#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 -0.21 0.00 1.61 0.02 -2.13 -3.43 113.55 109.40 2hdm h SER 3 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2hdm h SER 3 Cb 0.00 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2hdm h SER 3 CO 0.00 -0.12 -0.32 -0.62 -1.14 0.00 0.00 176.83 174.63 2hdm n GLU 4 N -2.84 0.17 -3.23 3.45 -0.58 -1.26 -5.07 120.64 111.28 2hdm n GLU 4 Ca -0.03 0.07 -0.15 0.00 -0.42 0.00 0.00 57.16 56.62 2hdm n GLU 4 Cb 0.10 -0.74 0.01 0.00 -0.57 0.00 0.00 31.44 30.24 2hdm n GLU 4 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2hdm n VAL 5 N -3.21 -7.91 -3.64 2.62 0.31 -1.26 -5.03 118.33 100.21 2hdm n VAL 5 Ca -0.04 0.22 -0.02 0.00 -0.01 0.00 0.00 64.34 64.48 2hdm n VAL 5 Cb 0.17 -5.61 -0.02 0.00 -0.91 0.00 0.00 33.84 27.46 2hdm n VAL 5 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2hdm s SER 6 N -2.57 -0.03 -0.58 4.52 1.04 -1.26 -5.10 113.70 109.73 2hdm s SER 6 Ca 0.15 0.01 -0.16 0.00 0.48 0.00 0.00 55.95 56.43 2hdm s SER 6 Cb -0.03 0.03 0.14 0.00 0.10 0.00 0.00 66.02 66.26 2hdm s SER 6 CO 0.81 -0.05 0.55 -0.62 0.98 0.00 0.00 173.24 174.92 2hdm s ASP 7 N -1.84 6.25 0.51 7.02 2.15 -1.26 -5.01 116.67 124.50 2hdm s ASP 7 Ca 0.11 -1.85 0.04 0.00 0.43 0.00 0.00 52.55 51.27 2hdm s ASP 7 Cb -0.01 -2.22 0.01 0.00 -0.30 0.00 0.00 42.92 40.40 2hdm s ASP 7 CO -0.04 -0.86 0.20 -1.59 -0.17 0.00 0.00 175.17 172.72 2hdm s LYS 8 N 1.56 2.22 -0.57 4.34 -2.85 -1.26 -5.04 119.74 118.14 2hdm s LYS 8 Ca 0.06 -2.16 -0.27 0.00 -1.00 0.00 0.00 55.97 52.59 2hdm s LYS 8 Cb -0.27 -1.84 0.00 0.00 -2.06 0.00 0.00 37.83 33.66 2hdm s LYS 8 CO 0.02 -0.45 1.59 -0.98 0.10 0.00 0.00 175.35 175.63 2hdm s ARG 9 N -4.06 3.08 -0.04 1.78 1.70 -1.26 -4.93 118.95 115.22 2hdm s ARG 9 Ca 0.23 0.55 0.01 0.00 -0.47 0.00 0.00 55.73 56.05 2hdm s ARG 9 Cb 0.00 -4.22 0.02 0.00 -0.57 0.00 0.00 34.95 30.18 2hdm s ARG 9 CO 0.14 -2.20 -0.06 0.99 -1.08 0.00 0.00 175.30 173.08 2hdm s THR 10 N 7.09 0.63 0.02 4.99 2.01 -1.26 -5.13 115.64 123.99 2hdm s THR 10 Ca 0.59 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 62.42 2hdm s THR 10 Cb -0.12 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.75 2hdm s THR 10 CO 0.24 0.23 -0.13 0.00 -0.69 0.00 0.00 174.62 174.27 2hdm h VAL 12 N 4.62 0.00 -1.27 0.00 2.07 -1.93 -3.51 116.25 116.23 2hdm h VAL 12 Ca -0.36 -0.25 0.32 0.00 0.82 0.00 0.00 66.70 67.24 2hdm h VAL 12 Cb 1.18 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.79 2hdm h VAL 12 CO 0.45 0.00 0.89 -0.94 0.02 0.00 0.00 177.57 178.00 2hdm s SER 13 N -3.92 -0.06 -0.66 0.57 1.04 -1.26 -5.08 113.70 104.34 2hdm s SER 13 Ca -0.02 -0.04 -0.27 0.00 0.48 0.00 0.00 55.95 56.09 