#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddk s SER 3 N 0.00 3.56 -0.06 -1.84 0.01 -1.26 -5.10 113.70 109.01 1ddk s SER 3 Ca 0.00 -2.31 0.01 0.00 1.31 0.00 0.00 55.95 54.96 1ddk s SER 3 Cb 0.00 -0.84 0.02 0.00 0.21 0.00 0.00 66.02 65.41 1ddk s SER 3 CO 0.00 -0.31 -0.08 -0.22 0.41 0.00 0.00 173.24 173.04 1ddk s LEU 4 N 0.79 1.44 0.47 2.44 2.96 -1.26 -5.12 118.68 120.40 1ddk s LEU 4 Ca 0.16 -0.23 -0.19 0.00 -0.22 0.00 0.00 54.13 53.65 1ddk s LEU 4 Cb -0.23 -0.68 -0.14 0.00 0.50 0.00 0.00 46.19 45.64 1ddk s LEU 4 CO -0.05 -0.03 0.09 -2.65 -1.32 0.00 0.00 176.35 172.39 1ddk n PRO 5 N 4.09 0.12 -3.20 0.98 -0.02 -1.26 -4.93 135.00 130.77 1ddk n PRO 5 Ca -0.22 0.04 -0.29 0.00 -2.02 0.00 0.00 63.50 61.01 1ddk n PRO 5 Cb 0.51 -1.14 -0.03 0.00 -0.02 0.00 0.00 33.50 32.82 1ddk n PRO 5 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ddk s ASP 6 N -1.02 6.49 0.12 2.55 1.11 -1.26 -4.63 116.67 120.03 1ddk s ASP 6 Ca 0.60 0.86 -0.35 0.00 0.18 0.00 0.00 52.55 53.84 1ddk s ASP 6 Cb -0.54 -2.21 -0.17 0.00 1.07 0.00 0.00 42.92 41.07 1ddk s ASP 6 CO 0.63 -0.24 1.09 -0.11 1.18 0.00 0.00 175.17 177.71 1ddk n LEU 7 N -0.96 0.81 -4.26 1.23 7.94 -1.26 -4.94 117.00 115.56 1ddk n LEU 7 Ca -0.00 1.14 -0.31 0.00 -1.11 0.00 0.00 56.01 55.73 1ddk n LEU 7 Cb 0.54 -1.10 -0.16 0.00 0.53 0.00 0.00 43.42 43.22 1ddk n LEU 7 CO 0.47 -1.62 -0.56 -0.54 -1.11 0.00 0.00 177.39 174.03 1ddk s LYS 8 N -0.21 2.46 -0.29 1.96 1.02 -0.34 -4.99 119.74 119.35 1ddk s LYS 8 Ca 0.78 -0.88 0.03 0.00 0.02 0.00 0.00 55.97 55.92 1ddk s LYS 8 Cb -0.99 -2.10 0.08 0.00 -0.52 0.00 0.00 37.83 34.30 1ddk s LYS 8 CO 0.53 0.38 -0.01 0.42 -0.92 0.00 0.00 175.35 175.75 1ddk s ILE 9 N -0.18 1.95 0.06 2.17 1.01 -1.26 -0.62 121.20 124.34 1ddk s ILE 9 Ca -0.03 -1.81 0.06 0.00 0.00 0.00 0.00 60.65 58.87 1ddk s ILE 9 Cb -0.13 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1ddk s ILE 9 CO 0.03 -0.33 -0.12 -1.61 0.00 0.00 0.00 174.94 172.91 1ddk s GLU 10 N 1.13 2.21 0.17 2.79 2.02 0.07 -4.96 118.70 122.14 1ddk s GLU 10 Ca 0.01 -0.94 -0.30 0.00 0.02 0.00 0.00 54.97 53.77 1ddk s GLU 10 Cb -0.19 -2.31 -0.08 0.00 0.10 0.00 0.00 34.13 31.65 1ddk s GLU 10 CO -0.08 0.54 1.13 0.21 0.02 0.00 0.00 175.26 177.07 1ddk s LYS 11 N -1.76 4.56 -0.16 1.61 2.20 -1.26 0.11 119.74 125.04 1ddk s LYS 11 Ca 0.18 1.76 -0.03 0.00 -0.36 0.00 0.00 55.97 57.51 1ddk s LYS 11 Cb -0.11 -3.27 -0.08 0.00 -1.51 0.00 0.00 37.83 32.86 1ddk s LYS 11 CO 0.09 0.02 -0.17 -0.11 -0.36 0.00 0.00 175.35 174.82 1ddk n LEU 12 N 2.46 2.08 0.00 5.43 7.94 0.21 -4.81 117.00 130.30 1ddk n LEU 12 Ca 0.03 0.06 -0.06 0.00 -1.11 0.00 0.00 56.01 54.92 1ddk n LEU 12 Cb 0.46 -0.50 0.02 0.00 0.53 0.00 0.00 43.42 43.93 1ddk n LEU 12 CO 0.54 0.55 0.49 -0.67 -1.11 0.00 0.00 177.39 177.20 1ddk n ASP 13 N -3.33 -1.83 0.00 1.96 2.03 -0.88 -4.98 116.55 109.52 1ddk n ASP 13 Ca -0.29 -2.21 0.00 0.00 0.52 0.00 0.00 54.79 52.80 1ddk n ASP 13 Cb 0.76 3.03 0.00 0.00 -0.72 0.00 0.00 41.12 44.19 1ddk n ASP 13 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ddk n GLU 14 N -0.48 0.00 -0.55 -0.67 -0.58 -1.26 -0.48 120.64 116.63 1ddk n GLU 14 Ca -0.06 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.70 1ddk n GLU 14 Cb 0.49 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.40 1ddk n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ddk n GLY 15 N -0.55 1.61 3.41 0.62 0.00 -1.26 -5.03 105.19 103.99 1ddk n GLY 15 Ca 0.00 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 1ddk n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddk s VAL 16 N -0.69 3.69 0.02 1.61 0.11 0.37 0.43 120.40 125.94 1ddk s VAL 16 Ca 0.12 -0.41 0.06 0.00 -2.93 0.00 0.00 61.98 58.82 1ddk s VAL 16 Cb 0.12 -2.65 -0.03 0.00 -1.53 0.00 0.00 36.38 32.29 1ddk s VAL 16 CO -0.02 0.45 -0.15 -0.31 -3.33 0.00 0.00 175.10 171.74 1ddk s TYR 17 N 0.96 2.65 -0.28 1.54 1.51 0.15 0.65 117.35 124.53 1ddk s TYR 17 Ca 0.00 -0.20 -0.10 0.00 -1.01 0.00 0.00 57.07 55.77 1ddk s TYR 17 Cb -0.15 -1.52 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 1ddk s TYR 17 CO 0.01 0.26 0.14 0.08 -1.11 0.00 0.00 175.55 174.94 1ddk s VAL 18 N -0.91 4.82 -0.11 0.71 1.01 0.12 -1.15 120.40 124.88 1ddk s VAL 18 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 1ddk s VAL 18 Cb -0.11 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1ddk s VAL 18 CO 0.05 0.23 -0.04 -1.38 0.00 0.00 0.00 175.10 173.97 1ddk s HIS 19 N 1.68 3.02 -0.08 5.22 -3.43 -0.74 -0.75 115.29 120.21 1ddk s HIS 19 Ca 0.06 -0.10 0.04 0.00 -0.80 0.00 0.00 55.06 54.26 1ddk s HIS 19 Cb -0.16 -1.85 0.00 0.00 -1.43 0.00 0.00 32.58 29.15 1ddk s HIS 19 CO 0.07 0.18 -0.19 0.99 -2.00 0.00 0.00 174.74 173.79 1ddk s THR 20 N -0.25 1.66 0.27 -5.38 2.01 0.21 -0.36 115.64 113.80 1ddk s THR 20 Ca 0.04 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.30 1ddk s THR 20 Cb -0.13 -1.45 -0.06 0.00 0.01 0.00 0.00 72.50 70.87 1ddk s THR 20 CO 0.02 0.47 -0.04 -0.94 -0.69 0.00 0.00 174.62 173.45 1ddk s SER 21 N 0.39 2.55 0.27 3.53 1.04 -1.00 -1.19 113.70 119.29 1ddk s SER 21 Ca -0.15 -1.21 0.07 0.00 0.48 0.00 0.00 55.95 55.13 1ddk s SER 21 Cb -0.16 -0.13 -0.06 0.00 0.10 0.00 0.00 66.02 65.77 1ddk s SER 21 CO 0.06 -0.40 -0.06 -0.36 0.98 0.00 0.00 173.24 173.46 1ddk s PHE 22 N -3.12 1.92 -0.29 5.02 0.40 -1.26 -0.83 117.98 119.82 1ddk s PHE 22 Ca 0.30 -0.70 -0.20 0.00 -0.60 0.00 0.00 56.93 55.73 1ddk s PHE 22 Cb 0.05 -1.08 0.13 0.00 0.51 0.00 0.00 43.02 42.63 1ddk s PHE 22 CO 0.12 0.27 0.98 -2.00 0.70 0.00 0.00 175.22 175.29 1ddk s GLU 23 N -3.73 0.46 -0.39 0.44 2.56 -1.16 -4.87 118.70 112.00 1ddk s GLU 23 Ca 0.29 0.67 -0.27 0.00 0.00 0.00 0.00 54.97 55.65 1ddk s GLU 23 Cb 0.03 0.16 0.02 0.00 2.00 0.00 0.00 34.13 36.34 1ddk s GLU 23 CO 0.11 -0.07 1.02 -2.00 -0.56 0.00 0.00 175.26 173.76 1ddk s GLU 24 N 0.84 3.84 0.00 4.30 2.12 -1.26 -2.07 118.70 126.46 1ddk s GLU 24 Ca -0.03 0.66 0.00 0.00 0.36 0.00 0.00 54.97 55.95 1ddk s GLU 24 Cb -0.04 -3.83 0.00 0.00 0.26 0.00 0.00 34.13 30.52 1ddk s GLU 24 CO -0.11 -1.08 0.00 1.33 -0.54 0.00 0.00 175.26 174.86 1ddk n VAL 25 N 6.22 0.00 -2.40 3.70 0.24 -1.19 -4.99 118.33 119.90 1ddk n VAL 25 Ca 0.09 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.99 1ddk n VAL 25 Cb 0.48 -0.06 0.03 0.00 -1.47 0.00 0.00 33.84 32.82 1ddk n VAL 25 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ddk n ASN 26 N -0.42 7.43 0.00 -1.34 5.03 -1.26 -4.53 115.26 120.16 1ddk n ASN 26 Ca 0.00 -3.74 0.00 0.00 0.87 0.00 0.00 54.58 51.71 1ddk n ASN 26 Cb 0.00 -1.14 0.00 0.00 -1.02 0.00 0.00 39.78 37.62 1ddk n ASN 26 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ddk n GLY 27 N -0.21 3.08 0.63 7.41 0.00 -1.26 -4.88 105.19 109.95 1ddk n GLY 27 Ca 0.49 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1ddk n GLY 27 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1ddk n TRP 28 N 0.00 0.15 0.00 1.61 4.27 -1.26 -4.92 117.44 117.28 1ddk n TRP 28 Ca 0.00 -0.09 0.00 0.00 -3.89 0.00 0.00 57.50 53.52 1ddk n TRP 28 Cb 0.00 -0.14 0.00 0.00 -1.36 0.00 0.00 31.31 29.81 1ddk n TRP 28 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1ddk n GLY 29 N 0.07 0.26 3.76 -1.67 0.00 -1.26 -5.07 105.19 101.27 1ddk n GLY 29 Ca 0.02 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 1ddk n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ddk s VAL 30 N 0.00 2.99 -0.12 1.61 1.01 -1.26 -3.18 120.40 121.44 1ddk s VAL 30 Ca 0.00 0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.38 1ddk s VAL 30 Cb 0.00 -2.96 0.06 0.00 0.00 0.00 0.00 36.38 33.48 1ddk s VAL 