#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddh s GLN 2 N 0.00 0.50 0.26 0.03 0.74 -1.26 -4.88 119.66 115.05 1ddh s GLN 2 Ca 0.00 0.64 -0.08 0.00 0.05 0.00 0.00 55.36 55.98 1ddh s GLN 2 Cb 0.00 0.33 -0.06 0.00 1.10 0.00 0.00 33.01 34.37 1ddh s GLN 2 CO 0.00 -0.79 0.55 0.15 -0.55 0.00 0.00 175.29 174.65 1ddh s LYS 3 N 2.86 3.73 -0.01 1.67 1.02 -0.99 -4.83 119.74 123.18 1ddh s LYS 3 Ca 0.14 0.17 -0.24 0.00 0.02 0.00 0.00 55.97 56.06 1ddh s LYS 3 Cb -0.11 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 1ddh s LYS 3 CO -0.23 0.27 0.74 0.99 -0.92 0.00 0.00 175.35 176.19 1ddh s THR 4 N -1.94 4.90 0.11 2.17 2.01 -1.25 -2.12 115.64 119.52 1ddh s THR 4 Ca 0.46 1.54 -0.31 0.00 0.31 0.00 0.00 61.69 63.69 1ddh s THR 4 Cb -0.11 -4.08 -0.08 0.00 0.01 0.00 0.00 72.50 68.24 1ddh s THR 4 CO 0.25 0.31 1.48 -2.16 -0.69 0.00 0.00 174.62 173.81 1ddh s PRO 5 N 0.38 4.27 -0.70 4.92 0.04 -1.26 -4.12 135.00 138.53 1ddh s PRO 5 Ca 0.38 2.17 -0.16 0.00 0.04 0.00 0.00 61.00 63.43 1ddh s PRO 5 Cb -0.19 -3.32 0.16 0.00 0.04 0.00 0.00 34.50 31.19 1ddh s PRO 5 CO 0.21 -0.54 0.72 -1.14 0.04 0.00 0.00 177.00 176.28 1ddh s GLN 6 N 1.51 3.29 0.64 4.56 -0.44 -0.39 -4.84 119.66 123.99 1ddh s GLN 6 Ca 0.67 -1.89 -0.15 0.00 -2.50 0.00 0.00 55.36 51.50 1ddh s GLN 6 Cb -0.38 -4.41 -0.01 0.00 -1.64 0.00 0.00 33.01 26.57 1ddh s GLN 6 CO 0.30 -1.42 1.08 0.42 0.50 0.00 0.00 175.29 176.17 1ddh s ILE 7 N 1.48 3.62 -0.23 -2.34 1.01 -1.26 -2.56 121.20 120.91 1ddh s ILE 7 Ca 0.14 0.72 -0.04 0.00 0.00 0.00 0.00 60.65 61.47 1ddh s ILE 7 Cb -0.19 -3.26 0.12 0.00 0.01 0.00 0.00 42.46 39.15 1ddh s ILE 7 CO -0.02 -0.50 0.39 -1.10 0.00 0.00 0.00 174.94 173.71 1ddh s GLN 8 N -4.25 0.35 -0.44 2.79 -0.21 -0.98 -4.99 119.66 111.93 1ddh s GLN 8 Ca 0.64 0.68 -0.09 0.00 0.02 0.00 0.00 55.36 56.61 1ddh s GLN 8 Cb -0.17 -0.23 0.10 0.00 1.00 0.00 0.00 33.01 33.71 1ddh s GLN 8 CO 0.42 -0.54 0.30 0.08 -2.12 0.00 0.00 175.29 173.43 1ddh s VAL 9 N 2.57 4.24 0.01 1.09 1.01 -1.26 -2.77 120.40 125.29 1ddh s VAL 9 Ca 0.09 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1ddh s VAL 9 Cb -0.14 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 1ddh s VAL 9 CO -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 175.10 174.32 1ddh n TYR 10 N 4.92 -0.00 -4.67 5.22 4.11 -0.54 -4.39 117.16 121.80 1ddh n TYR 10 Ca -0.09 -0.06 -0.28 0.00 -0.00 0.00 0.00 57.90 57.47 1ddh n TYR 10 Cb 0.42 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.62 1ddh n TYR 10 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1ddh s SER 11 N -1.05 2.91 0.44 9.48 0.01 -1.26 -0.31 113.70 123.91 1ddh s SER 11 Ca 0.01 -0.61 0.21 0.00 1.31 0.00 0.00 55.95 56.87 1ddh s SER 11 Cb 0.00 -0.23 1.00 0.00 0.21 0.00 0.00 66.02 66.99 1ddh s SER 11 CO 0.00 0.19 1.89 -0.09 0.41 0.00 0.00 173.24 175.64 1ddh h ARG 12 N 4.59 0.00 -5.05 12.44 2.43 -0.96 -3.44 114.38 124.38 1ddh h ARG 12 Ca -0.46 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.36 1ddh h ARG 12 Cb 1.16 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 30.51 1ddh h ARG 12 CO 0.42 0.26 -0.75 -1.01 -1.51 0.00 0.00 179.97 177.38 1ddh s HIS 13 N -3.95 1.07 -0.03 2.20 3.76 -1.26 -4.99 115.29 112.09 1ddh s HIS 13 Ca -0.01 -0.55 -0.34 0.00 -0.15 0.00 0.00 55.06 54.01 1ddh s HIS 13 Cb 0.12 -0.59 -0.12 0.00 1.11 0.00 0.00 