#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hdm s SER 3 N 0.00 6.34 -0.22 1.61 0.01 -1.26 -4.96 113.70 115.22 2hdm s SER 3 Ca 0.00 -2.44 -0.04 0.00 1.31 0.00 0.00 55.95 54.78 2hdm s SER 3 Cb 0.00 -2.15 0.08 0.00 0.21 0.00 0.00 66.02 64.16 2hdm s SER 3 CO 0.00 -0.62 0.09 -1.61 0.41 0.00 0.00 173.24 171.51 2hdm s GLU 4 N 0.56 0.34 0.26 12.44 0.41 -1.26 -5.11 118.70 126.34 2hdm s GLU 4 Ca 0.13 -0.41 0.01 0.00 -0.41 0.00 0.00 54.97 54.30 2hdm s GLU 4 Cb -0.17 -1.75 -0.05 0.00 -1.78 0.00 0.00 34.13 30.38 2hdm s GLU 4 CO -0.05 -0.79 0.10 0.14 -0.49 0.00 0.00 175.26 174.17 2hdm s VAL 5 N 1.99 0.53 -0.26 2.63 -7.23 -1.26 -5.13 120.40 111.66 2hdm s VAL 5 Ca 0.04 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.09 2hdm s VAL 5 Cb -0.16 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 34.10 2hdm s VAL 5 CO -0.18 0.00 0.23 -0.44 -0.31 0.00 0.00 175.10 174.40 2hdm s SER 6 N -3.31 6.12 -0.11 4.85 0.01 -1.26 -5.05 113.70 114.95 2hdm s SER 6 Ca 0.38 0.12 -0.22 0.00 1.31 0.00 0.00 55.95 57.53 2hdm s SER 6 Cb 0.08 -2.14 0.05 0.00 0.21 0.00 0.00 66.02 64.22 2hdm s SER 6 CO 0.14 -0.04 0.54 1.51 0.41 0.00 0.00 173.24 175.80 2hdm s ASP 7 N 1.48 -0.52 0.21 2.44 -4.77 -1.26 -5.16 116.67 109.08 2hdm s ASP 7 Ca 0.09 0.76 -0.07 0.00 -3.30 0.00 0.00 52.55 50.03 2hdm s ASP 7 Cb -0.15 0.76 -0.06 0.00 -1.09 0.00 0.00 42.92 42.37 2hdm s ASP 7 CO 0.09 -0.39 0.48 -0.54 0.70 0.00 0.00 175.17 175.51 2hdm s LYS 8 N -0.56 3.70 -0.66 2.11 1.02 -1.26 -4.36 119.74 119.73 2hdm s LYS 8 Ca -0.07 0.08 -0.12 0.00 0.02 0.00 0.00 55.97 55.88 2hdm s LYS 8 Cb -0.03 -2.73 0.02 0.00 -0.52 0.00 0.00 37.83 34.57 2hdm s LYS 8 CO 0.05 0.36 0.64 -2.13 -0.92 0.00 0.00 175.35 173.35 2hdm n ARG 9 N -0.18 -1.72 -0.09 1.68 0.63 -1.26 -4.89 116.66 110.83 2hdm n ARG 9 Ca -0.01 1.29 0.12 0.00 -0.92 0.00 0.00 57.85 58.32 2hdm n ARG 9 Cb 0.52 -3.46 0.26 0.00 0.45 0.00 0.00 32.46 30.23 2hdm n ARG 9 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2hdm n THR 10 N -1.49 0.23 -4.25 5.15 5.66 -1.26 -4.88 114.28 113.44 2hdm n THR 10 Ca -0.13 -0.53 -0.14 0.00 -3.05 0.00 0.00 64.05 60.20 2hdm n THR 10 Cb 0.62 0.94 -0.10 0.00 -1.55 0.00 0.00 70.33 70.23 2hdm n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hdm n VAL 12 N -0.23 0.50 -2.99 0.00 0.31 -1.26 -5.01 118.33 109.64 2hdm n VAL 12 Ca -0.08 -0.13 -0.40 0.00 -0.01 0.00 0.00 64.34 63.72 2hdm n VAL 12 Cb 0.62 -1.57 -0.05 0.00 -0.91 0.00 0.00 33.84 31.92 2hdm n VAL 12 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2hdm s SER 13 N -5.76 7.26 0.04 4.52 1.04 -1.26 -5.05 113.70 114.50 2hdm s SER 13 Ca -0.13 1.50 0.04 0.00 0.48 0.00 0.00 55.95 57.85 