30 CO 0.00 -0.30 0.26 0.68 0.00 0.00 0.00 175.10 175.74 1ddk s VAL 31 N -2.31 -0.34 0.71 2.92 -7.23 -0.88 -4.93 120.40 108.35 1ddk s VAL 31 Ca 0.68 0.26 -0.13 0.00 -1.81 0.00 0.00 61.98 60.98 1ddk s VAL 31 Cb -0.22 -0.43 0.03 0.00 0.56 0.00 0.00 36.38 36.32 1ddk s VAL 31 CO 0.44 0.11 1.10 -2.16 -0.31 0.00 0.00 175.10 174.28 1ddk s PRO 32 N 2.20 2.56 -0.20 4.82 0.04 -1.26 -2.99 135.00 140.17 1ddk s PRO 32 Ca -0.01 1.26 -0.04 0.00 0.04 0.00 0.00 61.00 62.25 1ddk s PRO 32 Cb -0.12 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.59 1ddk s PRO 32 CO -0.08 -1.42 0.33 0.21 0.04 0.00 0.00 177.00 176.08 1ddk s LYS 33 N -4.51 0.26 0.18 4.56 2.36 -0.01 -4.57 119.74 118.01 1ddk s LYS 33 Ca 0.64 0.66 -0.20 0.00 -2.55 0.00 0.00 55.97 54.51 1ddk s LYS 33 Cb -0.18 -0.29 -0.08 0.00 -1.05 0.00 0.00 37.83 36.23 1ddk s LYS 33 CO 0.49 -0.46 0.68 -1.01 1.55 0.00 0.00 175.35 176.60 1ddk s HIS 34 N 2.49 3.72 0.00 4.03 3.76 -0.85 -2.37 115.29 126.07 1ddk s HIS 34 Ca 0.05 1.37 0.00 0.00 -0.15 0.00 0.00 55.06 56.34 1ddk s HIS 34 Cb -0.14 -2.59 0.00 0.00 1.11 0.00 0.00 32.58 30.96 1ddk s HIS 34 CO -0.13 0.43 0.00 0.41 -0.85 0.00 0.00 174.74 174.60 1ddk n GLY 35 N 1.07 4.47 3.28 -2.22 0.00 0.51 -4.69 105.19 107.60 1ddk n GLY 35 Ca -0.05 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 1ddk n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ddk s LEU 36 N 0.00 0.69 -0.15 0.99 1.43 -0.48 -1.79 118.68 119.36 1ddk s LEU 36 Ca 0.00 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1ddk s LEU 36 Cb 0.00 1.51 0.02 0.00 0.03 0.00 0.00 46.19 47.75 1ddk s LEU 36 CO 0.00 -0.64 -0.15 -0.69 0.23 0.00 0.00 176.35 175.09 1ddk s VAL 37 N -2.56 1.65 -0.15 -1.59 1.01 -0.30 0.36 120.40 118.82 1ddk s VAL 37 Ca -0.05 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 1ddk s VAL 37 Cb -0.01 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1ddk s VAL 37 CO -0.03 0.47 -0.04 -0.69 0.00 0.00 0.00 175.10 174.81 1ddk s VAL 38 N 1.36 3.92 -0.23 2.92 1.01 -0.82 0.31 120.40 128.87 1ddk s VAL 38 Ca 0.03 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1ddk s VAL 38 Cb -0.13 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1ddk s VAL 38 CO -0.09 0.51 0.11 -0.76 0.00 0.00 0.00 175.10 174.86 1ddk s LEU 39 N 0.21 3.84 0.00 3.92 1.43 0.17 -1.04 118.68 127.21 1ddk s LEU 39 Ca -0.02 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1ddk s LEU 39 Cb -0.14 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1ddk s LEU 39 CO 0.03 0.07 0.00 0.52 0.23 0.00 0.00 176.35 177.20 1ddk n VAL 40 N 4.24 0.00 0.00 -1.59 0.31 0.33 -4.68 118.33 116.93 1ddk n VAL 40 Ca -0.16 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1ddk n VAL 40 Cb 0.52 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 1ddk n VAL 40 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ddk n ASN 41 N -0.97 0.00 -0.38 4.52 3.02 -1.26 -4.83 115.26 115.36 1ddk n ASN 41 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.64 1ddk n ASN 41 Cb 0.00 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.35 1ddk n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ddk n ALA 42 N -2.31 2.64 -3.92 5.41 0.00 -1.26 -4.96 120.51 116.11 1ddk n ALA 42 Ca 0.00 -2.61 -0.33 0.00 0.00 0.00 0.00 53.44 50.50 1ddk n ALA 42 Cb 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 19.45 18.80 1ddk n ALA 42 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ddk s GLU 43 N -2.91 3.03 0.15 0.00 2.02 -1.26 -1.59 118.70 118.15 1ddk s GLU 43 Ca 0.36 -0.82 -0.02 0.00 0.02 0.00 0.00 54.97 54.51 1ddk s GLU 43 Cb 0.31 -2.56 -0.05 0.00 0.10 0.00 0.00 34.13 31.94 1ddk s GLU 43 CO 0.04 -0.14 0.34 0.00 0.02 0.00 0.00 175.26 175.52 1ddk s ALA 44 N 1.13 3.86 -0.01 5.21 0.00 -0.33 -0.52 121.76 131.11 1ddk s ALA 44 Ca 0.01 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1ddk s ALA 44 Cb -0.14 -2.00 -0.00 0.00 0.00 0.00 0.00 23.12 20.98 1ddk s ALA 44 CO -0.09 0.60 -0.07 0.71 0.00 0.00 0.00 175.76 176.91 1ddk s TYR 45 N -1.72 0.69 -0.36 0.00 1.51 -0.20 -0.06 117.35 117.20 1ddk s TYR 45 Ca 0.38 -0.14 -0.16 0.00 -1.01 0.00 0.00 57.07 56.14 1ddk s TYR 45 Cb -0.12 -0.47 -0.00 0.00 -0.11 0.00 0.00 41.96 41.26 1ddk s TYR 45 CO 0.27 -0.04 0.42 -0.51 -1.11 0.00 0.00 175.55 174.58 1ddk s LEU 46 N -0.01 4.51 -0.76 -1.29 1.43 0.13 -1.94 118.68 120.75 1ddk s LEU 46 Ca 0.01 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 1ddk s LEU 46 Cb -0.05 -2.41 0.15 0.00 0.03 0.00 0.00 46.19 43.91 1ddk s LEU 46 CO -0.00 -0.43 0.82 -0.63 0.23 0.00 0.00 176.35 176.34 1ddk s ILE 47 N 2.15 5.10 0.00 -0.59 -1.09 0.16 -0.17 121.20 126.75 1ddk s ILE 47 Ca 0.14 -1.69 0.00 0.00 -2.23 0.00 0.00 60.65 56.87 1ddk s ILE 47 Cb -0.16 -4.55 0.00 0.00 -1.58 0.00 0.00 42.46 36.17 1ddk s ILE 47 CO 0.13 -1.17 0.00 0.47 -1.23 0.00 0.00 174.94 173.13 1ddk n ASP 48 N 5.50 0.00 -4.63 3.58 9.92 0.42 -1.39 116.55 129.95 1ddk n ASP 48 Ca 0.07 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.07 1ddk n ASP 48 Cb 0.46 0.86 -0.09 0.00 -0.64 0.00 0.00 41.12 41.70 1ddk n ASP 48 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1ddk s THR 49 N -3.82 2.37 1.18 -3.53 -4.23 -1.11 -4.55 115.64 101.93 1ddk s THR 49 Ca 0.00 -1.97 -0.18 0.00 -1.18 0.00 0.00 61.69 58.35 1ddk s THR 49 Cb 0.00 -2.85 0.27 0.00 1.34 0.00 0.00 72.50 71.27 1ddk s THR 49 CO 0.00 -0.12 1.11 -2.84 -0.54 0.00 0.00 174.62 172.22 1ddk s PRO 50 N -3.73 -1.01 0.42 3.99 0.02 -1.26 -4.08 135.00 129.36 1ddk s PRO 50 Ca 0.35 0.02 0.20 0.00 0.02 0.00 0.00 61.00 61.59 1ddk s PRO 50 Cb 0.03 -1.61 0.94 0.00 0.02 0.00 0.00 34.50 33.88 1ddk s PRO 50 CO 0.19 -3.59 1.87 0.74 -0.33 0.00 0.00 177.00 175.88 1ddk h PHE 51 N -2.49 0.00 -2.87 6.54 -1.00 -1.83 -3.02 116.94 112.27 1ddk h PHE 51 Ca -0.47 0.00 -0.50 0.00 2.81 0.00 0.00 57.97 59.81 1ddk h PHE 51 Cb 1.30 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.72 1ddk h PHE 51 CO -1.76 0.28 -0.56 0.95 -1.61 0.00 0.00 178.31 175.61 1ddk s THR 52 N -3.95 0.79 0.07 -1.55 -4.23 -1.26 -4.37 115.64 101.13 1ddk s THR 52 Ca -0.02 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.36 1ddk s THR 52 Cb 0.13 -2.54 -0.25 0.00 1.34 0.00 0.00 72.50 71.18 1ddk s THR 52 CO 0.66 0.00 1.17 0.00 -0.54 0.00 0.00 174.62 175.91 1ddk h ALA 53 N 1.98 0.10 -0.27 3.99 0.00 -1.90 -1.29 119.26 121.86 1ddk h ALA 53 Ca -0.37 -0.72 0.06 0.00 0.00 0.00 0.00 54.91 53.88 1ddk h ALA 53 Cb 1.26 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 1ddk h ALA 53 CO 0.61 0.69 -0.10 -0.22 0.00 0.00 0.00 179.25 180.23 1ddk h LYS 54 N 0.36 -0.05 -0.17 0.00 3.64 -1.97 2.98 116.57 121.36 1ddk h LYS 54 Ca -0.15 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.08 1ddk h LYS 54 Cb 1.76 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 1ddk h LYS 54 CO 0.21 -0.04 -0.57 -0.44 -2.27 0.00 0.00 179.45 176.35 1ddk h ASP 55 N -0.05 0.60 0.35 4.20 3.45 -1.97 -0.46 116.42 122.53 1ddk h ASP 55 Ca 0.14 -0.33 -0.13 0.00 0.43 0.00 0.00 57.03 57.14 1ddk h ASP 55 Cb 0.26 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 1ddk h ASP 55 CO -0.31 1.04 -0.55 0.74 -1.57 0.00 0.00 179.24 178.59 1ddk h THR 56 N 0.40 1.37 -0.11 0.35 2.02 -0.20 -0.96 112.91 115.78 1ddk h THR 56 Ca 0.00 -1.86 -0.10 0.00 0.77 0.00 0.00 66.41 65.22 1ddk h THR 56 Cb 1.12 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1ddk h THR 56 CO 0.11 0.55 -0.34 -0.08 0.37 0.00 0.00 175.52 176.13 1ddk h GLU 57 N 0.16 0.42 -0.02 6.66 4.57 0.55 -2.49 114.58 124.43 1ddk h GLU 57 Ca 0.00 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 1ddk h GLU 57 Cb 1.02 