#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 0.00 1.61 1.04 -1.26 -4.65 113.70 116.85 2hdm s SER 3 Ca 0.00 -1.24 0.12 0.00 0.48 0.00 0.00 55.95 55.31 2hdm s SER 3 Cb 0.00 -2.53 0.05 0.00 0.10 0.00 0.00 66.02 63.63 2hdm s SER 3 CO 0.00 -1.53 0.78 -1.84 0.98 0.00 0.00 173.24 171.63 2hdm n GLU 4 N 8.60 1.35 -2.85 4.02 0.28 -1.26 -5.03 120.64 125.75 2hdm n GLU 4 Ca 0.21 -0.93 -0.06 0.00 -0.16 0.00 0.00 57.16 56.22 2hdm n GLU 4 Cb 0.50 -1.18 0.01 0.00 1.43 0.00 0.00 31.44 32.20 2hdm n GLU 4 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2hdm n VAL 5 N 0.22-10.53 -3.62 3.84 0.31 -1.26 -4.99 118.33 102.30 2hdm n VAL 5 Ca 0.06 0.58 -0.39 0.00 -0.01 0.00 0.00 64.34 64.58 2hdm n VAL 5 Cb 0.27 -7.09 -0.07 0.00 -0.91 0.00 0.00 33.84 26.04 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 -2.65 5.68 -0.30 4.52 1.04 -1.26 -4.98 113.70 115.74 2hdm s SER 6 Ca 0.18 -2.96 -0.09 0.00 0.48 0.00 0.00 55.95 53.56 2hdm s SER 6 Cb -0.05 -1.94 0.16 0.00 0.10 0.00 0.00 66.02 64.29 2hdm s SER 6 CO 0.73 -0.38 0.76 -0.62 0.98 0.00 0.00 173.24 174.72 2hdm s ASP 7 N 0.87 -1.01 1.01 7.02 2.15 -1.26 -5.03 116.67 120.42 2hdm s ASP 7 Ca 0.19 0.99 -0.14 0.00 0.43 0.00 0.00 52.55 54.02 2hdm s ASP 7 Cb -0.16 1.99 0.10 0.00 -0.30 0.00 0.00 42.92 44.54 2hdm s ASP 7 CO -0.06 -0.19 0.47 2.29 -0.17 0.00 0.00 175.17 177.52 2hdm n LYS 8 N 5.35 -0.86 -2.63 4.34 2.85 -1.26 -3.40 118.16 122.54 2hdm n LYS 8 Ca -0.07 -0.21 -0.22 0.00 -1.05 0.00 0.00 58.31 56.76 2hdm n LYS 8 Cb 0.51 -1.92 0.01 0.00 -0.65 0.00 0.00 35.03 32.97 2hdm n LYS 8 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2hdm n ARG 9 N -2.49 -2.89 -0.22 -1.58 1.74 -1.26 -4.86 116.66 105.10 2hdm n ARG 9 Ca 0.06 0.98 0.11 0.00 -0.77 0.00 0.00 57.85 58.23 2hdm n ARG 9 Cb 0.56 -5.73 0.41 0.00 -1.02 0.00 0.00 32.46 26.68 2hdm n ARG 9 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2hdm h THR 10 N -0.52 0.88 -3.68 0.55 2.02 -1.99 -3.41 112.91 106.77 2hdm h THR 10 Ca -0.51 -0.22 -0.17 0.00 0.77 0.00 0.00 66.41 66.28 2hdm h THR 10 Cb 1.37 0.19 -0.23 0.00 -1.74 0.00 0.00 68.15 67.74 2hdm h THR 10 CO 0.58 0.12 -0.60 0.00 0.37 0.00 0.00 175.52 175.98 2hdm n VAL 12 N 2.02 0.51 -3.20 0.00 0.24 -1.26 -4.81 118.33 111.83 2hdm n VAL 12 Ca -0.20 -0.76 -0.32 0.00 -2.04 0.00 0.00 64.34 61.03 2hdm n VAL 12 Cb 0.57 0.77 -0.05 0.00 -1.47 0.00 0.00 33.84 33.65 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 -0.63 6.68 -0.12 -1.34 1.04 -1.26 -4.96 113.70 113.12 2hdm s SER 13 Ca 0.05 1.12 0.01 0.00 0.48 0.00 0.00 55.95 57.61 2hdm s SER 13 Cb 0.03 -2.31 0.02 0.00 0.10 0.00 0.00 66.02 63.86 2hdm s SER 13 CO 