#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dur s ILE 2 N 0.00 4.32 -0.22 0.53 1.01 -1.26 -5.02 121.20 120.55 3dur s ILE 2 Ca 0.00 1.64 -0.12 0.00 0.00 0.00 0.00 60.65 62.18 3dur s ILE 2 Cb 0.00 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 3dur s ILE 2 CO 0.00 0.03 0.20 -0.69 0.00 0.00 0.00 174.94 174.48 3dur s VAL 3 N 1.95 5.34 -0.26 2.92 1.01 -1.26 -4.94 120.40 125.15 3dur s VAL 3 Ca 0.55 0.29 -0.05 0.00 0.00 0.00 0.00 61.98 62.78 3dur s VAL 3 Cb -0.24 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.60 3dur s VAL 3 CO 0.23 0.34 0.01 -0.04 0.00 0.00 0.00 175.10 175.64 3dur s MET 4 N 0.98 3.10 -0.15 2.72 -1.94 -1.26 -0.56 119.30 122.19 3dur s MET 4 Ca 0.10 -0.82 0.01 0.00 -1.71 0.00 0.00 55.69 53.26 3dur s MET 4 Cb -0.13 -3.17 -0.00 0.00 2.01 0.00 0.00 34.83 33.54 3dur s MET 4 CO 0.04 -0.36 -0.16 0.95 -0.01 0.00 0.00 175.02 175.48 3dur s THR 5 N 1.45 2.64 -0.04 2.05 -4.23 0.13 -4.14 115.64 113.48 3dur s THR 5 Ca 0.03 -0.79 0.02 0.00 -1.18 0.00 0.00 61.69 59.77 3dur s THR 5 Cb -0.16 -2.10 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 3dur s THR 5 CO -0.01 0.52 -0.08 -1.10 -0.54 0.00 0.00 174.62 173.42 3dur s GLN 6 N 0.71 2.66 0.00 3.99 -0.21 -1.26 -0.13 119.66 125.41 3dur s GLN 6 Ca -0.07 -0.62 0.01 0.00 0.02 0.00 0.00 55.36 54.70 3dur s GLN 6 Cb -0.16 -2.54 -0.01 0.00 1.00 0.00 0.00 33.01 31.31 3dur s GLN 6 CO 0.01 0.64 -0.05 0.45 -2.12 0.00 0.00 175.29 174.23 3dur s SER 7 N -0.99 0.57 0.89 5.90 0.15 -0.86 -4.54 113.70 114.82 3dur s SER 7 Ca 0.14 -0.13 -0.08 0.00 0.70 0.00 0.00 55.95 56.58 3dur s SER 7 Cb -0.11 -0.05 0.14 0.00 -1.71 0.00 0.00 66.02 64.29 3dur s SER 7 CO 0.03 0.03 0.84 -0.81 1.20 0.00 0.00 173.24 174.54 3dur n PRO 8 N 2.83 -0.60 0.08 5.44 -0.04 -1.26 -0.97 135.00 140.48 3dur n PRO 8 Ca -0.14 -1.53 -0.07 0.00 -0.04 0.00 0.00 63.50 61.72 3dur n PRO 8 Cb 0.58 -0.80 0.05 0.00 -0.04 0.00 0.00 33.50 33.29 3dur n PRO 8 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3dur h SER 9 N -0.97 0.28 -4.75 3.54 0.02 -1.82 -3.41 113.55 106.44 3dur h SER 9 Ca -0.27 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 60.36 3dur h SER 9 Cb 0.82 -0.08 -0.21 0.00 0.14 0.00 0.00 62.40 63.06 3dur h SER 9 CO 0.22 0.93 -0.26 -0.55 -1.14 0.00 0.00 176.83 176.03 3dur s SER 10 N -6.92 -0.25 0.13 3.07 0.15 -1.26 -1.22 113.70 107.41 3dur s SER 10 Ca -0.04 0.25 -0.17 0.00 0.70 0.00 0.00 55.95 56.69 3dur s SER 10 Cb 0.11 0.41 0.04 0.00 -1.71 0.00 0.00 66.02 64.87 3dur s SER 10 CO 0.82 -0.39 0.43 -1.48 1.20 0.00 0.00 173.24 173.82 3dur s LEU 11 N -1.00 0.27 -0.01 3.45 2.34 0.61 -4.91 118.68 119.43 3dur s LEU 11 Ca -0.11 -0.29 0.01 0.00 0.06 0.00 0.00 54.13 53.81 3dur s LEU 11 Cb -0.04 1.94 -0.00 0.00 -0.56 0.00 0.00 46.19 47.52 3dur s LEU 11 CO 0.04 -0.87 -0.05 0.00 -1.06 0.00 0.00 176.35 174.40 3dur s ALA 12 N -3.80 0.43 0.26 1.48 0.00 -1.26 0.38 121.76 119.25 3dur s ALA 12 Ca 0.03 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.83 3dur s ALA 12 Cb 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 3dur s ALA 12 CO -0.12 0.09 0.22 0.14 0.00 0.00 0.00 175.76 176.09 3dur s VAL 13 N 0.00 0.00 0.26 0.00 -7.23 -1.12 -4.87 120.40 107.44 3dur s VAL 13 Ca 0.00 -1.96 -0.11 0.00 -1.81 0.00 0.00 61.98 58.10 3dur s VAL 13 Cb -0.03 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.33 3dur s VAL 13 CO -0.00 0.00 0.60 -0.44 -0.31 0.00 0.00 175.10 174.95 3dur s SER 14 N -3.25 6.67 0.03 4.85 0.01 -1.26 -0.03 113.70 120.72 3dur s SER 14 Ca 0.39 1.03 -0.38 0.00 1.31 0.00 0.00 55.95 58.30 3dur s SER 14 Cb 0.04 -2.27 -0.19 0.00 0.21 0.00 0.00 66.02 63.81 3dur s SER 14 CO 0.19 -0.11 0.97 0.00 0.41 0.00 0.00 173.24 174.70 3dur n ALA 15 N -0.19 -3.51 -0.24 1.44 0.00 -1.26 -1.37 120.51 115.38 3dur n ALA 15 Ca 0.01 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3dur n ALA 15 Cb 0.53 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3dur n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dur n GLY 16 N 1.57 1.14 3.93 0.00 0.00 0.96 -4.91 105.19 107.87 3dur n GLY 16 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 3dur n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dur s GLU 17 N -0.50 2.20 -0.07 1.61 0.41 -0.47 -4.36 118.70 117.52 3dur s GLU 17 Ca 0.00 -0.25 -0.11 0.00 -0.41 0.00 0.00 54.97 54.20 3dur s GLU 17 Cb 0.00 -2.17 -0.05 0.00 -1.78 0.00 0.00 34.13 30.13 3dur s GLU 17 CO 0.00 -1.23 0.27 0.21 -0.49 0.00 0.00 175.26 174.01 3dur s LYS 18 N -5.25 3.69 0.13 1.61 2.20 -1.26 -0.67 119.74 120.20 3dur s LYS 18 Ca 0.60 0.12 0.05 0.00 -0.36 0.00 0.00 55.97 56.38 3dur s LYS 18 Cb -0.11 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 3dur s LYS 18 CO 0.45 0.72 -0.11 0.14 -0.36 0.00 0.00 175.35 176.18 3dur s VAL 19 N -0.98 1.18 0.05 4.02 -7.23 -0.74 -4.95 120.40 111.74 3dur s VAL 19 Ca 0.19 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 3dur s VAL 19 Cb -0.14 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 3dur s VAL 19 CO 0.08 -0.61 -0.08 0.42 -0.31 0.00 0.00 175.10 174.61 3dur s THR 20 N -2.79 0.55 0.03 5.32 -4.23 -1.26 -0.56 115.64 112.70 3dur s THR 20 Ca 0.12 -1.18 -0.02 0.00 -1.18 0.00 0.00 61.69 59.43 3dur s THR 20 Cb -0.01 -0.73 -0.02 0.00 1.34 0.00 0.00 72.50 73.08 3dur s THR 20 CO 0.01 -0.44 0.02 0.00 -0.54 0.00 0.00 174.62 173.67 3dur s MET 21 N -1.85 0.50 0.05 3.99 0.23 -0.35 -4.93 119.30 116.95 3dur s MET 21 Ca -0.08 -0.83 0.02 0.00 -1.03 0.00 0.00 55.69 53.77 3dur s MET 21 Cb -0.08 0.19 -0.04 0.00 -1.53 0.00 0.00 34.83 33.37 3dur s MET 21 CO -0.00 -0.11 0.06 0.45 -2.03 0.00 0.00 175.02 173.39 3dur s SER 22 N -2.12 5.46 -0.04 -1.18 0.15 -0.14 -1.76 113.70 114.07 3dur s SER 22 Ca -0.05 0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.60 3dur s SER 22 Cb -0.02 -1.48 0.03 0.00 -1.71 0.00 0.00 66.02 62.85 3dur s SER 22 CO -0.05 0.21 0.04 0.00 1.20 0.00 0.00 173.24 174.64 3dur s LYS 24 N 1.75 1.51 0.00 0.00 1.02 0.81 -0.87 119.74 123.97 3dur s LYS 24 Ca -0.00 -0.97 0.07 0.00 0.02 0.00 0.00 55.97 55.09 3dur s LYS 24 Cb -0.12 -1.63 -0.03 0.00 -0.52 0.00 0.00 37.83 35.53 3dur s LYS 24 CO -0.03 0.42 -0.20 -1.54 -0.92 0.00 0.00 175.35 173.08 3dur s SER 25 N -1.14 3.60 0.57 2.83 1.04 -0.43 0.17 113.70 120.34 3dur s SER 25 Ca 0.08 -0.40 0.38 0.00 0.48 0.00 0.00 55.95 56.49 3dur s SER 25 Cb -0.09 -0.57 1.91 0.00 0.10 0.00 0.00 66.02 67.37 3dur s SER 25 CO 0.02 0.29 2.15 -1.28 0.98 0.00 0.00 173.24 175.40 3dur h SER 26 N 4.99 0.00 -4.22 7.02 0.87 -1.17 -3.43 113.55 117.61 3dur h SER 26 Ca -0.46 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 59.90 3dur h SER 26 Cb 1.14 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.85 3dur h SER 26 CO 0.48 0.00 -0.66 -1.58 -0.53 0.00 0.00 176.83 174.54 3dur s GLN 27 N -3.89 0.17 0.24 2.24 0.74 -1.26 -4.95 119.66 112.95 3dur s GLN 27 Ca -0.02 -0.18 -0.31 0.00 0.05 0.00 0.00 55.36 54.90 3dur s GLN 27 Cb 0.11 0.07 -0.13 0.00 1.10 0.00 0.00 33.01 34.16 3dur s GLN 27 CO 0.43 -0.03 1.48 0.45 -0.55 0.00 0.00 175.29 177.06 3dur n SER 28 N 2.48 3.08 -1.23 6.67 2.88 -1.26 -4.64 113.62 121.61 3dur n SER 28 Ca -0.17 1.13 0.11 0.00 -1.33 0.00 0.00 58.87 58.62 3dur n SER 28 Cb 0.58 -1.47 0.27 0.00 -0.75 0.00 0.00 64.21 62.83 3dur n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3dur n LEU 29 N 2.34 3.69 -4.78 2.46 4.77 0.23 -4.96 117.00 120.75 3dur n LEU 29 Ca 0.12 -1.77 -0.38 0.00 -0.03 0.00 0.00 56.01 53.94 3dur n LEU 29 