#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dmo s THR 2 N 0.00 4.31 0.26 1.12 -4.23 -1.26 -4.95 115.64 110.89 3dmo s THR 2 Ca 0.00 1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.48 3dmo s THR 2 Cb 0.00 -3.62 0.27 0.00 1.34 0.00 0.00 72.50 70.49 3dmo s THR 2 CO 0.00 -0.73 1.90 0.45 -0.54 0.00 0.00 174.62 175.70 3dmo h HIS 3 N 0.40 1.22 -0.36 3.99 -0.00 -2.05 -1.76 115.15 116.59 3dmo h HIS 3 Ca -0.46 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 59.99 3dmo h HIS 3 Cb 1.20 -0.41 -0.05 0.00 -0.00 0.00 0.00 27.41 28.16 3dmo h HIS 3 CO 0.62 0.69 0.09 1.25 -0.00 0.00 0.00 177.93 180.59 3dmo h HIS 4 N 1.25 0.16 -0.91 2.45 2.76 -1.99 -0.33 115.15 118.54 3dmo h HIS 4 Ca 0.41 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.58 3dmo h HIS 4 Cb 0.04 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 28.94 3dmo h HIS 4 CO -0.00 0.05 0.50 0.00 -1.30 0.00 0.00 177.93 177.17 3dmo h ALA 5 N 1.26 1.16 -0.44 5.26 0.00 -1.83 -0.67 119.26 124.00 3dmo h ALA 5 Ca 0.17 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3dmo h ALA 5 Cb 0.18 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3dmo h ALA 5 CO -0.20 0.67 0.01 1.25 0.00 0.00 0.00 179.25 180.97 3dmo h LEU 6 N 1.27 0.75 -0.75 0.00 6.46 -0.86 -1.14 115.31 121.04 3dmo h LEU 6 Ca 0.32 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 3dmo h LEU 6 Cb 0.02 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.72 3dmo h LEU 6 CO -0.05 0.87 0.42 0.40 -0.62 0.00 0.00 178.44 179.45 3dmo h ILE 7 N 0.61 1.22 -0.56 4.05 2.04 -0.82 -1.12 117.51 122.94 3dmo h ILE 7 Ca 0.13 -0.54 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 3dmo h ILE 7 Cb 0.47 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3dmo h ILE 7 CO 0.02 0.24 0.08 -0.33 0.00 0.00 0.00 178.15 178.16 3dmo h GLU 8 N 1.03 0.90 -0.81 2.37 4.39 -0.89 -0.80 114.58 120.77 3dmo h GLU 8 Ca 0.26 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 3dmo h GLU 8 Cb 0.02 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 3dmo h GLU 8 CO -0.04 0.84 0.40 0.00 -1.16 0.00 0.00 179.01 179.05 3dmo h ALA 9 N 1.23 1.18 -0.45 3.43 0.00 -0.87 -1.31 119.26 122.48 3dmo h ALA 9 Ca 0.17 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3dmo h ALA 9 Cb 0.39 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3dmo h ALA 9 CO 0.01 0.63 -0.11 0.00 0.00 0.00 0.00 179.25 179.78 3dmo h ALA 10 N 1.29 0.97 -0.53 0.00 0.00 -0.54 -0.13 119.26 120.32 3dmo h ALA 10 Ca 0.28 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3dmo h ALA 10 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3dmo h ALA 10 CO -0.04 0.61 0.11 0.87 0.00 0.00 0.00 179.25 180.80 3dmo h LYS 11 N 0.73 0.86 -0.64 0.00 1.57 -0.85 -1.02 116.57 117.21 3dmo h LYS 11 Ca 0.12 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3dmo h LYS 11 Cb 0.60 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 3dmo h LYS 11 CO 0.04 0.83 0.38 0.00 -0.57 0.00 0.00 179.45 180.13 3dmo h ALA 12 N 1.00 0.82 -0.68 3.86 0.00 -1.01 -2.86 119.26 120.38 3dmo h ALA 