#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dmo h HIS -1 N 0.00 0.40 -0.49 -1.40 3.86 -2.00 -1.00 115.15 114.52 3dmo h HIS -1 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3dmo h HIS -1 Cb 0.00 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.36 3dmo h HIS -1 CO 0.00 0.01 0.00 0.72 0.86 0.00 0.00 177.93 179.52 3dmo n HIS 0 N -4.46 0.65 -3.96 2.45 -0.00 -1.26 -4.84 115.22 103.80 3dmo n HIS 0 Ca 0.26 -0.45 -0.31 0.00 -0.00 0.00 0.00 57.72 57.23 3dmo n HIS 0 Cb 1.06 -0.01 -0.15 0.00 -0.00 0.00 0.00 29.99 30.89 3dmo n HIS 0 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 3dmo s MET 1 N -1.05 1.65 0.68 -0.41 0.00 -0.38 -5.11 119.30 114.68 3dmo s MET 1 Ca 0.35 -1.16 -0.11 0.00 0.00 0.00 0.00 55.69 54.76 3dmo s MET 1 Cb 0.18 -2.67 -0.00 0.00 0.00 0.00 0.00 34.83 32.34 3dmo s MET 1 CO 0.24 -0.66 1.07 0.95 0.00 0.00 0.00 175.02 176.62 3dmo s THR 2 N 1.30 3.94 0.25 10.11 -4.23 -1.26 -4.86 115.64 120.89 3dmo s THR 2 Ca -0.03 0.63 -0.05 0.00 -1.18 0.00 0.00 61.69 61.06 3dmo s THR 2 Cb -0.19 -3.59 0.26 0.00 1.34 0.00 0.00 72.50 70.32 3dmo s THR 2 CO -0.08 -0.82 1.91 0.45 -0.54 0.00 0.00 174.62 175.54 3dmo h HIS 3 N -0.56 1.23 -0.46 3.99 -0.00 -1.99 -1.71 115.15 115.65 3dmo h HIS 3 Ca -0.45 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 59.96 3dmo h HIS 3 Cb 1.23 -0.41 -0.02 0.00 -0.00 0.00 0.00 27.41 28.20 3dmo h HIS 3 CO 0.56 0.72 0.30 1.25 -0.00 0.00 0.00 177.93 180.77 3dmo h HIS 4 N 1.28 0.56 -0.67 2.45 -0.00 -1.99 -0.53 115.15 116.25 3dmo h HIS 4 Ca 0.39 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.71 3dmo h HIS 4 Cb -0.03 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.16 3dmo h HIS 4 CO -0.00 0.35 0.19 0.00 -0.00 0.00 0.00 177.93 178.46 3dmo h ALA 5 N 1.18 0.89 -0.49 5.26 0.00 -1.88 -1.58 119.26 122.63 3dmo h ALA 5 Ca 0.17 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3dmo h ALA 5 Cb -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3dmo h ALA 5 CO -0.05 0.58 -0.11 1.25 0.00 0.00 0.00 179.25 180.92 3dmo h LEU 6 N 1.00 0.91 -0.51 0.00 6.46 -1.05 -2.08 115.31 120.04 3dmo h LEU 6 Ca 0.21 -0.29 -0.05 0.00 -0.12 0.00 0.00 57.88 57.64 3dmo h LEU 6 Cb 0.33 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 3dmo h LEU 6 CO -0.00 1.03 0.13 0.40 -0.62 0.00 0.00 178.44 179.38 3dmo h ILE 7 N 0.82 1.24 -0.68 4.05 2.04 -0.95 -1.18 117.51 122.85 3dmo h ILE 7 Ca 0.13 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.15 3dmo h ILE 7 Cb 0.64 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 3dmo h ILE 7 CO 0.04 0.30 0.44 -0.33 0.00 0.00 0.00 178.15 178.61 3dmo h GLU 8 N 0.70 0.90 -0.37 2.37 4.39 -1.10 -0.56 114.58 120.91 3dmo h GLU 8 Ca 0.16 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.66 3dmo h GLU 8 Cb 0.33 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3dmo h GLU 8 CO 0.00 0.61 -0.32 0.00 -1.16 0.00 0.00 179.01 178.13 3dmo h ALA 9 N 1.56 0.73 -0.70 3.43 0.00 -1.09 -2.07 119.26 121.13 3dmo h ALA 9 Ca 0.25 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3dmo h ALA 9 Cb -0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3dmo h ALA 9 CO -0.05 0.66 0.22 0.00 0.00 0.00 0.00 179.25 180.08 3dmo h ALA 10 N 0.94 1.08 -0.43 0.00 0.00 -0.53 -0.38 119.26 119.94 3dmo h ALA 10 Ca 0.07 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3dmo h ALA 10 Cb 0.88 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3dmo h ALA 10 CO 0.08 0.63 -0.17 0.87 0.00 0.00 0.00 179.25 180.66 3dmo h LYS 11 N 1.03 0.82 -0.68 0.00 1.57 -1.05 -0.78 116.57 117.49 3dmo h LYS 11 Ca 0.23 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 3dmo h LYS 11 Cb 0.28 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3dmo h LYS 11 CO -0.01 0.93 0.12 0.00 -0.57 0.00 0.00 179.45 179.92 3dmo h ALA 12 N 1.08 0.93 -0.36 3.86 0.00 -1.04 -2.93 119.26 120.80 3dmo h ALA 12 Ca 0.11 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3dmo h ALA 12 Cb 0.68 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3dmo h ALA 12 CO 0.05 0.67 0.21 0.00 0.00 0.00 0.00 179.25 180.18 3dmo h ALA 13 N 1.08 0.45 -0.86 0.00 0.00 -0.84 -2.96 119.26 116.13 3dmo h ALA 13 Ca 0.21 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.27 3dmo h ALA 13 Cb 0.43 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3dmo h ALA 13 CO 0.01 -0.14 0.56 -0.09 0.00 0.00 0.00 179.25 179.60 3dmo h ARG 14 N 0.43 0.55 0.00 0.00 2.43 -0.97 -1.29 114.38 115.53 3dmo h ARG 14 Ca 0.14 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3dmo h ARG 14 Cb -0.00 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3dmo h ARG 14 CO -0.06 0.36 -0.01 0.93 -1.51 0.00 0.00 179.97 179.68 3dmo h GLU 15 N 0.56 0.00 -0.19 0.20 4.39 -1.37 -2.08 114.58 116.09 3dmo h GLU 15 Ca 0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.13 3dmo h GLU 15 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 3dmo h GLU 15 CO -0.18 0.01 0.00 1.63 -1.16 0.00 0.00 179.01 179.31 3dmo n LYS 16 N -3.38 2.06 -1.63 2.33 5.02 -0.49 -4.98 118.16 117.09 3dmo n LYS 16 Ca -0.03 -1.58 -0.40 0.00 -2.02 0.00 0.00 58.31 54.29 3dmo n LYS 16 Cb 0.10 -1.46 0.03 0.00 -0.02 0.00 0.00 35.03 33.69 3dmo n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dmo n ALA 17 N 0.83 0.43 -3.71 7.82 0.00 -0.78 -4.97 120.51 120.12 3dmo n ALA 17 Ca 0.17 0.14 -0.37 0.00 0.00 0.00 0.00 53.44 53.38 3dmo n ALA 17 Cb 0.47 -2.13 -0.10 0.00 0.00 0.00 0.00 19.45 17.68 3dmo n ALA 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3dmo s TYR 18 N -1.36 3.46 -0.42 0.00 5.04 -0.74 -4.97 117.35 118.36 3dmo s TYR 18 Ca 0.68 -2.58 0.11 0.00 -2.44 0.00 0.00 57.07 52.83 3dmo s TYR 18 Cb -0.49 -3.24 0.36 0.00 0.35 0.00 0.00 41.96 38.94 3dmo s TYR 18 CO 0.53 -0.89 0.81 0.00 -1.34 0.00 0.00 175.55 174.66 3dmo n ALA 19 N 3.84 2.79 0.87 3.97 0.00 -1.26 -0.44 120.51 130.28 3dmo n ALA 19 Ca 0.05 -3.71 0.11 0.00 0.00 0.00 0.00 53.44 49.89 3dmo n ALA 19 Cb 0.39 -0.88 0.52 0.00 0.00 0.00 0.00 19.45 19.48 3dmo n ALA 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dmo n PRO 20 N 0.12 0.09 -0.11 0.00 -0.04 -1.26 -0.86 135.00 132.94 3dmo n PRO 20 Ca 0.26 0.10 -0.21 0.00 -0.04 0.00 0.00 63.50 63.61 3dmo n PRO 20 Cb 0.61 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 3dmo n PRO 20 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3dmo n TYR 21 N -1.45 0.82 0.09 0.54 4.02 -1.26 -4.43 117.16 115.50 3dmo n TYR 21 Ca 0.07 0.36 -0.01 0.00 -0.01 0.00 0.00 57.90 58.31 3dmo n TYR 21 Cb 0.25 -1.03 -0.04 0.00 -0.02 0.00 0.00 39.34 38.50 3dmo n TYR 21 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3dmo h SER 22 N -1.00 0.00 -3.00 7.72 4.64 -1.98 -3.47 113.55 116.46 3dmo h SER 22 Ca -0.35 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.64 3dmo h SER 22 Cb 1.24 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.29 3dmo h SER 22 CO -0.21 0.67 -0.40 0.59 -0.87 0.00 0.00 176.83 176.61 3dmo n ASN 23 N -3.19 -4.80 -4.05 4.97 3.02 -0.04 -4.96 115.26 106.21 3dmo n ASN 23 Ca -0.01 0.15 -0.32 0.00 -0.03 0.00 0.00 54.58 54.36 3dmo n ASN 23 Cb 0.82 -4.08 -0.14 0.00 -0.61 0.00 0.00 39.78 35.77 3dmo n ASN 23 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3dmo s PHE 24 N -2.74 3.69 0.01 3.10 5.36 -1.26 -5.07 117.98 121.07 3dmo s PHE 24 Ca 0.00 -2.84 -0.24 0.00 -0.96 0.00 0.00 56.93 52.89 3dmo s PHE 24 Cb 0.00 -3.01 -0.05 0.00 -0.34 0.00 0.00 43.02 39.62 3dmo s PHE 24 CO 0.00 -0.95 0.73 0.15 -1.46 0.00 0.00 175.22 173.69 3dmo s LYS 25 N 0.91 4.45 0.02 10.12 1.02 -1.26 -4.90 119.74 130.10 3dmo s LYS 25 Ca 0.11 0.97 0.06 0.00 0.02 0.00 0.00 55.97 57.13 3dmo s LYS 25 Cb -0.20 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.71 3dmo s LYS 25 CO -0.07 0.25 -0.18 0.08 -0.92 0.00 0.00 175.35 174.52 3dmo s VAL 26 N 0.10 1.42 0.13 3.17 1.01 -1.26 -4.36 120.40 120.61 3dmo s VAL 26 Ca 0.37 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.46 3dmo s VAL 26 Cb -0.20 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3dmo s VAL 26 CO 0.21 0.23 -0.17 -0.83 0.00 0.00 0.00 175.10 174.54 3dmo s GLY 27 N -0.86 1.22 0.02 4.51 0.00 -0.60 -2.99 107.32 108.61 3dmo s GLY 27 Ca 0.06 -1.33 -0.02 0.00 0.00 0.00 0.00 44.72 43.42 3dmo s GLY 27 CO 0.01 -1.37 0.02 0.00 0.00 0.00 0.00 173.10 171.76 3dmo s ALA 28 N -1.82 0.02 -0.04 3.20 0.00 0.09 -0.89 121.76 122.33 3dmo s ALA 28 Ca 0.10 -0.52 -0.00 0.00 0.00 0.00 0.00 51.96 51.54 3dmo s ALA 28 Cb -0.07 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.24 3dmo s ALA 28 CO 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 175.76 175.61 3dmo s ALA 29 N -1.73 0.35 -0.12 0.00 0.00 -0.08 -0.80 121.76 119.38 3dmo s ALA 29 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.97 3dmo s ALA 29 Cb -0.07 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 3dmo s ALA 29 CO -0.01 -0.16 -0.14 -1.17 0.00 0.00 0.00 175.76 