#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 1.99 0.16 1.61 7.64 -1.26 -4.38 113.62 119.39 2hdm n SER 3 Ca 0.00 0.08 0.05 0.00 1.01 0.00 0.00 58.87 60.00 2hdm n SER 3 Cb 0.00 -0.63 0.09 0.00 -1.01 0.00 0.00 64.21 62.65 2hdm n SER 3 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2hdm h GLU 4 N -0.29 0.00 -4.82 1.43 5.08 -2.04 -3.41 114.58 110.53 2hdm h GLU 4 Ca -0.56 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.10 2hdm h GLU 4 Cb 1.82 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.88 2hdm h GLU 4 CO -0.14 0.40 0.02 0.54 -1.00 0.00 0.00 179.01 178.83 2hdm s VAL 5 N -3.06 4.90 -0.30 3.13 0.11 -1.26 -4.21 120.40 119.72 2hdm s VAL 5 Ca 0.04 -0.68 -0.17 0.00 -2.93 0.00 0.00 61.98 58.24 2hdm s VAL 5 Cb 0.07 -4.32 -0.02 0.00 -1.53 0.00 0.00 36.38 30.58 2hdm s VAL 5 CO 0.72 -0.85 0.49 -0.44 -3.33 0.00 0.00 175.10 171.69 2hdm s SER 6 N 2.90 6.36 0.86 3.54 0.01 -0.32 -4.86 113.70 122.19 2hdm s SER 6 Ca 0.13 0.28 -0.13 0.00 1.31 0.00 0.00 55.95 57.54 2hdm s SER 6 Cb -0.21 -2.26 0.12 0.00 0.21 0.00 0.00 66.02 63.88 2hdm s SER 6 CO 0.10 -0.34 1.22 1.51 0.41 0.00 0.00 173.24 176.14 2hdm s ASP 7 N 1.65 4.01 0.00 2.44 -4.77 -1.26 -4.73 116.67 114.00 2hdm s ASP 7 Ca 0.19 0.56 0.00 0.00 -3.30 0.00 0.00 52.55 50.00 2hdm s ASP 7 Cb -0.16 -0.89 0.00 0.00 -1.09 0.00 0.00 42.92 40.79 2hdm s ASP 7 CO 0.11 -2.19 0.00 0.29 0.70 0.00 0.00 175.17 174.07 2hdm n LYS 8 N -3.45 0.00 0.08 2.11 5.02 -1.26 -4.66 118.16 116.00 2hdm n LYS 8 Ca 0.11 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.52 2hdm n LYS 8 Cb 0.60 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.79 2hdm n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2hdm h ARG 9 N 0.00 0.00 -5.48 1.97 3.08 -2.05 -3.43 114.38 108.47 2hdm h ARG 9 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 2hdm h ARG 9 Cb 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 29.72 2hdm h ARG 9 CO 0.00 0.00 -0.88 0.99 -1.07 0.00 0.00 179.97 179.01 2hdm s THR 10 N -3.18 2.00 0.14 2.04 2.01 -1.26 -4.94 115.64 112.44 2hdm s THR 10 Ca 0.06 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 61.14 2hdm s THR 10 Cb 0.12 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 2hdm s THR 10 CO 0.71 0.55 -0.07 0.00 -0.69 0.00 0.00 174.62 175.12 2hdm n VAL 12 N 0.36 0.15 -4.38 0.00 0.24 -1.26 -4.83 118.33 108.61 2hdm n VAL 12 Ca -0.12 -0.57 -0.28 0.00 -2.04 0.00 0.00 64.34 61.32 2hdm n VAL 12 Cb 0.54 0.97 -0.12 0.00 -1.47 0.00 0.00 33.84 33.75 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 -0.31 3.48 -0.03 -1.34 1.04 -1.26 -5.13 113.70 110.16 2hdm s SER 13 Ca 0.03 -0.74 -0.00 0.00 0.48 0.00 0.00 55.95 