2hdm s SER 13 Cb 0.05 -2.47 -0.04 0.00 0.10 0.00 0.00 66.02 63.66 2hdm s SER 13 CO 0.16 0.09 -0.06 -0.76 0.98 0.00 0.00 173.24 173.65 2hdm s LEU 14 N -0.46 3.20 0.36 2.42 1.43 -1.26 -4.82 118.68 119.54 2hdm s LEU 14 Ca 0.37 -0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 53.18 2hdm s LEU 14 Cb -0.21 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.05 2hdm s LEU 14 CO 0.24 0.24 0.68 0.28 0.23 0.00 0.00 176.35 178.01 2hdm s THR 15 N -1.11 4.88 -0.07 5.49 -1.32 0.52 -4.71 115.64 119.32 2hdm s THR 15 Ca 0.20 0.39 0.01 0.00 -1.21 0.00 0.00 61.69 61.07 2hdm s THR 15 Cb -0.11 -3.73 0.01 0.00 -1.51 0.00 0.00 72.50 67.15 2hdm s THR 15 CO 0.11 -0.43 0.59 0.35 -2.21 0.00 0.00 174.62 173.03 2hdm n THR 16 N -1.13 0.14 -2.82 5.08 -2.24 -1.26 -1.55 114.28 110.50 2hdm n THR 16 Ca 0.01 -0.57 -0.38 0.00 -2.27 0.00 0.00 64.05 60.84 2hdm n THR 16 Cb 0.54 0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 2hdm n THR 16 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2hdm s GLN 17 N -0.18 4.61 0.15 -0.78 -0.44 -1.26 -5.01 119.66 116.74 2hdm s GLN 17 Ca 0.01 1.31 0.00 0.00 -2.50 0.00 0.00 55.36 54.18 2hdm s GLN 17 Cb 0.01 -2.93 -0.04 0.00 -1.64 0.00 0.00 33.01 28.41 2hdm s GLN 17 CO 0.01 0.35 0.31 1.03 0.50 0.00 0.00 175.29 177.49 2hdm s ARG 18 N -1.82 3.48 0.21 1.67 0.52 -1.26 -5.05 118.95 116.70 2hdm s ARG 18 Ca 0.47 -0.44 0.11 0.00 -0.52 0.00 0.00 55.73 55.35 2hdm s ARG 18 Cb -0.20 -2.93 -0.05 0.00 0.52 0.00 0.00 34.95 32.29 2hdm s ARG 18 CO 0.25 0.50 -0.20 -0.51 0.02 0.00 0.00 175.30 175.36 2hdm s LEU 19 N -3.06 2.56 0.17 2.53 1.02 -1.26 -5.10 118.68 115.55 2hdm s LEU 19 Ca 0.36 -0.85 -0.31 0.00 0.02 0.00 0.00 54.13 53.35 2hdm s LEU 19 Cb -0.12 -1.24 -0.09 0.00 0.02 0.00 0.00 46.19 44.77 2hdm s LEU 19 CO 0.28 0.10 1.41 -2.84 0.02 0.00 0.00 176.35 175.32 2hdm s PRO 20 N -2.89 4.31 0.56 1.29 0.02 -1.26 -4.88 135.00 132.14 2hdm s PRO 20 Ca 0.24 2.17 0.33 0.00 0.02 0.00 0.00 61.00 63.76 2hdm s PRO 20 Cb -0.07 -3.19 1.61 0.00 0.02 0.00 0.00 34.50 32.87 2hdm s PRO 20 CO 0.12 -0.42 2.09 0.00 -0.33 0.00 0.00 177.00 178.46 2hdm n SER 22 N -3.31 0.23 -0.66 0.00 7.64 -1.26 -2.38 113.62 113.88 2hdm n SER 22 Ca -0.01 0.55 0.09 0.00 1.01 0.00 0.00 58.87 60.51 2hdm n SER 22 Cb 0.24 -0.60 0.06 0.00 -1.01 0.00 0.00 64.21 62.90 2hdm n SER 22 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2hdm n ARG 23 N -1.75 1.54 -2.07 1.43 1.74 0.22 -4.95 116.66 112.82 2hdm n ARG 23 Ca 0.03 -1.44 -0.42 0.00 -0.77 0.00 0.00 57.85 55.25 2hdm n ARG 23 Cb 0.21 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 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 -1.60 2.91 -0.15 