#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hdm h SER 3 N 0.00 0.00 0.00 1.61 0.02 -1.99 -3.49 113.55 109.70 2hdm h SER 3 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hdm h SER 3 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2hdm h SER 3 CO 0.00 0.26 0.00 -0.62 -1.14 0.00 0.00 176.83 175.33 2hdm n GLU 4 N -3.38 0.00 -4.00 3.45 1.02 -1.26 -5.14 120.64 111.34 2hdm n GLU 4 Ca -0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2hdm n GLU 4 Cb 0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.29 2hdm n GLU 4 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2hdm s VAL 5 N -0.64 0.19 -0.90 2.62 -7.23 -1.26 -4.92 120.40 108.26 2hdm s VAL 5 Ca 0.00 -0.10 -0.05 0.00 -1.81 0.00 0.00 61.98 60.02 2hdm s VAL 5 Cb 0.00 -0.16 -0.02 0.00 0.56 0.00 0.00 36.38 36.75 2hdm s VAL 5 CO 0.00 0.05 0.77 -0.24 -0.31 0.00 0.00 175.10 175.38 2hdm n SER 6 N 3.02 -6.87 -4.71 4.85 2.88 -1.26 -4.91 113.62 106.63 2hdm n SER 6 Ca -0.12 -0.48 -0.42 0.00 -1.33 0.00 0.00 58.87 56.52 2hdm n SER 6 Cb 0.59 -4.71 -0.03 0.00 -0.75 0.00 0.00 64.21 59.31 2hdm n SER 6 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2hdm s ASP 7 N -3.18 7.09 0.48 -3.46 2.15 -1.26 -4.75 116.67 113.74 2hdm s ASP 7 Ca 0.21 2.02 0.00 0.00 0.43 0.00 0.00 52.55 55.21 2hdm s ASP 7 Cb -0.04 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 2hdm s ASP 7 CO 0.77 -0.46 0.00 0.29 -0.17 0.00 0.00 175.17 175.61 2hdm n LYS 8 N 3.84 0.00 -3.17 4.34 5.02 -1.26 -4.78 118.16 122.15 2hdm n LYS 8 Ca 0.09 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.05 2hdm n LYS 8 Cb 0.46 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.41 2hdm n LYS 8 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2hdm s ARG 9 N 0.00 3.99 0.11 1.97 3.00 -1.26 -4.89 118.95 121.86 2hdm s ARG 9 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 55.73 56.36 2hdm s ARG 9 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 34.95 32.48 2hdm s ARG 9 CO 0.00 0.18 0.00 2.41 0.00 0.00 0.00 175.30 177.89 2hdm n THR 10 N -0.30 -1.94 -4.57 0.02 -1.04 -1.26 -5.03 114.28 100.15 2hdm n THR 10 Ca 0.03 0.52 -0.32 0.00 -2.04 0.00 0.00 64.05 62.25 2hdm n THR 10 Cb 0.53 -0.84 -0.11 0.00 -1.82 0.00 0.00 70.33 68.08 2hdm n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hdm s VAL 12 N -0.95 3.72 0.02 0.00 1.01 -1.26 -4.83 120.40 118.11 2hdm s VAL 12 Ca 0.16 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.52 2hdm s VAL 12 Cb -0.11 -4.91 0.00 0.00 0.00 0.00 0.00 36.38 31.36 2hdm s VAL 12 CO 0.06 -1.85 0.00 -1.20 0.00 0.00 0.00 175.10 172.11 2hdm n SER 13 N 9.41 -0.39 -4.26 3.32 7.64 -1.26 -4.99 113.62 123.09 2hdm n SER 13 Ca 0.04 0.04 -0.28 0.00 1.01 0.00 0.00 58.87 59.67 