#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 6.40 -0.44 1.61 0.01 -1.26 -5.03 113.70 115.00 2hdm s SER 3 Ca 0.00 0.46 -0.29 0.00 1.31 0.00 0.00 55.95 57.43 2hdm s SER 3 Cb 0.00 -2.04 0.02 0.00 0.21 0.00 0.00 66.02 64.21 2hdm s SER 3 CO 0.00 -0.07 1.33 -0.70 0.41 0.00 0.00 173.24 174.21 2hdm s GLU 4 N -3.34 3.61 -0.03 12.44 2.12 -1.26 -4.99 118.70 127.25 2hdm s GLU 4 Ca 0.39 0.80 -0.05 0.00 0.36 0.00 0.00 54.97 56.48 2hdm s GLU 4 Cb -0.11 -3.99 -0.04 0.00 0.26 0.00 0.00 34.13 30.25 2hdm s GLU 4 CO 0.29 -1.52 0.20 0.14 -0.54 0.00 0.00 175.26 173.82 2hdm s VAL 5 N 5.16 5.41 -0.94 3.70 -7.23 -1.26 -5.01 120.40 120.22 2hdm s VAL 5 Ca 0.57 0.05 -0.24 0.00 -1.81 0.00 0.00 61.98 60.55 2hdm s VAL 5 Cb -0.11 -3.51 0.04 0.00 0.56 0.00 0.00 36.38 33.35 2hdm s VAL 5 CO 0.32 0.42 1.46 -0.44 -0.31 0.00 0.00 175.10 176.55 2hdm s SER 6 N -1.62 6.30 -0.00 4.85 0.01 -1.26 -4.92 113.70 117.06 2hdm s SER 6 Ca 0.24 -1.14 -0.02 0.00 1.31 0.00 0.00 55.95 56.34 2hdm s SER 6 Cb -0.13 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.53 2hdm s SER 6 CO 0.14 -1.69 0.04 -0.62 0.41 0.00 0.00 173.24 171.52 2hdm s ASP 7 N 4.99 0.07 0.00 2.44 2.15 -1.26 -5.16 116.67 119.90 2hdm s ASP 7 Ca 0.46 -0.17 0.00 0.00 0.43 0.00 0.00 52.55 53.26 2hdm s ASP 7 Cb -0.02 0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.72 2hdm s ASP 7 CO -0.03 -0.19 0.00 0.29 -0.17 0.00 0.00 175.17 175.07 2hdm n LYS 8 N 2.22 2.68 -3.40 4.34 5.02 -1.26 -5.03 118.16 122.74 2hdm n LYS 8 Ca -0.18 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.75 2hdm n LYS 8 Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.54 2hdm n LYS 8 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2hdm n ARG 9 N -0.20 3.14 -3.83 1.97 0.63 -1.26 -4.95 116.66 112.16 2hdm n ARG 9 Ca 0.00 -4.55 -0.06 0.00 -0.92 0.00 0.00 57.85 52.31 2hdm n ARG 9 Cb 0.00 -2.40 0.01 0.00 0.45 0.00 0.00 32.46 30.52 2hdm n ARG 9 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2hdm s THR 10 N -2.07 0.00 -0.00 5.15 -1.32 -1.26 -5.04 115.64 111.10 2hdm s THR 10 Ca 0.32 -0.83 -0.02 0.00 -1.21 0.00 0.00 61.69 59.95 2hdm s THR 10 Cb 0.02 -2.62 -0.01 0.00 -1.51 0.00 0.00 72.50 68.39 2hdm s THR 10 CO -0.03 0.00 0.03 0.00 -2.21 0.00 0.00 174.62 172.41 2hdm n VAL 12 N 2.23 1.62 -4.45 0.00 0.31 -1.26 -4.98 118.33 111.80 2hdm n VAL 12 Ca -0.18 -0.45 -0.24 0.00 -0.01 0.00 0.00 64.34 63.45 2hdm n VAL 12 Cb 0.57 -1.75 -0.10 0.00 -0.91 0.00 0.00 33.84 31.65 2hdm n VAL 12 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2hdm s SER 13 N -6.95 3.64 0.15 4.52 0.01 -1.26 -5.14 113.70 108.66 2hdm s SER 13 Ca -0.30 -0.97 0.11 0.00 1.31 