#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mhx s HIS 2 N 0.00 -0.53 0.03 1.12 5.65 -1.26 -5.17 115.29 115.13 1mhx s HIS 2 Ca 0.00 1.06 -0.20 0.00 0.25 0.00 0.00 55.06 56.17 1mhx s HIS 2 Cb 0.00 0.27 0.04 0.00 -1.18 0.00 0.00 32.58 31.71 1mhx s HIS 2 CO 0.00 -0.46 0.45 -3.38 -0.65 0.00 0.00 174.74 170.70 1mhx s HIS 3 N -0.74 -0.33 0.00 3.88 0.00 -1.26 -5.15 115.29 111.70 1mhx s HIS 3 Ca -0.08 0.36 -0.10 0.00 -3.00 0.00 0.00 55.06 52.24 1mhx s HIS 3 Cb -0.03 0.25 -0.05 0.00 -4.00 0.00 0.00 32.58 28.75 1mhx s HIS 3 CO 0.06 -0.57 0.33 -1.58 -1.00 0.00 0.00 174.74 171.97 1mhx s HIS 4 N -2.25 3.63 -0.32 0.38 5.04 -1.26 -5.06 115.29 115.46 1mhx s HIS 4 Ca -0.07 0.76 -0.04 0.00 -1.54 0.00 0.00 55.06 54.17 1mhx s HIS 4 Cb -0.01 -2.12 0.05 0.00 0.04 0.00 0.00 32.58 30.53 1mhx s HIS 4 CO -0.01 0.62 0.05 -1.58 -2.34 0.00 0.00 174.74 171.49 1mhx s HIS 5 N -1.21 3.27 -0.56 3.88 5.65 -1.26 -5.05 115.29 120.02 1mhx s HIS 5 Ca 0.25 -1.68 -0.26 0.00 0.25 0.00 0.00 55.06 53.62 1mhx s HIS 5 Cb -0.14 -2.21 0.04 0.00 -1.18 0.00 0.00 32.58 29.09 1mhx s HIS 5 CO 0.14 -0.77 1.05 -1.01 -0.65 0.00 0.00 174.74 173.49 1mhx s HIS 6 N 1.32 2.73 0.49 3.88 4.02 -1.26 -5.00 115.29 121.47 1mhx s HIS 6 Ca -0.03 0.20 -0.21 0.00 1.02 0.00 0.00 55.06 56.04 1mhx s HIS 6 Cb -0.20 -4.25 -0.07 0.00 -1.02 0.00 0.00 32.58 27.04 1mhx s HIS 6 CO 0.01 -1.43 1.09 -3.38 1.02 0.00 0.00 174.74 172.05 1mhx s HIS 7 N 4.35 2.89 0.28 1.40 -3.43 -1.26 -4.99 115.29 114.54 1mhx s HIS 7 Ca 0.36 1.57 -0.29 0.00 -0.80 0.00 0.00 55.06 55.90 1mhx s HIS 7 Cb -0.10 -3.19 -0.10 0.00 -1.43 0.00 0.00 32.58 27.76 1mhx s HIS 7 CO 0.22 -1.17 1.31 0.00 -2.00 0.00 0.00 174.74 173.11 1mhx s ALA 8 N -1.81 3.52 0.00 -1.38 0.00 -1.26 -5.04 121.76 115.79 1mhx s ALA 8 Ca 0.68 1.21 -0.05 0.00 0.00 0.00 0.00 51.96 53.79 1mhx s ALA 8 Cb -0.21 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.43 1mhx s ALA 8 CO 0.25 -0.59 0.09 -1.64 0.00 0.00 0.00 175.76 173.87 1mhx s MET 9 N -1.15 0.41 0.21 0.00 1.00 -1.26 -4.31 119.30 114.20 1mhx s MET 9 Ca 0.52 -0.40 0.11 0.00 0.00 0.00 0.00 55.69 55.92 1mhx s MET 9 Cb -0.39 0.17 -0.05 0.00 0.00 0.00 0.00 34.83 34.57 1mhx s MET 9 CO 0.47 -0.09 -0.20 -0.51 0.00 0.00 0.00 175.02 174.69 1mhx s ASP 10 N -1.28 3.65 0.13 3.03 1.01 -0.26 -4.83 116.67 118.12 1mhx s ASP 10 Ca -0.14 -0.85 -0.23 0.00 0.71 0.00 0.00 52.55 52.05 1mhx s ASP 10 Cb -0.08 -0.37 -0.07 0.00 1.01 0.00 0.00 42.92 43.41 1mhx s ASP 10 CO 0.01 0.09 0.69 0.42 0.21 0.00 0.00 175.17 176.59 1mhx s THR 