55.72 2hdm s SER 13 Cb 0.02 -0.30 0.03 0.00 0.10 0.00 0.00 66.02 65.87 2hdm s SER 13 CO 0.03 0.16 0.02 -0.76 0.98 0.00 0.00 173.24 173.68 2hdm s LEU 14 N -2.26 0.99 0.11 2.42 1.43 -1.26 -4.58 118.68 115.52 2hdm s LEU 14 Ca 0.17 0.02 -0.25 0.00 -1.03 0.00 0.00 54.13 53.04 2hdm s LEU 14 Cb -0.10 -0.13 -0.07 0.00 0.03 0.00 0.00 46.19 45.93 2hdm s LEU 14 CO 0.08 -0.14 0.75 0.28 0.23 0.00 0.00 176.35 177.56 2hdm s THR 15 N 1.20 4.54 -1.16 5.49 -1.32 0.13 -4.74 115.64 119.77 2hdm s THR 15 Ca -0.07 1.63 0.20 0.00 -1.21 0.00 0.00 61.69 62.24 2hdm s THR 15 Cb -0.13 -4.11 -0.18 0.00 -1.51 0.00 0.00 72.50 66.58 2hdm s THR 15 CO -0.03 0.46 0.90 0.41 -2.21 0.00 0.00 174.62 174.16 2hdm n THR 16 N 2.08 0.00 -2.12 5.08 -1.04 -1.26 -1.93 114.28 115.09 2hdm n THR 16 Ca -0.05 -0.08 -0.27 0.00 -2.04 0.00 0.00 64.05 61.61 2hdm n THR 16 Cb 0.49 1.05 0.11 0.00 -1.82 0.00 0.00 70.33 70.17 2hdm n THR 16 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2hdm s GLN 17 N -2.80 1.60 -0.05 -2.82 -1.52 -1.26 -5.03 119.66 107.79 2hdm s GLN 17 Ca 0.10 -0.35 0.03 0.00 -1.95 0.00 0.00 55.36 53.18 2hdm s GLN 17 Cb 0.16 -2.05 -0.03 0.00 -0.22 0.00 0.00 33.01 30.87 2hdm s GLN 17 CO 0.77 -1.70 -0.11 1.03 -0.25 0.00 0.00 175.29 175.03 2hdm s ARG 18 N -5.49 2.58 0.03 2.91 0.52 -1.26 -4.97 118.95 113.26 2hdm s ARG 18 Ca 0.66 -0.66 0.03 0.00 -0.52 0.00 0.00 55.73 55.24 2hdm s ARG 18 Cb -0.08 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 2hdm s ARG 18 CO 0.48 0.63 0.00 -0.51 0.02 0.00 0.00 175.30 175.92 2hdm s LEU 19 N -0.84 3.49 0.23 2.53 1.02 -1.26 -5.07 118.68 118.78 2hdm s LEU 19 Ca 0.12 -0.07 -0.32 0.00 0.02 0.00 0.00 54.13 53.89 2hdm s LEU 19 Cb -0.11 -2.08 -0.13 0.00 0.02 0.00 0.00 46.19 43.89 2hdm s LEU 19 CO 0.02 0.24 1.44 -2.65 0.02 0.00 0.00 176.35 175.42 2hdm n PRO 20 N 1.12 2.08 0.29 1.29 -0.02 -1.26 -4.84 135.00 133.64 2hdm n PRO 20 Ca -0.13 0.74 0.17 0.00 -2.02 0.00 0.00 63.50 62.26 2hdm n PRO 20 Cb 0.52 -2.42 0.79 0.00 -0.02 0.00 0.00 33.50 32.37 2hdm n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hdm n SER 22 N -3.17 0.66 0.00 0.00 7.64 -1.26 -1.57 113.62 115.92 2hdm n SER 22 Ca -0.00 0.67 0.11 0.00 1.01 0.00 0.00 58.87 60.66 2hdm n SER 22 Cb 0.26 -0.81 0.10 0.00 -1.01 0.00 0.00 64.21 62.75 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 -2.24 0.02 -2.50 1.43 1.74 0.22 -4.89 116.66 110.44 2hdm n ARG 23 Ca 0.02 -0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 2hdm n ARG 23 Cb 0.22 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 30.12 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 -3.01 3.91 -0.02 0.55 -1.09 -0.61 -2.09 121.20 118.84 2hdm