12 Ca 0.16 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3dmo h ALA 12 Cb 0.37 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3dmo h ALA 12 CO 0.01 0.30 0.44 0.00 0.00 0.00 0.00 179.25 179.99 3dmo h ALA 13 N 1.19 0.88 -0.78 0.00 0.00 -0.80 -2.89 119.26 116.86 3dmo h ALA 13 Ca 0.23 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.23 3dmo h ALA 13 Cb -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3dmo h ALA 13 CO -0.04 0.23 0.51 -0.09 0.00 0.00 0.00 179.25 179.86 3dmo h ARG 14 N 0.87 0.58 0.00 0.00 2.43 -0.96 -1.90 114.38 115.40 3dmo h ARG 14 Ca 0.26 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3dmo h ARG 14 Cb -0.04 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3dmo h ARG 14 CO -0.08 0.38 -0.03 0.93 -1.51 0.00 0.00 179.97 179.66 3dmo h GLU 15 N 0.60 0.00 -0.29 0.20 4.39 -1.43 -2.34 114.58 115.71 3dmo h GLU 15 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 3dmo h GLU 15 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3dmo h GLU 15 CO -0.14 0.03 0.00 1.63 -1.16 0.00 0.00 179.01 179.37 3dmo n LYS 16 N -3.43 2.09 -1.73 2.33 5.02 -0.71 -4.98 118.16 116.75 3dmo n LYS 16 Ca -0.02 -1.65 -0.38 0.00 -2.02 0.00 0.00 58.31 54.23 3dmo n LYS 16 Cb 0.14 -1.44 0.05 0.00 -0.02 0.00 0.00 35.03 33.76 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 0.87 1.36 -3.80 7.82 0.00 -0.88 -4.99 120.51 120.89 3dmo n ALA 17 Ca 0.17 0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.35 3dmo n ALA 17 Cb 0.45 -2.33 -0.12 0.00 0.00 0.00 0.00 19.45 17.46 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 -1.32 3.54 -0.37 0.00 5.04 -0.55 -4.98 117.35 118.71 3dmo s TYR 18 Ca 0.74 -2.59 0.13 0.00 -2.44 0.00 0.00 57.07 52.91 3dmo s TYR 18 Cb -0.41 -3.17 0.39 0.00 0.35 0.00 0.00 41.96 39.12 3dmo s TYR 18 CO 0.47 -0.93 0.84 0.00 -1.34 0.00 0.00 175.55 174.60 3dmo n ALA 19 N 4.21 2.86 0.53 3.97 0.00 -1.26 -0.42 120.51 130.41 3dmo n ALA 19 Ca 0.01 -3.45 0.11 0.00 0.00 0.00 0.00 53.44 50.12 3dmo n ALA 19 Cb 0.40 -0.90 0.45 0.00 0.00 0.00 0.00 19.45 19.40 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 0.08 0.14 -0.05 0.00 -0.04 -1.26 -0.55 135.00 133.32 3dmo n PRO 20 Ca 0.20 0.29 -0.22 0.00 -0.04 0.00 0.00 63.50 63.74 3dmo n PRO 20 Cb 0.70 -1.73 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 3dmo n PRO 20 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3dmo h TYR 21 N 0.00 0.23 0.00 0.54 -1.99 -1.96 -3.38 116.97 110.42 3dmo h TYR 21 Ca 0.00 -0.17 -0.01 0.00 2.00 0.00 0.00 58.73 60.55 3dmo h TYR 21 Cb 0.43 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.15 3dmo h TYR 21 CO 0.00 1.59 -0.98 0.66 -0.00 0.00 0.00 178.16 179.43 3dmo h SER 22 N -0.54 0.00 -3.09 3.88 4.64 -1.98 -3.48 113.55 112.98 3dmo h SER 22 Ca -0.36 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.63 3dmo h SER 22 Cb 1.61 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.67 3dmo h SER 22 CO -0.06 0.03 -0.41 0.59 -0.87 0.00 0.00 176.83 176.10 3dmo n ASN 23 N -2.71 -4.86 -3.90 4.97 3.02 0.28 -4.95 115.26 