#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 6.06 0.08 1.61 0.01 -1.26 -5.04 113.70 115.17 2hdm s SER 3 Ca 0.00 0.04 -0.31 0.00 1.31 0.00 0.00 55.95 57.00 2hdm s SER 3 Cb 0.00 -2.13 -0.08 0.00 0.21 0.00 0.00 66.02 64.02 2hdm s SER 3 CO 0.00 -0.05 1.50 -1.61 0.41 0.00 0.00 173.24 173.49 2hdm s GLU 4 N 1.68 4.26 -0.32 12.44 2.02 -1.26 -4.95 118.70 132.57 2hdm s GLU 4 Ca 0.08 2.17 -0.22 0.00 0.02 0.00 0.00 54.97 57.02 2hdm s GLU 4 Cb -0.16 -3.41 -0.00 0.00 0.10 0.00 0.00 34.13 30.66 2hdm s GLU 4 CO 0.10 -0.59 0.72 0.54 0.02 0.00 0.00 175.26 176.06 2hdm s VAL 5 N 1.87 4.84 -0.39 2.63 0.11 -1.26 -4.95 120.40 123.25 2hdm s VAL 5 Ca 0.68 1.00 0.05 0.00 -2.93 0.00 0.00 61.98 60.78 2hdm s VAL 5 Cb -0.38 -4.10 0.17 0.00 -1.53 0.00 0.00 36.38 30.54 2hdm s VAL 5 CO 0.30 -0.24 0.50 -0.94 -3.33 0.00 0.00 175.10 171.39 2hdm s SER 6 N 1.66 -0.11 0.54 3.54 1.04 -1.26 -5.14 113.70 113.97 2hdm s SER 6 Ca 0.29 -1.25 0.05 0.00 0.48 0.00 0.00 55.95 55.52 2hdm s SER 6 Cb -0.14 1.21 0.03 0.00 0.10 0.00 0.00 66.02 67.22 2hdm s SER 6 CO 0.13 -0.21 0.36 -0.62 0.98 0.00 0.00 173.24 173.88 2hdm s ASP 7 N 1.58 4.59 1.14 7.02 2.15 -1.26 -5.07 116.67 126.82 2hdm s ASP 7 Ca 0.17 -1.27 -0.12 0.00 0.43 0.00 0.00 52.55 51.75 2hdm s ASP 7 Cb -0.10 0.39 0.27 0.00 -0.30 0.00 0.00 42.92 43.19 2hdm s ASP 7 CO -0.05 -1.07 1.04 -0.54 -0.17 0.00 0.00 175.17 174.39 2hdm s LYS 8 N -4.24 -0.73 -1.64 4.34 1.02 -1.26 -3.01 119.74 114.23 2hdm s LYS 8 Ca 0.32 0.92 -0.03 0.00 0.02 0.00 0.00 55.97 57.20 2hdm s LYS 8 Cb -0.02 -1.57 0.00 0.00 -0.52 0.00 0.00 37.83 35.73 2hdm s LYS 8 CO 0.20 -3.62 0.42 0.54 -0.92 0.00 0.00 175.35 171.97 2hdm n ARG 9 N -4.86 -3.93 -0.06 1.68 1.74 -1.26 -4.88 116.66 105.09 2hdm n ARG 9 Ca 0.04 0.95 0.12 0.00 -0.77 0.00 0.00 57.85 58.18 2hdm n ARG 9 Cb 0.54 -5.76 0.51 0.00 -1.02 0.00 0.00 32.46 26.73 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 -0.97 0.91 -2.69 0.55 2.02 -1.96 -3.43 112.91 107.35 2hdm h THR 10 Ca -0.52 -0.13 -0.49 0.00 0.77 0.00 0.00 66.41 66.04 2hdm h THR 10 Cb 1.37 0.49 -0.14 0.00 -1.74 0.00 0.00 68.15 68.13 2hdm h THR 10 CO 0.58 0.07 -0.68 0.00 0.37 0.00 0.00 175.52 175.86 2hdm n VAL 12 N -0.56 0.00 -3.86 0.00 0.24 -1.26 -4.99 118.33 107.89 2hdm n VAL 12 Ca -0.06 -0.38 -0.36 0.00 -2.04 0.00 0.00 64.34 61.51 2hdm n VAL 12 Cb 0.63 0.92 -0.13 0.00 -1.47 0.00 0.00 33.84 33.79 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 -1.01 4.90 0.04 -1.34 0.01 -1.26 -5.09 113.70 109.96 2hdm s SER 13 Ca 0.00 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.04 2hdm s SER 13 Cb 0.00 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 