32.58 33.10 1ddh s HIS 13 CO 0.65 0.01 1.84 -2.30 -0.85 0.00 0.00 174.74 174.10 1ddh n PRO 14 N 0.97 2.27 -1.63 8.40 -0.02 -1.26 -4.87 135.00 138.86 1ddh n PRO 14 Ca -0.19 0.83 -0.48 0.00 -2.02 0.00 0.00 63.50 61.64 1ddh n PRO 14 Cb 0.56 -2.68 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 1ddh n PRO 14 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ddh n PRO 15 N 6.18 1.70 -3.54 0.52 -0.04 -1.26 -5.02 135.00 133.53 1ddh n PRO 15 Ca 0.21 0.61 -0.15 0.00 -0.04 0.00 0.00 63.50 64.13 1ddh n PRO 15 Cb 0.31 -2.29 -0.12 0.00 -0.04 0.00 0.00 33.50 31.36 1ddh n PRO 15 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ddh s GLU 16 N 0.37 0.19 -0.27 0.54 2.02 -1.26 -5.08 118.70 115.21 1ddh s GLU 16 Ca 0.78 0.45 -0.38 0.00 0.02 0.00 0.00 54.97 55.84 1ddh s GLU 16 Cb -0.78 -0.67 -0.14 0.00 0.10 0.00 0.00 34.13 32.65 1ddh s GLU 16 CO 0.45 -0.51 1.92 0.09 0.02 0.00 0.00 175.26 177.22 1ddh n ASN 17 N 5.34 2.51 0.00 -0.19 3.02 -1.26 -0.07 115.26 124.60 1ddh n ASN 17 Ca -0.05 0.85 0.00 0.00 -0.03 0.00 0.00 54.58 55.34 1ddh n ASN 17 Cb 0.50 -1.22 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 1ddh n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ddh n GLY 18 N 5.03 2.79 3.56 7.41 0.00 -0.95 -4.98 105.19 118.05 1ddh n GLY 18 Ca 0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 1ddh n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ddh s LYS 19 N -0.12 3.49 1.00 1.61 2.36 0.89 -4.95 119.74 124.02 1ddh s LYS 19 Ca 0.00 0.07 -0.20 0.00 -2.55 0.00 0.00 55.97 53.29 1ddh s LYS 19 Cb 0.00 -3.94 -0.12 0.00 -1.05 0.00 0.00 37.83 32.72 1ddh s LYS 19 CO 0.00 -1.21 -0.79 -2.30 1.55 0.00 0.00 175.35 172.60 1ddh n PRO 20 N 7.05 -0.16 -1.27 4.03 -0.02 -1.26 -4.44 135.00 138.94 1ddh n PRO 20 Ca 0.05 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1ddh n PRO 20 Cb 0.48 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 1ddh n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1ddh n ASN 21 N 2.46 0.00 -3.99 2.55 2.85 0.22 -4.92 115.26 114.43 1ddh n ASN 21 Ca -0.01 -0.78 -0.18 0.00 -0.11 0.00 0.00 54.58 53.50 1ddh n ASN 21 Cb 0.62 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.49 1ddh n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1ddh s ILE 22 N -2.38 0.63 -0.22 -1.44 1.01 -1.26 -0.51 121.20 117.02 1ddh s ILE 22 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 1ddh s ILE 22 Cb 0.00 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.93 1ddh s ILE 22 CO 0.00 0.19 -0.06 -0.22 0.00 0.00 0.00 174.94 174.85 1ddh s LEU 23 N -0.06 2.91 -0.06 2.97 0.20 -0.49 -0.21 118.68 123.94 1ddh s LEU 23 Ca 0.01 -0.54 -0.03 0.00 0.69 0.00 0.00 54.13 54.27 1ddh s LEU 23 Cb -0.05 -1.70 -0.04 0.00 -0.43 0.00 0.00 46.19 43.98 1ddh s LEU 23 CO -0.00 -0.05 0.08 0.20 -0.29 0.00 0.00 176.35 176.29 1ddh s ASN 24 N 1.43 5.78 -0.36 3.68 0.01 0.58 -1.99 114.94 124.07 1ddh s ASN 24 Ca 0.04 0.25 0.06 0.00 -0.71 0.00 0.00 52.86 52.51 1ddh s ASN 24 Cb -0.15 -1.73 0.44 0.00 0.41 0.00 0.00 41.25 40.23 1ddh s ASN 24 CO -0.04 0.34 1.15 0.00 -1.51 0.00 0.00 177.10 177.04 1ddh n TYR 26 N -0.59 1.17 -4.08 0.00 9.36 -1.11 -4.05 117.16 117.86 1ddh n TYR 26 Ca 0.41 0.49 -0.36 0.00 3.32 0.00 0.00 57.90 61.75 1ddh n TYR 26 Cb 0.82 -2.41 -0.07 0.00 -0.63 0.00 0.00 39.34 37.05 1ddh n TYR 26 