107.12 3dmo n ASN 23 Ca -0.00 0.13 -0.30 0.00 -0.03 0.00 0.00 54.58 54.38 3dmo n ASN 23 Cb 0.56 -4.12 -0.15 0.00 -0.61 0.00 0.00 39.78 35.46 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 -2.77 2.90 0.09 3.10 5.36 -1.25 -5.06 117.98 120.34 3dmo s PHE 24 Ca 0.00 -2.49 -0.27 0.00 -0.96 0.00 0.00 56.93 53.20 3dmo s PHE 24 Cb 0.00 -2.42 -0.06 0.00 -0.34 0.00 0.00 43.02 40.20 3dmo s PHE 24 CO 0.00 -0.91 0.86 0.15 -1.46 0.00 0.00 175.22 173.86 3dmo s LYS 25 N 1.15 4.61 -0.01 10.12 1.02 -1.26 -4.89 119.74 130.47 3dmo s LYS 25 Ca 0.11 1.26 0.06 0.00 0.02 0.00 0.00 55.97 57.42 3dmo s LYS 25 Cb -0.19 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 33.75 3dmo s LYS 25 CO -0.15 0.27 -0.19 0.08 -0.92 0.00 0.00 175.35 174.45 3dmo s VAL 26 N -0.12 1.48 0.13 3.17 1.01 -1.26 -4.42 120.40 120.38 3dmo s VAL 26 Ca 0.42 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.67 3dmo s VAL 26 Cb -0.22 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3dmo s VAL 26 CO 0.27 0.39 -0.24 -0.83 0.00 0.00 0.00 175.10 174.68 3dmo s GLY 27 N -0.51 1.48 0.04 4.51 0.00 -0.51 -2.62 107.32 109.71 3dmo s GLY 27 Ca 0.07 -1.42 0.01 0.00 0.00 0.00 0.00 44.72 43.38 3dmo s GLY 27 CO -0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 173.10 171.62 3dmo s ALA 28 N -1.20 0.49 -0.06 3.20 0.00 0.18 -0.86 121.76 123.51 3dmo s ALA 28 Ca 0.12 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 3dmo s ALA 28 Cb -0.10 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.15 3dmo s ALA 28 CO 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 175.76 175.72 3dmo s ALA 29 N -1.74 0.66 -0.17 0.00 0.00 -0.11 -0.94 121.76 119.46 3dmo s ALA 29 Ca -0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 3dmo s ALA 29 Cb -0.08 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 3dmo s ALA 29 CO -0.01 -0.39 -0.03 -1.17 0.00 0.00 0.00 175.76 174.16 3dmo s LEU 30 N 1.81 3.22 -0.14 0.00 2.96 0.08 -0.69 118.68 125.92 3dmo s LEU 30 Ca 0.02 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3dmo s LEU 30 Cb -0.13 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3dmo s LEU 30 CO -0.04 0.14 -0.10 0.54 -1.32 0.00 0.00 176.35 175.56 3dmo s VAL 31 N 0.56 3.34 0.73 1.68 0.11 -0.06 -0.18 120.40 126.58 3dmo s VAL 31 Ca -0.03 -0.56 -0.12 0.00 -2.93 0.00 0.00 61.98 58.35 3dmo s VAL 31 Cb -0.14 -2.42 0.03 0.00 -1.53 0.00 0.00 36.38 32.31 3dmo s VAL 31 CO 0.03 0.51 1.12 0.42 -3.33 0.00 0.00 175.10 173.85 3dmo s THR 32 N 0.36 3.10 0.53 5.04 -4.23 -0.06 -0.77 115.64 119.60 3dmo s THR 32 Ca -0.09 0.35 0.22 0.00 -1.18 0.00 0.00 61.69 61.00 3dmo s THR 32 Cb -0.15 -3.35 0.29 0.00 1.34 0.00 0.00 72.50 70.63 3dmo s THR 32 CO 0.05 -0.46 2.16 0.78 -0.54 0.00 0.00 174.62 176.61 3dmo h ASN 33 N -0.75 0.00 -0.40 3.99 2.35 -1.44 -1.01 115.58 118.32 3dmo h ASN 33 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3dmo h ASN 33 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 3dmo h ASN 33 CO 0.64 0.04 0.00 -0.90 -1.65 0.00 0.00 177.43 175.56 3dmo n ASP 34 N -4.16 2.65 