174.28 3dmo s LEU 30 N 1.25 2.67 -0.11 0.00 2.96 0.01 -0.54 118.68 124.91 3dmo s LEU 30 Ca -0.07 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 3dmo s LEU 30 Cb -0.13 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 3dmo s LEU 30 CO -0.02 0.18 -0.15 0.54 -1.32 0.00 0.00 176.35 175.57 3dmo s VAL 31 N 0.28 2.88 0.70 1.68 0.11 0.11 -0.17 120.40 125.98 3dmo s VAL 31 Ca -0.10 -0.74 -0.02 0.00 -2.93 0.00 0.00 61.98 58.19 3dmo s VAL 31 Cb -0.16 -2.18 0.10 0.00 -1.53 0.00 0.00 36.38 32.61 3dmo s VAL 31 CO 0.06 0.54 0.97 0.42 -3.33 0.00 0.00 175.10 173.76 3dmo s THR 32 N 0.20 2.27 0.45 5.04 -4.23 0.13 -0.93 115.64 118.57 3dmo s THR 32 Ca -0.09 -0.51 0.19 0.00 -1.18 0.00 0.00 61.69 60.10 3dmo s THR 32 Cb -0.15 -2.76 0.39 0.00 1.34 0.00 0.00 72.50 71.31 3dmo s THR 32 CO 0.05 0.00 1.90 -0.55 -0.54 0.00 0.00 174.62 175.48 3dmo h ASN 33 N -0.49 0.30 -0.68 3.99 7.08 -0.94 -1.28 115.58 123.57 3dmo h ASN 33 Ca -0.40 0.02 0.00 0.00 -3.08 0.00 0.00 56.30 52.85 3dmo h ASN 33 Cb 1.28 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 37.49 3dmo h ASN 33 CO 0.46 0.14 0.00 -0.90 -2.08 0.00 0.00 177.43 175.05 3dmo n ASP 34 N -4.45 4.73 0.00 6.14 3.85 -1.26 -4.95 116.55 120.60 3dmo n ASP 34 Ca 0.16 -2.38 0.00 0.00 -0.71 0.00 0.00 54.79 51.86 3dmo n ASP 34 Cb 0.66 -0.58 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 3dmo n ASP 34 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3dmo n GLY 35 N 1.26 0.75 3.76 6.12 0.00 -0.48 -5.04 105.19 111.55 3dmo n GLY 35 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 3dmo n GLY 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dmo s LYS 36 N -0.34 4.58 -0.12 1.61 2.20 -1.26 -4.72 119.74 121.69 3dmo s LYS 36 Ca 0.00 1.71 -0.01 0.00 -0.36 0.00 0.00 55.97 57.30 3dmo s LYS 36 Cb 0.00 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.21 3dmo s LYS 36 CO 0.00 0.19 -0.07 0.08 -0.36 0.00 0.00 175.35 175.19 3dmo s VAL 37 N -1.26 3.63 -0.12 4.02 1.01 -1.26 -0.69 120.40 125.73 3dmo s VAL 37 Ca 0.46 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3dmo s VAL 37 Cb -0.29 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 3dmo s VAL 37 CO 0.37 0.53 -0.20 -0.36 0.00 0.00 0.00 175.10 175.44 3dmo s PHE 38 N 0.02 2.66 0.28 5.22 0.08 0.76 -4.95 117.98 122.05 3dmo s PHE 38 Ca -0.01 -1.02 -0.22 0.00 0.12 0.00 0.00 56.93 55.79 3dmo s PHE 38 Cb -0.14 -1.78 -0.09 0.00 -0.57 0.00 0.00 43.02 40.44 3dmo s PHE 38 CO 0.03 -0.42 0.83 -1.01 -0.10 0.00 0.00 175.22 174.55 3dmo s HIS 39 N 0.49 3.65 0.03 0.36 3.76 -1.26 -0.81 115.29 121.51 3dmo s HIS 39 Ca -0.13 1.56 0.02 0.00 -0.15 0.00 0.00 55.06 56.36 3dmo s HIS 39 Cb -0.17 -2.76 -0.02 0.00 1.11 0.00 0.00 32.58 30.74 3dmo s HIS 39 CO 0.05 0.26 -0.07 0.20 -0.85 0.00 0.00 174.74 174.33 3dmo s GLY 40 N -1.68 0.43 0.08 -2.22 0.00 0.02 -4.19 107.32 99.77 3dmo s GLY 40 Ca 0.47 -0.70 -0.04 0.00 0.00 0.00 0.00 44.72 44.45 3dmo s GLY 40 CO 0.22 -0.75 0.09 0.00 0.00 0.00 0.00 173.10 172.65 3dmo s ASN 42 N -2.92 6.28 -0.20 0.00 4.22 -1.16 -3.60 114.94 117.56 3dmo s ASN 42 Ca 0.09 2.27 -0.03 0.00 -2.14 0.00 0.00 52.86 53.05 3dmo s ASN 42 Cb 0.06 -2.60 0.06 0.00 1.28 0.00 0.00 41.25 40.06 3dmo s ASN 42 CO -0.08 -0.84 0.04 -0.69 -2.04 0.00 0.00 177.10 173.50 3dmo s VAL 43 N -1.56 0.51 0.54 3.54 1.01 0.28 -1.80 120.40 122.92 3dmo s VAL 43 Ca 0.62 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 3dmo s VAL 43 Cb -0.28 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.07 3dmo s VAL 43 CO 0.34 -0.26 0.78 -1.61 0.00 0.00 0.00 175.10 174.35 3dmo s GLU 44 N 1.86 2.72 0.01 2.72 2.02 0.41 -0.93 118.70 127.51 3dmo s GLU 44 Ca 0.00 -0.54 -0.06 0.00 0.02 0.00 0.00 54.97 54.39 3dmo s GLU 44 Cb -0.17 -2.45 -0.00 0.00 0.10 0.00 0.00 34.13 31.60 3dmo s GLU 44 CO -0.10 -0.62 0.11 1.21 0.02 0.00 0.00 175.26 175.87 3dmo s ASN 45 N -4.35 0.08 0.45 -0.19 3.84 -1.26 -4.87 114.94 108.64 3dmo s ASN 45 Ca 0.54 -0.30 0.11 0.00 0.21 0.00 0.00 52.86 53.43 3dmo s ASN 45 Cb -0.10 0.19 1.03 0.00 -0.55 0.00 0.00 41.25 41.82 3dmo s ASN 45 CO 0.40 -0.38 2.08 0.00 -2.79 0.00 0.00 177.10 176.41 3dmo h ALA 46 N 4.23 1.85 -1.85 1.71 0.00 -2.00 -3.24 119.26 119.97 3dmo h ALA 46 Ca -0.31 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 53.94 3dmo h ALA 46 Cb 1.19 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.74 3dmo h ALA 46 CO 0.42 0.12 0.38 0.45 0.00 0.00 0.00 179.25 180.62 3dmo s