0.55 -1.09 -1.00 -0.49 121.20 120.32 2hdm s ILE 24 Ca 0.20 0.70 -0.10 0.00 -2.23 0.00 0.00 60.65 59.22 2hdm s ILE 24 Cb 0.15 -3.45 -0.06 0.00 -1.58 0.00 0.00 42.46 37.52 2hdm s ILE 24 CO 0.27 0.08 -0.23 1.17 -1.23 0.00 0.00 174.94 175.00 2hdm n LYS 25 N 3.21 0.37 -3.67 2.79 0.00 0.26 -4.63 118.16 116.48 2hdm n LYS 25 Ca 0.10 0.16 -0.09 0.00 0.00 0.00 0.00 58.31 58.47 2hdm n LYS 25 Cb 0.41 -1.13 -0.02 0.00 0.00 0.00 0.00 35.03 34.29 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 -2.41 0.00 0.13 3.15 -1.32 -1.08 -4.99 115.64 109.12 2hdm s THR 26 Ca -0.23 -0.58 -0.00 0.00 -1.21 0.00 0.00 61.69 59.66 2hdm s THR 26 Cb 0.07 -1.57 -0.04 0.00 -1.51 0.00 0.00 72.50 69.46 2hdm s THR 26 CO 0.30 -0.01 0.02 -0.72 -2.21 0.00 0.00 174.62 172.01 2hdm s TYR 27 N -3.85 0.91 -0.04 9.09 -0.85 -1.26 -0.49 117.35 120.86 2hdm s TYR 27 Ca 0.07 -1.13 -0.02 0.00 -0.52 0.00 0.00 57.07 55.47 2hdm s TYR 27 Cb -0.04 -0.53 0.03 0.00 0.38 0.00 0.00 41.96 41.81 2hdm s TYR 27 CO -0.02 -0.39 0.06 -0.08 -1.52 0.00 0.00 175.55 173.60 2hdm s THR 28 N -3.90 -0.11 -0.21 -3.49 -1.32 -0.21 -4.94 115.64 101.46 2hdm s THR 28 Ca 0.21 0.35 -0.11 0.00 -1.21 0.00 0.00 61.69 60.93 2hdm s THR 28 Cb 0.07 -0.15 -0.05 0.00 -1.51 0.00 0.00 72.50 70.87 2hdm s THR 28 CO 0.00 0.15 0.16 -0.63 -2.21 0.00 0.00 174.62 172.09 2hdm s ILE 29 N 1.81 5.37 -0.07 5.08 1.01 -1.26 -0.40 121.20 132.74 2hdm s ILE 29 Ca -0.00 0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.92 2hdm s ILE 29 Cb -0.12 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 2hdm s ILE 29 CO -0.03 0.39 -0.19 0.42 0.00 0.00 0.00 174.94 175.53 2hdm s THR 30 N 0.69 2.61 0.07 2.92 -4.23 0.52 -4.97 115.64 113.24 2hdm s THR 30 Ca 0.09 -0.87 0.05 0.00 -1.18 0.00 0.00 61.69 59.78 2hdm s THR 30 Cb -0.12 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 2hdm s THR 30 CO 0.01 0.57 -0.14 -1.83 -0.54 0.00 0.00 174.62 172.69 2hdm s GLU 31 N -0.25 0.82 0.00 3.99 -1.05 -1.26 -1.83 118.70 119.12 2hdm s GLU 31 Ca 0.00 -0.92 0.00 0.00 -0.15 0.00 0.00 54.97 53.90 2hdm s GLU 31 Cb -0.13 -0.82 0.00 0.00 -0.44 0.00 0.00 34.13 32.74 2hdm s GLU 31 CO 0.03 0.18 0.00 0.41 0.95 0.00 0.00 175.26 176.83 2hdm n GLY 32 N 1.37 0.14 0.66 -3.83 0.00 -1.26 -5.03 105.19 97.23 2hdm n GLY 32 Ca -0.21 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.03 -2.72 1.61 7.64 -1.26 -4.99 113.62 109.87 2hdm n SER 33 Ca 0.00 0.38 -0.04 0.00 1.01 0.00 0.00 58.87 60.21 2hdm n SER 33 Cb 0.00 -1.17 0.01 0.00 -1.01 0.00 0.00 64.21 62.04 2hdm n SER 33 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2hdm n LEU 34 N 0.03 -7.67 -4.60 -3.43 7.99 -1.26 -4.88 117.00 103.18 2hdm n LEU 