2hdm s SER 13 CO 0.00 -0.01 0.05 -0.76 0.41 0.00 0.00 173.24 172.93 2hdm s LEU 14 N 1.43 3.70 0.16 2.44 1.02 -1.26 -4.68 118.68 121.49 2hdm s LEU 14 Ca 0.05 -0.00 -0.19 0.00 0.02 0.00 0.00 54.13 54.02 2hdm s LEU 14 Cb -0.15 -2.28 -0.07 0.00 0.02 0.00 0.00 46.19 43.71 2hdm s LEU 14 CO 0.02 0.22 0.64 0.28 0.02 0.00 0.00 176.35 177.53 2hdm s THR 15 N -1.26 4.67 -2.22 5.49 -1.32 0.54 -4.79 115.64 116.75 2hdm s THR 15 Ca 0.25 1.18 0.19 0.00 -1.21 0.00 0.00 61.69 62.10 2hdm s THR 15 Cb -0.12 -3.86 0.12 0.00 -1.51 0.00 0.00 72.50 67.13 2hdm s THR 15 CO 0.17 0.33 1.06 0.35 -2.21 0.00 0.00 174.62 174.32 2hdm n THR 16 N 1.07 0.00 -2.30 5.08 -2.24 -1.26 -2.46 114.28 112.17 2hdm n THR 16 Ca -0.05 -0.46 -0.26 0.00 -2.27 0.00 0.00 64.05 61.01 2hdm n THR 16 Cb 0.51 1.36 0.11 0.00 -2.10 0.00 0.00 70.33 70.21 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 -1.67 1.65 0.16 -0.78 -0.21 -1.26 -5.07 119.66 112.48 2hdm s GLN 17 Ca 0.21 -0.63 0.10 0.00 0.02 0.00 0.00 55.36 55.06 2hdm s GLN 17 Cb 0.15 -2.17 -0.04 0.00 1.00 0.00 0.00 33.01 31.96 2hdm s GLN 17 CO 0.28 -1.57 -0.21 1.03 -2.12 0.00 0.00 175.29 172.69 2hdm s ARG 18 N -5.34 1.63 0.04 2.91 0.52 -1.26 -4.99 118.95 112.45 2hdm s ARG 18 Ca 0.66 -1.36 0.09 0.00 -0.52 0.00 0.00 55.73 54.59 2hdm s ARG 18 Cb -0.07 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 2hdm s ARG 18 CO 0.46 0.44 -0.26 -0.51 0.02 0.00 0.00 175.30 175.45 2hdm s LEU 19 N -2.42 2.15 0.20 2.53 1.02 -1.26 -5.10 118.68 115.81 2hdm s LEU 19 Ca 0.19 -0.57 -0.32 0.00 0.02 0.00 0.00 54.13 53.45 2hdm s LEU 19 Cb -0.09 -1.28 -0.12 0.00 0.02 0.00 0.00 46.19 44.72 2hdm s LEU 19 CO 0.10 0.26 1.69 -0.81 0.02 0.00 0.00 176.35 177.61 2hdm n PRO 20 N 1.87 2.65 0.25 1.29 -0.04 -1.26 -4.85 135.00 134.92 2hdm n PRO 20 Ca -0.17 0.96 0.17 0.00 -0.04 0.00 0.00 63.50 64.42 2hdm n PRO 20 Cb 0.52 -2.79 0.79 0.00 -0.04 0.00 0.00 33.50 31.98 2hdm n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hdm h SER 22 N 0.00 0.00 -0.19 0.00 0.02 -2.05 -1.83 113.55 109.50 2hdm h SER 22 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hdm h SER 22 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2hdm h SER 22 CO 0.00 0.00 0.00 -2.11 -1.14 0.00 0.00 176.83 173.58 2hdm n ARG 23 N -4.13 2.04 -2.39 3.45 1.85 -0.43 -4.86 116.66 112.19 2hdm n ARG 23 Ca -0.03 -1.56 -0.42 0.00 -1.00 0.00 0.00 57.85 54.85 2hdm n ARG 23 Cb 0.11 -1.45 -0.03 0.00 -1.05 0.00 0.00 32.46 30.03 2hdm n ARG 23 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2hdm s ILE 24 N -1.76 3.96 -0.06 8.89 -1.09 -0.69 -1.57 121.20 128.87 2hdm s ILE 24 Ca 0.34 1.40 -0.09 0.00 -2.23 