SER 47 N -6.77 6.25 0.44 0.00 0.15 -1.26 -4.94 113.70 107.57 3dmo s SER 47 Ca -0.07 -0.76 0.17 0.00 0.70 0.00 0.00 55.95 55.99 3dmo s SER 47 Cb 0.17 -2.38 1.11 0.00 -1.71 0.00 0.00 66.02 63.22 3dmo s SER 47 CO 0.71 -1.19 1.93 1.88 1.20 0.00 0.00 173.24 177.77 3dmo h TYR 48 N 9.29 0.41 0.00 3.44 0.99 -2.01 -1.11 116.97 127.98 3dmo h TYR 48 Ca -0.27 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.47 3dmo h TYR 48 Cb 1.08 -0.13 0.00 0.00 1.00 0.00 0.00 36.73 38.68 3dmo h TYR 48 CO 0.88 0.15 0.00 0.41 -0.00 0.00 0.00 178.16 179.60 3dmo n GLY 49 N -1.54 -0.76 1.06 3.88 0.00 -1.26 -1.47 105.19 105.10 3dmo n GLY 49 Ca 0.14 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.37 3dmo n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dmo n LEU 50 N -1.89 3.24 -4.77 0.99 4.77 -0.42 -4.96 117.00 113.97 3dmo n LEU 50 Ca -0.00 -1.24 -0.40 0.00 -0.03 0.00 0.00 56.01 54.34 3dmo n LEU 50 Cb 0.05 -0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 3dmo n LEU 50 CO 0.07 0.62 1.06 0.00 -1.33 0.00 0.00 177.39 177.81 3dmo s ASN 52 N -0.52 3.17 0.46 0.00 2.47 -0.11 -4.99 114.94 115.43 3dmo s ASN 52 Ca 0.61 -0.47 -0.13 0.00 0.42 0.00 0.00 52.86 53.29 3dmo s ASN 52 Cb -0.43 -0.38 -0.07 0.00 -1.45 0.00 0.00 41.25 38.92 3dmo s ASN 52 CO 0.56 0.31 0.87 0.00 -3.72 0.00 0.00 177.10 175.11 3dmo h ALA 54 N 1.01 0.53 -0.39 0.00 0.00 -1.84 -0.45 119.26 118.11 3dmo h ALA 54 Ca -0.47 0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.63 3dmo h ALA 54 Cb 1.19 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 3dmo h ALA 54 CO 0.63 -0.37 0.17 0.93 0.00 0.00 0.00 179.25 180.61 3dmo h GLU 55 N 0.14 0.34 -0.31 0.00 3.07 -1.88 -0.90 114.58 115.05 3dmo h GLU 55 Ca 0.27 -0.02 -0.16 0.00 -0.50 0.00 0.00 59.36 58.96 3dmo h GLU 55 Cb 0.41 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 3dmo h GLU 55 CO -0.43 0.23 -0.43 0.00 -1.40 0.00 0.00 179.01 176.98 3dmo h ARG 56 N 0.36 0.77 -0.32 2.33 3.08 -1.83 -2.06 114.38 116.71 3dmo h ARG 56 Ca 0.17 -0.42 0.04 0.00 0.07 0.00 0.00 59.98 59.84 3dmo h ARG 56 Cb 0.11 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3dmo h ARG 56 CO -0.14 1.05 0.08 1.15 -1.07 0.00 0.00 179.97 181.04 3dmo h THR 57 N 0.62 0.87 -0.27 2.04 2.02 -0.71 0.10 112.91 117.58 3dmo h THR 57 Ca 0.04 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.16 3dmo h THR 57 Cb 1.00 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3dmo h THR 57 CO 0.09 0.04 0.16 0.00 0.37 0.00 0.00 175.52 176.18 3dmo h ALA 58 N 1.23 0.34 -0.41 6.16 0.00 -1.06 -1.58 119.26 123.93 3dmo h ALA 58 Ca 0.15 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3dmo h ALA 58 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3dmo h ALA 58 CO -0.18 -0.22 -0.04 -0.07 0.00 0.00 0.00 179.25 178.74 3dmo h LEU 59 N 0.33 0.75 -1.07 0.00 3.38 -1.14 -1.93 115.31 115.63 3dmo h LEU 59 Ca 0.11 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 3dmo h LEU 59 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3dmo h LEU 59 CO -0.05 0.90 0.10 -0.26 0.09 0.00 0.00 178.44 179.22 3dmo h PHE 60 N 0.57 0.79 -0.33 1.13 0.05 -0.75 -0.69 116.94 117.72 3dmo h PHE 60 Ca 0.11 -0.07 -0.02 0.00 3.82 0.00 0.00 57.97 61.80 3dmo h PHE 60 Cb 0.54 -0.23 -0.01 0.00 2.00 0.00 0.00 35.95 38.25 3dmo h PHE 60 CO 0.04 0.68 0.11 1.03 -0.18 0.00 0.00 178.31 179.99 3dmo h SER 61 N 0.73 0.47 -0.57 2.17 0.87 -1.14 -0.77 113.55 115.31 3dmo h SER 61 Ca 0.16 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 3dmo h SER 61 Cb 0.31 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 3dmo h SER 61 CO 0.00 0.53 0.24 0.00 -0.53 0.00 0.00 176.83 177.07 3dmo h ALA 62 N 0.95 0.74 -0.51 6.23 0.00 -1.09 -2.12 119.26 123.46 3dmo h ALA 62 Ca 0.11 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3dmo h ALA 62 Cb 0.22 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3dmo h ALA 62 CO -0.01 0.35 0.29 -0.07 0.00 0.00 0.00 179.25 179.81 3dmo h LEU 63 N 0.78 0.46 -2.39 0.00 -0.00 -0.98 -1.64 115.31 111.54 3dmo h LEU 63 Ca 0.19 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 58.08 3dmo h LEU 63 Cb 0.19 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 40.76 3dmo h LEU 63 CO -0.02 0.32 -0.02 0.00 -0.00 0.00 0.00 178.44 178.73 3dmo h ALA 64 N 1.24 1.51 -0.03 1.53 0.00 -0.94 -0.82 119.26 121.75 3dmo h ALA 64 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3dmo h ALA 64 