2hdm n SER 13 Cb 0.49 -0.21 -0.15 0.00 -1.01 0.00 0.00 64.21 63.33 2hdm n SER 13 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2hdm s LEU 14 N -3.61 2.07 0.56 -3.43 1.43 -1.26 -4.82 118.68 109.62 2hdm s LEU 14 Ca 0.00 -0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 52.57 2hdm s LEU 14 Cb 0.00 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 2hdm s LEU 14 CO 0.00 0.26 0.93 0.28 0.23 0.00 0.00 176.35 178.05 2hdm s THR 15 N -0.59 4.78 -0.29 5.49 -1.32 -1.20 -4.84 115.64 117.67 2hdm s THR 15 Ca 0.09 0.64 0.10 0.00 -1.21 0.00 0.00 61.69 61.31 2hdm s THR 15 Cb -0.09 -3.86 -0.13 0.00 -1.51 0.00 0.00 72.50 66.92 2hdm s THR 15 CO -0.00 -1.00 0.34 0.35 -2.21 0.00 0.00 174.62 172.10 2hdm n THR 16 N -2.48 0.00 -1.63 5.08 -2.24 -1.26 -3.76 114.28 107.99 2hdm n THR 16 Ca 0.04 -0.25 -0.30 0.00 -2.27 0.00 0.00 64.05 61.27 2hdm n THR 16 Cb 0.54 0.72 0.19 0.00 -2.10 0.00 0.00 70.33 69.69 2hdm n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hdm s GLN 17 N -2.22 0.17 0.27 -0.78 -2.07 -1.26 -5.07 119.66 108.69 2hdm s GLN 17 Ca 0.01 -0.22 0.10 0.00 -1.82 0.00 0.00 55.36 53.44 2hdm s GLN 17 Cb 0.07 -1.77 -0.05 0.00 -1.09 0.00 0.00 33.01 30.17 2hdm s GLN 17 CO 0.41 -2.76 -0.17 1.03 -1.32 0.00 0.00 175.29 172.48 2hdm s ARG 18 N -5.67 1.60 0.01 9.60 0.52 -1.26 -5.02 118.95 118.73 2hdm s ARG 18 Ca 0.72 -1.74 0.05 0.00 -0.52 0.00 0.00 55.73 54.23 2hdm s ARG 18 Cb -0.07 -1.58 -0.02 0.00 0.52 0.00 0.00 34.95 33.81 2hdm s ARG 18 CO 0.54 0.26 -0.16 -0.51 0.02 0.00 0.00 175.30 175.45 2hdm s LEU 19 N -3.47 2.08 0.09 2.53 1.02 -1.26 -5.10 118.68 114.57 2hdm s LEU 19 Ca 0.28 -0.35 -0.34 0.00 0.02 0.00 0.00 54.13 53.75 2hdm s LEU 19 Cb -0.03 -0.78 -0.13 0.00 0.02 0.00 0.00 46.19 45.27 2hdm s LEU 19 CO 0.13 0.16 1.68 -0.81 0.02 0.00 0.00 176.35 177.53 2hdm n PRO 20 N 2.43 2.23 0.27 1.29 -0.04 -1.26 -4.84 135.00 135.08 2hdm n PRO 20 Ca -0.15 0.81 0.18 0.00 -0.04 0.00 0.00 63.50 64.30 2hdm n PRO 20 Cb 0.54 -2.61 0.87 0.00 -0.04 0.00 0.00 33.50 32.26 2hdm n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hdm h SER 22 N 0.00 0.00 1.74 0.00 0.02 -2.04 -2.18 113.55 111.09 2hdm h SER 22 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hdm h SER 22 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2hdm h SER 22 CO 0.00 0.00 -0.08 0.03 -1.14 0.00 0.00 176.83 175.64 2hdm h ARG 23 N 0.00 0.00 -6.48 3.45 3.08 -1.54 -3.47 114.38 109.43 2hdm h ARG 23 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2hdm h ARG 23 Cb 0.20 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.27 2hdm h ARG 23 CO 0.00 0.00 0.85 0.42 -1.07 0.00 0.00 179.97 180.17 2hdm s ILE 24 N -3.18 3.24 -0.12 2.04 -1.09 -0.82 -1.14 121.20 120.13 2hdm s ILE 24 