2hdm s SER 13 Cb 0.00 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.24 2hdm s SER 13 CO 0.04 -0.16 1.31 -0.76 0.98 0.00 0.00 173.24 174.65 2hdm s LEU 14 N -2.55 3.29 -0.13 2.42 1.02 -1.26 -3.73 118.68 117.74 2hdm s LEU 14 Ca 0.12 -0.12 -0.29 0.00 0.02 0.00 0.00 54.13 53.86 2hdm s LEU 14 Cb 0.03 -2.82 -0.01 0.00 0.02 0.00 0.00 46.19 43.41 2hdm s LEU 14 CO -0.04 -1.74 1.07 -0.89 0.02 0.00 0.00 176.35 174.76 2hdm s THR 15 N 5.75 4.63 -1.41 5.49 2.01 0.22 -4.76 115.64 127.56 2hdm s THR 15 Ca 0.42 1.93 0.18 0.00 0.31 0.00 0.00 61.69 64.53 2hdm s THR 15 Cb -0.09 -4.24 -0.07 0.00 0.01 0.00 0.00 72.50 68.11 2hdm s THR 15 CO 0.20 -0.05 0.89 0.35 -0.69 0.00 0.00 174.62 175.32 2hdm n THR 16 N 4.80 0.00 -2.30 -0.82 -2.24 -1.26 -3.33 114.28 109.13 2hdm n THR 16 Ca 0.10 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.27 2hdm n THR 16 Cb 0.47 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.82 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 -2.34 4.19 -0.18 -0.78 -2.07 -1.26 -4.95 119.66 112.26 2hdm s GLN 17 Ca 0.12 1.88 -0.21 0.00 -1.82 0.00 0.00 55.36 55.33 2hdm s GLN 17 Cb 0.15 -2.80 -0.03 0.00 -1.09 0.00 0.00 33.01 29.24 2hdm s GLN 17 CO 0.57 -0.22 0.64 1.03 -1.32 0.00 0.00 175.29 175.99 2hdm s ARG 18 N -2.11 4.24 -0.12 9.60 0.52 -1.26 -5.04 118.95 124.79 2hdm s ARG 18 Ca 0.54 0.66 -0.05 0.00 -0.52 0.00 0.00 55.73 56.35 2hdm s ARG 18 Cb -0.32 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.55 2hdm s ARG 18 CO 0.41 -0.20 0.08 -0.51 0.02 0.00 0.00 175.30 175.10 2hdm s LEU 19 N 1.77 4.03 0.41 2.53 1.02 -1.26 -5.08 118.68 122.09 2hdm s LEU 19 Ca 0.30 0.30 -0.26 0.00 0.02 0.00 0.00 54.13 54.49 2hdm s LEU 19 Cb -0.16 -1.97 -0.09 0.00 0.02 0.00 0.00 46.19 43.99 2hdm s LEU 19 CO 0.11 0.36 1.33 -2.16 0.02 0.00 0.00 176.35 176.01 2hdm s PRO 20 N -0.75 3.92 0.63 1.29 0.04 -1.26 -4.88 135.00 133.99 2hdm s PRO 20 Ca 0.13 2.22 0.37 0.00 0.04 0.00 0.00 61.00 63.76 2hdm s PRO 20 Cb -0.12 -2.75 2.12 0.00 0.04 0.00 0.00 34.50 33.80 2hdm s PRO 20 CO 0.03 -0.56 2.32 0.00 0.04 0.00 0.00 177.00 178.83 2hdm h SER 22 N 0.00 0.00 -0.25 0.00 0.02 -2.00 -1.89 113.55 109.42 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 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2hdm h SER 22 CO 0.00 0.01 0.00 0.54 -1.14 0.00 0.00 176.83 176.24 2hdm n ARG 23 N -3.12 2.06 -2.78 3.45 1.74 0.02 -4.91 116.66 113.12 2hdm n ARG 23 Ca -0.01 -1.93 -0.42 0.00 -0.77 0.00 0.00 57.85 54.72 2hdm n ARG 23 Cb 0.17 -1.39 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 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 -1.30 4.87 -0.25 0.55 -1.09 -0.71 -1.34 121.20 121.93 2hdm s ILE 24 Ca 