#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hdm n SER 3 N 0.00 0.21 -4.33 1.61 2.88 -1.26 -5.09 113.62 107.64 2hdm n SER 3 Ca 0.00 0.25 -0.17 0.00 -1.33 0.00 0.00 58.87 57.62 2hdm n SER 3 Cb 0.00 0.09 0.04 0.00 -0.75 0.00 0.00 64.21 63.59 2hdm n SER 3 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2hdm n GLU 4 N -3.18 0.74 -4.79 -1.46 1.02 -1.26 -5.12 120.64 106.59 2hdm n GLU 4 Ca 0.00 -2.59 -0.30 0.00 -0.02 0.00 0.00 57.16 54.25 2hdm n GLU 4 Cb 0.00 -0.02 -0.17 0.00 -0.02 0.00 0.00 31.44 31.23 2hdm n GLU 4 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2hdm s VAL 5 N -1.99 1.71 0.20 2.62 0.11 -1.26 -5.10 120.40 116.69 2hdm s VAL 5 Ca 0.41 -0.80 -0.15 0.00 -2.93 0.00 0.00 61.98 58.51 2hdm s VAL 5 Cb -0.03 -1.52 0.01 0.00 -1.53 0.00 0.00 36.38 33.31 2hdm s VAL 5 CO 0.26 0.48 0.46 -0.44 -3.33 0.00 0.00 175.10 172.53 2hdm s SER 6 N 0.66 -0.15 0.18 3.54 0.01 -1.26 -5.14 113.70 111.54 2hdm s SER 6 Ca -0.13 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.46 2hdm s SER 6 Cb -0.16 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2hdm s SER 6 CO 0.03 -1.04 0.00 0.47 0.41 0.00 0.00 173.24 173.11 2hdm n ASP 7 N -0.32 -3.21 0.04 2.44 9.92 -1.26 -4.40 116.55 119.75 2hdm n ASP 7 Ca -0.07 0.47 -0.12 0.00 -0.53 0.00 0.00 54.79 54.54 2hdm n ASP 7 Cb 0.62 -0.91 -0.09 0.00 -0.64 0.00 0.00 41.12 40.10 2hdm n ASP 7 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2hdm h LYS 8 N 0.37 -0.16 -4.04 -1.24 3.11 -2.01 -3.35 116.57 109.26 2hdm h LYS 8 Ca 0.00 0.01 -0.77 0.00 -2.81 0.00 0.00 60.65 57.08 2hdm h LYS 8 Cb 0.10 0.04 -0.24 0.00 -1.00 0.00 0.00 32.23 31.13 2hdm h LYS 8 CO 0.00 0.31 -0.13 1.03 -2.81 0.00 0.00 179.45 177.85 2hdm s ARG 9 N -3.71 3.14 0.54 1.90 0.52 -1.26 -4.92 118.95 115.17 2hdm s ARG 9 Ca -0.14 -1.89 0.26 0.00 -0.52 0.00 0.00 55.73 53.44 2hdm s ARG 9 Cb 0.01 -4.33 1.55 0.00 0.52 0.00 0.00 34.95 32.70 2hdm s ARG 9 CO 0.55 -1.32 2.15 1.15 0.02 0.00 0.00 175.30 177.85 2hdm h THR 10 N 5.62 0.64 -3.58 0.02 2.02 -1.77 -3.42 112.91 112.45 2hdm h THR 10 Ca -0.20 -0.27 -0.19 0.00 0.77 0.00 0.00 66.41 66.52 2hdm h THR 10 Cb 1.09 1.17 -0.25 0.00 -1.74 0.00 0.00 68.15 68.41 2hdm h THR 10 CO 0.97 0.06 -0.60 0.00 0.37 0.00 0.00 175.52 176.32 2hdm n VAL 12 N 2.53 0.17 -3.31 0.00 0.24 -1.26 -4.88 118.33 111.82 2hdm n VAL 12 Ca -0.16 -0.41 -0.37 0.00 -2.04 0.00 0.00 64.34 61.37 2hdm n VAL 12 Cb 0.58 1.18 -0.06 0.00 -1.47 0.00 0.00 33.84 34.07 2hdm n VAL 12 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2hdm s SER 13 N -0.17 6.93 -0.46 -1.34 0.01 -1.26 -4.98 113.70 112.43 2hdm s SER 13 Ca 0.00 1.17 -0.14 0.00 1.31 0.00 0.00 55.95 58.29 2hdm s SER 13 Cb 0.00 -2.32 