34 Ca 0.00 0.86 -0.43 0.00 -0.01 0.00 0.00 56.01 56.43 2hdm n LEU 34 Cb 0.00 -3.26 -0.02 0.00 -0.11 0.00 0.00 43.42 40.03 2hdm n LEU 34 CO 0.00 -2.58 1.32 -0.13 -1.51 0.00 0.00 177.39 174.49 2hdm s ARG 35 N -2.12 3.52 -0.09 3.23 3.00 -1.26 -4.64 118.95 120.59 2hdm s ARG 35 Ca 0.14 1.09 0.03 0.00 0.00 0.00 0.00 55.73 56.99 2hdm s ARG 35 Cb -0.04 -4.07 0.01 0.00 0.00 0.00 0.00 34.95 30.85 2hdm s ARG 35 CO 0.73 -1.64 -0.18 0.00 0.00 0.00 0.00 175.30 174.22 2hdm s ALA 36 N 5.81 1.76 -0.32 2.13 0.00 -0.76 -4.46 121.76 125.91 2hdm s ALA 36 Ca 0.67 -0.73 -0.10 0.00 0.00 0.00 0.00 51.96 51.80 2hdm s ALA 36 Cb -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2hdm s ALA 36 CO 0.33 0.14 0.16 0.54 0.00 0.00 0.00 175.76 176.92 2hdm s VAL 37 N 0.61 4.53 -0.22 0.00 0.11 -1.16 -0.36 120.40 123.90 2hdm s VAL 37 Ca -0.14 -0.54 -0.14 0.00 -2.93 0.00 0.00 61.98 58.22 2hdm s VAL 37 Cb -0.16 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.28 2hdm s VAL 37 CO 0.05 0.00 0.33 -0.63 -3.33 0.00 0.00 175.10 171.52 2hdm s ILE 38 N 1.59 5.24 -0.17 7.04 1.01 0.47 -1.19 121.20 135.19 2hdm s ILE 38 Ca 0.04 0.55 -0.05 0.00 0.00 0.00 0.00 60.65 61.18 2hdm s ILE 38 Cb -0.17 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 2hdm s ILE 38 CO 0.06 0.26 0.01 -0.36 0.00 0.00 0.00 174.94 174.91 2hdm s PHE 39 N 1.35 3.12 -0.17 3.97 0.08 0.98 -1.05 117.98 126.26 2hdm s PHE 39 Ca 0.15 -0.17 -0.09 0.00 0.12 0.00 0.00 56.93 56.94 2hdm s PHE 39 Cb -0.15 -2.03 -0.05 0.00 -0.57 0.00 0.00 43.02 40.23 2hdm s PHE 39 CO 0.07 0.01 0.15 0.42 -0.10 0.00 0.00 175.22 175.77 2hdm s ILE 40 N 0.48 5.43 0.67 0.64 -1.09 0.35 -0.95 121.20 126.73 2hdm s ILE 40 Ca -0.00 0.23 -0.09 0.00 -2.23 0.00 0.00 60.65 58.55 2hdm s ILE 40 Cb -0.14 -3.46 0.02 0.00 -1.58 0.00 0.00 42.46 37.31 2hdm s ILE 40 CO 0.02 0.51 1.02 0.42 -1.23 0.00 0.00 174.94 175.67 2hdm s THR 41 N -0.16 3.32 -0.41 2.92 -4.23 -0.01 -0.58 115.64 116.49 2hdm s THR 41 Ca 0.11 0.18 0.22 0.00 -1.18 0.00 0.00 61.69 61.02 2hdm s THR 41 Cb -0.12 -3.39 0.22 0.00 1.34 0.00 0.00 72.50 70.56 2hdm s THR 41 CO 0.01 -0.46 1.66 1.17 -0.54 0.00 0.00 174.62 176.46 2hdm n LYS 42 N -2.86 0.16 0.12 3.99 4.81 0.36 -0.50 118.16 124.23 2hdm n LYS 42 Ca 0.06 0.50 0.13 0.00 -0.87 0.00 0.00 58.31 58.13 2hdm n LYS 42 Cb 0.58 -1.88 0.29 0.00 0.02 0.00 0.00 35.03 34.04 2hdm n LYS 42 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2hdm h ARG 43 N 0.00 0.00 0.00 1.64 2.43 -1.92 -3.47 114.38 113.06 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 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 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 1.27 0.85 3.90 