#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 2.01 -0.05 1.61 0.01 -1.26 -5.13 113.70 110.89 2hdm s SER 3 Ca 0.00 -0.32 -0.07 0.00 1.31 0.00 0.00 55.95 56.88 2hdm s SER 3 Cb 0.00 -0.86 -0.04 0.00 0.21 0.00 0.00 66.02 65.32 2hdm s SER 3 CO 0.00 -0.03 0.21 -1.61 0.41 0.00 0.00 173.24 172.22 2hdm s GLU 4 N 1.13 3.52 0.20 12.44 8.01 -1.26 -5.10 118.70 137.64 2hdm s GLU 4 Ca -0.06 -0.10 0.07 0.00 0.01 0.00 0.00 54.97 54.89 2hdm s GLU 4 Cb -0.14 -3.14 -0.04 0.00 -4.31 0.00 0.00 34.13 26.49 2hdm s GLU 4 CO -0.02 0.72 0.06 0.14 0.01 0.00 0.00 175.26 176.16 2hdm s VAL 5 N -1.16 3.94 -0.61 2.63 -7.23 -1.26 -5.08 120.40 111.62 2hdm s VAL 5 Ca 0.22 -1.44 -0.03 0.00 -1.81 0.00 0.00 61.98 58.91 2hdm s VAL 5 Cb -0.13 -3.03 0.16 0.00 0.56 0.00 0.00 36.38 33.94 2hdm s VAL 5 CO 0.11 -0.19 0.43 -0.44 -0.31 0.00 0.00 175.10 174.70 2hdm s SER 6 N -3.24 5.30 -0.25 4.85 0.01 -1.26 -5.01 113.70 114.10 2hdm s SER 6 Ca 0.30 -2.77 -0.16 0.00 1.31 0.00 0.00 55.95 54.63 2hdm s SER 6 Cb -0.09 -1.87 0.07 0.00 0.21 0.00 0.00 66.02 64.35 2hdm s SER 6 CO 0.21 -0.40 0.62 -0.62 0.41 0.00 0.00 173.24 173.46 2hdm s ASP 7 N 0.86 -0.78 0.07 2.44 -1.08 -1.26 -5.02 116.67 111.90 2hdm s ASP 7 Ca 0.16 1.32 -0.24 0.00 -0.52 0.00 0.00 52.55 53.28 2hdm s ASP 7 Cb -0.20 1.24 -0.16 0.00 -1.46 0.00 0.00 42.92 42.34 2hdm s ASP 7 CO -0.04 -0.23 1.66 0.11 0.52 0.00 0.00 175.17 177.20 2hdm h LYS 8 N 6.53 -0.01 -0.07 4.34 1.57 -1.97 -2.92 116.57 124.04 2hdm h LYS 8 Ca -0.31 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.27 2hdm h LYS 8 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 2hdm h LYS 8 CO 0.17 0.07 -0.78 0.00 -0.57 0.00 0.00 179.45 178.34 2hdm h ARG 9 N -0.09 0.44 0.00 3.15 -0.00 -2.03 -3.46 114.38 112.39 2hdm h ARG 9 Ca -0.00 -0.38 0.00 0.00 -0.50 0.00 0.00 59.98 59.09 2hdm h ARG 9 Cb 0.09 0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.15 2hdm h ARG 9 CO 0.00 1.03 0.00 2.41 0.00 0.00 0.00 179.97 183.41 2hdm n THR 10 N -3.82 0.00 -4.74 2.04 -1.04 -1.10 -4.84 114.28 100.77 2hdm n THR 10 Ca -0.05 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.63 2hdm n THR 10 Cb 0.74 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 69.13 2hdm n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hdm n VAL 12 N 2.10 1.08 -3.52 0.00 0.24 -1.26 -5.00 118.33 111.96 2hdm n VAL 12 Ca -0.17 -1.26 0.00 0.00 -2.04 0.00 0.00 64.34 60.87 2hdm n VAL 12 Cb 0.52 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 2hdm n VAL 12 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2hdm n SER 13 N -0.78 1.19 -3.67 -1.34 7.64 -1.26 -5.12 113.62 110.29 2hdm n SER 13 Ca 