0.00 0.00 55.95 56.10 2hdm s SER 13 Cb 0.08 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 2hdm s SER 13 CO 0.64 0.05 -0.26 -0.76 0.41 0.00 0.00 173.24 173.33 2hdm s LEU 14 N -3.37 2.38 0.55 2.44 1.43 -1.26 -4.80 118.68 116.04 2hdm s LEU 14 Ca 0.28 -0.77 -0.06 0.00 -1.03 0.00 0.00 54.13 52.55 2hdm s LEU 14 Cb -0.06 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 2hdm s LEU 14 CO 0.14 0.16 0.88 0.28 0.23 0.00 0.00 176.35 178.05 2hdm s THR 15 N -1.24 4.29 0.00 5.49 -1.32 0.27 -4.95 115.64 118.19 2hdm s THR 15 Ca 0.16 0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.85 2hdm s THR 15 Cb -0.09 -3.67 0.00 0.00 -1.51 0.00 0.00 72.50 67.22 2hdm s THR 15 CO 0.07 -0.72 0.82 1.07 -2.21 0.00 0.00 174.62 173.65 2hdm n THR 16 N -2.49 0.65 -3.58 5.08 5.66 -1.26 -4.26 114.28 114.07 2hdm n THR 16 Ca 0.03 -0.80 -0.36 0.00 -3.05 0.00 0.00 64.05 59.87 2hdm n THR 16 Cb 0.56 0.69 -0.06 0.00 -1.55 0.00 0.00 70.33 69.98 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 -0.65 3.79 0.13 1.09 -1.52 -1.26 -5.08 119.66 116.16 2hdm s GLN 17 Ca 0.00 0.23 0.02 0.00 -1.95 0.00 0.00 55.36 53.67 2hdm s GLN 17 Cb 0.00 -3.10 -0.04 0.00 -0.22 0.00 0.00 33.01 29.65 2hdm s GLN 17 CO 0.00 0.63 0.25 1.03 -0.25 0.00 0.00 175.29 176.96 2hdm s ARG 18 N -1.51 3.38 0.09 2.91 0.52 -1.26 -5.07 118.95 118.02 2hdm s ARG 18 Ca 0.28 -0.59 0.09 0.00 -0.52 0.00 0.00 55.73 54.98 2hdm s ARG 18 Cb -0.15 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.34 2hdm s ARG 18 CO 0.15 0.54 -0.23 -0.51 0.02 0.00 0.00 175.30 175.26 2hdm s LEU 19 N -3.07 2.27 0.33 2.53 1.02 -1.26 -5.11 118.68 115.39 2hdm s LEU 19 Ca 0.34 -0.67 -0.29 0.00 0.02 0.00 0.00 54.13 53.54 2hdm s LEU 19 Cb -0.11 -1.03 -0.12 0.00 0.02 0.00 0.00 46.19 44.95 2hdm s LEU 19 CO 0.28 0.13 1.45 -2.65 0.02 0.00 0.00 176.35 175.58 2hdm n PRO 20 N 1.23 2.46 0.29 1.29 -0.02 -1.26 -4.86 135.00 134.13 2hdm n PRO 20 Ca -0.18 0.87 0.19 0.00 -2.02 0.00 0.00 63.50 62.35 2hdm n PRO 20 Cb 0.53 -2.56 0.83 0.00 -0.02 0.00 0.00 33.50 32.28 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 -3.11 0.50 -0.05 0.00 2.88 -1.26 -1.53 113.62 111.05 2hdm n SER 22 Ca -0.00 0.63 0.12 0.00 -1.33 0.00 0.00 58.87 58.28 2hdm n SER 22 Cb 0.24 -0.73 0.17 0.00 -0.75 0.00 0.00 64.21 63.15 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 -2.05 0.16 -2.37 -1.46 1.74 -0.03 -4.89 116.66 107.76 2hdm n ARG 23 Ca 0.02 -0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.59 2hdm n ARG 23 Cb 0.21 -1.50 -0.03 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 -2.91 3.63 -0.09 0.55 -1.09 -0.58 -1.61 121.20 119.09 2hdm s ILE 24 Ca 0.12 1.33 -0.05 