0.04 -0.19 -0.13 -0.76 0.98 0.00 0.00 173.24 173.18 2hdm s LEU 14 N -3.07 1.60 0.21 2.42 1.43 -1.26 -4.43 118.68 115.58 2hdm s LEU 14 Ca 0.51 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 53.12 2hdm s LEU 14 Cb -0.11 -1.05 0.14 0.00 0.03 0.00 0.00 46.19 45.20 2hdm s LEU 14 CO 0.21 -0.03 1.75 0.00 0.23 0.00 0.00 176.35 178.51 2hdm h THR 15 N 6.03 1.26 0.00 5.49 1.03 -1.20 -3.46 112.91 122.07 2hdm h THR 15 Ca -0.33 -0.90 0.00 0.00 -0.01 0.00 0.00 66.41 65.17 2hdm h THR 15 Cb 1.15 0.41 0.00 0.00 -1.07 0.00 0.00 68.15 68.64 2hdm h THR 15 CO 0.49 0.36 0.00 0.41 -0.01 0.00 0.00 175.52 176.76 2hdm n THR 16 N -4.26 0.00 -1.78 0.00 -1.04 -1.26 -4.92 114.28 101.02 2hdm n THR 16 Ca 0.06 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.67 2hdm n THR 16 Cb 0.22 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.75 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 0.00 3.70 -0.04 -2.82 -1.52 -1.26 -4.95 119.66 112.76 2hdm s GLN 17 Ca 0.00 2.45 -0.16 0.00 -1.95 0.00 0.00 55.36 55.70 2hdm s GLN 17 Cb 0.00 -2.68 -0.05 0.00 -0.22 0.00 0.00 33.01 30.06 2hdm s GLN 17 CO 0.00 -0.82 0.44 1.03 -0.25 0.00 0.00 175.29 175.69 2hdm s ARG 18 N -2.43 4.10 0.03 2.91 0.52 -1.26 -5.05 118.95 117.77 2hdm s ARG 18 Ca 0.61 0.43 0.03 0.00 -0.52 0.00 0.00 55.73 56.27 2hdm s ARG 18 Cb -0.44 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 31.68 2hdm s ARG 18 CO 0.57 0.48 -0.01 -0.51 0.02 0.00 0.00 175.30 175.86 2hdm s LEU 19 N -0.43 3.46 0.36 2.53 1.02 -1.26 -5.09 118.68 119.28 2hdm s LEU 19 Ca 0.24 -0.08 -0.28 0.00 0.02 0.00 0.00 54.13 54.04 2hdm s LEU 19 Cb -0.16 -2.06 -0.11 0.00 0.02 0.00 0.00 46.19 43.88 2hdm s LEU 19 CO 0.12 0.25 1.43 -2.65 0.02 0.00 0.00 176.35 175.52 2hdm n PRO 20 N 1.14 2.51 0.26 1.29 -0.02 -1.26 -4.87 135.00 134.06 2hdm n PRO 20 Ca -0.13 0.88 0.15 0.00 -2.02 0.00 0.00 63.50 62.38 2hdm n PRO 20 Cb 0.52 -2.57 0.64 0.00 -0.02 0.00 0.00 33.50 32.08 2hdm n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hdm h SER 22 N 0.00 0.00 0.17 0.00 0.87 -2.04 -2.52 113.55 110.03 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 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2hdm h SER 22 CO 0.01 0.10 -0.46 0.54 -0.53 0.00 0.00 176.83 176.49 2hdm n ARG 23 N -3.51 0.72 -2.41 2.24 1.74 0.21 -4.85 116.66 110.79 2hdm n ARG 23 Ca -0.02 -0.51 -0.42 0.00 -0.77 0.00 0.00 57.85 56.13 2hdm n ARG 23 Cb 0.24 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 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 -2.64 4.02 -0.21 0.55 -1.09 -0.95 -1.85 121.20 119.04 2hdm s ILE 24 Ca 0.18 1.44 -0.14 0.00 -2.23 0.00 0.00 60.65 59.91 2hdm