#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dtt s LYS 2 N 0.00 2.39 0.01 2.12 1.02 -1.26 -5.13 119.74 118.89 2dtt s LYS 2 Ca 0.00 -0.90 0.08 0.00 0.02 0.00 0.00 55.97 55.17 2dtt s LYS 2 Cb 0.00 -2.14 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 2dtt s LYS 2 CO 0.00 0.46 -0.25 -1.54 -0.92 0.00 0.00 175.35 173.11 2dtt s SER 3 N -0.36 3.23 0.05 2.83 1.04 -1.26 -5.08 113.70 114.15 2dtt s SER 3 Ca 0.03 -0.49 -0.09 0.00 0.48 0.00 0.00 55.95 55.87 2dtt s SER 3 Cb -0.12 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.62 2dtt s SER 3 CO 0.02 0.29 0.18 -0.13 0.98 0.00 0.00 173.24 174.58 2dtt s ARG 4 N -0.94 0.71 0.00 4.02 0.52 -1.26 -1.97 118.95 120.02 2dtt s ARG 4 Ca 0.11 -0.70 0.04 0.00 -0.52 0.00 0.00 55.73 54.67 2dtt s ARG 4 Cb -0.10 0.29 -0.03 0.00 0.52 0.00 0.00 34.95 35.63 2dtt s ARG 4 CO 0.01 -0.21 -0.12 0.96 0.02 0.00 0.00 175.30 175.97 2dtt s ILE 5 N -2.79 3.27 0.02 1.52 -4.36 -0.46 -4.94 121.20 113.46 2dtt s ILE 5 Ca -0.03 -0.88 0.07 0.00 -0.26 0.00 0.00 60.65 59.55 2dtt s ILE 5 Cb -0.00 -2.38 -0.02 0.00 1.25 0.00 0.00 42.46 41.31 2dtt s ILE 5 CO -0.05 0.42 -0.22 -0.63 0.24 0.00 0.00 174.94 174.71 2dtt s ILE 6 N -0.92 1.73 -0.01 8.37 1.01 -1.26 -1.40 121.20 128.72 2dtt s ILE 6 Ca 0.15 -1.13 0.03 0.00 0.00 0.00 0.00 60.65 59.70 2dtt s ILE 6 Cb -0.11 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 2dtt s ILE 6 CO 0.05 0.31 -0.11 0.68 0.00 0.00 0.00 174.94 175.88 2dtt s VAL 7 N -0.70 0.88 -0.03 2.92 -7.23 -0.48 -4.98 120.40 110.77 2dtt s VAL 7 Ca 0.08 -0.46 0.07 0.00 -1.81 0.00 0.00 61.98 59.86 2dtt s VAL 7 Cb -0.09 -0.74 -0.02 0.00 0.56 0.00 0.00 36.38 36.09 2dtt s VAL 7 CO 0.01 0.25 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.70 2dtt s ARG 8 N -0.18 2.22 0.35 4.82 0.52 -1.26 -1.06 118.95 124.37 2dtt s ARG 8 Ca 0.03 -0.86 -0.03 0.00 -0.52 0.00 0.00 55.73 54.35 2dtt s ARG 8 Cb -0.05 -2.15 0.01 0.00 0.52 0.00 0.00 34.95 33.28 2dtt s ARG 8 CO -0.00 0.58 0.50 -0.08 0.02 0.00 0.00 175.30 176.32 2dtt s THR 9 N -0.66 0.00 0.16 0.02 -1.32 0.24 -4.99 115.64 109.10 2dtt s THR 9 Ca 0.11 -1.57 -0.19 0.00 -1.21 0.00 0.00 61.69 58.83 2dtt s THR 9 Cb -0.10 -2.68 0.04 0.00 -1.51 0.00 0.00 72.50 68.25 2dtt s THR 9 CO -0.00 0.00 0.51 -0.94 -2.21 0.00 0.00 174.62 171.97 2dtt s SER 10 N -3.24 -0.34 0.10 8.08 1.04 -1.26 -0.40 113.70 117.68 2dtt s SER 10 Ca 0.30 -0.30 -0.25 0.00 0.48 0.00 0.00 55.95 56.18 2dtt s SER 10 Cb -0.01 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.73 2dtt s SER 10 CO 0.21 -0.97 0.61 0.72 0.98 0.00 0.00 173.24 174.78 2dtt s PHE 11 N -3.82 -0.55 -0.08 5.02 -0.12 -0.82 -4.99 117.98 112.61 2dtt s PHE 11 Ca 0.05 0.54 0.00 0.00 -0.05 0.00 0.00 56.93 57.47 2dtt s PHE 11 Cb -0.00 0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 2dtt s PHE 11 CO -0.08 -0.77 -0.07 -0.51 -0.05 0.00 0.00 175.22 173.74 2dtt s ASP 12 N -2.29 4.62 0.20 1.98 1.11 -1.26 -0.41 116.67 120.62 2dtt s ASP 12 Ca -0.03 -0.06 -0.15 0.00 0.18 0.00 0.00 52.55 52.49 2dtt s ASP 12 Cb -0.01 -1.28 0.01 0.00 1.07 0.00 0.00 42.92 42.72 2dtt s ASP 12 CO -0.06 0.32 0.48 0.00 1.18 0.00 0.00 175.17 177.09 2dtt s ALA 13 N -0.56 -0.65 0.13 5.23 0.00 -1.01 0.89 121.76 125.79 2dtt s ALA 13 Ca 0.08 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.66 2dtt s ALA 13 Cb -0.12 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 2dtt s ALA 13 CO 0.02 -0.80 -0.20 0.00 0.00 0.00 0.00 175.76 174.78 2dtt s ALA 14 N -3.92 1.95 -0.43 0.00 0.00 -0.58 0.69 121.76 119.46 2dtt s ALA 14 Ca 0.13 -1.37 0.04 0.00 0.00 0.00 0.00 51.96 50.76 2dtt s ALA 14 Cb -0.00 -0.23 0.28 0.00 0.00 0.00 0.00 23.12 