2.80 0.00 0.34 -5.07 105.19 109.27 2hdm n GLY 44 Ca 0.05 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.31 0.99 1.43 -1.25 -4.85 118.68 119.03 2hdm s LEU 45 Ca 0.00 0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 53.43 2hdm s LEU 45 Cb 0.00 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 2hdm s LEU 45 CO 0.00 0.18 0.27 -0.54 0.23 0.00 0.00 176.35 176.49 2hdm s LYS 46 N -2.21 3.74 0.08 1.70 1.02 -1.26 -0.83 119.74 121.98 2hdm s LYS 46 Ca 0.33 -0.39 0.06 0.00 0.02 0.00 0.00 55.97 55.99 2hdm s LYS 46 Cb -0.13 -3.74 -0.03 0.00 -0.52 0.00 0.00 37.83 33.42 2hdm s LYS 46 CO 0.22 -0.35 -0.17 0.08 -0.92 0.00 0.00 175.35 174.21 2hdm s VAL 47 N 1.84 1.37 -0.11 3.17 1.01 -0.13 -5.02 120.40 122.53 2hdm s VAL 47 Ca 0.09 -1.34 0.03 0.00 0.00 0.00 0.00 61.98 60.76 2hdm s VAL 47 Cb -0.17 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 34.96 2hdm s VAL 47 CO 0.11 -0.10 -0.20 0.00 0.00 0.00 0.00 175.10 174.90 2hdm s ALA 49 N 0.68 2.32 -0.10 0.00 0.00 -0.33 -0.35 121.76 123.98 2hdm s ALA 49 Ca -0.11 -1.49 -0.30 0.00 0.00 0.00 0.00 51.96 50.06 2hdm s ALA 49 Cb -0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 2hdm s ALA 49 CO 0.02 0.47 1.06 0.34 0.00 0.00 0.00 175.76 177.65 2hdm s ASP 50 N -2.24 7.18 0.63 0.00 -1.08 -0.60 -3.01 116.67 117.56 2hdm s ASP 50 Ca 0.15 1.59 0.37 0.00 -0.52 0.00 0.00 52.55 54.14 2hdm s ASP 50 Cb -0.09 -2.56 2.02 0.00 -1.46 0.00 0.00 42.92 40.84 2hdm s ASP 50 CO 0.07 -0.50 2.14 -0.65 0.52 0.00 0.00 175.17 176.74 2hdm h PRO 51 N 7.23 0.00 0.00 4.34 0.11 -1.90 -2.03 132.00 139.75 2hdm h PRO 51 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2hdm h PRO 51 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2hdm h PRO 51 CO 0.87 0.00 -0.41 0.00 -0.21 0.00 0.00 178.00 178.25 2hdm n GLN 52 N -2.92 0.01 -2.02 1.05 10.64 -1.26 -4.34 117.38 118.54 2hdm n GLN 52 Ca -0.02 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.73 2hdm n GLN 52 Cb 0.18 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.03 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 -3.00 3.69 0.32 2.61 0.00 -0.76 -4.87 121.76 119.74 2hdm s ALA 53 Ca 0.11 1.29 0.01 0.00 0.00 0.00 0.00 51.96 53.37 2hdm s ALA 53 Cb 0.18 -3.58 0.55 0.00 0.00 0.00 0.00 23.12 20.27 2hdm s ALA 53 CO 0.67 -0.72 1.96 1.15 0.00 0.00 0.00 175.76 178.82 2hdm h THR 54 N 3.95 1.13 -0.05 0.00 2.02 -1.89 0.11 112.91 118.18 2hdm h THR 54 Ca -0.43 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.30 2hdm h THR 54 Cb 1.21 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2hdm h THR 54 CO 0.86 0.18 -0.46 4.11 0.37 0.00 0.00 175.52 180.59 2hdm h TRP 55 N 0.99 0.14 -0.00 3.16 5.08 -1.95 -1.90 115.95 121.46 2hdm h TRP 55 Ca 0.31 -0.04 -0.00 0.00 1.08 0.00 0.00 58.89 60.24 2hdm h TRP 55 Cb 0.03 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2hdm h TRP 55 CO -0.00 0.55 -0.01 0.28 -1.28 0.00 0.00 178.44 177.98 2hdm h VAL 56 N 0.09 1.48 -0.92 0.12 2.07 -1.46 -1.64 116.25 116.01 2hdm h VAL 56 Ca 0.00 -1.43 0.14 0.00 0.82 0.00 0.00 66.70 66.23 2hdm h VAL 56 Cb 0.85 2.45 -0.07 0.00 -1.52 0.00 0.00 31.29 32.99 2hdm h VAL 56 CO 0.06 0.37 0.59 0.03 0.02 0.00 0.00 177.57 178.65 2hdm h ARG 57 N -0.59 0.73 -0.10 1.57 3.08 -0.65 0.48 114.38 118.89 2hdm h ARG 57 Ca -0.00 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 2hdm h ARG 57 Cb 0.62 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2hdm h ARG 57 CO 0.00 0.48 -0.30 0.22 -1.07 0.00 0.00 179.97 179.31 2hdm h ASP 58 N 0.75 0.44 0.67 7.04 3.58 -1.33 -3.11 116.42 124.45 2hdm h ASP 58 Ca 0.46 -0.60 -0.26 0.00 0.42 0.00 0.00 57.03 57.06 2hdm h ASP 58 Cb 0.69 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 2hdm h ASP 58 CO -0.22 0.96 -1.16 0.00 -2.88 0.00 0.00 179.24 175.93 2hdm h VAL 60 N 0.07 0.64 0.05 0.00 3.04 -0.22 -0.44 116.25 119.39 2hdm h VAL 60 Ca -0.11 -0.64 -0.32 0.00 -1.01 0.00 0.00 66.70 64.62 2hdm h VAL 60 Cb 1.89 1.40 -0.04 0.00 -2.01 0.00 0.00 31.29 32.53 2hdm h VAL 60 CO 0.19 0.15 -1.83 -1.14 -1.01 0.00 0.00 177.57 173.92 2hdm n ARG 61 N -3.69 0.68 -0.02 4.17 3.00 -1.12 -2.76 116.66 116.92 2hdm n ARG 61 Ca -0.02 0.28 -0.10 0.00 -0.00 0.00 0.00 57.85 58.02 2hdm n ARG 61 Cb 0.27 -1.76 -0.04 0.00 0.00 0.00 0.00 32.46 30.93 2hdm n ARG 61 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2hdm h SER 62 N 0.03 0.06 0.36 6.15 0.87 0.26 0.60 113.55 121.88 2hdm h SER 62 Ca -0.34 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.14 2hdm h SER 62 Cb 2.03 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.98 2hdm h SER 62 CO 0.08 0.06 -0.43 0.24 -0.53 0.00 0.00 176.83 176.25 2hdm h MET 63 N 0.13 0.09 -0.28 2.24 2.86 -1.25 -0.52 114.93 118.19 2hdm h MET 63 Ca 0.07 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 2hdm h MET 63 Cb 0.04 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 2hdm h MET 63 CO -0.07 0.50 -0.13 0.22 1.06 0.00 0.00 176.91 178.50 2hdm h ASP 64 N 0.07 0.45 0.03 1.22 3.58 -1.23 0.65 116.42 121.20 2hdm h ASP 64 Ca 0.00 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 2hdm h ASP 64 Cb 0.79 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.72 2hdm h ASP 64 CO 0.06 0.61 -0.01 -0.09 -2.88 0.00 0.00 179.24 176.93 2hdm h ARG 65 N 0.43 -0.04 -0.63 0.28 1.12 -0.46 -3.34 114.38 111.75 2hdm h ARG 65 Ca 0.08 0.00 0.07 0.00 -1.11 0.00 0.00 59.98 