#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 4.83 0.00 1.61 7.64 -1.26 -3.33 113.62 123.12 2hdm n SER 3 Ca 0.00 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.86 2hdm n SER 3 Cb 0.00 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 61.66 2hdm n SER 3 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2hdm n GLU 4 N 4.83 0.00 -2.32 1.43 1.02 -1.26 -5.13 120.64 119.22 2hdm n GLU 4 Ca 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.54 2hdm n GLU 4 Cb 0.38 -0.13 -0.02 0.00 -0.02 0.00 0.00 31.44 31.65 2hdm n GLU 4 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2hdm n VAL 5 N -2.20 -9.85 -3.88 2.62 0.31 -1.21 -5.01 118.33 99.10 2hdm n VAL 5 Ca 0.00 1.78 -0.35 0.00 -0.01 0.00 0.00 64.34 65.76 2hdm n VAL 5 Cb 0.00 -5.87 -0.13 0.00 -0.91 0.00 0.00 33.84 26.93 2hdm n VAL 5 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2hdm s SER 6 N -0.73 4.98 0.45 4.52 0.01 -1.26 -4.92 113.70 116.74 2hdm s SER 6 Ca -0.13 -1.63 0.06 0.00 1.31 0.00 0.00 55.95 55.55 2hdm s SER 6 Cb 0.01 -1.73 -0.03 0.00 0.21 0.00 0.00 66.02 64.48 2hdm s SER 6 CO 0.57 -0.37 0.21 -0.62 0.41 0.00 0.00 173.24 173.45 2hdm s ASP 7 N 1.39 4.45 0.26 2.44 2.15 -1.26 -5.02 116.67 121.09 2hdm s ASP 7 Ca 0.01 -1.17 -0.01 0.00 0.43 0.00 0.00 52.55 51.81 2hdm s ASP 7 Cb -0.21 -0.19 0.48 0.00 -0.30 0.00 0.00 42.92 42.70 2hdm s ASP 7 CO -0.03 -0.70 1.83 0.07 -0.17 0.00 0.00 175.17 176.17 2hdm h LYS 8 N 1.27 0.89 -2.41 4.34 2.10 -1.98 -3.33 116.57 117.45 2hdm h LYS 8 Ca -0.42 -0.05 -0.53 0.00 -2.00 0.00 0.00 60.65 57.65 2hdm h LYS 8 Cb 1.27 -0.20 -0.37 0.00 -0.90 0.00 0.00 32.23 32.03 2hdm h LYS 8 CO 0.67 0.59 -0.81 1.03 -2.00 0.00 0.00 179.45 178.93 2hdm s ARG 9 N -6.00 0.58 0.19 0.07 0.52 -1.26 -3.46 118.95 109.59 2hdm s ARG 9 Ca -0.12 -1.24 0.09 0.00 -0.52 0.00 0.00 55.73 53.94 2hdm s ARG 9 Cb 0.21 -1.15 0.04 0.00 0.52 0.00 0.00 34.95 34.57 2hdm s ARG 9 CO 0.80 -1.21 1.43 1.15 0.02 0.00 0.00 175.30 177.48 2hdm h THR 10 N 5.00 1.58 -3.34 0.02 2.02 -1.92 -3.46 112.91 112.82 2hdm h THR 10 Ca 0.07 -2.84 -0.16 0.00 0.77 0.00 0.00 66.41 64.24 2hdm h THR 10 Cb 0.99 2.54 -0.24 0.00 -1.74 0.00 0.00 68.15 69.70 2hdm h THR 10 CO 0.25 0.81 -0.48 0.00 0.37 0.00 0.00 175.52 176.47 2hdm n VAL 12 N 2.30 0.00 -2.92 0.00 0.24 -1.26 -4.79 118.33 111.90 2hdm n VAL 12 Ca -0.17 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.34 61.45 2hdm n VAL 12 Cb 0.57 0.78 -0.04 0.00 -1.47 0.00 0.00 33.84 33.68 2hdm n VAL 12 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2hdm s SER 13 N -1.30 6.94 -0.06 -1.34 1.04 -1.26 -5.04 113.70 112.69 2hdm s SER 13 Ca 0.00 1.15 0.03 0.00 0.48 0.00 0.00 55.95 57.61 2hdm s SER 13 Cb 0.00 -2.44 