0.00 5.81 5.68 -1.26 -4.96 116.55 120.31 3dmo n ASP 34 Ca -0.03 -1.92 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 3dmo n ASP 34 Cb 0.12 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 3dmo n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dmo n GLY 35 N 1.32 0.85 3.78 6.12 0.00 -0.38 -5.07 105.19 111.80 3dmo n GLY 35 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.71 4.60 -0.14 1.61 2.20 -1.26 -4.78 119.74 121.26 3dmo s LYS 36 Ca 0.00 1.23 -0.05 0.00 -0.36 0.00 0.00 55.97 56.79 3dmo s LYS 36 Cb 0.00 -3.15 -0.03 0.00 -1.51 0.00 0.00 37.83 33.14 3dmo s LYS 36 CO 0.00 0.49 0.02 0.08 -0.36 0.00 0.00 175.35 175.58 3dmo s VAL 37 N -1.28 4.46 -0.14 4.02 1.01 -1.26 -0.88 120.40 126.33 3dmo s VAL 37 Ca 0.40 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.24 3dmo s VAL 37 Cb -0.22 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3dmo s VAL 37 CO 0.27 0.52 -0.20 -0.36 0.00 0.00 0.00 175.10 175.32 3dmo s PHE 38 N -0.09 2.68 0.36 5.22 0.08 0.75 -4.96 117.98 122.03 3dmo s PHE 38 Ca 0.05 -1.20 -0.23 0.00 0.12 0.00 0.00 56.93 55.67 3dmo s PHE 38 Cb -0.12 -1.82 -0.10 0.00 -0.57 0.00 0.00 43.02 40.41 3dmo s PHE 38 CO 0.02 -0.53 0.92 -1.01 -0.10 0.00 0.00 175.22 174.52 3dmo s HIS 39 N 0.71 3.50 0.02 0.36 3.76 -1.26 -0.74 115.29 121.64 3dmo s HIS 39 Ca -0.09 1.65 0.00 0.00 -0.15 0.00 0.00 55.06 56.47 3dmo s HIS 39 Cb -0.16 -2.85 -0.02 0.00 1.11 0.00 0.00 32.58 30.67 3dmo s HIS 39 CO 0.01 0.07 -0.03 0.20 -0.85 0.00 0.00 174.74 174.14 3dmo s GLY 40 N -1.90 0.20 0.07 -2.22 0.00 -0.11 -4.20 107.32 99.15 3dmo s GLY 40 Ca 0.55 -0.46 -0.02 0.00 0.00 0.00 0.00 44.72 44.80 3dmo s GLY 40 CO 0.18 -0.51 -0.00 0.00 0.00 0.00 0.00 173.10 172.78 3dmo s ASN 42 N -2.94 6.69 -0.23 0.00 4.22 -1.08 -3.49 114.94 118.12 3dmo s ASN 42 Ca 0.09 2.16 -0.02 0.00 -2.14 0.00 0.00 52.86 52.96 3dmo s ASN 42 Cb 0.08 -2.60 0.07 0.00 1.28 0.00 0.00 41.25 40.08 3dmo s ASN 42 CO -0.08 -0.54 0.05 -0.69 -2.04 0.00 0.00 177.10 173.79 3dmo s VAL 43 N -1.53 0.63 0.62 3.54 1.01 0.01 -1.48 120.40 123.19 3dmo s VAL 43 Ca 0.57 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 3dmo s VAL 43 Cb -0.26 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 34.94 3dmo s VAL 43 CO 0.32 -0.33 0.91 -1.61 0.00 0.00 0.00 175.10 174.39 3dmo s GLU 44 N 1.79 2.54 0.01 2.72 2.02 0.44 -0.93 118.70 127.29 3dmo s GLU 44 Ca 0.02 -0.30 -0.05 0.00 0.02 0.00 0.00 54.97 54.65 3dmo s GLU 44 Cb -0.17 -2.29 -0.00 0.00 0.10 0.00 0.00 34.13 31.77 3dmo s GLU 44 CO -0.13 -0.91 0.09 1.21 0.02 0.00 0.00 175.26 175.55 3dmo s ASN 45 N -4.41 0.08 0.38 -0.19 3.84 -1.26 -4.87 114.94 108.51 3dmo s ASN 45 Ca 0.57 -0.28 0.13 0.00 0.21 0.00 0.00 52.86 53.48 3dmo s ASN 45 Cb -0.11 0.18 0.93 0.00 -0.55 0.00 0.00 41.25 41.71 3dmo s ASN 45 CO 0.43 -0.35 1.86 0.00 -2.79 0.00 0.00 177.10 176.25 3dmo h ALA 46 N 4.37 1.98 -1.62 1.71 0.00 -1.99 -3.23 119.26 120.48 3dmo h ALA 46 Ca -0.31 0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.03 3dmo h ALA 46 Cb 1.20 