0.00 -2.23 0.00 0.00 60.65 59.82 2hdm s ILE 24 Cb 0.17 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 2hdm s ILE 24 CO 0.71 0.19 -0.12 1.17 -1.23 0.00 0.00 174.94 175.66 2hdm n LYS 25 N 2.81 0.20 -3.78 2.79 0.00 -0.14 -4.70 118.16 115.34 2hdm n LYS 25 Ca 0.05 0.09 -0.09 0.00 0.00 0.00 0.00 58.31 58.36 2hdm n LYS 25 Cb 0.45 -0.84 -0.04 0.00 0.00 0.00 0.00 35.03 34.60 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 0.20 3.15 -1.32 -1.01 -5.02 115.64 109.49 2hdm s THR 26 Ca -0.13 -0.89 0.04 0.00 -1.21 0.00 0.00 61.69 59.49 2hdm s THR 26 Cb 0.05 -1.65 -0.05 0.00 -1.51 0.00 0.00 72.50 69.34 2hdm s THR 26 CO 0.17 -0.13 -0.03 -0.72 -2.21 0.00 0.00 174.62 171.70 2hdm s TYR 27 N -3.89 1.44 -0.08 9.09 -0.85 -1.26 -0.21 117.35 121.59 2hdm s TYR 27 Ca 0.11 -0.89 -0.03 0.00 -0.52 0.00 0.00 57.07 55.74 2hdm s TYR 27 Cb -0.01 -0.81 0.04 0.00 0.38 0.00 0.00 41.96 41.56 2hdm s TYR 27 CO -0.02 -0.03 0.06 0.99 -1.52 0.00 0.00 175.55 175.03 2hdm s THR 28 N -3.43 -0.04 -0.21 -3.49 2.01 0.15 -4.94 115.64 105.68 2hdm s THR 28 Ca 0.25 0.24 -0.15 0.00 0.31 0.00 0.00 61.69 62.34 2hdm s THR 28 Cb 0.05 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 2hdm s THR 28 CO 0.06 0.07 0.38 -0.63 -0.69 0.00 0.00 174.62 173.81 2hdm s ILE 29 N 2.14 5.21 -0.18 1.82 1.01 -1.26 0.02 121.20 129.95 2hdm s ILE 29 Ca 0.04 0.64 -0.03 0.00 0.00 0.00 0.00 60.65 61.30 2hdm s ILE 29 Cb -0.13 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 2hdm s ILE 29 CO -0.05 0.24 -0.05 0.42 0.00 0.00 0.00 174.94 175.51 2hdm s THR 30 N 1.40 3.56 -0.03 2.92 -4.23 -0.14 -4.97 115.64 114.16 2hdm s THR 30 Ca 0.17 -0.45 0.04 0.00 -1.18 0.00 0.00 61.69 60.27 2hdm s THR 30 Cb -0.15 -2.58 -0.00 0.00 1.34 0.00 0.00 72.50 71.10 2hdm s THR 30 CO 0.08 0.46 -0.15 -1.83 -0.54 0.00 0.00 174.62 172.64 2hdm s GLU 31 N 0.91 1.47 0.00 3.99 -1.05 -1.26 -0.74 118.70 122.02 2hdm s GLU 31 Ca -0.01 -0.53 0.00 0.00 -0.15 0.00 0.00 54.97 54.28 2hdm s GLU 31 Cb -0.15 -1.33 0.00 0.00 -0.44 0.00 0.00 34.13 32.21 2hdm s GLU 31 CO 0.01 0.24 0.00 0.41 0.95 0.00 0.00 175.26 176.87 2hdm n GLY 32 N 3.06 1.10 4.66 -3.83 0.00 -1.26 -4.91 105.19 104.01 2hdm n GLY 32 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -3.83 1.61 7.64 -1.26 -4.69 113.62 113.09 2hdm n SER 33 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 2hdm n SER 33 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 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 0.00 2.39 -0.27 -3.43 1.98 -1.26 -5.10 118.68 112.99 2hdm s LEU 34 Ca 0.00 -1.37 -0.16 0.00 -2.89 0.00 0.00 54.13 49.71 2hdm s LEU 34 Cb 0.00 -0.99 -0.03 0.00 0.66 0.00 0.00 