0.07 0.00 0.21 0.00 0.00 66.02 63.98 2hdm s SER 13 CO 0.00 0.17 0.36 -0.76 0.41 0.00 0.00 173.24 173.42 2hdm s LEU 14 N -1.61 5.51 -0.14 2.44 1.02 -1.26 -4.24 118.68 120.40 2hdm s LEU 14 Ca 0.34 -1.37 -0.29 0.00 0.02 0.00 0.00 54.13 52.83 2hdm s LEU 14 Cb -0.17 -2.13 -0.05 0.00 0.02 0.00 0.00 46.19 43.85 2hdm s LEU 14 CO 0.19 -0.62 1.89 -0.89 0.02 0.00 0.00 176.35 176.94 2hdm s THR 15 N 1.59 3.30 -0.54 5.49 2.01 -0.72 -4.51 115.64 122.25 2hdm s THR 15 Ca 0.04 0.34 0.23 0.00 0.31 0.00 0.00 61.69 62.61 2hdm s THR 15 Cb -0.24 -3.30 -0.10 0.00 0.01 0.00 0.00 72.50 68.87 2hdm s THR 15 CO 0.05 -0.12 1.02 0.41 -0.69 0.00 0.00 174.62 175.30 2hdm n THR 16 N 6.50 0.23 -1.80 -0.82 -1.04 -1.26 -2.26 114.28 113.83 2hdm n THR 16 Ca 0.22 -0.29 -0.30 0.00 -2.04 0.00 0.00 64.05 61.64 2hdm n THR 16 Cb 0.44 0.11 0.07 0.00 -1.82 0.00 0.00 70.33 69.12 2hdm n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hdm s GLN 17 N -3.23 2.43 0.18 -2.82 -2.07 -1.26 -5.03 119.66 107.86 2hdm s GLN 17 Ca 0.03 0.42 0.06 0.00 -1.82 0.00 0.00 55.36 54.04 2hdm s GLN 17 Cb 0.14 -1.98 -0.04 0.00 -1.09 0.00 0.00 33.01 30.04 2hdm s GLN 17 CO 0.80 -1.33 0.10 1.03 -1.32 0.00 0.00 175.29 174.57 2hdm s ARG 18 N -5.36 2.76 0.25 9.60 0.52 -1.26 -5.00 118.95 120.46 2hdm s ARG 18 Ca 0.60 -0.97 0.09 0.00 -0.52 0.00 0.00 55.73 54.93 2hdm s ARG 18 Cb -0.12 -2.55 -0.05 0.00 0.52 0.00 0.00 34.95 32.75 2hdm s ARG 18 CO 0.52 0.47 -0.14 -0.51 0.02 0.00 0.00 175.30 175.65 2hdm s LEU 19 N -3.15 2.57 0.05 2.53 1.02 -1.26 -5.10 118.68 115.34 2hdm s LEU 19 Ca 0.30 -1.07 -0.31 0.00 0.02 0.00 0.00 54.13 53.08 2hdm s LEU 19 Cb -0.10 -0.83 -0.08 0.00 0.02 0.00 0.00 46.19 45.21 2hdm s LEU 19 CO 0.22 -0.14 1.62 -2.84 0.02 0.00 0.00 176.35 175.23 2hdm s PRO 20 N -3.61 4.21 0.51 1.29 0.02 -1.26 -4.88 135.00 131.27 2hdm s PRO 20 Ca 0.27 2.27 0.25 0.00 0.02 0.00 0.00 61.00 63.82 2hdm s PRO 20 Cb -0.01 -3.62 1.39 0.00 0.02 0.00 0.00 34.50 32.28 2hdm s PRO 20 CO 0.11 -0.72 2.06 0.00 -0.33 0.00 0.00 177.00 178.13 2hdm h SER 22 N 0.00 0.00 0.93 0.00 0.87 -2.03 -1.93 113.55 111.40 2hdm h SER 22 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2hdm h SER 22 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2hdm h SER 22 CO 0.02 0.00 -0.19 0.54 -0.53 0.00 0.00 176.83 176.67 2hdm n ARG 23 N -3.10 0.07 -2.17 2.24 1.74 -0.18 -4.80 116.66 110.46 2hdm n ARG 23 Ca -0.01 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.69 2hdm n ARG 23 Cb 0.20 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 2hdm n ARG 23 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2hdm s ILE 24 N -3.03 3.61 -0.20 0.55 -1.09 -0.73 -2.27 121.20 118.04 2hdm s ILE 24 Ca 