0.28 1.91 -0.11 0.00 -2.23 0.00 0.00 60.65 60.50 2hdm s ILE 24 Cb 0.17 -4.25 -0.16 0.00 -1.58 0.00 0.00 42.46 36.64 2hdm s ILE 24 CO 0.24 0.11 -0.17 1.17 -1.23 0.00 0.00 174.94 175.07 2hdm n LYS 25 N 4.36 0.62 -3.65 2.79 0.00 0.51 -4.79 118.16 118.00 2hdm n LYS 25 Ca 0.05 0.29 -0.07 0.00 0.00 0.00 0.00 58.31 58.59 2hdm n LYS 25 Cb 0.50 -1.56 -0.02 0.00 0.00 0.00 0.00 35.03 33.95 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 -2.49 0.00 0.14 3.15 -1.32 -1.17 -4.99 115.64 108.96 2hdm s THR 26 Ca -0.35 -0.41 0.03 0.00 -1.21 0.00 0.00 61.69 59.75 2hdm s THR 26 Cb 0.11 -1.55 -0.04 0.00 -1.51 0.00 0.00 72.50 69.50 2hdm s THR 26 CO 0.56 0.00 -0.05 -0.72 -2.21 0.00 0.00 174.62 172.20 2hdm s TYR 27 N -3.37 1.15 -0.07 9.09 -0.85 -1.26 -0.86 117.35 121.18 2hdm s TYR 27 Ca 0.08 -0.90 -0.03 0.00 -0.52 0.00 0.00 57.07 55.71 2hdm s TYR 27 Cb -0.02 -0.63 0.04 0.00 0.38 0.00 0.00 41.96 41.73 2hdm s TYR 27 CO -0.03 -0.09 0.07 0.99 -1.52 0.00 0.00 175.55 174.97 2hdm s THR 28 N -3.53 -0.10 -0.08 -3.49 2.01 0.56 -4.92 115.64 106.09 2hdm s THR 28 Ca 0.18 0.27 -0.18 0.00 0.31 0.00 0.00 61.69 62.27 2hdm s THR 28 Cb 0.05 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 2hdm s THR 28 CO 0.00 0.06 0.50 -0.63 -0.69 0.00 0.00 174.62 173.86 2hdm s ILE 29 N 2.16 5.10 -0.00 1.82 1.01 -1.26 0.18 121.20 130.21 2hdm s ILE 29 Ca 0.04 1.01 0.05 0.00 0.00 0.00 0.00 60.65 61.75 2hdm s ILE 29 Cb -0.13 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 2hdm s ILE 29 CO -0.05 0.38 -0.13 0.42 0.00 0.00 0.00 174.94 175.57 2hdm s THR 30 N 0.20 3.19 -0.01 2.92 -4.23 -0.39 -4.98 115.64 112.34 2hdm s THR 30 Ca 0.27 -0.88 -0.02 0.00 -1.18 0.00 0.00 61.69 59.88 2hdm s THR 30 Cb -0.16 -2.33 -0.00 0.00 1.34 0.00 0.00 72.50 71.35 2hdm s THR 30 CO 0.12 0.44 0.03 -1.83 -0.54 0.00 0.00 174.62 172.85 2hdm s GLU 31 N -1.19 0.14 0.00 3.99 -1.05 -1.23 -3.42 118.70 115.94 2hdm s GLU 31 Ca 0.14 -0.13 0.00 0.00 -0.15 0.00 0.00 54.97 54.83 2hdm s GLU 31 Cb -0.11 0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.64 2hdm s GLU 31 CO 0.04 -0.02 0.00 0.41 0.95 0.00 0.00 175.26 176.64 2hdm n GLY 32 N 2.61 -0.30 0.11 -3.83 0.00 -1.26 -4.83 105.19 97.68 2hdm n GLY 32 Ca -0.16 0.12 -0.13 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 1.30 -4.28 1.61 2.88 -1.26 -4.90 113.62 108.97 2hdm n SER 33 Ca 0.00 -0.07 -0.33 0.00 -1.33 0.00 0.00 58.87 57.14 2hdm n SER 33 Cb 0.00 0.24 -0.15 0.00 -0.75 0.00 0.00 64.21 63.55 2hdm n SER 33 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2hdm s LEU 34 N -5.94 2.49 -0.32 2.46 2.96 -1.26 -5.08 118.68 113.99 2hdm s LEU 34 Ca -0.22 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.22 