0.00 0.00 60.65 60.08 2hdm s ILE 24 Cb 0.20 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 2hdm s ILE 24 CO 0.29 0.10 -0.18 1.17 -1.23 0.00 0.00 174.94 175.10 2hdm n LYS 25 N 3.99 0.28 -3.95 2.79 0.00 -0.63 -4.77 118.16 115.86 2hdm n LYS 25 Ca 0.09 0.11 -0.10 0.00 0.00 0.00 0.00 58.31 58.42 2hdm n LYS 25 Cb 0.46 -0.99 -0.07 0.00 0.00 0.00 0.00 35.03 34.43 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 -2.43 0.06 0.08 3.15 -1.32 -1.02 -5.01 115.64 109.16 2hdm s THR 26 Ca -0.16 -1.37 0.01 0.00 -1.21 0.00 0.00 61.69 58.97 2hdm s THR 26 Cb 0.03 -1.84 -0.04 0.00 -1.51 0.00 0.00 72.50 69.14 2hdm s THR 26 CO 0.23 -0.28 -0.06 -0.72 -2.21 0.00 0.00 174.62 171.58 2hdm s TYR 27 N -3.97 0.81 -0.05 9.09 -0.85 -1.26 -0.45 117.35 120.66 2hdm s TYR 27 Ca 0.17 -0.90 -0.02 0.00 -0.52 0.00 0.00 57.07 55.80 2hdm s TYR 27 Cb 0.03 -0.48 0.04 0.00 0.38 0.00 0.00 41.96 41.92 2hdm s TYR 27 CO 0.00 -0.18 0.09 0.99 -1.52 0.00 0.00 175.55 174.93 2hdm s THR 28 N -3.46 -0.15 -0.15 -3.49 2.01 0.13 -4.96 115.64 105.58 2hdm s THR 28 Ca 0.09 0.39 -0.20 0.00 0.31 0.00 0.00 61.69 62.28 2hdm s THR 28 Cb 0.04 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 2hdm s THR 28 CO -0.05 0.16 0.56 -0.63 -0.69 0.00 0.00 174.62 173.97 2hdm s ILE 29 N 2.10 5.11 -0.17 1.82 1.01 -1.26 0.19 121.20 130.00 2hdm s ILE 29 Ca 0.03 1.09 0.01 0.00 0.00 0.00 0.00 60.65 61.78 2hdm s ILE 29 Cb -0.12 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.48 2hdm s ILE 29 CO -0.04 0.23 -0.18 0.42 0.00 0.00 0.00 174.94 175.37 2hdm s THR 30 N 1.18 1.90 -0.11 2.92 -4.23 0.81 -4.97 115.64 113.15 2hdm s THR 30 Ca 0.28 -0.84 -0.04 0.00 -1.18 0.00 0.00 61.69 59.91 2hdm s THR 30 Cb -0.16 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.92 2hdm s THR 30 CO 0.11 0.51 0.05 -1.61 -0.54 0.00 0.00 174.62 173.15 2hdm s GLU 31 N 1.33 3.25 0.00 3.99 2.02 -1.26 -0.76 118.70 127.27 2hdm s GLU 31 Ca 0.04 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.72 2hdm s GLU 31 Cb -0.13 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.14 2hdm s GLU 31 CO -0.12 0.67 0.00 0.41 0.02 0.00 0.00 175.26 176.24 2hdm n GLY 32 N 2.28 -1.93 5.00 -1.39 0.00 -1.26 -4.97 105.19 102.93 2hdm n GLY 32 Ca -0.19 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 -4.42 1.61 7.64 -1.26 -4.67 113.62 112.52 2hdm n SER 33 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 2hdm n SER 33 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 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 3.66 -0.16 -3.43 0.20 -1.26 -5.07 118.68 112.62 2hdm s LEU 34 Ca 0.00 -0.39 -0.15 0.00 0.69 0.00 0.00 54.13 54.28 2hdm s