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dmo h ALA 64 CO -0.11 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.16 3dmo n ALA 65 N -2.32 2.60 -0.09 0.00 0.00 -0.69 -4.92 120.51 115.09 3dmo n ALA 65 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3dmo n ALA 65 Cb 0.10 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3dmo n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dmo n GLY 66 N 1.09 0.95 3.83 0.00 0.00 -0.31 -5.08 105.19 105.67 3dmo n GLY 66 Ca 0.19 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3dmo n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dmo s TYR 67 N -2.00 3.54 0.31 1.61 2.02 -0.78 -5.01 117.35 117.03 3dmo s TYR 67 Ca 0.00 1.35 0.10 0.00 -0.37 0.00 0.00 57.07 58.15 3dmo s TYR 67 Cb 0.00 -2.61 -0.06 0.00 -0.40 0.00 0.00 41.96 38.89 3dmo s TYR 67 CO 0.00 0.23 -0.12 1.03 -1.57 0.00 0.00 175.55 175.11 3dmo s ARG 68 N -2.39 1.70 0.14 -0.62 0.52 -1.26 -4.07 118.95 112.97 3dmo s ARG 68 Ca 0.48 -1.84 -0.34 0.00 -0.52 0.00 0.00 55.73 53.51 3dmo s ARG 68 Cb -0.14 -1.58 -0.16 0.00 0.52 0.00 0.00 34.95 33.59 3dmo s ARG 68 CO 0.19 0.18 1.23 -2.30 0.02 0.00 0.00 175.30 174.62 3dmo n PRO 69 N -0.68 1.16 -0.29 3.54 -0.02 -1.26 -1.53 135.00 135.93 3dmo n PRO 69 Ca -0.05 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3dmo n PRO 69 Cb 0.62 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3dmo n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dmo n GLY 70 N 2.20 0.81 1.39 -1.23 0.00 -0.01 -4.94 105.19 103.41 3dmo n GLY 70 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 3dmo n GLY 70 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dmo n GLU 71 N -2.00 3.45 -4.72 1.61 1.02 -0.58 -4.91 120.64 114.50 3dmo n GLU 71 Ca 0.00 -2.20 -0.33 0.00 -0.02 0.00 0.00 57.16 54.61 3dmo n GLU 71 Cb 0.00 -1.90 -0.13 0.00 -0.02 0.00 0.00 31.44 29.39 3dmo n GLU 71 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3dmo s PHE 72 N -2.03 2.84 -0.13 -0.32 0.40 -1.26 -0.25 117.98 117.23 3dmo s PHE 72 Ca 0.39 -0.37 -0.17 0.00 -0.60 0.00 0.00 56.93 56.18 3dmo s PHE 72 Cb 0.27 -1.79 -0.26 0.00 0.51 0.00 0.00 43.02 41.76 3dmo s PHE 72 CO 0.15 -0.00 0.49 0.00 0.70 0.00 0.00 175.22 176.56 3dmo h ALA 73 N 6.15 0.20 -2.33 5.36 0.00 -1.24 -3.46 119.26 123.95 3dmo h ALA 73 Ca -0.35 -1.10 -0.04 0.00 0.00 0.00 0.00 54.91 53.42 3dmo h ALA 73 Cb 1.19 0.52 -0.17 0.00 0.00 0.00 0.00 17.79 19.33 3dmo h ALA 73 CO 0.55 0.80 0.21 0.00 0.00 0.00 0.00 179.25 180.81 3dmo s ALA 74 N -2.45 -1.72 -0.04 0.00 0.00 -1.15 -3.43 121.76 112.97 3dmo s ALA 74 Ca -0.22 1.05 0.02 0.00 0.00 0.00 0.00 51.96 52.81 3dmo s ALA 74 Cb 0.04 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.46 3dmo s ALA 74 CO 0.73 -0.51 -0.09 -1.50 0.00 0.00 0.00 175.76 174.39 3dmo s ILE 75 N -2.08 0.83 -0.09 0.00 2.07 -0.53 -0.71 121.20 120.69 3dmo s ILE 75 Ca -0.06 -0.35 -0.03 0.00 -1.41 0.00 0.00 60.65 58.80 3dmo s ILE 75 Cb -0.00 -0.76 -0.03 0.00 0.13 0.00 0.00 42.46 41.79 3dmo s ILE 75 CO 0.02 0.27 0.03 0.00 -1.91 0.00 0.00 174.94 173.35 3dmo s ALA 76 N 0.45 3.40 -0.03 1.50 0.00 0.30 -0.40 121.76 126.98 3dmo s ALA 76 Ca -0.08 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.13 3dmo s ALA 76 Cb -0.12 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.44 3dmo s ALA 76 CO 0.01 0.60 -0.12 0.08 0.00 0.00 0.00 175.76 176.33 3dmo s VAL 77 N -0.92 0.98 -0.00 0.00 1.01 -0.18 -0.90 120.40 120.39 3dmo s VAL 77 Ca 0.14 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3dmo s VAL 77 Cb -0.11 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.42 3dmo s VAL 77 CO 0.03 0.29 -0.00 0.54 0.00 0.00 0.00 175.10 175.96 3dmo s VAL 78 N 0.05 0.04 0.31 2.92 0.11 -0.07 -1.40 120.40 122.35 3dmo s VAL 78 Ca -0.01 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 3dmo s VAL 78 Cb -0.08 -0.06 0.00 0.00 -1.53 0.00 0.00 36.38 34.71 3dmo s VAL 78 CO 0.01 0.03 0.49 -0.83 -3.33 0.00 0.00 175.10 171.46 3dmo s GLY 79 N 0.16 1.07 -1.30 6.54 0.00 -1.22 -1.56 107.32 111.01 3dmo s GLY 79 Ca -0.01 -1.25 -0.14 0.00 0.00 0.00 0.00 44.72 43.32 3dmo s GLY 79 CO -0.00 -0.84 1.79 -2.21 0.00 0.00 0.00 173.10 171.84 3dmo n GLU 80 N -0.49 3.28 -4.45 2.90 4.07 -1.26 -3.14 120.64 121.55 3dmo n GLU 80 Ca -0.01 -3.36 -0.22 0.00 -0.06 0.00 0.00 57.16 53.51 3dmo n GLU 80 Cb 0.62 -3.18 -0.10 0.00 -0.06 0.00 0.00 31.44 28.71 3dmo n GLU 80 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3dmo s THR 81 