0.12 0.99 -0.15 0.00 -2.23 0.00 0.00 60.65 59.38 2hdm s ILE 24 Cb 0.17 -3.64 -0.08 0.00 -1.58 0.00 0.00 42.46 37.33 2hdm s ILE 24 CO 0.60 -0.01 -0.32 1.17 -1.23 0.00 0.00 174.94 175.15 2hdm n LYS 25 N 5.53 0.51 -3.82 2.79 0.00 0.37 -4.81 118.16 118.73 2hdm n LYS 25 Ca 0.14 0.21 -0.09 0.00 0.00 0.00 0.00 58.31 58.57 2hdm n LYS 25 Cb 0.43 -1.37 -0.04 0.00 0.00 0.00 0.00 35.03 34.05 2hdm n LYS 25 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2hdm s THR 26 N -2.65 0.02 0.09 3.15 -1.32 -1.10 -4.99 115.64 108.83 2hdm s THR 26 Ca -0.31 -0.98 -0.02 0.00 -1.21 0.00 0.00 61.69 59.18 2hdm s THR 26 Cb 0.08 -1.78 -0.04 0.00 -1.51 0.00 0.00 72.50 69.26 2hdm s THR 26 CO 0.42 -0.09 0.03 -0.72 -2.21 0.00 0.00 174.62 172.04 2hdm s TYR 27 N -3.92 0.63 -0.05 9.09 1.13 -1.26 0.06 117.35 123.04 2hdm s TYR 27 Ca 0.13 -1.09 -0.02 0.00 -1.41 0.00 0.00 57.07 54.68 2hdm s TYR 27 Cb -0.01 -0.39 0.03 0.00 -1.10 0.00 0.00 41.96 40.49 2hdm s TYR 27 CO 0.01 -0.46 0.08 0.99 -2.51 0.00 0.00 175.55 173.66 2hdm s THR 28 N -3.97 -0.12 -0.13 -3.49 2.01 0.91 -4.97 115.64 105.87 2hdm s THR 28 Ca 0.14 0.36 -0.20 0.00 0.31 0.00 0.00 61.69 62.31 2hdm s THR 28 Cb 0.07 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.38 2hdm s THR 28 CO -0.05 0.15 0.54 -0.63 -0.69 0.00 0.00 174.62 173.95 2hdm s ILE 29 N 1.91 5.13 -0.22 1.82 1.01 -1.26 0.19 121.20 129.78 2hdm s ILE 29 Ca 0.01 1.07 -0.04 0.00 0.00 0.00 0.00 60.65 61.69 2hdm s ILE 29 Cb -0.12 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 2hdm s ILE 29 CO -0.04 0.26 -0.04 0.42 0.00 0.00 0.00 174.94 175.54 2hdm s THR 30 N 1.00 3.46 -0.06 2.92 -4.23 0.30 -4.97 115.64 114.06 2hdm s THR 30 Ca 0.28 -0.47 0.05 0.00 -1.18 0.00 0.00 61.69 60.37 2hdm s THR 30 Cb -0.16 -2.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 2hdm s THR 30 CO 0.12 0.42 -0.23 -1.61 -0.54 0.00 0.00 174.62 172.78 2hdm s GLU 31 N 1.41 2.46 0.00 3.99 2.02 -1.26 -1.66 118.70 125.66 2hdm s GLU 31 Ca 0.05 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.22 2hdm s GLU 31 Cb -0.14 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.06 2hdm s GLU 31 CO -0.02 0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.96 2hdm n GLY 32 N 3.15 -0.51 0.07 -1.39 0.00 -1.26 -4.94 105.19 100.30 2hdm n GLY 32 Ca -0.18 0.61 -0.08 0.00 0.00 0.00 0.00 46.02 46.36 2hdm n GLY 32 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2hdm h SER 33 N 0.00 0.03 -3.36 1.61 0.87 -2.07 -3.43 113.55 107.21 2hdm h SER 33 Ca 0.00 -0.04 -0.39 0.00 -1.23 0.00 0.00 61.79 60.14 2hdm h SER 33 Cb 0.00 -0.01 -0.37 0.00 -0.44 0.00 0.00 62.40 61.58 2hdm h SER 33 CO 0.00 1.03 -0.75 -0.22 -0.53 0.00 0.00 176.83 176.36 2hdm s LEU 34 