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 2hdm s SER 13 CO 0.00 -0.36 -0.12 -0.76 0.98 0.00 0.00 173.24 172.98 2hdm s LEU 14 N 1.98 2.87 0.42 2.42 1.43 -1.26 -4.61 118.68 121.92 2hdm s LEU 14 Ca 0.38 -0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.41 2hdm s LEU 14 Cb -0.17 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.47 2hdm s LEU 14 CO 0.13 0.35 0.57 0.28 0.23 0.00 0.00 176.35 177.91 2hdm s THR 15 N -0.75 3.09 0.00 5.49 -1.32 -0.85 -4.92 115.64 116.39 2hdm s THR 15 Ca 0.12 -0.98 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 2hdm s THR 15 Cb -0.11 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.84 2hdm s THR 15 CO 0.01 -0.02 0.26 1.07 -2.21 0.00 0.00 174.62 173.73 2hdm n THR 16 N -1.85 0.00 -2.73 5.08 5.66 -1.26 -3.83 114.28 115.34 2hdm n THR 16 Ca 0.07 -0.32 -0.41 0.00 -3.05 0.00 0.00 64.05 60.34 2hdm n THR 16 Cb 0.59 1.29 -0.04 0.00 -1.55 0.00 0.00 70.33 70.62 2hdm n THR 16 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2hdm s GLN 17 N -0.12 4.63 0.43 1.09 1.11 -1.26 -5.01 119.66 120.52 2hdm s GLN 17 Ca 0.00 1.42 -0.07 0.00 0.01 0.00 0.00 55.36 56.72 2hdm s GLN 17 Cb 0.00 -3.42 -0.05 0.00 -1.01 0.00 0.00 33.01 28.54 2hdm s GLN 17 CO 0.00 0.09 0.75 1.03 0.01 0.00 0.00 175.29 177.17 2hdm s ARG 18 N 0.47 3.62 -0.03 2.91 0.52 -1.26 -5.09 118.95 120.10 2hdm s ARG 18 Ca 0.49 0.24 0.03 0.00 -0.52 0.00 0.00 55.73 55.97 2hdm s ARG 18 Cb -0.22 -2.42 -0.00 0.00 0.52 0.00 0.00 34.95 32.83 2hdm s ARG 18 CO 0.29 -0.09 -0.12 -0.51 0.02 0.00 0.00 175.30 174.89 2hdm s LEU 19 N -4.32 1.86 0.51 2.53 1.02 -1.26 -5.13 118.68 113.89 2hdm s LEU 19 Ca 0.48 -0.23 -0.21 0.00 0.02 0.00 0.00 54.13 54.18 2hdm s LEU 19 Cb -0.10 -0.67 -0.06 0.00 0.02 0.00 0.00 46.19 45.37 2hdm s LEU 19 CO 0.39 0.10 1.17 -2.16 0.02 0.00 0.00 176.35 175.86 2hdm s PRO 20 N 0.07 3.47 0.40 1.29 0.04 -1.26 -4.90 135.00 134.12 2hdm s PRO 20 Ca -0.02 1.74 0.28 0.00 0.04 0.00 0.00 61.00 63.04 2hdm s PRO 20 Cb -0.09 -2.18 1.43 0.00 0.04 0.00 0.00 34.50 33.70 2hdm s PRO 20 CO 0.01 -0.78 1.84 0.00 0.04 0.00 0.00 177.00 178.10 2hdm n SER 22 N -2.48 0.57 -0.80 0.00 2.88 -1.26 -2.17 113.62 110.36 2hdm n SER 22 Ca -0.01 0.63 0.12 0.00 -1.33 0.00 0.00 58.87 58.28 2hdm n SER 22 Cb 0.09 -0.76 0.11 0.00 -0.75 0.00 0.00 64.21 62.90 2hdm n SER 22 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2hdm n ARG 23 N -2.13 1.97 -2.92 -1.46 1.74 0.05 -4.90 116.66 109.01 2hdm n ARG 23 Ca 0.03 -1.60 -0.41 0.00 -0.77 0.00 0.00 57.85 55.10 2hdm n ARG 23 Cb 0.24 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.17 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 -2.13 4.92 -0.23 0.55 -1.09 -0.92 -2.59 121.20 119.70 2hdm s ILE 24 Ca 0.26 1.59 -0.04 0.00 -2.23 0.00 0.00 60.65 60.23 2hdm s ILE 24 Cb 0.20 -4.11 -0.13 0.00 -1.58 0.00 0.00 42.46 36.83 2hdm s ILE 24 CO 0.37 0.07 -0.24 1.17 -1.23 0.00 0.00 174.94 175.08 2hdm n LYS 25 N 4.94 0.55 -3.69 2.79 0.00 -0.44 -4.82 118.16 117.49 2hdm n LYS 25 Ca 0.03 0.17 -0.09 0.00 0.00 0.00 0.00 58.31 58.42 2hdm n LYS 25 Cb 0.49 -1.42 -0.02 0.00 0.00 0.00 0.00 35.03 34.08 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 -2.45 0.00 0.10 3.15 -1.32 -1.06 -5.03 115.64 109.03 2hdm s THR 26 Ca -0.32 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 2hdm s THR 26 Cb 0.10 -1.61 -0.04 0.00 -1.51 0.00 0.00 72.50 69.44 2hdm s THR 26 CO 0.49 0.00 -0.02 -0.72 -2.21 0.00 0.00 174.62 172.15 2hdm s TYR 27 N -3.80 0.81 -0.04 9.09 -0.85 -1.26 -0.37 117.35 120.92 2hdm s TYR 27 Ca 0.07 -1.04 -0.02 0.00 -0.52 0.00 0.00 57.07 55.57 2hdm s TYR 27 Cb -0.04 -0.49 0.03 0.00 0.38 0.00 0.00 41.96 41.84 2hdm s TYR 27 CO -0.01 -0.30 0.06 0.99 -1.52 0.00 0.00 175.55 174.78 2hdm s THR 28 N -3.80 -0.11 -0.20 -3.49 2.01 0.10 -4.96 115.64 105.19 2hdm s THR 28 Ca 0.14 0.37 -0.17 0.00 0.31 0.00 0.00 61.69 62.35 2hdm s THR 28 Cb 0.07 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.39 2hdm s THR 28 CO -0.04 0.16 0.44 -0.63 -0.69 0.00 0.00 174.62 173.86 2hdm s ILE 29 N 1.93 5.16 -0.13 1.82 1.01 -1.26 0.14 121.20 129.87 2hdm s ILE 29 Ca 0.02 0.80 -0.02 0.00 0.00 0.00 0.00 60.65 61.44 2hdm s ILE 29 Cb -0.12 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2hdm s ILE 29 CO -0.03 0.22 -0.04 0.42 0.00 0.00 0.00 174.94 175.50 2hdm s THR 30 N 1.45 3.86 -0.02 2.92 -4.23 0.58 -4.97 115.64 115.24 2hdm s THR 30 Ca 0.21 -0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.35 2hdm s THR 30 Cb -0.15 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.04 2hdm s THR 30 CO 0.09 0.53 -0.07 -1.83 -0.54 0.00 0.00 174.62 172.80 2hdm s GLU 31 N -0.01 0.73 0.00 3.99 -1.05 -1.23 -1.10 118.70 120.04 2hdm s GLU 31 Ca 0.01 -0.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.61 2hdm s GLU 31 Cb -0.13 -0.71 0.00 0.00 -0.44 0.00 0.00 34.13 32.84 2hdm s GLU 31 CO 0.03 0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.72 2hdm n GLY 32 N 3.33 1.65 0.14 -3.83 0.00 -1.26 -4.84 105.19 100.38 2hdm n GLY 32 Ca -0.18 0.32 0.15 0.00 0.00 0.00 0.00 46.02 46.31 2hdm n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hdm n SER 33 N 0.00 0.50 -3.70 1.61 7.64 -1.26 -4.73 113.62 113.69 2hdm n SER 33 Ca 0.00 -0.78 -0.11 0.00 1.01 0.00 0.00 58.87 58.99 2hdm n SER 33 Cb 0.00 -0.06 -0.10 0.00 -1.01 0.00 0.00 64.21 63.04 2hdm n SER 33 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2hdm s LEU 34 N -2.31 -0.03 -0.17 -3.43 0.20 -1.26 -5.15 118.68 106.54 2hdm