#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 -0.58 -0.10 1.61 0.15 -1.26 -5.01 113.70 108.50 2hdm s SER 3 Ca 0.00 1.10 -0.11 0.00 0.70 0.00 0.00 55.95 57.64 2hdm s SER 3 Cb 0.00 1.11 -0.05 0.00 -1.71 0.00 0.00 66.02 65.37 2hdm s SER 3 CO 0.00 -0.21 0.25 -0.70 1.20 0.00 0.00 173.24 173.78 2hdm s GLU 4 N 0.22 3.83 -0.10 5.44 -6.30 -1.23 -4.99 118.70 115.57 2hdm s GLU 4 Ca 0.01 0.08 0.17 0.00 -2.50 0.00 0.00 54.97 52.73 2hdm s GLU 4 Cb -0.05 -3.27 -0.25 0.00 0.00 0.00 0.00 34.13 30.56 2hdm s GLU 4 CO -0.02 0.59 0.22 0.28 0.02 0.00 0.00 175.26 176.34 2hdm n VAL 5 N 2.44 0.64 -2.57 3.70 0.31 -1.26 -4.05 118.33 117.53 2hdm n VAL 5 Ca -0.16 -0.59 -0.42 0.00 -0.01 0.00 0.00 64.34 63.17 2hdm n VAL 5 Cb 0.53 -0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 33.18 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 -4.65 6.63 0.00 4.52 1.04 -1.26 -4.77 113.70 115.21 2hdm s SER 6 Ca -0.08 -1.86 0.00 0.00 0.48 0.00 0.00 55.95 54.49 2hdm s SER 6 Cb 0.08 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2hdm s SER 6 CO 0.73 -1.38 0.00 -0.67 0.98 0.00 0.00 173.24 172.90 2hdm n ASP 7 N 8.72 0.00 -4.88 7.02 2.03 -1.26 -4.77 116.55 123.42 2hdm n ASP 7 Ca 0.40 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.49 2hdm n ASP 7 Cb 0.49 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.86 2hdm n ASP 7 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2hdm s LYS 8 N 0.00 2.44 -0.93 -0.67 -2.85 -1.26 -4.56 119.74 111.91 2hdm s LYS 8 Ca 0.00 -1.66 0.00 0.00 -1.00 0.00 0.00 55.97 53.31 2hdm s LYS 8 Cb 0.00 -2.30 0.00 0.00 -2.06 0.00 0.00 37.83 33.47 2hdm s LYS 8 CO 0.00 -0.29 0.00 2.89 0.10 0.00 0.00 175.35 178.05 2hdm n ARG 9 N -1.59 -2.08 0.26 1.78 1.85 -1.26 -4.80 116.66 110.81 2hdm n ARG 9 Ca 0.03 0.53 0.10 0.00 -1.00 0.00 0.00 57.85 57.51 2hdm n ARG 9 Cb 0.62 -5.02 0.70 0.00 -1.05 0.00 0.00 32.46 27.72 2hdm n ARG 9 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 2hdm h THR 10 N 0.00 0.79 -2.14 8.89 2.02 -1.80 -3.39 112.91 117.28 2hdm h THR 10 Ca -0.24 -0.32 -0.56 0.00 0.77 0.00 0.00 66.41 66.06 2hdm h THR 10 Cb 1.06 1.19 -0.10 0.00 -1.74 0.00 0.00 68.15 68.56 2hdm h THR 10 CO 0.29 0.08 -0.64 0.00 0.37 0.00 0.00 175.52 175.63 2hdm n VAL 12 N -0.91 0.93 -4.18 0.00 0.24 -1.26 -5.01 118.33 108.14 2hdm n VAL 12 Ca -0.06 -0.97 -0.11 0.00 -2.04 0.00 0.00 64.34 61.16 2hdm n VAL 12 Cb 0.60 0.49 -0.10 0.00 -1.47 0.00 0.00 33.84 33.35 2hdm n VAL 12 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2hdm s SER 13 N -1.08 0.99 0.12 -1.34 0.01 -1.26 -5.17 113.70 105.98 2hdm s SER 13 Ca 0.04 -1.09 0.09 0.00 1.31 0.00 0.00 55.95 56.30 2hdm s SER 13 Cb 0.04 