0.08 -0.52 -0.28 0.00 1.01 0.00 0.00 58.87 59.16 2hdm n SER 13 Cb 0.58 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.00 1.11 0.48 -3.43 1.43 -1.26 -4.70 118.68 112.30 2hdm s LEU 14 Ca 0.00 -1.06 -0.23 0.00 -1.03 0.00 0.00 54.13 51.81 2hdm s LEU 14 Cb 0.00 -0.53 -0.08 0.00 0.03 0.00 0.00 46.19 45.60 2hdm s LEU 14 CO 0.00 -0.37 1.18 1.07 0.23 0.00 0.00 176.35 178.46 2hdm n THR 15 N 5.09 2.96 0.61 5.49 5.66 0.10 -4.85 114.28 129.35 2hdm n THR 15 Ca -0.07 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.55 2hdm n THR 15 Cb 0.45 -1.42 0.20 0.00 -1.55 0.00 0.00 70.33 68.00 2hdm n THR 15 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2hdm n THR 16 N -0.69 0.31 -2.64 1.09 -2.24 -1.26 -4.64 114.28 104.21 2hdm n THR 16 Ca 0.09 -0.63 -0.23 0.00 -2.27 0.00 0.00 64.05 61.00 2hdm n THR 16 Cb 0.42 1.11 0.11 0.00 -2.10 0.00 0.00 70.33 69.87 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 -1.69 1.61 0.15 -0.78 -2.07 -1.26 -5.12 119.66 110.51 2hdm s GLN 17 Ca 0.35 -1.25 0.07 0.00 -1.82 0.00 0.00 55.36 52.71 2hdm s GLN 17 Cb 0.22 -2.35 -0.04 0.00 -1.09 0.00 0.00 33.01 29.75 2hdm s GLN 17 CO 0.31 -1.49 -0.14 1.03 -1.32 0.00 0.00 175.29 173.67 2hdm s ARG 18 N -5.14 1.13 -0.08 9.60 0.52 -1.26 -5.05 118.95 118.67 2hdm s ARG 18 Ca 0.67 -1.37 -0.00 0.00 -0.52 0.00 0.00 55.73 54.51 2hdm s ARG 18 Cb -0.04 -0.99 0.02 0.00 0.52 0.00 0.00 34.95 34.46 2hdm s ARG 18 CO 0.45 0.18 -0.04 -0.51 0.02 0.00 0.00 175.30 175.39 2hdm s LEU 19 N -2.75 0.99 0.65 2.53 1.02 -1.26 -5.14 118.68 114.72 2hdm s LEU 19 Ca 0.14 -0.19 -0.13 0.00 0.02 0.00 0.00 54.13 53.96 2hdm s LEU 19 Cb -0.03 -0.63 -0.01 0.00 0.02 0.00 0.00 46.19 45.54 2hdm s LEU 19 CO 0.04 -0.13 1.06 -2.16 0.02 0.00 0.00 176.35 175.18 2hdm s PRO 20 N 1.65 3.07 0.59 1.29 0.04 -1.26 -4.82 135.00 135.55 2hdm s PRO 20 Ca 0.02 1.12 0.40 0.00 0.04 0.00 0.00 61.00 62.57 2hdm s PRO 20 Cb -0.13 -2.00 2.14 0.00 0.04 0.00 0.00 34.50 34.55 2hdm s PRO 20 CO -0.05 -1.01 2.22 0.00 0.04 0.00 0.00 177.00 178.20 2hdm h SER 22 N 0.00 0.00 0.00 0.00 0.87 -2.04 -3.10 113.55 109.28 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 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2hdm h SER 22 CO 0.00 0.06 -0.98 0.54 -0.53 0.00 0.00 176.83 175.92 2hdm n ARG 23 N -3.13 0.87 -2.65 2.24 1.74 0.52 -4.91 116.66 111.35 2hdm n ARG 23 Ca 0.03 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.67 2hdm n ARG 23 Cb 0.48 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.51 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 -2.80 4.70 -0.12 0.55 -1.09 -0.70 -2.37 121.20 119.37 2hdm s ILE 24 Ca 0.05 1.94 -0.12 