2hdm s LEU 34 Cb 0.07 -1.56 0.06 0.00 0.50 0.00 0.00 46.19 45.26 2hdm s LEU 34 CO 0.66 0.11 0.04 -0.13 -1.32 0.00 0.00 176.35 175.70 2hdm s ARG 35 N 0.68 2.32 0.00 1.98 0.52 -1.26 -3.58 118.95 119.62 2hdm s ARG 35 Ca -0.08 -1.38 -0.09 0.00 -0.52 0.00 0.00 55.73 53.66 2hdm s ARG 35 Cb -0.16 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.06 2hdm s ARG 35 CO 0.02 -0.71 0.17 0.00 0.02 0.00 0.00 175.30 174.80 2hdm s ALA 36 N 1.22 -0.39 -0.37 2.13 0.00 -1.22 -4.70 121.76 118.43 2hdm s ALA 36 Ca -0.02 -0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.68 2hdm s ALA 36 Cb -0.20 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 2hdm s ALA 36 CO -0.02 -0.23 0.40 0.08 0.00 0.00 0.00 175.76 175.99 2hdm s VAL 37 N -1.52 5.12 -0.41 0.00 1.01 -0.18 -1.26 120.40 123.16 2hdm s VAL 37 Ca -0.14 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 2hdm s VAL 37 Cb -0.07 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.43 2hdm s VAL 37 CO 0.01 -0.21 0.57 -0.63 0.00 0.00 0.00 175.10 174.84 2hdm s ILE 38 N 2.10 4.93 -0.17 2.22 1.01 0.13 0.18 121.20 131.60 2hdm s ILE 38 Ca 0.13 0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.76 2hdm s ILE 38 Cb -0.17 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 2hdm s ILE 38 CO 0.12 -0.46 0.11 -0.36 0.00 0.00 0.00 174.94 174.35 2hdm s PHE 39 N 2.56 3.40 -0.22 3.97 0.08 0.13 -0.32 117.98 127.58 2hdm s PHE 39 Ca 0.19 0.30 -0.11 0.00 0.12 0.00 0.00 56.93 57.43 2hdm s PHE 39 Cb -0.15 -2.08 -0.05 0.00 -0.57 0.00 0.00 43.02 40.17 2hdm s PHE 39 CO 0.16 0.36 0.20 0.42 -0.10 0.00 0.00 175.22 176.26 2hdm s ILE 40 N 0.02 5.34 0.54 0.64 -1.09 -0.04 -0.35 121.20 126.27 2hdm s ILE 40 Ca 0.08 0.28 -0.08 0.00 -2.23 0.00 0.00 60.65 58.70 2hdm s ILE 40 Cb -0.12 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 2hdm s ILE 40 CO -0.00 0.35 0.89 0.28 -1.23 0.00 0.00 174.94 175.22 2hdm s THR 41 N 0.95 4.81 -1.07 2.92 -1.32 0.05 -0.36 115.64 121.61 2hdm s THR 41 Ca 0.10 0.47 0.11 0.00 -1.21 0.00 0.00 61.69 61.16 2hdm s THR 41 Cb -0.13 -3.86 0.11 0.00 -1.51 0.00 0.00 72.50 67.11 2hdm s THR 41 CO 0.04 -0.96 1.34 0.29 -2.21 0.00 0.00 174.62 173.12 2hdm n LYS 42 N -2.46 0.03 0.00 7.08 5.02 -0.45 -0.52 118.16 126.86 2hdm n LYS 42 Ca 0.03 0.29 0.11 0.00 -2.02 0.00 0.00 58.31 56.71 2hdm n LYS 42 Cb 0.55 -1.50 0.48 0.00 -0.02 0.00 0.00 35.03 34.54 2hdm n LYS 42 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2hdm n ARG 43 N -1.46 0.01 -0.45 1.97 0.63 -1.26 -4.88 116.66 111.21 2hdm n ARG 43 Ca 0.03 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 2hdm n ARG 43 Cb 0.12 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.52 2hdm n ARG 43 