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.37 2hdm s SER 13 CO 0.00 -0.55 -0.22 -0.76 0.41 0.00 0.00 173.24 172.12 2hdm s LEU 14 N -3.08 2.33 0.65 2.44 1.43 -1.26 -4.73 118.68 116.46 2hdm s LEU 14 Ca 0.17 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.49 2hdm s LEU 14 Cb 0.06 -0.97 0.05 0.00 0.03 0.00 0.00 46.19 45.36 2hdm s LEU 14 CO -0.01 0.08 0.94 0.28 0.23 0.00 0.00 176.35 177.86 2hdm s THR 15 N -1.27 2.58 0.00 5.49 -1.32 0.13 -4.98 115.64 116.27 2hdm s THR 15 Ca 0.10 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 2hdm s THR 15 Cb -0.09 -3.07 0.00 0.00 -1.51 0.00 0.00 72.50 67.83 2hdm s THR 15 CO 0.05 -0.07 0.67 0.35 -2.21 0.00 0.00 174.62 173.42 2hdm n THR 16 N -2.72 0.38 -3.12 5.08 -2.24 -1.26 -4.66 114.28 105.74 2hdm n THR 16 Ca 0.07 -0.66 -0.39 0.00 -2.27 0.00 0.00 64.05 60.80 2hdm n THR 16 Cb 0.60 0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 69.63 2hdm n THR 16 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2hdm s GLN 17 N -0.38 4.40 -0.32 -0.78 -0.21 -1.26 -5.03 119.66 116.08 2hdm s GLN 17 Ca 0.00 0.80 -0.15 0.00 0.02 0.00 0.00 55.36 56.03 2hdm s GLN 17 Cb 0.00 -3.41 -0.02 0.00 1.00 0.00 0.00 33.01 30.58 2hdm s GLN 17 CO 0.00 0.19 0.36 1.03 -2.12 0.00 0.00 175.29 174.75 2hdm s ARG 18 N 0.39 3.73 -0.23 2.91 0.52 -1.26 -5.04 118.95 119.97 2hdm s ARG 18 Ca 0.34 -0.26 -0.09 0.00 -0.52 0.00 0.00 55.73 55.20 2hdm s ARG 18 Cb -0.18 -3.75 -0.04 0.00 0.52 0.00 0.00 34.95 31.50 2hdm s ARG 18 CO 0.17 -0.43 0.12 -0.51 0.02 0.00 0.00 175.30 174.67 2hdm s LEU 19 N 2.04 3.88 0.78 2.53 1.02 -1.26 -5.09 118.68 122.59 2hdm s LEU 19 Ca 0.13 0.03 -0.11 0.00 0.02 0.00 0.00 54.13 54.20 2hdm s LEU 19 Cb -0.16 -2.03 0.06 0.00 0.02 0.00 0.00 46.19 44.08 2hdm s LEU 19 CO 0.11 0.07 1.09 -2.16 0.02 0.00 0.00 176.35 175.48 2hdm s PRO 20 N 1.03 2.18 0.29 1.29 0.04 -1.26 -4.83 135.00 133.73 2hdm s PRO 20 Ca 0.06 1.03 0.22 0.00 0.04 0.00 0.00 61.00 62.34 2hdm s PRO 20 Cb -0.14 -1.90 1.08 0.00 0.04 0.00 0.00 34.50 33.59 2hdm s PRO 20 CO 0.04 -1.66 1.67 0.00 0.04 0.00 0.00 177.00 177.08 2hdm h SER 22 N 0.00 0.21 0.16 0.00 4.64 -2.03 -2.94 113.55 113.59 2hdm h SER 22 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2hdm h SER 22 Cb 0.13 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2hdm h SER 22 CO 0.00 0.49 -1.31 0.54 -0.87 0.00 0.00 176.83 175.68 2hdm n ARG 23 N -4.15 0.30 -2.59 4.77 1.74 0.11 -4.87 116.66 111.97 2hdm n ARG 23 Ca -0.01 -0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.59 2hdm n ARG 23 Cb 0.37 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 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 -3.23 4.55 -0.26 0.55 -1.09 -0.92 -2.98 121.20 117.82 2hdm s