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1ddk h GLU 57 CO 0.08 0.93 0.01 0.87 -1.18 0.00 0.00 179.01 179.73 1ddk h LYS 58 N -0.00 0.03 0.04 1.92 1.57 -1.00 -2.15 116.57 116.97 1ddk h LYS 58 Ca -0.01 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1ddk h LYS 58 Cb 0.96 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.22 1ddk h LYS 58 CO 0.07 0.02 -0.26 1.25 -0.57 0.00 0.00 179.45 179.96 1ddk h LEU 59 N 0.03 -0.77 0.03 2.94 5.85 -1.23 -0.43 115.31 121.73 1ddk h LEU 59 Ca 0.01 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1ddk h LEU 59 Cb 0.00 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1ddk h LEU 59 CO -0.00 -0.34 -0.38 0.58 -0.34 0.00 0.00 178.44 177.96 1ddk h VAL 60 N -0.43 0.22 -0.89 1.05 2.07 -1.32 -2.71 116.25 114.25 1ddk h VAL 60 Ca 0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1ddk h VAL 60 Cb 0.49 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1ddk h VAL 60 CO -0.21 0.00 0.59 0.71 0.02 0.00 0.00 177.57 178.68 1ddk h THR 61 N -0.55 1.23 -0.88 2.57 1.35 -1.22 0.24 112.91 115.64 1ddk h THR 61 Ca 0.05 -0.41 0.18 0.00 -0.55 0.00 0.00 66.41 65.67 1ddk h THR 61 Cb 0.62 -0.08 -0.07 0.00 -1.73 0.00 0.00 68.15 66.89 1ddk h THR 61 CO -0.28 0.22 0.58 -0.25 -0.25 0.00 0.00 175.52 175.54 1ddk h TRP 62 N 1.20 0.63 0.13 4.73 7.01 -0.76 0.53 115.95 129.43 1ddk h TRP 62 Ca 0.33 0.02 -0.30 0.00 2.11 0.00 0.00 58.89 61.04 1ddk h TRP 62 Cb -0.13 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 26.73 1ddk h TRP 62 CO -0.01 0.20 -1.48 0.74 -2.79 0.00 0.00 178.44 175.09 1ddk h PHE 63 N 0.50 0.51 0.00 2.65 -1.00 -1.02 -3.21 116.94 115.36 1ddk h PHE 63 Ca 0.45 -0.37 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 1ddk h PHE 63 Cb 0.98 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.52 1ddk h PHE 63 CO -0.00 1.39 -0.26 0.28 -1.61 0.00 0.00 178.31 178.11 1ddk h VAL 64 N 0.08 1.10 -0.00 -0.55 2.07 0.34 -2.25 116.25 117.03 1ddk h VAL 64 Ca -0.23 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1ddk h VAL 64 Cb 2.02 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1ddk h VAL 64 CO 0.18 0.25 0.00 -0.08 0.02 0.00 0.00 177.57 177.94 1ddk h GLU 65 N 0.00 0.01 -1.00 1.57 4.57 -0.06 -2.25 114.58 117.42 1ddk h GLU 65 Ca -0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ddk h GLU 65 Cb 0.48 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1ddk h GLU 65 CO 0.03 0.16 0.00 0.54 -1.18 0.00 0.00 179.01 178.56 1ddk n ARG 66 N -5.01 0.99 -3.33 1.92 1.74 -1.00 -4.84 116.66 107.13 1ddk n ARG 66 Ca -0.07 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.85 1ddk n ARG 66 Cb 0.10 -1.18 0.08 0.00 -1.02 0.00 0.00 32.46 30.45 1ddk n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ddk n GLY 67 N 0.33 -0.52 2.96 -0.13 0.00 -0.84 -5.04 105.19 101.95 1ddk n GLY 67 Ca 0.00 0.20 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1ddk n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ddk s TYR 68 N -3.35 1.03 0.04 1.61 2.02 -0.88 -4.95 117.35 112.86 1ddk s TYR 68 Ca 0.11 -0.32 -0.21 0.00 -0.37 0.00 0.00 57.07 56.28 1ddk s TYR 68 Cb -0.01 -0.80 -0.06 0.00 -0.40 0.00 0.00 41.96 40.69 1ddk s TYR 68 CO 0.70 -0.20 0.62 -1.59 -1.57 0.00 0.00 175.55 173.51 1ddk s LYS 69 N 0.66 4.32 -0.47 -0.62 0.00 -0.62 -3.59 119.74 119.42 1ddk s LYS 69 Ca -0.11 0.80 -0.27 0.00 0.00 0.00 0.00 55.97 56.39 1ddk s LYS 69 Cb -0.14 -3.31 0.03 0.00 0.00 0.00 0.00 37.83 34.42 1ddk s LYS 69 CO 0.02 0.46 1.03 0.42 0.00 0.00 0.00 175.35 177.27 1ddk s ILE 70 N -0.53 4.35 -0.25 3.79 1.09 -1.26 -1.18 121.20 127.20 1ddk s ILE 70 Ca 0.31 0.98 0.21 0.00 -1.10 0.00 0.00 60.65 61.05 1ddk s ILE 70 Cb -0.19 -4.52 0.23 0.00 -1.06 0.00 0.00 42.46 36.93 1ddk s ILE 70 CO 0.19 -0.92 1.60 0.50 -0.10 0.00 0.00 174.94 176.21 1ddk h LYS 71 N 9.14 0.00 0.00 2.79 1.63 -0.81 -3.46 116.57 125.86 1ddk h LYS 71 Ca -0.24 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 1ddk h LYS 71 Cb 1.07 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1ddk h LYS 71 CO 1.08 0.20 0.00 0.41 -3.45 0.00 0.00 179.45 177.69 1ddk n GLY 72 N 0.99 0.58 3.25 5.01 0.00 -1.24 -4.34 105.19 109.43 1ddk n GLY 72 Ca 0.03 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.68 1ddk n GLY 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ddk s SER 73 N 0.00 1.62 -0.06 1.61 1.04 -0.70 0.18 113.70 117.39 1ddk s SER 73 Ca 0.00 -1.07 -0.02 0.00 0.48 0.00 0.00 55.95 55.33 1ddk s SER 73 Cb 0.00 0.03 0.04 0.00 0.10 0.00 0.00 66.02 66.18 1ddk s SER 73 CO 0.00 -0.42 0.12 -0.51 0.98 0.00 0.00 173.24 173.42 1ddk s ILE 74 N -3.44 -0.06 -0.15 -1.02 2.07 0.76 -0.14 121.20 119.23 1ddk s ILE 74 Ca 0.19 0.19 -0.07 0.00 -1.41 0.00 0.00 60.65 59.55 1ddk s ILE 74 Cb 0.04 -0.21 -0.04 0.00 0.13 0.00 0.00 42.46 42.38 1ddk s ILE 74 CO 0.02 0.08 0.11 -0.44 -1.91 0.00 0.00 174.94 172.80 1ddk s SER 75 N 1.18 6.10 0.19 4.50 0.01 -0.88 -0.44 113.70 124.36 1ddk s SER 75 Ca -0.09 0.31 -0.07 0.00 1.31 0.00 0.00 55.95 57.41 1ddk s SER 75 Cb -0.12 -2.00 0.10 0.00 0.21 0.00 0.00 66.02 64.21 1ddk s SER 75 CO -0.05 0.30 1.58 0.77 0.41 0.00 0.00 173.24 176.25 1ddk h SER 76 N 5.76 0.89 -5.21 2.44 4.64 -1.89 -3.41 113.55 116.77 1ddk h SER 76 Ca -0.48 -0.34 -0.06 0.00 -0.47 0.00 0.00 61.79 60.44 1ddk h SER 76 Cb 1.19 -0.24 -0.10 0.00 -0.31 0.00 0.00 62.40 62.94 1ddk h SER 76 CO 0.65 1.09 -0.12 -1.38 -0.87 0.00 0.00 176.83 176.20 1ddk s HIS 77 N -4.58 0.25 -0.17 4.77 -3.43 -1.26 0.20 115.29 111.08 1ddk s HIS 77 Ca -0.10 -0.61 0.28 0.00 -0.80 0.00 0.00 55.06 53.83 1ddk s HIS 77 Cb 0.12 0.19 1.25 0.00 -1.43 0.00 0.00 32.58 32.72 1ddk s HIS 77 CO 0.85 -0.92 1.84 0.27 -2.00 0.00 0.00 174.74 174.79 1ddk h PHE 78 N 2.30 0.00 -3.34 0.38 -0.00 -1.91 -3.41 116.94 110.97 1ddk h PHE 78 Ca -0.28 0.00 -0.44 0.00 -0.00 0.00 0.00 57.97 57.25 1ddk h PHE 78 Cb 1.25 0.00 0.21 0.00 -0.00 0.00 0.00 35.95 37.41 1ddk h PHE 78 CO 0.39 0.00 0.03 -1.01 -0.00 0.00 0.00 178.31 177.71 1ddk s HIS 79 N -3.53 1.36 0.20 6.09 3.76 -1.26 -4.67 115.29 117.24 1ddk s HIS 79 Ca 0.02 1.23 -0.03 0.00 -0.15 0.00 0.00 55.06 56.12 1ddk s HIS 79 Cb 0.09 -3.12 0.15 0.00 1.11 0.00 0.00 32.58 30.82 1ddk s HIS 79 CO 0.41 -3.82 1.55 0.77 -0.85 0.00 0.00 174.74 172.80 1ddk h SER 80 N -2.59 0.65 0.01 1.40 0.02 -1.95 -1.74 113.55 109.35 1ddk h SER 80 Ca -0.60 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 1ddk h SER 80 Cb 1.33 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1ddk h SER 80 CO 0.50 1.01 0.00 -0.90 -1.14 0.00 0.00 176.83 176.29 1ddk n ASP 81 N -4.01 0.00 0.00 3.07 5.75 -1.26 -2.57 116.55 117.53 1ddk n ASP 81 Ca -0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 1ddk n ASP 81 Cb 0.55 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1ddk n ASP 81 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1ddk n SER 82 N -1.05 2.05 0.00 -1.12 7.64 -1.08 -4.48 113.62 115.58 1ddk n SER 82 Ca 0.02 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1ddk n SER 82 Cb 0.01 0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1ddk n SER 82 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ddk n THR 83 N -0.74 0.00 -0.22 0.44 -2.24 -0.68 -2.77 114.28 108.07 1ddk n THR 83 Ca 0.00 -0.48 0.03 0.00 -2.27 0.00 0.00 64.05 61.33 1ddk n THR 83 Cb 0.00 1.01 0.14 0.00 -2.10 0.00 0.00 70.33 69.39 1ddk n THR 83 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1ddk h GLY 84 N 0.00 0.90 0.08 3.38 0.00 -1.64 -1.64 103.07 104.15 1ddk h GLY 84 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1ddk h GLY 84 CO 0.00 -0.13 0.00 0.61 0.00 0.00 0.00 176.54 177.02 1ddk