11 N -1.90 4.53 0.12 -1.27 -4.23 -1.26 -1.17 115.64 110.45 1mhx s THR 11 Ca 0.24 1.49 0.10 0.00 -1.18 0.00 0.00 61.69 62.34 1mhx s THR 11 Cb -0.07 -4.03 -0.04 0.00 1.34 0.00 0.00 72.50 69.70 1mhx s THR 11 CO 0.12 0.53 -0.25 -0.31 -0.54 0.00 0.00 174.62 174.17 1mhx s TYR 12 N -1.14 2.12 0.10 3.99 1.51 0.22 -4.92 117.35 119.22 1mhx s TYR 12 Ca 0.33 -0.39 0.09 0.00 -1.01 0.00 0.00 57.07 56.09 1mhx s TYR 12 Cb -0.21 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 1mhx s TYR 12 CO 0.23 0.29 -0.22 -1.59 -1.11 0.00 0.00 175.55 173.15 1mhx s LYS 13 N -2.00 1.70 -0.19 -0.62 0.00 -0.26 -1.27 119.74 117.10 1mhx s LYS 13 Ca 0.11 -1.20 0.00 0.00 0.00 0.00 0.00 55.97 54.88 1mhx s LYS 13 Cb -0.10 -2.05 0.05 0.00 0.00 0.00 0.00 37.83 35.73 1mhx s LYS 13 CO 0.05 0.48 -0.07 -1.17 0.00 0.00 0.00 175.35 174.65 1mhx s LEU 14 N -1.95 2.02 -0.44 2.77 2.96 0.93 -0.15 118.68 124.82 1mhx s LEU 14 Ca 0.16 -0.85 -0.15 0.00 -0.22 0.00 0.00 54.13 53.07 1mhx s LEU 14 Cb -0.10 -1.07 0.04 0.00 0.50 0.00 0.00 46.19 45.56 1mhx s LEU 14 CO 0.07 -0.18 0.34 -0.36 -1.32 0.00 0.00 176.35 174.90 1mhx s PHE 15 N 1.51 3.24 -0.39 5.38 0.08 0.71 -0.94 117.98 127.57 1mhx s PHE 15 Ca -0.01 -0.77 -0.02 0.00 0.12 0.00 0.00 56.93 56.24 1mhx s PHE 15 Cb -0.16 -2.84 0.10 0.00 -0.57 0.00 0.00 43.02 39.55 1mhx s PHE 15 CO -0.08 -0.69 0.17 0.96 -0.10 0.00 0.00 175.22 175.49 1mhx s ILE 16 N 1.65 3.13 -1.03 0.64 -4.36 -0.75 -1.05 121.20 119.43 1mhx s ILE 16 Ca 0.04 -2.05 -0.21 0.00 -0.26 0.00 0.00 60.65 58.18 1mhx s ILE 16 Cb -0.21 -3.14 0.09 0.00 1.25 0.00 0.00 42.46 40.44 1mhx s ILE 16 CO 0.08 -0.64 1.37 -0.69 0.24 0.00 0.00 174.94 175.30 1mhx s VAL 17 N 1.12 4.28 -0.27 8.37 1.01 -1.19 -2.85 120.40 130.86 1mhx s VAL 17 Ca 0.08 -1.25 -0.07 0.00 0.00 0.00 0.00 61.98 60.73 1mhx s VAL 17 Cb -0.22 -4.97 -0.01 0.00 0.00 0.00 0.00 36.38 31.18 1mhx s VAL 17 CO -0.04 -1.78 0.07 -0.51 0.00 0.00 0.00 175.10 172.83 1mhx s ILE 18 N 3.94 4.09 0.00 2.22 2.07 -1.09 -4.55 121.20 127.88 1mhx s ILE 18 Ca 0.42 -0.42 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1mhx s ILE 18 Cb -0.01 -3.00 0.00 0.00 0.13 0.00 0.00 42.46 39.58 1mhx s ILE 18 CO -0.08 0.23 0.00 0.61 -1.91 0.00 0.00 174.94 173.79 1mhx n GLY 19 N 4.89 0.75 0.10 1.50 0.00 -1.26 -2.36 105.19 108.81 1mhx n GLY 19 Ca -0.16 0.56 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 1mhx n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mhx n ASP 20 N 9.25 0.95 -4.76 1.61 8.00 -1.26 -4.99 116.55 125.34 1mhx n ASP 20 Ca 0.00 -0.04 -0.36 0.00 0.71 0.00 0.00 54.79 55.11 1mhx n ASP 20 Cb 0.00 0.57 -0.08 0.00 -0.02 0.00 0.00 41.12 41.59 1mhx n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1mhx s ARG 21 N -2.45 3.41 -0.26 -1.24 3.52 -0.99 -5.08 118.95 115.85 1mhx s ARG 21 Ca -0.16 -0.27 -0.10 0.00 -0.13 0.00 0.00 55.73 55.08 1mhx s ARG 21 Cb 0.06 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.34 1mhx s ARG 21 CO 0.69 0.64 0.14 0.08 -0.81 0.00 0.00 175.30 176.05 1mhx s VAL 22 N -0.68 5.03 -0.12 7.11 1.01 -1.26 -2.68 120.40 128.81 1mhx s VAL 22 Ca 0.12 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1mhx s VAL 22 Cb -0.12 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1mhx s VAL 22 CO 0.02 0.31 -0.15 -0.69 0.00 0.00 0.00 175.10 174.59 1mhx s VAL 23 N 1.49 2.92 -0.24 2.92 1.01 -1.13 -5.02 120.40 122.35 1mhx s VAL 23 Ca 0.07 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1mhx s VAL 23 Cb -0.15 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1mhx s VAL 23 CO 0.07 0.54 -0.05 -0.69 0.00 0.00 0.00 175.10 174.97 1mhx s VAL 24 N 0.24 3.10 -0.16 2.92 1.01 -1.26 -1.82 120.40 124.43 1mhx s VAL 24 Ca -0.10 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 1mhx s VAL 24 Cb -0.16 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1mhx s VAL 24 CO 0.06 0.28 -0.06 -0.69 0.00 0.00 0.00 175.10 174.68 1mhx s VAL 25 N 1.39 3.60 0.16 2.92 1.01 -0.12 -4.93 120.40 124.43 1mhx s VAL 25 Ca 0.03 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.62 1mhx s VAL 25 Cb -0.16 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1mhx s VAL 25 CO -0.04 0.49 0.01 0.42 0.00 0.00 0.00 175.10 175.98 1mhx s THR 26 N 0.53 3.80 0.33 3.92 -4.23 -1.26 -0.05 115.64 118.68 1mhx s THR 26 Ca -0.05 -1.35 -0.09 0.00 -1.18 0.00 0.00 61.69 59.03 1mhx s THR 26 Cb -0.15 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 70.81 1mhx s THR 26 CO 0.03 -0.08 0.56 0.28 -0.54 0.00 0.00 174.62 174.87 1mhx s THR 27 N -1.67 0.00 0.06 3.99 -1.32 -0.40 -4.98 115.64 111.32 1mhx s THR 27 Ca 0.27 -1.39 0.08 0.00 -1.21 0.00 0.00 61.69 59.45 1mhx s THR 27 Cb -0.10 -2.58 -0.03 0.00 -1.51 0.00 0.00 72.50 68.28 1mhx s THR 27 CO 0.19 0.00 -0.23 -1.83 -2.21 0.00 0.00 174.62 170.54 1mhx s GLU 28 N -3.11 1.46 0.06 7.08 1.03 -1.26 -0.61 118.70 123.35 1mhx s GLU 28 Ca 0.24 -1.06 -0.27 0.00 0.03 0.00 0.00 54.97 53.91 1mhx s GLU 28 Cb -0.02 -1.66 0.08 0.00 -0.80 0.00 0.00 34.13 31.73 1mhx s GLU 28 CO 0.15 0.42 0.69 0.00 -1.33 0.00 0.00 175.26 175.19 1mhx s ALA 29 N -0.88 -1.70 0.34 -0.84 