#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 2.41 -0.05 2.12 3.01 -1.26 -5.12 119.74 120.85 2dtt s LYS 2 Ca 0.00 -0.78 0.04 0.00 -1.01 0.00 0.00 55.97 54.23 2dtt s LYS 2 Cb 0.00 -2.38 -0.00 0.00 -1.01 0.00 0.00 37.83 34.44 2dtt s LYS 2 CO 0.00 0.60 -0.18 -1.54 0.51 0.00 0.00 175.35 174.74 2dtt s SER 3 N -1.16 2.23 0.03 2.83 1.04 -1.26 -5.10 113.70 112.30 2dtt s SER 3 Ca 0.14 -0.37 -0.01 0.00 0.48 0.00 0.00 55.95 56.20 2dtt s SER 3 Cb -0.11 -0.64 -0.02 0.00 0.10 0.00 0.00 66.02 65.35 2dtt s SER 3 CO 0.04 0.16 -0.02 -0.13 0.98 0.00 0.00 173.24 174.27 2dtt s ARG 4 N 0.05 0.39 0.00 4.02 0.52 -1.26 -2.34 118.95 120.32 2dtt s ARG 4 Ca -0.04 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.43 2dtt s ARG 4 Cb -0.12 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.45 2dtt s ARG 4 CO 0.02 -0.07 0.05 0.96 0.02 0.00 0.00 175.30 176.29 2dtt s ILE 5 N -2.01 4.53 -0.07 1.52 -4.36 -0.26 -4.90 121.20 115.65 2dtt s ILE 5 Ca -0.11 -0.49 0.04 0.00 -0.26 0.00 0.00 60.65 59.83 2dtt s ILE 5 Cb -0.06 -3.06 0.00 0.00 1.25 0.00 0.00 42.46 40.59 2dtt s ILE 5 CO -0.03 0.34 -0.19 -0.63 0.24 0.00 0.00 174.94 174.67 2dtt s ILE 6 N -1.17 1.63 -0.11 8.37 1.01 -1.26 -1.00 121.20 128.67 2dtt s ILE 6 Ca 0.22 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.10 2dtt s ILE 6 Cb -0.12 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.94 2dtt s ILE 6 CO 0.13 0.46 -0.21 0.68 0.00 0.00 0.00 174.94 176.01 2dtt s VAL 7 N 0.23 1.89 -0.08 2.92 -7.23 -0.31 -4.96 120.40 112.86 2dtt s VAL 7 Ca -0.10 -0.90 -0.01 0.00 -1.81 0.00 0.00 61.98 59.15 2dtt s VAL 7 Cb -0.15 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 2dtt s VAL 7 CO 0.05 0.52 -0.02 -0.13 -0.31 0.00 0.00 175.10 175.21 2dtt s ARG 8 N 0.61 2.91 0.27 4.82 0.52 -1.26 -1.38 118.95 125.44 2dtt s ARG 8 Ca -0.13 -0.45 -0.12 0.00 -0.52 0.00 0.00 55.73 54.51 2dtt s ARG 8 Cb -0.17 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.58 2dtt s ARG 8 CO 0.04 0.69 0.52 -0.08 0.02 0.00 0.00 175.30 176.49 2dtt s THR 9 N -0.86 0.00 0.13 0.02 -1.32 -0.08 -5.01 115.64 108.52 2dtt s THR 9 Ca 0.13 -1.37 -0.09 0.00 -1.21 0.00 0.00 61.69 59.15 2dtt s THR 9 Cb -0.11 -2.30 -0.01 0.00 -1.51 0.00 0.00 72.50 68.57 2dtt s THR 9 CO 0.02 0.00 0.24 -0.94 -2.21 0.00 0.00 174.62 171.73 2dtt s SER 10 N -3.05 0.08 0.13 8.08 1.04 -1.26 -0.03 113.70 118.70 2dtt s SER 10 Ca 0.22 -0.77 -0.21 0.00 0.48 0.00 0.00 55.95 55.67 2dtt s SER 10 Cb -0.01 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.55 2dtt s SER 10 CO 0.11 -0.81 0.54 0.72 0.98 0.00 0.00 173.24 174.78 2dtt s PHE 11 N -3.92 -0.44 0.22 5.02 -0.12 -0.69 -4.98 117.98 113.06 2dtt s PHE 11 Ca 0.11 0.26 0.06 0.00 -0.05 0.00 0.00 56.93 57.32 2dtt s PHE 11 Cb 0.04 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 2dtt s PHE 11 CO -0.05 -0.78 0.16 -0.51 -0.05 0.00 0.00 175.22 173.99 2dtt s ASP 12 N -2.62 5.46 -0.26 1.98 1.01 -1.26 0.52 116.67 121.51 2dtt s ASP 12 Ca 0.00 -0.23 -0.29 0.00 0.71 0.00 0.00 52.55 52.75 2dtt s ASP 12 Cb -0.00 -1.39 0.18 0.00 1.01 0.00 0.00 42.92 42.72 2dtt s ASP 12 CO -0.11 0.01 1.27 0.00 0.21 0.00 0.00 175.17 176.55 2dtt s ALA 13 N -1.99 -2.08 0.17 5.23 0.00 -1.02 -0.43 121.76 121.65 2dtt s ALA 13 Ca 0.32 1.81 0.07 0.00 0.00 0.00 0.00 51.96 54.15 2dtt s ALA 13 Cb -0.09 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 2dtt s ALA 13 CO 0.24 -0.25 0.03 0.00 0.00 0.00 0.00 175.76 175.78 2dtt s ALA 14 N -0.96 3.28 -0.10 0.00 0.00 -0.50 -2.21 121.76 121.28 2dtt s ALA 14 Ca 0.06 -1.34 -0.33 0.00 0.00 0.00 0.00 51.96 50.36 2dtt s ALA 14 Cb -0.01 -1.07 0.13 0.00 0.00 0.00 0.00 23.12 22.16 2dtt s ALA 14 CO -0.06 0.48 1.23 -3.38 0.00 0.00 0.00 175.76 174.04 2dtt s HIS 15 N -1.74 -0.09 -0.04 0.00 -3.43 -0.99 -0.46 115.29 108.54 2dtt s HIS 15 Ca 0.28 0.01 0.03 0.00 -0.80 0.00 0.00 55.06 54.58 2dtt s HIS 15 Cb -0.09 0.53 0.00 0.00 -1.43 0.00 0.00 32.58 31.59 2dtt s HIS 15 CO 0.20 -0.26 -0.11 0.00 -2.00 0.00 0.00 174.74 172.57 2dtt s ALA 16 N -2.46 1.02 0.42 -1.38 0.00 -1.26 -2.63 121.76 115.47 2dtt s ALA 16 Ca 0.12 -0.38 -0.15 0.00 0.00 0.00 0.00 51.96 51.54 2dtt s ALA 16 Cb 0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 23.12 22.66 2dtt s ALA 16 CO -0.04 0.15 0.85 0.14 0.00 0.00 0.00 175.76 176.86 2dtt s VAL 17 N 0.29 4.62 -0.46 0.00 -7.23 -1.26 -4.71 120.40 111.64 2dtt s VAL 17 Ca -0.06 1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 60.84 2dtt s VAL 17 Cb -0.11 -3.67 0.02 0.00 0.56 0.00 0.00 36.38 33.18 2dtt s VAL 17 CO 0.01 -0.44 1.28 -0.75 -0.31 0.00 0.00 175.10 174.89 2dtt s LYS 18 N -3.56 3.61 -0.87 4.82 2.20 -1.26 -2.26 119.74 122.42 2dtt s LYS 18 Ca 0.56 0.69 0.01 0.00 -0.36 0.00 0.00 55.97 56.87 2dtt s LYS 18 Cb -0.10 -3.98 0.30 0.00 -1.51 0.00 0.00 37.83 32.54 2dtt s LYS 18 CO 0.24 -1.53 1.26 1.55 -0.36 0.00 0.00 175.35 176.52 2dtt n VAL 19 N 6.95 4.31 0.00 4.02 3.14 -0.89 -4.97 118.33 130.89 2dtt n VAL 19 Ca 0.14 -5.70 0.00 0.00 -2.96 0.00 0.00 64.34 55.82 2dtt n VAL 19 Cb 0.49 -1.88 0.00 0.00 -1.06 0.00 0.00 33.84 31.39 2dtt n VAL 19 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2dtt n GLY 20 N 0.67 0.89 0.09 7.55 0.00 -1.26 -4.16 105.19 108.97 2dtt n GLY 20 Ca 0.32 -1.06 0.06 0.00 0.00 0.00 0.00 46.02 45.34 2dtt n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dtt n ASP 21 N 0.00 0.83 -0.07 1.61 2.03 -1.26 -5.00 116.55 114.69 2dtt n ASP 21 Ca 0.00 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.39 2dtt n ASP 21 Cb 0.00 0.84 0.00 0.00 -0.72 0.00 0.00 41.12 41.24 2dtt n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dtt n HIS 22 N -0.95 -0.02 -4.08 -0.67 1.44 -1.26 -5.16 115.22 104.53 2dtt n HIS 22 Ca 0.03 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.61 2dtt n HIS 22 Cb 0.22 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.21 2dtt n HIS 22 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2dtt s TRP 23 N 1.11 0.73 0.86 -1.40 0.52 -1.26 -2.11 118.94 117.39 2dtt s TRP 23 Ca 0.00 -0.51 -0.11 0.00 0.02 0.00 0.00 56.10 55.50 2dtt s TRP 23 Cb 0.00 -0.43 0.16 0.00 -1.15 0.00 0.00 33.47 32.05 2dtt s TRP 23 CO 0.00 -0.07 1.20 -2.00 0.02 0.00 0.00 176.95 176.10 2dtt s GLU 24 N -1.68 1.18 0.31 4.98 2.56 -0.96 -4.88 118.70 120.21 2dtt s GLU 24 Ca -0.08 -0.50 -0.29 0.00 0.00 0.00 0.00 54.97 54.09 2dtt s GLU 24 Cb -0.09 -2.00 -0.11 0.00 2.00 0.00 0.00 34.13 33.93 2dtt s GLU 24 CO 0.00 -1.98 1.47 -0.51 -0.56 0.00 0.00 175.26 173.69 2dtt s ASP 25 N -4.78 6.50 0.23 -1.70 1.01 -1.26 -4.58 116.67 112.09 2dtt s ASP 25 Ca 0.69 2.86 -0.30 0.00 0.71 0.00 0.00 52.55 56.52 2dtt s ASP 25 Cb -0.06 -2.64 -0.09 0.00 1.01 0.00 0.00 42.92 41.14 2dtt s ASP 25 CO 0.50 -0.78 1.28 0.54 0.21 0.00 0.00 175.17 176.92 2dtt s VAL 26 N -0.54 3.16 0.01 -1.27 0.11 -1.26 -4.71 120.40 115.90 2dtt s VAL 26 Ca 0.57 1.01 -0.16 0.00 -2.93 0.00 0.00 61.98 60.47 2dtt s VAL 26 Cb -0.45 -3.64 0.03 0.00 -1.53 0.00 0.00 36.38 30.79 2dtt s VAL 26 CO 0.52 0.18 0.34 -1.38 -3.33 0.00 0.00 175.10 171.43 2dtt s HIS 27 N -0.25 -0.19 0.24 1.54 -3.43 -1.08 -4.95 115.29 107.17 2dtt s HIS 27 Ca 0.54 0.21 0.06 0.00 -0.80 0.00 0.00 55.06 55.06 2dtt s HIS 27 Cb -0.36 0.13 -0.03 0.00 -1.43 0.00 0.00 32.58 30.88 2dtt s HIS 27 CO 0.41 -0.46 0.30 0.20 -2.00 0.00 0.00 174.74 173.19 2dtt s GLY 28 N -1.65 1.30 0.14 -1.38 0.00 -1.26 -2.34 107.32 102.13 2dtt s GLY 28 Ca -0.10 -1.29 -0.15 0.00 0.00 0.00 0.00 44.72 43.19 2dtt s GLY 28 CO 0.01 -1.31 0.40 0.30 0.00 0.00 0.00 173.10 172.50 2dtt s HIS 29 N -2.02 -0.08 -0.26 1.90 3.76 -0.94 -5.00 115.29 112.65 2dtt s HIS 29 Ca 0.34 -0.26 -0.10 0.00 -0.15 0.00 0.00 55.06 54.88 2dtt s HIS 29 Cb -0.09 0.22 -0.05 0.00 1.11 0.00 0.00 32.58 33.78 2dtt s HIS 29 CO 0.28 -0.74 0.16 0.99 -0.85 0.00 0.00 174.74 174.58 2dtt s THR 30 N -3.85 5.18 -0.07 1.30 2.01 -1.26 -2.43 115.64 116.53 2dtt s THR 30 Ca 0.06 0.12 -0.15 0.00 0.31 