LEU 34 Cb 0.00 -1.93 -0.04 0.00 -0.43 0.00 0.00 46.19 43.79 2hdm s LEU 34 CO 0.00 -0.10 0.34 0.00 -0.29 0.00 0.00 176.35 176.30 2hdm s ARG 35 N 1.59 4.25 -0.03 1.98 1.70 -1.26 -4.60 118.95 122.58 2hdm s ARG 35 Ca 0.05 0.16 0.03 0.00 -0.47 0.00 0.00 55.73 55.50 2hdm s ARG 35 Cb -0.16 -3.45 0.00 0.00 -0.57 0.00 0.00 34.95 30.77 2hdm s ARG 35 CO 0.04 0.16 -0.10 0.00 -1.08 0.00 0.00 175.30 174.32 2hdm s ALA 36 N 0.68 0.96 -0.35 7.88 0.00 0.06 -4.76 121.76 126.22 2hdm s ALA 36 Ca 0.18 -0.37 -0.17 0.00 0.00 0.00 0.00 51.96 51.61 2hdm s ALA 36 Cb -0.14 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 2hdm s ALA 36 CO 0.06 0.15 0.43 0.54 0.00 0.00 0.00 175.76 176.94 2hdm s VAL 37 N 0.23 5.10 -0.24 0.00 0.11 -1.14 -0.13 120.40 124.32 2hdm s VAL 37 Ca -0.04 0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 58.99 2hdm s VAL 37 Cb -0.10 -3.91 -0.04 0.00 -1.53 0.00 0.00 36.38 30.81 2hdm s VAL 37 CO 0.01 -0.18 0.31 -0.63 -3.33 0.00 0.00 175.10 171.28 2hdm s ILE 38 N 2.19 5.24 -0.16 7.04 1.01 0.13 -0.92 121.20 135.74 2hdm s ILE 38 Ca 0.15 0.48 -0.06 0.00 0.00 0.00 0.00 60.65 61.22 2hdm s ILE 38 Cb -0.16 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2hdm s ILE 38 CO 0.13 0.25 0.04 -0.36 0.00 0.00 0.00 174.94 174.99 2hdm s PHE 39 N 1.53 3.22 -0.18 3.97 0.08 0.15 0.19 117.98 126.93 2hdm s PHE 39 Ca 0.14 0.05 -0.07 0.00 0.12 0.00 0.00 56.93 57.16 2hdm s PHE 39 Cb -0.15 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.26 2hdm s PHE 39 CO 0.08 0.21 0.06 0.42 -0.10 0.00 0.00 175.22 175.89 2hdm s ILE 40 N 0.08 4.79 0.78 0.64 -1.09 0.40 0.08 121.20 126.87 2hdm s ILE 40 Ca 0.04 -0.03 -0.07 0.00 -2.23 0.00 0.00 60.65 58.35 2hdm s ILE 40 Cb -0.12 -3.16 0.12 0.00 -1.58 0.00 0.00 42.46 37.72 2hdm s ILE 40 CO 0.01 0.46 1.09 0.42 -1.23 0.00 0.00 174.94 175.70 2hdm s THR 41 N 0.37 2.16 -0.69 2.92 -4.23 0.02 -1.61 115.64 114.58 2hdm s THR 41 Ca 0.03 -0.30 0.20 0.00 -1.18 0.00 0.00 61.69 60.44 2hdm s THR 41 Cb -0.12 -2.85 0.20 0.00 1.34 0.00 0.00 72.50 71.07 2hdm s THR 41 CO 0.00 0.00 1.62 0.29 -0.54 0.00 0.00 174.62 175.99 2hdm n LYS 42 N -3.13 0.12 0.00 3.99 5.02 -0.61 -0.99 118.16 122.56 2hdm n LYS 42 Ca 0.12 0.35 0.12 0.00 -2.02 0.00 0.00 58.31 56.89 2hdm n LYS 42 Cb 0.60 -1.73 0.29 0.00 -0.02 0.00 0.00 35.03 34.18 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 -1.95 0.33 -0.39 1.97 5.12 -1.26 -4.94 116.66 115.53 2hdm n ARG 43 Ca 0.03 -0.20 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 2hdm n ARG 43 Cb 0.21 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 2hdm n ARG 43 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hdm