46.19 45.83 2hdm s LEU 34 CO 0.00 -0.33 0.43 -0.60 -1.89 0.00 0.00 176.35 173.95 2hdm s ARG 35 N 1.52 4.03 0.07 1.98 3.52 -1.24 -4.17 118.95 124.66 2hdm s ARG 35 Ca 0.03 0.14 -0.06 0.00 -0.13 0.00 0.00 55.73 55.71 2hdm s ARG 35 Cb -0.18 -3.66 -0.02 0.00 -1.56 0.00 0.00 34.95 29.54 2hdm s ARG 35 CO -0.14 -0.31 0.10 0.00 -0.81 0.00 0.00 175.30 174.15 2hdm s ALA 36 N 2.16 0.06 -0.27 6.12 0.00 0.08 -4.65 121.76 125.27 2hdm s ALA 36 Ca 0.17 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 2hdm s ALA 36 Cb -0.16 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.38 2hdm s ALA 36 CO 0.10 -0.45 -0.02 0.08 0.00 0.00 0.00 175.76 175.47 2hdm s VAL 37 N -3.83 3.12 -0.24 0.00 1.01 -0.23 -0.96 120.40 119.27 2hdm s VAL 37 Ca 0.05 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 2hdm s VAL 37 Cb 0.06 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2hdm s VAL 37 CO -0.10 0.13 0.47 -0.63 0.00 0.00 0.00 175.10 174.96 2hdm s ILE 38 N 1.35 5.12 -0.21 2.22 1.01 0.10 -0.41 121.20 130.38 2hdm s ILE 38 Ca -0.00 0.80 -0.09 0.00 0.00 0.00 0.00 60.65 61.36 2hdm s ILE 38 Cb -0.17 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2hdm s ILE 38 CO -0.02 0.14 0.11 -0.36 0.00 0.00 0.00 174.94 174.81 2hdm s PHE 39 N 1.98 3.27 -0.23 3.97 0.08 0.12 0.30 117.98 127.46 2hdm s PHE 39 Ca 0.20 0.09 -0.10 0.00 0.12 0.00 0.00 56.93 57.24 2hdm s PHE 39 Cb -0.15 -2.18 -0.05 0.00 -0.57 0.00 0.00 43.02 40.07 2hdm s PHE 39 CO 0.09 0.07 0.13 0.42 -0.10 0.00 0.00 175.22 175.83 2hdm s ILE 40 N 0.79 5.16 0.66 0.64 -1.09 0.71 0.29 121.20 128.37 2hdm s ILE 40 Ca 0.06 0.11 -0.11 0.00 -2.23 0.00 0.00 60.65 58.47 2hdm s ILE 40 Cb -0.13 -3.39 -0.01 0.00 -1.58 0.00 0.00 42.46 37.35 2hdm s ILE 40 CO 0.02 0.37 1.06 0.42 -1.23 0.00 0.00 174.94 175.58 2hdm s THR 41 N 0.98 4.12 -0.46 2.92 -4.23 -0.19 -0.97 115.64 117.82 2hdm s THR 41 Ca 0.07 0.69 0.21 0.00 -1.18 0.00 0.00 61.69 61.47 2hdm s THR 41 Cb -0.13 -3.66 0.21 0.00 1.34 0.00 0.00 72.50 70.26 2hdm s THR 41 CO 0.04 -0.90 1.64 0.29 -0.54 0.00 0.00 174.62 175.14 2hdm n LYS 42 N -2.89 0.15 0.09 3.99 5.02 -0.64 -0.60 118.16 123.29 2hdm n LYS 42 Ca 0.06 0.48 0.13 0.00 -2.02 0.00 0.00 58.31 56.97 2hdm n LYS 42 Cb 0.55 -1.85 0.44 0.00 -0.02 0.00 0.00 35.03 34.16 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 -2.15 0.21 -0.27 1.97 0.63 -1.26 -4.91 116.66 110.88 2hdm n ARG 43 Ca 0.01 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 2hdm n ARG 43 Cb 0.15 -1.77 0.00 0.00 0.45 0.00 0.00 32.46 31.29 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 1.10 0.77 3.93 5.14 0.00 0.23 -5.06 105.19 111.30 2hdm n GLY 44 