ILE 24 Ca 0.02 1.84 -0.09 0.00 -2.23 0.00 0.00 60.65 60.19 2hdm s ILE 24 Cb 0.15 -4.18 -0.13 0.00 -1.58 0.00 0.00 42.46 36.72 2hdm s ILE 24 CO 0.86 0.04 -0.31 1.17 -1.23 0.00 0.00 174.94 175.47 2hdm n LYS 25 N 4.75 0.59 -3.65 2.79 0.00 0.44 -4.85 118.16 118.22 2hdm n LYS 25 Ca 0.09 0.22 -0.07 0.00 0.00 0.00 0.00 58.31 58.55 2hdm n LYS 25 Cb 0.48 -1.47 -0.02 0.00 0.00 0.00 0.00 35.03 34.02 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 -2.50 0.00 0.19 3.15 -1.32 -1.15 -5.00 115.64 109.01 2hdm s THR 26 Ca -0.37 -0.45 0.05 0.00 -1.21 0.00 0.00 61.69 59.71 2hdm s THR 26 Cb 0.13 -1.55 -0.05 0.00 -1.51 0.00 0.00 72.50 69.52 2hdm s THR 26 CO 0.50 0.00 -0.07 -0.72 -2.21 0.00 0.00 174.62 172.13 2hdm s TYR 27 N -3.49 1.44 -0.07 9.09 -0.85 -1.26 -0.08 117.35 122.13 2hdm s TYR 27 Ca 0.08 -0.80 -0.03 0.00 -0.52 0.00 0.00 57.07 55.80 2hdm s TYR 27 Cb -0.02 -0.77 0.04 0.00 0.38 0.00 0.00 41.96 41.59 2hdm s TYR 27 CO -0.02 0.07 0.07 0.99 -1.52 0.00 0.00 175.55 175.14 2hdm s THR 28 N -3.32 -0.11 -0.15 -3.49 2.01 0.85 -4.94 115.64 106.50 2hdm s THR 28 Ca 0.22 0.29 -0.13 0.00 0.31 0.00 0.00 61.69 62.38 2hdm s THR 28 Cb 0.03 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 2hdm s THR 28 CO 0.04 0.07 0.29 -0.63 -0.69 0.00 0.00 174.62 173.70 2hdm s ILE 29 N 2.17 5.30 0.01 1.82 1.01 -1.26 0.33 121.20 130.58 2hdm s ILE 29 Ca 0.04 0.54 -0.01 0.00 0.00 0.00 0.00 60.65 61.22 2hdm s ILE 29 Cb -0.13 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 2hdm s ILE 29 CO -0.04 0.41 0.14 0.42 0.00 0.00 0.00 174.94 175.87 2hdm s THR 30 N 0.30 5.11 -0.02 2.92 -4.23 0.78 -4.95 115.64 115.54 2hdm s THR 30 Ca 0.17 -0.34 -0.01 0.00 -1.18 0.00 0.00 61.69 60.33 2hdm s THR 30 Cb -0.13 -3.40 0.02 0.00 1.34 0.00 0.00 72.50 70.34 2hdm s THR 30 CO 0.04 0.28 0.04 -0.70 -0.54 0.00 0.00 174.62 173.75 2hdm s GLU 31 N -2.01 -0.00 0.00 3.99 -6.30 -1.26 -3.22 118.70 109.90 2hdm s GLU 31 Ca 0.27 0.16 0.00 0.00 -2.50 0.00 0.00 54.97 52.91 2hdm s GLU 31 Cb -0.12 -0.16 0.00 0.00 0.00 0.00 0.00 34.13 33.85 2hdm s GLU 31 CO 0.19 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.76 2hdm n GLY 32 N 3.83 0.57 0.14 -1.50 0.00 -1.26 -4.86 105.19 102.11 2hdm n GLY 32 Ca -0.23 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 2hdm n GLY 32 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2hdm h SER 33 N 0.00 0.58 -3.03 1.61 0.02 -2.06 -3.45 113.55 107.22 2hdm h SER 33 Ca 0.00 -0.91 -0.21 0.00 -0.84 0.00 0.00 61.79 59.82 2hdm h SER 33 Cb 0.00 -0.19 -0.32 0.00 0.14 0.00 0.00 62.40 62.03 2hdm h SER 33 CO 0.00 1.68 -0.52 -0.22 -1.14 0.00 0.00 176.83 176.63 2hdm s LEU 34 N -7.50 -0.06 -0.48 5.07 2.96 -1.26 -5.10 118.68 112.31 