23.16 2dtt s ALA 14 CO 0.01 0.33 1.07 -2.39 0.00 0.00 0.00 175.76 174.77 2dtt n HIS 15 N 0.73 -2.36 -5.07 0.00 1.44 -1.26 -0.04 115.22 108.65 2dtt n HIS 15 Ca -0.17 -1.53 -0.32 0.00 -2.01 0.00 0.00 57.72 53.70 2dtt n HIS 15 Cb 0.55 1.45 -0.15 0.00 0.12 0.00 0.00 29.99 31.96 2dtt n HIS 15 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 2dtt s VAL 26 N 0.40 2.55 -0.21 0.61 -7.23 -1.26 -4.89 120.40 110.37 2dtt s VAL 26 Ca 0.27 -0.90 -0.02 0.00 -1.81 0.00 0.00 61.98 59.52 2dtt s VAL 26 Cb 0.25 -1.97 0.06 0.00 0.56 0.00 0.00 36.38 35.28 2dtt s VAL 26 CO -0.16 0.57 0.03 -2.28 -0.31 0.00 0.00 175.10 172.95 2dtt s HIS 27 N -0.37 1.23 0.44 2.82 5.65 -1.26 -5.12 115.29 118.68 2dtt s HIS 27 Ca 0.03 -1.02 -0.25 0.00 0.25 0.00 0.00 55.06 54.07 2dtt s HIS 27 Cb -0.12 -1.13 -0.08 0.00 -1.18 0.00 0.00 32.58 30.06 2dtt s HIS 27 CO 0.02 -0.65 1.35 0.20 -0.65 0.00 0.00 174.74 175.01 2dtt s GLY 28 N 1.79 2.91 0.23 1.59 0.00 -1.26 -4.59 107.32 107.99 2dtt s GLY 28 Ca -0.01 1.31 0.02 0.00 0.00 0.00 0.00 44.72 46.05 2dtt s GLY 28 CO -0.09 1.89 0.03 0.30 0.00 0.00 0.00 173.10 175.23 2dtt s HIS 29 N -1.26 1.48 -0.30 1.90 0.09 0.22 -4.94 115.29 112.47 2dtt s HIS 29 Ca 0.61 -1.02 -0.07 0.00 -0.00 0.00 0.00 55.06 54.57 2dtt s HIS 29 Cb -0.40 -0.86 0.00 0.00 -0.00 0.00 0.00 32.58 31.32 2dtt s HIS 29 CO 0.51 -0.16 0.10 0.99 -0.00 0.00 0.00 174.74 176.17 2dtt s THR 30 N -3.57 4.13 -0.04 1.30 2.01 -1.26 -2.41 115.64 115.80 2dtt s THR 30 Ca 0.30 -0.61 -0.16 0.00 0.31 0.00 0.00 61.69 61.54 2dtt s THR 30 Cb 0.06 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.41 2dtt s THR 30 CO 0.09 0.09 0.42 -0.36 -0.69 0.00 0.00 174.62 174.16 2dtt s PHE 31 N 1.53 3.66 -0.20 4.92 0.40 0.45 -2.44 117.98 126.30 2dtt s PHE 31 Ca 0.03 0.94 -0.03 0.00 -0.60 0.00 0.00 56.93 57.28 2dtt s PHE 31 Cb -0.17 -2.36 -0.01 0.00 0.51 0.00 0.00 43.02 41.00 2dtt s PHE 31 CO 0.03 0.50 -0.06 -0.06 0.70 0.00 0.00 175.22 176.34 2dtt s PHE 32 N -0.57 2.93 -0.13 0.36 0.08 -0.81 -1.95 117.98 117.90 2dtt s PHE 32 Ca 0.24 -0.92 -0.01 0.00 0.12 0.00 0.00 56.93 56.35 2dtt s PHE 32 Cb -0.16 -2.06 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 2dtt s PHE 32 CO 0.12 -0.50 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.48 2dtt s LEU 33 N 1.29 3.00 -0.10 -0.37 2.96 0.46 -0.98 118.68 124.94 2dtt s LEU 33 Ca 0.03 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 2dtt s LEU 33 Cb -0.14 -1.69 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 2dtt s LEU 33 CO -0.03 0.20 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.27 2dtt s GLU 34 N 0.18 3.06 -0.09 1.98 2.12 0.23 -0.59 118.70 125.59 2dtt s GLU 34 Ca -0.05 -0.86 0.02 0.00 0.36 0.00 0.00 54.97 54.44 2dtt s GLU 34 Cb -0.14 -2.32 0.01 0.00 0.26 0.00 0.00 34.13 31.93 2dtt s GLU 34 CO 0.04 0.19 -0.15 0.08 -0.54 0.00 0.00 175.26 174.89 2dtt s VAL 35 N 0.31 1.39 -0.20 3.70 1.01 -0.22 -1.44 120.40 124.94 2dtt s VAL 35 Ca -0.17 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2dtt s VAL 35 Cb -0.18 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.95 2dtt s VAL 35 CO 0.08 0.41 -0.11 0.00 0.00 0.00 0.00 175.10 175.49 2dtt s ALA 36 N 0.78 2.62 -0.16 5.51 0.00 -0.60 -1.38 121.76 128.52 2dtt s ALA 36 Ca -0.11 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.63 2dtt s ALA 36 Cb -0.16 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 2dtt s ALA 36 CO 0.02 -0.38 -0.03 0.42 0.00 0.00 0.00 175.76 175.79 2dtt s ILE 37 N 1.37 3.91 -0.01 0.00 1.09 -0.49 -0.93 121.20 126.13 2dtt s ILE 37 Ca 0.05 -0.35 -0.01 0.00 -1.10 0.00 0.00 60.65 59.24 2dtt s ILE 37 Cb -0.14 -2.72 -0.04 0.00 -1.06 