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1ddh s VAL 27 N 7.51 5.01 0.00 2.97 1.01 -0.32 -2.31 120.40 134.28 1ddh s VAL 27 Ca 1.19 0.02 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1ddh s VAL 27 Cb -1.16 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1ddh s VAL 27 CO 0.54 0.61 0.00 1.07 0.00 0.00 0.00 175.10 177.32 1ddh n THR 28 N 2.07 0.00 -2.18 3.92 5.66 -1.06 -2.02 114.28 120.67 1ddh n THR 28 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1ddh n THR 28 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1ddh n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ddh n GLN 29 N 0.00 -2.61 -4.75 1.09 1.13 -1.14 -1.26 117.38 109.84 1ddh n GLN 29 Ca 0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 1ddh n GLN 29 Cb 0.00 -4.20 -0.14 0.00 0.11 0.00 0.00 30.24 26.02 1ddh n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1ddh s PHE 30 N -1.76 2.45 -0.07 1.08 -0.71 -1.24 -3.74 117.98 113.99 1ddh s PHE 30 Ca 0.00 -0.33 -0.11 0.00 -1.04 0.00 0.00 56.93 55.45 1ddh s PHE 30 Cb 0.00 -1.42 0.02 0.00 -1.21 0.00 0.00 43.02 40.41 1ddh s PHE 30 CO 0.00 0.21 0.28 -1.58 -1.34 0.00 0.00 175.22 172.78 1ddh s HIS 31 N -0.88 -0.24 1.03 3.49 2.46 -0.90 -2.46 115.29 117.78 1ddh s HIS 31 Ca 0.13 0.55 -0.13 0.00 0.47 0.00 0.00 55.06 56.08 1ddh s HIS 31 Cb -0.10 0.09 0.20 0.00 -0.13 0.00 0.00 32.58 32.64 1ddh s HIS 31 CO 0.04 -0.23 1.10 -1.25 -2.47 0.00 0.00 174.74 171.94 1ddh s PRO 32 N -0.38 0.20 0.00 2.88 0.04 -1.26 -2.36 135.00 134.11 1ddh s PRO 32 Ca -0.05 0.37 0.04 0.00 0.04 0.00 0.00 61.00 61.39 1ddh s PRO 32 Cb -0.03 -1.72 0.20 0.00 0.04 0.00 0.00 34.50 32.99 1ddh s PRO 32 CO 0.01 -2.86 0.84 -0.35 0.04 0.00 0.00 177.00 174.69 1ddh n PRO 33 N -4.24 0.08 -3.21 0.56 -0.04 -1.26 -4.63 135.00 122.26 1ddh n PRO 33 Ca 0.06 0.15 -0.35 0.00 -0.04 0.00 0.00 63.50 63.32 1ddh n PRO 33 Cb 0.58 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.48 1ddh n PRO 33 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ddh s HIS 34 N -2.33 3.55 -0.15 0.54 3.76 -1.26 -5.05 115.29 114.36 1ddh s HIS 34 Ca 0.04 1.21 -0.32 0.00 -0.15 0.00 0.00 55.06 55.84 1ddh s HIS 34 Cb 0.03 -2.50 0.13 0.00 1.11 0.00 0.00 32.58 31.35 1ddh s HIS 34 CO 0.05 0.30 1.11 -1.50 -0.85 0.00 0.00 174.74 173.85 1ddh s ILE 35 N -1.64 0.00 -0.07 0.60 2.07 -1.26 -4.62 121.20 116.27 1ddh s ILE 35 Ca 0.45 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.69 1ddh s ILE 35 Cb -0.14 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.47 1ddh s ILE 35 CO 0.20 0.00 -0.05 -1.61 -1.91 0.00 0.00 174.94 171.56 1ddh s GLU 36 N -2.29 1.09 -0.13 3.50 2.02 -0.03 -4.99 118.70 117.87 1ddh s GLU 36 Ca 0.07 -0.14 0.02 0.00 0.02 0.00 0.00 54.97 54.93 1ddh s GLU 36 Cb -0.01 -1.15 0.01 0.00 0.10 0.00 0.00 34.13 33.08 1ddh s GLU 36 CO -0.05 -0.17 -0.19 0.42 0.02 0.00 0.00 175.26 175.30 1ddh s ILE 37 N 1.34 1.82 -0.11 -1.63 1.01 -1.26 -0.60 121.20 121.77 1ddh s ILE 37 Ca -0.04 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1ddh s ILE 37 Cb -0.14 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.70 1ddh s ILE 37 CO -0.03 0.50 -0.21 -1.58 0.00 0.00 0.00 174.94 173.63 1ddh s GLN 38 N 0.99 2.79 -0.34 2.79 0.74 0.57 -4.98 119.66 122.21 1ddh s GLN 38 Ca -0.04 -0.78 -0.14 0.00 0.05 0.00 0.00 55.36 54.45 1ddh s GLN 38 Cb -0.15 -2.19 -0.01 0.00 1.10 0.00 0.00 33.01 