n GLY 44 N 1.44 0.80 3.86 -0.13 0.00 -0.16 -5.05 105.19 105.95 2hdm n GLY 44 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 3.98 -0.29 0.99 1.43 -1.26 -4.79 118.68 118.75 2hdm s LEU 45 Ca 0.00 1.21 -0.09 0.00 -1.03 0.00 0.00 54.13 54.22 2hdm s LEU 45 Cb 0.00 -4.04 -0.02 0.00 0.03 0.00 0.00 46.19 42.17 2hdm s LEU 45 CO 0.00 -0.27 0.12 -0.54 0.23 0.00 0.00 176.35 175.88 2hdm s LYS 46 N -3.30 3.45 0.10 1.70 1.02 -1.26 -0.80 119.74 120.65 2hdm s LYS 46 Ca 0.53 -0.63 0.09 0.00 0.02 0.00 0.00 55.97 55.98 2hdm s LYS 46 Cb -0.10 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 2hdm s LYS 46 CO 0.23 -0.33 -0.20 0.08 -0.92 0.00 0.00 175.35 174.21 2hdm s VAL 47 N 1.61 2.72 -0.11 3.17 1.01 0.11 -4.98 120.40 123.92 2hdm s VAL 47 Ca 0.05 -1.46 0.03 0.00 0.00 0.00 0.00 61.98 60.60 2hdm s VAL 47 Cb -0.16 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.02 2hdm s VAL 47 CO 0.05 0.16 -0.20 0.00 0.00 0.00 0.00 175.10 175.11 2hdm s ALA 49 N 0.68 1.71 -0.14 0.00 0.00 -0.09 -0.34 121.76 123.58 2hdm s ALA 49 Ca -0.12 -1.25 -0.29 0.00 0.00 0.00 0.00 51.96 50.30 2hdm s ALA 49 Cb -0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 2hdm s ALA 49 CO 0.02 0.29 1.18 0.34 0.00 0.00 0.00 175.76 177.60 2hdm s ASP 50 N -2.05 7.03 0.00 0.00 2.15 -1.03 -2.90 116.67 119.87 2hdm s ASP 50 Ca 0.07 1.65 0.14 0.00 0.43 0.00 0.00 52.55 54.84 2hdm s ASP 50 Cb -0.09 -2.55 0.65 0.00 -0.30 0.00 0.00 42.92 40.63 2hdm s ASP 50 CO 0.04 -0.67 1.42 -0.81 -0.17 0.00 0.00 175.17 174.99 2hdm n PRO 51 N 6.05 0.08 0.01 4.34 -0.04 -1.26 -1.72 135.00 142.46 2hdm n PRO 51 Ca 0.12 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 2hdm n PRO 51 Cb 0.46 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.41 0.06 -2.44 0.54 6.02 -1.26 -4.51 117.38 114.36 2hdm n GLN 52 Ca 0.05 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.63 2hdm n GLN 52 Cb 0.14 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 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 -3.03 3.38 0.33 -1.58 0.00 -0.70 -4.94 121.76 115.22 2hdm s ALA 53 Ca 0.10 0.83 0.03 0.00 0.00 0.00 0.00 51.96 52.92 2hdm s ALA 53 Cb 0.17 -3.43 0.58 0.00 0.00 0.00 0.00 23.12 20.43 2hdm s ALA 53 CO 0.72 -0.41 1.89 1.15 0.00 0.00 0.00 175.76 179.11 2hdm h THR 54 N 4.46 1.19 -0.13 0.00 2.02 -1.88 -0.53 112.91 118.05 2hdm h THR 54 Ca -0.42 -0.71 -0.11 0.00 0.77 0.00 0.00 66.41 65.95 2hdm h THR 54 Cb 1.21 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2hdm h THR 54 CO 0.80 0.26 -0.39 4.11 0.37 0.00 0.00 175.52 180.66 2hdm h TRP 55 N 0.60 0.33 -0.02 3.16 5.08 -1.94 -0.71 115.95 122.44 2hdm h TRP 55 Ca 0.14 -0.09 -0.01 0.00 1.08 0.00 0.00 58.89 60.01 2hdm h TRP 55 Cb 0.26 -0.07 -0.00 0.00 -3.00 0.00 0.00 29.16 26.35 2hdm h TRP 55 CO 0.01 0.64 -0.01 0.28 -1.28 0.00 0.00 178.44 178.07 2hdm h VAL 56 N 0.24 1.35 -0.97 0.12 2.07 -1.66 -1.23 116.25 116.16 2hdm h VAL 56 Ca 0.02 -1.05 0.11 0.00 0.82 0.00 0.00 66.70 66.60 2hdm h VAL 56 Cb 0.80 2.01 -0.08 0.00 -1.52 0.00 0.00 31.29 32.51 2hdm h VAL 56 CO 0.06 0.28 0.62 0.03 0.02 0.00 0.00 177.57 178.58 2hdm h ARG 57 N -0.38 0.94 -0.24 1.57 3.08 -0.82 0.55 114.38 119.08 2hdm h ARG 57 Ca 0.00 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 2hdm h ARG 57 Cb 0.46 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2hdm h ARG 57 CO 0.00 0.62 -0.03 0.22 -1.07 0.00 0.00 179.97 179.71 2hdm h ASP 58 N 0.97 0.45 0.58 7.04 3.58 -1.00 -2.73 116.42 125.30 2hdm h ASP 58 Ca 0.47 -0.34 -0.26 0.00 0.42 0.00 0.00 57.03 57.31 2hdm h ASP 58 Cb 0.45 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2hdm h ASP 58 CO -0.23 0.69 -1.16 0.00 -2.88 0.00 0.00 179.24 175.66 2hdm h VAL 60 N 0.10 0.72 0.03 0.00 3.04 -0.02 0.31 116.25 120.44 2hdm h VAL 60 Ca -0.12 -0.50 -0.33 0.00 -1.01 0.00 0.00 66.70 64.75 2hdm h VAL 60 Cb 1.86 1.30 -0.05 0.00 -2.01 0.00 0.00 31.29 32.40 2hdm h VAL 60 CO 0.19 0.12 -1.93 0.54 -1.01 0.00 0.00 177.57 175.49 2hdm n ARG 61 N -3.85 0.67 -0.37 4.17 5.12 -1.03 -2.62 116.66 118.74 2hdm n ARG 61 Ca -0.02 0.23 -0.02 0.00 -1.93 0.00 0.00 57.85 56.12 2hdm n ARG 61 Cb 0.22 -1.72 0.11 0.00 -1.16 0.00 0.00 32.46 29.92 2hdm n ARG 61 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2hdm h SER 62 N 0.02 1.14 0.75 0.55 0.02 0.08 -1.15 113.55 114.95 2hdm h SER 62 Ca -0.38 -0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 60.37 2hdm h SER 62 Cb 2.05 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 64.29 2hdm h SER 62 CO 0.06 0.82 -0.84 0.24 -1.14 0.00 0.00 176.83 175.97 2hdm h MET 63 N 1.34 0.06 -0.63 3.45 2.86 -1.10 -3.21 114.93 117.71 2hdm h MET 63 Ca 0.37 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.95 2hdm h MET 63 Cb -0.13 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 2hdm h MET 63 CO -0.09 0.86 0.41 0.22 1.06 0.00 0.00 176.91 179.38 2hdm h ASP 64 N 0.03 0.73 -0.54 1.22 3.58 -1.15 0.23 116.42 120.52 2hdm h ASP 64 Ca -0.02 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.42 2hdm h ASP 64 Cb 1.48 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 42.32 2hdm h ASP 64 CO 0.12 0.53 0.36 0.03 -2.88 0.00 0.00 179.24 177.39 2hdm h ARG 65 N 0.85 0.69 0.07 0.28 3.08 -1.28 -3.02 114.38 115.05 2hdm h ARG 65 Ca 0.23 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 2hdm h ARG 