N -6.63 0.69 -0.19 2.23 1.98 -1.26 -5.13 118.68 110.37 2hdm s LEU 34 Ca -0.01 -0.02 -0.06 0.00 -2.89 0.00 0.00 54.13 51.15 2hdm s LEU 34 Cb 0.09 -0.28 -0.04 0.00 0.66 0.00 0.00 46.19 46.63 2hdm s LEU 34 CO 0.82 -0.17 0.04 0.00 -1.89 0.00 0.00 176.35 175.15 2hdm s ARG 35 N 1.66 3.85 -0.02 1.98 1.70 -1.25 -4.51 118.95 122.35 2hdm s ARG 35 Ca -0.01 -0.41 -0.07 0.00 -0.47 0.00 0.00 55.73 54.77 2hdm s ARG 35 Cb -0.13 -3.16 0.01 0.00 -0.57 0.00 0.00 34.95 31.10 2hdm s ARG 35 CO -0.03 0.19 0.15 0.00 -1.08 0.00 0.00 175.30 174.53 2hdm s ALA 36 N 0.57 -0.37 -0.37 7.88 0.00 -0.66 -4.84 121.76 123.97 2hdm s ALA 36 Ca 0.02 0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.90 2hdm s ALA 36 Cb -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2hdm s ALA 36 CO 0.02 -0.16 0.61 0.08 0.00 0.00 0.00 175.76 176.31 2hdm s VAL 37 N -0.80 4.91 -0.36 0.00 1.01 -0.18 -0.54 120.40 124.45 2hdm s VAL 37 Ca -0.09 0.45 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 2hdm s VAL 37 Cb -0.05 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 2hdm s VAL 37 CO 0.01 -0.34 0.51 -0.63 0.00 0.00 0.00 175.10 174.65 2hdm s ILE 38 N 2.66 5.01 -0.00 2.22 1.01 0.13 0.10 121.20 132.33 2hdm s ILE 38 Ca 0.23 0.30 -0.05 0.00 0.00 0.00 0.00 60.65 61.13 2hdm s ILE 38 Cb -0.15 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2hdm s ILE 38 CO 0.15 -0.24 0.23 -0.36 0.00 0.00 0.00 174.94 174.73 2hdm s PHE 39 N 2.39 3.57 -0.08 3.97 0.08 0.85 -0.06 117.98 128.70 2hdm s PHE 39 Ca 0.18 0.49 0.03 0.00 0.12 0.00 0.00 56.93 57.75 2hdm s PHE 39 Cb -0.15 -1.93 -0.02 0.00 -0.57 0.00 0.00 43.02 40.35 2hdm s PHE 39 CO 0.13 0.63 -0.15 0.42 -0.10 0.00 0.00 175.22 176.15 2hdm s ILE 40 N -1.30 2.95 0.65 0.64 -1.09 0.11 0.71 121.20 123.87 2hdm s ILE 40 Ca 0.27 -0.74 -0.07 0.00 -2.23 0.00 0.00 60.65 57.88 2hdm s ILE 40 Cb -0.13 -2.18 0.03 0.00 -1.58 0.00 0.00 42.46 38.60 2hdm s ILE 40 CO 0.16 0.57 0.96 0.42 -1.23 0.00 0.00 174.94 175.82 2hdm s THR 41 N -0.30 3.07 -1.16 2.92 -4.23 -0.33 -0.48 115.64 115.14 2hdm s THR 41 Ca 0.02 -0.08 0.21 0.00 -1.18 0.00 0.00 61.69 60.66 2hdm s THR 41 Cb -0.13 -3.27 0.24 0.00 1.34 0.00 0.00 72.50 70.69 2hdm s THR 41 CO 0.03 -0.29 1.66 0.29 -0.54 0.00 0.00 174.62 175.78 2hdm n LYS 42 N -2.75 0.11 0.17 3.99 5.02 -0.96 -1.18 118.16 122.56 2hdm n LYS 42 Ca 0.06 0.12 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 2hdm n LYS 42 Cb 0.59 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.36 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 2.43 -1.92 -3.48 114.38 113.38 2hdm h ARG 43 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2hdm h ARG 43 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2hdm