0.00 0.00 61.69 62.04 2dtt s THR 30 Cb 0.02 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 2dtt s THR 30 CO -0.08 0.30 0.39 -0.36 -0.69 0.00 0.00 174.62 174.17 2dtt s PHE 31 N 1.48 3.62 -0.23 4.92 0.08 0.19 -1.96 117.98 126.08 2dtt s PHE 31 Ca 0.07 0.87 -0.05 0.00 0.12 0.00 0.00 56.93 57.94 2dtt s PHE 31 Cb -0.15 -2.35 -0.01 0.00 -0.57 0.00 0.00 43.02 39.94 2dtt s PHE 31 CO 0.08 0.45 -0.01 -0.06 -0.10 0.00 0.00 175.22 175.58 2dtt s PHE 32 N -0.36 3.00 -0.15 0.36 0.08 0.28 -1.71 117.98 119.48 2dtt s PHE 32 Ca 0.22 -0.76 -0.02 0.00 0.12 0.00 0.00 56.93 56.49 2dtt s PHE 32 Cb -0.15 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.14 2dtt s PHE 32 CO 0.10 -0.47 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.51 2dtt s LEU 33 N 1.47 3.00 -0.12 -0.37 2.96 0.96 0.32 118.68 126.90 2dtt s LEU 33 Ca 0.05 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2dtt s LEU 33 Cb -0.14 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.83 2dtt s LEU 33 CO -0.01 0.15 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.28 2dtt s GLU 34 N 0.43 3.17 -0.12 1.98 2.12 0.22 -0.90 118.70 125.59 2dtt s GLU 34 Ca -0.06 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.48 2dtt s GLU 34 Cb -0.15 -2.46 0.02 0.00 0.26 0.00 0.00 34.13 31.79 2dtt s GLU 34 CO 0.04 0.14 -0.16 0.08 -0.54 0.00 0.00 175.26 174.82 2dtt s VAL 35 N 0.48 1.60 -0.18 3.70 1.01 -0.48 -0.81 120.40 125.72 2dtt s VAL 35 Ca -0.13 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 2dtt s VAL 35 Cb -0.17 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 2dtt s VAL 35 CO 0.05 0.46 -0.07 0.00 0.00 0.00 0.00 175.10 175.54 2dtt s ALA 36 N 1.08 2.77 -0.12 5.51 0.00 -0.16 -1.16 121.76 129.69 2dtt s ALA 36 Ca -0.04 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2dtt s ALA 36 Cb -0.14 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 2dtt s ALA 36 CO -0.04 -0.13 -0.15 0.42 0.00 0.00 0.00 175.76 175.87 2dtt s ILE 37 N 0.97 2.93 -0.13 0.00 -1.09 -0.17 -1.49 121.20 122.22 2dtt s ILE 37 Ca -0.01 -0.71 -0.04 0.00 -2.23 0.00 0.00 60.65 57.66 2dtt s ILE 37 Cb -0.15 -2.21 -0.04 0.00 -1.58 0.00 0.00 42.46 38.49 2dtt s ILE 37 CO 0.00 0.54 0.03 -0.70 -1.23 0.00 0.00 174.94 173.58 2dtt s GLU 38 N 0.23 3.43 0.17 2.79 2.12 0.21 -1.11 118.70 126.54 2dtt s GLU 38 Ca -0.09 -0.36 -0.22 0.00 0.36 0.00 0.00 54.97 54.65 2dtt s GLU 38 Cb -0.16 -2.99 0.08 0.00 0.26 0.00 0.00 34.13 31.32 2dtt s GLU 38 CO 0.05 0.53 1.06 0.20 -0.54 0.00 0.00 175.26 176.57 2dtt s GLY 39 N -0.38 0.12 0.35 -1.50 0.00 -0.99 -0.53 107.32 104.39 2dtt s GLY 39 Ca 0.08 -0.35 -0.17 0.00 0.00 0.00 0.00 44.72 44.28 2dtt s GLY 39 CO 0.02 2.91 0.80 -0.54 0.00 0.00 0.00 173.10 176.29 2dtt s GLU 40 N -2.09 4.10 -0.58 2.90 0.41 -1.26 -4.25 118.70 117.92 2dtt s GLU 40 Ca 0.23 0.83 -0.22 0.00 -0.41 0.00 0.00 54.97 55.40 2dtt s GLU 40 Cb -0.03 -2.40 0.06 0.00 -1.78 0.00 0.00 34.13 29.99 2dtt s GLU 40 CO 0.05 0.12 0.86 0.42 -0.49 0.00 0.00 175.26 176.22 2dtt s ILE 41 N -2.00 4.51 -0.17 -1.63 1.01 -1.26 -4.16 121.20 117.49 2dtt s ILE 41 Ca 0.56 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.01 2dtt s ILE 41 Cb -0.10 -4.53 0.00 0.00 0.01 0.00 0.00 42.46 37.84 2dtt s ILE 41 CO 0.16 -1.16 -0.15 -0.54 0.00 0.00 0.00 174.94 173.25 2dtt s LYS 42 N 3.60 3.16 -1.53 2.79 3.01 -0.15 -4.61 119.74 126.02 2dtt s LYS 42 Ca 0.23 -0.76 -0.04 0.00 -1.01 0.00 0.00 55.97 54.39 2dtt s LYS 42 Cb -0.16 -2.65 0.00 0.00 -1.01 0.00 0.00 37.83 34.01 2dtt s LYS 42 CO 0.14 -0.07 0.52 0.09 0.51 0.00 0.00 175.35 176.53 2dtt n ASN 43 N 4.31 -5.95 0.00 2.83 4.13 -1.26 -2.34 115.26 116.98 2dtt n ASN 43 Ca -0.19 -0.25 0.00 0.00 1.68 0.00 0.00 54.58 55.82 2dtt n ASN 43 Cb 0.51 -4.79 0.00 0.00 -1.54 0.00 0.00 39.78 33.96 2dtt n ASN 43 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dtt n GLY 44 N -1.44 1.66 3.18 7.41 0.00 -1.26 -5.04 105.19 109.70 2dtt n GLY 44 Ca -0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.75 1.19 -0.26 1.61 1.51 -0.99 -5.02 117.35 112.64 2dtt s TYR 45 Ca 0.00 -0.54 -0.15 0.00 -1.01 0.00 0.00 57.07 55.37 2dtt s TYR 45 Cb 0.00 -0.65 -0.14 0.00 -0.11 0.00 0.00 41.96 41.06 2dtt s TYR 45 CO 0.00 0.06 -0.21 0.28 -1.11 0.00 0.00 175.55 174.57 2dtt n VAL 46 N 0.90 1.53 -3.63 0.71 0.31 -1.26 -0.97 118.33 115.92 2dtt n VAL 46 Ca -0.18 -0.31 -0.11 0.00 -0.01 0.00 0.00 64.34 63.72 2dtt n VAL 46 Cb 0.56 -1.90 -0.07 0.00 -0.91 0.00 0.00 33.84 31.52 2dtt n VAL 46 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 2dtt s MET 47 N -2.48 0.64 0.22 5.55 1.75 -1.26 -4.82 119.30 118.90 2dtt s MET 47 Ca -0.36 0.72 -0.32 0.00 -1.25 0.00 0.00 55.69 54.48 2dtt s MET 47 Cb 0.13 0.31 -0.13 0.00 2.84 0.00 0.00 34.83 37.98 2dtt s MET 47 CO 0.52 -0.08 1.54 -3.47 -0.65 0.00 0.00 175.02 172.88 2dtt n ASP 48 N 2.30 3.23 0.15 1.11 -0.08 -1.26 -4.91 116.55 117.09 2dtt n ASP 48 Ca -0.13 1.11 -0.14 0.00 -1.51 0.00 0.00 54.79 54.12 2dtt n ASP 48 Cb 0.56 -1.48 -0.06 0.00 2.34 0.00 0.00 41.12 42.48 2dtt n ASP 48 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2dtt h PHE 49 N 5.27 -0.76 -0.98 -0.67 0.04 -2.00 -2.72 116.94 115.12 2dtt h PHE 49 Ca -0.45 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.37 2dtt h PHE 49 Cb 1.25 0.31 -0.06 0.00 2.20 0.00 0.00 35.95 39.65 2dtt h PHE 49 CO 0.60 -0.40 0.64 1.25 -0.60 0.00 0.00 178.31 179.81 2dtt h LEU 50 N -0.55 1.07 -0.52 1.54 5.85 -1.98 -0.61 115.31 120.10 2dtt h LEU 50 Ca 0.01 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2dtt h LEU 50 Cb 0.54 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2dtt h LEU 50 CO -0.11 0.73 0.27 -0.08 -0.34 0.00 0.00 178.44 178.91 2dtt h GLU 51 N 1.24 0.52 -0.31 1.25 4.81 -1.89 0.79 114.58 120.98 2dtt h GLU 51 Ca 0.40 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.54 2dtt h GLU 51 Cb 0.02 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2dtt h GLU 51 CO -0.13 0.34 -0.02 1.25 -0.73 0.00 0.00 179.01 179.72 2dtt h LEU 52 N 0.53 0.56 -0.43 1.64 5.85 -1.14 -2.97 115.31 119.36 2dtt h LEU 52 Ca 0.23 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.65 2dtt h LEU 52 Cb 0.12 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2dtt h LEU 52 CO -0.15 0.75 0.22 -0.09 -0.34 0.00 0.00 178.44 178.83 2dtt h ARG 53 N 0.35 0.42 -0.67 1.25 2.43 -0.51 -1.13 114.38 116.53 2dtt h ARG 53 Ca 0.08 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2dtt h ARG 53 Cb 0.48 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 2dtt h ARG 53 CO 0.02 0.28 0.38 0.87 -1.51 0.00 0.00 179.97 180.01 2dtt h LYS 54 N 0.44 0.68 0.08 0.20 1.57 -0.85 0.34 116.57 119.01 2dtt h LYS 54 Ca 0.18 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2dtt h LYS 54 Cb 0.09 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2dtt h LYS 54 CO -0.13 0.45 -0.04 0.82 -0.57 0.00 0.00 179.45 179.98 2dtt h ILE 55 N 0.70 0.98 -0.66 1.86 2.04 -1.25 -1.31 117.51 119.87 2dtt h ILE 55 Ca 0.30 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 2dtt h ILE 55 Cb 0.17 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2dtt h ILE 55 CO -0.18 0.05 0.24 0.58 0.00 0.00 0.00 178.15 178.84 2dtt h VAL 56 N -0.19 1.25 0.00 1.67 2.07 -0.82 -2.77 116.25 117.45 2dtt h VAL 56 Ca -0.01 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2dtt h VAL 56 Cb 0.16 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2dtt h VAL 56 CO 0.02 0.32 0.00 -0.33 0.02 0.00 0.00 177.57 177.59 2dtt h GLU 57 N 0.95 0.00 0.00 1.57 5.08 -0.25 -1.19 114.58 120.74 2dtt h GLU 57 Ca 0.22 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 2dtt h GLU 57 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2dtt h GLU 57 CO -0.01 0.00 -0.70 0.93 -1.00 0.00 0.00 179.01 178.23 2dtt h GLU 58 N 0.00 0.00 0.00 2.33 5.08 -0.95 -2.48 114.58 118.56 2dtt h GLU 58 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dtt h GLU 58 Cb 0.62 