n GLY 85 N -1.33 -0.67 0.07 4.60 0.00 -1.14 -3.81 105.19 102.91 1ddk n GLY 85 Ca 0.11 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1ddk n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ddk h ILE 86 N 0.50 1.20 -0.12 -0.61 2.04 -1.63 -1.90 117.51 116.99 1ddk h ILE 86 Ca 0.00 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.26 1ddk h ILE 86 Cb 0.11 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1ddk h ILE 86 CO 0.00 0.17 -0.15 -0.08 0.00 0.00 0.00 178.15 178.09 1ddk h GLU 87 N -0.12 -0.10 -0.80 2.37 4.81 -1.75 0.26 114.58 119.26 1ddk h GLU 87 Ca 0.02 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.40 1ddk h GLU 87 Cb 0.26 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 29.52 1ddk h GLU 87 CO 0.00 -0.06 -0.29 2.35 -0.73 0.00 0.00 179.01 180.28 1ddk h TRP 88 N -0.10 -0.75 -0.70 0.92 7.01 -1.80 -0.44 115.95 120.10 1ddk h TRP 88 Ca 0.02 0.08 0.10 0.00 2.11 0.00 0.00 58.89 61.20 1ddk h TRP 88 Cb 0.16 0.45 -0.07 0.00 -2.10 0.00 0.00 29.16 27.59 1ddk h TRP 88 CO -0.66 -0.38 0.33 -0.07 -2.79 0.00 0.00 178.44 174.88 1ddk h LEU 89 N -0.05 0.40 -1.48 0.65 3.38 -0.13 -2.69 115.31 115.39 1ddk h LEU 89 Ca 0.34 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.38 1ddk h LEU 89 Cb 0.59 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1ddk h LEU 89 CO -0.83 0.22 0.35 0.78 0.09 0.00 0.00 178.44 179.05 1ddk h ASN 90 N 0.55 0.60 0.42 -0.43 -0.26 0.12 -2.01 115.58 114.58 1ddk h ASN 90 Ca 0.35 -0.02 -0.12 0.00 -0.56 0.00 0.00 56.30 55.95 1ddk h ASN 90 Cb 0.40 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 1ddk h ASN 90 CO -0.29 0.44 -0.54 0.77 -1.06 0.00 0.00 177.43 176.74 1ddk h SER 91 N 0.71 0.14 -0.24 5.81 4.64 -1.34 -0.47 113.55 122.80 1ddk h SER 91 Ca 0.19 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1ddk h SER 91 Cb -0.08 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1ddk h SER 91 CO -0.04 0.66 0.00 0.54 -0.87 0.00 0.00 176.83 177.11 1ddk n ARG 92 N -3.91 1.66 -4.08 4.77 5.12 -0.90 -4.95 116.66 114.38 1ddk n ARG 92 Ca -0.02 -1.02 -0.44 0.00 -1.93 0.00 0.00 57.85 54.44 1ddk n ARG 92 Cb 0.56 -1.29 0.01 0.00 -1.16 0.00 0.00 32.46 30.59 1ddk n ARG 92 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1ddk n SER 93 N 0.29 -3.60 -4.49 0.55 3.41 -0.18 -4.97 113.62 104.63 1ddk n SER 93 Ca 0.12 -1.23 -0.36 0.00 -0.26 0.00 0.00 58.87 57.15 1ddk n SER 93 Cb 0.27 -1.47 -0.12 0.00 -0.26 0.00 0.00 64.21 62.63 1ddk n SER 93 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ddk s ILE 94 N -3.66 4.38 -0.38 -1.33 1.01 -0.95 -5.03 121.20 115.23 1ddk s ILE 94 Ca 0.44 -0.16 -0.42 0.00 0.00 0.00 0.00 60.65 60.51 1ddk s ILE 94 Cb -0.25 -3.02 -0.17 0.00 0.01 0.00 0.00 42.46 39.03 1ddk s ILE 94 CO 0.91 0.37 1.78 -2.65 0.00 0.00 0.00 174.94 175.36 1ddk n PRO 95 N 4.55 0.64 -4.91 2.79 -0.02 -1.26 -4.56 135.00 132.23 1ddk n PRO 95 Ca -0.16 0.23 -0.33 0.00 -2.02 0.00 0.00 63.50 61.22 1ddk n PRO 95 Cb 0.52 -1.87 -0.14 0.00 -0.02 0.00 0.00 33.50 31.99 1ddk n PRO 95 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ddk s THR 96 N 3.98 2.91 0.12 3.45 -4.23 -1.26 -1.72 115.64 118.90 1ddk s THR 96 Ca 1.04 -0.75 0.08 0.00 -1.18 0.00 0.00 61.69 60.88 1ddk s THR 96 Cb -1.24 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 1ddk s THR 96 CO 0.70 0.57 -0.14 -0.31 -0.54 0.00 0.00 174.62 174.90 1ddk s TYR 97 N -0.29 2.63 -0.01 3.99 1.51 0.80 -0.40 117.35 125.58 1ddk s TYR 97 Ca 0.02 -0.22 -0.29 0.00 -1.01 0.00 0.00 57.07 55.57 1ddk s TYR 97 Cb -0.13 -1.37 0.07 0.00 -0.11 0.00 0.00 41.96 40.42 1ddk s TYR 97 CO 0.03 0.42 0.68 0.00 -1.11 0.00 0.00 175.55 175.56 1ddk s ALA 98 N -1.24 -1.74 0.71 3.71 0.00 0.11 -2.08 121.76 121.23 1ddk s ALA 98 Ca 0.20 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 53.19 1ddk s ALA 98 Cb -0.11 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.21 1ddk s ALA 98 CO 0.12 -0.46 1.09 0.45 0.00 0.00 0.00 175.76 176.97 1ddk s SER 99 N -1.53 4.87 0.47 0.00 0.15 -1.26 -3.04 113.70 113.36 1ddk s SER 99 Ca -0.08 1.87 0.32 0.00 0.70 0.00 0.00 55.95 58.75 1ddk s SER 99 Cb -0.00 -2.53 1.43 0.00 -1.71 0.00 0.00 66.02 63.21 1ddk s SER 99 CO 0.05 -1.79 1.95 -0.08 1.20 0.00 0.00 173.24 174.57 1ddk h GLU 100 N -0.58 0.00 0.02 5.44 4.81 -1.47 0.19 114.58 122.98 1ddk h GLU 100 Ca -0.45 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.46 1ddk h GLU 100 Cb 1.23 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 1ddk h GLU 100 CO 0.53 0.00 -1.90 1.28 -0.73 0.00 0.00 179.01 178.19 1ddk n LEU 101 N -2.77 1.09 0.19 1.64 4.77 -1.26 -3.10 117.00 117.56 1ddk n LEU 101 Ca 0.00 0.29 0.08 0.00 -0.03 0.00 0.00 56.01 56.35 1ddk n LEU 101 Cb 0.22 -0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.39 1ddk n LEU 101 CO 0.22 0.50 0.67 0.71 -1.33 0.00 0.00 177.39 178.16 1ddk h THR 102 N 0.01 0.37 0.00 -5.08 1.35 -1.71 -1.64 112.91 106.21 1ddk h THR 102 Ca -0.36 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 1ddk h THR 102 Cb 2.05 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 70.65 1ddk h THR 102 CO 0.07 0.21 -0.52 -1.13 -0.25 0.00 0.00 175.52 173.90 1ddk h ASN 103 N 0.00 0.00 0.20 5.36 -0.73 -1.11 -2.40 115.58 116.90 1ddk h ASN 103 Ca -0.00 -0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.90 1ddk h ASN 103 Cb 1.16 0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.78 1ddk h ASN 103 CO 0.03 0.00 -1.15 -0.08 -0.37 0.00 0.00 177.43 175.86 1ddk h GLU 104 N 0.00 0.42 -0.60 6.67 4.22 -1.47 -2.88 114.58 120.94 1ddk h GLU 104 Ca 0.00 -0.72 -0.07 0.00 0.08 0.00 0.00 59.36 58.65 1ddk h GLU 104 Cb 0.99 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1ddk h GLU 104 CO 0.00 1.35 0.11 -0.07 -2.18 0.00 0.00 179.01 178.21 1ddk h LEU 105 N -0.12 0.91 0.85 1.64 3.38 -1.29 -1.44 115.31 119.24 1ddk h LEU 105 Ca -0.20 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 1ddk h LEU 105 Cb 1.91 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 42.43 1ddk h LEU 105 CO 0.21 0.90 -0.41 -0.07 0.09 0.00 0.00 178.44 179.17 1ddk h LEU 106 N 0.90 -0.97 -0.82 1.67 3.38 -1.53 -2.37 115.31 115.57 1ddk h LEU 106 Ca 0.19 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.28 1ddk h LEU 106 Cb 0.38 0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 1ddk h LEU 106 CO 0.01 -0.69 -0.42 1.17 0.09 0.00 0.00 178.44 178.60 1ddk n LYS 107 N -5.09 -0.30 -0.31 1.13 4.81 -1.09 0.61 118.16 117.93 1ddk n LYS 107 Ca -0.14 1.25 0.15 0.00 -0.87 0.00 0.00 58.31 58.70 1ddk n LYS 107 Cb 0.45 -1.84 0.32 0.00 0.02 0.00 0.00 35.03 33.98 1ddk n LYS 107 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1ddk h LYS 108 N 0.00 0.27 -0.16 1.64 1.63 -1.10 0.15 116.57 119.01 1ddk h LYS 108 Ca 0.19 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1ddk h LYS 108 Cb 0.40 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1ddk h LYS 108 CO -0.79 0.18 0.00 -0.25 -3.45 0.00 0.00 179.45 175.14 1ddk n ASP 109 N -5.15 0.96 -3.27 4.20 9.92 0.20 -4.90 116.55 118.51 1ddk n ASP 109 Ca 0.23 -1.86 -0.16 0.00 -0.53 0.00 0.00 54.79 52.47 1ddk n ASP 109 Cb 0.73 -0.10 0.08 0.00 -0.64 0.00 0.00 41.12 41.19 1ddk n ASP 109 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ddk n GLY 110 N 0.85 -0.31 3.35 0.44 0.00 0.53 -5.02 105.19 105.04 1ddk n GLY 110 Ca 0.09 0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1ddk n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddk s LYS 111 N -5.34 1.31 0.45 1.61 1.02 -1.05 -5.03 119.74 112.71 1ddk s LYS 111 Ca 0.04 -1.32 -0.24 0.00 0.02 0.00 0.00 55.97 54.46 1ddk s LYS 111 Cb -0.02 -1.64 -0.08 0.00 -0.52 