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.23 0.99 1.43 -1.25 -4.86 118.68 119.09 2hdm s LEU 45 Ca 0.00 0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 53.22 2hdm s LEU 45 Cb 0.00 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 2hdm s LEU 45 CO 0.00 0.10 0.46 -0.54 0.23 0.00 0.00 176.35 176.61 2hdm s LYS 46 N -2.81 4.12 0.07 1.70 1.02 -1.26 -1.03 119.74 121.54 2hdm s LYS 46 Ca 0.36 0.27 0.07 0.00 0.02 0.00 0.00 55.97 56.68 2hdm s LYS 46 Cb -0.12 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 2hdm s LYS 46 CO 0.28 -0.20 -0.13 0.08 -0.92 0.00 0.00 175.35 174.45 2hdm s VAL 47 N 1.83 3.16 -0.13 3.17 1.01 0.15 -4.98 120.40 124.62 2hdm s VAL 47 Ca 0.20 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2hdm s VAL 47 Cb -0.15 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.83 2hdm s VAL 47 CO 0.09 0.24 -0.19 0.00 0.00 0.00 0.00 175.10 175.23 2hdm s ALA 49 N 0.86 0.85 0.03 0.00 0.00 0.46 -0.56 121.76 123.39 2hdm s ALA 49 Ca -0.07 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 2hdm s ALA 49 Cb -0.15 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2hdm s ALA 49 CO -0.01 0.00 1.11 0.34 0.00 0.00 0.00 175.76 177.20 2hdm s ASP 50 N -1.90 7.19 0.59 0.00 2.15 -1.26 -1.06 116.67 122.37 2hdm s ASP 50 Ca -0.03 1.86 0.33 0.00 0.43 0.00 0.00 52.55 55.14 2hdm s ASP 50 Cb -0.07 -2.57 1.85 0.00 -0.30 0.00 0.00 42.92 41.83 2hdm s ASP 50 CO 0.00 -0.40 2.22 1.55 -0.17 0.00 0.00 175.17 178.38 2hdm h PRO 51 N 6.85 0.00 -0.01 4.34 0.13 -1.91 -1.12 132.00 140.29 2hdm h PRO 51 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2hdm h PRO 51 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2hdm h PRO 51 CO 0.79 0.03 -0.07 1.04 -0.23 0.00 0.00 178.00 179.56 2hdm n GLN 52 N -3.55 1.29 -2.38 0.86 3.00 -1.26 -4.32 117.38 111.01 2hdm n GLN 52 Ca -0.02 -0.67 -0.42 0.00 -0.01 0.00 0.00 57.00 55.87 2hdm n GLN 52 Cb 0.14 -1.49 -0.03 0.00 0.00 0.00 0.00 30.24 28.86 2hdm n GLN 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2hdm s ALA 53 N -2.18 3.48 0.41 -1.58 0.00 -0.42 -4.90 121.76 116.57 2hdm s ALA 53 Ca 0.35 0.78 0.14 0.00 0.00 0.00 0.00 51.96 53.22 2hdm s ALA 53 Cb 0.21 -3.51 1.00 0.00 0.00 0.00 0.00 23.12 20.82 2hdm s ALA 53 CO 0.40 -0.68 1.92 1.15 0.00 0.00 0.00 175.76 178.55 2hdm h THR 54 N 4.79 0.81 -0.01 0.00 2.02 -1.88 0.86 112.91 119.51 2hdm h THR 54 Ca -0.38 -0.16 -0.16 0.00 0.77 0.00 0.00 66.41 66.48 2hdm h THR 54 Cb 1.18 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 2hdm h THR 54 CO 0.86 0.09 -0.72 4.11 0.37 0.00 0.00 175.52 180.23 2hdm h TRP 55 N 0.47 0.12 -0.10 3.16 5.08 -1.94 -2.21 115.95 120.53 2hdm h TRP 