0.00 -2.23 0.00 0.00 60.65 60.30 2hdm s ILE 24 Cb 0.14 -4.24 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 2hdm s ILE 24 CO 0.76 0.14 -0.23 1.17 -1.23 0.00 0.00 174.94 175.55 2hdm n LYS 25 N 4.01 0.35 -3.94 2.79 4.81 -0.39 -4.81 118.16 120.99 2hdm n LYS 25 Ca 0.07 0.16 -0.10 0.00 -0.87 0.00 0.00 58.31 57.58 2hdm n LYS 25 Cb 0.50 -1.14 -0.06 0.00 0.02 0.00 0.00 35.03 34.35 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 -2.24 0.04 0.09 3.15 -1.32 -1.14 -5.01 115.64 109.20 2hdm s THR 26 Ca -0.19 -1.30 0.02 0.00 -1.21 0.00 0.00 61.69 59.01 2hdm s THR 26 Cb 0.03 -1.89 -0.04 0.00 -1.51 0.00 0.00 72.50 69.09 2hdm s THR 26 CO 0.28 -0.20 -0.06 -0.72 -2.21 0.00 0.00 174.62 171.71 2hdm s TYR 27 N -3.97 0.83 -0.06 9.09 1.13 -1.26 -0.34 117.35 122.77 2hdm s TYR 27 Ca 0.17 -0.87 -0.02 0.00 -1.41 0.00 0.00 57.07 54.94 2hdm s TYR 27 Cb 0.02 -0.49 0.03 0.00 -1.10 0.00 0.00 41.96 40.42 2hdm s TYR 27 CO 0.02 -0.16 0.07 0.99 -2.51 0.00 0.00 175.55 173.96 2hdm s THR 28 N -3.33 -0.12 -0.09 -3.49 2.01 0.82 -4.96 115.64 106.48 2hdm s THR 28 Ca 0.08 0.35 -0.17 0.00 0.31 0.00 0.00 61.69 62.26 2hdm s THR 28 Cb 0.03 -0.21 -0.05 0.00 0.01 0.00 0.00 72.50 72.29 2hdm s THR 28 CO -0.04 0.12 0.46 -0.63 -0.69 0.00 0.00 174.62 173.83 2hdm s ILE 29 N 2.17 5.14 0.10 1.82 1.01 -1.26 0.21 121.20 130.40 2hdm s ILE 29 Ca 0.05 0.92 0.08 0.00 0.00 0.00 0.00 60.65 61.69 2hdm s ILE 29 Cb -0.12 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2hdm s ILE 29 CO -0.04 0.39 -0.20 0.42 0.00 0.00 0.00 174.94 175.51 2hdm s THR 30 N 0.19 1.66 0.09 2.92 -4.23 0.80 -4.71 115.64 112.35 2hdm s THR 30 Ca 0.25 -1.56 0.06 0.00 -1.18 0.00 0.00 61.69 59.26 2hdm s THR 30 Cb -0.15 -1.54 -0.03 0.00 1.34 0.00 0.00 72.50 72.12 2hdm s THR 30 CO 0.11 -0.10 -0.15 -1.83 -0.54 0.00 0.00 174.62 172.11 2hdm s GLU 31 N -1.98 0.90 0.00 3.99 1.03 -1.26 -1.36 118.70 120.02 2hdm s GLU 31 Ca 0.06 -1.05 0.00 0.00 0.03 0.00 0.00 54.97 54.02 2hdm s GLU 31 Cb -0.10 -0.89 0.00 0.00 -0.80 0.00 0.00 34.13 32.35 2hdm s GLU 31 CO 0.04 0.19 0.00 0.41 -1.33 0.00 0.00 175.26 174.57 2hdm n GLY 32 N 1.06 -1.39 0.10 -3.83 0.00 -1.26 -4.88 105.19 94.99 2hdm n GLY 32 Ca -0.19 0.53 0.08 0.00 0.00 0.00 0.00 46.02 46.44 2hdm n GLY 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hdm n SER 33 N 0.00 0.83 -3.76 1.61 3.41 -1.26 -4.92 113.62 109.53 2hdm n SER 33 Ca 0.00 0.33 -0.10 0.00 -0.26 0.00 0.00 58.87 58.85 2hdm n SER 33 Cb 0.00 0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 2hdm n SER 33 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2hdm s LEU 34 N -5.47 0.95 -0.42 1.04 2.34 -1.26 -5.11 