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.80 3dmo h ALA 46 CO 0.41 -0.25 0.75 0.45 0.00 0.00 0.00 179.25 180.61 3dmo s SER 47 N -5.73 6.27 0.36 0.00 0.15 -1.26 -4.94 113.70 108.56 3dmo s SER 47 Ca -0.09 -0.47 0.07 0.00 0.70 0.00 0.00 55.95 56.16 3dmo s SER 47 Cb 0.22 -2.48 0.77 0.00 -1.71 0.00 0.00 66.02 62.83 3dmo s SER 47 CO 0.78 -1.47 1.93 1.88 1.20 0.00 0.00 173.24 177.56 3dmo h TYR 48 N 9.59 0.77 0.00 3.44 0.99 -2.00 -0.59 116.97 129.17 3dmo h TYR 48 Ca -0.27 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.48 3dmo h TYR 48 Cb 1.06 -0.25 0.00 0.00 1.00 0.00 0.00 36.73 38.54 3dmo h TYR 48 CO 1.00 0.37 0.00 0.41 -0.00 0.00 0.00 178.16 179.94 3dmo n GLY 49 N -1.45 -0.97 0.70 3.88 0.00 -1.26 -1.10 105.19 104.98 3dmo n GLY 49 Ca 0.13 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.14 2.16 -4.77 0.99 4.77 -0.23 -4.94 117.00 112.85 3dmo n LEU 50 Ca 0.00 -0.74 -0.41 0.00 -0.03 0.00 0.00 56.01 54.83 3dmo n LEU 50 Cb 0.10 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3dmo n LEU 50 CO 0.12 0.37 1.11 0.00 -1.33 0.00 0.00 177.39 177.67 3dmo s ASN 52 N -0.19 4.00 0.48 0.00 2.47 -0.11 -4.99 114.94 116.60 3dmo s ASN 52 Ca 0.54 -0.22 -0.14 0.00 0.42 0.00 0.00 52.86 53.47 3dmo s ASN 52 Cb -0.48 -0.93 -0.07 0.00 -1.45 0.00 0.00 41.25 38.32 3dmo s ASN 52 CO 0.63 0.32 0.91 0.00 -3.72 0.00 0.00 177.10 175.24 3dmo h ALA 54 N 0.95 0.67 -0.51 0.00 0.00 -1.84 -0.14 119.26 118.39 3dmo h ALA 54 Ca -0.47 0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.65 3dmo h ALA 54 Cb 1.19 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 3dmo h ALA 54 CO 0.62 -0.38 0.29 0.93 0.00 0.00 0.00 179.25 180.72 3dmo h GLU 55 N 0.16 0.55 -0.32 0.00 3.07 -1.89 -1.31 114.58 114.84 3dmo h GLU 55 Ca 0.34 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 58.98 3dmo h GLU 55 Cb 0.55 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3dmo h GLU 55 CO -0.51 0.37 -0.49 0.00 -1.40 0.00 0.00 179.01 176.97 3dmo h ARG 56 N 0.57 0.90 -0.65 2.33 3.08 -1.83 -2.21 114.38 116.57 3dmo h ARG 56 Ca 0.21 -0.54 0.05 0.00 0.07 0.00 0.00 59.98 59.77 3dmo h ARG 56 Cb 0.06 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 3dmo h ARG 56 CO -0.11 1.18 0.37 1.15 -1.07 0.00 0.00 179.97 181.49 3dmo h THR 57 N 0.71 0.99 -0.21 2.04 2.02 -0.70 0.14 112.91 117.90 3dmo h THR 57 Ca 0.03 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 3dmo h THR 57 Cb 1.10 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3dmo h THR 57 CO 0.11 0.13 0.02 0.00 0.37 0.00 0.00 175.52 176.16 3dmo h ALA 58 N 1.33 0.29 -0.41 6.16 0.00 -1.12 -2.06 119.26 123.44 3dmo h ALA 58 Ca 0.28 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3dmo h ALA 58 Cb 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3dmo h ALA 58 CO -0.16 -0.03 0.12 -0.07 0.00 0.00 0.00 179.25 179.11 3dmo h LEU 59 N 0.15 0.61 -0.94 0.00 3.38 -1.11 -1.82 115.31 115.57 3dmo h LEU 59 Ca 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3dmo h LEU 59 Cb 0.34 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3dmo