31.76 1ddh s GLN 38 CO -0.04 0.07 0.28 -1.64 -0.55 0.00 0.00 175.29 173.41 1ddh s MET 39 N 0.61 3.49 -0.11 1.67 -1.94 -1.26 -0.51 119.30 121.25 1ddh s MET 39 Ca -0.13 -0.59 -0.03 0.00 -1.71 0.00 0.00 55.69 53.23 1ddh s MET 39 Cb -0.17 -3.82 -0.03 0.00 2.01 0.00 0.00 34.83 32.83 1ddh s MET 39 CO 0.04 -0.48 -0.01 -0.51 -0.01 0.00 0.00 175.02 174.04 1ddh s LEU 40 N 1.81 3.48 -0.31 -0.03 1.43 -0.28 0.56 118.68 125.35 1ddh s LEU 40 Ca 0.08 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1ddh s LEU 40 Cb -0.17 -1.81 0.09 0.00 0.03 0.00 0.00 46.19 44.33 1ddh s LEU 40 CO 0.11 0.31 0.02 -0.75 0.23 0.00 0.00 176.35 176.26 1ddh s LYS 41 N -0.45 1.55 -0.67 1.70 2.20 0.77 -1.33 119.74 123.51 1ddh s LYS 41 Ca 0.08 -1.59 -0.00 0.00 -0.36 0.00 0.00 55.97 54.09 1ddh s LYS 41 Cb -0.12 -2.94 -0.00 0.00 -1.51 0.00 0.00 37.83 33.25 1ddh s LYS 41 CO 0.02 -0.84 0.56 0.09 -0.36 0.00 0.00 175.35 174.82 1ddh n ASN 42 N 4.40 -2.32 0.00 1.43 3.02 0.15 -3.56 115.26 118.37 1ddh n ASN 42 Ca -0.02 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 1ddh n ASN 42 Cb 0.42 -3.13 0.00 0.00 -0.61 0.00 0.00 39.78 36.46 1ddh n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ddh n GLY 43 N -1.10 1.17 3.79 7.41 0.00 -1.26 -4.95 105.19 110.23 1ddh n GLY 43 Ca -0.15 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1ddh n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddh s LYS 44 N 0.00 2.04 0.39 1.61 1.02 -1.23 -4.95 119.74 118.62 1ddh s LYS 44 Ca 0.00 0.75 -0.13 0.00 0.02 0.00 0.00 55.97 56.60 1ddh s LYS 44 Cb 0.00 -1.90 -0.08 0.00 -0.52 0.00 0.00 37.83 35.33 1ddh s LYS 44 CO 0.00 -1.68 0.79 0.15 -0.92 0.00 0.00 175.35 173.69 1ddh s LYS 45 N -5.08 3.90 -0.36 1.68 -0.14 -1.26 -0.16 119.74 118.32 1ddh s LYS 45 Ca 0.61 0.63 -0.18 0.00 -1.36 0.00 0.00 55.97 55.67 1ddh s LYS 45 Cb -0.15 -2.37 -0.00 0.00 -1.68 0.00 0.00 37.83 33.63 1ddh s LYS 45 CO 0.55 0.01 0.49 0.42 -0.76 0.00 0.00 175.35 176.06 1ddh s ILE 46 N -2.24 5.04 0.00 2.17 1.01 0.19 -4.69 121.20 122.67 1ddh s ILE 46 Ca 0.54 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1ddh s ILE 46 Cb -0.10 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1ddh s ILE 46 CO 0.25 -0.23 0.91 -2.65 0.00 0.00 0.00 174.94 173.23 1ddh n PRO 47 N 5.69 0.00 -0.83 2.79 -0.02 -1.26 -3.06 135.00 138.31 1ddh n PRO 47 Ca -0.06 0.79 -0.25 0.00 -2.02 0.00 0.00 63.50 61.97 1ddh n PRO 47 Cb 0.49 -1.41 -0.02 0.00 -0.02 0.00 0.00 33.50 32.53 1ddh n PRO 47 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1ddh n LYS 48 N -2.43 2.35 -1.38 -0.52 0.00 -1.26 -4.83 118.16 110.09 1ddh n LYS 48 Ca 0.00 -1.57 -0.31 0.00 -0.00 0.00 0.00 58.31 56.43 1ddh n LYS 48 Cb 0.00 -2.50 -0.09 0.00 -0.00 0.00 0.00 35.03 32.44 1ddh n LYS 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1ddh n VAL 49 N 4.07 0.88 -1.85 0.58 0.31 -1.17 -4.79 118.33 116.35 1ddh n VAL 49 Ca 0.50 -0.85 -0.43 0.00 -0.01 0.00 0.00 64.34 63.55 1ddh n VAL 49 Cb 0.15 -2.11 -0.03 0.00 -0.91 0.00 0.00 33.84 30.95 1ddh n VAL 49 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ddh s GLU 50 N 6.94 3.60 0.25 5.55 2.02 -1.24 -4.84 118.70 130.98 1ddh s GLU 50 Ca 0.70 1.94 0.09 0.00 0.02 0.00 0.00 54.97 57.73 1ddh s GLU 50 Cb 0.05 -4.