s ILE 24 Cb 0.18 -3.93 -0.09 0.00 -1.58 0.00 0.00 42.46 37.05 2hdm s ILE 24 CO 0.61 0.10 -0.31 1.17 -1.23 0.00 0.00 174.94 175.27 2hdm n LYS 25 N 4.10 0.50 -3.75 2.79 0.00 0.21 -4.73 118.16 117.27 2hdm n LYS 25 Ca 0.09 0.21 -0.09 0.00 0.00 0.00 0.00 58.31 58.53 2hdm n LYS 25 Cb 0.46 -1.35 -0.03 0.00 0.00 0.00 0.00 35.03 34.11 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 -2.58 0.01 0.15 3.15 -1.32 -1.05 -5.00 115.64 108.98 2hdm s THR 26 Ca -0.31 -0.78 0.02 0.00 -1.21 0.00 0.00 61.69 59.41 2hdm s THR 26 Cb 0.09 -1.71 -0.04 0.00 -1.51 0.00 0.00 72.50 69.33 2hdm s THR 26 CO 0.41 -0.03 -0.03 -0.72 -2.21 0.00 0.00 174.62 172.04 2hdm s TYR 27 N -3.88 1.14 -0.04 9.09 -0.85 -1.26 -0.20 117.35 121.34 2hdm s TYR 27 Ca 0.10 -0.94 -0.02 0.00 -0.52 0.00 0.00 57.07 55.68 2hdm s TYR 27 Cb -0.03 -0.64 0.03 0.00 0.38 0.00 0.00 41.96 41.70 2hdm s TYR 27 CO 0.01 -0.14 0.07 0.99 -1.52 0.00 0.00 175.55 174.96 2hdm s THR 28 N -3.59 -0.12 -0.24 -3.49 2.01 0.75 -4.94 115.64 106.03 2hdm s THR 28 Ca 0.19 0.37 -0.12 0.00 0.31 0.00 0.00 61.69 62.44 2hdm s THR 28 Cb 0.05 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.36 2hdm s THR 28 CO 0.01 0.15 0.23 -0.63 -0.69 0.00 0.00 174.62 173.69 2hdm s ILE 29 N 1.92 5.31 0.01 1.82 1.01 -1.26 0.26 121.20 130.26 2hdm s ILE 29 Ca 0.01 0.31 0.07 0.00 0.00 0.00 0.00 60.65 61.04 2hdm s ILE 29 Cb -0.12 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 2hdm s ILE 29 CO -0.04 0.31 -0.20 0.42 0.00 0.00 0.00 174.94 175.43 2hdm s THR 30 N 1.23 1.62 -0.01 2.92 -4.23 0.31 -4.99 115.64 112.50 2hdm s THR 30 Ca 0.10 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 2hdm s THR 30 Cb -0.14 -1.38 0.01 0.00 1.34 0.00 0.00 72.50 72.33 2hdm s THR 30 CO 0.06 0.35 0.01 -1.83 -0.54 0.00 0.00 174.62 172.67 2hdm s GLU 31 N -0.76 0.03 -0.31 3.99 -1.05 -1.26 -0.61 118.70 118.73 2hdm s GLU 31 Ca 0.08 0.05 -0.12 0.00 -0.15 0.00 0.00 54.97 54.82 2hdm s GLU 31 Cb -0.08 -0.12 0.19 0.00 -0.44 0.00 0.00 34.13 33.68 2hdm s GLU 31 CO 0.00 -0.05 1.13 0.20 0.95 0.00 0.00 175.26 177.49 2hdm s GLY 32 N 0.35 -1.66 0.00 -3.83 0.00 -1.26 -4.94 107.32 95.98 2hdm s GLY 32 Ca -0.03 1.36 0.00 0.00 0.00 0.00 0.00 44.72 46.05 2hdm s GLY 32 CO -0.01 4.42 0.00 1.44 0.00 0.00 0.00 173.10 178.95 2hdm n SER 33 N 3.41 0.00 -4.30 1.64 7.64 -1.26 -4.79 113.62 115.96 2hdm n SER 33 Ca 0.05 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.62 2hdm n SER 33 Cb 0.65 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.69 2hdm n SER 33 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2hdm s LEU 34 N 0.00 2.10 -0.26 -3.43 1.43 -1.26 -5.10 118.68 112.15 