.00 0.02 0.00 0.00 54.97 55.45 2hcc s GLU 25 Cb -0.03 -3.26 0.20 0.00 0.10 0.00 0.00 34.13 31.14 2hcc s GLU 25 CO 0.02 0.60 1.11 0.95 0.02 0.00 0.00 175.26 177.95 2hcc s THR 26 N -0.91 1.94 0.36 3.63 -4.23 -0.72 -4.96 115.64 110.75 2hcc s THR 26 Ca 0.28 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.54 2hcc s THR 26 Cb -0.18 -2.55 -0.10 0.00 1.34 0.00 0.00 72.50 71.01 2hcc s THR 26 CO 0.17 0.00 0.98 -0.44 -0.54 0.00 0.00 174.62 174.79 2hcc s SER 27 N -3.65 7.11 0.00 3.99 0.01 -1.26 -4.78 113.70 115.11 2hcc s SER 27 Ca 0.66 1.87 0.11 0.00 1.31 0.00 0.00 55.95 59.90 2hcc s SER 27 Cb -0.16 -2.57 0.53 0.00 0.21 0.00 0.00 66.02 64.03 2hcc s SER 27 CO 0.57 -0.23 1.32 -1.20 0.41 0.00 0.00 173.24 174.10 2hcc n SER 28 N 0.18 0.00 0.25 2.44 7.64 -1.26 -2.08 113.62 120.79 2hcc n SER 28 Ca 0.04 0.31 0.14 0.00 1.01 0.00 0.00 58.87 60.37 2hcc n SER 28 Cb 0.51 -0.39 0.46 0.00 -1.01 0.00 0.00 64.21 63.78 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 -6.95 1.43 4.81 -2.00 -3.45 114.58 108.43 2hcc h GLU 29 Ca 0.00 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.72 2hcc h GLU 29 Cb 0.15 0.00 0.05 0.00 0.63 0.00 0.00 28.75 29.58 2hcc h GLU 29 CO 0.00 0.05 0.50 0.00 -0.73 0.00 0.00 179.01 178.84 2hcc n SER 31 N 0.03 0.40 -3.32 0.00 7.64 -1.26 -4.10 113.62 113.01 2hcc n SER 31 Ca 0.04 0.68 -0.10 0.00 1.01 0.00 0.00 58.87 60.50 2hcc n SER 31 Cb 0.47 -0.73 -0.07 0.00 -1.01 0.00 0.00 64.21 62.87 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 -3.37 0.39 0.43 1.43 2.20 -1.26 -5.15 119.74 114.41 2hcc s LYS 32 Ca -0.01 0.15 -0.07 0.00 -0.36 0.00 0.00 55.97 55.67 2hcc s LYS 32 Cb 0.05 -0.37 0.10 0.00 -1.51 0.00 0.00 37.83 36.10 2hcc s LYS 32 CO 0.16 -0.98 0.43 -0.35 -0.36 0.00 0.00 175.35 174.25 2hcc n PRO 33 N 5.35 -1.40 0.00 4.03 -0.04 -1.26 -3.21 135.00 138.47 2hcc n PRO 33 Ca -0.00 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.78 2hcc n PRO 33 Cb 0.49 -0.57 0.00 0.00 -0.04 0.00 0.00 33.50 33.38 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 0.40 3.02 3.55 0.55 0.00 -1.26 -4.51 105.19 106.94 2hcc n GLY 34 Ca 0.06 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 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 5.02 -0.22 1.61 1.01 -0.32 -1.76 120.40 123.74 2hcc s VAL 35 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 2hcc s VAL 35 Cb 0.00 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 2hcc s VAL 35 CO 0.00 0.27 0.12 -0.63 0.00 0.00 0.00 175.10 174.86 2hcc s ILE 36 N 1.72 5.14 -0.02 2.22 1.01 -0.42 -0.93 121.20 129.92 2hcc s ILE 36 Ca 0.07 0.10 -0.17 0.00 0.00 0.00 0.00 60.65 60.65 2hcc s ILE 36 Cb -0.16 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 2hcc s ILE 36 CO 0.09 0.39 0.46 -0.36 0.00 0.00 0.00 174.94 175.52 2hcc s PHE 37 N 0.79 3.68 -0.24 3.97 0.40 -0.84 -1.58 117.98 124.16 2hcc s PHE 37 Ca 0.06 1.02 -0.13 0.00 -0.60 0.00 0.00 56.93 57.28 2hcc s PHE 37 Cb -0.13 -2.41 -0.04 0.00 0.51 0.00 0.00 43.02 40.95 2hcc s PHE 37 CO 0.02 0.49 0.29 -1.17 0.70 0.00 0.00 175.22 175.55 2hcc s LEU 38 N -0.59 4.09 0.20 -0.37 2.96 -0.34 -1.98 118.68 122.66 2hcc s LEU 38 Ca 0.25 0.26 -0.12 0.00 -0.22 0.00 0.00 54.13 54.30 2hcc s LEU 38 Cb -0.17 -2.31 -0.07 0.00 0.50 0.00 0.00 46.19 44.14 2hcc s LEU 38 CO 0.14 -0.06 0.57 0.42 -1.32 0.00 0.00 176.35 176.10 2hcc s THR 39 N 1.49 4.87 0.42 3.68 -4.23 -0.74 -1.12 115.64 120.01 2hcc s THR 39 Ca 0.13 0.69 0.14 0.00 -1.18 0.00 0.00 61.69 61.47 2hcc s THR 39 Cb -0.15 -3.67 0.15 0.00 1.34 0.00 0.00 72.50 70.18 2hcc s THR 39 CO 0.08 0.05 1.94 0.50 -0.54 0.00 0.00 174.62 176.65 2hcc h LYS 40 N 2.95 0.00 0.00 3.99 1.63 -1.90 -1.58 116.57 121.66 2hcc h LYS 40 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2hcc h LYS 40 Cb 1.