s ILE 24 Ca 0.09 1.60 -0.04 0.00 -2.23 0.00 0.00 60.65 60.07 2hdm s ILE 24 Cb 0.17 -4.02 -0.02 0.00 -1.58 0.00 0.00 42.46 37.00 2hdm s ILE 24 CO 0.77 0.25 -0.09 1.17 -1.23 0.00 0.00 174.94 175.81 2hdm n LYS 25 N 2.60 0.14 -3.90 2.79 0.00 -0.74 -4.75 118.16 114.30 2hdm n LYS 25 Ca 0.04 0.06 -0.09 0.00 0.00 0.00 0.00 58.31 58.31 2hdm n LYS 25 Cb 0.46 -0.74 -0.05 0.00 0.00 0.00 0.00 35.03 34.70 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 -2.18 0.03 0.17 3.15 -1.32 -1.03 -5.01 115.64 109.45 2hdm s THR 26 Ca -0.09 -1.20 0.01 0.00 -1.21 0.00 0.00 61.69 59.20 2hdm s THR 26 Cb 0.02 -1.88 -0.05 0.00 -1.51 0.00 0.00 72.50 69.09 2hdm s THR 26 CO 0.12 -0.14 0.02 -0.72 -2.21 0.00 0.00 174.62 171.68 2hdm s TYR 27 N -3.95 1.18 -0.08 9.09 -0.85 -1.26 -0.03 117.35 121.44 2hdm s TYR 27 Ca 0.16 -1.06 -0.03 0.00 -0.52 0.00 0.00 57.07 55.62 2hdm s TYR 27 Cb 0.01 -0.67 0.04 0.00 0.38 0.00 0.00 41.96 41.72 2hdm s TYR 27 CO 0.02 -0.27 0.09 0.99 -1.52 0.00 0.00 175.55 174.86 2hdm s THR 28 N -3.73 -0.13 -0.17 -3.49 2.01 0.12 -4.95 115.64 105.30 2hdm s THR 28 Ca 0.25 0.28 -0.17 0.00 0.31 0.00 0.00 61.69 62.35 2hdm s THR 28 Cb 0.06 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 2hdm s THR 28 CO 0.04 0.06 0.44 -0.63 -0.69 0.00 0.00 174.62 173.85 2hdm s ILE 29 N 2.19 5.18 -0.04 1.82 1.01 -1.26 0.00 121.20 130.11 2hdm s ILE 29 Ca 0.04 0.82 -0.03 0.00 0.00 0.00 0.00 60.65 61.49 2hdm s ILE 29 Cb -0.13 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2hdm s ILE 29 CO -0.05 0.27 0.12 0.42 0.00 0.00 0.00 174.94 175.69 2hdm s THR 30 N 1.12 5.06 0.04 2.92 -4.23 -0.02 -4.98 115.64 115.55 2hdm s THR 30 Ca 0.22 -0.20 0.04 0.00 -1.18 0.00 0.00 61.69 60.57 2hdm s THR 30 Cb -0.15 -3.29 -0.02 0.00 1.34 0.00 0.00 72.50 70.38 2hdm s THR 30 CO 0.09 0.42 -0.11 -1.83 -0.54 0.00 0.00 174.62 172.64 2hdm s GLU 31 N -1.59 0.74 0.00 3.99 -1.05 -1.26 -3.24 118.70 116.29 2hdm s GLU 31 Ca 0.22 -0.72 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 2hdm s GLU 31 Cb -0.12 -0.68 0.00 0.00 -0.44 0.00 0.00 34.13 32.89 2hdm s GLU 31 CO 0.12 0.16 0.00 0.41 0.95 0.00 0.00 175.26 176.90 2hdm n GLY 32 N 1.81 1.73 3.23 -3.83 0.00 -1.26 -4.96 105.19 101.91 2hdm n GLY 32 Ca -0.19 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 2hdm n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hdm s SER 33 N -4.00 5.81 -0.10 1.61 0.01 -1.26 -4.80 113.70 110.97 2hdm s SER 33 Ca 0.00 -1.92 -0.07 0.00 1.31 0.00 0.00 55.95 55.27 2hdm s SER 33 Cb 0.00 -2.05 0.03 0.00 0.21 0.00 0.00 66.02 64.21 2hdm s SER 33 CO 0.00 -0.72 0.14 -0.11 0.41 0.00 0.00 173.24 172.96 2hdm n LEU 34 N 4.94 -5.43 -4.61 2.44 7.94 -1.26 -4.85 117.00 116.17 2hdm n LEU 34 Ca -0.08 1.99 -0.43 0.00 -1.11 0.00 0.00 56.01 56.38 2hdm n LEU 34 Cb 0.41 -2.83 -0.03 0.00 0.53 0.00 0.00 43.42 41.51 2hdm n LEU 34 CO 0.45 -2.98 1.42 -0.13 -1.11 0.00 0.00 177.39 175.03 2hdm s ARG 35 N -0.79 3.57 -0.05 1.96 0.52 -1.26 -4.75 118.95 118.15 2hdm s ARG 35 Ca -0.17 1.45 0.06 0.00 -0.52 0.00 0.00 55.73 56.55 2hdm s ARG 35 Cb 0.01 -4.10 -0.01 0.00 0.52 0.00 0.00 34.95 31.37 2hdm s ARG 35 CO 0.45 -1.57 -0.23 0.00 0.02 0.00 0.00 175.30 173.97 2hdm s ALA 36 N 5.94 1.97 -0.36 2.13 0.00 -1.20 -4.57 121.76 125.67 2hdm s ALA 36 Ca 0.73 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 2hdm s ALA 36 Cb -0.22 -0.61 -0.00 0.00 0.00 0.00 0.00 23.12 22.29 2hdm s ALA 36 CO 0.32 0.38 0.41 0.08 0.00 0.00 0.00 175.76 176.94 2hdm s VAL 37 N -0.13 5.12 -0.37 0.00 1.01 -0.89 -0.84 120.40 124.30 2hdm s VAL 37 Ca -0.03 -0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 2hdm s VAL 37 Cb -0.13 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2hdm s VAL 37 CO 0.03 -0.20 0.29 -0.63 0.00 0.00 0.00 175.10 174.59 2hdm s ILE 38 N 2.11 5.25 -0.21 2.22 1.01 0.10 0.11 121.20 131.79 2hdm s ILE 38 Ca 0.13 -0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 2hdm s ILE 38 Cb -0.16 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 2hdm s ILE 38 CO 0.12 -0.16 0.23 -0.36 0.00 0.00 0.00 174.94 174.77 2hdm s PHE 39 N 1.76 3.37 -0.26 3.97 0.08 0.18 0.12 117.98 127.22 2hdm s PHE 39 Ca 0.07 0.40 -0.16 0.00 0.12 0.00 0.00 56.93 57.35 2hdm s PHE 39 Cb -0.18 -2.32 -0.03 0.00 -0.57 0.00 0.00 43.02 39.92 2hdm s PHE 39 CO 0.11 0.12 0.44 0.42 -0.10 0.00 0.00 175.22 176.21 2hdm s ILE 40 N 0.87 5.12 0.54 0.64 -1.09 0.96 -0.00 121.20 128.25 2hdm s ILE 40 Ca 0.12 0.73 -0.08 0.00 -2.23 0.00 0.00 60.65 59.19 2hdm s ILE 40 Cb -0.13 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 2hdm s ILE 40 CO 0.04 0.13 0.90 0.28 -1.23 0.00 0.00 174.94 175.06 2hdm s THR 41 N 2.14 4.81 -0.34 2.92 -1.32 0.53 -1.79 115.64 122.59 2hdm s THR 41 Ca 0.18 0.54 0.19 0.00 -1.21 0.00 0.00 61.69 61.40 2hdm s THR 41 Cb -0.16 -3.86 0.20 0.00 -1.51 0.00 0.00 72.50 67.17 2hdm s THR 41 CO 0.09 -0.98 1.59 0.29 -2.21 0.00 0.00 174.62 173.41 2hdm n LYS 42 N -2.46 0.13 0.00 7.08 5.02 -0.89 -0.35 118.16 126.70 2hdm n LYS 42 Ca 0.03 0.58 0.14 0.00 -2.02 0.00 0.00 58.31 57.05 2hdm n LYS 42 Cb 0.55 -1.89 0.62 0.00 -0.02 0.00 0.00 35.03 34.28 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 -2.16 0.07 -0.04 1.97 0.63 -1.26 -4.90 116.66 110.97 2hdm n ARG 43 Ca -0.01 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2hdm n ARG 43 Cb 0.06 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.47 