h LEU 59 CO 0.01 0.66 0.56 -0.26 0.09 0.00 0.00 178.44 179.50 3dmo h PHE 60 N 0.52 1.25 -0.58 1.13 0.05 -0.73 -1.30 116.94 117.29 3dmo h PHE 60 Ca 0.13 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.90 3dmo h PHE 60 Cb 0.28 -0.41 -0.03 0.00 2.00 0.00 0.00 35.95 37.80 3dmo h PHE 60 CO 0.01 0.84 0.31 1.03 -0.18 0.00 0.00 178.31 180.33 3dmo h SER 61 N 1.31 0.72 -0.62 2.17 0.87 -1.20 -0.94 113.55 115.86 3dmo h SER 61 Ca 0.34 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.73 3dmo h SER 61 Cb -0.04 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 3dmo h SER 61 CO -0.06 0.61 0.10 0.00 -0.53 0.00 0.00 176.83 176.95 3dmo h ALA 62 N 1.14 0.83 -0.49 6.23 0.00 -0.95 -1.71 119.26 124.32 3dmo h ALA 62 Ca 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3dmo h ALA 62 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3dmo h ALA 62 CO -0.03 0.59 0.28 -0.07 0.00 0.00 0.00 179.25 180.01 3dmo h LEU 63 N 0.94 0.60 -2.02 0.00 -0.00 -1.10 -1.98 115.31 111.74 3dmo h LEU 63 Ca 0.19 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 57.97 3dmo h LEU 63 Cb 0.43 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.94 3dmo h LEU 63 CO 0.01 0.50 -0.10 0.00 -0.00 0.00 0.00 178.44 178.86 3dmo h ALA 64 N 1.12 1.40 0.00 1.53 0.00 -0.90 -0.11 119.26 122.31 3dmo h ALA 64 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dmo h ALA 64 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dmo h ALA 64 CO -0.03 0.12 -0.06 0.00 0.00 0.00 0.00 179.25 179.28 3dmo n ALA 65 N -2.32 2.44 0.00 0.00 0.00 -0.67 -4.92 120.51 115.04 3dmo n ALA 65 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3dmo n ALA 65 Cb 0.20 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 1.45 0.86 3.77 0.00 0.00 -0.06 -5.09 105.19 106.13 3dmo n GLY 66 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 3.01 0.27 1.61 2.02 -0.78 -5.00 117.35 116.48 3dmo s TYR 67 Ca 0.00 1.57 0.08 0.00 -0.37 0.00 0.00 57.07 58.34 3dmo s TYR 67 Cb 0.00 -3.32 -0.04 0.00 -0.40 0.00 0.00 41.96 38.20 3dmo s TYR 67 CO 0.00 -1.25 0.14 1.03 -1.57 0.00 0.00 175.55 173.90 3dmo s ARG 68 N -2.57 2.66 0.31 -0.62 1.81 -1.26 -4.19 118.95 115.08 3dmo s ARG 68 Ca 0.61 -1.24 -0.28 0.00 -1.72 0.00 0.00 55.73 53.10 3dmo s ARG 68 Cb -0.27 -2.39 -0.13 0.00 -0.45 0.00 0.00 34.95 31.70 3dmo s ARG 68 CO 0.34 0.33 1.18 -2.30 -0.68 0.00 0.00 175.30 174.16 3dmo n PRO 69 N -1.11 1.78 -0.39 3.54 -0.02 -1.26 -2.28 135.00 135.26 3dmo n PRO 69 Ca -0.06 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3dmo n PRO 69 Cb 0.59 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.07 1.06 1.56 -1.23 0.00 -0.40 -4.92 105.19 102.33 3dmo n GLY 70 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 3.95 -4.42 1.61 1.02 -0.97 -4.93 120.64 114.89 3dmo n GLU 71 Ca 0.00 -2.48 -0.30 0.00 -0.02 0.00 0.00 57.16 54.37 3dmo n GLU 71 Cb 0.00 -2.05 -0.12 0.00 -0.02 0.00 0.00 31.44 29.25 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 -2.29 2.55 -0.25 -0.32 0.40 -1.26 -1.25 117.98 115.56 3dmo s PHE 72 Ca 