0.00 0.00 37.83 35.58 1ddk s LYS 111 CO 0.68 0.37 1.30 0.08 -0.92 0.00 0.00 175.35 176.86 1ddk s VAL 112 N -1.33 2.55 0.14 3.17 1.01 -1.26 -4.00 120.40 120.68 1ddk s VAL 112 Ca 0.13 0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.54 1ddk s VAL 112 Cb -0.09 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1ddk s VAL 112 CO 0.06 0.04 0.35 -1.10 0.00 0.00 0.00 175.10 174.45 1ddk s GLN 113 N -2.48 3.56 0.87 2.72 -0.21 -1.26 -4.85 119.66 118.01 1ddk s GLN 113 Ca 0.62 -0.21 -0.10 0.00 0.02 0.00 0.00 55.36 55.68 1ddk s GLN 113 Cb -0.37 -2.88 0.12 0.00 1.00 0.00 0.00 33.01 30.88 1ddk s GLN 113 CO 0.47 0.47 1.12 0.00 -2.12 0.00 0.00 175.29 175.23 1ddk s ALA 114 N -1.69 1.73 -2.41 6.09 0.00 -1.26 -4.92 121.76 119.29 1ddk s ALA 114 Ca 0.39 0.45 0.22 0.00 0.00 0.00 0.00 51.96 53.03 1ddk s ALA 114 Cb -0.12 -3.38 0.52 0.00 0.00 0.00 0.00 23.12 20.14 1ddk s ALA 114 CO 0.26 -2.41 1.44 0.25 0.00 0.00 0.00 175.76 175.31 1ddk n THR 115 N -3.98 0.40 -3.75 0.00 -2.24 -0.76 -4.85 114.28 99.11 1ddk n THR 115 Ca 0.11 -0.61 -0.13 0.00 -2.27 0.00 0.00 64.05 61.14 1ddk n THR 115 Cb 0.52 0.77 -0.14 0.00 -2.10 0.00 0.00 70.33 69.39 1ddk n THR 115 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1ddk s ASN 116 N -1.50 -0.12 0.27 3.42 0.01 0.46 -4.91 114.94 112.57 1ddk s ASN 116 Ca 0.36 0.31 0.12 0.00 -0.71 0.00 0.00 52.86 52.94 1ddk s ASN 116 Cb 0.21 0.20 -0.05 0.00 0.41 0.00 0.00 41.25 42.02 1ddk s ASN 116 CO 0.30 -0.15 -0.20 -0.44 -1.51 0.00 0.00 177.10 175.10 1ddk s SER 117 N 1.17 3.48 0.14 -1.22 0.01 -1.25 0.04 113.70 116.07 1ddk s SER 117 Ca -0.09 -1.02 -0.11 0.00 1.31 0.00 0.00 55.95 56.04 1ddk s SER 117 Cb -0.11 -0.28 0.01 0.00 0.21 0.00 0.00 66.02 65.84 1ddk s SER 117 CO -0.06 0.02 0.31 0.72 0.41 0.00 0.00 173.24 174.65 1ddk s PHE 118 N -2.51 0.16 0.14 2.43 -0.12 -1.17 -4.94 117.98 111.98 1ddk s PHE 118 Ca 0.29 -0.53 0.02 0.00 -0.05 0.00 0.00 56.93 56.66 1ddk s PHE 118 Cb -0.05 0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.39 1ddk s PHE 118 CO 0.14 -0.70 0.14 0.45 -0.05 0.00 0.00 175.22 175.20 1ddk n SER 119 N -0.20 -0.36 0.00 1.98 2.88 -1.26 -1.09 113.62 115.57 1ddk n SER 119 Ca -0.11 -1.91 0.00 0.00 -1.33 0.00 0.00 58.87 55.52 1ddk n SER 119 Cb 0.63 0.79 0.00 0.00 -0.75 0.00 0.00 64.21 64.88 1ddk n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ddk n GLY 120 N -0.27 -0.14 0.16 0.46 0.00 -1.26 -4.52 105.19 99.62 1ddk n GLY 120 Ca 0.03 -1.92 0.08 0.00 0.00 0.00 0.00 46.02 44.21 1ddk n GLY 120 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ddk h VAL 121 N 0.00 0.25 -3.28 1.61 2.07 -1.94 -3.43 116.25 111.54 1ddk h VAL 121 Ca 0.00 -1.38 -0.07 0.00 0.82 0.00 0.00 66.70 66.07 1ddk h VAL 121 Cb 0.00 1.98 -0.15 0.00 -1.52 0.00 0.00 31.29 31.59 1ddk h VAL 121 CO 0.00 0.14 -0.14 0.54 0.02 0.00 0.00 177.57 178.13 1ddk s ASN 122 N -6.01 -0.20 -0.15 0.57 2.20 -1.26 -1.38 114.94 108.71 1ddk s ASN 122 Ca 0.03 -0.21 -0.09 0.00 -0.94 0.00 0.00 52.86 51.66 1ddk s ASN 122 Cb 0.07 0.42 0.05 0.00 -2.00 0.00 0.00 41.25 39.80 1ddk s ASN 122 CO 0.73 -0.73 0.37 -0.47 -2.94 0.00 0.00 177.10 174.06 1ddk s TYR 123 N -3.09 -0.51 -0.43 1.54 6.14 -0.84 -4.91 117.35 115.26 1ddk s TYR 123 Ca -0.01 1.12 -0.17 0.00 0.64 0.00 0.00 57.07 58.65 1ddk s TYR 123 Cb 0.01 0.20 0.03 0.00 0.42 0.00 0.00 41.96 42.61 1ddk s TYR 123 CO -0.07 -0.29 0.44 -1.58 0.64 0.00 0.00 175.55 174.69 1ddk s TRP 124 N 1.18 3.17 0.19 4.97 0.52 -1.26 -0.48 118.94 127.23 1ddk s TRP 124 Ca -0.08 -0.42 -0.08 0.00 0.02 0.00 0.00 56.10 55.54 1ddk s TRP 124 Cb -0.08 -2.93 0.09 0.00 -1.15 0.00 0.00 33.47 29.40 1ddk s TRP 124 CO -0.10 -0.72 1.63 1.25 0.02 0.00 0.00 176.95 179.03 1ddk h LEU 125 N 9.06 1.00 -7.46 2.99 5.85 -0.80 -3.39 115.31 122.56 1ddk h LEU 125 Ca -0.27 -0.32 -0.41 0.00 0.84 0.00 0.00 57.88 57.73 1ddk h LEU 125 Cb 1.11 -0.27 -0.38 0.00 0.37 0.00 0.00 40.66 41.49 1ddk h LEU 125 CO 0.80 1.10 -0.76 -0.69 -0.34 0.00 0.00 178.44 178.55 1ddk s VAL 126 N -4.89 0.26 0.00 1.05 1.01 -1.17 -4.99 120.40 111.68 1ddk s VAL 126 Ca -0.11 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1ddk s VAL 126 Cb 0.13 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1ddk s VAL 126 CO 0.86 0.23 0.65 1.17 0.00 0.00 0.00 175.10 178.01 1ddk n LYS 127 N 5.05 0.00 -0.10 2.72 4.81 -1.26 -1.84 118.16 127.54 1ddk n LYS 127 Ca -0.09 0.65 0.11 0.00 -0.87 0.00 0.00 58.31 58.12 1ddk n LYS 127 Cb 0.50 -1.02 0.29 0.00 0.02 0.00 0.00 35.03 34.82 1ddk n LYS 127 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ddk n ASN 128 N -2.32 2.48 -0.05 3.14 3.02 -1.26 -4.47 115.26 115.81 1ddk n ASN 128 Ca 0.00 -1.83 -0.05 0.00 -0.03 0.00 0.00 54.58 52.67 1ddk n ASN 128 Cb 0.00 -0.14 -0.07 0.00 -0.61 0.00 0.00 39.78 38.97 1ddk n ASN 128 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ddk n LYS 129 N 0.87 2.24 -3.76 3.52 5.02 -0.96 -4.42 118.16 120.67 1ddk n LYS 129 Ca 0.17 0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.19 1ddk n LYS 129 Cb 0.47 -1.23 -0.16 0.00 -0.02 0.00 0.00 35.03 34.09 1ddk n LYS 129 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ddk s ILE 130 N -2.21 0.62 0.01 -0.18 1.01 -0.76 -3.52 121.20 116.16 1ddk s ILE 130 Ca -0.06 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.05 1ddk s ILE 130 Cb 0.03 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 1ddk s ILE 130 CO 0.35 -0.17 -0.09 -0.70 0.00 0.00 0.00 174.94 174.33 1ddk s GLU 131 N 1.82 2.48 -0.18 2.79 2.12 0.01 -0.02 118.70 127.71 1ddk s GLU 131 Ca -0.01 -0.76 -0.02 0.00 0.36 0.00 0.00 54.97 54.54 1ddk s GLU 131 Cb -0.17 -2.45 -0.01 0.00 0.26 0.00 0.00 34.13 31.77 1ddk s GLU 131 CO -0.08 0.59 -0.11 0.08 -0.54 0.00 0.00 175.26 175.21 1ddk s VAL 132 N -0.98 3.01 0.07 3.70 1.01 0.37 0.10 120.40 127.68 1ddk s VAL 132 Ca 0.17 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1ddk s VAL 132 Cb -0.11 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1ddk s VAL 132 CO 0.07 0.48 -0.18 0.12 0.00 0.00 0.00 175.10 175.59 1ddk s PHE 133 N 1.02 2.55 -0.32 5.22 5.36 0.03 -1.98 117.98 129.86 1ddk s PHE 133 Ca -0.01 -0.26 0.04 0.00 -0.96 0.00 0.00 56.93 55.74 1ddk s PHE 133 Cb -0.15 -1.42 0.09 0.00 -0.34 0.00 0.00 43.02 41.21 1ddk s PHE 133 CO -0.02 0.31 0.02 -0.47 -1.46 0.00 0.00 175.22 173.60 1ddk s TYR 134 N -1.01 3.55 -0.51 10.12 5.04 -0.48 -1.23 117.35 132.83 1ddk s TYR 134 Ca 0.16 -2.79 0.26 0.00 -2.44 0.00 0.00 57.07 52.25 1ddk s TYR 134 Cb -0.11 -2.65 0.86 0.00 0.35 0.00 0.00 41.96 40.41 1ddk s TYR 134 CO 0.07 -0.93 1.76 -1.00 -1.34 0.00 0.00 175.55 174.11 1ddk h PRO 135 N 7.67 0.00 0.00 4.97 0.13 -1.87 -3.45 132.00 139.45 1ddk h PRO 135 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1ddk h PRO 135 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1ddk h PRO 135 CO 0.50 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.68 1ddk n GLY 136 N 0.73 3.40 3.42 1.56 0.00 -1.26 -4.58 105.19 108.45 1ddk n GLY 136 Ca 0.04 -1.92 -0.47 0.00 0.00 0.00 0.00 46.02 43.67 1ddk n GLY 136 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ddk n PRO 137 N -1.13 0.22 0.00 1.61 -0.04 -1.26 -4.86 135.00 129.53 1ddk n PRO 137 Ca 0.00 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1ddk n PRO 137 Cb 0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1ddk n PRO 137 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ddk n GLY 138 N 1.91 -0.32 0.26 0.55 0.00 -1.26 -3.87 105.19 102.47 1ddk n GLY 138 Ca 0.16 0.51 0.02 0.00 0.00 0.00 0.00 46.02 46.71 1ddk n GLY 138 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1ddk h HIS 139 N 0.00 