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 1.47 0.48 3.90 5.14 0.00 0.53 -5.06 105.19 111.64 2hdm n GLY 44 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 4.13 -0.23 0.99 1.43 -1.24 -4.87 118.68 118.88 2hdm s LEU 45 Ca 0.00 0.73 -0.06 0.00 -1.03 0.00 0.00 54.13 53.76 2hdm s LEU 45 Cb 0.00 -3.51 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 2hdm s LEU 45 CO 0.00 -0.12 0.04 -1.59 0.23 0.00 0.00 176.35 174.91 2hdm s LYS 46 N -3.22 3.61 0.14 1.70 -2.85 -1.26 -0.35 119.74 117.51 2hdm s LYS 46 Ca 0.44 -0.50 0.09 0.00 -1.00 0.00 0.00 55.97 55.00 2hdm s LYS 46 Cb -0.11 -3.23 -0.04 0.00 -2.06 0.00 0.00 37.83 32.39 2hdm s LYS 46 CO 0.27 -0.14 -0.17 0.08 0.10 0.00 0.00 175.35 175.48 2hdm s VAL 47 N 1.45 2.84 -0.13 1.79 1.01 1.00 -1.17 120.40 127.20 2hdm s VAL 47 Ca 0.05 -1.60 0.03 0.00 0.00 0.00 0.00 61.98 60.46 2hdm s VAL 47 Cb -0.15 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.90 2hdm s VAL 47 CO 0.02 0.03 -0.22 0.00 0.00 0.00 0.00 175.10 174.94 2hdm s ALA 49 N 0.61 2.19 -0.13 0.00 0.00 0.12 -0.69 121.76 123.85 2hdm s ALA 49 Ca -0.12 -1.41 -0.29 0.00 0.00 0.00 0.00 51.96 50.14 2hdm s ALA 49 Cb -0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 2hdm s ALA 49 CO 0.03 0.47 1.19 0.34 0.00 0.00 0.00 175.76 177.78 2hdm s ASP 50 N -2.06 7.03 0.00 0.00 2.15 -0.81 -2.09 116.67 120.88 2hdm s ASP 50 Ca 0.12 1.67 0.11 0.00 0.43 0.00 0.00 52.55 54.88 2hdm s ASP 50 Cb -0.10 -2.55 0.50 0.00 -0.30 0.00 0.00 42.92 40.47 2hdm s ASP 50 CO 0.06 -0.66 1.35 -0.81 -0.17 0.00 0.00 175.17 174.93 2hdm n PRO 51 N 5.96 0.02 0.00 4.34 -0.04 -1.26 -1.57 135.00 142.45 2hdm n PRO 51 Ca 0.12 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 2hdm n PRO 51 Cb 0.46 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.47 0.02 -2.37 0.54 6.02 -1.26 -4.54 117.38 114.33 2hdm n GLN 52 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 2hdm n GLN 52 Cb 0.13 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 2hdm n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hdm s ALA 53 N -3.02 3.49 0.40 -1.58 0.00 -0.61 -4.91 121.76 115.52 2hdm s ALA 53 Ca 0.10 0.81 0.07 0.00 0.00 0.00 0.00 51.96 52.93 2hdm s ALA 53 Cb 0.17 -3.51 0.83 0.00 0.00 0.00 0.00 23.12 20.61 2hdm s ALA 53 CO 0.74 -0.67 2.02 1.15 0.00 0.00 0.00 175.76 179.01 2hdm h THR 54 N 4.75 1.07 -0.12 0.00 2.02 -1.87 -0.74 112.91 118.02 2hdm h THR 54 Ca -0.38 -0.21 -0.14 0.00 0.77 0.00 0.00 66.41 66.44 2hdm h THR 54 Cb 1.19 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2hdm h THR 54 CO 0.86 0.11 -0.53 4.11 0.37 0.00 0.00 175.52 180.44 2hdm h TRP 55 N 0.62 0.42 -0.10 3.16 