0.43 -0.25 -0.14 0.00 -0.60 0.00 0.00 56.93 56.37 3dmo s PHE 72 Cb 0.32 -1.39 -0.15 0.00 0.51 0.00 0.00 43.02 42.31 3dmo s PHE 72 CO 0.14 0.34 -0.18 0.00 0.70 0.00 0.00 175.22 176.23 3dmo n ALA 73 N 1.06 1.11 -3.46 5.36 0.00 0.05 -4.66 120.51 119.97 3dmo n ALA 73 Ca -0.16 -0.94 -0.14 0.00 0.00 0.00 0.00 53.44 52.21 3dmo n ALA 73 Cb 0.52 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 3dmo n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dmo s ALA 74 N -2.48 -1.67 -0.04 0.00 0.00 -1.10 -3.11 121.76 113.36 3dmo s ALA 74 Ca -0.35 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.42 3dmo s ALA 74 Cb 0.12 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.81 3dmo s ALA 74 CO 0.54 -0.64 -0.09 -1.50 0.00 0.00 0.00 175.76 174.07 3dmo s ILE 75 N -2.89 0.87 -0.04 0.00 2.07 -0.12 -0.88 121.20 120.21 3dmo s ILE 75 Ca -0.02 -0.36 -0.01 0.00 -1.41 0.00 0.00 60.65 58.84 3dmo s ILE 75 Cb -0.01 -0.80 -0.04 0.00 0.13 0.00 0.00 42.46 41.74 3dmo s ILE 75 CO -0.06 0.28 0.07 0.00 -1.91 0.00 0.00 174.94 173.32 3dmo s ALA 76 N 0.50 3.54 -0.01 1.50 0.00 0.13 -0.03 121.76 127.38 3dmo s ALA 76 Ca -0.09 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.06 3dmo s ALA 76 Cb -0.12 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.40 3dmo s ALA 76 CO 0.02 0.66 -0.06 0.08 0.00 0.00 0.00 175.76 176.45 3dmo s VAL 77 N -1.09 0.55 -0.07 0.00 1.01 -0.14 -0.93 120.40 119.72 3dmo s VAL 77 Ca 0.19 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 3dmo s VAL 77 Cb -0.12 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.80 3dmo s VAL 77 CO 0.10 0.17 0.19 0.54 0.00 0.00 0.00 175.10 176.10 3dmo s VAL 78 N 0.09 -0.01 0.34 2.92 0.11 -0.04 -1.35 120.40 122.46 3dmo s VAL 78 Ca -0.01 0.05 -0.09 0.00 -2.93 0.00 0.00 61.98 59.00 3dmo s VAL 78 Cb -0.06 -0.28 0.02 0.00 -1.53 0.00 0.00 36.38 34.54 3dmo s VAL 78 CO -0.00 0.02 0.58 -0.83 -3.33 0.00 0.00 175.10 171.54 3dmo s GLY 79 N 0.42 0.92 -1.40 6.54 0.00 -1.24 -1.42 107.32 111.14 3dmo s GLY 79 Ca -0.03 -1.13 -0.10 0.00 0.00 0.00 0.00 44.72 43.47 3dmo s GLY 79 CO -0.02 -0.69 2.27 -2.21 0.00 0.00 0.00 173.10 172.45 3dmo n GLU 80 N -0.52 3.66 -3.91 2.90 4.07 -1.26 -2.86 120.64 122.73 3dmo n GLU 80 Ca -0.03 -3.05 -0.21 0.00 -0.06 0.00 0.00 57.16 53.81 3dmo n GLU 80 Cb 0.61 -2.93 -0.04 0.00 -0.06 0.00 0.00 31.44 29.03 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 1.05 3.96 0.05 6.31 -4.23 -1.26 -4.99 115.64 116.53 3dmo s THR 81 Ca 0.50 -1.35 -0.26 0.00 -1.18 0.00 0.00 61.69 59.40 3dmo s THR 81 Cb 0.14 -3.30 -0.17 0.00 1.34 0.00 0.00 72.50 70.51 3dmo s THR 81 CO -0.05 -0.24 1.55 -0.74 -0.54 0.00 0.00 174.62 174.59 3dmo h HIS 82 N 1.31 -0.27 -3.81 3.99 2.76 -1.99 -3.43 115.15 113.71 3dmo h HIS 82 Ca -0.46 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 3dmo h HIS 82 Cb 1.25 0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.30 3dmo h HIS 82 CO 0.53 -0.07 0.00 0.41 -1.30 0.00 0.00 177.93 177.50 3dmo n GLY 83 N -0.85 2.60 3.69 5.26 0.00 -1.26 -5.00 105.19 109.64 3dmo n GLY 