118.68 110.75 2hdm s LEU 34 Ca -0.02 -0.44 -0.15 0.00 0.06 0.00 0.00 54.13 53.58 2hdm s LEU 34 Cb 0.09 1.39 0.02 0.00 -0.56 0.00 0.00 46.19 47.14 2hdm s LEU 34 CO 0.80 -0.75 0.33 -0.60 -1.06 0.00 0.00 176.35 175.06 2hdm s ARG 35 N -3.59 2.99 -0.04 1.48 6.06 -1.26 -4.09 118.95 120.50 2hdm s ARG 35 Ca 0.02 -1.02 0.04 0.00 -2.50 0.00 0.00 55.73 52.27 2hdm s ARG 35 Cb 0.03 -3.99 -0.00 0.00 0.06 0.00 0.00 34.95 31.04 2hdm s ARG 35 CO -0.10 -0.79 -0.14 0.00 -2.50 0.00 0.00 175.30 171.78 2hdm s ALA 36 N 1.73 1.24 -0.37 6.12 0.00 -0.47 -4.38 121.76 125.64 2hdm s ALA 36 Ca 0.06 -0.54 -0.16 0.00 0.00 0.00 0.00 51.96 51.32 2hdm s ALA 36 Cb -0.19 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 2hdm s ALA 36 CO 0.10 0.22 0.40 0.08 0.00 0.00 0.00 175.76 176.56 2hdm s VAL 37 N 0.10 5.12 -0.43 0.00 1.01 -0.07 -0.14 120.40 125.99 2hdm s VAL 37 Ca -0.03 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 2hdm s VAL 37 Cb -0.10 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.40 2hdm s VAL 37 CO 0.01 -0.20 0.45 -0.63 0.00 0.00 0.00 175.10 174.73 2hdm s ILE 38 N 2.10 5.08 -0.02 2.22 1.01 0.13 -0.01 121.20 131.71 2hdm s ILE 38 Ca 0.13 -0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.26 2hdm s ILE 38 Cb -0.17 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 2hdm s ILE 38 CO 0.12 -0.45 0.38 -0.36 0.00 0.00 0.00 174.94 174.63 2hdm s PHE 39 N 2.16 3.69 -0.19 3.97 0.08 0.58 -0.12 117.98 128.15 2hdm s PHE 39 Ca 0.12 0.93 -0.05 0.00 0.12 0.00 0.00 56.93 58.05 2hdm s PHE 39 Cb -0.17 -2.28 -0.03 0.00 -0.57 0.00 0.00 43.02 39.97 2hdm s PHE 39 CO 0.13 0.61 0.00 0.42 -0.10 0.00 0.00 175.22 176.29 2hdm s ILE 40 N -0.91 4.05 0.59 0.64 -1.09 0.54 0.18 121.20 125.21 2hdm s ILE 40 Ca 0.23 -0.28 -0.05 0.00 -2.23 0.00 0.00 60.65 58.31 2hdm s ILE 40 Cb -0.16 -2.83 0.01 0.00 -1.58 0.00 0.00 42.46 37.91 2hdm s ILE 40 CO 0.12 0.44 0.90 0.28 -1.23 0.00 0.00 174.94 175.44 2hdm s THR 41 N 0.84 3.55 -0.70 2.92 -1.32 -0.81 -1.26 115.64 118.87 2hdm s THR 41 Ca 0.01 -0.05 0.18 0.00 -1.21 0.00 0.00 61.69 60.61 2hdm s THR 41 Cb -0.14 -3.41 0.17 0.00 -1.51 0.00 0.00 72.50 67.61 2hdm s THR 41 CO 0.02 -0.42 1.55 0.29 -2.21 0.00 0.00 174.62 173.85 2hdm n LYS 42 N -2.58 0.10 0.21 7.08 5.02 -1.00 -0.80 118.16 126.20 2hdm n LYS 42 Ca 0.05 0.39 0.14 0.00 -2.02 0.00 0.00 58.31 56.86 2hdm n LYS 42 Cb 0.58 -1.71 0.44 0.00 -0.02 0.00 0.00 35.03 34.32 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 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.21 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 0.59 0.88 3.93 2.80 0.00 0.02 -5.08 105.19 108.34 2hdm n GLY 