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2hcc h LYS 40 CO 0.67 0.25 0.00 1.17 -3.45 0.00 0.00 179.45 178.09 2hcc n LYS 41 N -4.21 0.17 -0.48 1.90 3.00 -1.26 -4.85 118.16 112.43 2hcc n LYS 41 Ca -0.02 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 2hcc n LYS 41 Cb 0.30 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.83 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 0.00 0.72 3.54 3.14 0.00 -0.60 -5.13 105.19 106.87 2hcc n GLY 42 Ca 0.06 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.32 1.85 -0.10 1.61 3.52 -1.23 -4.97 118.95 117.32 2hcc s ARG 43 Ca 0.00 -1.61 -0.06 0.00 -0.13 0.00 0.00 55.73 53.93 2hcc s ARG 43 Cb 0.00 0.47 0.04 0.00 -1.56 0.00 0.00 34.95 33.90 2hcc s ARG 43 CO 0.00 -0.78 0.24 1.14 -0.81 0.00 0.00 175.30 175.09 2hcc s GLN 44 N -3.20 0.22 0.18 5.12 -2.07 -1.26 -1.79 119.66 116.86 2hcc s GLN 44 Ca 0.27 0.48 0.08 0.00 -1.82 0.00 0.00 55.36 54.37 2hcc s GLN 44 Cb -0.01 -0.06 -0.04 0.00 -1.09 0.00 0.00 33.01 31.82 2hcc s GLN 44 CO 0.17 -0.13 -0.04 0.08 -1.32 0.00 0.00 175.29 174.05 2hcc s VAL 45 N 0.97 3.50 -0.11 3.63 1.01 -0.84 -4.93 120.40 123.63 2hcc s VAL 45 Ca -0.07 -1.51 -0.02 0.00 0.00 0.00 0.00 61.98 60.38 2hcc s VAL 45 Cb -0.08 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2hcc s VAL 45 CO -0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 175.10 174.88 2hcc s ALA 47 N -0.21 1.17 1.19 0.00 0.00 -0.10 -1.21 121.76 122.59 2hcc s ALA 47 Ca 0.03 -1.26 -0.20 0.00 0.00 0.00 0.00 51.96 50.53 2hcc s ALA 47 Cb -0.13 0.04 0.29 0.00 0.00 0.00 0.00 23.12 23.33 2hcc s ALA 47 CO 0.02 -0.07 1.17 1.63 0.00 0.00 0.00 175.76 178.52 2hcc n LYS 48 N 0.36 -2.74 0.08 0.00 5.02 -1.26 -1.18 118.16 118.44 2hcc n LYS 48 Ca -0.15 -1.85 -0.04 0.00 -2.02 0.00 0.00 58.31 54.25 2hcc n LYS 48 Cb 0.59 -1.60 0.16 0.00 -0.02 0.00 0.00 35.03 34.15 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 0.27 -0.51 1.97 0.13 -1.94 -3.34 132.00 128.58 2hcc h PRO 49 Ca -0.42 -0.16 -0.28 0.00 -0.87 0.00 0.00 66.00 64.27 2hcc h PRO 49 Cb 1.26 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 32.00 2hcc h PRO 49 CO 0.28 0.72 -1.10 0.43 -0.23 0.00 0.00 178.00 178.11 2hcc n SER 50 N -3.95 1.88 -4.66 1.44 7.64 -1.26 -4.98 113.62 109.73 2hcc n SER 50 Ca -0.02 -2.24 -0.39 0.00 1.01 0.00 0.00 58.87 57.23 2hcc n SER 50 Cb 0.55 -0.47 0.04 0.00 -1.01 0.00 0.00 64.21 63.32 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 -0.57 0.13 3.58 0.23 0.00 -1.25 -4.80 105.19 102.50 2hcc n GLY 51 Ca 0.11 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.62 2.62 0.00 1.61 0.04 -1.26 -2.16 135.00 133.23 2hcc s PRO 52 Ca 0.71 -1.07 0.00 0.00 0.04 0.00 0.00 61.00 60.68 2hcc s PRO 52 Cb -0.45 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 28.86 2hcc s PRO 52 CO 0.50 -3.74 0.00 0.41 0.04 0.00 0.00 177.00 174.22 2hcc n GLY 53 N 5.98 1.24 0.33 