0.00 0.00 42.46 38.50 2dtt s ILE 37 CO -0.07 0.48 0.12 -0.70 -0.10 0.00 0.00 174.94 174.68 2dtt s GLU 38 N 0.48 3.22 -0.02 2.79 2.12 -0.05 -1.35 118.70 125.89 2dtt s GLU 38 Ca -0.03 -0.41 -0.08 0.00 0.36 0.00 0.00 54.97 54.80 2dtt s GLU 38 Cb -0.14 -2.96 0.03 0.00 0.26 0.00 0.00 34.13 31.32 2dtt s GLU 38 CO 0.03 0.66 0.37 0.41 -0.54 0.00 0.00 175.26 176.19 2dtt n GLY 39 N 1.11 0.42 3.88 -1.50 0.00 -0.83 -1.27 105.19 106.98 2dtt n GLY 39 Ca -0.12 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 2dtt n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dtt s GLU 40 N -2.00 3.40 -0.48 1.61 2.02 -1.26 -4.05 118.70 117.94 2dtt s GLU 40 Ca 0.09 -0.24 -0.28 0.00 0.02 0.00 0.00 54.97 54.56 2dtt s GLU 40 Cb -0.00 -3.12 -0.00 0.00 0.10 0.00 0.00 34.13 31.10 2dtt s GLU 40 CO -0.00 0.73 1.64 0.42 0.02 0.00 0.00 175.26 178.06 2dtt s ILE 41 N -1.15 3.61 -0.27 -1.63 1.01 -1.26 -4.36 121.20 117.16 2dtt s ILE 41 Ca 0.20 0.55 -0.02 0.00 0.00 0.00 0.00 60.65 61.38 2dtt s ILE 41 Cb -0.12 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.34 2dtt s ILE 41 CO 0.10 -0.80 -0.03 -0.54 0.00 0.00 0.00 174.94 173.67 2dtt s LYS 42 N 5.81 2.78 -1.29 2.79 1.02 0.15 -4.63 119.74 126.37 2dtt s LYS 42 Ca 0.66 -1.02 -0.03 0.00 0.02 0.00 0.00 55.97 55.59 2dtt s LYS 42 Cb -0.15 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.08 2dtt s LYS 42 CO 0.28 -0.45 0.95 0.09 -0.92 0.00 0.00 175.35 175.30 2dtt n ASN 43 N 4.69 -2.85 0.00 2.83 3.02 -1.26 -1.98 115.26 119.71 2dtt n ASN 43 Ca -0.15 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 2dtt n ASN 43 Cb 0.46 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 2dtt n ASN 43 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dtt n GLY 44 N -1.46 2.51 3.23 7.41 0.00 -1.26 -5.00 105.19 110.61 2dtt n GLY 44 Ca -0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 2dtt n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dtt s TYR 45 N -3.09 1.71 -0.20 1.61 1.51 -0.84 -5.00 117.35 113.05 2dtt s TYR 45 Ca 0.00 -0.37 -0.13 0.00 -1.01 0.00 0.00 57.07 55.56 2dtt s TYR 45 Cb 0.00 -1.02 -0.20 0.00 -0.11 0.00 0.00 41.96 40.63 2dtt s TYR 45 CO 0.00 0.08 0.10 0.28 -1.11 0.00 0.00 175.55 174.89 2dtt n VAL 46 N 1.90 1.60 0.00 0.71 0.31 -1.26 0.31 118.33 121.90 2dtt n VAL 46 Ca -0.17 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 2dtt n VAL 46 Cb 0.54 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 2dtt n VAL 46 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 2dtt n MET 47 N -4.00 0.00 -1.85 5.55 -0.00 -1.26 -4.79 117.12 110.77 2dtt n MET 47 Ca -0.38 0.00 -0.41 0.00 -0.00 0.00 0.00 57.70 56.91 2dtt n MET 47 Cb 0.86 0.00 -0.01 0.00 -0.00 0.00 0.00 33.22 34.07 2dtt n MET 47 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 2dtt s ASP 48 N 0.00 6.44 0.28 3.17 1.47 -1.26 -4.91 116.67 121.86 2dtt s ASP 48 Ca 0.00 2.90 0.02 0.00 1.18 0.00 0.00 52.55 56.65 2dtt s ASP 48 Cb 0.00 -2.64 0.62 0.00 -0.34 0.00 0.00 42.92 40.56 2dtt s ASP 48 CO 0.00 -0.84 1.76 -0.26 0.68 0.00 0.00 175.17 176.50 2dtt h PHE 49 N 4.45 0.85 -0.43 2.11 0.04 -1.99 -2.23 116.94 119.74 2dtt h PHE 49 Ca -0.48 0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.27 2dtt h PHE 49 Cb 1.22 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 39.12 2dtt h PHE 49 CO 0.58 0.17 0.01 1.25 -0.60 0.00 0.00 178.31 179.71 2dtt h LEU 50 N 0.64 0.65 -0.26 1.54 5.85 -1.98 0.24 115.31 121.99 2dtt h LEU 50 Ca 0.51 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 59.02 2dtt h LEU 50 Cb 0.78 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2dtt h LEU 50 CO -0.39 0.71 