N 2.29 1.99 0.04 6.31 -4.23 -1.26 -5.01 115.64 115.77 3dmo s THR 81 Ca 0.46 -2.23 -0.28 0.00 -1.18 0.00 0.00 61.69 58.46 3dmo s THR 81 Cb 0.06 -2.38 -0.17 0.00 1.34 0.00 0.00 72.50 71.35 3dmo s THR 81 CO 0.00 -0.36 1.39 -0.74 -0.54 0.00 0.00 174.62 174.37 3dmo h HIS 82 N 2.28 -0.62 -4.60 3.99 2.76 -1.99 -3.43 115.15 113.53 3dmo h HIS 82 Ca -0.40 -0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 57.59 3dmo h HIS 82 Cb 1.24 0.20 0.02 0.00 1.55 0.00 0.00 27.41 30.42 3dmo h HIS 82 CO 0.74 -0.31 0.00 0.41 -1.30 0.00 0.00 177.93 177.47 3dmo n GLY 83 N -0.85 1.49 3.70 5.26 0.00 -1.26 -4.97 105.19 108.56 3dmo n GLY 83 Ca -0.11 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.38 3dmo n GLY 83 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dmo n PRO 84 N -1.53 2.24 -1.75 1.61 -0.02 -1.26 -4.50 135.00 129.80 3dmo n PRO 84 Ca 0.06 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.92 3dmo n PRO 84 Cb 0.21 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.22 3dmo n PRO 84 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3dmo n ILE 85 N 1.54 1.57 -3.44 4.25 3.06 -0.87 -4.81 119.36 120.66 3dmo n ILE 85 Ca 0.09 -0.39 -0.39 0.00 -2.50 0.00 0.00 62.75 59.55 3dmo n ILE 85 Cb 0.34 -1.89 -0.10 0.00 0.54 0.00 0.00 39.64 38.54 3dmo n ILE 85 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3dmo s ALA 86 N -0.64 3.54 0.39 1.51 0.00 -1.26 -4.61 121.76 120.70 3dmo s ALA 86 Ca 0.58 -0.95 -0.28 0.00 0.00 0.00 0.00 51.96 51.32 3dmo s ALA 86 Cb -0.51 -2.67 -0.11 0.00 0.00 0.00 0.00 23.12 19.84 3dmo s ALA 86 CO 0.57 -0.70 1.46 -2.30 0.00 0.00 0.00 175.76 174.79 3dmo n PRO 87 N 5.27 2.56 -1.18 0.00 -0.02 -1.26 -4.99 135.00 135.38 3dmo n PRO 87 Ca -0.10 0.90 -0.30 0.00 -2.02 0.00 0.00 63.50 61.98 3dmo n PRO 87 Cb 0.51 -2.63 0.13 0.00 -0.02 0.00 0.00 33.50 31.48 3dmo n PRO 87 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dmo h GLY 89 N -1.46 1.27 0.92 0.00 0.00 -1.98 -1.19 103.07 100.63 3dmo h GLY 89 Ca -0.48 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 46.40 3dmo h GLY 89 CO 0.53 0.44 0.06 0.00 0.00 0.00 0.00 176.54 177.57 3dmo h ALA 90 N 1.45 0.16 -0.93 3.60 0.00 -2.00 -1.55 119.26 119.99 3dmo h ALA 90 Ca 0.33 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.28 3dmo h ALA 90 Cb -0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3dmo h ALA 90 CO -0.08 -0.38 0.61 0.00 0.00 0.00 0.00 179.25 179.40 3dmo h ARG 92 N 1.21 1.21 -0.56 0.00 3.08 -0.98 0.18 114.38 118.52 3dmo h ARG 92 Ca 0.36 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 3dmo h ARG 92 Cb -0.06 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.73 3dmo h ARG 92 CO -0.09 0.89 -0.08 0.37 -1.07 0.00 0.00 179.97 179.98 3dmo h GLN 93 N 1.21 1.05 -0.18 0.04 5.75 -0.83 -1.09 115.11 121.07 3dmo h GLN 93 Ca 0.30 -0.38 -0.16 0.00 -0.15 0.00 0.00 58.65 58.27 3dmo h GLN 93 Cb 0.04 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.52 3dmo h GLN 93 CO -0.05 1.07 -0.50 0.28 -2.65 0.00 0.00 178.83 176.98 3dmo h VAL 94 N 0.93 1.32 -0.99 2.39 2.07 -1.20 -2.72 116.25 118.06 3dmo h VAL 94 Ca 0.15 -1.75 0.05 0.00 0.82 0.00 0.00 66.70 65.97 3dmo h VAL 94 Cb 0.65 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 32.30 3dmo h VAL 94 CO 0.04 0.54 0.65 0.24 0.02 0.00 0.00 177.57 179.06 3dmo h MET 95 N 0.34 1.19 -0.24 1.57 2.86 -0.57 -0.57 114.93 119.50 3dmo h MET 95 Ca -0.01 -0.07 -0.18 0.00 -2.06 0.00 0.00 59.70 57.38 3dmo h MET 95 Cb 1.12 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 32.51 3dmo h MET 95 CO 0.11 0.78 -0.56 0.97 1.06 0.00 0.00 176.91 179.27 3dmo h ILE 96 N 1.22 1.29 -0.11 -1.22 2.10 -1.15 0.23 117.51 119.88 3dmo h ILE 96 Ca 0.40 -1.77 -0.04 0.00 1.08 0.00 0.00 64.86 64.53 3dmo h ILE 96 Cb 0.05 1.70 -0.00 0.00 -1.09 0.00 0.00 36.82 37.48 3dmo h ILE 96 CO -0.14 0.57 -0.10 -0.08 -1.08 0.00 0.00 178.15 177.32 3dmo h GLU 97 N 0.57 0.25 0.06 2.19 4.81 -1.27 -1.18 114.58 120.02 3dmo h GLU 97 Ca 0.01 -0.13 -0.26 0.00 -0.13 0.00 0.00 59.36 58.84 3dmo h GLU 97 Cb 1.15 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3dmo h GLU 97 CO 0.12 0.66 -1.32 -0.07 -0.73 0.00 0.00 179.01 177.67 3dmo h LEU 98 N -0.15 0.21 0.00 1.64 3.38 -1.14 -3.37 115.31 115.88 3dmo h LEU 98 Ca 0.02 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3dmo h LEU 98 Cb 0.61 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3dmo h LEU 98 CO 0.02 1.21 -1.57 0.61 