2hdm s LEU 34 Ca -0.15 0.56 -0.29 0.00 -0.22 0.00 0.00 54.13 54.03 2hdm s LEU 34 Cb 0.04 0.70 0.03 0.00 0.50 0.00 0.00 46.19 47.46 2hdm s LEU 34 CO 0.84 -0.22 1.20 -0.13 -1.32 0.00 0.00 176.35 176.73 2hdm s ARG 35 N 2.03 3.67 0.01 1.98 0.52 -1.25 -4.20 118.95 121.69 2hdm s ARG 35 Ca -0.02 0.61 -0.00 0.00 -0.52 0.00 0.00 55.73 55.79 2hdm s ARG 35 Cb -0.11 -3.95 -0.01 0.00 0.52 0.00 0.00 34.95 31.40 2hdm s ARG 35 CO -0.08 -1.46 -0.01 0.00 0.02 0.00 0.00 175.30 173.77 2hdm s ALA 36 N 4.73 0.04 -0.31 2.13 0.00 -1.20 -4.61 121.76 122.55 2hdm s ALA 36 Ca 0.50 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.16 2hdm s ALA 36 Cb -0.08 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.09 2hdm s ALA 36 CO 0.31 -0.06 0.12 0.54 0.00 0.00 0.00 175.76 176.68 2hdm s VAL 37 N -0.55 4.28 -0.39 0.00 0.11 -0.55 -0.15 120.40 123.15 2hdm s VAL 37 Ca -0.06 -0.59 -0.19 0.00 -2.93 0.00 0.00 61.98 58.21 2hdm s VAL 37 Cb -0.04 -3.21 0.01 0.00 -1.53 0.00 0.00 36.38 31.61 2hdm s VAL 37 CO -0.00 0.05 0.57 -0.63 -3.33 0.00 0.00 175.10 171.75 2hdm s ILE 38 N 1.55 4.94 -0.18 7.04 1.01 0.15 -0.53 121.20 135.19 2hdm s ILE 38 Ca 0.03 0.22 -0.16 0.00 0.00 0.00 0.00 60.65 60.74 2hdm s ILE 38 Cb -0.17 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 2hdm s ILE 38 CO 0.04 -0.38 0.41 -0.36 0.00 0.00 0.00 174.94 174.65 2hdm s PHE 39 N 2.55 3.42 -0.13 3.97 0.08 0.14 -0.10 117.98 127.91 2hdm s PHE 39 Ca 0.20 0.69 -0.11 0.00 0.12 0.00 0.00 56.93 57.82 2hdm s PHE 39 Cb -0.15 -2.51 -0.05 0.00 -0.57 0.00 0.00 43.02 39.74 2hdm s PHE 39 CO 0.15 0.06 0.24 0.42 -0.10 0.00 0.00 175.22 176.00 2hdm s ILE 40 N 1.04 5.33 0.77 0.64 -1.09 0.89 0.05 121.20 128.84 2hdm s ILE 40 Ca 0.21 0.44 -0.09 0.00 -2.23 0.00 0.00 60.65 58.98 2hdm s ILE 40 Cb -0.15 -3.55 0.09 0.00 -1.58 0.00 0.00 42.46 37.27 2hdm s ILE 40 CO 0.08 0.49 1.10 0.42 -1.23 0.00 0.00 174.94 175.80 2hdm s THR 41 N -0.21 2.16 -1.07 2.92 -4.23 0.20 -0.42 115.64 114.99 2hdm s THR 41 Ca 0.16 -0.19 0.21 0.00 -1.18 0.00 0.00 61.69 60.69 2hdm s THR 41 Cb -0.13 -2.97 0.21 0.00 1.34 0.00 0.00 72.50 70.95 2hdm s THR 41 CO 0.04 0.00 1.68 0.29 -0.54 0.00 0.00 174.62 176.09 2hdm n LYS 42 N -3.13 0.05 0.00 3.99 5.02 -1.16 -1.11 118.16 121.82 2hdm n LYS 42 Ca 0.09 0.13 0.14 0.00 -2.02 0.00 0.00 58.31 56.65 2hdm n LYS 42 Cb 0.60 -1.50 0.54 0.00 -0.02 0.00 0.00 35.03 34.65 2hdm n LYS 42 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2hdm n ARG 43 N -1.46 0.56 -0.74 1.97 1.74 -1.26 -4.90 116.66 112.56 2hdm n ARG 43 Ca 0.06 -0.22 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 2hdm n ARG 43 Cb 0.23 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2hdm