0.56 -4.48 1.61 -0.00 -1.88 -3.01 115.15 107.95 1ddk h HIS 139 Ca 0.00 0.03 -0.31 0.00 -0.00 0.00 0.00 60.37 60.09 1ddk h HIS 139 Cb 0.00 -0.15 -0.15 0.00 -0.00 0.00 0.00 27.41 27.12 1ddk h HIS 139 CO 0.00 0.16 -0.59 0.95 -0.00 0.00 0.00 177.93 178.45 1ddk s THR 140 N -6.06 0.10 -1.57 6.26 -4.23 -1.25 -3.70 115.64 105.19 1ddk s THR 140 Ca -0.13 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.69 1ddk s THR 140 Cb 0.18 -2.52 0.62 0.00 1.34 0.00 0.00 72.50 72.13 1ddk s THR 140 CO 0.76 0.00 2.10 -0.81 -0.54 0.00 0.00 174.62 176.13 1ddk n PRO 141 N -0.38 0.57 -0.00 3.99 -0.04 -1.25 -3.94 135.00 133.96 1ddk n PRO 141 Ca 0.03 -0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.50 1ddk n PRO 141 Cb 0.65 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 1ddk n PRO 141 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ddk n ASP 142 N -1.21 3.92 -2.84 3.54 3.85 -1.26 -4.34 116.55 118.22 1ddk n ASP 142 Ca 0.17 -0.03 -0.36 0.00 -0.71 0.00 0.00 54.79 53.86 1ddk n ASP 142 Cb 0.21 1.17 -0.05 0.00 -1.35 0.00 0.00 41.12 41.11 1ddk n ASP 142 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1ddk n ASN 143 N -1.61 -0.13 -4.71 -1.12 2.04 -1.25 -4.75 115.26 103.72 1ddk n ASN 143 Ca -0.01 0.73 -0.33 0.00 -0.44 0.00 0.00 54.58 54.54 1ddk n ASN 143 Cb 0.10 -0.59 -0.08 0.00 -2.53 0.00 0.00 39.78 36.69 1ddk n ASN 143 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 1ddk s VAL 144 N -0.10 1.10 0.06 3.53 -7.23 0.13 -4.66 120.40 113.23 1ddk s VAL 144 Ca 0.55 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.77 1ddk s VAL 144 Cb -0.77 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 1ddk s VAL 144 CO 0.36 0.00 -0.13 0.54 -0.31 0.00 0.00 175.10 175.56 1ddk s VAL 145 N -2.91 1.05 -0.12 1.32 0.11 -0.37 -4.73 120.40 114.77 1ddk s VAL 145 Ca 0.07 -1.16 0.03 0.00 -2.93 0.00 0.00 61.98 57.99 1ddk s VAL 145 Cb 0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1ddk s VAL 145 CO 0.04 -0.15 -0.22 -0.69 -3.33 0.00 0.00 175.10 170.74 1ddk s VAL 146 N -1.11 2.15 -0.16 2.04 1.01 0.60 -0.79 120.40 124.14 1ddk s VAL 146 Ca -0.01 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 1ddk s VAL 146 Cb -0.09 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1ddk s VAL 146 CO 0.02 0.55 0.07 0.86 0.00 0.00 0.00 175.10 176.60 1ddk s TRP 147 N 0.50 3.31 -0.69 5.22 -0.00 0.28 -0.08 118.94 127.48 1ddk s TRP 147 Ca -0.14 0.19 -0.04 0.00 -0.00 0.00 0.00 56.10 56.10 1ddk s TRP 147 Cb -0.17 -2.01 0.18 0.00 -0.00 0.00 0.00 33.47 31.47 1ddk s TRP 147 CO 0.05 0.33 0.53 -0.51 -0.00 0.00 0.00 176.95 177.35 1ddk s LEU 148 N -0.11 5.50 0.01 5.86 1.43 -0.07 -0.81 118.68 130.49 1ddk s LEU 148 Ca 0.07 -2.94 -0.02 0.00 -1.03 0.00 0.00 54.13 50.21 1ddk s LEU 148 Cb -0.12 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 1ddk s LEU 148 CO 0.01 -0.37 1.01 -2.65 0.23 0.00 0.00 176.35 174.57 1ddk n PRO 149 N 3.41 -0.02 -0.49 1.29 -0.02 -1.23 -1.00 135.00 136.94 1ddk n PRO 149 Ca 0.10 1.01 -0.01 0.00 -2.02 0.00 0.00 63.50 62.58 1ddk n PRO 149 Cb 0.39 -1.51 -0.01 0.00 -0.02 0.00 0.00 33.50 32.35 1ddk n PRO 149 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ddk n GLU 150 N -3.10 0.97 0.00 -0.52 0.28 -1.26 -3.10 120.64 113.90 1ddk n GLU 150 Ca 0.00 -0.09 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1ddk n GLU 150 Cb 0.01 -1.14 0.00 0.00 1.43 0.00 0.00 31.44 31.74 1ddk n GLU 150 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1ddk n ARG 151 N 1.66 0.00 -2.99 3.44 3.00 -0.97 -5.02 116.66 115.78 1ddk n ARG 151 Ca 0.04 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.69 1ddk n ARG 151 Cb 0.48 0.00 0.04 0.00 0.00 0.00 0.00 32.46 32.97 1ddk n ARG 151 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1ddk n LYS 152 N 0.00 -4.65 -4.35 -0.14 4.01 -0.17 -4.79 118.16 108.06 1ddk n LYS 152 Ca 0.00 0.81 -0.34 0.00 -0.51 0.00 0.00 58.31 58.26 1ddk n LYS 152 Cb 0.00 -5.47 -0.11 0.00 -0.51 0.00 0.00 35.03 28.94 1ddk n LYS 152 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1ddk s ILE 153 N -3.13 4.16 -0.19 -0.18 1.01 -1.17 -1.13 121.20 120.56 1ddk s ILE 153 Ca 0.30 -0.28 -0.00 0.00 0.00 0.00 0.00 60.65 60.66 1ddk s ILE 153 Cb -0.13 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.56 1ddk s ILE 153 CO 0.37 0.53 -0.16 -0.22 0.00 0.00 0.00 174.94 175.46 1ddk s LEU 154 N -0.13 2.33 -0.25 2.97 2.96 0.02 -0.89 118.68 125.68 1ddk s LEU 154 Ca 0.04 -0.58 -0.18 0.00 -0.22 0.00 0.00 54.13 53.19 1ddk s LEU 154 Cb -0.13 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1ddk s LEU 154 CO 0.02 0.00 0.50 0.12 -1.32 0.00 0.00 176.35 175.67 1ddk s PHE 155 N 1.30 3.28 -0.10 5.38 5.36 0.88 0.10 117.98 134.18 1ddk s PHE 155 Ca 0.04 0.62 0.15 0.00 -0.96 0.00 0.00 56.93 56.78 1ddk s PHE 155 Cb -0.13 -2.69 0.22 0.00 -0.34 0.00 0.00 43.02 40.08 1ddk s PHE 155 CO -0.10 -0.25 1.11 0.41 -1.46 0.00 0.00 175.22 174.93 1ddk n GLY 156 N 4.36 4.35 3.06 13.12 0.00 -1.05 -0.29 105.19 128.73 1ddk n GLY 156 Ca -0.05 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1ddk n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ddk n GLY 157 N -1.21 0.49 0.00 -0.02 0.00 -1.24 -1.11 105.19 102.10 1ddk n GLY 157 Ca 0.12 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 45.99 1ddk n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ddk h PHE 159 N 0.00 0.57 -3.61 0.00 3.04 -1.48 -3.44 116.94 112.03 1ddk h PHE 159 Ca 0.00 -0.42 -0.58 0.00 3.98 0.00 0.00 57.97 60.95 1ddk h PHE 159 Cb 0.00 -0.02 -0.08 0.00 2.56 0.00 0.00 35.95 38.41 1ddk h PHE 159 CO 0.00 1.50 0.77 0.42 -2.02 0.00 0.00 178.31 178.98 1ddk s ILE 160 N -2.60 4.38 -0.40 1.41 -1.09 -0.98 -4.84 121.20 117.08 1ddk s ILE 160 Ca -0.12 1.16 0.10 0.00 -2.23 0.00 0.00 60.65 59.57 1ddk s ILE 160 Cb 0.06 -4.49 0.35 0.00 -1.58 0.00 0.00 42.46 36.80 1ddk s ILE 160 CO 0.86 -0.82 0.88 0.29 -1.23 0.00 0.00 174.94 174.92 1ddk n LYS 161 N 7.37 1.00 -0.28 2.79 5.02 -1.26 -4.53 118.16 128.26 1ddk n LYS 161 Ca 0.10 -2.86 -0.02 0.00 -2.02 0.00 0.00 58.31 53.50 1ddk n LYS 161 Cb 0.48 -1.42 0.01 0.00 -0.02 0.00 0.00 35.03 34.08 1ddk n LYS 161 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1ddk n PRO 162 N 0.26 -0.20 0.21 1.97 -0.04 -1.26 -1.79 135.00 134.15 1ddk n PRO 162 Ca 0.17 1.10 0.10 0.00 -0.04 0.00 0.00 63.50 64.83 1ddk n PRO 162 Cb 0.69 -1.62 0.18 0.00 -0.04 0.00 0.00 33.50 32.70 1ddk n PRO 162 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1ddk h TYR 163 N 0.00 0.00 -1.30 0.54 0.99 -1.96 -3.42 116.97 111.82 1ddk h TYR 163 Ca 0.22 0.00 0.15 0.00 2.00 0.00 0.00 58.73 61.10 1ddk h TYR 163 Cb 0.40 0.00 -0.30 0.00 1.00 0.00 0.00 36.73 37.83 1ddk h TYR 163 CO -0.65 0.10 0.64 0.20 -0.00 0.00 0.00 178.16 178.46 1ddk s GLY 164 N -4.26 0.23 0.50 3.88 0.00 -0.74 -5.03 107.32 101.90 1ddk s GLY 164 Ca 0.06 3.32 0.22 0.00 0.00 0.00 0.00 44.72 48.32 1ddk s GLY 164 CO 0.68 2.27 2.06 1.41 0.00 0.00 0.00 173.10 179.51 1ddk h LEU 165 N 4.53 0.00 0.00 0.66 3.38 -1.90 -3.43 115.31 118.55 1ddk h LEU 165 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1ddk h LEU 165 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ddk h LEU 165 CO 0.18 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.45 1ddk n GLY 166 N -0.93 0.19 3.55 0.83 0.00 -1.26 -4.80 105.19 102.76 1ddk n GLY 166 Ca -0.02 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 1ddk n GLY 166 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ddk n ASN 167 N 2.19 2.63 -0.32 1.61 5.15 -1.26 -4.81 115.26 120.45 1ddk n ASN 167 Ca 0.00 0.07 0.14 0.00 -0.60 0.00 0.00 54.58 54.19 1ddk n