Ca 0.08 0.78 -0.13 0.00 -2.23 0.00 0.00 60.65 59.15 2hdm s ILE 24 Cb 0.08 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 2hdm s ILE 24 CO 0.66 0.03 -0.24 1.17 -1.23 0.00 0.00 174.94 175.32 2hdm n LYS 25 N 4.81 0.37 -4.01 2.79 4.81 0.07 -4.74 118.16 122.27 2hdm n LYS 25 Ca 0.13 0.15 -0.10 0.00 -0.87 0.00 0.00 58.31 57.63 2hdm n LYS 25 Cb 0.42 -1.14 -0.08 0.00 0.02 0.00 0.00 35.03 34.25 2hdm n LYS 25 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2hdm s THR 26 N -2.45 0.07 0.17 3.15 -1.32 -1.15 -5.01 115.64 109.10 2hdm s THR 26 Ca -0.20 -1.51 0.04 0.00 -1.21 0.00 0.00 61.69 58.81 2hdm s THR 26 Cb 0.03 -1.93 -0.05 0.00 -1.51 0.00 0.00 72.50 69.05 2hdm s THR 26 CO 0.30 -0.30 -0.08 -0.72 -2.21 0.00 0.00 174.62 171.61 2hdm s TYR 27 N -3.99 1.34 -0.07 9.09 -0.85 -1.26 -0.51 117.35 121.09 2hdm s TYR 27 Ca 0.20 -0.79 -0.03 0.00 -0.52 0.00 0.00 57.07 55.93 2hdm s TYR 27 Cb 0.04 -0.70 0.04 0.00 0.38 0.00 0.00 41.96 41.71 2hdm s TYR 27 CO 0.01 0.06 0.08 0.99 -1.52 0.00 0.00 175.55 175.17 2hdm s THR 28 N -3.34 -0.12 -0.12 -3.49 2.01 1.00 -4.93 115.64 106.64 2hdm s THR 28 Ca 0.19 0.31 -0.17 0.00 0.31 0.00 0.00 61.69 62.33 2hdm s THR 28 Cb 0.03 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 2hdm s THR 28 CO 0.02 0.09 0.43 -0.63 -0.69 0.00 0.00 174.62 173.84 2hdm s ILE 29 N 2.18 5.21 -0.24 1.82 1.01 -1.26 0.29 121.20 130.20 2hdm s ILE 29 Ca 0.04 0.84 -0.10 0.00 0.00 0.00 0.00 60.65 61.44 2hdm s ILE 29 Cb -0.13 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2hdm s ILE 29 CO -0.04 0.36 0.13 0.42 0.00 0.00 0.00 174.94 175.81 2hdm s THR 30 N 0.48 5.06 -0.17 2.92 -4.23 0.95 -4.95 115.64 115.70 2hdm s THR 30 Ca 0.23 0.08 -0.08 0.00 -1.18 0.00 0.00 61.69 60.74 2hdm s THR 30 Cb -0.15 -3.36 -0.04 0.00 1.34 0.00 0.00 72.50 70.29 2hdm s THR 30 CO 0.09 0.34 0.11 -1.61 -0.54 0.00 0.00 174.62 173.01 2hdm s GLU 31 N 1.21 3.87 0.00 3.99 2.02 -1.26 -3.39 118.70 125.15 2hdm s GLU 31 Ca 0.06 -0.22 0.00 0.00 0.02 0.00 0.00 54.97 54.83 2hdm s GLU 31 Cb -0.14 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.80 2hdm s GLU 31 CO 0.05 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.20 2hdm n GLY 32 N 3.00 -0.49 0.26 -1.39 0.00 -1.26 -4.92 105.19 100.40 2hdm n GLY 32 Ca -0.17 0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 2hdm n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2hdm n SER 33 N 0.00 1.72 -4.44 1.61 2.88 -1.26 -4.85 113.62 109.28 2hdm n SER 33 Ca 0.00 0.29 -0.44 0.00 -1.33 0.00 0.00 58.87 57.39 2hdm n SER 33 Cb 0.00 -0.68 -0.06 0.00 -0.75 0.00 0.00 64.21 62.72 2hdm n SER 33 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2hdm s LEU 34 N -7.52 5.07 -0.52 2.46 1.43 -1.26 -5.00 118.68 113.35 