s LEU 34 Ca 0.34 0.96 -0.06 0.00 0.69 0.00 0.00 54.13 56.06 2hdm s LEU 34 Cb 0.21 1.53 -0.04 0.00 -0.43 0.00 0.00 46.19 47.46 2hdm s LEU 34 CO 0.43 -0.18 0.05 -0.13 -0.29 0.00 0.00 176.35 176.23 2hdm s ARG 35 N 0.93 3.82 -0.04 1.98 0.52 -1.26 -4.30 118.95 120.60 2hdm s ARG 35 Ca -0.06 -0.35 0.01 0.00 -0.52 0.00 0.00 55.73 54.82 2hdm s ARG 35 Cb -0.06 -3.14 0.02 0.00 0.52 0.00 0.00 34.95 32.29 2hdm s ARG 35 CO -0.08 0.35 -0.06 0.00 0.02 0.00 0.00 175.30 175.53 2hdm s ALA 36 N 0.15 0.73 -0.36 2.13 0.00 -0.26 -4.50 121.76 119.65 2hdm s ALA 36 Ca 0.04 -0.13 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 2hdm s ALA 36 Cb -0.12 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 2hdm s ALA 36 CO 0.01 0.04 0.39 0.08 0.00 0.00 0.00 175.76 176.28 2hdm s VAL 37 N 0.69 5.13 -0.36 0.00 1.01 0.25 -0.31 120.40 126.81 2hdm s VAL 37 Ca -0.10 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 2hdm s VAL 37 Cb -0.13 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 2hdm s VAL 37 CO 0.01 -0.17 0.37 -0.63 0.00 0.00 0.00 175.10 174.67 2hdm s ILE 38 N 2.09 5.16 -0.14 2.22 1.01 0.12 -0.02 121.20 131.65 2hdm s ILE 38 Ca 0.13 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.55 2hdm s ILE 38 Cb -0.16 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 2hdm s ILE 38 CO 0.12 -0.17 0.26 -0.36 0.00 0.00 0.00 174.94 174.79 2hdm s PHE 39 N 2.00 3.51 -0.22 3.97 0.08 0.92 0.00 117.98 128.25 2hdm s PHE 39 Ca 0.11 0.60 -0.05 0.00 0.12 0.00 0.00 56.93 57.70 2hdm s PHE 39 Cb -0.17 -2.24 -0.02 0.00 -0.57 0.00 0.00 43.02 40.02 2hdm s PHE 39 CO 0.12 0.39 0.01 0.42 -0.10 0.00 0.00 175.22 176.06 2hdm s ILE 40 N -0.02 3.87 0.89 0.64 -1.09 0.50 0.28 121.20 126.27 2hdm s ILE 40 Ca 0.16 -0.33 -0.12 0.00 -2.23 0.00 0.00 60.65 58.13 2hdm s ILE 40 Cb -0.13 -2.77 0.13 0.00 -1.58 0.00 0.00 42.46 38.11 2hdm s ILE 40 CO 0.04 0.40 1.14 0.42 -1.23 0.00 0.00 174.94 175.71 2hdm s THR 41 N 1.35 2.01 -1.08 2.92 -4.23 -0.43 -1.33 115.64 114.85 2hdm s THR 41 Ca 0.04 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.70 2hdm s THR 41 Cb -0.15 -2.79 0.14 0.00 1.34 0.00 0.00 72.50 71.05 2hdm s THR 41 CO 0.01 -0.00 1.44 0.29 -0.54 0.00 0.00 174.62 175.82 2hdm n LYS 42 N -3.69 0.04 0.06 3.99 5.02 -1.07 -1.01 118.16 121.50 2hdm n LYS 42 Ca 0.07 0.24 0.12 0.00 -2.02 0.00 0.00 58.31 56.72 2hdm n LYS 42 Cb 0.59 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.37 2hdm n LYS 42 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2hdm n ARG 43 N -1.46 0.24 -0.36 1.97 1.74 -1.26 -4.93 116.66 112.60 2hdm n ARG 43 Ca 0.04 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2hdm n ARG 43 Cb 0.16 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 2hdm