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2dtt h GLU 58 CO 0.00 0.70 -0.02 0.82 -1.00 0.00 0.00 179.01 179.51 2dtt h ILE 59 N 0.00 1.58 0.00 3.13 2.04 -1.29 -3.30 117.51 119.66 2dtt h ILE 59 Ca -0.01 -2.19 -0.00 0.00 1.00 0.00 0.00 64.86 63.66 2dtt h ILE 59 Cb 1.27 2.98 -0.00 0.00 -0.74 0.00 0.00 36.82 40.33 2dtt h ILE 59 CO 0.09 0.53 -0.02 0.71 0.00 0.00 0.00 178.15 179.46 2dtt h THR 60 N -1.00 0.23 0.00 -0.27 1.35 -1.32 -1.03 112.91 110.87 2dtt h THR 60 Ca -0.01 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.69 2dtt h THR 60 Cb 0.89 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2dtt h THR 60 CO -0.00 0.02 -0.08 0.50 -0.25 0.00 0.00 175.52 175.71 2dtt h LYS 61 N 0.00 0.00 0.00 4.72 3.64 -1.52 0.23 116.57 123.65 2dtt h LYS 61 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2dtt h LYS 61 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2dtt h LYS 61 CO 0.00 0.08 0.00 0.93 -2.27 0.00 0.00 179.45 178.19 2dtt h GLU 62 N 0.00 0.00 0.00 1.90 5.08 -1.32 -3.27 114.58 116.97 2dtt h GLU 62 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 2dtt h GLU 62 Cb 0.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2dtt h GLU 62 CO 0.01 0.00 -1.97 1.28 -1.00 0.00 0.00 179.01 177.33 2dtt n LEU 63 N -2.58 0.00 -4.66 1.33 4.77 -0.41 -4.91 117.00 110.53 2dtt n LEU 63 Ca 0.04 0.00 -0.47 0.00 -0.03 0.00 0.00 56.01 55.55 2dtt n LEU 63 Cb 0.38 0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.74 2dtt n LEU 63 CO 0.28 0.31 1.21 -0.67 -1.33 0.00 0.00 177.39 177.18 2dtt n ASP 64 N -2.47 2.99 -1.59 -1.43 2.03 -0.06 -1.80 116.55 114.21 2dtt n ASP 64 Ca -0.21 1.07 -0.17 0.00 0.52 0.00 0.00 54.79 56.00 2dtt n ASP 64 Cb 0.89 -1.39 -0.05 0.00 -0.72 0.00 0.00 41.12 39.85 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 3.78 -0.32 -4.14 -0.67 8.25 0.43 -4.95 115.22 117.60 2dtt n HIS 65 Ca 0.18 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.41 2dtt n HIS 65 Cb 0.28 -3.18 -0.07 0.00 1.12 0.00 0.00 29.99 28.14 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 -4.02 2.31 -0.48 -0.41 1.81 -0.75 -4.96 118.95 112.46 2dtt s ARG 66 Ca 0.00 -1.60 -0.16 0.00 -1.72 0.00 0.00 55.73 52.24 2dtt s ARG 66 Cb 0.00 -2.12 0.07 0.00 -0.45 0.00 0.00 34.95 32.44 2dtt s ARG 66 CO 0.00 0.10 0.45 1.21 -0.68 0.00 0.00 175.30 176.38 2dtt s ASN 67 N -3.83 6.17 0.59 0.23 3.84 -1.26 -1.41 114.94 119.27 2dtt s ASN 67 Ca 0.37 -1.19 0.29 0.00 0.21 0.00 0.00 52.86 52.55 2dtt s ASN 67 Cb -0.02 -2.21 1.66 0.00 -0.55 0.00 0.00 41.25 40.13 2dtt s ASN 67 CO 0.22 -0.70 2.09 -0.07 -2.79 0.00 0.00 177.10 175.85 2dtt h LEU 68 N 9.00 0.00 -1.49 3.21 3.38 -1.12 -0.57 115.31 127.72 2dtt h LEU 68 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2dtt h LEU 68 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2dtt h LEU 68 CO 0.89 0.00 0.00 0.78 0.09 0.00 0.00 178.44 180.20 2dtt h ASN 69 N 0.00 0.00 1.55 -0.43 4.21 -1.79 0.87 115.58 120.00 2dtt h ASN 69 Ca 0.09 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.60 2dtt h ASN 69 Cb 0.52 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.72 2dtt h ASN 69 CO -0.00 0.00 -0.36 0.78 -1.29 0.00 0.00 177.43 176.56 2dtt h ASN 70 N 0.00 0.00 0.00 5.81 2.35 -1.48 -3.37 115.58 118.89 2dtt h ASN 70 Ca 0.00 -0.02 -0.32 0.00 -0.55 0.00 0.00 56.30 55.41 2dtt h ASN 70 Cb 0.30 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 2dtt h ASN 70 CO 0.00 0.01 -2.22 -0.38 -1.65 0.00 0.00 177.43 173.19 2dtt n ILE 71 N -2.81 1.23 -4.87 2.81 5.41 -0.45 -5.00 119.36 115.68 2dtt n ILE 71 Ca 0.03 -0.62 -0.30 0.00 1.00 0.00 0.00 62.75 62.86 2dtt n ILE 71 Cb 0.52 -0.89 -0.14 0.00 -0.71 0.00 0.00 39.64 38.42 2dtt n ILE 71 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2dtt s PHE 72 N -2.43 2.34 0.30 1.39 0.08 0.17 -5.02 117.98 114.81 2dtt s PHE 72 Ca -0.19 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.48 2dtt s PHE 72 Cb 0.06 -1.39 0.47 0.00 -0.57 0.00 0.00 43.02 41.59 2dtt