n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hdm n GLY 44 N 1.34 0.69 3.84 -0.13 0.00 -0.27 -5.02 105.19 105.63 2hdm n GLY 44 Ca 0.12 0.00 -0.35 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 4.28 -0.29 0.99 1.43 -1.26 -4.80 118.68 119.03 2hdm s LEU 45 Ca 0.00 1.18 -0.17 0.00 -1.03 0.00 0.00 54.13 54.11 2hdm s LEU 45 Cb 0.00 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 2hdm s LEU 45 CO 0.00 0.02 0.48 -0.54 0.23 0.00 0.00 176.35 176.54 2hdm s LYS 46 N -2.20 3.92 0.04 1.70 1.02 -1.26 -0.63 119.74 122.33 2hdm s LYS 46 Ca 0.43 0.11 0.05 0.00 0.02 0.00 0.00 55.97 56.57 2hdm s LYS 46 Cb -0.14 -3.70 -0.04 0.00 -0.52 0.00 0.00 37.83 33.43 2hdm s LYS 46 CO 0.20 -0.43 -0.08 0.08 -0.92 0.00 0.00 175.35 174.20 2hdm s VAL 47 N 2.28 3.49 -0.11 3.17 1.01 0.11 -4.98 120.40 125.37 2hdm s VAL 47 Ca 0.19 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2hdm s VAL 47 Cb -0.16 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.68 2hdm s VAL 47 CO 0.11 0.29 -0.20 0.00 0.00 0.00 0.00 175.10 175.30 2hdm s ALA 49 N 0.73 1.34 -0.09 0.00 0.00 0.32 0.21 121.76 124.27 2hdm s ALA 49 Ca -0.11 -1.22 -0.30 0.00 0.00 0.00 0.00 51.96 50.34 2hdm s ALA 49 Cb -0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 2hdm s ALA 49 CO 0.01 0.07 1.30 -0.51 0.00 0.00 0.00 175.76 176.64 2hdm s ASP 50 N -2.35 6.94 0.28 0.00 1.11 -1.26 -1.49 116.67 119.90 2hdm s ASP 50 Ca 0.06 1.85 0.21 0.00 0.18 0.00 0.00 52.55 54.85 2hdm s ASP 50 Cb -0.05 -2.55 1.05 0.00 1.07 0.00 0.00 42.92 42.44 2hdm s ASP 50 CO 0.02 -0.71 1.63 -2.65 1.18 0.00 0.00 175.17 174.64 2hdm n PRO 51 N 5.98 0.14 0.00 8.23 -0.02 -1.26 -0.95 135.00 147.12 2hdm n PRO 51 Ca 0.13 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.30 2hdm n PRO 51 Cb 0.45 -1.90 0.20 0.00 -0.02 0.00 0.00 33.50 32.23 2hdm n PRO 51 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2hdm n GLN 52 N -2.20 0.77 -2.48 -0.52 6.02 -1.26 -4.62 117.38 113.09 2hdm n GLN 52 Ca -0.00 -0.54 -0.41 0.00 -0.01 0.00 0.00 57.00 56.04 2hdm n GLN 52 Cb 0.08 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.82 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 -2.60 3.38 0.28 -1.58 0.00 -0.12 -4.93 121.76 116.19 2hdm s ALA 53 Ca 0.19 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 2hdm s ALA 53 Cb 0.18 -3.37 0.40 0.00 0.00 0.00 0.00 23.12 20.34 2hdm s ALA 53 CO 0.59 -0.26 1.83 1.15 0.00 0.00 0.00 175.76 179.07 2hdm h THR 54 N 3.76 1.22 -0.07 0.00 2.02 -1.90 0.59 112.91 118.53 2hdm h THR 54 Ca -0.44 -0.82 -0.11 0.00 0.77 0.00 0.00 66.41 65.81 2hdm h THR 54 Cb 1.21 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2hdm h THR 54 CO 0.73 0.30 -0.45 4.11 0.37 0.00 0.00 175.52 180.59 