5.08 -1.94 -0.01 115.95 123.18 2hdm h TRP 55 Ca 0.21 -0.15 -0.01 0.00 1.08 0.00 0.00 58.89 60.02 2hdm h TRP 55 Cb 0.07 -0.08 -0.00 0.00 -3.00 0.00 0.00 29.16 26.14 2hdm h TRP 55 CO -0.00 0.80 0.01 0.28 -1.28 0.00 0.00 178.44 178.25 2hdm h VAL 56 N 0.26 1.24 -0.89 0.12 2.07 -1.52 0.14 116.25 117.67 2hdm h VAL 56 Ca 0.01 -0.75 0.08 0.00 0.82 0.00 0.00 66.70 66.85 2hdm h VAL 56 Cb 1.03 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 2hdm h VAL 56 CO 0.09 0.21 0.58 0.03 0.02 0.00 0.00 177.57 178.50 2hdm h ARG 57 N -0.09 0.94 -0.17 1.57 3.08 -0.89 0.70 114.38 119.52 2hdm h ARG 57 Ca 0.03 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 2hdm h ARG 57 Cb 0.32 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2hdm h ARG 57 CO 0.00 0.62 -0.16 0.22 -1.07 0.00 0.00 179.97 179.59 2hdm h ASP 58 N 0.97 0.43 0.30 7.04 3.58 -0.69 -3.04 116.42 125.01 2hdm h ASP 58 Ca 0.39 -0.48 -0.27 0.00 0.42 0.00 0.00 57.03 57.10 2hdm h ASP 58 Cb 0.27 -0.12 0.02 0.00 1.72 0.00 0.00 39.33 41.22 2hdm h ASP 58 CO -0.16 0.82 -1.16 0.00 -2.88 0.00 0.00 179.24 175.86 2hdm h VAL 60 N 0.22 0.56 0.04 0.00 3.04 0.26 0.84 116.25 121.21 2hdm h VAL 60 Ca -0.15 -0.38 -0.37 0.00 -1.01 0.00 0.00 66.70 64.80 2hdm h VAL 60 Cb 1.84 1.25 -0.05 0.00 -2.01 0.00 0.00 31.29 32.31 2hdm h VAL 60 CO 0.21 0.08 -2.22 0.54 -1.01 0.00 0.00 177.57 175.17 2hdm n ARG 61 N -3.71 0.69 -0.09 4.17 5.12 -1.15 -3.77 116.66 117.92 2hdm n ARG 61 Ca -0.02 0.17 -0.07 0.00 -1.93 0.00 0.00 57.85 56.01 2hdm n ARG 61 Cb 0.19 -1.61 0.01 0.00 -1.16 0.00 0.00 32.46 29.89 2hdm n ARG 61 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2hdm h SER 62 N 0.02 0.10 0.45 0.55 0.87 0.33 0.17 113.55 116.04 2hdm h SER 62 Ca -0.49 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.01 2hdm h SER 62 Cb 2.02 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 64.00 2hdm h SER 62 CO 0.01 0.09 -0.47 0.24 -0.53 0.00 0.00 176.83 176.17 2hdm h MET 63 N 0.24 0.03 -0.07 2.24 2.86 -1.06 -0.51 114.93 118.65 2hdm h MET 63 Ca 0.15 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 2hdm h MET 63 Cb 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 2hdm h MET 63 CO -0.16 0.49 -0.07 0.22 1.06 0.00 0.00 176.91 178.44 2hdm h ASP 64 N 0.02 0.19 0.32 1.22 3.58 -1.49 -3.29 116.42 116.98 2hdm h ASP 64 Ca -0.00 -0.49 -0.10 0.00 0.42 0.00 0.00 57.03 56.86 2hdm h ASP 64 Cb 0.84 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2hdm h ASP 64 CO 0.06 0.64 -0.42 0.03 -2.88 0.00 0.00 179.24 176.68 2hdm h ARG 65 N -0.25 0.13 0.00 0.28 3.08 -0.42 -3.01 114.38 114.19 2hdm h ARG 65 Ca 0.01 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2hdm h