s PHE 72 CO 0.62 0.15 1.81 0.93 -0.10 0.00 0.00 175.22 178.62 2dtt h GLU 73 N 4.73 0.65 -2.34 0.44 5.08 -1.86 -3.37 114.58 117.90 2dtt h GLU 73 Ca -0.47 -0.16 -0.46 0.00 -1.00 0.00 0.00 59.36 57.27 2dtt h GLU 73 Cb 1.14 -0.08 -0.36 0.00 0.50 0.00 0.00 28.75 29.95 2dtt h GLU 73 CO 0.44 0.68 -0.75 1.21 -1.00 0.00 0.00 179.01 179.58 2dtt s ASN 74 N -6.69 2.27 -0.44 1.42 2.47 -1.26 -5.03 114.94 107.69 2dtt s ASN 74 Ca -0.08 -1.58 -0.05 0.00 0.42 0.00 0.00 52.86 51.57 2dtt s ASN 74 Cb 0.15 0.08 -0.14 0.00 -1.45 0.00 0.00 41.25 39.89 2dtt s ASN 74 CO 0.79 -0.33 2.54 -0.81 -3.72 0.00 0.00 177.10 175.57 2dtt n PRO 75 N 4.55 1.84 -1.40 0.43 -0.04 -1.26 -4.77 135.00 134.36 2dtt n PRO 75 Ca 0.06 -1.07 -0.30 0.00 -0.04 0.00 0.00 63.50 62.14 2dtt n PRO 75 Cb 0.42 -2.12 0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 2.18 3.19 0.32 0.52 -4.23 -1.26 -4.85 115.64 111.50 2dtt s THR 76 Ca 0.47 0.39 0.01 0.00 -1.18 0.00 0.00 61.69 61.37 2dtt s THR 76 Cb 0.18 -3.00 0.21 0.00 1.34 0.00 0.00 72.50 71.23 2dtt s THR 76 CO -0.02 -0.50 1.93 0.74 -0.54 0.00 0.00 174.62 176.23 2dtt h THR 77 N -1.16 1.19 -0.17 3.99 2.02 -1.98 -1.98 112.91 114.83 2dtt h THR 77 Ca -0.46 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 2dtt h THR 77 Cb 1.25 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 2dtt h THR 77 CO 0.56 0.22 0.07 -0.33 0.37 0.00 0.00 175.52 176.42 2dtt h GLU 78 N 0.84 0.25 -0.78 6.66 3.07 -1.96 -0.27 114.58 122.39 2dtt h GLU 78 Ca 0.21 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.98 2dtt h GLU 78 Cb 0.08 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 2dtt h GLU 78 CO -0.03 0.31 0.31 -0.91 -1.40 0.00 0.00 179.01 177.30 2dtt h ASN 79 N 0.13 1.06 -0.44 1.42 2.35 -1.79 0.24 115.58 118.55 2dtt h ASN 79 Ca 0.06 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 2dtt h ASN 79 Cb 0.15 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 2dtt h ASN 79 CO -0.01 0.94 -0.01 0.40 -1.65 0.00 0.00 177.43 177.10 2dtt h ILE 80 N 1.13 1.26 -0.24 2.81 2.04 -1.22 -1.96 117.51 121.33 2dtt h ILE 80 Ca 0.26 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 2dtt h ILE 80 Cb 0.20 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2dtt h ILE 80 CO -0.02 0.36 0.11 0.00 0.00 0.00 0.00 178.15 178.60 2dtt h ALA 81 N 0.90 0.30 -0.53 1.87 0.00 -0.71 -1.43 119.26 119.66 2dtt h ALA 81 Ca 0.12 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2dtt h ALA 81 Cb 0.50 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2dtt h ALA 81 CO 0.02 -0.14 0.30 -0.07 0.00 0.00 0.00 179.25 179.37 2dtt h LEU 82 N 0.25 0.48 -0.84 0.00 3.38 -0.89 0.93 115.31 118.62 2dtt h LEU 82 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2dtt h LEU 82 Cb 0.12 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2dtt h LEU 82 CO -0.01 0.33 0.48 -0.25 0.09 0.00 0.00 178.44 179.08 2dtt h TRP 83 N 0.60 1.13 -0.50 1.13 7.01 -1.17 -1.62 115.95 122.53 2dtt h TRP 83 Ca 0.22 -0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.13 2dtt h TRP 83 Cb 0.06 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 26.74 2dtt h TRP 83 CO -0.07 0.77 0.03 0.82 -2.79 0.00 0.00 178.44 177.20 2dtt h ILE 84 N 1.16 1.26 -0.27 2.65 2.04 -0.47 -2.13 117.51 121.76 2dtt h ILE 84 Ca 0.30 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 65.15 2dtt h ILE 84 Cb -0.00 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2dtt h ILE 84 CO -0.05 0.36 0.14 1.23 0.00 0.00 0.00 178.15 179.83 2dtt h GLY 85 N 0.73 0.36 1.00 5.37 0.00 -0.42 -0.92 103.07 109.18 2dtt h GLY 85 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2dtt h GLY 85 CO 0.02 0.09 0.34 0.83 0.00 0.00 0.00 176.54 177.82 2dtt h GLU 86 N 0.30 0.73 -0.52 4.80 4.39 -1.22 0.25 114.58 123.30 2dtt h GLU 86 Ca 0.11 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 2dtt h GLU 86 Cb 0.02 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 2dtt h GLU 86 CO -0.06 0.50 0.23 0.00 -1.16 0.00 0.00 179.01 178.52 2dtt h ARG 87 N 0.73 0.76 -0.16 2.33 2.47 -1.16 -1.73 114.38 117.63 2dtt h ARG 87 Ca 0.20 -0.13 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 2dtt h ARG 87 Cb -0.05 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.14 2dtt h ARG 87 CO -0.04 0.66 -0.03 0.82 0.56 0.00 0.00 179.97 181.93 2dtt h ILE 88 N 0.70 1.28 -0.90 2.04 2.04 -0.92 -2.96 117.51 118.79 2dtt h ILE 88 Ca 0.18 -0.97 0.11 0.00 1.00 0.00 0.00 64.86 65.17 2dtt h ILE 88 Cb 0.16 1.61 -0.08 0.00 -0.74 0.00 0.00 36.82 37.78 2dtt h ILE 88 CO -0.02 0.29 0.54 -0.09 0.00 0.00 0.00 178.15 178.87 2dtt h ARG 89 N 0.00 0.84 0.00 2.37 2.43 -0.88 -1.53 114.38 117.62 2dtt h ARG 89 Ca 0.04 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2dtt h ARG 89 Cb 0.46 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2dtt h ARG 89 CO 0.01 0.56 -0.15 0.22 -1.51 0.00 0.00 179.97 179.10 2dtt h ASP 90 N 0.87 0.00 -0.02 -3.80 3.58 -1.19 -3.13 116.42 112.72 2dtt h ASP 90 Ca 0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.89 2dtt h ASP 90 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2dtt h ASP 90 CO -0.26 0.15 -0.00 0.29 -2.88 0.00 0.00 179.24 176.53 2dtt n LYS 91 N -3.71 1.20 -2.57 0.28 4.76 -0.63 -5.01 118.16 112.47 2dtt n LYS 91 Ca -0.02 -1.44 -0.35 0.00 -2.87 0.00 0.00 58.31 53.63 2dtt n LYS 91 Cb 0.26 -1.30 -0.04 0.00 -1.84 0.00 0.00 35.03 32.11 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 -1.32 3.95 0.72 -0.35 1.43 -0.85 -5.03 118.68 117.24 2dtt s LEU 92 Ca 0.18 1.95 -0.14 0.00 -1.03 0.00 0.00 54.13 55.09 2dtt s LEU 92 Cb 0.13 -4.43 0.03 0.00 0.03 0.00 0.00 46.19 41.95 2dtt s LEU 92 CO 0.20 -0.65 1.14 -2.16 0.23 0.00 0.00 176.35 175.11 2dtt s PRO 93 N -2.98 2.37 0.00 1.29 0.04 -1.26 -4.90 135.00 129.55 2dtt s PRO 93 Ca 0.64 1.49 0.03 0.00 0.04 0.00 0.00 61.00 63.20 2dtt s PRO 93 Cb -0.18 -1.89 0.18 0.00 0.04 0.00 0.00 34.50 32.66 2dtt s PRO 93 CO 0.22 -1.61 0.75 -0.35 0.04 0.00 0.00 177.00 176.05 2dtt n PRO 94 N -2.81 0.09 -0.06 0.56 -0.04 -1.26 -2.85 135.00 128.63 2dtt n PRO 94 Ca 0.11 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.72 2dtt n PRO 94 Cb 0.52 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.57 2dtt n PRO 94 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2dtt n TYR 95 N -1.08 0.15 -4.46 0.54 4.11 -1.26 -5.00 117.16 110.15 2dtt n TYR 95 Ca 0.02 -0.12 -0.22 0.00 -0.00 0.00 0.00 57.90 57.58 2dtt n TYR 95 Cb 0.02 -0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.25 2dtt n TYR 95 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 2dtt s VAL 96 N -1.19 1.52 -0.02 -3.48 -7.23 -1.13 -4.57 120.40 104.30 2dtt s VAL 96 Ca 0.21 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.35 2dtt s VAL 96 Cb 0.13 -2.64 -0.00 0.00 0.56 0.00 0.00 36.38 34.43 2dtt s VAL 96 CO 0.19 -0.16 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.97 2dtt s LYS 97 N -3.78 0.96 -0.31 4.82 2.20 0.31 -4.87 119.74 119.07 2dtt s LYS 97 Ca 0.33 -0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 55.27 2dtt s LYS 97 Cb 0.06 -0.91 -0.00 0.00 -1.51 0.00 0.00 37.83 35.47 2dtt s LYS 97 CO 0.14 0.20 1.41 -1.17 -0.36 0.00 0.00 175.35 175.57 2dtt s LEU 98 N -0.10 3.79 -0.20 5.43 2.96 -1.26 -0.62 118.68 128.68 2dtt s LEU 98 Ca 0.02 1.19 -0.16 0.00 -0.22 0.00 0.00 54.13 54.96 2dtt s LEU 98 Cb -0.06 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.90 2dtt s LEU 98 CO -0.00 -1.23 0.12 1.17 -1.32 0.00 0.00 176.35 175.09 2dtt n LYS 99 N 7.62 0.62 -3.72 1.98 3.00 -0.56 -4.50 118.16 122.60 2dtt n LYS 99 Ca 0.16 0.43 -0.14 0.00 -0.00 0.00 0.00 58.31 58.77 2dtt n LYS 99 Cb 0.47 -1.68 -0.09 0.00 0.00 0.00 0.00 35.03 33.73 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 -2.44 0.66 -0.07 1.64 3.52 -1.02 -0.73 118.95 120.52 2dtt s ARG 100 Ca -0.30 0.08 -0.00 0.00 -0.13 0.00 0.00 55.73 55.38 2dtt s ARG 100 Cb 0.08 0.30 0.02 0.00 -1.56 0.00 0.00 34.95 33.79 2dtt s ARG 