2hdm s LEU 34 Ca 0.00 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 2hdm s LEU 34 Cb 0.00 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 2hdm s LEU 34 CO 0.00 0.29 0.05 -0.60 0.23 0.00 0.00 176.35 176.32 2hdm s ARG 35 N -0.40 3.38 -0.01 1.70 3.52 -1.26 -4.25 118.95 121.63 2hdm s ARG 35 Ca 0.04 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 55.02 2hdm s ARG 35 Cb -0.12 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 29.98 2hdm s ARG 35 CO 0.01 -0.29 -0.12 0.00 -0.81 0.00 0.00 175.30 174.09 2hdm s ALA 36 N 1.54 1.03 -0.26 6.12 0.00 0.22 -4.56 121.76 125.86 2hdm s ALA 36 Ca 0.05 -0.52 -0.09 0.00 0.00 0.00 0.00 51.96 51.40 2hdm s ALA 36 Cb -0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2hdm s ALA 36 CO 0.02 0.24 0.13 0.54 0.00 0.00 0.00 175.76 176.69 2hdm s VAL 37 N -0.23 4.84 -0.31 0.00 0.11 -0.90 -0.53 120.40 123.38 2hdm s VAL 37 Ca 0.04 0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 58.93 2hdm s VAL 37 Cb -0.05 -3.28 -0.02 0.00 -1.53 0.00 0.00 36.38 31.50 2hdm s VAL 37 CO -0.00 0.30 0.44 -0.63 -3.33 0.00 0.00 175.10 171.88 2hdm s ILE 38 N 1.62 5.10 -0.22 7.04 1.01 0.14 -0.14 121.20 135.74 2hdm s ILE 38 Ca 0.07 0.41 -0.10 0.00 0.00 0.00 0.00 60.65 61.03 2hdm s ILE 38 Cb -0.15 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 2hdm s ILE 38 CO 0.07 -0.05 0.13 -0.36 0.00 0.00 0.00 174.94 174.73 2hdm s PHE 39 N 2.21 3.30 -0.19 3.97 0.08 0.14 -0.18 117.98 127.31 2hdm s PHE 39 Ca 0.16 0.16 -0.15 0.00 0.12 0.00 0.00 56.93 57.22 2hdm s PHE 39 Cb -0.16 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.04 2hdm s PHE 39 CO 0.11 0.08 0.35 0.42 -0.10 0.00 0.00 175.22 176.09 2hdm s ILE 40 N 0.86 5.24 0.50 0.64 -1.09 0.72 0.09 121.20 128.16 2hdm s ILE 40 Ca 0.06 0.63 -0.06 0.00 -2.23 0.00 0.00 60.65 59.05 2hdm s ILE 40 Cb -0.13 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 2hdm s ILE 40 CO 0.03 0.30 0.82 0.28 -1.23 0.00 0.00 174.94 175.14 2hdm s THR 41 N 1.04 4.88 -0.64 2.92 -1.32 0.22 -0.62 115.64 122.11 2hdm s THR 41 Ca 0.18 0.30 0.17 0.00 -1.21 0.00 0.00 61.69 61.13 2hdm s THR 41 Cb -0.14 -3.87 0.17 0.00 -1.51 0.00 0.00 72.50 67.15 2hdm s THR 41 CO 0.07 -0.89 1.53 0.29 -2.21 0.00 0.00 174.62 173.40 2hdm n LYS 42 N -2.33 0.10 0.18 7.08 5.02 -0.77 -0.39 118.16 127.06 2hdm n LYS 42 Ca 0.01 0.44 0.13 0.00 -2.02 0.00 0.00 58.31 56.87 2hdm n LYS 42 Cb 0.55 -1.74 0.42 0.00 -0.02 0.00 0.00 35.03 34.24 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 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.16 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 0.69 0.96 3.90 2.80 0.00 0.48 -5.09 