2hdm h TRP 55 N 0.79 0.20 0.15 3.16 5.08 -1.94 -1.25 115.95 122.14 2hdm h TRP 55 Ca 0.17 -0.06 -0.01 0.00 1.08 0.00 0.00 58.89 60.08 2hdm h TRP 55 Cb 0.30 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 26.42 2hdm h TRP 55 CO 0.02 0.59 -0.07 0.28 -1.28 0.00 0.00 178.44 177.98 2hdm h VAL 56 N 0.14 1.00 -0.28 0.12 2.07 -1.69 -2.58 116.25 115.04 2hdm h VAL 56 Ca 0.01 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 66.73 2hdm h VAL 56 Cb 0.85 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2hdm h VAL 56 CO 0.07 0.20 0.20 0.03 0.02 0.00 0.00 177.57 178.08 2hdm h ARG 57 N -0.63 0.08 -0.32 1.57 3.08 -0.64 0.61 114.38 118.13 2hdm h ARG 57 Ca -0.02 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 2hdm h ARG 57 Cb 0.47 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2hdm h ARG 57 CO 0.03 0.05 -0.34 0.22 -1.07 0.00 0.00 179.97 178.87 2hdm h ASP 58 N 0.08 0.75 0.07 7.04 3.58 -1.16 -3.06 116.42 123.73 2hdm h ASP 58 Ca 0.13 -0.32 -0.38 0.00 0.42 0.00 0.00 57.03 56.89 2hdm h ASP 58 Cb 0.41 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.21 2hdm h ASP 58 CO -0.01 1.03 -2.25 0.00 -2.88 0.00 0.00 179.24 175.13 2hdm h VAL 60 N 0.03 0.63 0.00 0.00 3.04 -0.07 0.30 116.25 120.17 2hdm h VAL 60 Ca -0.50 -0.22 -0.25 0.00 -1.01 0.00 0.00 66.70 64.72 2hdm h VAL 60 Cb 1.97 1.13 -0.04 0.00 -2.01 0.00 0.00 31.29 32.34 2hdm h VAL 60 CO -0.00 0.05 -1.68 0.54 -1.01 0.00 0.00 177.57 175.47 2hdm n ARG 61 N -3.88 0.63 -0.10 4.17 5.12 -1.15 -3.51 116.66 117.94 2hdm n ARG 61 Ca -0.03 0.23 -0.05 0.00 -1.93 0.00 0.00 57.85 56.07 2hdm n ARG 61 Cb 0.14 -1.77 0.14 0.00 -1.16 0.00 0.00 32.46 29.81 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 0.00 0.76 0.24 0.55 0.87 -0.61 0.29 113.55 115.65 2hdm h SER 62 Ca -0.26 -0.21 -0.13 0.00 -1.23 0.00 0.00 61.79 59.96 2hdm h SER 62 Cb 1.86 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.60 2hdm h SER 62 CO 0.06 0.88 -0.49 0.24 -0.53 0.00 0.00 176.83 176.98 2hdm h MET 63 N 0.71 0.30 -0.44 2.24 2.86 -1.15 -1.45 114.93 118.00 2hdm h MET 63 Ca 0.13 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2hdm h MET 63 Cb 0.54 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 2hdm h MET 63 CO 0.03 0.73 0.20 0.22 1.06 0.00 0.00 176.91 179.15 2hdm h ASP 64 N 0.24 0.59 -0.02 1.22 3.58 -1.50 -2.66 116.42 117.88 2hdm h ASP 64 Ca 0.01 -0.15 0.01 0.00 0.42 0.00 0.00 57.03 57.32 2hdm h ASP 64 Cb 0.96 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 2hdm h ASP 64 CO 0.08 0.57 0.02 -0.09 -2.88 0.00 0.00 179.24 176.94 2hdm h ARG 65 N 0.57 0.00 0.00 0.28 1.12 -0.44 -1.13 114.38 114.79 2hdm h ARG 65 Ca 0.15 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.02 