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.23 2dtt h GLU 51 N 0.65 0.54 0.14 1.25 4.81 -1.79 -0.85 114.58 119.32 2dtt h GLU 51 Ca 0.13 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2dtt h GLU 51 Cb 0.39 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2dtt h GLU 51 CO 0.01 0.78 -0.07 1.25 -0.73 0.00 0.00 179.01 180.25 2dtt h LEU 52 N 0.27 -0.16 -1.49 1.64 5.85 -1.28 -1.99 115.31 118.16 2dtt h LEU 52 Ca 0.06 -0.15 0.14 0.00 0.84 0.00 0.00 57.88 58.77 2dtt h LEU 52 Cb 0.60 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 2dtt h LEU 52 CO 0.03 0.05 0.52 -0.09 -0.34 0.00 0.00 178.44 178.62 2dtt h ARG 53 N -0.38 0.50 -0.35 1.25 2.43 -0.50 0.09 114.38 117.43 2dtt h ARG 53 Ca -0.02 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 2dtt h ARG 53 Cb 0.30 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2dtt h ARG 53 CO 0.03 0.33 -0.25 -0.22 -1.51 0.00 0.00 179.97 178.36 2dtt h LYS 54 N 0.52 0.78 -0.51 0.20 3.64 -0.89 -1.20 116.57 119.10 2dtt h LYS 54 Ca 0.38 -0.37 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2dtt h LYS 54 Cb 0.76 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 2dtt h LYS 54 CO -0.14 1.00 0.30 0.82 -2.27 0.00 0.00 179.45 179.16 2dtt h ILE 55 N 0.56 1.16 -0.11 2.00 2.04 -0.31 -1.68 117.51 121.16 2dtt h ILE 55 Ca 0.07 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 2dtt h ILE 55 Cb 0.81 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2dtt h ILE 55 CO 0.07 0.17 -0.00 0.58 0.00 0.00 0.00 178.15 178.96 2dtt h VAL 56 N 0.68 1.25 -0.45 1.67 2.07 -0.96 -3.10 116.25 117.41 2dtt h VAL 56 Ca 0.18 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 2dtt h VAL 56 Cb 0.01 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2dtt h VAL 56 CO -0.03 0.23 0.05 -0.33 0.02 0.00 0.00 177.57 177.51 2dtt h GLU 57 N -0.07 0.71 -0.09 1.57 5.08 -1.19 -0.51 114.58 120.08 2dtt h GLU 57 Ca 0.03 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2dtt h GLU 57 Cb 0.36 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2dtt h GLU 57 CO 0.01 0.69 0.10 0.93 -1.00 0.00 0.00 179.01 179.75 2dtt h GLU 58 N 0.68 0.00 0.05 2.33 4.39 -1.25 0.12 114.58 120.91 2dtt h GLU 58 Ca 0.14 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.54 2dtt h GLU 58 Cb 0.35 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 2dtt h GLU 58 CO 0.01 0.00 -1.64 -0.89 -1.16 0.00 0.00 179.01 175.32 2dtt n ILE 59 N -3.80 1.64 0.22 3.13 5.41 -0.60 -4.26 119.36 121.11 2dtt n ILE 59 Ca -0.01 -0.31 0.06 0.00 1.00 0.00 0.00 62.75 63.49 2dtt n ILE 59 Cb 0.20 -1.90 0.51 0.00 -0.71 0.00 0.00 39.64 37.75 2dtt n ILE 59 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2dtt h THR 60 N -0.54 1.07 0.00 1.39 1.35 -0.61 -2.53 112.91 113.03 2dtt h THR 60 Ca -0.40 -0.71 -0.00 0.00 -0.55 0.00 0.00 66.41 64.74 2dtt h THR 60 Cb 1.63 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 69.44 2dtt h THR 60 CO -0.09 0.20 -0.02 0.07 -0.25 0.00 0.00 175.52 175.42 2dtt h LYS 61 N 0.00 0.00 0.00 4.72 2.10 -0.96 -0.65 116.57 121.78 2dtt h LYS 61 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2dtt h LYS 61 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2dtt h LYS 61 CO 0.03 0.02 0.00 0.93 -2.00 0.00 0.00 179.45 178.43 2dtt h GLU 62 N 0.00 0.00 0.00 0.07 5.08 -1.65 -3.19 114.58 114.88 2dtt h GLU 62 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dtt h GLU 62 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2dtt h GLU 62 CO 0.00 0.00 -1.59 1.28 -1.00 0.00 0.00 179.01 177.71 2dtt n LEU 63 N -3.06 0.05 -4.68 1.33 4.77 -0.44 -4.89 117.00 110.08 2dtt n LEU 63 Ca 0.02 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.53 