105.19 108.94 2hdm n GLY 44 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 4.27 -0.27 0.99 1.43 -1.24 -4.88 118.68 118.98 2hdm s LEU 45 Ca 0.00 0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 53.54 2hdm s LEU 45 Cb 0.00 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 2hdm s LEU 45 CO 0.00 0.06 0.16 -1.59 0.23 0.00 0.00 176.35 175.20 2hdm s LYS 46 N -2.69 3.89 0.11 1.70 -2.85 -1.26 -0.61 119.74 118.02 2hdm s LYS 46 Ca 0.40 -0.36 0.08 0.00 -1.00 0.00 0.00 55.97 55.10 2hdm s LYS 46 Cb -0.12 -3.56 -0.04 0.00 -2.06 0.00 0.00 37.83 32.05 2hdm s LYS 46 CO 0.25 -0.16 -0.14 0.08 0.10 0.00 0.00 175.35 175.49 2hdm s VAL 47 N 1.65 3.11 -0.13 1.79 1.01 0.11 -4.97 120.40 122.97 2hdm s VAL 47 Ca 0.07 -1.40 0.03 0.00 0.00 0.00 0.00 61.98 60.67 2hdm s VAL 47 Cb -0.16 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.78 2hdm s VAL 47 CO 0.09 0.09 -0.22 0.00 0.00 0.00 0.00 175.10 175.06 2hdm s ALA 49 N 0.73 1.59 -0.21 0.00 0.00 0.80 -0.61 121.76 124.05 2hdm s ALA 49 Ca -0.09 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.34 2hdm s ALA 49 Cb -0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 2hdm s ALA 49 CO 0.00 0.22 1.20 0.34 0.00 0.00 0.00 175.76 177.52 2hdm s ASP 50 N -2.15 6.95 0.05 0.00 -1.08 -1.26 -2.11 116.67 117.08 2hdm s ASP 50 Ca 0.06 1.51 0.11 0.00 -0.52 0.00 0.00 52.55 53.72 2hdm s ASP 50 Cb -0.08 -2.54 0.50 0.00 -1.46 0.00 0.00 42.92 39.35 2hdm s ASP 50 CO 0.04 -0.78 1.36 -2.65 0.52 0.00 0.00 175.17 173.65 2hdm n PRO 51 N 6.64 0.03 0.04 4.34 -0.02 -1.26 -2.05 135.00 142.72 2hdm n PRO 51 Ca 0.13 0.38 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 2hdm n PRO 51 Cb 0.45 -1.57 0.09 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.64 0.28 -2.17 -0.52 1.13 -1.26 -4.46 117.38 108.74 2hdm n GLN 52 Ca 0.02 0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.69 2hdm n GLN 52 Cb 0.11 -1.62 -0.03 0.00 0.11 0.00 0.00 30.24 28.81 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 -3.18 3.57 0.35 -1.58 0.00 -0.87 -4.91 121.76 115.14 2hdm s ALA 53 Ca 0.05 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.18 2hdm s ALA 53 Cb 0.14 -3.51 0.64 0.00 0.00 0.00 0.00 23.12 20.39 2hdm s ALA 53 CO 0.77 -0.59 1.99 1.15 0.00 0.00 0.00 175.76 179.07 2hdm h THR 54 N 3.92 1.12 -0.08 0.00 2.02 -1.89 0.90 112.91 118.90 2hdm h THR 54 Ca -0.44 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 66.34 2hdm h THR 54 Cb 1.21 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2hdm h THR 54 CO 0.81 0.16 -0.42 4.11 0.37 0.00 0.00 175.52 180.55 2hdm h TRP 55 N 0.87 0.22 0.04 3.16 5.08 -1.94 0.33 115.95 123.71 2hdm h TRP 