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2hdm n GLY 44 N 0.83 0.76 3.94 5.14 0.00 0.32 -5.04 105.19 111.14 2hdm n GLY 44 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 4.33 -0.25 0.99 1.43 -1.24 -4.90 118.68 119.04 2hdm s LEU 45 Ca 0.00 0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 53.25 2hdm s LEU 45 Cb 0.00 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.27 2hdm s LEU 45 CO 0.00 0.06 0.02 -0.75 0.23 0.00 0.00 176.35 175.91 2hdm s LYS 46 N -3.16 3.34 0.13 1.70 2.20 -1.26 -0.77 119.74 121.91 2hdm s LYS 46 Ca 0.35 -0.67 0.10 0.00 -0.36 0.00 0.00 55.97 55.38 2hdm s LYS 46 Cb -0.11 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 2hdm s LYS 46 CO 0.28 -0.28 -0.24 0.08 -0.36 0.00 0.00 175.35 174.84 2hdm s VAL 47 N 1.51 2.03 -0.07 4.02 1.01 0.53 -4.73 120.40 124.71 2hdm s VAL 47 Ca 0.05 -1.73 0.06 0.00 0.00 0.00 0.00 61.98 60.35 2hdm s VAL 47 Cb -0.15 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 2hdm s VAL 47 CO 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 175.10 174.82 2hdm s ALA 49 N -0.05 1.65 -0.19 0.00 0.00 0.13 0.71 121.76 124.00 2hdm s ALA 49 Ca -0.07 -1.28 -0.29 0.00 0.00 0.00 0.00 51.96 50.32 2hdm s ALA 49 Cb -0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 2hdm s ALA 49 CO 0.05 0.22 1.30 0.34 0.00 0.00 0.00 175.76 177.67 2hdm s ASP 50 N -2.23 6.86 0.50 0.00 2.15 -1.21 -1.01 116.67 121.73 2hdm s ASP 50 Ca 0.08 1.63 0.22 0.00 0.43 0.00 0.00 52.55 54.90 2hdm s ASP 50 Cb -0.07 -2.54 1.29 0.00 -0.30 0.00 0.00 42.92 41.30 2hdm s ASP 50 CO 0.04 -0.85 1.99 -0.65 -0.17 0.00 0.00 175.17 175.54 2hdm h PRO 51 N 8.57 0.11 -0.01 4.34 0.11 -1.91 -2.22 132.00 140.98 2hdm h PRO 51 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2hdm h PRO 51 Cb 1.11 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2hdm h PRO 51 CO 0.98 0.07 -0.19 0.00 -0.21 0.00 0.00 178.00 178.65 2hdm n GLN 52 N -4.41 1.13 -2.01 1.05 10.64 -1.26 -4.27 117.38 118.25 2hdm n GLN 52 Ca 0.10 -0.70 -0.42 0.00 -1.83 0.00 0.00 57.00 54.15 2hdm n GLN 52 Cb 0.53 -1.49 -0.03 0.00 -0.86 0.00 0.00 30.24 28.40 2hdm n GLN 52 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2hdm s ALA 53 N -2.35 3.71 0.42 2.61 0.00 -0.84 -4.89 121.76 120.42 2hdm s ALA 53 Ca 0.28 1.30 0.09 0.00 0.00 0.00 0.00 51.96 53.62 2hdm s ALA 53 Cb 0.20 -3.59 0.90 0.00 0.00 0.00 0.00 23.12 20.63 2hdm s ALA 53 CO 0.47 -0.73 2.05 1.15 0.00 0.00 0.00 175.76 178.70 2hdm h THR 54 N 4.01 1.07 -0.11 0.00 2.02 -1.89 0.17 112.91 118.17 2hdm h THR 54 Ca -0.43 -0.18 -0.16 0.00 0.77 0.00 0.00 66.41 66.41 2hdm h THR 54 Cb 1.21 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2hdm h THR 54 CO 0.88 0.09 -0.62 4.11 0.37 0.00 0.00 175.52 180.36 2hdm h TRP 55 N 0.51 0.51 -0.32 3.16 5.08 -1.94 -0.64 115.95 122.32 2hdm h TRP 55 Ca 0.17 -0.20 -0.07 0.00 1.08 0.00 0.00 58.89 59.87 2hdm h TRP 55 Cb 0.04 -0.09 -0.01 0.00 -3.00 0.00 0.00 29.16 26.10 2hdm h TRP 55 CO -0.00 0.91 -0.07 0.28 -1.28 0.00 0.00 178.44 178.28 2hdm h VAL 56 N 0.29 1.28 -0.38 0.12 2.07 -1.46 0.50 116.25 118.68 2hdm h VAL 56 Ca -0.01 -1.11 0.08 0.00 0.82 0.00 0.00 66.70 66.48 2hdm h VAL 56 Cb 1.15 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 32.20 2hdm h VAL 56 CO 0.11 0.36 -0.15 0.03 0.02 0.00 0.00 177.57 177.94 2hdm h ARG 57 N 0.38 -0.07 -0.36 1.57 2.47 -0.45 0.48 114.38 118.41 2hdm h ARG 57 Ca 0.08 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.77 2hdm h ARG 57 Cb 0.56 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 2hdm h ARG 57 CO 0.03 -0.04 0.08 0.22 0.56 0.00 0.00 179.97 180.81 2hdm h ASP 58 N -0.07 0.55 -0.27 7.04 3.58 -0.85 -0.66 116.42 125.73 2hdm h ASP 58 Ca 0.19 -0.24 -0.19 0.00 0.42 0.00 0.00 57.03 57.21 2hdm h ASP 58 Cb 0.35 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2hdm h ASP 58 CO -0.43 0.65 -0.56 0.00 -2.88 0.00 0.00 179.24 176.02 2hdm h VAL 60 N 0.64 0.87 0.00 0.00 3.04 -0.00 -1.42 116.25 119.37 2hdm h VAL 60 Ca 0.01 -0.87 -0.25 0.00 -1.01 0.00 0.00 66.70 64.59 2hdm h VAL 60 Cb 1.17 1.51 -0.04 0.00 -2.01 0.00 0.00 31.29 31.92 2hdm h VAL 60 CO 0.12 0.22 -1.31 0.08 -1.01 0.00 0.00 177.57 175.68 2hdm h ARG 61 N 0.00 0.00 -0.26 4.17 -0.00 -0.83 -1.99 114.38 115.47 2hdm h ARG 61 Ca -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.96 2hdm h ARG 61 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.45 2hdm h ARG 61 CO 0.03 0.78 0.13 1.03 -0.00 0.00 0.00 179.97 181.94 2hdm h SER 62 N 0.00 0.34 0.55 0.08 0.87 -0.45 -0.32 113.55 114.62 2hdm h SER 62 Ca -0.13 -0.12 -0.13 0.00 -1.23 0.00 0.00 61.79 60.18 2hdm h SER 62 Cb 1.88 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.73 2hdm h SER 62 CO 0.11 0.36 -0.60 0.24 -0.53 0.00 0.00 176.83 176.41 2hdm h MET 63 N 0.29 0.06 -0.60 2.24 2.86 -1.32 0.49 114.93 118.96 2hdm h MET 63 Ca 0.09 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2hdm h MET 63 Cb 0.11 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2hdm h MET 63 CO -0.01 0.64 0.26 0.22 1.06 0.00 0.00 176.91 179.08 2hdm h ASP 64 N 0.04 0.77 0.14 1.22 3.58 -1.04 0.22 116.42 121.35 2hdm h ASP 64 Ca -0.01 -0.09 -0.26 0.00 0.42 0.00 0.00 57.03 57.09 2hdm h ASP 64 Cb 1.08 -0.20 0.02 0.00 1.72 0.00 0.00 39.33 41.94 2hdm h ASP 64 CO 0.08 0.68 -1.06 -0.09 -2.88 0.00 0.00 179.24 175.97 2hdm h ARG 65 N 0.85 0.59 0.48 0.28 1.12 -0.42 -3.02 114.38 114.27 2hdm h