n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hdm n GLY 44 N 1.35 0.80 3.90 -0.13 0.00 -0.18 -5.06 105.19 105.87 2hdm n GLY 44 Ca 0.04 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 4.28 -0.30 0.99 1.43 -1.26 -4.87 118.68 118.96 2hdm s LEU 45 Ca 0.00 0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 53.57 2hdm s LEU 45 Cb 0.00 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 2hdm s LEU 45 CO 0.00 0.08 0.19 -0.54 0.23 0.00 0.00 176.35 176.31 2hdm s LYS 46 N -2.56 3.77 0.08 1.70 1.02 -1.26 -1.31 119.74 121.19 2hdm s LYS 46 Ca 0.39 -0.44 0.07 0.00 0.02 0.00 0.00 55.97 56.01 2hdm s LYS 46 Cb -0.12 -3.68 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 2hdm s LYS 46 CO 0.24 -0.27 -0.11 0.08 -0.92 0.00 0.00 175.35 174.37 2hdm s VAL 47 N 1.73 3.29 -0.12 3.17 1.01 0.14 -4.98 120.40 124.66 2hdm s VAL 47 Ca 0.07 -1.21 0.03 0.00 0.00 0.00 0.00 61.98 60.86 2hdm s VAL 47 Cb -0.16 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.72 2hdm s VAL 47 CO 0.10 0.17 -0.20 0.00 0.00 0.00 0.00 175.10 175.18 2hdm s ALA 49 N 0.77 0.90 -0.05 0.00 0.00 0.98 -2.00 121.76 122.35 2hdm s ALA 49 Ca -0.10 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 2hdm s ALA 49 Cb -0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2hdm s ALA 49 CO 0.01 0.06 1.01 0.34 0.00 0.00 0.00 175.76 177.18 2hdm s ASP 50 N -1.76 7.28 0.34 0.00 2.15 -1.25 -0.59 116.67 122.85 2hdm s ASP 50 Ca -0.05 1.62 0.25 0.00 0.43 0.00 0.00 52.55 54.80 2hdm s ASP 50 Cb -0.09 -2.56 1.21 0.00 -0.30 0.00 0.00 42.92 41.18 2hdm s ASP 50 CO 0.01 -0.38 1.77 1.55 -0.17 0.00 0.00 175.17 177.95 2hdm h PRO 51 N 6.99 0.00 0.00 4.34 0.13 -1.92 -1.93 132.00 139.61 2hdm h PRO 51 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2hdm h PRO 51 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2hdm h PRO 51 CO 0.81 0.00 -0.54 1.04 -0.23 0.00 0.00 178.00 179.09 2hdm n GLN 52 N -2.39 0.09 -2.14 0.86 1.13 -1.26 -4.44 117.38 109.23 2hdm n GLN 52 Ca 0.00 0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.67 2hdm n GLN 52 Cb 0.14 -1.55 -0.03 0.00 0.11 0.00 0.00 30.24 28.91 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 -3.05 3.58 0.42 -1.58 0.00 -0.73 -4.91 121.76 115.49 2hdm s ALA 53 Ca 0.10 1.18 0.09 0.00 0.00 0.00 0.00 51.96 53.32 2hdm s ALA 53 Cb 0.16 -3.52 0.89 0.00 0.00 0.00 0.00 23.12 20.66 2hdm s ALA 53 CO 0.70 -0.62 2.02 1.15 0.00 0.00 0.00 175.76 179.02 2hdm h THR 54 N 3.81 1.11 -0.02 0.00 2.02 -1.88 -1.09 112.91 116.85 2hdm h THR 54 Ca -0.44 -0.35 -0.17 0.00 0.77 0.00 0.00 66.41 66.21 2hdm h THR 54 Cb 1.21 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2hdm h THR 54 CO 0.80 0.13 -0.76 4.11 0.37 0.00 0.00 175.52 180.17 2hdm