55 Ca 0.27 -0.06 -0.00 0.00 1.08 0.00 0.00 58.89 60.18 2hdm h TRP 55 Cb 0.01 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 26.13 2hdm h TRP 55 CO -0.00 0.58 -0.02 0.28 -1.28 0.00 0.00 178.44 178.00 2hdm h VAL 56 N 0.16 1.34 -0.79 0.12 2.07 -1.55 -1.58 116.25 116.01 2hdm h VAL 56 Ca 0.01 -1.37 0.13 0.00 0.82 0.00 0.00 66.70 66.29 2hdm h VAL 56 Cb 0.81 2.22 -0.09 0.00 -1.52 0.00 0.00 31.29 32.71 2hdm h VAL 56 CO 0.06 0.34 0.39 0.03 0.02 0.00 0.00 177.57 178.41 2hdm h ARG 57 N -0.67 0.57 -0.28 1.57 3.08 -0.66 0.58 114.38 118.56 2hdm h ARG 57 Ca -0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2hdm h ARG 57 Cb 0.60 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2hdm h ARG 57 CO 0.01 0.38 0.13 0.22 -1.07 0.00 0.00 179.97 179.63 2hdm h ASP 58 N 0.59 0.38 0.55 7.04 3.58 -0.90 -2.41 116.42 125.25 2hdm h ASP 58 Ca 0.42 -0.15 -0.29 0.00 0.42 0.00 0.00 57.03 57.43 2hdm h ASP 58 Cb 0.55 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2hdm h ASP 58 CO -0.34 0.42 -1.45 0.00 -2.88 0.00 0.00 179.24 175.00 2hdm h VAL 60 N 0.05 0.76 0.00 0.00 3.04 0.07 -0.35 116.25 119.82 2hdm h VAL 60 Ca -0.20 -0.65 -0.24 0.00 -1.01 0.00 0.00 66.70 64.60 2hdm h VAL 60 Cb 1.98 1.40 -0.04 0.00 -2.01 0.00 0.00 31.29 32.61 2hdm h VAL 60 CO 0.15 0.16 -1.56 0.03 -1.01 0.00 0.00 177.57 175.35 2hdm h ARG 61 N 0.00 0.00 -0.63 4.17 3.08 -1.38 -2.79 114.38 116.83 2hdm h ARG 61 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2hdm h ARG 61 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 2hdm h ARG 61 CO 0.02 0.42 0.27 0.77 -1.07 0.00 0.00 179.97 180.38 2hdm h SER 62 N 0.00 0.85 0.71 7.04 0.02 0.17 0.13 113.55 122.46 2hdm h SER 62 Ca -0.23 -0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 60.42 2hdm h SER 62 Cb 1.82 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 64.12 2hdm h SER 62 CO 0.07 0.77 -0.71 0.24 -1.14 0.00 0.00 176.83 176.06 2hdm h MET 63 N 0.87 0.01 0.00 3.45 2.86 -1.22 -2.58 114.93 118.32 2hdm h MET 63 Ca 0.21 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.77 2hdm h MET 63 Cb 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2hdm h MET 63 CO -0.02 0.71 -0.36 0.22 1.06 0.00 0.00 176.91 178.52 2hdm h ASP 64 N 0.00 0.00 0.68 1.22 3.58 -1.19 0.11 116.42 120.83 2hdm h ASP 64 Ca -0.01 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 2hdm h ASP 64 Cb 1.26 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 2hdm h ASP 64 CO 0.09 0.36 -0.51 -0.09 -2.88 0.00 0.00 179.24 176.22 2hdm h ARG 65 N 0.00 0.00 0.06 0.28 2.43 -0.36 -2.98 114.38 113.81 2hdm h ARG 65 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2hdm