100 CO 0.61 -0.16 -0.04 0.08 -0.81 0.00 0.00 175.30 174.98 2dtt s VAL 101 N -0.87 0.61 -0.22 7.11 1.01 -0.07 -0.99 120.40 126.99 2dtt s VAL 101 Ca -0.09 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2dtt s VAL 101 Cb -0.04 -0.68 0.05 0.00 0.00 0.00 0.00 36.38 35.71 2dtt s VAL 101 CO 0.04 0.27 -0.07 -0.69 0.00 0.00 0.00 175.10 174.65 2dtt s VAL 102 N 1.44 1.57 -0.26 2.92 1.01 0.01 -0.26 120.40 126.83 2dtt s VAL 102 Ca -0.02 -1.12 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 2dtt s VAL 102 Cb -0.13 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2dtt s VAL 102 CO -0.03 0.02 0.07 -0.22 0.00 0.00 0.00 175.10 174.94 2dtt s LEU 103 N 1.40 3.55 -0.22 3.92 2.96 -0.01 -0.61 118.68 129.66 2dtt s LEU 103 Ca -0.04 -0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 53.44 2dtt s LEU 103 Cb -0.18 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2dtt s LEU 103 CO -0.07 -0.08 0.09 0.26 -1.32 0.00 0.00 176.35 175.23 2dtt s TRP 104 N 1.58 3.20 -0.77 5.38 0.52 0.15 -0.78 118.94 128.22 2dtt s TRP 104 Ca 0.05 -0.06 -0.18 0.00 0.02 0.00 0.00 56.10 55.93 2dtt s TRP 104 Cb -0.16 -2.19 0.13 0.00 -1.15 0.00 0.00 33.47 30.11 2dtt s TRP 104 CO 0.03 -0.06 0.91 -2.00 0.02 0.00 0.00 176.95 175.85 2dtt s GLU 105 N 1.02 3.37 1.89 4.98 2.12 0.12 -0.56 118.70 131.64 2dtt s GLU 105 Ca 0.05 -1.64 0.00 0.00 0.36 0.00 0.00 54.97 53.74 2dtt s GLU 105 Cb -0.14 -4.54 0.00 0.00 0.26 0.00 0.00 34.13 29.71 2dtt s GLU 105 CO 0.03 -1.62 0.00 0.41 -0.54 0.00 0.00 175.26 173.54 2dtt n GLY 106 N 5.13 -1.51 0.40 -1.50 0.00 -0.83 -3.71 105.19 103.18 2dtt n GLY 106 Ca 0.08 -1.35 0.08 0.00 0.00 0.00 0.00 46.02 44.84 2dtt n GLY 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dtt n LYS 107 N 0.00 1.61 -0.08 1.61 4.76 -1.26 -4.57 118.16 120.23 2dtt n LYS 107 Ca 0.00 -0.88 -0.08 0.00 -2.87 0.00 0.00 58.31 54.48 2dtt n LYS 107 Cb 0.00 -1.30 -0.15 0.00 -1.84 0.00 0.00 35.03 31.73 2dtt n LYS 107 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2dtt n ASP 108 N -0.04 0.19 -4.15 4.39 8.00 -1.26 -4.97 116.55 118.71 2dtt n ASP 108 Ca 0.07 0.09 -0.26 0.00 0.71 0.00 0.00 54.79 55.40 2dtt n ASP 108 Cb 0.36 0.84 -0.16 0.00 -0.02 0.00 0.00 41.12 42.14 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 -5.55 2.18 0.24 -2.24 0.01 -1.24 -5.06 114.94 103.29 2dtt s ASN 109 Ca -0.09 -0.35 -0.12 0.00 -0.71 0.00 0.00 52.86 51.59 2dtt s ASN 109 Cb 0.07 -0.54 -0.01 0.00 0.41 0.00 0.00 41.25 41.18 2dtt s ASN 109 CO 0.83 0.17 0.46 -0.83 -1.51 0.00 0.00 177.10 176.22 2dtt s GLY 110 N -0.05 0.59 -0.06 0.66 0.00 -1.26 0.11 107.32 107.30 2dtt s GLY 110 Ca -0.02 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 43.80 2dtt s GLY 110 CO 0.02 -0.67 -0.13 0.14 0.00 0.00 0.00 173.10 172.45 2dtt s VAL 111 N -4.03 1.20 -0.17 1.40 1.01 0.04 -4.98 120.40 114.88 2dtt s VAL 111 Ca 0.23 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2dtt s VAL 111 Cb -0.00 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.29 2dtt s VAL 111 CO 0.09 0.37 -0.13 -0.70 0.00 0.00 0.00 175.10 174.73 2dtt s GLU 112 N 0.56 3.23 -0.13 2.72 2.12 -1.26 -0.83 118.70 125.12 2dtt s GLU 112 Ca -0.13 -0.73 -0.00 0.00 0.36 0.00 0.00 54.97 54.47 2dtt s GLU 112 Cb -0.15 -2.70 -0.02 0.00 0.26 0.00 0.00 34.13 31.52 2dtt s GLU 112 CO 0.04 -0.05 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.08 2dtt s LEU 113 N 1.00 2.79 -0.01 2.70 1.43 0.64 -4.99 118.68 122.23 2dtt s LEU 113 Ca -0.02 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2dtt s LEU 113 Cb -0.15 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.44 2dtt s LEU 113 CO -0.02 0.18 -0.08 -0.70 0.23 0.00 0.00 176.35 175.95 2dtt s GLU 114 N 0.25 0.74 0.00 1.70 2.12 -1.26 -0.89 118.70 121.35 2dtt s GLU 114 Ca -0.08 -0.30 0.00 0.00 0.36 0.00 0.00 54.97 54.95 2dtt s GLU 114 Cb -0.15 -0.71 0.00 0.00 0.26 0.00 0.00 34.13 33.53 2dtt s GLU 114 CO 0.05 0.17 0.50 0.91 -0.54 0.00 0.00 175.26 176.35