0.09 0.00 0.00 178.44 178.81 3dmo n GLY 99 N 1.52 -0.97 0.57 0.83 0.00 0.82 -0.83 105.19 107.12 3dmo n GLY 99 Ca -0.09 -0.54 0.05 0.00 0.00 0.00 0.00 46.02 45.44 3dmo n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dmo n LYS 100 N -1.93 -1.36 -0.30 1.61 4.76 -0.45 -3.75 118.16 116.75 3dmo n LYS 100 Ca -0.01 1.10 0.30 0.00 -2.87 0.00 0.00 58.31 56.83 3dmo n LYS 100 Cb 0.46 -1.51 0.66 0.00 -1.84 0.00 0.00 35.03 32.80 3dmo n LYS 100 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3dmo h PRO 101 N -0.41 0.13 -0.00 1.97 0.11 -1.88 -1.54 132.00 130.37 3dmo h PRO 101 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3dmo h PRO 101 Cb 0.50 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3dmo h PRO 101 CO 0.02 0.09 -0.02 0.25 -0.21 0.00 0.00 178.00 178.13 3dmo n THR 102 N -4.35 0.00 -1.68 -1.15 -2.24 -1.26 -0.75 114.28 102.85 3dmo n THR 102 Ca 0.24 -0.05 -0.45 0.00 -2.27 0.00 0.00 64.05 61.52 3dmo n THR 102 Cb 1.07 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 69.00 3dmo n THR 102 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3dmo n LEU 103 N -0.83 3.44 -4.71 3.22 7.94 -0.58 -4.82 117.00 120.66 3dmo n LEU 103 Ca 0.20 1.06 -0.42 0.00 -1.11 0.00 0.00 56.01 55.75 3dmo n LEU 103 Cb 0.19 -1.47 -0.03 0.00 0.53 0.00 0.00 43.42 42.64 3dmo n LEU 103 CO 0.19 -0.11 0.79 -0.70 -1.11 0.00 0.00 177.39 176.45 3dmo s GLU 104 N 1.34 4.49 -0.20 1.96 2.12 -1.22 -1.71 118.70 125.48 3dmo s GLU 104 Ca 0.79 1.58 0.01 0.00 0.36 0.00 0.00 54.97 57.71 3dmo s GLU 104 Cb -0.62 -3.42 0.03 0.00 0.26 0.00 0.00 34.13 30.38 3dmo s GLU 104 CO 0.37 -0.17 -0.16 0.08 -0.54 0.00 0.00 175.26 174.84 3dmo s VAL 105 N 1.16 1.95 -0.37 3.70 1.01 0.11 -1.46 120.40 126.50 3dmo s VAL 105 Ca 0.55 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 3dmo s VAL 105 Cb -0.25 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.29 3dmo s VAL 105 CO 0.28 0.34 0.21 -0.69 0.00 0.00 0.00 175.10 175.24 3dmo s VAL 106 N 1.29 4.59 -0.13 2.92 1.01 0.46 -0.57 120.40 129.97 3dmo s VAL 106 Ca 0.01 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 3dmo s VAL 106 Cb -0.15 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3dmo s VAL 106 CO -0.10 -0.22 0.04 -0.76 0.00 0.00 0.00 175.10 174.06 3dmo s LEU 107 N 1.56 3.76 0.33 3.92 1.43 0.12 -1.01 118.68 128.79 3dmo s LEU 107 Ca 0.02 0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.21 3dmo s LEU 107 Cb -0.19 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.13 3dmo s LEU 107 CO 0.07 0.29 0.50 0.28 0.23 0.00 0.00 176.35 177.72 3dmo s THR 108 N -0.32 0.00 0.00 5.49 -1.32 -0.49 -1.10 115.64 117.89 3dmo s THR 108 Ca 0.08 -1.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.04 3dmo s THR 108 Cb -0.12 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.25 3dmo s THR 108 CO 0.02 0.00 0.00 -0.46 -2.21 0.00 0.00 174.62 171.97 3dmo n ASN 109 N -1.27 0.78 -1.30 8.08 0.23 -1.12 -2.04 115.26 118.62 3dmo n ASN 109 Ca -0.00 -0.10 0.09 0.00 -0.53 0.00 0.00 54.58 54.03 3dmo n ASN 109 Cb 0.61 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.61 3dmo n ASN 109 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3dmo n MET 110 N 0.00 2.98 -0.22 -3.83 2.81 -1.19 -4.23 117.12 113.45 3dmo n MET 110 Ca 0.00 -2.33 0.06 0.00 -1.81 0.00 0.00 57.70 53.62 3dmo n MET 110 Cb 0.00 -1.68 0.09 0.00 -0.71 0.00 0.00 33.22 30.91 3dmo n MET 110 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3dmo n GLN 111 N 1.06 0.86 -0.98 0.03 6.02 -1.26 -5.01 117.38 118.11 3dmo n GLN 111 Ca 0.21 -1.97 0.00 0.00 -0.01 0.00 0.00 57.00 55.23 3dmo n GLN 111 Cb 0.68 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.81 3dmo n GLN 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dmo n GLY 112 N -0.89 0.65 3.69 1.08 0.00 -1.26 -5.03 105.19 103.43 3dmo n GLY 112 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3dmo n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dmo s ASP 113 N -2.30 7.01 -0.03 1.61 1.01 -1.26 -4.98 116.67 117.74 3dmo s ASP 113 Ca 0.00 1.23 0.03 0.00 0.71 0.00 0.00 52.55 54.52 3dmo s ASP 113 Cb 0.00 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.47 3dmo s ASP 113 CO 0.00 -0.31 -0.12 -0.69 0.21 0.00 0.00 175.17 174.26 3dmo s VAL 114 N 1.68 0.98 0.03 -1.27 1.01 -1.26 -2.78 120.40 118.79 3dmo s VAL 114 Ca 0.39 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.93 3dmo s VAL 114 Cb -0.17 