Cb 0.32 -0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 3dur n LEU 29 CO 0.63 0.87 0.13 0.12 -1.33 0.00 0.00 177.39 177.81 3dur s PHE 30 N -1.21 3.63 -0.17 -1.77 5.36 -1.26 -0.38 117.98 122.19 3dur s PHE 30 Ca 0.43 0.94 -0.04 0.00 -0.96 0.00 0.00 56.93 57.30 3dur s PHE 30 Cb 0.24 -2.41 -0.03 0.00 -0.34 0.00 0.00 43.02 40.47 3dur s PHE 30 CO 0.32 0.42 -0.03 0.15 -1.46 0.00 0.00 175.22 174.62 3dur s LYS 30 N -0.28 3.66 0.37 10.12 1.02 -0.64 -4.99 119.74 129.00 3dur s LYS 30 Ca 0.24 -0.52 0.11 0.00 0.02 0.00 0.00 55.97 55.82 3dur s LYS 30 Cb -0.16 -2.96 0.73 0.00 -0.52 0.00 0.00 37.83 34.91 3dur s LYS 30 CO 0.12 0.18 1.85 0.77 -0.92 0.00 0.00 175.35 177.35 3dur h SER 30 N 6.92 0.13 -0.88 2.83 0.02 -1.97 -0.77 113.55 119.84 3dur h SER 30 Ca -0.33 -0.04 0.10 0.00 -0.84 0.00 0.00 61.79 60.69 3dur h SER 30 Cb 1.19 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 63.61 3dur h SER 30 CO 0.63 0.40 0.52 -0.09 -1.14 0.00 0.00 176.83 177.15 3dur h ARG 30 N 0.12 0.83 0.00 3.45 9.65 -1.97 -2.98 114.38 123.49 3dur h ARG 30 Ca 0.02 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3dur h ARG 30 Cb 0.54 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 3dur h ARG 30 CO 0.04 0.55 -0.00 0.27 2.80 0.00 0.00 179.97 183.63 3dur n ASN 30 N -4.70 1.53 -3.79 -3.80 2.04 -1.19 -5.00 115.26 100.35 3dur n ASN 30 Ca 0.15 -1.79 -0.28 0.00 -0.44 0.00 0.00 54.58 52.22 3dur n ASN 30 Cb 0.30 -0.01 0.05 0.00 -2.53 0.00 0.00 39.78 37.58 3dur n ASN 30 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3dur n GLN 30 N -0.40 -6.43 -5.14 -3.83 1.13 -0.30 -4.99 117.38 97.41 3dur n GLN 30 Ca 0.00 0.69 -0.31 0.00 -1.94 0.00 0.00 57.00 55.44 3dur n GLN 30 Cb 0.32 -5.63 -0.15 0.00 0.11 0.00 0.00 30.24 24.89 3dur n GLN 30 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3dur s LYS 30 N -6.48 2.09 -0.09 -1.09 -0.14 -1.18 -4.96 119.74 107.88 3dur s LYS 30 Ca 0.61 -0.94 -0.23 0.00 -1.36 0.00 0.00 55.97 54.05 3dur s LYS 30 Cb -0.29 -2.07 -0.03 0.00 -1.68 0.00 0.00 37.83 33.75 3dur s LYS 30 CO 0.79 0.56 0.67 -0.80 -0.76 0.00 0.00 175.35 175.81 3dur s ASN 31 N -0.81 6.92 -1.29 2.83 0.01 -1.26 -1.62 114.94 119.72 3dur s ASN 31 Ca 0.11 1.11 -0.08 0.00 -0.71 0.00 0.00 52.86 53.28 3dur s ASN 31 Cb -0.10 -2.39 0.16 0.00 0.41 0.00 0.00 41.25 39.32 3dur s ASN 31 CO 0.00 -0.13 2.00 -1.22 -1.51 0.00 0.00 177.10 176.24 3dur n TYR 32 N 3.96 2.83 -3.73 2.20 4.02 0.49 -3.85 117.16 123.08 3dur n TYR 32 Ca -0.02 -2.79 -0.14 0.00 -0.01 0.00 0.00 57.90 54.94 3dur n TYR 32 Cb 0.51 -1.92 -0.14 0.00 -0.02 0.00 0.00 39.34 37.77 3dur n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3dur s LEU 33 N -0.63 0.54 0.10 7.72 2.96 -1.26 -0.76 118.68 127.34 3dur s LEU 33 Ca 0.43 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.73 3dur s LEU 33 Cb 0.12 0.44 -0.04 0.00 0.50 0.00 0.00 46.19 47.21 3dur s LEU 33 CO -0.02 -0.17 -0.09 0.00 -1.32 0.00 0.00 176.35 174.76 3dur s ALA 34 N 1.35 1.09 -0.02 5.97 0.00 -0.33 -0.92 121.76 128.90 3dur s ALA 34 Ca -0.08 -1.26 0.06 0.00 0.00 0.00 0.00 51.96 50.69 3dur s ALA 34 Cb -0.11 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 3dur s ALA 34 CO -0.07 -0.11 -0.21 -1.58 0.00 0.00 0.00 175.76 173.80 3dur s TRP 35 N -2.87 2.49 0.11 0.00 0.52 0.46 -0.94 118.94 118.70 3dur s TRP 35 Ca 0.08 -0.32 0.06 0.00 0.02 0.00 0.00 56.10 55.94 3dur s TRP 35 Cb 0.00 -1.53 -0.04 0.00 -1.15 0.00 0.00 33.47 30.75 3dur s TRP 35 CO -0.01 0.09 -0.14 0.71 0.02 0.00 0.00 176.95 177.61 3dur s TYR 36 N -0.71 1.36 -0.09 -1.98 1.51 0.92 -1.09 117.35 117.27 3dur s TYR 36 Ca 0.11 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.68 3dur s TYR 36 Cb -0.10 -0.73 0.00 0.00 -0.11 0.00 0.00 41.96 