59.02 2hdm h ARG 65 Cb 0.48 0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 30.39 2hdm h ARG 65 CO 0.03 0.66 0.32 0.87 -3.11 0.00 0.00 179.97 178.74 2hdm h LYS 66 N -0.84 0.57 -6.00 0.20 1.57 -0.97 -3.40 116.57 107.69 2hdm h LYS 66 Ca -0.00 -0.03 -0.57 0.00 -1.87 0.00 0.00 60.65 58.17 2hdm h LYS 66 Cb 0.72 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 2hdm h LYS 66 CO 0.01 0.38 0.39 -1.12 -0.57 0.00 0.00 179.45 178.53 2hdm s SER 67 N -5.52 7.00 -0.07 0.86 0.01 0.21 -4.99 113.70 111.20 2hdm s SER 67 Ca -0.13 1.23 -0.30 0.00 1.31 0.00 0.00 55.95 58.07 2hdm s SER 67 Cb 0.16 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 2hdm s SER 67 CO 0.75 -0.38 1.40 0.21 0.41 0.00 0.00 173.24 175.63 2hdm s ASN 68 N 1.12 6.86 0.24 2.44 2.47 -1.26 -4.79 114.94 122.01 2hdm s ASN 68 Ca 0.40 1.98 0.11 0.00 0.42 0.00 0.00 52.86 55.78 2hdm s ASN 68 Cb -0.17 -2.55 -0.05 0.00 -1.45 0.00 0.00 41.25 37.04 2hdm s ASN 68 CO 0.14 -0.76 -0.19 0.28 -3.72 0.00 0.00 177.10 172.84 2hdm s THR 69 N 3.07 2.55 -0.00 -5.21 -1.32 -1.26 -5.06 115.64 108.41 2hdm s THR 69 Ca 0.62 -2.17 -0.06 0.00 -1.21 0.00 0.00 61.69 58.87 2hdm s THR 69 Cb -0.28 -2.29 -0.02 0.00 -1.51 0.00 0.00 72.50 68.39 2hdm s THR 69 CO 0.23 -0.26 -0.13 0.54 -2.21 0.00 0.00 174.62 172.79 2hdm n ARG 70 N -0.24 0.19 0.13 7.08 1.74 -1.26 -5.07 116.66 119.23 2hdm n ARG 70 Ca -0.09 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2hdm n ARG 70 Cb 0.58 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 31.18 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 -3.83 -2.26 -4.55 0.55 5.15 -1.26 -5.07 115.26 103.98 2hdm n ASN 71 Ca -0.05 0.67 -0.42 0.00 -0.60 0.00 0.00 54.58 54.17 2hdm n ASN 71 Cb 0.20 2.30 -0.03 0.00 -0.53 0.00 0.00 39.78 41.72 2hdm n ASN 71 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2hdm s ASN 72 N -2.00 6.37 -0.66 1.20 -0.87 -1.26 -4.96 114.94 112.75 2hdm s ASN 72 Ca 0.00 -0.15 -0.23 0.00 -1.57 0.00 0.00 52.86 50.91 2hdm s ASN 72 Cb 0.00 -2.51 0.06 0.00 -0.02 0.00 0.00 41.25 38.78 2hdm s ASN 72 CO 0.00 -1.45 0.99 -0.04 -2.57 0.00 0.00 177.10 174.03 2hdm s MET 73 N 4.73 3.13 0.00 -0.60 -1.94 -1.26 -4.78 119.30 118.58 2hdm s MET 73 Ca 0.37 -0.74 0.22 0.00 -1.71 0.00 0.00 55.69 53.84 2hdm s MET 73 Cb -0.09 -4.21 0.44 0.00 2.01 0.00 0.00 34.83 32.98 2hdm s MET 73 CO 0.22 -1.83 1.40 0.44 -0.01 0.00 0.00 175.02 175.24 2hdm n ILE 74 N 5.98 0.59 0.52 2.53 -5.35 -1.26 -5.17 119.36 117.20 2hdm n ILE 74 Ca -0.03 -0.79 0.06 0.00 -0.27 0.00 0.00 62.75 61.72 2hdm n ILE 74 Cb 0.46 0.90 0.05 0.00 -1.74 0.00 0.00 39.64 39.31 2hdm n ILE 74 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79