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 3dmo s VAL 114 CO 0.16 0.29 -0.09 0.00 0.00 0.00 0.00 175.10 175.46 3dmo s ARG 115 N 0.10 0.59 -0.15 2.72 1.70 -0.26 -4.98 118.95 118.68 3dmo s ARG 115 Ca -0.02 -0.59 -0.02 0.00 -0.47 0.00 0.00 55.73 54.62 3dmo s ARG 115 Cb -0.09 -0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 33.79 3dmo s ARG 115 CO 0.01 0.11 -0.08 0.08 -1.08 0.00 0.00 175.30 174.34 3dmo s VAL 116 N -0.88 3.52 0.00 4.99 1.01 -1.26 -0.70 120.40 127.08 3dmo s VAL 116 Ca -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3dmo s VAL 116 Cb -0.07 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3dmo s VAL 116 CO 0.00 0.50 0.00 1.07 0.00 0.00 0.00 175.10 176.68 3dmo n THR 117 N 3.57 0.00 -4.26 3.92 5.66 0.26 -5.00 114.28 118.43 3dmo n THR 117 Ca -0.18 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.68 3dmo n THR 117 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 3dmo n THR 117 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3dmo s SER 118 N -0.20 1.74 0.28 1.09 1.04 -1.26 -0.71 113.70 115.68 3dmo s SER 118 Ca 0.00 -1.07 -0.03 0.00 0.48 0.00 0.00 55.95 55.34 3dmo s SER 118 Cb 0.00 0.01 0.39 0.00 0.10 0.00 0.00 66.02 66.52 3dmo s SER 118 CO 0.00 -0.39 1.92 0.00 0.98 0.00 0.00 173.24 175.75 3dmo h ALA 119 N 2.72 1.33 -0.59 5.32 0.00 -1.24 -2.14 119.26 124.66 3dmo h ALA 119 Ca -0.37 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3dmo h ALA 119 Cb 1.20 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3dmo h ALA 119 CO 0.64 0.57 0.13 0.78 0.00 0.00 0.00 179.25 181.37 3dmo h GLY 120 N 1.11 1.03 1.59 0.00 0.00 -1.19 -2.52 103.07 103.08 3dmo h GLY 120 Ca 0.28 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 3dmo h GLY 120 CO -0.05 0.61 -0.11 -0.55 0.00 0.00 0.00 176.54 176.44 3dmo h ASP 121 N 0.86 0.48 0.92 0.19 3.32 -1.73 -2.67 116.42 117.79 3dmo h ASP 121 Ca 0.18 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3dmo h ASP 121 Cb 0.37 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3dmo h ASP 121 CO 0.00 0.63 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.88 3dmo h LEU 122 N 0.46 0.00 -6.37 1.55 3.38 -1.20 -3.37 115.31 109.76 3dmo h LEU 122 Ca 0.09 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.47 3dmo h LEU 122 Cb 0.47 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.84 3dmo h LEU 122 CO 0.03 0.20 -0.95 -0.11 0.09 0.00 0.00 178.44 177.70 3dmo n LEU 123 N -3.37 0.17 -4.77 1.67 7.94 -0.97 -5.06 117.00 112.62 3dmo n LEU 123 Ca 0.00 -4.56 -0.41 0.00 -1.11 0.00 0.00 56.01 49.93 3dmo n LEU 123 Cb 0.41 0.38 -0.02 0.00 0.53 0.00 0.00 43.42 44.72 3dmo n LEU 123 CO 0.33 1.90 0.95 -2.16 -1.11 0.00 0.00 177.39 177.29 3dmo s PRO 124 N -0.44 4.37 -1.16 1.96 0.04 -1.19 -3.22 135.00 135.35 3dmo s PRO 124 Ca 0.33 2.16 -0.23 0.00 0.04 0.00 0.00 61.00 63.29 3dmo s PRO 124 Cb 0.06 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.54 3dmo s PRO 124 CO -0.17 -0.15 0.76 -3.47 0.04 0.00 0.00 177.00 174.01 3dmo n ASP 125 N 0.81 -4.92 -4.75 6.66 2.03 -1.26 -4.90 116.55 110.21 3dmo n ASP 125 Ca 0.00 -1.08 -0.35 0.00 0.52 0.00 0.00 54.79 53.89 3dmo n ASP 125 Cb 0.42 -3.02 0.05 0.00 -0.72 0.00 0.00 41.12 37.85 3dmo n ASP 125 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dmo s ALA 126 N -3.49 2.43 0.16 -1.67 0.00 -1.20 -5.00 121.76 112.98 3dmo s ALA 126 Ca 0.47 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 3dmo s ALA 126 Cb -0.19 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.45 3dmo s ALA 126 CO 0.89 -1.34 1.12 0.12 0.00 0.00 0.00 175.76 176.55 3dmo s PHE 127 N -1.89 3.55 0.08 0.00 5.36 -1.26 -5.06 117.98 118.76 3dmo s PHE 127 Ca 0.74 1.54 0.03 0.00 -0.96 0.00 0.00 56.93 58.27 3dmo s PHE 127 Cb -0.27 -3.31 -0.03 0.00 -0.34 0.00 0.00 43.02 39.06 3dmo s PHE 127 CO 0.38 -0.76 -0.08 0.71 -1.46 0.00 0.00 175.22 174.00 3dmo s TYR 128 N 0.02 0.90 -0.23 10.12 2.02 -1.26 -5.02 117.35 123.90 3dmo s TYR 128 Ca 0.51 -0.71 0.01 0.00 -0.37 0.00 0.00 57.07 56.51 3dmo s TYR 128 Cb -0.30 -0.51 0.04 0.00 -0.40 0.00 0.00 41.96 40.79 3dmo s TYR 128 CO 0.34 -0.07 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.61 3dmo s LEU 129 N -2.43 2.93 0.00 -1.29 1.43 -1.26 -5.30 118.68 112.76 3dmo s LEU 129 Ca 0.04 -0.99 0.22 0.00 -1.03 0.00 0.00 54.13 52.36 3dmo s LEU 129 Cb -0.02 -1.56 1.29 0.00 0.03 0.00 0.00 46.19 45.93 3dmo s LEU 129 CO -0.02 -0.11 1.67 0.00 0.23 0.00 0.00 176.35 178.12