41.02 3dur s TYR 36 CO 0.01 0.12 -0.21 -1.14 -1.11 0.00 0.00 175.55 173.21 3dur s GLN 37 N -2.40 2.75 -0.33 -0.62 0.74 -0.12 -1.02 119.66 118.65 3dur s GLN 37 Ca 0.06 -0.78 0.02 0.00 0.05 0.00 0.00 55.36 54.71 3dur s GLN 37 Cb -0.06 -2.10 0.10 0.00 1.10 0.00 0.00 33.01 32.05 3dur s GLN 37 CO 0.03 0.15 0.08 -1.14 -0.55 0.00 0.00 175.29 173.86 3dur s GLN 38 N 0.40 1.12 0.51 1.67 0.74 -0.44 -0.19 119.66 123.48 3dur s GLN 38 Ca -0.18 -1.51 -0.21 0.00 0.05 0.00 0.00 55.36 53.51 3dur s GLN 38 Cb -0.17 -2.62 -0.06 0.00 1.10 0.00 0.00 33.01 31.25 3dur s GLN 38 CO 0.08 -0.97 1.17 0.15 -0.55 0.00 0.00 175.29 175.17 3dur s LYS 39 N 1.21 3.48 -0.05 1.67 1.02 -1.26 -1.50 119.74 124.31 3dur s LYS 39 Ca 0.11 1.77 -0.37 0.00 0.02 0.00 0.00 55.97 57.49 3dur s LYS 39 Cb -0.18 -2.21 -0.15 0.00 -0.52 0.00 0.00 37.83 34.77 3dur s LYS 39 CO -0.16 -0.78 1.60 -2.30 -0.92 0.00 0.00 175.35 172.79 3dur n PRO 40 N -0.93 1.48 -0.99 -1.68 -0.02 -1.26 -2.40 135.00 129.20 3dur n PRO 40 Ca 0.10 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3dur n PRO 40 Cb 0.49 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3dur n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dur n GLY 41 N 3.52 0.57 3.39 -1.23 0.00 -1.26 -5.00 105.19 105.18 3dur n GLY 41 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 3dur n GLY 41 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dur s GLN 42 N -0.15 1.85 0.11 1.61 -2.07 -1.01 -5.12 119.66 114.87 3dur s GLN 42 Ca 0.00 -2.10 -0.32 0.00 -1.82 0.00 0.00 55.36 51.11 3dur s GLN 42 Cb 0.00 -0.11 -0.12 0.00 -1.09 0.00 0.00 33.01 31.70 3dur s GLN 42 CO 0.00 -0.58 1.77 0.45 -1.32 0.00 0.00 175.29 175.61 3dur n SER 43 N -1.45 3.70 -4.62 12.60 2.88 -1.26 -4.62 113.62 120.85 3dur n SER 43 Ca 0.01 1.02 -0.30 0.00 -1.33 0.00 0.00 58.87 58.27 3dur n SER 43 Cb 0.63 -1.49 0.19 0.00 -0.75 0.00 0.00 64.21 62.79 3dur n SER 43 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3dur s PRO 44 N 2.32 0.42 -0.01 -1.46 0.02 -1.26 -4.60 135.00 130.43 3dur s PRO 44 Ca 0.82 1.23 0.01 0.00 0.02 0.00 0.00 61.00 63.08 3dur s PRO 44 Cb -0.57 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 32.27 3dur s PRO 44 CO 0.39 -2.94 -0.04 0.21 -0.33 0.00 0.00 177.00 174.30 3dur s LYS 45 N -4.62 0.36 0.08 5.54 2.20 0.73 -4.97 119.74 119.07 3dur s LYS 45 Ca 0.67 -0.13 -0.31 0.00 -0.36 0.00 0.00 55.97 55.84 3dur s LYS 45 Cb -0.23 -0.36 -0.06 0.00 -1.51 0.00 0.00 37.83 35.67 3dur s LYS 45 CO 0.60 0.07 1.23 -1.17 -0.36 0.00 0.00 175.35 175.72 3dur s LEU 46 N 0.03 4.38 -0.18 5.43 2.96 -1.26 -0.95 118.68 129.09 3dur s LEU 46 Ca 0.00 2.09 -0.11 0.00 -0.22 0.00 0.00 54.13 55.90 3dur s LEU 46 Cb -0.03 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.00 3dur s LEU 46 CO -0.00 -0.49 -0.26 0.18 -1.32 0.00 0.00 176.35 174.46 3dur n LEU 47 N 3.78 1.48 -3.94 -0.68 4.32 -0.25 -4.75 117.00 116.96 3dur n LEU 47 Ca 0.09 0.25 -0.13 0.00 -0.02 0.00 0.00 56.01 56.20 3dur n LEU 47 Cb 0.45 -0.60 -0.13 0.00 -1.62 0.00 0.00 43.42 41.52 3dur n LEU 47 CO 0.56 0.22 -0.38 -0.63 -1.22 0.00 0.00 177.39 175.94 3dur s ILE 48 N -2.44 0.21 0.19 -0.08 1.01 -1.01 -1.09 121.20 117.99 3dur s ILE 48 Ca -0.26 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.10 3dur s ILE 48 Cb 0.09 -0.22 -0.05 0.00 0.01 0.00 0.00 42.46 42.29 3dur s ILE 48 CO 0.34 -0.07 0.00 -0.72 0.00 0.00 0.00 174.94 174.49 3dur s TYR 49 N -0.38 1.30 -1.28 3.97 1.13 0.10 -0.41 117.35 121.78 3dur s TYR 49 Ca -0.03 -1.00 -0.07 0.00 -1.41 0.00 0.00 57.07 54.57 3dur s TYR 49 Cb -0.03 -0.74 0.05 0.00 -1.10 0.00 0.00 41.96 40.14 3dur s TYR 49 CO -0.00 -0.17 0.43 0.91 -2.51 0.00 0.00 175.55 174.20 3dur n TRP 50 N -0.29 -1.76 0.00 -3.49 8.01 -0.88 -1.19 117.44 117.84 3dur n TRP 50 Ca -0.06 0.40 0.00 0.00 -1.31 0.00 0.00 57.50 56.53 3dur n TRP 50 Cb 0.63 -3.14 0.00 0.00 -2.01 0.00 0.00 31.31 26.80 3dur n TRP 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3dur n ALA 51 N -3.31 0.00 -0.92 6.99 0.00 -0.09 -4.20 120.51 118.97 3dur n ALA 51 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3dur n ALA 51 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3dur n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dur n SER 52 N 1.15 0.10 -4.65 0.00 3.41 -1.16 -3.32 113.62 109.15 3dur n SER 52 Ca 0.00 -1.02 -0.38 0.00 -0.26 0.00 0.00 58.87 57.22 3dur n SER 52 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 3dur n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3dur s THR 53 N -0.02 5.26 0.12 6.66 2.01 -0.33 -4.68 115.64 124.65 3dur s THR 53 Ca 0.00 0.47 -0.27 0.00 0.31 0.00 0.00 61.69 62.20 3dur s THR 53 Cb 0.00 -3.63 -0.07 0.00 0.01 0.00 0.00 72.50 68.81 3dur s THR 53 CO 0.00 0.27 0.83 -0.60 -0.69 0.00 0.00 174.62 174.43 3dur s ARG 54 N 1.36 4.60 0.59 4.92 3.52 -1.26 -0.72 118.95 131.96 3dur s ARG 54 Ca 0.14 1.22 -0.18 0.00 -0.13 0.00 0.00 55.73 56.78 3dur s ARG 54 Cb -0.14 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 3dur s ARG 54 CO 0.07 0.38 1.14 -2.00 -0.81 0.00 0.00 175.30 174.08 3dur s GLU 55 N -0.50 3.10 0.21 5.12 2.56 -0.25 -4.92 118.70 124.02 3dur s GLU 55 Ca 0.40 1.59 -0.32 0.00 0.00 0.00 0.00 54.97 56.64 3dur s GLU 55 Cb -0.22 -1.97 -0.14 0.00 2.00 0.00 0.00 34.13 33.79 3dur s GLU 55 CO 0.26 -1.05 1.38 0.43 -0.56 0.00 0.00 175.26 175.72 3dur n SER 56 N -1.71 2.45 0.00 -1.70 7.64 -1.26 -1.97 113.62 117.07 3dur n SER 56 Ca 0.12 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.13 3dur n SER 56 Cb 0.51 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 3dur n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dur n GLY 57 N 2.31 3.14 3.72 0.23 0.00 -1.26 -5.04 105.19 108.29 3dur n GLY 57 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3dur n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dur s VAL 58 N -2.39 4.36 0.48 1.61 1.01 -0.83 -5.00 120.40 119.64 3dur s VAL 58 Ca 0.00 1.76 -0.23 0.00 0.00 0.00 0.00 61.98 63.52 3dur s VAL 58 Cb 0.00 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 3dur s VAL 58 CO 0.00 0.18 1.12 -2.65 0.00 0.00 0.00 175.10 173.75 3dur n PRO 59 N 3.54 1.44 0.00 2.72 -0.02 -1.26 -4.88 135.00 136.54 3dur n PRO 59 Ca 0.06 0.53 0.14 0.00 -2.02 0.00 0.00 63.50 62.21 3dur n PRO 59 Cb 0.48 -2.24 0.79 0.00 -0.02 0.00 0.00 33.50 32.51 3dur n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3dur n ASP 60 N -0.10 0.00 -0.40 2.55 3.85 -1.26 -2.14 116.55 119.05 3dur n ASP 60 Ca 0.10 -0.50 0.33 0.00 -0.71 0.00 0.00 54.79 54.01 3dur n ASP 60 Cb 0.42 -0.15 0.60 0.00 -1.35 0.00 0.00 41.12 40.64 3dur n ASP 60 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 3dur h ARG 61 N 0.00 0.12 -5.46 0.11 3.08 -1.90 -3.41 114.38 106.91 3dur h ARG 61 Ca 0.00 -0.01 -0.60 0.00 0.07 0.00 0.00 59.98 59.44 3dur h ARG 61 Cb 0.14 -0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.05 3dur h ARG 61 CO 0.00 0.08 -0.19 -0.06 -1.07 0.00 0.00 179.97 178.73 3dur s PHE 62 N -5.42 3.39 -0.05 3.04 0.40 -0.91 -1.42 117.98 117.02 3dur s PHE 62 Ca -0.08 0.65 0.01 0.00 -0.60 0.00 0.00 56.93 56.91 3dur s PHE 62 Cb 0.30 -2.52 0.02 0.00 0.51 0.00 0.00 43.02 41.33 3dur s PHE 62 CO 0.81 0.02 -0.06 0.99 0.70 0.00 0.00 175.22 177.67 3dur s THR 63 N 1.20 0.66 -0.01 0.64 2.01 -0.49 -4.98 115.64 114.67 3dur s THR 63 Ca 0.20 -0.21 -0.00 0.00 0.31 0.00 0.00 61.69 61.99 3dur s THR 63 Cb -0.15 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 3dur s THR 63 CO 0.08 0.25 0.06 -0.83 -0.69 0.00 0.00 174.62 173.49 3dur s GLY 64 N 0.79 1.98 0.29 4.40 0.00 -1.26 -1.05 107.32 112.46 3dur s GLY 64 Ca -0.12 -0.88 -0.05 0.00 0.00 0.00 0.00 44.72 43.67 3dur s GLY 64 CO 0.01 -0.75 0.41 -1.35 0.00 0.00 0.00 173.10 171.42 3dur s SER 65 N -1.65 0.48 0.00 1.64 1.04 -0.48 -4.21 113.70 110.52 3dur s SER 65 Ca 0.22 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.35 3dur s SER 65 Cb -0.12 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3dur s SER 65 CO 0.12 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.80 3dur n GLY 66 N -0.45 -3.49 3.60 7.32 0.00 -1.26 -1.57 105.19 109.34 3dur n GLY 66 Ca 0.01 -1.93 -0.05 0.00 0.00 0.00 0.00 46.02 44.05 3dur n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dur s SER 67 N -1.07 -0.15 0.38 1.61 0.15 -0.49 -4.89 113.70 109.23 3dur s SER 67 Ca 0.00 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.72 3dur s SER 67 Cb 0.00 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 3dur s SER 67 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 3dur n GLY 68 N 0.18 1.72 0.04 9.45 0.00 -1.26 -2.42 105.19 112.91 3dur n GLY 68 Ca -0.01 0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3dur n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dur n THR 69 N 0.00 0.00 -4.04 2.61 -2.24 -1.26 -0.60 114.28 108.75 3dur n THR 69 Ca 0.00 -0.42 -0.33 0.00 -2.27 0.00 0.00 64.05 61.02 3dur n THR 69 Cb 0.00 1.02 -0.15 0.00 -2.10 0.00 0.00 70.33 69.10 3dur n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dur s ASP 70 N -1.18 3.81 0.11 3.42 2.15 -1.01 -1.31 116.67 122.65 3dur s ASP 70 Ca 0.02 -0.81 0.06 0.00 0.43 0.00 0.00 52.55 52.26 3dur s ASP 70 Cb 0.03 -1.57 -0.04 0.00 -0.30 0.00 0.00 42.92 41.05 3dur s ASP 70 CO 0.15 -0.07 -0.15 -0.36 -0.17 0.00 0.00 175.17 174.57 3dur s PHE 71 N 1.29 1.44 0.01 -5.34 0.40 -0.04 -1.40 117.98 114.34 3dur s PHE 71 Ca 0.01 -0.51 -0.02 0.00 -0.60 0.00 0.00 56.93 55.81 3dur s PHE 71 Cb -0.15 -0.76 -0.01 0.00 0.51 0.00 0.00 43.02 42.60 3dur s PHE 71 CO -0.08 0.15 0.03 -0.08 0.70 0.00 0.00 175.22 175.93 3dur s THR 72 N -1.81 0.10 -0.11 0.64 -1.32 -0.61 -0.92 115.64 111.60 3dur s THR 72 Ca 0.07 -0.79 -0.03 0.00 -1.21 0.00 0.00 61.69 59.73 3dur s THR 72 Cb -0.07 -0.30 -0.03 0.00 -1.51 0.00 0.00 72.50 70.59 3dur s THR 72 CO 0.03 -0.43 -0.01 -0.22 -2.21 0.00 0.00 174.62 171.78 3dur s LEU 73 N -1.35 3.47 -0.06 9.08 2.96 -0.72 -1.39 118.68 130.67 3dur s LEU 73 Ca -0.15 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 3dur s LEU 73 Cb -0.09 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.80 3dur s LEU 73 CO -0.00 0.30 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.26 3dur s THR 74 N -0.40 1.47 -0.24 3.68 2.01 -0.22 -1.20 115.64 120.74 3dur s THR 74 Ca 0.07 -0.71 -0.00 0.00 0.31 0.00 0.00 61.69 61.36 3dur s THR 74 Cb -0.12 -1.29 0.03 0.00 0.01 0.00 0.00 72.50 71.14 3dur s THR 74 CO 0.02 0.43 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.65 3dur s ILE 75 N 0.29 2.58 -1.05 1.82 1.01 0.28 -1.39 121.20 124.73 3dur s ILE 75 Ca -0.10 -1.17 -0.12 0.00 0.00 0.00 0.00 60.65 59.25 3dur s ILE 75 Cb -0.14 -2.33 0.22 0.00 0.01 0.00 0.00 42.46 40.22 3dur s ILE 75 CO 0.04 0.19 1.12 0.20 0.00 0.00 0.00 174.94 176.48 3dur s ASN 76 N 1.26 7.06 0.00 3.58 -0.87 -0.51 -1.78 114.94 123.68 3dur s ASN 76 Ca -0.01 -3.07 0.00 0.00 -1.57 0.00 0.00 52.86 48.20 3dur s ASN 76 Cb -0.17 -2.28 0.00 0.00 -0.02 0.00 0.00 41.25 38.78 3dur s ASN 76 CO -0.06 -0.55 0.00 0.61 -2.57 0.00 0.00 177.10 174.53 3dur n GLY 77 N 3.65 0.76 3.72 0.66 0.00 -0.69 -4.81 105.19 108.48 3dur n GLY 77 Ca 0.25 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 3dur n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dur