44 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.26 0.99 1.43 -1.26 -4.90 118.68 119.02 2hdm s LEU 45 Ca 0.00 0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.18 2hdm s LEU 45 Cb 0.00 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 2hdm s LEU 45 CO 0.00 0.08 0.40 -0.54 0.23 0.00 0.00 176.35 176.52 2hdm s LYS 46 N -3.00 4.04 0.08 1.70 1.02 -1.26 -1.91 119.74 120.41 2hdm s LYS 46 Ca 0.35 0.10 0.07 0.00 0.02 0.00 0.00 55.97 56.52 2hdm s LYS 46 Cb -0.12 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.51 2hdm s LYS 46 CO 0.28 -0.26 -0.14 0.08 -0.92 0.00 0.00 175.35 174.39 2hdm s VAL 47 N 2.02 3.08 -0.11 3.17 1.01 0.13 -4.88 120.40 124.82 2hdm s VAL 47 Ca 0.16 -1.28 0.03 0.00 0.00 0.00 0.00 61.98 60.90 2hdm s VAL 47 Cb -0.16 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.84 2hdm s VAL 47 CO 0.09 0.19 -0.20 0.00 0.00 0.00 0.00 175.10 175.18 2hdm s ALA 49 N 0.71 1.12 -0.00 0.00 0.00 0.98 0.00 121.76 124.57 2hdm s ALA 49 Ca -0.11 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.44 2hdm s ALA 49 Cb -0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2hdm s ALA 49 CO 0.02 0.04 1.22 -0.51 0.00 0.00 0.00 175.76 176.53 2hdm s ASP 50 N -2.16 7.04 0.00 0.00 1.11 -1.26 -0.90 116.67 120.50 2hdm s ASP 50 Ca 0.02 1.92 0.16 0.00 0.18 0.00 0.00 52.55 54.83 2hdm s ASP 50 Cb -0.06 -2.57 0.71 0.00 1.07 0.00 0.00 42.92 42.07 2hdm s ASP 50 CO 0.01 -0.55 1.48 -0.81 1.18 0.00 0.00 175.17 176.48 2hdm n PRO 51 N 4.73 0.07 0.05 8.23 -0.04 -1.26 -1.59 135.00 145.19 2hdm n PRO 51 Ca 0.10 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 2hdm n PRO 51 Cb 0.46 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.27 -2.38 0.54 1.13 -1.26 -4.56 117.38 109.68 2hdm n GLN 52 Ca 0.05 0.05 -0.41 0.00 -1.94 0.00 0.00 57.00 54.75 2hdm n GLN 52 Cb 0.16 -1.64 -0.03 0.00 0.11 0.00 0.00 30.24 28.84 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 -3.16 3.43 0.36 -1.58 0.00 -0.62 -4.92 121.76 115.26 2hdm s ALA 53 Ca 0.06 0.94 0.04 0.00 0.00 0.00 0.00 51.96 53.00 2hdm s ALA 53 Cb 0.14 -3.41 0.67 0.00 0.00 0.00 0.00 23.12 20.52 2hdm s ALA 53 CO 0.74 -0.37 1.98 1.15 0.00 0.00 0.00 175.76 179.26 2hdm h THR 54 N 3.79 1.16 -0.01 0.00 2.02 -1.90 0.31 112.91 118.28 2hdm h THR 54 Ca -0.44 -0.43 -0.13 0.00 0.77 0.00 0.00 66.41 66.19 2hdm h THR 54 Cb 1.21 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 2hdm h THR 54 CO 0.75 0.18 -0.59 4.11 0.37 0.00 0.00 175.52 180.34 2hdm h TRP 55 N 0.68 0.03 0.10 3.16 5.08 -1.93 -2.08 115.95 120.99 2hdm h TRP 55 Ca 0.17 -0.01 -0.00 0.00 1.08 0.00 0.00 58.89 60.13 2hdm h TRP 55 Cb 0.05 