0.00 -0.32 -4.93 121.76 113.43 1mhx s ALA 29 Ca 0.09 0.87 0.07 0.00 0.00 0.00 0.00 51.96 52.99 1mhx s ALA 29 Cb -0.09 0.47 0.62 0.00 0.00 0.00 0.00 23.12 24.12 1mhx s ALA 29 CO 0.03 -0.62 1.83 -0.24 0.00 0.00 0.00 175.76 176.76 1mhx h VAL 30 N 2.31 1.23 -3.15 0.00 3.04 -1.86 -0.68 116.25 117.14 1mhx h VAL 30 Ca -0.29 -1.03 -0.04 0.00 -1.01 0.00 0.00 66.70 64.33 1mhx h VAL 30 Cb 1.24 1.30 -0.02 0.00 -2.01 0.00 0.00 31.29 31.81 1mhx h VAL 30 CO 0.37 0.32 0.20 1.51 -1.01 0.00 0.00 177.57 178.96 1mhx s ASP 31 N -6.85 0.07 0.21 3.17 1.47 -1.26 -4.69 116.67 108.78 1mhx s ASP 31 Ca -0.06 -1.10 -0.10 0.00 1.18 0.00 0.00 52.55 52.47 1mhx s ASP 31 Cb 0.15 0.81 0.19 0.00 -0.34 0.00 0.00 42.92 43.72 1mhx s ASP 31 CO 0.75 -1.58 1.85 0.00 0.68 0.00 0.00 175.17 176.87 1mhx h ALA 32 N 2.02 0.91 -0.79 2.11 0.00 -1.99 -1.21 119.26 120.32 1mhx h ALA 32 Ca -0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1mhx h ALA 32 Cb 1.25 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1mhx h ALA 32 CO 0.38 0.21 0.39 0.00 0.00 0.00 0.00 179.25 180.23 1mhx h ALA 33 N 1.30 1.21 -0.38 0.00 0.00 -1.99 0.12 119.26 119.52 1mhx h ALA 33 Ca 0.28 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1mhx h ALA 33 Cb 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1mhx h ALA 33 CO -0.11 0.61 -0.17 1.15 0.00 0.00 0.00 179.25 180.74 1mhx h THR 34 N 1.11 1.28 -0.72 0.00 2.02 -1.86 -2.21 112.91 112.53 1mhx h THR 34 Ca 0.27 -1.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.12 1mhx h THR 34 Cb 0.09 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1mhx h THR 34 CO -0.04 0.43 0.30 0.00 0.37 0.00 0.00 175.52 176.58 1mhx h ALA 35 N 0.81 1.17 -0.68 6.16 0.00 -0.77 -1.66 119.26 124.29 1mhx h ALA 35 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1mhx h ALA 35 Cb 0.71 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1mhx h ALA 35 CO 0.05 0.61 0.43 1.49 0.00 0.00 0.00 179.25 181.83 1mhx h GLU 36 N 1.04 0.91 -0.28 0.00 4.22 -0.53 0.59 114.58 120.52 1mhx h GLU 36 Ca 0.24 -0.07 -0.00 0.00 0.08 0.00 0.00 59.36 59.61 1mhx h GLU 36 Cb 0.18 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1mhx h GLU 36 CO -0.02 0.63 0.16 0.87 -2.18 0.00 0.00 179.01 178.47 1mhx h LYS 37 N 0.93 0.39 -0.05 1.92 1.57 -0.89 0.10 116.57 120.54 1mhx h LYS 37 Ca 0.25 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1mhx h LYS 37 Cb -0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1mhx h LYS 37 CO -0.05 0.32 0.01 0.28 -0.57 0.00 0.00 179.45 179.44 1mhx h VAL 38 N 0.35 