2hdm h ARG 65 Cb 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 2hdm h ARG 65 CO -0.02 0.00 0.00 0.87 -3.11 0.00 0.00 179.97 177.71 2hdm h LYS 66 N 0.00 0.00 0.00 0.20 1.79 -0.90 -3.35 116.57 114.31 2hdm h LYS 66 Ca 0.01 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.04 2hdm h LYS 66 Cb 0.04 0.00 0.18 0.00 -1.58 0.00 0.00 32.23 30.87 2hdm h LYS 66 CO -0.00 0.00 0.43 0.45 -1.08 0.00 0.00 179.45 179.25 2hdm n SER 67 N -2.74 0.11 -0.06 0.86 2.88 -0.43 -4.91 113.62 109.33 2hdm n SER 67 Ca -0.01 -1.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.03 2hdm n SER 67 Cb 0.13 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 2hdm n SER 67 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2hdm n ASN 68 N -3.87 0.07 0.01 -3.46 0.23 -1.26 -2.76 115.26 104.23 2hdm n ASN 68 Ca 0.17 -1.19 0.14 0.00 -0.53 0.00 0.00 54.58 53.16 2hdm n ASN 68 Cb 0.59 -0.04 0.58 0.00 -2.08 0.00 0.00 39.78 38.84 2hdm n ASN 68 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2hdm n THR 69 N -0.42 0.10 -3.00 5.53 5.66 -1.26 -5.01 114.28 115.88 2hdm n THR 69 Ca 0.00 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2hdm n THR 69 Cb 0.02 -0.53 0.00 0.00 -1.55 0.00 0.00 70.33 68.27 2hdm n THR 69 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 2hdm n ARG 70 N -1.60 0.00 0.00 1.09 1.85 -1.11 -4.94 116.66 111.95 2hdm n ARG 70 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 2hdm n ARG 70 Cb 0.35 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.76 2hdm n ARG 70 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2hdm n ASN 71 N -3.40 0.00 -1.58 2.89 5.15 -1.26 -4.78 115.26 112.28 2hdm n ASN 71 Ca 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.97 2hdm n ASN 71 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2hdm n ASN 71 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2hdm n ASN 72 N -1.05 -3.80 -0.42 1.20 5.15 -1.26 -5.03 115.26 110.05 2hdm n ASN 72 Ca 0.00 0.60 0.00 0.00 -0.60 0.00 0.00 54.58 54.58 2hdm n ASN 72 Cb 0.00 -2.48 0.00 0.00 -0.53 0.00 0.00 39.78 36.77 2hdm n ASN 72 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 2hdm n MET 73 N 0.63 -0.51 -2.46 1.20 1.56 -1.26 -4.92 117.12 111.35 2hdm n MET 73 Ca -0.04 0.60 -0.43 0.00 -0.27 0.00 0.00 57.70 57.56 2hdm n MET 73 Cb 0.06 -0.40 -0.02 0.00 2.15 0.00 0.00 33.22 35.01 2hdm n MET 73 CO 0.00 0.00 0.00 0.96 -0.73 0.00 0.00 175.97 176.20 2hdm s ILE 74 N -0.55 4.24 0.00 1.12 -4.36 -1.26 -5.24 121.20 115.15 2hdm s ILE 74 Ca 0.00 1.43 0.00 0.00 -0.26 0.00 0.00 60.65 61.82 2hdm s ILE 74 Cb 0.00 -4.17 0.00 0.00 1.25 0.00 0.00 42.46 39.54 2hdm s ILE 74 CO 0.00 -0.40 0.02 0.00 0.24 0.00 0.00 174.94 174.80