ARG 65 Cb 0.58 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 2hdm h ARG 65 CO 0.02 0.53 -0.02 1.57 -1.07 0.00 0.00 179.97 181.00 2hdm h LYS 66 N 0.11 0.00 0.00 0.04 2.10 -1.16 0.79 116.57 118.45 2hdm h LYS 66 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2hdm h LYS 66 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 2hdm h LYS 66 CO 0.06 0.02 -0.34 0.45 -2.00 0.00 0.00 179.45 177.64 2hdm n SER 67 N -3.28 0.63 -4.52 7.07 2.88 -1.14 -4.67 113.62 110.59 2hdm n SER 67 Ca -0.02 0.26 -0.43 0.00 -1.33 0.00 0.00 58.87 57.35 2hdm n SER 67 Cb 0.15 -0.21 -0.04 0.00 -0.75 0.00 0.00 64.21 63.37 2hdm n SER 67 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2hdm s ASN 68 N -4.01 6.33 0.05 -3.46 0.02 0.27 -4.30 114.94 109.83 2hdm s ASN 68 Ca 0.09 -0.40 -0.01 0.00 -1.02 0.00 0.00 52.86 51.52 2hdm s ASN 68 Cb 0.14 -2.44 0.00 0.00 0.02 0.00 0.00 41.25 38.98 2hdm s ASN 68 CO 0.66 -1.25 0.07 1.07 0.02 0.00 0.00 177.10 177.67 2hdm n THR 69 N 6.17 0.00 -2.71 1.60 5.66 -1.26 -5.01 114.28 118.73 2hdm n THR 69 Ca 0.01 -0.21 -0.42 0.00 -3.05 0.00 0.00 64.05 60.38 2hdm n THR 69 Cb 0.47 0.14 -0.03 0.00 -1.55 0.00 0.00 70.33 69.37 2hdm n THR 69 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2hdm s ARG 70 N -2.09 3.61 -0.47 1.09 1.81 -1.26 -4.41 118.95 117.24 2hdm s ARG 70 Ca 0.03 -1.42 -0.16 0.00 -1.72 0.00 0.00 55.73 52.47 2hdm s ARG 70 Cb -0.00 -5.19 0.02 0.00 -0.45 0.00 0.00 34.95 29.33 2hdm s ARG 70 CO 0.03 -2.03 0.62 -1.71 -0.68 0.00 0.00 175.30 171.52 2hdm n ASN 71 N 7.92 -7.72 0.00 0.23 2.85 -1.26 -5.05 115.26 112.23 2hdm n ASN 71 Ca 0.30 0.40 0.00 0.00 -0.11 0.00 0.00 54.58 55.17 2hdm n ASN 71 Cb 0.50 -5.06 0.00 0.00 1.24 0.00 0.00 39.78 36.46 2hdm n ASN 71 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2hdm n ASN 72 N -0.48 0.00 -4.83 1.20 5.15 -1.26 -5.18 115.26 109.86 2hdm n ASN 72 Ca 0.09 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.79 2hdm n ASN 72 Cb 0.48 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.68 2hdm n ASN 72 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2hdm s MET 73 N 0.00 3.03 -0.14 1.20 0.23 -1.26 -4.44 119.30 117.92 2hdm s MET 73 Ca 0.00 -0.73 -0.00 0.00 -1.03 0.00 0.00 55.69 53.93 2hdm s MET 73 Cb 0.00 -2.76 0.03 0.00 -1.53 0.00 0.00 34.83 30.57 2hdm s MET 73 CO 0.00 0.53 -0.06 0.42 -2.03 0.00 0.00 175.02 173.88 2hdm s ILE 74 N -1.61 1.07 0.00 3.16 1.01 -1.26 -5.11 121.20 118.46 2hdm s ILE 74 Ca 0.31 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.48 2hdm s ILE 74 Cb -0.11 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.17 2hdm s ILE 74 CO 0.24 0.23 0.34 0.00 0.00 0.00 0.00 174.94 175.75