55 Ca 0.38 -0.05 -0.05 0.00 1.08 0.00 0.00 58.89 60.24 2hdm h TRP 55 Cb 0.79 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 26.93 2hdm h TRP 55 CO -0.00 0.77 -0.14 0.28 -1.28 0.00 0.00 178.44 178.07 2hdm h VAL 56 N 0.05 1.38 -0.94 0.12 2.07 -1.30 -2.27 116.25 115.37 2hdm h VAL 56 Ca -0.01 -1.36 0.11 0.00 0.82 0.00 0.00 66.70 66.25 2hdm h VAL 56 Cb 1.27 2.05 -0.07 0.00 -1.52 0.00 0.00 31.29 33.02 2hdm h VAL 56 CO 0.10 0.39 0.60 0.03 0.02 0.00 0.00 177.57 178.71 2hdm h ARG 57 N -0.16 0.90 -0.17 1.57 3.08 -0.76 0.65 114.38 119.48 2hdm h ARG 57 Ca 0.01 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 2hdm h ARG 57 Cb 0.69 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 2hdm h ARG 57 CO 0.03 0.59 -0.10 0.22 -1.07 0.00 0.00 179.97 179.65 2hdm h ASP 58 N 0.92 0.38 0.41 7.04 3.58 -1.33 -3.03 116.42 124.39 2hdm h ASP 58 Ca 0.45 -0.43 -0.31 0.00 0.42 0.00 0.00 57.03 57.16 2hdm h ASP 58 Cb 0.45 -0.10 0.02 0.00 1.72 0.00 0.00 39.33 41.42 2hdm h ASP 58 CO -0.21 0.72 -1.36 0.00 -2.88 0.00 0.00 179.24 175.52 2hdm h VAL 60 N 0.13 0.79 0.07 0.00 3.04 0.14 0.82 116.25 121.23 2hdm h VAL 60 Ca -0.20 -0.68 -0.32 0.00 -1.01 0.00 0.00 66.70 64.50 2hdm h VAL 60 Cb 2.06 1.41 -0.03 0.00 -2.01 0.00 0.00 31.29 32.72 2hdm h VAL 60 CO 0.24 0.17 -1.74 0.03 -1.01 0.00 0.00 177.57 175.26 2hdm h ARG 61 N 0.00 0.15 -0.67 4.17 2.47 -1.47 -1.71 114.38 117.32 2hdm h ARG 61 Ca -0.00 -0.25 -0.01 0.00 -1.26 0.00 0.00 59.98 58.46 2hdm h ARG 61 Cb 0.39 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.77 2hdm h ARG 61 CO 0.02 0.89 0.37 0.77 0.56 0.00 0.00 179.97 182.58 2hdm h SER 62 N 0.04 0.83 0.78 7.04 0.02 -0.52 -1.95 113.55 119.79 2hdm h SER 62 Ca -0.31 -0.09 -0.18 0.00 -0.84 0.00 0.00 61.79 60.36 2hdm h SER 62 Cb 2.01 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 64.32 2hdm h SER 62 CO 0.10 0.69 -0.84 0.24 -1.14 0.00 0.00 176.83 175.88 2hdm h MET 63 N 0.91 0.04 -0.73 3.45 2.86 -0.97 -3.27 114.93 117.22 2hdm h MET 63 Ca 0.23 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.91 2hdm h MET 63 Cb 0.04 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.65 2hdm h MET 63 CO -0.04 0.85 0.40 0.22 1.06 0.00 0.00 176.91 179.40 2hdm h ASP 64 N 0.02 0.56 -0.46 1.22 3.58 -0.90 0.30 116.42 120.75 2hdm h ASP 64 Ca -0.02 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.49 2hdm h ASP 64 Cb 1.47 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.44 2hdm h ASP 64 CO 0.11 0.34 0.30 0.03 -2.88 0.00 0.00 179.24 177.15 2hdm h ARG 65 N 0.70 0.56 0.19 0.28 3.08 -1.41 -2.47 114.38 115.31 2hdm h ARG 65 Ca 0.34 -0.03 -0.32 0.00 0.07 0.00 0.00 59.98 60.04 2hdm h