2hdm s LEU 34 Ca -0.28 -0.99 -0.27 0.00 -1.03 0.00 0.00 54.13 51.56 2hdm s LEU 34 Cb 0.08 -2.41 0.03 0.00 0.03 0.00 0.00 46.19 43.92 2hdm s LEU 34 CO 0.38 -0.87 1.04 -0.60 0.23 0.00 0.00 176.35 176.54 2hdm s ARG 35 N 2.50 3.52 0.00 1.70 6.06 -1.25 -4.54 118.95 126.93 2hdm s ARG 35 Ca 0.13 0.17 -0.00 0.00 -2.50 0.00 0.00 55.73 53.53 2hdm s ARG 35 Cb -0.20 -3.97 -0.00 0.00 0.06 0.00 0.00 34.95 30.83 2hdm s ARG 35 CO 0.11 -1.43 -0.00 0.00 -2.50 0.00 0.00 175.30 171.48 2hdm s ALA 36 N 4.24 0.01 -0.32 6.12 0.00 -1.22 -4.67 121.76 125.92 2hdm s ALA 36 Ca 0.39 -0.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.21 2hdm s ALA 36 Cb -0.09 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2hdm s ALA 36 CO 0.26 -0.01 0.16 0.54 0.00 0.00 0.00 175.76 176.70 2hdm s VAL 37 N -0.12 4.58 -0.29 0.00 0.11 -1.01 -0.03 120.40 123.63 2hdm s VAL 37 Ca -0.01 -0.51 -0.13 0.00 -2.93 0.00 0.00 61.98 58.39 2hdm s VAL 37 Cb -0.01 -3.38 -0.04 0.00 -1.53 0.00 0.00 36.38 31.42 2hdm s VAL 37 CO -0.00 0.01 0.27 -0.63 -3.33 0.00 0.00 175.10 171.42 2hdm s ILE 38 N 1.60 5.25 -0.19 7.04 1.01 0.15 -1.04 121.20 135.01 2hdm s ILE 38 Ca 0.04 0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.83 2hdm s ILE 38 Cb -0.17 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 2hdm s ILE 38 CO 0.06 0.14 0.13 -0.36 0.00 0.00 0.00 174.94 174.91 2hdm s PHE 39 N 1.88 3.42 -0.19 3.97 0.08 0.14 -0.00 117.98 127.29 2hdm s PHE 39 Ca 0.10 0.34 -0.09 0.00 0.12 0.00 0.00 56.93 57.40 2hdm s PHE 39 Cb -0.16 -2.12 -0.05 0.00 -0.57 0.00 0.00 43.02 40.13 2hdm s PHE 39 CO 0.11 0.35 0.10 0.42 -0.10 0.00 0.00 175.22 176.09 2hdm s ILE 40 N 0.13 5.08 0.71 0.64 -1.09 0.33 -0.12 121.20 126.89 2hdm s ILE 40 Ca 0.09 0.07 -0.10 0.00 -2.23 0.00 0.00 60.65 58.48 2hdm s ILE 40 Cb -0.11 -3.31 0.04 0.00 -1.58 0.00 0.00 42.46 37.50 2hdm s ILE 40 CO -0.01 0.45 1.07 0.42 -1.23 0.00 0.00 174.94 175.64 2hdm s THR 41 N 0.40 2.92 -0.79 2.92 -4.23 0.66 -0.75 115.64 116.78 2hdm s THR 41 Ca 0.05 0.14 0.22 0.00 -1.18 0.00 0.00 61.69 60.92 2hdm s THR 41 Cb -0.12 -3.27 0.21 0.00 1.34 0.00 0.00 72.50 70.66 2hdm s THR 41 CO -0.01 -0.33 1.67 0.29 -0.54 0.00 0.00 174.62 175.70 2hdm n LYS 42 N -3.00 0.10 0.22 3.99 5.02 -0.29 -0.82 118.16 123.38 2hdm n LYS 42 Ca 0.07 0.26 0.13 0.00 -2.02 0.00 0.00 58.31 56.75 2hdm n LYS 42 Cb 0.59 -1.67 0.23 0.00 -0.02 0.00 0.00 35.03 34.16 2hdm n LYS 42 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2hdm h ARG 43 N 0.00 0.00 0.00 1.97 1.12 -1.92 -3.47 114.38 112.08 2hdm h ARG 43 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2hdm h ARG 43 Cb 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.36 2hdm h ARG 43 CO 0.00 0.00 0.00 0.41 -3.11 0.00 0.00 