2dtt n LEU 63 Cb 0.39 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 2dtt n LEU 63 CO 0.30 0.01 1.52 -0.67 -1.33 0.00 0.00 177.39 177.22 2dtt n ASP 64 N -1.95 4.03 -1.23 -1.43 2.03 -0.38 -2.13 116.55 115.49 2dtt n ASP 64 Ca -0.02 0.96 -0.14 0.00 0.52 0.00 0.00 54.79 56.11 2dtt n ASP 64 Cb 0.37 -1.52 -0.04 0.00 -0.72 0.00 0.00 41.12 39.20 2dtt n ASP 64 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2dtt n HIS 65 N 6.40 -0.23 -4.10 -0.67 8.25 0.26 -4.98 115.22 120.16 2dtt n HIS 65 Ca 0.19 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.42 2dtt n HIS 65 Cb 0.38 -2.63 -0.07 0.00 1.12 0.00 0.00 29.99 28.80 2dtt n HIS 65 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2dtt s ARG 66 N -3.69 2.30 -0.31 -0.41 1.81 -0.90 -4.97 118.95 112.77 2dtt s ARG 66 Ca 0.00 -1.67 -0.15 0.00 -1.72 0.00 0.00 55.73 52.19 2dtt s ARG 66 Cb 0.00 -2.09 -0.02 0.00 -0.45 0.00 0.00 34.95 32.38 2dtt s ARG 66 CO 0.00 0.02 0.34 1.21 -0.68 0.00 0.00 175.30 176.19 2dtt s ASN 67 N -3.87 6.18 0.44 0.23 3.84 -1.26 -1.53 114.94 118.97 2dtt s ASN 67 Ca 0.39 -0.06 0.31 0.00 0.21 0.00 0.00 52.86 53.70 2dtt s ASN 67 Cb -0.00 -2.19 1.41 0.00 -0.55 0.00 0.00 41.25 39.91 2dtt s ASN 67 CO 0.23 -0.26 1.92 -0.07 -2.79 0.00 0.00 177.10 176.12 2dtt h LEU 68 N 8.66 0.00 -0.18 3.21 3.38 -0.82 -2.38 115.31 127.18 2dtt h LEU 68 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2dtt h LEU 68 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2dtt h LEU 68 CO 0.66 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.78 2dtt n ASN 69 N -2.68 0.17 0.01 -0.43 3.02 -1.26 -0.40 115.26 113.68 2dtt n ASN 69 Ca 0.00 0.54 0.11 0.00 -0.03 0.00 0.00 54.58 55.20 2dtt n ASN 69 Cb 0.20 -0.58 -0.07 0.00 -0.61 0.00 0.00 39.78 38.72 2dtt n ASN 69 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2dtt n ASN 70 N -1.68 0.63 -0.04 6.41 5.03 -0.89 -4.45 115.26 120.27 2dtt n ASN 70 Ca 0.03 -0.50 -0.03 0.00 0.87 0.00 0.00 54.58 54.95 2dtt n ASN 70 Cb 0.18 1.12 -0.06 0.00 -1.02 0.00 0.00 39.78 39.99 2dtt n ASN 70 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2dtt n ILE 71 N -1.81 0.50 -4.90 2.41 3.06 -0.83 -5.01 119.36 112.78 2dtt n ILE 71 Ca 0.02 -0.32 -0.33 0.00 -2.50 0.00 0.00 62.75 59.61 2dtt n ILE 71 Cb 0.42 -0.69 -0.13 0.00 0.54 0.00 0.00 39.64 39.77 2dtt n ILE 71 CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 2dtt s PHE 72 N -2.23 2.70 0.21 9.51 0.08 0.47 -5.01 117.98 123.71 2dtt s PHE 72 Ca -0.04 -0.21 -0.09 0.00 0.12 0.00 0.00 56.93 56.71 2dtt s PHE 72 Cb 0.03 -1.64 0.20 0.00 -0.57 0.00 0.00 43.02 41.03 2dtt s PHE 72 CO 0.33 0.15 1.87 1.49 -0.10 0.00 0.00 175.22 178.95 2dtt h GLU 73 N 5.46 0.94 -2.44 0.44 4.81 -1.87 -3.37 114.58 118.55 2dtt h GLU 73 Ca -0.45 -0.06 -0.46 0.00 -0.13 0.00 0.00 59.36 58.26 2dtt h GLU 73 Cb 1.16 -0.21 -0.37 0.00 0.63 0.00 0.00 28.75 29.96 2dtt h GLU 73 CO 0.51 0.62 -0.74 1.21 -0.73 0.00 0.00 179.01 179.87 2dtt s ASN 74 N -5.82 2.53 -0.89 1.04 2.47 -1.26 -5.04 114.94 107.97 2dtt s ASN 74 Ca -0.13 -1.41 -0.05 0.00 0.42 0.00 0.00 52.86 51.69 2dtt s ASN 74 Cb 0.16 0.01 -0.05 0.00 -1.45 0.00 0.00 41.25 39.92 2dtt s ASN 74 CO 0.78 -0.37 2.07 -0.81 -3.72 0.00 0.00 177.10 175.05 2dtt n PRO 75 N 4.82 2.02 -2.35 0.43 -0.04 -1.26 -4.76 135.00 133.86 2dtt n PRO 75 Ca 0.02 -1.43 -0.32 0.00 -0.04 0.00 0.00 63.50 61.74 2dtt n PRO 75 Cb 0.42 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.42 2dtt n PRO 75 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2dtt s THR 76 N 3.46 4.56 0.40 0.52 -4.23 -1.26 -4.88 115.64 114.21 2dtt s THR 76 Ca 0.38 1.16 0.08 0.00 -1.18 0.00 0.00 