0.98 0.00 0.50 2.07 -0.88 -1.84 116.25 117.43 1mhx h VAL 38 Ca 0.10 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.52 1mhx h VAL 38 Cb 0.04 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1mhx h VAL 38 CO -0.02 0.01 -0.41 -0.26 0.02 0.00 0.00 177.57 176.91 1mhx h PHE 39 N 0.04 0.00 -0.25 1.57 0.04 -0.80 -0.58 116.94 116.95 1mhx h PHE 39 Ca 0.02 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 1mhx h PHE 39 Cb 0.01 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1mhx h PHE 39 CO -0.09 0.41 -0.08 0.87 -0.60 0.00 0.00 178.31 178.81 1mhx h LYS 40 N 0.00 0.51 -0.59 1.51 6.56 -0.76 0.97 116.57 124.77 1mhx h LYS 40 Ca -0.00 -0.20 -0.08 0.00 -1.06 0.00 0.00 60.65 59.30 1mhx h LYS 40 Cb 0.79 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.40 1mhx h LYS 40 CO 0.05 0.74 0.04 0.37 -2.06 0.00 0.00 179.45 178.59 1mhx h GLN 41 N 0.24 1.01 -0.66 3.15 5.75 -1.14 -0.68 115.11 122.78 1mhx h GLN 41 Ca 0.06 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.25 1mhx h GLN 41 Cb 0.56 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 1mhx h GLN 41 CO 0.03 0.98 0.38 -0.92 -2.65 0.00 0.00 178.83 176.66 1mhx h TYR 42 N 0.91 0.89 -0.42 3.99 5.03 -0.94 0.21 116.97 126.63 1mhx h TYR 42 Ca 0.17 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.44 1mhx h TYR 42 Cb 0.50 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.47 1mhx h TYR 42 CO 0.04 0.62 0.14 0.00 -1.32 0.00 0.00 178.16 177.63 1mhx h ALA 43 N 1.19 0.56 -0.46 1.82 0.00 -0.50 -1.79 119.26 120.08 1mhx h ALA 43 Ca 0.24 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1mhx h ALA 43 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1mhx h ALA 43 CO -0.04 0.20 0.05 -0.97 0.00 0.00 0.00 179.25 178.48 1mhx h ASN 44 N 0.54 0.75 0.57 0.00 -1.24 -0.73 0.28 115.58 115.76 1mhx h ASN 44 Ca 0.14 -0.28 -0.02 0.00 0.71 0.00 0.00 56.30 56.85 1mhx h ASN 44 Cb 0.25 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.10 1mhx h ASN 44 CO -0.01 0.84 -0.07 0.44 -1.29 0.00 0.00 177.43 177.34 1mhx h ASP 45 N 0.63 0.00 -0.12 1.15 3.32 -0.45 -3.00 116.42 117.95 1mhx h ASP 45 Ca 0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1mhx h ASP 45 Cb 0.43 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 1mhx h ASP 45 CO 0.01 0.07 -0.01 0.59 -1.72 0.00 0.00 179.24 178.19 1mhx n ASN 46 N -3.33 3.00 -3.77 6.45 3.02 -0.69 -5.00 115.26 114.94 1mhx n ASN 46 Ca -0.01 -3.09 -0.27 0.00 -0.03 0.00 0.00 54.58 51.18 1mhx n ASN 46 Cb 0.25 -0.48 0.05 0.00 -0.61 0.00 0.00 39.78 38.99 1mhx