179.97 177.27 2hdm n GLY 44 N 1.01 1.01 3.94 2.80 0.00 0.00 -5.09 105.19 108.86 2hdm n GLY 44 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 2hdm n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hdm s LEU 45 N 0.00 4.34 -0.26 0.99 1.43 -1.25 -4.83 118.68 119.10 2hdm s LEU 45 Ca 0.00 0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 53.22 2hdm s LEU 45 Cb 0.00 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 2hdm s LEU 45 CO 0.00 0.07 0.07 -1.59 0.23 0.00 0.00 176.35 175.12 2hdm s LYS 46 N -3.13 3.50 0.11 1.70 -2.85 -1.26 -0.24 119.74 117.56 2hdm s LYS 46 Ca 0.35 -0.58 0.10 0.00 -1.00 0.00 0.00 55.97 54.84 2hdm s LYS 46 Cb -0.11 -3.32 -0.04 0.00 -2.06 0.00 0.00 37.83 32.30 2hdm s LYS 46 CO 0.28 -0.25 -0.26 0.08 0.10 0.00 0.00 175.35 175.30 2hdm s VAL 47 N 1.58 2.26 -0.08 1.79 1.01 0.83 -4.81 120.40 122.99 2hdm s VAL 47 Ca 0.06 -1.65 0.04 0.00 0.00 0.00 0.00 61.98 60.43 2hdm s VAL 47 Cb -0.15 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 2hdm s VAL 47 CO 0.03 0.16 -0.22 0.00 0.00 0.00 0.00 175.10 175.07 2hdm s ALA 49 N 0.25 1.39 -0.12 0.00 0.00 -0.21 -3.21 121.76 119.85 2hdm s ALA 49 Ca -0.14 -1.19 -0.29 0.00 0.00 0.00 0.00 51.96 50.33 2hdm s ALA 49 Cb -0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2hdm s ALA 49 CO 0.07 0.12 1.27 0.34 0.00 0.00 0.00 175.76 177.56 2hdm s ASP 50 N -2.21 6.95 0.00 0.00 -1.08 -1.25 -2.40 116.67 116.68 2hdm s ASP 50 Ca 0.05 1.77 0.09 0.00 -0.52 0.00 0.00 52.55 53.94 2hdm s ASP 50 Cb -0.07 -2.54 0.40 0.00 -1.46 0.00 0.00 42.92 39.25 2hdm s ASP 50 CO 0.03 -0.72 1.25 -0.81 0.52 0.00 0.00 175.17 175.43 2hdm n PRO 51 N 6.23 0.04 0.00 4.34 -0.04 -1.26 -1.51 135.00 142.80 2hdm n PRO 51 Ca 0.13 0.31 0.10 0.00 -0.04 0.00 0.00 63.50 64.00 2hdm n PRO 51 Cb 0.45 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 2hdm n PRO 51 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2hdm n GLN 52 N -1.44 0.17 -2.10 0.54 1.13 -1.26 -4.46 117.38 109.96 2hdm n GLN 52 Ca 0.03 -0.14 -0.42 0.00 -1.94 0.00 0.00 57.00 54.53 2hdm n GLN 52 Cb 0.10 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.92 2hdm n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2hdm s ALA 53 N -2.93 3.64 0.40 -1.58 0.00 -0.57 -4.87 121.76 115.86 2hdm s ALA 53 Ca 0.10 1.20 0.11 0.00 0.00 0.00 0.00 51.96 53.37 2hdm s ALA 53 Cb 0.16 -3.56 0.93 0.00 0.00 0.00 0.00 23.12 20.65 2hdm s ALA 53 CO 0.81 -0.66 1.95 1.15 0.00 0.00 0.00 175.76 179.01 2hdm h THR 54 N 4.13 0.90 -0.02 0.00 2.02 -1.91 0.22 112.91 118.24 2hdm h THR 54 Ca -0.43 -0.19 -0.19 0.00 0.77 0.00 0.00 66.41 66.38 2hdm h THR 54 Cb 1.21 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2hdm h THR 54 CO 0.87 0.10 -0.81 4.11 0.37 