ARG 65 Cb 0.29 -0.13 0.03 0.00 0.08 0.00 0.00 29.97 30.25 2hdm h ARG 65 CO -0.23 0.37 -1.36 0.87 -1.07 0.00 0.00 179.97 178.55 2hdm h LYS 66 N 0.58 0.59 -6.21 0.04 1.57 -1.35 -3.43 116.57 108.37 2hdm h LYS 66 Ca 0.17 -0.89 -0.56 0.00 -1.87 0.00 0.00 60.65 57.51 2hdm h LYS 66 Cb -0.01 0.31 -0.09 0.00 0.08 0.00 0.00 32.23 32.52 2hdm h LYS 66 CO -0.04 1.42 0.94 -1.12 -0.57 0.00 0.00 179.45 180.08 2hdm s SER 67 N -7.51 6.21 -1.36 0.86 0.01 -0.02 -4.91 113.70 106.97 2hdm s SER 67 Ca -0.09 -0.46 -0.12 0.00 1.31 0.00 0.00 55.95 56.58 2hdm s SER 67 Cb 0.05 -2.53 0.11 0.00 0.21 0.00 0.00 66.02 63.85 2hdm s SER 67 CO 0.94 -1.70 2.01 -3.20 0.41 0.00 0.00 173.24 171.70 2hdm n ASN 68 N 8.89 4.54 -2.89 2.44 2.85 -1.26 -4.44 115.26 125.38 2hdm n ASN 68 Ca 0.03 -2.97 0.03 0.00 -0.11 0.00 0.00 54.58 51.55 2hdm n ASN 68 Cb 0.48 -1.58 0.00 0.00 1.24 0.00 0.00 39.78 39.93 2hdm n ASN 68 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2hdm s THR 69 N 1.89 -0.19 -0.29 -0.44 -1.32 -1.26 -5.15 115.64 108.89 2hdm s THR 69 Ca 0.44 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.94 2hdm s THR 69 Cb 0.11 -0.07 0.17 0.00 -1.51 0.00 0.00 72.50 71.20 2hdm s THR 69 CO -0.03 0.00 0.45 0.00 -2.21 0.00 0.00 174.62 172.83 2hdm s ARG 70 N 2.32 0.45 -0.76 7.08 1.70 -1.26 -5.09 118.95 123.39 2hdm s ARG 70 Ca 0.20 0.29 -0.16 0.00 -0.47 0.00 0.00 55.73 55.59 2hdm s ARG 70 Cb 0.02 -0.17 0.16 0.00 -0.57 0.00 0.00 34.95 34.39 2hdm s ARG 70 CO -0.18 -0.98 0.80 1.21 -1.08 0.00 0.00 175.30 175.07 2hdm s ASN 71 N 2.62 6.53 -0.59 -2.89 3.04 -1.26 -4.97 114.94 117.42 2hdm s ASN 71 Ca 0.11 -2.16 -0.09 0.00 0.04 0.00 0.00 52.86 50.76 2hdm s ASN 71 Cb -0.12 -2.27 0.15 0.00 -1.54 0.00 0.00 41.25 37.47 2hdm s ASN 71 CO -0.28 -0.84 0.46 0.20 -3.04 0.00 0.00 177.10 173.61 2hdm s ASN 72 N 2.98 5.82 -0.86 -4.21 -0.87 -1.26 -5.00 114.94 111.54 2hdm s ASN 72 Ca 0.18 -2.32 -0.20 0.00 -1.57 0.00 0.00 52.86 48.94 2hdm s ASN 72 Cb -0.15 -2.02 0.11 0.00 -0.02 0.00 0.00 41.25 39.17 2hdm s ASN 72 CO -0.04 -0.59 1.11 -0.32 -2.57 0.00 0.00 177.10 174.69 2hdm s MET 73 N 0.74 3.45 -0.38 -0.60 1.75 -1.26 -4.96 119.30 118.04 2hdm s MET 73 Ca 0.11 -1.43 -0.16 0.00 -1.25 0.00 0.00 55.69 52.96 2hdm s MET 73 Cb -0.21 -4.76 0.00 0.00 2.84 0.00 0.00 34.83 32.70 2hdm s MET 73 CO -0.03 -1.83 0.40 0.42 -0.65 0.00 0.00 175.02 173.33 2hdm s ILE 74 N 3.31 5.13 0.00 10.11 1.01 -1.26 -5.36 121.20 134.14 2hdm s ILE 74 Ca 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.85 2hdm s ILE 74 Cb -0.08 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2hdm s ILE 74 CO -0.04 -0.24 0.00 1.67 0.00 0.00 0.00 174.94 176.33