n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mhx n GLY 47 N -1.04 -0.51 3.64 7.41 0.00 -0.64 -4.97 105.19 109.09 1mhx n GLY 47 Ca 0.19 0.22 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 1mhx n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mhx s VAL 48 N -3.32 5.07 0.11 1.61 1.01 0.90 -5.03 120.40 120.74 1mhx s VAL 48 Ca 0.60 0.99 0.09 0.00 0.00 0.00 0.00 61.98 63.65 1mhx s VAL 48 Cb -0.29 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1mhx s VAL 48 CO 0.79 0.12 -0.17 -0.62 0.00 0.00 0.00 175.10 175.21 1mhx s ASP 49 N 1.32 3.94 0.00 3.32 2.15 -1.26 -4.61 116.67 121.53 1mhx s ASP 49 Ca 0.24 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 52.69 1mhx s ASP 49 Cb -0.16 -0.58 0.00 0.00 -0.30 0.00 0.00 42.92 41.89 1mhx s ASP 49 CO 0.09 0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.89 1mhx n GLY 50 N 0.82 0.52 3.82 2.66 0.00 -1.26 -4.77 105.19 106.98 1mhx n GLY 50 Ca -0.15 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 1mhx n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mhx s GLU 51 N -1.21 3.18 0.29 1.61 0.41 -0.83 -4.88 118.70 117.28 1mhx s GLU 51 Ca 0.00 -0.42 0.10 0.00 -0.41 0.00 0.00 54.97 54.24 1mhx s GLU 51 Cb 0.00 -2.94 -0.06 0.00 -1.78 0.00 0.00 34.13 29.35 1mhx s GLU 51 CO 0.00 0.67 -0.13 1.67 -0.49 0.00 0.00 175.26 176.97 1mhx s TRP 52 N -1.21 2.21 0.16 1.61 1.48 -1.26 -0.43 118.94 121.50 1mhx s TRP 52 Ca 0.23 -0.48 0.02 0.00 -1.06 0.00 0.00 56.10 54.81 1mhx s TRP 52 Cb -0.12 -1.13 -0.04 0.00 -1.16 0.00 0.00 33.47 31.01 1mhx s TRP 52 CO 0.14 0.56 -0.01 0.95 -4.06 0.00 0.00 176.95 174.53 1mhx s THR 53 N -2.68 0.65 -0.01 0.66 -4.23 0.13 -4.97 115.64 105.20 1mhx s THR 53 Ca 0.30 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 1mhx s THR 53 Cb -0.00 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.82 1mhx s THR 53 CO 0.14 -0.55 0.00 -0.47 -0.54 0.00 0.00 174.62 173.20 1mhx s TYR 54 N -3.67 0.14 -0.33 3.99 5.04 -1.26 -1.14 117.35 120.11 1mhx s TYR 54 Ca 0.22 0.02 0.01 0.00 -2.44 0.00 0.00 57.07 54.88 1mhx s TYR 54 Cb 0.06 -0.19 0.09 0.00 0.35 0.00 0.00 41.96 42.27 1mhx s TYR 54 CO 0.02 -0.05 0.05 0.34 -1.34 0.00 0.00 175.55 174.57 1mhx s ASP 55 N 0.48 4.84 0.15 4.32 -1.08 -0.03 -5.01 116.67 120.34 1mhx s ASP 55 Ca -0.04 -1.84 -0.15 0.00 -0.52 0.00 0.00 52.55 50.00 1mhx s ASP 55 Cb -0.07 -1.67 0.03 0.00 -1.46 0.00 0.00 42.92 39.75 1mhx s ASP 55 CO -0.01 -0.36 1.77 -0.78 0.52 0.00 0.00 175.17 176.31 1mhx h ASP 56 N 7.80 0.55 -0.95 -0.34 3.58 -1.96 0.72 116.42 