0.00 0.00 175.52 180.15 2hdm h TRP 55 N 0.54 0.38 -0.08 3.16 5.08 -1.94 -0.99 115.95 122.10 2hdm h TRP 55 Ca 0.33 -0.19 -0.03 0.00 1.08 0.00 0.00 58.89 60.08 2hdm h TRP 55 Cb 0.56 -0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 26.66 2hdm h TRP 55 CO -0.00 0.97 -0.05 0.28 -1.28 0.00 0.00 178.44 178.36 2hdm h VAL 56 N 0.17 1.34 -0.81 0.12 2.07 -1.38 -1.20 116.25 116.55 2hdm h VAL 56 Ca -0.04 -1.12 0.12 0.00 0.82 0.00 0.00 66.70 66.48 2hdm h VAL 56 Cb 1.41 1.90 -0.06 0.00 -1.52 0.00 0.00 31.29 33.03 2hdm h VAL 56 CO 0.13 0.31 0.53 0.03 0.02 0.00 0.00 177.57 178.59 2hdm h ARG 57 N -0.20 0.66 -0.19 1.57 3.08 -0.57 0.39 114.38 119.12 2hdm h ARG 57 Ca 0.02 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2hdm h ARG 57 Cb 0.52 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2hdm h ARG 57 CO 0.01 0.43 -0.07 0.22 -1.07 0.00 0.00 179.97 179.49 2hdm h ASP 58 N 0.68 0.39 -0.04 7.04 3.58 -0.88 -2.66 116.42 124.53 2hdm h ASP 58 Ca 0.39 -0.40 -0.14 0.00 0.42 0.00 0.00 57.03 57.30 2hdm h ASP 58 Cb 0.57 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 41.53 2hdm h ASP 58 CO -0.16 0.70 -0.53 0.00 -2.88 0.00 0.00 179.24 176.37 2hdm h VAL 60 N -0.06 0.62 0.00 0.00 3.04 -0.38 0.21 116.25 119.69 2hdm h VAL 60 Ca -0.06 -0.05 -0.35 0.00 -1.01 0.00 0.00 66.70 65.24 2hdm h VAL 60 Cb 1.22 1.03 -0.06 0.00 -2.01 0.00 0.00 31.29 31.47 2hdm h VAL 60 CO 0.11 0.01 -2.19 0.54 -1.01 0.00 0.00 177.57 175.03 2hdm n ARG 61 N -3.96 0.67 -0.04 4.17 5.12 -1.00 -3.68 116.66 117.94 2hdm n ARG 61 Ca -0.03 0.08 -0.06 0.00 -1.93 0.00 0.00 57.85 55.91 2hdm n ARG 61 Cb 0.10 -1.60 0.13 0.00 -1.16 0.00 0.00 32.46 29.93 2hdm n ARG 61 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2hdm h SER 62 N 0.00 0.64 0.44 0.55 0.02 0.84 0.69 113.55 116.74 2hdm h SER 62 Ca -0.47 -0.24 -0.11 0.00 -0.84 0.00 0.00 61.79 60.13 2hdm h SER 62 Cb 2.18 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 64.53 2hdm h SER 62 CO 0.04 0.89 -0.51 0.24 -1.14 0.00 0.00 176.83 176.35 2hdm h MET 63 N 0.55 0.08 -0.26 3.45 2.86 -1.17 0.17 114.93 120.60 2hdm h MET 63 Ca 0.07 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 2hdm h MET 63 Cb 0.74 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 2hdm h MET 63 CO 0.06 0.57 -0.24 0.22 1.06 0.00 0.00 176.91 178.58 2hdm h ASP 64 N 0.06 0.51 0.74 1.22 3.58 -1.53 -1.71 116.42 119.30 2hdm h ASP 64 Ca -0.00 -0.17 -0.17 0.00 0.42 0.00 0.00 57.03 57.11 2hdm h ASP 64 Cb 0.93 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 2hdm h ASP 64 CO 0.07 0.75 -0.80 -0.09 -2.88 0.00 0.00 179.24 176.29 2hdm h ARG 65 N 0.45 0.04 -0.23 0.28 9.65 -0.08 -3.08 114.38 121.40 2hdm h ARG 65 Ca 0.07 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.83 