h ARG 43 CO 0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 2hdm n GLY 44 N 1.18 0.40 3.87 2.80 0.00 -0.32 -5.07 105.19 108.05 2hdm n GLY 44 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 4.05 -0.17 0.99 1.43 -1.26 -4.81 118.68 118.91 2hdm s LEU 45 Ca 0.00 1.07 -0.16 0.00 -1.03 0.00 0.00 54.13 54.01 2hdm s LEU 45 Cb 0.00 -3.88 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 2hdm s LEU 45 CO 0.00 -0.20 0.41 -0.54 0.23 0.00 0.00 176.35 176.25 2hdm s LYS 46 N -3.16 4.24 0.10 1.70 1.02 -1.26 -1.18 119.74 121.19 2hdm s LYS 46 Ca 0.50 0.26 0.09 0.00 0.02 0.00 0.00 55.97 56.84 2hdm s LYS 46 Cb -0.11 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.68 2hdm s LYS 46 CO 0.23 0.06 -0.19 0.08 -0.92 0.00 0.00 175.35 174.61 2hdm s VAL 47 N 0.99 2.78 -0.12 3.17 1.01 0.22 -4.94 120.40 123.52 2hdm s VAL 47 Ca 0.21 -1.45 0.02 0.00 0.00 0.00 0.00 61.98 60.76 2hdm s VAL 47 Cb -0.15 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.00 2hdm s VAL 47 CO 0.08 0.16 -0.19 0.00 0.00 0.00 0.00 175.10 175.14 2hdm s ALA 49 N 0.80 0.52 -0.09 0.00 0.00 0.12 -1.76 121.76 121.35 2hdm s ALA 49 Ca -0.09 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 2hdm s ALA 49 Cb -0.16 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 2hdm s ALA 49 CO 0.00 -0.10 1.11 0.34 0.00 0.00 0.00 175.76 177.11 2hdm s ASP 50 N -1.84 7.14 0.00 0.00 2.15 -0.96 -1.01 116.67 122.15 2hdm s ASP 50 Ca -0.07 1.66 0.19 0.00 0.43 0.00 0.00 52.55 54.76 2hdm s ASP 50 Cb -0.07 -2.56 0.86 0.00 -0.30 0.00 0.00 42.92 40.85 2hdm s ASP 50 CO -0.01 -0.53 1.60 -0.81 -0.17 0.00 0.00 175.17 175.24 2hdm n PRO 51 N 5.21 0.09 0.00 4.34 -0.04 -1.26 -2.40 135.00 140.94 2hdm n PRO 51 Ca 0.10 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 2hdm n PRO 51 Cb 0.47 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.43 0.37 -2.46 0.54 1.13 -1.26 -4.61 117.38 109.66 2hdm n GLN 52 Ca 0.06 -0.24 -0.42 0.00 -1.94 0.00 0.00 57.00 54.46 2hdm n GLN 52 Cb 0.20 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.03 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 -2.80 3.47 0.36 -1.58 0.00 -1.01 -4.93 121.76 115.27 2hdm s ALA 53 Ca 0.15 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.79 2hdm s ALA 53 Cb 0.18 -3.50 0.66 0.00 0.00 0.00 0.00 23.12 20.46 2hdm s ALA 53 CO 0.66 -0.71 2.02 1.15 0.00 0.00 0.00 175.76 178.88 2hdm h THR 54 N 4.94 1.15 -0.33 0.00 2.02 -1.89 -0.22 112.91 118.59 2hdm h THR 54 Ca -0.35 -0.28 -0.11 0.00 0.77 0.00 0.00 66.41 66.44 2hdm h THR 54 Cb 1.17 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2hdm h THR 54 CO 0.87 0.15 -0.24 4.11 0.37 0.00 0.00 175.52 180.78 2hdm h TRP 55 N 