ASN 167 Cb 0.00 -1.47 0.63 0.00 -0.53 0.00 0.00 39.78 38.41 1ddk n ASN 167 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ddk n LEU 168 N 12.28 0.99 0.00 1.20 4.77 -1.26 -4.59 117.00 130.39 1ddk n LEU 168 Ca 0.36 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1ddk n LEU 168 Cb 0.40 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1ddk n LEU 168 CO 0.71 0.17 0.31 0.61 -1.33 0.00 0.00 177.39 177.86 1ddk n GLY 169 N 1.09 -2.43 2.76 -0.72 0.00 -1.26 -2.00 105.19 102.63 1ddk n GLY 169 Ca 0.20 0.48 -0.35 0.00 0.00 0.00 0.00 46.02 46.34 1ddk n GLY 169 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ddk n ASP 170 N -2.14 6.44 -4.62 1.61 8.00 -1.26 -5.02 116.55 119.57 1ddk n ASP 170 Ca 0.00 -3.77 -0.23 0.00 0.71 0.00 0.00 54.79 51.50 1ddk n ASP 170 Cb 0.00 -0.87 0.12 0.00 -0.02 0.00 0.00 41.12 40.34 1ddk n ASP 170 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddk n ALA 171 N -0.41 0.29 -2.70 2.24 0.00 -0.85 -3.76 120.51 115.32 1ddk n ALA 171 Ca 0.46 -2.00 -0.09 0.00 0.00 0.00 0.00 53.44 51.81 1ddk n ALA 171 Cb 0.37 0.35 0.05 0.00 0.00 0.00 0.00 19.45 20.21 1ddk n ALA 171 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ddk n ASN 172 N -2.86 0.58 -0.37 0.00 2.85 -1.14 -4.88 115.26 109.45 1ddk n ASN 172 Ca 0.17 -2.69 0.28 0.00 -0.11 0.00 0.00 54.58 52.23 1ddk n ASN 172 Cb 0.60 -0.14 0.45 0.00 1.24 0.00 0.00 39.78 41.93 1ddk n ASN 172 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ddk n ILE 173 N -0.15 -0.05 -0.13 -1.44 0.13 -1.26 0.48 119.36 116.94 1ddk n ILE 173 Ca 0.07 0.92 -0.11 0.00 -1.10 0.00 0.00 62.75 62.53 1ddk n ILE 173 Cb 0.81 -1.52 -0.02 0.00 -0.84 0.00 0.00 39.64 38.07 1ddk n ILE 173 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 1ddk h GLU 174 N 0.00 0.69 0.00 9.51 4.57 -1.95 -3.31 114.58 124.09 1ddk h GLU 174 Ca 0.53 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1ddk h GLU 174 Cb 2.01 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.55 1ddk h GLU 174 CO -0.09 0.82 -1.09 0.00 -1.18 0.00 0.00 179.01 177.47 1ddk n ALA 175 N -2.42 3.56 -0.33 2.92 0.00 0.18 -4.43 120.51 119.98 1ddk n ALA 175 Ca -0.01 -0.44 0.09 0.00 0.00 0.00 0.00 53.44 53.07 1ddk n ALA 175 Cb 0.32 -0.93 0.29 0.00 0.00 0.00 0.00 19.45 19.13 1ddk n ALA 175 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1ddk h TRP 176 N 0.00 1.04 -0.63 0.00 2.91 -1.54 -0.94 115.95 116.79 1ddk h TRP 176 Ca 0.00 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 59.97 1ddk h TRP 176 Cb 0.71 -0.33 -0.03 0.00 -0.51 0.00 0.00 29.16 29.01 1ddk h TRP 176 CO 0.00 0.40 0.10 -1.35 -1.03 0.00 0.00 178.44 176.56 1ddk h PRO 177 N 0.89 1.04 -0.26 2.65 0.11 -1.77 0.27 132.00 134.93 1ddk h PRO 177 Ca 0.49 -0.27 -0.09 0.00 0.11 0.00 0.00 66.00 66.24 1ddk h PRO 177 Cb 0.57 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1ddk h PRO 177 CO -0.25 0.96 -0.18 0.87 -0.21 0.00 0.00 178.00 179.18 1ddk h LYS 178 N 0.97 0.58 -0.27 1.05 1.57 -1.52 -1.26 116.57 117.70 1ddk h LYS 178 Ca 0.19 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1ddk h LYS 178 Cb 0.43 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1ddk h LYS 178 CO 0.01 0.86 -0.10 0.77 -0.57 0.00 0.00 179.45 180.42 1ddk h SER 179 N 0.31 0.55 -0.86 0.86 0.02 -1.16 -1.27 113.55 112.00 1ddk h SER 179 Ca 0.05 -0.39 0.10 0.00 -0.84 0.00 0.00 61.79 60.71 1ddk h SER 179 Cb 0.72 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.04 1ddk h SER 179 CO 0.05 0.81 0.56 0.00 -1.14 0.00 0.00 176.83 177.11 1ddk h ALA 180 N 0.75 1.69 -0.11 3.77 0.00 -0.44 0.23 119.26 125.15 1ddk h ALA 180 Ca 0.06 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1ddk h ALA 180 Cb 0.59 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ddk h ALA 180 CO 0.03 0.12 -0.26 -0.22 0.00 0.00 0.00 179.25 178.93 1ddk h LYS 181 N 0.82 0.36 -0.63 0.00 3.64 -0.94 -2.43 116.57 117.38 1ddk h LYS 181 Ca 0.40 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1ddk h LYS 181 Cb 0.45 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1ddk h LYS 181 CO -0.17 0.86 0.19 1.25 -2.27 0.00 0.00 179.45 179.31 1ddk h LEU 182 N -0.07 0.89 -0.55 5.20 5.85 -0.74 -2.70 115.31 123.19 1ddk h LEU 182 Ca -0.00 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1ddk h LEU 182 Cb 0.86 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1ddk h LEU 182 CO 0.06 0.84 0.17 0.25 -0.34 0.00 0.00 178.44 179.42 1ddk h LEU 183 N 0.93 0.80 -1.84 2.25 5.85 -0.56 -2.26 115.31 120.48 1ddk h LEU 183 Ca 0.21 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ddk h LEU 183 Cb 0.27 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1ddk h LEU 183 CO -0.01 0.80 0.15 0.50 -0.34 0.00 0.00 178.44 179.54 1ddk h LYS 184 N 0.76 0.20 0.22 1.25 3.64 -1.22 -2.73 116.57 118.70 1ddk h LYS 184 Ca 0.18 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1ddk h LYS 184 Cb 0.28 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1ddk h LYS 184 CO -0.01 0.13 -0.10 0.77 -2.27 0.00 0.00 179.45 177.97 1ddk h SER 185 N 0.21 -0.25 0.04 4.20 0.02 -1.12 -2.79 113.55 113.85 1ddk h SER 185 Ca 0.09 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1ddk h SER 185 Cb 0.11 0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 1ddk h SER 185 CO -0.02 0.01 -0.39 0.50 -1.14 0.00 0.00 176.83 175.80 1ddk h LYS 186 N -0.67 -0.55 -0.95 3.45 1.63 -1.44 -3.24 116.57 114.80 1ddk h LYS 186 Ca -0.03 0.04 -0.64 0.00 -0.85 0.00 0.00 60.65 59.17 1ddk h LYS 186 Cb 0.22 0.12 -0.33 0.00 -0.60 0.00 0.00 32.23 31.65 1ddk h LYS 186 CO 0.05 -0.37 0.36 0.66 -3.45 0.00 0.00 179.45 176.70 1ddk n TYR 187 N -5.44 3.09 0.71 1.91 4.02 -1.03 -4.54 117.16 115.88 1ddk n TYR 187 Ca -0.06 -2.78 0.13 0.00 -0.01 0.00 0.00 57.90 55.18 1ddk n TYR 187 Cb 0.36 -1.10 0.48 0.00 -0.02 0.00 0.00 39.34 39.06 1ddk n TYR 187 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ddk n GLY 188 N -0.84 -1.49 0.38 2.72 0.00 -1.05 -2.72 105.19 102.17 1ddk n GLY 188 Ca 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1ddk n GLY 188 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ddk n LYS 189 N -1.90 0.68 -2.39 1.61 5.02 -1.26 -4.82 118.16 115.09 1ddk n LYS 189 Ca 0.05 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 1ddk n LYS 189 Cb 0.34 -1.26 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 1ddk n LYS 189 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ddk s ALA 190 N -1.24 3.41 -0.19 7.82 0.00 -1.10 -4.94 121.76 125.52 1ddk s ALA 190 Ca 0.00 0.89 -0.22 0.00 0.00 0.00 0.00 51.96 52.63 1ddk s ALA 190 Cb 0.00 -3.45 -0.19 0.00 0.00 0.00 0.00 23.12 19.48 1ddk s ALA 190 CO 0.00 -0.44 0.29 0.87 0.00 0.00 0.00 175.76 176.48 1ddk h LYS 191 N 6.59 0.00 -5.46 0.00 1.79 -1.44 -3.12 116.57 114.93 1ddk h LYS 191 Ca -0.42 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 57.62 1ddk h LYS 191 Cb 1.21 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.65 1ddk h LYS 191 CO 0.81 0.93 -0.78 -0.51 -1.08 0.00 0.00 179.45 178.81 1ddk s LEU 192 N -7.97 2.30 -0.15 2.94 1.43 -0.68 -4.41 118.68 112.14 1ddk s LEU 192 Ca -0.26 -0.65 -0.04 0.00 -1.03 0.00 0.00 54.13 52.15 1ddk s LEU 192 Cb 0.04 -0.56 0.05 0.00 0.03 0.00 0.00 46.19 45.75 1ddk s LEU 192 CO 0.58 -0.07 0.06 -0.69 0.23 0.00 0.00 176.35 176.46 1ddk s VAL 193 N -1.38 0.16 -0.55 -1.59 1.01 -1.21 -0.80 120.40 116.04 1ddk s VAL 193 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 1ddk s VAL 193 Cb -0.09 -0.67 0.09 0.00 0.00 0.00 0.00 36.38 35.70 1ddk s VAL 193 CO 0.03 -0.15 0.62 -0.69 0.00 0.00 0.00 175.10 174.90 1ddk s VAL 194 N 2.03 4.93 0.97 2.92 1.01 0.12 -1.02 