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 26.20 2hdm h TRP 55 CO 0.00 0.61 -0.05 0.28 -1.28 0.00 0.00 178.44 178.00 2hdm h VAL 56 N 0.02 1.07 -0.70 0.12 2.07 -1.62 -2.64 116.25 114.57 2hdm h VAL 56 Ca -0.01 -1.34 0.11 0.00 0.82 0.00 0.00 66.70 66.29 2hdm h VAL 56 Cb 1.04 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 32.60 2hdm h VAL 56 CO 0.08 0.29 0.46 0.03 0.02 0.00 0.00 177.57 178.45 2hdm h ARG 57 N -0.83 0.47 -0.26 1.57 3.08 -0.93 0.55 114.38 118.04 2hdm h ARG 57 Ca -0.01 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 2hdm h ARG 57 Cb 0.58 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2hdm h ARG 57 CO 0.02 0.31 0.02 0.22 -1.07 0.00 0.00 179.97 179.47 2hdm h ASP 58 N 0.49 0.44 0.27 7.04 3.58 -1.41 -3.11 116.42 123.71 2hdm h ASP 58 Ca 0.33 -0.29 -0.33 0.00 0.42 0.00 0.00 57.03 57.16 2hdm h ASP 58 Cb 0.62 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.50 2hdm h ASP 58 CO -0.11 0.62 -1.98 0.00 -2.88 0.00 0.00 179.24 174.90 2hdm h VAL 60 N 0.02 0.70 0.00 0.00 3.04 -0.12 -0.29 116.25 119.59 2hdm h VAL 60 Ca -0.40 -0.19 -0.29 0.00 -1.01 0.00 0.00 66.70 64.82 2hdm h VAL 60 Cb 2.06 1.11 -0.05 0.00 -2.01 0.00 0.00 31.29 32.40 2hdm h VAL 60 CO 0.06 0.05 -2.11 0.54 -1.01 0.00 0.00 177.57 175.10 2hdm n ARG 61 N -4.00 0.67 -0.33 4.17 1.74 -1.18 -3.70 116.66 114.04 2hdm n ARG 61 Ca -0.03 0.05 -0.04 0.00 -0.77 0.00 0.00 57.85 57.07 2hdm n ARG 61 Cb 0.13 -1.60 0.09 0.00 -1.02 0.00 0.00 32.46 30.07 2hdm n ARG 61 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2hdm h SER 62 N 0.00 1.12 -0.44 0.55 0.87 -0.40 0.08 113.55 115.33 2hdm h SER 62 Ca -0.39 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.00 2hdm h SER 62 Cb 1.98 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 63.63 2hdm h SER 62 CO 0.04 0.90 0.07 0.24 -0.53 0.00 0.00 176.83 177.55 2hdm h MET 63 N 1.25 0.80 -0.08 2.24 2.86 -1.23 -1.80 114.93 118.97 2hdm h MET 63 Ca 0.31 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 2hdm h MET 63 Cb 0.05 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2hdm h MET 63 CO -0.05 0.76 -0.41 0.22 1.06 0.00 0.00 176.91 178.49 2hdm h ASP 64 N 0.76 0.19 0.09 1.22 3.58 -1.45 -2.52 116.42 118.29 2hdm h ASP 64 Ca 0.16 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 2hdm h ASP 64 Cb 0.36 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 2hdm h ASP 64 CO 0.01 0.59 -0.07 0.03 -2.88 0.00 0.00 179.24 176.92 2hdm h ARG 65 N 0.16 0.00 0.00 0.28 3.08 -0.12 -0.83 114.38 116.94 2hdm h ARG 65 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2hdm h ARG 65 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2hdm h