2hdm h ARG 65 Cb 0.66 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.24 2hdm h ARG 65 CO 0.05 0.82 -0.16 0.87 2.80 0.00 0.00 179.97 184.35 2hdm h LYS 66 N 0.02 0.40 -7.37 0.20 1.79 -0.23 -3.44 116.57 107.94 2hdm h LYS 66 Ca -0.01 -0.12 -0.46 0.00 -2.18 0.00 0.00 60.65 57.88 2hdm h LYS 66 Cb 1.41 -0.04 0.10 0.00 -1.58 0.00 0.00 32.23 32.12 2hdm h LYS 66 CO 0.11 0.55 0.24 -1.12 -1.08 0.00 0.00 179.45 178.15 2hdm s SER 67 N -6.81 4.31 -0.35 0.86 0.01 -0.68 -5.03 113.70 106.00 2hdm s SER 67 Ca -0.06 0.21 -0.19 0.00 1.31 0.00 0.00 55.95 57.21 2hdm s SER 67 Cb 0.15 -0.65 -0.00 0.00 0.21 0.00 0.00 66.02 65.72 2hdm s SER 67 CO 0.76 -1.92 0.58 0.20 0.41 0.00 0.00 173.24 173.27 2hdm s ASN 68 N -4.66 6.38 -0.18 2.44 0.01 -1.26 -4.93 114.94 112.75 2hdm s ASN 68 Ca 0.65 0.07 -0.27 0.00 -0.71 0.00 0.00 52.86 52.61 2hdm s ASN 68 Cb -0.08 -2.30 0.07 0.00 0.41 0.00 0.00 41.25 39.35 2hdm s ASN 68 CO 0.46 -0.54 0.68 0.28 -1.51 0.00 0.00 177.10 176.48 2hdm s THR 69 N 2.56 0.00 0.00 1.60 -1.32 -1.26 -4.98 115.64 112.25 2hdm s THR 69 Ca 0.22 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 2hdm s THR 69 Cb -0.15 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2hdm s THR 69 CO 0.14 -0.01 0.00 0.54 -2.21 0.00 0.00 174.62 173.08 2hdm n ARG 70 N 1.98 0.00 -2.61 7.08 1.74 -1.26 -4.65 116.66 118.95 2hdm n ARG 70 Ca -0.16 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.88 2hdm n ARG 70 Cb 0.56 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.97 2hdm n ARG 70 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2hdm n ASN 71 N 1.76 -3.03 -4.79 0.55 2.85 -1.26 -5.03 115.26 106.32 2hdm n ASN 71 Ca 0.00 1.35 -0.35 0.00 -0.11 0.00 0.00 54.58 55.46 2hdm n ASN 71 Cb 0.00 -5.19 -0.07 0.00 1.24 0.00 0.00 39.78 35.76 2hdm n ASN 71 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2hdm s ASN 72 N -0.99 5.82 -0.94 1.20 -0.87 -1.26 -5.03 114.94 112.86 2hdm s ASN 72 Ca -0.18 0.27 -0.22 0.00 -1.57 0.00 0.00 52.86 51.16 2hdm s ASN 72 Cb 0.01 -1.75 0.07 0.00 -0.02 0.00 0.00 41.25 39.56 2hdm s ASN 72 CO 0.78 0.36 1.32 -0.04 -2.57 0.00 0.00 177.10 176.94 2hdm s MET 73 N -1.20 3.52 -0.10 -0.60 -1.94 -1.26 -4.90 119.30 112.82 2hdm s MET 73 Ca 0.17 -1.17 -0.03 0.00 -1.71 0.00 0.00 55.69 52.95 2hdm s MET 73 Cb -0.12 -5.05 0.04 0.00 2.01 0.00 0.00 34.83 31.71 2hdm s MET 73 CO 0.07 -2.07 0.06 0.42 -0.01 0.00 0.00 175.02 173.49 2hdm s ILE 74 N 4.43 -0.01 0.00 2.53 1.01 -1.26 -5.36 121.20 122.54 2hdm s ILE 74 Ca 0.40 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.19 2hdm s ILE 74 Cb -0.03 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.05 2hdm s ILE 74 CO -0.06 0.01 0.00 0.00 0.00 0.00 0.00 174.94 174.89