61.69 62.14 2dtt s THR 76 Cb 0.10 -3.74 0.29 0.00 1.34 0.00 0.00 72.50 70.49 2dtt s THR 76 CO -0.03 -0.74 2.00 0.74 -0.54 0.00 0.00 174.62 176.05 2dtt h THR 77 N 0.77 1.02 0.29 3.99 2.02 -1.98 -1.09 112.91 117.94 2dtt h THR 77 Ca -0.46 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 2dtt h THR 77 Cb 1.19 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2dtt h THR 77 CO 0.62 0.11 -0.14 -0.33 0.37 0.00 0.00 175.52 176.14 2dtt h GLU 78 N 0.60 -0.38 -0.73 6.66 3.07 -1.96 -0.58 114.58 121.25 2dtt h GLU 78 Ca 0.24 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.10 2dtt h GLU 78 Cb 0.21 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 2dtt h GLU 78 CO -0.07 -0.22 0.35 -0.91 -1.40 0.00 0.00 179.01 176.76 2dtt h ASN 79 N -0.45 0.95 -0.38 1.42 2.35 -1.68 0.88 115.58 118.68 2dtt h ASN 79 Ca -0.04 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.57 2dtt h ASN 79 Cb 0.34 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2dtt h ASN 79 CO 0.07 0.81 0.13 0.40 -1.65 0.00 0.00 177.43 177.18 2dtt h ILE 80 N 1.04 1.21 -0.48 2.81 2.04 -1.14 -0.53 117.51 122.46 2dtt h ILE 80 Ca 0.25 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.47 2dtt h ILE 80 Cb 0.11 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2dtt h ILE 80 CO -0.03 0.23 0.30 0.00 0.00 0.00 0.00 178.15 178.65 2dtt h ALA 81 N 0.97 0.61 0.04 1.87 0.00 -0.57 -0.85 119.26 121.33 2dtt h ALA 81 Ca 0.12 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2dtt h ALA 81 Cb 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2dtt h ALA 81 CO -0.01 0.01 -0.13 -0.07 0.00 0.00 0.00 179.25 179.06 2dtt h LEU 82 N 0.61 -0.37 -0.00 0.00 3.38 -0.50 -0.71 115.31 117.72 2dtt h LEU 82 Ca 0.18 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.23 2dtt h LEU 82 Cb -0.03 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2dtt h LEU 82 CO -0.06 -0.19 -0.23 -0.25 0.09 0.00 0.00 178.44 177.80 2dtt h TRP 83 N -0.24 -0.60 -0.78 1.13 7.01 -0.82 -1.24 115.95 120.41 2dtt h TRP 83 Ca 0.03 0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.18 2dtt h TRP 83 Cb 0.28 0.27 -0.09 0.00 -2.10 0.00 0.00 29.16 27.52 2dtt h TRP 83 CO -0.17 -0.31 0.38 0.82 -2.79 0.00 0.00 178.44 176.36 2dtt h ILE 84 N -0.35 0.74 -0.58 2.65 2.04 -0.93 -0.38 117.51 120.69 2dtt h ILE 84 Ca 0.06 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2dtt h ILE 84 Cb 0.44 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2dtt h ILE 84 CO -0.21 0.10 0.31 1.23 0.00 0.00 0.00 178.15 179.59 2dtt h GLY 85 N 0.57 0.87 0.99 5.37 0.00 -0.38 0.25 103.07 110.73 2dtt h GLY 85 Ca 0.42 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 2dtt h GLY 85 CO -0.35 0.38 0.08 0.83 0.00 0.00 0.00 176.54 177.49 2dtt h GLU 86 N 0.79 0.83 -0.71 4.80 4.39 -0.17 0.36 114.58 124.87 2dtt h GLU 86 Ca 0.20 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 2dtt h GLU 86 Cb 0.06 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 2dtt h GLU 86 CO -0.03 0.83 0.16 0.00 -1.16 0.00 0.00 179.01 178.81 2dtt h ARG 87 N 0.71 1.14 0.37 2.33 2.47 -0.90 -1.83 114.38 118.65 2dtt h ARG 87 Ca 0.15 -0.28 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 2dtt h ARG 87 Cb 0.40 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2dtt h ARG 87 CO 0.01 1.01 -0.18 0.82 0.56 0.00 0.00 179.97 182.19 2dtt h ILE 88 N 1.08 0.62 -0.91 2.04 2.04 -0.74 -3.08 117.51 118.55 2dtt h ILE 88 Ca 0.22 -0.45 0.26 0.00 1.00 0.00 0.00 64.86 65.89 2dtt h ILE 88 Cb 0.39 0.84 -0.15 0.00 -0.74 0.00 0.00 36.82 37.15 2dtt h ILE 88 CO 0.00 0.08 0.23 -0.09 0.00 0.00 0.00 178.15 178.38 2dtt h ARG 89 N -0.76 0.16 0.00 2.37 2.43 -0.76 0.34 114.38 118.16 2dtt h ARG 89 Ca -0.05 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2dtt h ARG 89 Cb 0.51 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2dtt h ARG 89 CO 0.08 0.10 -0.00 0.22 -1.51 0.00 0.00 179.97 178.86 2dtt h ASP 90 N 0.16 0.00 0.00 -3.80 3.58 -1.25 -3.15 116.42 111.96 2dtt h ASP 90 Ca 0.59 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.04 2dtt h ASP 90 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2dtt h ASP 90 CO -0.71 0.00 -0.67 0.29 -2.88 0.00 0.00 179.24 175.28 2dtt n LYS 91 N -3.09 2.73 -1.42 0.28 4.76 0.11 -5.02 118.16 116.51 2dtt n LYS 91 Ca -0.01 -0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.09 2dtt n LYS 91 Cb 0.17 -1.10 0.08 0.00 -1.84 0.00 0.00 35.03 32.35 2dtt n LYS 91 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dtt s LEU 92 N -2.69 3.20 0.84 -0.35 1.43 -0.88 -5.00 118.68 115.22 2dtt s LEU 92 Ca 0.04 2.05 -0.10 0.00 -1.03 0.00 0.00 54.13 55.08 2dtt s LEU 92 Cb 0.09 -4.55 0.10 0.00 0.03 0.00 0.00 46.19 41.86 2dtt s LEU 92 CO 0.50 -2.06 1.11 -2.84 0.23 0.00 0.00 176.35 173.29 2dtt s PRO 93 N -4.36 1.70 0.28 1.29 0.02 -1.26 -4.96 135.00 127.71 2dtt s PRO 93 Ca 0.67 1.25 0.02 0.00 0.02 0.00 0.00 61.00 62.96 2dtt s PRO 93 Cb -0.22 -1.83 0.66 0.00 0.02 0.00 0.00 34.50 33.13 2dtt s PRO 93 CO 0.48 -2.06 1.71 -1.35 -0.33 0.00 0.00 177.00 175.45 2dtt h PRO 94 N -1.44 0.42 -1.96 5.54 0.11 -2.00 -3.14 132.00 129.52 2dtt h PRO 94 Ca -0.44 -0.03 -0.74 0.00 0.11 0.00 0.00 66.00 64.90 2dtt h PRO 94 Cb 1.25 -0.09 -0.30 0.00 0.11 0.00 0.00 31.00 31.96 2dtt h PRO 94 CO 0.48 0.28 0.69 0.66 -0.21 0.00 0.00 178.00 179.90 2dtt n TYR 95 N -5.02 3.07 -3.58 0.65 4.02 -1.26 -4.94 117.16 110.09 2dtt n TYR 95 Ca 0.20 -2.56 -0.15 0.00 -0.01 0.00 0.00 57.90 55.39 2dtt n TYR 95 Cb 0.58 -0.97 -0.06 0.00 -0.02 0.00 0.00 39.34 38.87 2dtt n TYR 95 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2dtt s VAL 96 N -5.03 0.03 0.05 -0.72 1.01 -1.19 -4.58 120.40 109.96 2dtt s VAL 96 Ca 0.49 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.28 2dtt s VAL 96 Cb 0.39 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 2dtt s VAL 96 CO -0.33 -0.12 -0.08 -1.59 0.00 0.00 0.00 175.10 172.98 2dtt s LYS 97 N -2.02 0.55 -0.18 2.72 -2.85 -0.40 -4.81 119.74 112.75 2dtt s LYS 97 Ca -0.08 -0.79 -0.29 0.00 -1.00 0.00 0.00 55.97 53.82 2dtt s LYS 97 Cb -0.01 -0.32 -0.01 0.00 -2.06 0.00 0.00 37.83 35.43 2dtt s LYS 97 CO 0.02 0.05 1.28 -1.17 0.10 0.00 0.00 175.35 175.63 2dtt s LEU 98 N -1.63 4.15 -0.27 2.77 2.96 -1.26 -0.87 118.68 124.52 2dtt s LEU 98 Ca -0.09 1.65 -0.13 0.00 -0.22 0.00 0.00 54.13 55.34 2dtt s LEU 98 Cb -0.10 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.93 2dtt s LEU 98 CO 0.00 -0.81 -0.30 1.17 -1.32 0.00 0.00 176.35 175.10 2dtt n LYS 99 N 6.72 0.60 -3.86 1.98 3.00 -0.11 -4.59 118.16 121.90 2dtt n LYS 99 Ca 0.14 0.27 -0.11 0.00 -0.00 0.00 0.00 58.31 58.61 2dtt n LYS 99 Cb 0.45 -1.51 -0.11 0.00 0.00 0.00 0.00 35.03 33.86 2dtt n LYS 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2dtt s ARG 100 N -2.50 0.39 -0.09 1.64 3.52 -1.01 -0.22 118.95 120.67 2dtt s ARG 100 Ca -0.38 -0.22 -0.01 0.00 -0.13 0.00 0.00 55.73 54.99 2dtt s ARG 100 Cb 0.14 0.16 0.03 0.00 -1.56 0.00 0.00 34.95 33.72 2dtt s ARG 100 CO 0.51 -0.08 -0.00 0.08 -0.81 0.00 0.00 175.30 175.00 2dtt s VAL 101 N -0.94 0.46 -0.16 7.11 1.01 0.53 -1.56 120.40 126.85 2dtt s VAL 101 Ca -0.10 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2dtt s VAL 101 Cb -0.06 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.69 2dtt s VAL 101 CO 0.01 0.20 -0.19 -0.69 0.00 0.00 