h ARG 65 Cb 0.76 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2hdm h ARG 65 CO 0.05 0.51 -0.03 0.87 -1.51 0.00 0.00 179.97 179.86 2hdm h LYS 66 N 0.00 -0.08 -3.86 0.20 1.57 -1.06 -3.41 116.57 109.94 2hdm h LYS 66 Ca -0.01 0.01 -0.76 0.00 -1.87 0.00 0.00 60.65 58.02 2hdm h LYS 66 Cb 0.99 0.02 -0.28 0.00 0.08 0.00 0.00 32.23 33.04 2hdm h LYS 66 CO 0.07 0.36 -0.08 -1.12 -0.57 0.00 0.00 179.45 178.11 2hdm s SER 67 N -5.71 6.29 0.28 0.86 0.01 0.31 -4.91 113.70 110.83 2hdm s SER 67 Ca -0.10 -2.53 0.03 0.00 1.31 0.00 0.00 55.95 54.66 2hdm s SER 67 Cb -0.01 -2.12 0.42 0.00 0.21 0.00 0.00 66.02 64.52 2hdm s SER 67 CO 0.36 -0.58 1.72 0.78 0.41 0.00 0.00 173.24 175.93 2hdm h ASN 68 N 7.84 0.44 0.00 2.44 4.21 -1.76 -3.26 115.58 125.49 2hdm h ASN 68 Ca -0.00 -0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.35 2hdm h ASN 68 Cb 1.03 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.11 2hdm h ASN 68 CO 0.79 0.72 0.00 0.35 -1.29 0.00 0.00 177.43 178.00 2hdm n THR 69 N -4.10 0.00 -3.60 2.81 -2.24 -1.26 -5.03 114.28 100.85 2hdm n THR 69 Ca -0.01 0.78 -0.03 0.00 -2.27 0.00 0.00 64.05 62.52 2hdm n THR 69 Cb 0.42 -1.62 -0.01 0.00 -2.10 0.00 0.00 70.33 67.02 2hdm n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hdm s ARG 70 N -1.44 0.52 -0.04 -0.78 1.70 -1.23 -5.13 118.95 112.54 2hdm s ARG 70 Ca 0.00 -0.24 -0.21 0.00 -0.47 0.00 0.00 55.73 54.82 2hdm s ARG 70 Cb 0.00 0.21 -0.05 0.00 -0.57 0.00 0.00 34.95 34.54 2hdm s ARG 70 CO 0.00 -0.23 0.60 0.54 -1.08 0.00 0.00 175.30 175.12 2hdm s ASN 71 N -2.54 6.92 -0.64 -2.89 4.22 -1.26 -4.84 114.94 113.91 2hdm s ASN 71 Ca 0.10 1.10 -0.26 0.00 -2.14 0.00 0.00 52.86 51.66 2hdm s ASN 71 Cb 0.01 -2.36 0.04 0.00 1.28 0.00 0.00 41.25 40.22 2hdm s ASN 71 CO -0.04 0.03 1.11 0.20 -2.04 0.00 0.00 177.10 176.35 2hdm s ASN 72 N 0.21 6.28 -0.30 3.54 -0.87 -1.26 -4.87 114.94 117.67 2hdm s ASN 72 Ca 0.32 -0.40 -0.05 0.00 -1.57 0.00 0.00 52.86 51.16 2hdm s ASN 72 Cb -0.17 -2.50 0.17 0.00 -0.02 0.00 0.00 41.25 38.73 2hdm s ASN 72 CO 0.16 -1.52 0.64 -0.32 -2.57 0.00 0.00 177.10 173.49 2hdm s MET 73 N 4.76 0.56 0.46 -0.60 1.75 -1.26 -5.15 119.30 119.80 2hdm s MET 73 Ca 0.33 1.13 -0.23 0.00 -1.25 0.00 0.00 55.69 55.67 2hdm s MET 73 Cb -0.11 0.65 -0.07 0.00 2.84 0.00 0.00 34.83 38.14 2hdm s MET 73 CO 0.18 -0.46 1.20 0.96 -0.65 0.00 0.00 175.02 176.24 2hdm s ILE 74 N 2.87 2.96 -1.25 10.11 -4.36 -1.26 -4.99 121.20 125.27 2hdm s ILE 74 Ca 0.11 0.74 0.10 0.00 -0.26 0.00 0.00 60.65 61.34 2hdm s ILE 74 Cb -0.14 -3.39 0.08 0.00 1.25 0.00 0.00 42.46 40.27 2hdm s ILE 74 CO -0.20 0.01 0.82 0.00 0.24 0.00 0.00 174.94 175.81