h TRP 55 N 0.37 0.25 -0.10 3.16 5.08 -1.94 -0.18 115.95 122.60 2hdm h TRP 55 Ca 0.09 -0.12 -0.02 0.00 1.08 0.00 0.00 58.89 59.92 2hdm h TRP 55 Cb 0.09 -0.04 -0.00 0.00 -3.00 0.00 0.00 29.16 26.21 2hdm h TRP 55 CO 0.00 0.87 -0.02 0.28 -1.28 0.00 0.00 178.44 178.30 2hdm h VAL 56 N 0.12 1.28 -0.15 0.12 2.07 -1.62 -0.54 116.25 117.53 2hdm h VAL 56 Ca -0.03 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 2hdm h VAL 56 Cb 1.33 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 2hdm h VAL 56 CO 0.11 0.26 0.07 0.03 0.02 0.00 0.00 177.57 178.07 2hdm h ARG 57 N -0.12 0.20 -0.21 1.57 3.08 -1.10 0.67 114.38 118.47 2hdm h ARG 57 Ca 0.03 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 2hdm h ARG 57 Cb 0.41 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2hdm h ARG 57 CO 0.01 0.16 -0.09 0.22 -1.07 0.00 0.00 179.97 179.20 2hdm h ASP 58 N 0.21 0.45 0.13 7.04 3.58 -0.61 -2.92 116.42 124.30 2hdm h ASP 58 Ca 0.05 -0.40 -0.27 0.00 0.42 0.00 0.00 57.03 56.83 2hdm h ASP 58 Cb 0.02 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2hdm h ASP 58 CO -0.01 0.75 -1.36 0.00 -2.88 0.00 0.00 179.24 175.74 2hdm h VAL 60 N -0.26 0.84 0.06 0.00 3.04 0.20 0.41 116.25 120.54 2hdm h VAL 60 Ca -0.28 -0.50 -0.32 0.00 -1.01 0.00 0.00 66.70 64.59 2hdm h VAL 60 Cb 1.79 1.29 -0.03 0.00 -2.01 0.00 0.00 31.29 32.33 2hdm h VAL 60 CO 0.09 0.13 -1.80 0.03 -1.01 0.00 0.00 177.57 175.02 2hdm h ARG 61 N 0.00 0.13 -0.57 4.17 3.08 -1.64 -3.12 114.38 116.43 2hdm h ARG 61 Ca -0.00 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 2hdm h ARG 61 Cb 0.28 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 2hdm h ARG 61 CO 0.02 0.84 0.32 1.03 -1.07 0.00 0.00 179.97 181.11 2hdm h SER 62 N 0.04 0.70 -0.95 7.04 0.87 -1.05 0.27 113.55 120.47 2hdm h SER 62 Ca -0.33 -0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.17 2hdm h SER 62 Cb 2.02 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 63.75 2hdm h SER 62 CO 0.09 0.57 0.63 0.24 -0.53 0.00 0.00 176.83 177.83 2hdm h MET 63 N 0.76 1.20 -0.25 2.24 2.86 -1.05 0.31 114.93 121.00 2hdm h MET 63 Ca 0.20 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 2hdm h MET 63 Cb 0.02 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 2hdm h MET 63 CO -0.03 0.79 -0.14 0.22 1.06 0.00 0.00 176.91 178.81 2hdm h ASP 64 N 1.23 0.56 0.31 1.22 3.58 -1.36 -3.06 116.42 118.90 2hdm h ASP 64 Ca 0.37 -0.42 -0.04 0.00 0.42 0.00 0.00 57.03 57.36 2hdm h ASP 64 Cb -0.06 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 2hdm h ASP 64 CO -0.10 0.86 -0.19 -0.09 -2.88 0.00 0.00 179.24 176.84 2hdm h ARG 65 N 0.27 0.00 0.00 0.28 2.43 0.32 -1.08 114.38 116.59 2hdm h ARG 65 Ca 0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2hdm