0.00 175.10 174.42 2dtt s VAL 102 N 1.93 1.96 -0.17 2.92 1.01 -0.52 0.02 120.40 127.54 2dtt s VAL 102 Ca 0.04 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2dtt s VAL 102 Cb -0.13 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.50 2dtt s VAL 102 CO -0.06 0.53 -0.17 -0.22 0.00 0.00 0.00 175.10 175.17 2dtt s LEU 103 N 1.20 2.05 -0.22 3.92 2.96 -0.21 -0.60 118.68 127.79 2dtt s LEU 103 Ca 0.02 -0.64 -0.10 0.00 -0.22 0.00 0.00 54.13 53.19 2dtt s LEU 103 Cb -0.14 -1.38 -0.05 0.00 0.50 0.00 0.00 46.19 45.13 2dtt s LEU 103 CO -0.10 -0.03 0.13 0.26 -1.32 0.00 0.00 176.35 175.29 2dtt s TRP 104 N 1.35 3.32 -1.17 5.38 0.52 -0.15 -0.24 118.94 127.94 2dtt s TRP 104 Ca 0.04 0.19 -0.13 0.00 0.02 0.00 0.00 56.10 56.23 2dtt s TRP 104 Cb -0.13 -2.20 0.20 0.00 -1.15 0.00 0.00 33.47 30.18 2dtt s TRP 104 CO -0.12 0.12 1.33 -2.00 0.02 0.00 0.00 176.95 176.30 2dtt s GLU 105 N 0.78 4.11 0.00 4.98 2.12 0.26 -1.92 118.70 129.02 2dtt s GLU 105 Ca 0.07 -2.74 0.00 0.00 0.36 0.00 0.00 54.97 52.66 2dtt s GLU 105 Cb -0.13 -4.92 0.00 0.00 0.26 0.00 0.00 34.13 29.35 2dtt s GLU 105 CO 0.02 -1.62 0.00 0.41 -0.54 0.00 0.00 175.26 173.53 2dtt n GLY 106 N 3.76 0.12 0.13 -1.50 0.00 -1.02 -4.18 105.19 102.50 2dtt n GLY 106 Ca 0.33 -1.87 0.12 0.00 0.00 0.00 0.00 46.02 44.61 2dtt n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dtt h LYS 107 N 0.00 0.00 0.00 1.61 1.57 -1.88 -3.33 116.57 114.54 2dtt h LYS 107 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dtt h LYS 107 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2dtt h LYS 107 CO 0.00 0.00 -0.74 -0.25 -0.57 0.00 0.00 179.45 177.89 2dtt n ASP 108 N -2.30 0.73 -3.94 0.86 8.00 -1.26 -4.99 116.55 113.65 2dtt n ASP 108 Ca 0.03 -0.80 -0.18 0.00 0.71 0.00 0.00 54.79 54.55 2dtt n ASP 108 Cb 0.30 1.03 -0.15 0.00 -0.02 0.00 0.00 41.12 42.28 2dtt n ASP 108 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2dtt s ASN 109 N -2.44 0.80 0.29 -2.24 0.01 -1.25 -5.06 114.94 105.05 2dtt s ASN 109 Ca 0.05 -0.12 -0.09 0.00 -0.71 0.00 0.00 52.86 51.99 2dtt s ASN 109 Cb 0.11 -0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.56 2dtt s ASN 109 CO 0.60 0.03 0.51 -0.83 -1.51 0.00 0.00 177.10 175.89 2dtt s GLY 110 N 0.26 0.85 -0.10 0.66 0.00 -1.26 0.91 107.32 108.65 2dtt s GLY 110 Ca -0.03 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.62 2dtt s GLY 110 CO -0.00 -0.73 -0.15 0.14 0.00 0.00 0.00 173.10 172.36 2dtt s VAL 111 N -3.50 1.45 -0.18 1.40 1.01 0.67 -4.96 120.40 116.29 2dtt s VAL 111 Ca 0.25 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 2dtt s VAL 111 Cb -0.01 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 2dtt s VAL 111 CO 0.13 0.43 -0.04 -0.70 0.00 0.00 0.00 175.10 174.92 2dtt s GLU 112 N 0.84 3.53 -0.14 2.72 2.12 -1.26 -1.04 118.70 125.47 2dtt s GLU 112 Ca -0.10 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.67 2dtt s GLU 112 Cb -0.15 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.30 2dtt s GLU 112 CO 0.01 0.06 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.08 2dtt s LEU 113 N 0.83 2.25 -0.07 2.70 1.43 0.10 -4.98 118.68 120.93 2dtt s LEU 113 Ca -0.01 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2dtt s LEU 113 Cb -0.15 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.60 2dtt s LEU 113 CO 0.02 0.09 -0.11 -0.70 0.23 0.00 0.00 176.35 175.88 2dtt s GLU 114 N 0.78 1.60 0.00 1.70 2.12 -1.26 -0.34 118.70 123.29 2dtt s GLU 114 Ca -0.07 -0.35 0.18 0.00 0.36 0.00 0.00 54.97 55.08 2dtt s GLU 114 Cb -0.16 -1.41 0.14 0.00 0.26 0.00 0.00 34.13 32.97 2dtt s GLU 114 CO -0.00 -0.05 1.06 0.91 -0.54 0.00 0.00 175.26 176.64