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.05 1ddh s GLU 50 CO 0.20 -1.54 0.03 -1.64 0.02 0.00 0.00 175.26 172.32 1ddh s MET 51 N 5.27 2.41 0.16 1.61 -1.94 -1.26 0.11 119.30 125.65 1ddh s MET 51 Ca 0.85 -1.31 -0.24 0.00 -1.71 0.00 0.00 55.69 53.28 1ddh s MET 51 Cb -0.31 -2.26 0.06 0.00 2.01 0.00 0.00 34.83 34.34 1ddh s MET 51 CO 0.34 0.39 0.72 -1.12 -0.01 0.00 0.00 175.02 175.34 1ddh s SER 52 N -3.57 -0.41 0.00 3.03 0.01 0.60 -4.90 113.70 108.46 1ddh s SER 52 Ca 0.31 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1ddh s SER 52 Cb -0.07 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1ddh s SER 52 CO 0.20 -1.00 0.00 0.47 0.41 0.00 0.00 173.24 173.32 1ddh n ASP 53 N -0.39 0.00 -0.34 2.44 9.92 -1.26 -1.01 116.55 125.91 1ddh n ASP 53 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 1ddh n ASP 53 Cb 0.62 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.10 1ddh n ASP 53 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1ddh n MET 54 N 0.00 0.00 0.00 -1.24 1.56 -1.22 -4.98 117.12 111.25 1ddh n MET 54 Ca 0.00 0.11 0.00 0.00 -0.27 0.00 0.00 57.70 57.54 1ddh n MET 54 Cb 0.00 -0.34 0.00 0.00 2.15 0.00 0.00 33.22 35.03 1ddh n MET 54 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1ddh n SER 55 N -0.12 0.00 -3.60 6.12 7.64 -0.92 -5.03 113.62 117.71 1ddh n SER 55 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1ddh n SER 55 Cb 0.01 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.17 1ddh n SER 55 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1ddh s PHE 56 N -2.21 -0.26 0.82 1.43 -0.71 -1.26 -1.57 117.98 114.22 1ddh s PHE 56 Ca 0.00 -0.04 -0.08 0.00 -1.04 0.00 0.00 56.93 55.77 1ddh s PHE 56 Cb 0.00 0.31 0.15 0.00 -1.21 0.00 0.00 43.02 42.27 1ddh s PHE 56 CO 0.00 -0.73 1.14 -1.12 -1.34 0.00 0.00 175.22 173.17 1ddh s SER 57 N -2.80 3.85 0.27 1.98 0.01 -0.62 -4.94 113.70 111.46 1ddh s SER 57 Ca 0.03 -0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.26 1ddh s SER 57 Cb 0.01 -0.23 0.47 0.00 0.21 0.00 0.00 66.02 66.48 1ddh s SER 57 CO -0.12 -2.22 1.86 0.50 0.41 0.00 0.00 173.24 173.67 1ddh h LYS 58 N -1.02 1.05 -0.97 12.44 1.63 -2.02 -0.31 116.57 127.37 1ddh h LYS 58 Ca -0.40 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.27 1ddh h LYS 58 Cb 1.26 -0.24 -0.04 0.00 -0.60 0.00 0.00 32.23 32.61 1ddh h LYS 58 CO 0.41 0.70 0.08 -0.40 -3.45 0.00 0.00 179.45 176.79 1ddh n ASP 59 N -4.56 2.68 0.00 4.20 5.75 -1.26 -4.83 116.55 118.52 1ddh n ASP 59 Ca 0.17 -2.27 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 1ddh n ASP 59 Cb 0.27 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 1ddh n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1ddh n TRP 60 N 0.15 0.00 -1.36 2.11 7.02 -0.13 -4.92 117.44 120.31 1ddh n TRP 60 Ca 0.10 0.00 -0.60 0.00 -1.02 0.00 0.00 57.50 55.97 1ddh n TRP 60 Cb 0.62 -0.07 -0.11 0.00 -2.42 0.00 0.00 31.31 29.33 1ddh n TRP 60 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1ddh n SER 61 N 0.36 1.03 -4.47 -0.99 3.41 -1.26 -4.24 113.62 107.45 1ddh n SER 61 Ca 0.00 0.74 -0.30 0.00 -0.26 0.00 0.00 58.87 59.05 1ddh n SER 61 Cb 0.00 -0.95 0.22 0.00 -0.26 0.00 0.00 64.21 63.23 1ddh n SER 61 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ddh n PHE 62 N 7.16 -0.91 -3.50 7.33 3.01 -1.03 -1.58 117.46 127.93 1ddh n PHE 62 Ca 0.49 0.02 -0.13 0.00 1.01 0.00 0.00 57.45 58.83 1ddh n PHE 62 Cb -0.01 -1.74 -0.04 0.00 -0.01 0.00 