125.82 1mhx h ASP 56 Ca -0.12 -0.08 0.09 0.00 0.42 0.00 0.00 57.03 57.35 1mhx h ASP 56 Cb 1.04 -0.14 -0.07 0.00 1.72 0.00 0.00 39.33 41.88 1mhx h ASP 56 CO 0.55 0.47 0.61 0.00 -2.88 0.00 0.00 179.24 177.99 1mhx h ALA 57 N 1.11 1.54 -0.00 -0.78 0.00 -1.97 -0.46 119.26 118.69 1mhx h ALA 57 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1mhx h ALA 57 Cb 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1mhx h ALA 57 CO -0.03 0.27 -0.27 0.00 0.00 0.00 0.00 179.25 179.22 1mhx n ALA 58 N -2.38 3.07 -4.10 0.00 0.00 -1.03 -4.93 120.51 111.14 1mhx n ALA 58 Ca 0.16 -0.31 -0.33 0.00 0.00 0.00 0.00 53.44 52.96 1mhx n ALA 58 Cb 0.28 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 1mhx n ALA 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1mhx n LYS 59 N -1.12 -3.80 -4.86 0.00 5.02 0.19 -4.77 118.16 108.81 1mhx n LYS 59 Ca 0.10 0.44 -0.27 0.00 -2.02 0.00 0.00 58.31 56.55 1mhx n LYS 59 Cb 0.32 -5.12 -0.17 0.00 -0.02 0.00 0.00 35.03 30.05 1mhx n LYS 59 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1mhx s THR 60 N -3.39 1.52 -0.05 -0.18 2.01 -0.87 -1.11 115.64 113.58 1mhx s THR 60 Ca 0.61 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.87 1mhx s THR 60 Cb -0.32 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1mhx s THR 60 CO 0.90 0.44 0.07 -0.36 -0.69 0.00 0.00 174.62 174.97 1mhx s PHE 61 N 0.38 3.30 -0.04 4.92 0.40 0.79 -0.85 117.98 126.88 1mhx s PHE 61 Ca -0.13 0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.49 1mhx s PHE 61 Cb -0.15 -1.78 0.01 0.00 0.51 0.00 0.00 43.02 41.60 1mhx s PHE 61 CO 0.05 0.56 -0.11 0.99 0.70 0.00 0.00 175.22 177.40 1mhx s THR 62 N -1.08 1.01 -0.16 0.64 2.01 -0.29 -0.21 115.64 117.56 1mhx s THR 62 Ca 0.19 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.72 1mhx s THR 62 Cb -0.12 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 1mhx s THR 62 CO 0.09 0.32 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.55 1mhx s VAL 63 N 0.40 3.18 0.32 3.82 1.01 -0.22 -0.69 120.40 128.22 1mhx s VAL 63 Ca -0.08 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.40 1mhx s VAL 63 Cb -0.12 -2.38 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 1mhx s VAL 63 CO 0.02 0.49 -0.07 0.28 0.00 0.00 0.00 175.10 175.82 1mhx s THR 64 N 0.74 2.54 0.00 3.92 -1.32 0.43 -3.18 115.64 118.76 1mhx s THR 64 Ca -0.04 -2.14 0.00 0.00 -1.21 0.00 0.00 61.69 58.29 1mhx s THR 64 Cb -0.15 -2.64 0.00 0.00 -1.51 0.00 0.00 72.50 68.20 1mhx s THR 64 CO 0.02 -0.26 0.00 -0.62 -2.21 0.00 0.00 174.62 171.55