h ARG 65 Cb 0.66 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2hdm h ARG 65 CO 0.04 0.19 -0.06 0.87 -1.51 0.00 0.00 179.97 179.49 2hdm h LYS 66 N 0.00 0.00 0.00 0.20 1.57 -0.30 -0.98 116.57 117.06 2hdm h LYS 66 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hdm h LYS 66 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2hdm h LYS 66 CO 0.02 0.06 0.00 1.03 -0.57 0.00 0.00 179.45 180.00 2hdm h SER 67 N 0.00 0.00 -2.55 0.86 0.87 -1.26 -3.45 113.55 108.02 2hdm h SER 67 Ca -0.00 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.02 2hdm h SER 67 Cb 0.15 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 2hdm h SER 67 CO 0.01 0.00 -0.48 0.21 -0.53 0.00 0.00 176.83 176.03 2hdm s ASN 68 N -5.78 6.16 -0.04 6.23 2.47 -0.37 -5.05 114.94 118.56 2hdm s ASN 68 Ca 0.07 0.10 -0.30 0.00 0.42 0.00 0.00 52.86 53.15 2hdm s ASN 68 Cb 0.07 -1.80 -0.05 0.00 -1.45 0.00 0.00 41.25 38.02 2hdm s ASN 68 CO 0.64 0.05 1.44 0.42 -3.72 0.00 0.00 177.10 175.92 2hdm s THR 69 N -1.77 3.78 -0.04 -5.21 -4.23 -1.26 -4.93 115.64 101.98 2hdm s THR 69 Ca 0.34 1.08 -0.02 0.00 -1.18 0.00 0.00 61.69 61.91 2hdm s THR 69 Cb -0.11 -3.70 0.03 0.00 1.34 0.00 0.00 72.50 70.07 2hdm s THR 69 CO 0.27 -0.04 0.08 0.00 -0.54 0.00 0.00 174.62 174.39 2hdm s ARG 70 N 2.99 -0.03 -0.07 3.99 1.70 -1.26 -5.10 118.95 121.16 2hdm s ARG 70 Ca 0.64 0.35 -0.20 0.00 -0.47 0.00 0.00 55.73 56.05 2hdm s ARG 70 Cb -0.30 -0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 33.69 2hdm s ARG 70 CO 0.25 -0.26 0.56 1.21 -1.08 0.00 0.00 175.30 175.98 2hdm s ASN 71 N 1.73 6.84 0.78 -2.89 2.47 -1.26 -5.06 114.94 117.54 2hdm s ASN 71 Ca -0.01 1.00 -0.04 0.00 0.42 0.00 0.00 52.86 54.23 2hdm s ASN 71 Cb -0.12 -2.34 0.15 0.00 -1.45 0.00 0.00 41.25 37.49 2hdm s ASN 71 CO -0.04 0.01 1.00 -0.46 -3.72 0.00 0.00 177.10 173.89 2hdm n ASN 72 N 3.39 0.99 -4.59 -4.21 0.23 -1.26 -4.98 115.26 104.83 2hdm n ASN 72 Ca -0.06 -1.92 -0.42 0.00 -0.53 0.00 0.00 54.58 51.65 2hdm n ASN 72 Cb 0.51 -0.68 -0.03 0.00 -2.08 0.00 0.00 39.78 37.51 2hdm n ASN 72 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2hdm s MET 73 N -5.09 3.33 -0.12 -3.83 -2.45 -1.26 -4.92 119.30 104.96 2hdm s MET 73 Ca 0.63 0.84 -0.29 0.00 -1.25 0.00 0.00 55.69 55.62 2hdm s MET 73 Cb -0.03 -4.13 -0.06 0.00 1.25 0.00 0.00 34.83 31.85 2hdm s MET 73 CO 0.43 -1.87 2.07 0.42 1.05 0.00 0.00 175.02 177.12 2hdm s ILE 74 N 6.32 3.07 0.00 10.11 -1.09 -1.26 -5.36 121.20 132.99 2hdm s ILE 74 Ca 0.63 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 59.12 2hdm s ILE 74 Cb -0.14 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 2hdm s ILE 74 CO 0.29 -0.03 0.33 1.67 -1.23 0.00 0.00 174.94 175.97