0.00 39.48 37.68 1ddh n PHE 62 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 1ddh s TYR 63 N -2.42 -0.51 0.09 1.38 -0.85 -0.61 -2.90 117.35 111.53 1ddh s TYR 63 Ca 0.66 0.63 -0.26 0.00 -0.52 0.00 0.00 57.07 57.58 1ddh s TYR 63 Cb -0.23 0.48 0.08 0.00 0.38 0.00 0.00 41.96 42.68 1ddh s TYR 63 CO 0.64 -0.61 0.82 -1.50 -1.52 0.00 0.00 175.55 173.39 1ddh s ILE 64 N -2.24 0.00 -0.07 -3.49 2.07 -0.86 -2.16 121.20 114.45 1ddh s ILE 64 Ca -0.03 -0.20 -0.03 0.00 -1.41 0.00 0.00 60.65 58.98 1ddh s ILE 64 Cb -0.01 -1.27 0.04 0.00 0.13 0.00 0.00 42.46 41.36 1ddh s ILE 64 CO -0.02 0.00 0.16 -0.22 -1.91 0.00 0.00 174.94 172.95 1ddh s LEU 65 N -2.67 0.52 0.26 8.50 0.20 -0.18 -1.17 118.68 124.14 1ddh s LEU 65 Ca 0.06 0.33 0.01 0.00 0.69 0.00 0.00 54.13 55.22 1ddh s LEU 65 Cb -0.01 0.39 -0.04 0.00 -0.43 0.00 0.00 46.19 46.10 1ddh s LEU 65 CO -0.07 -0.17 0.43 0.00 -0.29 0.00 0.00 176.35 176.26 1ddh s ALA 66 N 1.42 3.81 -0.30 5.97 0.00 -1.26 -0.29 121.76 131.11 1ddh s ALA 66 Ca -0.07 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 1ddh s ALA 66 Cb -0.12 -1.97 0.19 0.00 0.00 0.00 0.00 23.12 21.22 1ddh s ALA 66 CO -0.06 0.25 0.76 -3.38 0.00 0.00 0.00 175.76 173.32 1ddh s HIS 67 N -2.04 -1.24 -0.00 0.00 -0.00 0.30 -1.20 115.29 111.12 1ddh s HIS 67 Ca 0.38 1.28 0.03 0.00 -0.00 0.00 0.00 55.06 56.74 1ddh s HIS 67 Cb -0.10 0.42 -0.03 0.00 -0.00 0.00 0.00 32.58 32.87 1ddh s HIS 67 CO 0.31 -0.68 -0.05 -0.08 -0.00 0.00 0.00 174.74 174.25 1ddh s THR 68 N 2.89 3.81 0.23 -5.38 -1.32 -0.84 -3.63 115.64 111.40 1ddh s THR 68 Ca 0.13 -0.71 -0.30 0.00 -1.21 0.00 0.00 61.69 59.60 1ddh s THR 68 Cb -0.13 -2.67 -0.09 0.00 -1.51 0.00 0.00 72.50 68.10 1ddh s THR 68 CO -0.18 0.39 1.24 -1.61 -2.21 0.00 0.00 174.62 172.26 1ddh s GLU 69 N -1.45 4.45 0.02 7.08 2.02 -1.26 -1.39 118.70 128.17 1ddh s GLU 69 Ca 0.18 1.99 -0.00 0.00 0.02 0.00 0.00 54.97 57.15 1ddh s GLU 69 Cb -0.11 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 30.93 1ddh s GLU 69 CO 0.08 -0.12 0.03 1.97 0.02 0.00 0.00 175.26 177.24 1ddh n PHE 70 N 2.11 -0.59 -3.67 1.61 -1.74 0.33 -4.92 117.46 110.59 1ddh n PHE 70 Ca 0.04 -0.14 -0.09 0.00 -0.56 0.00 0.00 57.45 56.70 1ddh n PHE 70 Cb 0.43 0.04 -0.10 0.00 1.52 0.00 0.00 39.48 41.38 1ddh n PHE 70 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1ddh s THR 71 N -2.54 -0.25 0.77 1.97 2.01 -1.26 0.70 115.64 117.04 1ddh s THR 71 Ca 0.02 0.10 -0.12 0.00 0.31 0.00 0.00 61.69 61.99 1ddh s THR 71 Cb -0.00 -0.70 0.06 0.00 0.01 0.00 0.00 72.50 71.86 1ddh s THR 71 CO 0.01 0.04 1.14 -2.84 -0.69 0.00 0.00 174.62 172.28 1ddh s PRO 72 N 1.86 2.28 0.29 4.92 0.02 -1.26 -4.93 135.00 138.19 1ddh s PRO 72 Ca -0.07 0.30 -0.20 0.00 0.02 0.00 0.00 61.00 61.04 1ddh s PRO 72 Cb -0.09 -1.97 0.04 0.00 0.02 0.00 0.00 34.50 32.50 1ddh s PRO 72 CO -0.14 -1.41 0.79 0.99 -0.33 0.00 0.00 177.00 176.90 1ddh s THR 73 N -3.45 0.00 0.01 0.99 2.01 -1.26 -2.24 115.64 111.70 1ddh s THR 73 Ca 0.60 -0.93 -0.20 0.00 0.31 0.00 0.00 61.69 61.47 1ddh s THR 73 Cb -0.11 -2.29 -0.20 0.00 0.01 0.00 0.00 72.50 69.91 1ddh s THR 73 CO 0.51 0.00 1.18 1.05 -0.69 0.00 0.00 174.62 176.66 1ddh h GLU 74 N 2.00 0.38 0.05 4.92 9.09 -1.99 -3.40 114.58 125.63 1ddh h GLU 74 Ca -0.24 -0.32 -0.00 0.00 0.05 0.00 0.00 59.36 58.85 1ddh h GLU 74 Cb 1.25 