120.40 131.36 1ddk s VAL 194 Ca 0.02 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 1ddk s VAL 194 Cb -0.16 -4.37 0.17 0.00 0.00 0.00 0.00 36.38 32.02 1ddk s VAL 194 CO -0.08 -0.94 1.14 -2.16 0.00 0.00 0.00 175.10 173.07 1ddk s PRO 195 N 2.43 0.63 -0.02 2.72 0.04 -1.26 -2.54 135.00 136.99 1ddk s PRO 195 Ca 0.11 0.22 0.07 0.00 0.04 0.00 0.00 61.00 61.44 1ddk s PRO 195 Cb -0.23 -1.79 -0.24 0.00 0.04 0.00 0.00 34.50 32.28 1ddk s PRO 195 CO 0.08 -2.53 0.74 0.77 0.04 0.00 0.00 177.00 176.10 1ddk h SER 196 N -1.74 0.11 -1.74 6.66 0.02 -1.76 -3.41 113.55 111.69 1ddk h SER 196 Ca -0.50 -0.19 -0.46 0.00 -0.84 0.00 0.00 61.79 59.80 1ddk h SER 196 Cb 1.32 -0.03 -0.40 0.00 0.14 0.00 0.00 62.40 63.42 1ddk h SER 196 CO 0.56 1.17 -1.14 1.41 -1.14 0.00 0.00 176.83 177.68 1ddk n HIS 197 N -3.20 0.83 -3.55 3.45 8.25 -1.26 -2.01 115.22 117.72 1ddk n HIS 197 Ca -0.16 -3.54 -0.07 0.00 -0.26 0.00 0.00 57.72 53.70 1ddk n HIS 197 Cb 1.03 -0.40 -0.02 0.00 1.12 0.00 0.00 29.99 31.72 1ddk n HIS 197 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ddk s SER 198 N -2.73 -0.28 0.47 0.41 0.01 -1.26 -5.07 113.70 105.24 1ddk s SER 198 Ca 0.37 -0.05 -0.23 0.00 1.31 0.00 0.00 55.95 57.36 1ddk s SER 198 Cb 0.38 0.34 -0.07 0.00 0.21 0.00 0.00 66.02 66.87 1ddk s SER 198 CO -0.06 -0.56 1.19 -1.61 0.41 0.00 0.00 173.24 172.62 1ddk s GLU 199 N -2.96 3.70 0.60 12.44 2.02 -1.26 -4.49 118.70 128.74 1ddk s GLU 199 Ca 0.07 1.83 -0.18 0.00 0.02 0.00 0.00 54.97 56.72 1ddk s GLU 199 Cb -0.01 -2.40 -0.10 0.00 0.10 0.00 0.00 34.13 31.71 1ddk s GLU 199 CO -0.07 -0.62 0.23 0.28 0.02 0.00 0.00 175.26 175.11 1ddk n VAL 200 N -0.52 1.28 -0.04 2.63 0.31 -1.26 -4.70 118.33 116.03 1ddk n VAL 200 Ca 0.07 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1ddk n VAL 200 Cb 0.48 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 1ddk n VAL 200 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ddk n GLY 201 N 2.10 5.62 3.84 2.92 0.00 -0.19 -4.96 105.19 114.52 1ddk n GLY 201 Ca 0.09 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.03 1ddk n GLY 201 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ddk s ASP 202 N 1.00 -0.24 0.13 1.61 -4.77 -1.26 -3.31 116.67 109.83 1ddk s ASP 202 Ca 0.00 -0.65 0.11 0.00 -3.30 0.00 0.00 52.55 48.71 1ddk s ASP 202 Cb 0.00 0.72 0.41 0.00 -1.09 0.00 0.00 42.92 42.96 1ddk s ASP 202 CO 0.00 -1.34 0.39 0.00 0.70 0.00 0.00 175.17 174.93 1ddk n ALA 203 N -0.45 0.42 0.00 2.11 0.00 -1.18 -0.03 120.51 121.38 1ddk n ALA 203 Ca -0.04 0.19 0.02 0.00 0.00 0.00 0.00 53.44 53.61 1ddk n ALA 203 Cb 0.59 -0.28 0.37 0.00 0.00 0.00 0.00 19.45 20.14 1ddk n ALA 203 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ddk h SER 204 N 0.00 0.47 -0.11 0.00 4.64 -1.95 -1.98 113.55 114.63 1ddk h SER 204 Ca 0.23 -0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1ddk h SER 204 Cb 0.86 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1ddk h SER 204 CO -0.05 0.43 0.16 -0.07 -0.87 0.00 0.00 176.83 176.43 1ddk h LEU 205 N 0.53 0.00 -0.17 5.97 3.38 -0.85 -0.67 115.31 123.50 1ddk h LEU 205 Ca 0.13 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1ddk h LEU 205 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1ddk h LEU 205 CO -0.02 0.00 -0.30 -0.07 0.09 0.00 0.00 178.44 178.15 1ddk h LEU 206 N 0.00 0.56 -0.52 1.67 3.38 -1.55 -1.59 115.31 117.26 1ddk h LEU 206 Ca 0.05 -0.54 -0.16 0.00 0.09 0.00 0.00 57.88 57.33 1ddk h LEU 206 Cb 0.38 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1ddk h LEU 206 CO -0.00 0.99 -0.51 0.50 0.09 0.00 0.00 178.44 179.51 1ddk h LYS 207 N 0.14 0.61 -0.01 1.13 3.64 -1.43 -2.57 116.57 118.07 1ddk h LYS 207 Ca 0.01 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1ddk h LYS 207 Cb 0.89 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1ddk h LYS 207 CO 0.07 0.97 0.01 -0.07 -2.27 0.00 0.00 179.45 178.16 1ddk h LEU 208 N 0.47 0.02 -1.66 5.20 3.38 -1.12 -1.51 115.31 120.08 1ddk h LEU 208 Ca 0.02 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1ddk h LEU 208 Cb 1.05 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1ddk h LEU 208 CO 0.10 0.07 -0.20 0.74 0.09 0.00 0.00 178.44 179.24 1ddk h THR 209 N -0.04 0.87 -0.19 0.22 2.02 -1.31 0.18 112.91 114.65 1ddk h THR 209 Ca 0.00 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.41 1ddk h THR 209 Cb 0.05 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1ddk h THR 209 CO -0.00 0.19 -0.01 0.25 0.37 0.00 0.00 175.52 176.32 1ddk h LEU 210 N 0.00 0.35 -0.35 2.58 5.85 -0.95 0.28 115.31 123.07 1ddk h LEU 210 Ca -0.00 -0.32 -0.16 0.00 0.84 0.00 0.00 57.88 58.23 1ddk h LEU 210 Cb 0.42 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1ddk h LEU 210 CO 0.03 0.59 -0.42 -0.33 -0.34 0.00 0.00 178.44 177.97 1ddk h GLU 211 N 0.10 0.91 -0.97 1.25 5.08 -0.91 -1.48 114.58 118.56 1ddk h GLU 211 Ca 0.05 -0.50 0.11 0.00 -1.00 0.00 0.00 59.36 58.02 1ddk h GLU 211 Cb 0.42 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 1ddk h GLU 211 CO 0.01 1.15 0.60 0.37 -1.00 0.00 0.00 179.01 180.15 1ddk h GLN 212 N 0.71 0.96 -0.03 2.33 5.75 -0.50 -0.66 115.11 123.66 1ddk h GLN 212 Ca 0.05 -0.06 -0.23 0.00 -0.15 0.00 0.00 58.65 58.26 1ddk h GLN 212 Cb 1.02 -0.22 0.02 0.00 1.07 0.00 0.00 27.48 29.37 1ddk h GLN 212 CO 0.10 0.63 -0.86 0.00 -2.65 0.00 0.00 178.83 176.05 1ddk h ALA 213 N 1.51 0.15 -0.60 3.38 0.00 -0.20 -2.18 119.26 121.31 1ddk h ALA 213 Ca 0.47 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1ddk h ALA 213 Cb 0.41 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1ddk h ALA 213 CO -0.25 0.58 0.14 -0.39 0.00 0.00 0.00 179.25 179.34 1ddk h VAL 214 N 0.28 1.25 -0.75 0.00 -1.51 -1.02 0.07 116.25 114.57 1ddk h VAL 214 Ca -0.10 -0.91 -0.05 0.00 -1.23 0.00 0.00 66.70 64.41 1ddk h VAL 214 Cb 1.53 0.69 -0.03 0.00 -2.13 0.00 0.00 31.29 31.34 1ddk h VAL 214 CO 0.17 0.34 0.28 0.50 -1.23 0.00 0.00 177.57 177.64 1ddk h LYS 215 N 0.88 1.12 -0.73 5.19 3.64 -1.18 0.11 116.57 125.60 1ddk h LYS 215 Ca 0.19 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1ddk h LYS 215 Cb 0.36 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1ddk h LYS 215 CO 0.00 0.92 0.23 0.78 -2.27 0.00 0.00 179.45 179.11 1ddk h GLY 216 N 1.12 1.23 0.87 5.01 0.00 -0.83 0.41 103.07 110.89 1ddk h GLY 216 Ca 0.25 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1ddk h GLY 216 CO -0.02 0.68 0.06 -2.00 0.00 0.00 0.00 176.54 175.27 1ddk h LEU 217 N 1.09 0.37 -0.28 3.11 5.85 -0.09 -3.04 115.31 122.32 1ddk h LEU 217 Ca 0.24 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1ddk h LEU 217 Cb 0.31 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1ddk h LEU 217 CO -0.01 0.50 -0.01 0.78 -0.34 0.00 0.00 178.44 179.37 1ddk h ASN 218 N 0.22 0.48 0.00 1.25 4.21 -0.83 -3.04 115.58 117.88 1ddk h ASN 218 Ca 0.08 -0.32 0.00 0.00 1.21 0.00 0.00 56.30 57.27 1ddk h ASN 218 Cb 0.28 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 1ddk h ASN 218 CO 0.00 0.68 0.00 1.21 -1.29 0.00 0.00 177.43 178.03 1ddk n GLU 219 N -4.59 0.02 0.00 0.81 4.07 0.14 -1.02 120.64 120.07 1ddk n GLU 219 Ca -0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 1ddk n GLU 219 Cb 0.26 -1.03 0.00 0.00 -0.06 0.00 0.00 31.44 30.61 1ddk n GLU 219 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1ddk n SER 220 N -0.53 2.74 -0.39 4.31 3.41 -1.15 -5.02 113.62 117.00 1ddk n SER 220 Ca 0.00 -0.21 0.05 0.00 -0.26 0.00 0.00 58.87 58.45 1ddk n SER 220 Cb 0.00 0.96 0.04 0.00 -0.26 0.00 0.00 64.21 64.95 1ddk n SER 220 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17