ARG 65 Ca 0.21 -0.67 -0.02 0.00 -1.11 0.00 0.00 59.98 58.38 2hdm h ARG 65 Cb 0.13 0.20 0.00 0.00 -0.01 0.00 0.00 29.97 30.30 2hdm h ARG 65 CO -0.02 1.27 -0.23 0.87 -3.11 0.00 0.00 179.97 178.74 2hdm h LYS 66 N 0.32 -0.63 -3.67 0.20 1.79 -0.54 -3.33 116.57 110.71 2hdm h LYS 66 Ca -0.13 0.04 -0.73 0.00 -2.18 0.00 0.00 60.65 57.65 2hdm h LYS 66 Cb 1.71 0.14 -0.32 0.00 -1.58 0.00 0.00 32.23 32.19 2hdm h LYS 66 CO 0.20 -0.34 -0.17 0.45 -1.08 0.00 0.00 179.45 178.50 2hdm s SER 67 N -4.74 5.85 -0.34 0.86 0.15 0.73 -5.03 113.70 111.19 2hdm s SER 67 Ca -0.15 -2.81 -0.10 0.00 0.70 0.00 0.00 55.95 53.59 2hdm s SER 67 Cb 0.03 -2.00 0.01 0.00 -1.71 0.00 0.00 66.02 62.35 2hdm s SER 67 CO 0.56 -0.45 0.17 0.21 1.20 0.00 0.00 173.24 174.94 2hdm s ASN 68 N 1.26 5.61 0.02 5.45 3.04 -1.14 -4.41 114.94 124.77 2hdm s ASN 68 Ca 0.17 -0.73 -0.08 0.00 0.04 0.00 0.00 52.86 52.27 2hdm s ASN 68 Cb -0.16 -2.01 0.00 0.00 -1.54 0.00 0.00 41.25 37.54 2hdm s ASN 68 CO -0.06 -0.28 0.15 0.28 -3.04 0.00 0.00 177.10 174.16 2hdm s THR 69 N 1.58 0.10 -0.03 -5.21 -1.32 -1.26 -5.08 115.64 104.41 2hdm s THR 69 Ca 0.03 -0.80 0.01 0.00 -1.21 0.00 0.00 61.69 59.72 2hdm s THR 69 Cb -0.18 -0.62 0.02 0.00 -1.51 0.00 0.00 72.50 70.21 2hdm s THR 69 CO 0.06 -0.44 -0.02 0.00 -2.21 0.00 0.00 174.62 172.01 2hdm s ARG 70 N -1.85 0.51 -0.38 7.08 1.70 -1.26 -5.09 118.95 119.66 2hdm s ARG 70 Ca -0.11 -0.00 -0.26 0.00 -0.47 0.00 0.00 55.73 54.89 2hdm s ARG 70 Cb -0.05 -0.61 0.02 0.00 -0.57 0.00 0.00 34.95 33.74 2hdm s ARG 70 CO -0.00 -0.10 0.91 1.21 -1.08 0.00 0.00 175.30 176.23 2hdm s ASN 71 N 0.93 6.64 0.12 -2.89 2.47 -1.26 -4.99 114.94 115.97 2hdm s ASN 71 Ca -0.11 0.50 -0.32 0.00 0.42 0.00 0.00 52.86 53.35 2hdm s ASN 71 Cb -0.14 -2.46 -0.11 0.00 -1.45 0.00 0.00 41.25 37.09 2hdm s ASN 71 CO -0.01 -0.87 1.80 0.59 -3.72 0.00 0.00 177.10 174.89 2hdm n ASN 72 N 6.80 3.89 -4.66 -4.21 4.13 -1.26 -4.86 115.26 115.09 2hdm n ASN 72 Ca 0.07 1.00 -0.42 0.00 1.68 0.00 0.00 54.58 56.91 2hdm n ASN 72 Cb 0.48 -1.52 -0.03 0.00 -1.54 0.00 0.00 39.78 37.17 2hdm n ASN 72 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2hdm s MET 73 N 2.48 4.07 -0.51 3.52 0.23 -1.26 -4.91 119.30 122.92 2hdm s MET 73 Ca 0.82 2.59 -0.25 0.00 -1.03 0.00 0.00 55.69 57.82 2hdm s MET 73 Cb -0.52 -4.18 0.04 0.00 -1.53 0.00 0.00 34.83 28.63 2hdm s MET 73 CO 0.38 -1.03 0.93 0.96 -2.03 0.00 0.00 175.02 174.22 2hdm s ILE 74 N 4.72 4.43 -1.15 3.16 -4.36 -1.26 -5.34 121.20 121.41 2hdm s ILE 74 Ca 0.90 0.45 0.09 0.00 -0.26 0.00 0.00 60.65 61.83 2hdm s ILE 74 Cb -0.42 -4.49 0.07 0.00 1.25 0.00 0.00 42.46 38.87 2hdm s ILE 74 CO 0.41 -0.99 0.79 0.00 0.24 0.00 0.00 174.94 175.39