0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1ddh h GLU 74 CO 0.29 0.97 -0.02 1.79 0.05 0.00 0.00 179.01 182.08 1ddh h THR 75 N -0.10 0.00 -0.06 -1.06 1.35 -2.02 -3.45 112.91 107.56 1ddh h THR 75 Ca -0.03 -0.13 -0.53 0.00 -0.55 0.00 0.00 66.41 65.17 1ddh h THR 75 Cb 1.06 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.45 1ddh h THR 75 CO 0.08 0.00 0.87 0.47 -0.25 0.00 0.00 175.52 176.69 1ddh n ASP 76 N -2.53 0.54 -4.69 5.36 8.00 -1.26 -4.89 116.55 117.08 1ddh n ASP 76 Ca -0.01 0.50 -0.38 0.00 0.71 0.00 0.00 54.79 55.61 1ddh n ASP 76 Cb 0.03 -0.62 -0.07 0.00 -0.02 0.00 0.00 41.12 40.44 1ddh n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ddh s THR 77 N 3.94 5.18 0.02 -3.53 2.01 -1.26 -4.71 115.64 117.29 1ddh s THR 77 Ca 0.81 0.85 0.07 0.00 0.31 0.00 0.00 61.69 63.74 1ddh s THR 77 Cb -1.03 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 67.67 1ddh s THR 77 CO 0.46 0.27 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.15 1ddh s TYR 78 N 1.10 2.51 0.27 4.92 1.51 -1.26 0.32 117.35 126.72 1ddh s TYR 78 Ca 0.23 -0.29 -0.13 0.00 -1.01 0.00 0.00 57.07 55.86 1ddh s TYR 78 Cb -0.15 -1.48 0.00 0.00 -0.11 0.00 0.00 41.96 40.23 1ddh s TYR 78 CO 0.09 0.18 0.54 0.00 -1.11 0.00 0.00 175.55 175.25 1ddh s ALA 79 N -0.84 -0.32 -0.17 3.71 0.00 -0.44 0.45 121.76 124.15 1ddh s ALA 79 Ca 0.13 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 1ddh s ALA 79 Cb -0.10 1.02 0.06 0.00 0.00 0.00 0.00 23.12 24.09 1ddh s ALA 79 CO 0.03 -0.89 0.06 0.00 0.00 0.00 0.00 175.76 174.96 1ddh s ARG 81 N 1.99 4.14 -0.17 0.00 3.52 0.33 -1.60 118.95 127.16 1ddh s ARG 81 Ca 0.01 0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 56.19 1ddh s ARG 81 Cb -0.16 -3.63 -0.00 0.00 -1.56 0.00 0.00 34.95 29.59 1ddh s ARG 81 CO -0.08 -0.38 -0.12 0.08 -0.81 0.00 0.00 175.30 173.98 1ddh s VAL 82 N 2.39 2.83 -0.21 7.11 1.01 0.42 -0.32 120.40 133.63 1ddh s VAL 82 Ca 0.27 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1ddh s VAL 82 Cb -0.16 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1ddh s VAL 82 CO 0.09 0.49 -0.03 -0.54 0.00 0.00 0.00 175.10 175.11 1ddh s LYS 83 N 1.01 3.45 0.05 2.72 1.02 0.23 -1.48 119.74 126.74 1ddh s LYS 83 Ca -0.01 -0.60 -0.06 0.00 0.02 0.00 0.00 55.97 55.32 1ddh s LYS 83 Cb -0.15 -3.02 -0.01 0.00 -0.52 0.00 0.00 37.83 34.13 1ddh s LYS 83 CO -0.02 -0.12 0.10 -1.58 -0.92 0.00 0.00 175.35 172.81 1ddh s HIS 84 N 1.30 0.22 0.12 3.18 2.46 -1.26 -0.85 115.29 120.45 1ddh s HIS 84 Ca 0.04 -0.57 -0.27 0.00 0.47 0.00 0.00 55.06 54.72 1ddh s HIS 84 Cb -0.14 -0.15 -0.08 0.00 -0.13 0.00 0.00 32.58 32.08 1ddh s HIS 84 CO -0.01 -0.40 1.63 0.00 -2.47 0.00 0.00 174.74 173.48 1ddh h ALA 85 N 3.42 -0.48 -0.11 1.58 0.00 -1.90 -2.70 119.26 119.07 1ddh h ALA 85 Ca -0.33 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.57 1ddh h ALA 85 Cb 1.18 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1ddh h ALA 85 CO 0.53 -0.83 0.58 0.66 0.00 0.00 0.00 179.25 180.19 1ddh h SER 86 N -0.50 0.00 -3.18 0.00 4.64 -1.81 -3.41 113.55 109.29 1ddh h SER 86 Ca 0.04 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.72 1ddh h SER 86 Cb 0.54 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.50 1ddh h SER 86 CO -0.19 0.00 -0.70 0.00 -0.87 0.00 0.00 176.83 175.06 1ddh s MET 87 N -4.15 2.23 0.39 4.77 0.00 -1.02 -4.87 119.30 