0.56 0.00 -1.26 -4.75 105.19 107.29 2hcc n GLY 53 Ca 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.43 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 1.22 0.00 1.61 2.07 -1.79 0.79 116.25 120.16 2hcc h VAL 54 Ca 0.00 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2hcc h VAL 54 Cb 0.00 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.72 2hcc h VAL 54 CO 0.00 0.22 -0.13 -0.61 0.02 0.00 0.00 177.57 177.07 2hcc h GLN 55 N 1.17 0.00 -0.29 1.57 5.75 -1.94 -2.39 115.11 118.98 2hcc h GLN 55 Ca 0.32 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.70 2hcc h GLN 55 Cb -0.13 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.42 2hcc h GLN 55 CO -0.07 0.13 -0.28 0.22 -2.65 0.00 0.00 178.83 176.18 2hcc h ASP 56 N 0.00 0.74 -0.46 -0.69 3.58 -1.21 0.16 116.42 118.54 2hcc h ASP 56 Ca -0.00 -0.47 -0.04 0.00 0.42 0.00 0.00 57.03 56.94 2hcc h ASP 56 Cb 0.50 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 2hcc h ASP 56 CO 0.02 1.06 0.12 0.00 -2.88 0.00 0.00 179.24 177.56 2hcc h MET 58 N 0.61 0.00 -0.12 0.00 2.86 -1.37 -2.35 114.93 114.56 2hcc h MET 58 Ca 0.15 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2hcc h MET 58 Cb 0.30 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 2hcc h MET 58 CO -0.00 0.19 0.01 -0.22 1.06 0.00 0.00 176.91 177.95 2hcc h LYS 59 N 0.00 0.21 0.00 1.72 3.64 -0.01 -2.05 116.57 120.08 2hcc h LYS 59 Ca -0.00 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 2hcc h LYS 59 Cb 0.70 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2hcc h LYS 59 CO 0.03 0.43 -0.42 -0.22 -2.27 0.00 0.00 179.45 177.00 2hcc h LYS 60 N -0.05 0.00 0.00 1.90 1.63 -1.36 -1.83 116.57 116.86 2hcc h LYS 60 Ca 0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2hcc h LYS 60 Cb 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2hcc h LYS 60 CO 0.00 0.42 0.00 1.28 -3.45 0.00 0.00 179.45 177.70 2hcc n LEU 61 N -4.00 0.00 -3.84 5.20 4.32 -0.89 -4.73 117.00 113.05 2hcc n LEU 61 Ca -0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.85 2hcc n LEU 61 Cb 0.45 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.12 2hcc n LEU 61 CO 0.39 0.00 -0.24 -0.75 -1.22 0.00 0.00 177.39 175.57 2hcc s LYS 62 N -2.00 0.16 -1.20 3.23 2.20 -0.69 -4.99 119.74 116.45 2hcc s LYS 62 Ca 0.37 0.09 -0.20 0.00 -0.36 0.00 0.00 55.97 55.88 2hcc s LYS 62 Cb 0.17 0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.54 2hcc s LYS 62 CO 0.29 -0.02 1.90 -0.35 -0.36 0.00 0.00 175.35 176.81 2hcc n PRO 63 N 2.87 2.30 -2.43 4.03 -0.04 -1.26 -4.52 135.00 135.96 2hcc n PRO 63 Ca -0.13 -2.67 -0.00 0.00 -0.04 0.00 0.00 63.50 60.65 2hcc n PRO 63 Cb 0.59 -3.46 0.04 0.00 -0.04 0.00 0.00 33.50 30.63 2hcc n PRO 63 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2hcc n TYR 64 N 10.14 1.03 -4.63 0.54 4.19 -1.26 -5.08 117.16 122.08 2hcc n TYR 64 Ca 0.48 -1.75 -0.30 0.00 3.31 0.00 0.00 57.90 59.64 2hcc n TYR 64 Cb 0.44 -0.22 -0.13 0.00 0.49 0.00 0.00 39.34 39.92 2hcc n TYR 64 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 2hcc s SER 65 N -3.36 3.54 0.00 2.98 0.15 -1.26 -5.10 113.70 110.65 2hcc s SER 65 Ca 0.30 -0.55 0.25 0.00 0.70 0.00 0.00 55.95 56.64 2hcc s SER 65 Cb 0.34 -0.43 1.47 0.00 -1.71 0.00 0.00 66.02 65.68 2hcc s SER 65 CO -0.07 0.23 1.83 0.00 1.20 0.00 0.00 173.24 176.43