0.83 0.73 -0.24 3.16 5.08 -1.95 0.38 115.95 123.94 2hdm h TRP 55 Ca 0.23 -0.16 -0.02 0.00 1.08 0.00 0.00 58.89 60.01 2hdm h TRP 55 Cb -0.09 -0.18 -0.01 0.00 -3.00 0.00 0.00 29.16 25.89 2hdm h TRP 55 CO -0.00 0.82 0.05 0.28 -1.28 0.00 0.00 178.44 178.32 2hdm h VAL 56 N 0.56 1.21 -0.75 0.12 2.07 -1.62 0.31 116.25 118.16 2hdm h VAL 56 Ca 0.08 -0.70 0.08 0.00 0.82 0.00 0.00 66.70 66.98 2hdm h VAL 56 Cb 0.71 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 2hdm h VAL 56 CO 0.05 0.22 0.49 0.03 0.02 0.00 0.00 177.57 178.39 2hdm h ARG 57 N 0.21 0.68 -0.10 1.57 3.08 -0.44 0.78 114.38 120.17 2hdm h ARG 57 Ca 0.07 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 2hdm h ARG 57 Cb 0.29 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2hdm h ARG 57 CO 0.00 0.45 -0.27 -0.44 -1.07 0.00 0.00 179.97 178.64 2hdm h ASP 58 N 0.70 0.40 0.12 7.04 5.19 -0.61 -3.12 116.42 126.15 2hdm h ASP 58 Ca 0.34 -0.60 -0.26 0.00 -0.62 0.00 0.00 57.03 55.89 2hdm h ASP 58 Cb 0.39 -0.12 0.02 0.00 0.18 0.00 0.00 39.33 39.80 2hdm h ASP 58 CO -0.12 0.93 -1.03 0.00 -3.12 0.00 0.00 179.24 175.90 2hdm h VAL 60 N 0.34 0.66 0.00 0.00 3.04 0.38 -0.81 116.25 119.85 2hdm h VAL 60 Ca -0.12 -0.53 -0.27 0.00 -1.01 0.00 0.00 66.70 64.78 2hdm h VAL 60 Cb 1.68 1.33 -0.05 0.00 -2.01 0.00 0.00 31.29 32.24 2hdm h VAL 60 CO 0.19 0.12 -1.77 -1.14 -1.01 0.00 0.00 177.57 173.97 2hdm n ARG 61 N -3.76 0.64 -0.18 4.17 0.63 -1.12 -3.24 116.66 113.80 2hdm n ARG 61 Ca -0.02 0.21 -0.07 0.00 -0.92 0.00 0.00 57.85 57.05 2hdm n ARG 61 Cb 0.23 -1.74 0.02 0.00 0.45 0.00 0.00 32.46 31.43 2hdm n ARG 61 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2hdm h SER 62 N 0.00 0.62 -0.28 6.15 0.87 0.91 0.36 113.55 122.18 2hdm h SER 62 Ca -0.30 -0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.08 2hdm h SER 62 Cb 1.92 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.72 2hdm h SER 62 CO 0.06 0.47 -0.39 0.24 -0.53 0.00 0.00 176.83 176.68 2hdm h MET 63 N 0.71 0.82 -0.66 2.24 2.86 -1.44 -2.91 114.93 116.55 2hdm h MET 63 Ca 0.19 -0.43 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 2hdm h MET 63 Cb -0.05 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 2hdm h MET 63 CO -0.04 1.06 0.28 0.22 1.06 0.00 0.00 176.91 179.49 2hdm h ASP 64 N 0.68 0.88 -0.04 1.22 3.58 -1.41 -2.46 116.42 118.86 2hdm h ASP 64 Ca 0.06 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 2hdm h ASP 64 Cb 0.96 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 2hdm h ASP 64 CO 0.09 0.78 -0.04 -0.09 -2.88 0.00 0.00 179.24 177.10 2hdm h ARG 65 N 0.95 0.22 0.00 0.28 2.43 -0.10 -0.25 114.38 117.91 2hdm h ARG 65 Ca 0.23 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2hdm