116.66 1ddh s MET 87 Ca -0.02 -1.10 0.21 0.00 0.00 0.00 0.00 55.69 54.78 1ddh s MET 87 Cb 0.07 -2.31 0.42 0.00 0.00 0.00 0.00 34.83 33.02 1ddh s MET 87 CO 0.24 0.48 1.62 0.00 0.00 0.00 0.00 175.02 177.35 1ddh h ALA 88 N 3.12 0.88 -2.49 3.16 0.00 -1.82 -3.44 119.26 118.67 1ddh h ALA 88 Ca -0.48 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.12 1ddh h ALA 88 Cb 1.19 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.75 1ddh h ALA 88 CO 0.55 0.28 -0.25 -1.83 0.00 0.00 0.00 179.25 178.01 1ddh s GLU 89 N -3.23 0.71 -0.18 0.00 1.03 -1.26 -5.09 118.70 110.67 1ddh s GLU 89 Ca 0.04 -0.22 -0.29 0.00 0.03 0.00 0.00 54.97 54.53 1ddh s GLU 89 Cb 0.07 0.32 -0.06 0.00 -0.80 0.00 0.00 34.13 33.65 1ddh s GLU 89 CO 0.68 -0.20 2.17 -0.35 -1.33 0.00 0.00 175.26 176.23 1ddh n PRO 90 N 1.14 2.05 -2.78 -4.83 -0.04 -1.26 -4.84 135.00 124.43 1ddh n PRO 90 Ca -0.21 0.61 -0.41 0.00 -0.04 0.00 0.00 63.50 63.44 1ddh n PRO 90 Cb 0.57 -3.13 -0.03 0.00 -0.04 0.00 0.00 33.50 30.87 1ddh n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ddh s LYS 91 N 5.99 4.53 -0.12 0.54 2.20 -0.55 -4.85 119.74 127.48 1ddh s LYS 91 Ca 0.99 1.30 -0.04 0.00 -0.36 0.00 0.00 55.97 57.87 1ddh s LYS 91 Cb -0.40 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.43 1ddh s LYS 91 CO 0.38 -0.02 0.01 -0.08 -0.36 0.00 0.00 175.35 175.28 1ddh s THR 92 N 0.96 4.37 -0.13 3.43 -1.32 -1.26 -0.44 115.64 121.25 1ddh s THR 92 Ca 0.49 -0.21 0.01 0.00 -1.21 0.00 0.00 61.69 60.77 1ddh s THR 92 Cb -0.20 -2.88 0.02 0.00 -1.51 0.00 0.00 72.50 67.92 1ddh s THR 92 CO 0.26 0.55 -0.14 -0.69 -2.21 0.00 0.00 174.62 172.39 1ddh s VAL 93 N -0.38 1.51 0.53 5.08 1.01 -0.63 -4.95 120.40 122.57 1ddh s VAL 93 Ca 0.08 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 1ddh s VAL 93 Cb -0.12 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1ddh s VAL 93 CO 0.02 0.45 0.90 -0.31 0.00 0.00 0.00 175.10 176.15 1ddh s TYR 94 N 1.27 3.58 0.04 5.22 1.51 -1.26 0.77 117.35 128.47 1ddh s TYR 94 Ca -0.00 1.07 -0.27 0.00 -1.01 0.00 0.00 57.07 56.86 1ddh s TYR 94 Cb -0.14 -2.52 -0.05 0.00 -0.11 0.00 0.00 41.96 39.15 1ddh s TYR 94 CO -0.06 -0.44 0.84 -0.46 -1.11 0.00 0.00 175.55 174.31 1ddh s TRP 95 N -2.88 3.73 -0.30 2.71 -0.00 0.17 -4.79 118.94 117.57 1ddh s TRP 95 Ca 0.52 1.56 -0.03 0.00 -0.00 0.00 0.00 56.10 58.14 1ddh s TRP 95 Cb -0.11 -2.92 0.11 0.00 -0.00 0.00 0.00 33.47 30.55 1ddh s TRP 95 CO 0.47 0.19 0.15 0.34 -0.00 0.00 0.00 176.95 178.10 1ddh s ASP 96 N 0.21 3.33 0.04 5.86 2.15 -1.26 -4.86 116.67 122.14 1ddh s ASP 96 Ca 0.42 -1.36 -0.30 0.00 0.43 0.00 0.00 52.55 51.74 1ddh s ASP 96 Cb -0.21 -0.29 -0.17 0.00 -0.30 0.00 0.00 42.92 41.95 1ddh s ASP 96 CO 0.25 -0.42 1.37 0.03 -0.17 0.00 0.00 175.17 176.23 1ddh h ARG 97 N 8.23 -1.05 -5.34 4.34 3.08 -1.96 -3.41 114.38 118.27 1ddh h ARG 97 Ca -0.16 0.07 -0.42 0.00 0.07 0.00 0.00 59.98 59.54 1ddh h ARG 97 Cb 1.01 0.24 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 1ddh h ARG 97 CO 0.41 -0.70 1.54 -0.25 -1.07 0.00 0.00 179.97 179.90 1ddh n ASP 98 N -5.12 1.36 0.00 7.04 8.00 -1.26 -5.14 116.55 121.43 1ddh n ASP 98 Ca -0.14 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 54.97 1ddh n ASP 98 Cb 0.43 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 1ddh n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04