s VAL 78 N -1.32 2.13 0.21 1.61 1.01 0.16 -4.65 120.40 119.55 3dur s VAL 78 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.13 3dur s VAL 78 Cb 0.00 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 3dur s VAL 78 CO 0.00 0.01 0.25 -1.10 0.00 0.00 0.00 175.10 174.26 3dur s GLN 79 N 0.88 3.19 0.37 2.72 -1.52 -1.26 -0.03 119.66 124.01 3dur s GLN 79 Ca 0.72 -0.83 0.10 0.00 -1.95 0.00 0.00 55.36 53.40 3dur s GLN 79 Cb -0.48 -2.76 0.85 0.00 -0.22 0.00 0.00 33.01 30.39 3dur s GLN 79 CO 0.35 0.45 1.88 0.00 -0.25 0.00 0.00 175.29 177.72 3dur h ALA 80 N 1.70 1.87 -0.42 6.09 0.00 -2.00 0.99 119.26 127.49 3dur h ALA 80 Ca -0.49 0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.55 3dur h ALA 80 Cb 1.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3dur h ALA 80 CO 0.63 -0.09 0.42 0.93 0.00 0.00 0.00 179.25 181.14 3dur h GLU 81 N 0.66 0.00 -0.00 0.00 3.07 -2.02 -2.80 114.58 113.48 3dur h GLU 81 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 3dur h GLU 81 Cb 0.70 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 3dur h GLU 81 CO -0.18 0.00 -0.01 -0.25 -1.40 0.00 0.00 179.01 177.17 3dur n ASP 82 N -3.81 0.04 -4.63 1.42 8.00 0.34 -4.81 116.55 113.09 3dur n ASP 82 Ca 0.07 -0.49 -0.43 0.00 0.71 0.00 0.00 54.79 54.65 3dur n ASP 82 Cb 0.60 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 3dur n ASP 82 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3dur n LEU 83 N -1.15 3.71 -3.59 0.64 -0.00 -1.06 -4.84 117.00 110.71 3dur n LEU 83 Ca 0.18 0.54 0.01 0.00 -0.00 0.00 0.00 56.01 56.74 3dur n LEU 83 Cb 0.20 -1.55 -0.01 0.00 -0.00 0.00 0.00 43.42 42.06 3dur n LEU 83 CO 0.21 -0.26 1.15 0.00 -0.00 0.00 0.00 177.39 178.50 3dur s ALA 84 N 6.49 -2.35 -0.11 1.96 0.00 -1.20 -4.45 121.76 122.11 3dur s ALA 84 Ca 0.95 1.13 -0.15 0.00 0.00 0.00 0.00 51.96 53.89 3dur s ALA 84 Cb -0.38 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 3dur s ALA 84 CO 0.38 -0.92 0.38 0.08 0.00 0.00 0.00 175.76 175.68 3dur s VAL 85 N -2.17 5.20 -0.21 0.00 1.01 -0.56 -0.92 120.40 122.75 3dur s VAL 85 Ca 0.14 0.75 -0.07 0.00 0.00 0.00 0.00 61.98 62.79 3dur s VAL 85 Cb 0.05 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3dur s VAL 85 CO -0.05 0.42 0.07 -0.31 0.00 0.00 0.00 175.10 175.23 3dur s TYR 86 N 0.10 3.17 -0.07 5.22 2.02 0.29 -1.32 117.35 126.75 3dur s TYR 86 Ca 0.21 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 3dur s TYR 86 Cb -0.15 -2.15 -0.02 0.00 -0.40 0.00 0.00 41.96 39.25 3dur s TYR 86 CO 0.08 -0.06 -0.15 0.71 -1.57 0.00 0.00 175.55 174.57 3dur s TYR 87 N 0.89 2.70 0.34 2.71 1.51 -0.19 -1.17 117.35 124.14 3dur s TYR 87 Ca 0.04 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 3dur s TYR 87 Cb -0.14 -1.68 -0.03 0.00 -0.11 0.00 0.00 41.96 40.00 3dur s TYR 87 CO 0.03 0.04 0.55 0.00 -1.11 0.00 0.00 175.55 175.05 3dur s LYS 89 N -4.30 0.43 0.21 0.00 2.20 -0.11 -0.74 119.74 117.42 3dur s LYS 89 Ca 0.40 1.00 -0.30 0.00 -0.36 0.00 0.00 55.97 56.71 3dur s LYS 89 Cb -0.10 0.20 -0.08 0.00 -1.51 0.00 0.00 37.83 36.35 3dur s LYS 89 CO 0.36 -0.19 0.94 1.14 -0.36 0.00 0.00 175.35 177.24 3dur s GLN 90 N 2.00 4.82 -0.11 4.03 1.03 -0.43 -1.18 119.66 129.81 3dur s GLN 90 Ca -0.06 1.48 0.14 0.00 0.04 0.00 0.00 55.36 56.95 3dur s GLN 90 Cb -0.10 -3.30 0.28 0.00 0.03 0.00 0.00 33.01 29.92 3dur s GLN 90 CO -0.14 0.45 1.14 -1.13 -2.54 0.00 0.00 175.29 173.06 3dur n SER 91 N 1.81 1.61 -0.13 12.60 3.41 0.06 -2.18 113.62 130.81 3dur n SER 91 Ca -0.01 -2.97 -0.13 0.00 -0.26 0.00 0.00 58.87 55.50 3dur n SER 91 Cb 0.48 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 3dur n SER 91 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3dur h TYR 92 N 0.33 