h ARG 65 Cb 0.17 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2hdm h ARG 65 CO -0.02 0.27 -0.06 0.87 -1.51 0.00 0.00 179.97 179.52 2hdm h LYS 66 N 0.21 0.00 -0.38 0.20 1.57 -1.34 -0.32 116.57 116.51 2hdm h LYS 66 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2hdm h LYS 66 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2hdm h LYS 66 CO 0.01 0.06 0.00 0.45 -0.57 0.00 0.00 179.45 179.39 2hdm n SER 67 N -3.36 3.27 0.00 0.86 2.88 -0.17 -4.92 113.62 112.19 2hdm n SER 67 Ca -0.02 -1.94 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 2hdm n SER 67 Cb 0.21 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 2hdm n SER 67 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2hdm n ASN 68 N 1.27 0.48 -4.74 -3.46 2.85 -0.13 -5.06 115.26 106.47 2hdm n ASN 68 Ca 0.17 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.23 2hdm n ASN 68 Cb 0.55 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.54 2hdm n ASN 68 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2hdm s THR 69 N 2.02 2.78 0.58 -0.44 -1.32 -1.26 -4.99 115.64 113.02 2hdm s THR 69 Ca 0.00 0.65 0.02 0.00 -1.21 0.00 0.00 61.69 61.15 2hdm s THR 69 Cb 0.00 -3.41 0.11 0.00 -1.51 0.00 0.00 72.50 67.69 2hdm s THR 69 CO 0.00 0.10 0.80 -2.11 -2.21 0.00 0.00 174.62 171.20 2hdm n ARG 70 N 2.48 0.15 -3.74 7.08 1.85 -1.26 -4.83 116.66 118.38 2hdm n ARG 70 Ca 0.07 -2.35 -0.09 0.00 -1.00 0.00 0.00 57.85 54.47 2hdm n ARG 70 Cb 0.41 -0.48 -0.03 0.00 -1.05 0.00 0.00 32.46 31.31 2hdm n ARG 70 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2hdm s ASN 71 N -4.33 -0.30 -0.80 2.89 2.47 -1.26 -5.07 114.94 108.54 2hdm s ASN 71 Ca 0.55 -0.48 -0.25 0.00 0.42 0.00 0.00 52.86 53.10 2hdm s ASN 71 Cb -0.03 0.63 -0.03 0.00 -1.45 0.00 0.00 41.25 40.37 2hdm s ASN 71 CO 0.36 -1.14 1.84 0.54 -3.72 0.00 0.00 177.10 174.98 2hdm s ASN 72 N -2.88 5.35 -1.00 -4.21 4.22 -1.26 -4.89 114.94 110.28 2hdm s ASN 72 Ca 0.09 -0.37 -0.20 0.00 -2.14 0.00 0.00 52.86 50.24 2hdm s ASN 72 Cb -0.03 -2.55 0.09 0.00 1.28 0.00 0.00 41.25 40.05 2hdm s ASN 72 CO -0.00 -2.47 1.31 -0.04 -2.04 0.00 0.00 177.10 173.86 2hdm s MET 73 N 6.79 3.63 -0.40 3.55 -1.94 -1.26 -4.95 119.30 124.72 2hdm s MET 73 Ca 0.65 -1.52 -0.21 0.00 -1.71 0.00 0.00 55.69 52.91 2hdm s MET 73 Cb -0.08 -5.15 0.01 0.00 2.01 0.00 0.00 34.83 31.62 2hdm s MET 73 CO 0.07 -1.99 0.65 0.42 -0.01 0.00 0.00 175.02 174.16 2hdm s ILE 74 N 3.74 4.84 -1.73 2.53 1.01 -1.26 -5.32 121.20 125.01 2hdm s ILE 74 Ca 0.40 0.36 0.14 0.00 0.00 0.00 0.00 60.65 61.55 2hdm s ILE 74 Cb -0.02 -4.15 0.11 0.00 0.01 0.00 0.00 42.46 38.41 2hdm s ILE 74 CO -0.09 -0.47 0.94 0.00 0.00 0.00 0.00 174.94 175.32