65 Cb -0.09 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 29.82 2hdm h ARG 65 CO -0.05 0.45 -0.52 0.87 -1.07 0.00 0.00 179.97 179.66 2hdm h LYS 66 N 0.71 0.22 -4.63 0.04 1.57 -1.33 -3.44 116.57 109.71 2hdm h LYS 66 Ca 0.20 -0.34 -0.65 0.00 -1.87 0.00 0.00 60.65 57.99 2hdm h LYS 66 Cb -0.05 0.12 -0.39 0.00 0.08 0.00 0.00 32.23 32.00 2hdm h LYS 66 CO -0.05 1.13 -0.76 -1.12 -0.57 0.00 0.00 179.45 178.08 2hdm s SER 67 N -6.68 4.46 -0.27 0.86 0.01 0.71 -4.93 113.70 107.86 2hdm s SER 67 Ca -0.15 -1.69 -0.01 0.00 1.31 0.00 0.00 55.95 55.41 2hdm s SER 67 Cb 0.00 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.76 2hdm s SER 67 CO 0.78 -0.29 0.02 -3.20 0.41 0.00 0.00 173.24 170.96 2hdm n ASN 68 N 4.42 -6.93 -4.12 2.44 5.15 -1.25 -4.52 115.26 110.45 2hdm n ASN 68 Ca -0.06 1.29 -0.19 0.00 -0.60 0.00 0.00 54.58 55.02 2hdm n ASN 68 Cb 0.42 -4.89 -0.13 0.00 -0.53 0.00 0.00 39.78 34.65 2hdm n ASN 68 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2hdm s THR 69 N -1.40 1.00 0.26 -0.44 -1.32 -1.22 -4.78 115.64 107.74 2hdm s THR 69 Ca -0.02 -0.95 -0.17 0.00 -1.21 0.00 0.00 61.69 59.35 2hdm s THR 69 Cb 0.00 -0.92 -0.08 0.00 -1.51 0.00 0.00 72.50 69.99 2hdm s THR 69 CO 0.71 -0.03 0.71 -0.13 -2.21 0.00 0.00 174.62 173.67 2hdm s ARG 70 N -1.10 4.10 0.25 7.08 3.00 -1.26 -4.97 118.95 126.04 2hdm s ARG 70 Ca 0.00 0.72 0.01 0.00 0.00 0.00 0.00 55.73 56.46 2hdm s ARG 70 Cb -0.08 -2.67 0.31 0.00 0.00 0.00 0.00 34.95 32.52 2hdm s ARG 70 CO 0.01 0.29 1.65 -0.91 0.00 0.00 0.00 175.30 176.34 2hdm h ASN 71 N 2.85 0.52 -3.78 0.23 4.21 -2.03 -3.41 115.58 114.17 2hdm h ASN 71 Ca -0.48 -0.21 -0.67 0.00 1.21 0.00 0.00 56.30 56.16 2hdm h ASN 71 Cb 1.18 -0.14 -0.32 0.00 -1.12 0.00 0.00 38.32 37.92 2hdm h ASN 71 CO 0.66 0.82 -0.88 0.21 -1.29 0.00 0.00 177.43 176.95 2hdm s ASN 72 N -6.83 2.95 -0.03 5.81 2.47 -1.26 -5.11 114.94 112.93 2hdm s ASN 72 Ca -0.07 -0.50 -0.19 0.00 0.42 0.00 0.00 52.86 52.52 2hdm s ASN 72 Cb 0.13 -0.99 0.04 0.00 -1.45 0.00 0.00 41.25 38.97 2hdm s ASN 72 CO 0.81 0.20 0.40 -0.32 -3.72 0.00 0.00 177.10 174.47 2hdm s MET 73 N 0.04 0.76 -0.68 0.43 1.75 -1.26 -5.09 119.30 115.25 2hdm s MET 73 Ca -0.09 -0.05 -0.26 0.00 -1.25 0.00 0.00 55.69 54.04 2hdm s MET 73 Cb -0.15 0.34 -0.02 0.00 2.84 0.00 0.00 34.83 37.84 2hdm s MET 73 CO 0.05 -0.21 1.83 0.42 -0.65 0.00 0.00 175.02 176.46 2hdm s ILE 74 N -1.23 3.40 -2.08 10.11 1.01 -1.26 -5.19 121.20 125.96 2hdm s ILE 74 Ca -0.12 0.10 0.17 0.00 0.00 0.00 0.00 60.65 60.80 2hdm s ILE 74 Cb -0.04 -4.04 0.13 0.00 0.01 0.00 0.00 42.46 38.52 2hdm s ILE 74 CO 0.05 -1.00 1.03 0.00 0.00 0.00 0.00 174.94 175.02