1.11 -2.75 7.33 3.20 -1.91 -3.42 116.97 120.86 3dur h TYR 92 Ca -0.02 -0.32 -0.43 0.00 3.14 0.00 0.00 58.73 61.10 3dur h TYR 92 Cb 1.17 -0.24 -0.39 0.00 1.54 0.00 0.00 36.73 38.81 3dur h TYR 92 CO 0.22 1.15 -0.71 1.21 -1.64 0.00 0.00 178.16 178.38 3dur s ASN 93 N -6.79 2.32 0.69 -2.11 2.47 -1.26 -5.05 114.94 105.21 3dur s ASN 93 Ca -0.11 -0.70 0.00 0.00 0.42 0.00 0.00 52.86 52.47 3dur s ASN 93 Cb 0.11 -0.03 0.00 0.00 -1.45 0.00 0.00 41.25 39.89 3dur s ASN 93 CO 0.88 -0.37 0.00 0.18 -3.72 0.00 0.00 177.10 174.06 3dur n LEU 94 N 5.29 0.00 -3.82 3.21 4.77 -1.26 -4.73 117.00 120.45 3dur n LEU 94 Ca -0.06 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 3dur n LEU 94 Cb 0.47 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 3dur n LEU 94 CO 0.07 0.00 -0.14 -0.13 -1.33 0.00 0.00 177.39 175.86 3dur s ARG 95 N 0.00 0.37 -0.08 3.23 3.00 -1.26 -4.31 118.95 119.90 3dur s ARG 95 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 55.73 55.68 3dur s ARG 95 Cb 0.00 0.16 0.04 0.00 0.00 0.00 0.00 34.95 35.16 3dur s ARG 95 CO 0.00 -0.08 0.17 0.99 0.00 0.00 0.00 175.30 176.39 3dur s THR 96 N -0.58 -0.14 0.31 0.02 2.01 -0.92 -5.01 115.64 111.31 3dur s THR 96 Ca -0.07 0.24 -0.13 0.00 0.31 0.00 0.00 61.69 62.04 3dur s THR 96 Cb -0.04 -0.29 -0.08 0.00 0.01 0.00 0.00 72.50 72.10 3dur s THR 96 CO 0.01 0.10 0.68 -0.36 -0.69 0.00 0.00 174.62 174.36 3dur s PHE 97 N 1.61 3.40 1.13 4.92 0.08 -1.26 -1.31 117.98 126.55 3dur s PHE 97 Ca -0.05 1.08 -0.19 0.00 0.12 0.00 0.00 56.93 57.90 3dur s PHE 97 Cb -0.12 -2.43 0.27 0.00 -0.57 0.00 0.00 43.02 40.17 3dur s PHE 97 CO -0.06 0.12 1.21 0.20 -0.10 0.00 0.00 175.22 176.58 3dur s GLY 98 N -2.43 1.68 0.00 4.36 0.00 0.08 -4.79 107.32 106.21 3dur s GLY 98 Ca 0.52 -1.13 0.24 0.00 0.00 0.00 0.00 44.72 44.35 3dur s GLY 98 CO 0.20 -0.26 1.82 0.61 0.00 0.00 0.00 173.10 175.48 3dur n GLY 99 N -2.13 -0.87 0.01 0.20 0.00 -1.26 -4.85 105.19 96.29 3dur n GLY 99 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3dur n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dur n GLY 100 N 0.61 -2.70 2.93 -0.02 0.00 -1.26 -4.97 105.19 99.78 3dur n GLY 100 Ca 0.16 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 3dur n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dur s THR 101 N -3.42 1.29 -0.17 2.61 2.01 -0.32 -4.63 115.64 113.00 3dur s THR 101 Ca 0.00 -0.68 -0.29 0.00 0.31 0.00 0.00 61.69 61.03 3dur s THR 101 Cb 0.00 -1.39 -0.00 0.00 0.01 0.00 0.00 72.50 71.12 3dur s THR 101 CO 0.00 0.21 1.02 -0.75 -0.69 0.00 0.00 174.62 174.41 3dur s LYS 102 N 1.56 4.34 -0.37 4.92 2.20 -0.35 -0.55 119.74 131.49 3dur s LYS 102 Ca 0.01 1.37 -0.16 0.00 -0.36 0.00 0.00 55.97 56.83 3dur s LYS 102 Cb -0.15 -3.59 -0.00 0.00 -1.51 0.00 0.00 37.83 32.58 3dur s LYS 102 CO -0.08 -0.48 0.41 -1.17 -0.36 0.00 0.00 175.35 173.67 3dur s LEU 103 N 2.62 4.55 0.21 5.43 2.96 -0.10 -0.29 118.68 134.07 3dur s LEU 103 Ca 0.46 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 54.08 3dur s LEU 103 Cb -0.17 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 3dur s LEU 103 CO 0.12 -0.44 0.27 -1.61 -1.32 0.00 0.00 176.35 173.37 3dur s GLU 104 N 2.12 3.24 -0.12 1.98 2.02 0.16 -3.22 118.70 124.87 3dur s GLU 104 Ca 0.13 -0.81 -0.03 0.00 0.02 0.00 0.00 54.97 54.28 3dur s GLU 104 Cb -0.16 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.25 3dur s GLU 104 CO 0.13 0.45 -0.03 -0.51 0.02 0.00 0.00 175.26 175.31 3dur s LEU 105 N -3.66 3.33 0.00 1.80 1.43 -1.26 -2.78 118.68 117.53 3dur s LEU 105 Ca 0.33 -0.04 0.19 0.00 -1.03 0.00 0.00 54.13 53.58 3dur s LEU 105 Cb -0.09 -1.78 0.15 0.00 0.03 0.00 0.00 46.19 44.50 3dur s LEU 105 CO 0.27 0.25 1.10 0.29 0.23 0.00 0.00 176.35 178.49