ARG 65 CO 0.06 0.07 0.00 1.63 -1.07 0.00 0.00 179.97 180.66 2hdm n LYS 66 N -4.29 0.15 0.00 0.04 4.76 -0.95 -4.88 118.16 113.00 2hdm n LYS 66 Ca -0.03 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2hdm n LYS 66 Cb 0.15 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 2hdm n LYS 66 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2hdm n SER 67 N -1.42 1.14 -3.15 4.39 7.64 -0.32 -5.12 113.62 116.79 2hdm n SER 67 Ca 0.09 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.02 2hdm n SER 67 Cb 0.28 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.47 2hdm n SER 67 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2hdm s ASN 68 N 1.60 -0.98 -0.07 6.43 3.84 -1.23 -4.89 114.94 119.65 2hdm s ASN 68 Ca 0.00 0.34 -0.12 0.00 0.21 0.00 0.00 52.86 53.29 2hdm s ASN 68 Cb 0.00 1.71 0.02 0.00 -0.55 0.00 0.00 41.25 42.44 2hdm s ASN 68 CO 0.00 -0.18 0.30 0.28 -2.79 0.00 0.00 177.10 174.70 2hdm s THR 69 N 2.90 0.03 -1.01 -5.21 -1.32 -1.26 -5.08 115.64 104.69 2hdm s THR 69 Ca 0.14 -0.25 -0.18 0.00 -1.21 0.00 0.00 61.69 60.20 2hdm s THR 69 Cb -0.09 -0.51 0.14 0.00 -1.51 0.00 0.00 72.50 70.53 2hdm s THR 69 CO -0.20 -0.14 1.23 -0.13 -2.21 0.00 0.00 174.62 173.17 2hdm s ARG 70 N -0.56 3.73 -1.07 7.08 1.81 -1.26 -4.93 118.95 123.75 2hdm s ARG 70 Ca -0.07 -1.95 -0.16 0.00 -1.72 0.00 0.00 55.73 51.84 2hdm s ARG 70 Cb -0.04 -4.98 0.16 0.00 -0.45 0.00 0.00 34.95 29.64 2hdm s ARG 70 CO 0.02 -1.80 1.26 1.21 -0.68 0.00 0.00 175.30 175.32 2hdm s ASN 71 N 3.49 6.89 0.00 0.23 3.84 -1.26 -4.89 114.94 123.24 2hdm s ASN 71 Ca 0.36 -2.63 0.00 0.00 0.21 0.00 0.00 52.86 50.80 2hdm s ASN 71 Cb -0.04 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.28 2hdm s ASN 71 CO -0.07 -0.84 0.00 0.59 -2.79 0.00 0.00 177.10 173.99 2hdm n ASN 72 N 5.78 0.00 0.08 -4.21 4.13 -1.26 -2.84 115.26 116.94 2hdm n ASN 72 Ca 0.30 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.46 2hdm n ASN 72 Cb 0.45 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.61 2hdm n ASN 72 CO 0.00 0.00 0.00 -0.03 0.28 0.00 0.00 177.26 177.51 2hdm h MET 73 N 0.00 0.13 -6.16 3.52 4.05 -1.90 -3.41 114.93 111.16 2hdm h MET 73 Ca 0.00 -0.19 -0.51 0.00 -0.28 0.00 0.00 59.70 58.72 2hdm h MET 73 Cb 0.00 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 30.80 2hdm h MET 73 CO 0.00 1.04 1.19 0.96 0.23 0.00 0.00 176.91 180.32 2hdm s ILE 74 N -2.86 3.58 0.00 1.77 -4.36 -1.13 -5.21 121.20 112.98 2hdm s ILE 74 Ca -0.02 0.20 0.00 0.00 -0.26 0.00 0.00 60.65 60.57 2hdm s ILE 74 Cb 0.09 -4.51 0.00 0.00 1.25 0.00 0.00 42.46 39.30 2hdm s ILE 74 CO 0.84 -1.45 0.32 1.67 0.24 0.00 0.00 174.94 176.56