83 Ca -0.09 -2.13 -0.44 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.63 2.19 -1.72 1.61 -0.02 -1.26 -4.52 135.00 130.64 3dmo n PRO 84 Ca 0.00 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 3dmo n PRO 84 Cb 0.00 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 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 1.60 2.16 -3.65 4.25 3.06 -0.83 -4.82 119.36 121.13 3dmo n ILE 85 Ca 0.09 -0.50 -0.38 0.00 -2.50 0.00 0.00 62.75 59.47 3dmo n ILE 85 Cb 0.33 -1.69 -0.12 0.00 0.54 0.00 0.00 39.64 38.71 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 -1.13 3.36 0.41 1.51 0.00 -1.26 -4.60 121.76 120.05 3dmo s ALA 86 Ca 0.56 -1.17 -0.26 0.00 0.00 0.00 0.00 51.96 51.09 3dmo s ALA 86 Cb -0.52 -2.34 -0.09 0.00 0.00 0.00 0.00 23.12 20.17 3dmo s ALA 86 CO 0.62 -0.62 1.29 -2.14 0.00 0.00 0.00 175.76 174.91 3dmo s PRO 87 N 1.68 3.97 0.82 0.00 0.02 -1.26 -5.00 135.00 135.23 3dmo s PRO 87 Ca 0.06 2.12 -0.11 0.00 0.02 0.00 0.00 61.00 63.09 3dmo s PRO 87 Cb -0.16 -2.74 0.08 0.00 0.02 0.00 0.00 34.50 31.70 3dmo s PRO 87 CO 0.08 -0.48 1.09 0.00 -0.33 0.00 0.00 177.00 177.36 3dmo h GLY 89 N -1.18 0.81 0.88 0.00 0.00 -1.98 -1.92 103.07 99.67 3dmo h GLY 89 Ca -0.47 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 3dmo h GLY 89 CO 0.58 0.17 0.07 0.00 0.00 0.00 0.00 176.54 177.35 3dmo h ALA 90 N 1.65 0.31 -0.86 3.60 0.00 -2.00 -1.55 119.26 120.41 3dmo h ALA 90 Ca 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3dmo h ALA 90 Cb 0.39 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3dmo h ALA 90 CO -0.10 -0.05 0.44 0.00 0.00 0.00 0.00 179.25 179.54 3dmo h ARG 92 N 1.21 1.13 -0.81 0.00 3.08 -1.12 0.29 114.38 118.16 3dmo h ARG 92 Ca 0.30 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 3dmo h ARG 92 Cb 0.07 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.84 3dmo h ARG 92 CO -0.04 0.77 0.33 0.37 -1.07 0.00 0.00 179.97 180.33 3dmo h GLN 93 N 1.15 1.20 -0.12 0.04 5.75 -0.98 -1.53 115.11 120.61 3dmo h GLN 93 Ca 0.30 -0.22 -0.14 0.00 -0.15 0.00 0.00 58.65 58.44 3dmo h GLN 93 Cb -0.08 -0.20 0.01 0.00 1.07 0.00 0.00 27.48 28.28 3dmo h GLN 93 CO -0.06 0.97 -0.49 0.28 -2.65 0.00 0.00 178.83 176.88 3dmo h VAL 94 N 1.17 1.36 -0.97 2.39 2.07 -0.96 -3.08 116.25 118.22 3dmo h VAL 94 Ca 0.27 -1.78 0.04 0.00 0.82 0.00 0.00 66.70 66.05 3dmo h VAL 94 Cb 0.21 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 3dmo h VAL 94 CO -0.02 0.54 0.63 0.24 0.02 0.00 0.00 177.57 178.98 3dmo h MET 95 N 0.17 1.16 -0.30 1.57 2.86 -0.32 -0.37 114.93 119.70 3dmo h MET 95 Ca -0.03 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.41 3dmo h MET 95 Cb 1.12 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 3dmo h MET 95 CO 0.10 0.77 -0.35 0.97 1.06 0.00 0.00 176.91 179.46 3dmo h ILE 96 N 1.20 1.29 -0.03 -1.22 2.10 -1.32 0.46 117.51 119.99 3dmo h ILE 96 Ca 0.40 -1.50 -0.08 0.00 1.08 0.00 0.00 64.86 64.76 3dmo h ILE 96 Cb 0.05 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 37.22 3dmo h ILE 96 CO -0.14 0.49 -0.28 -0.08 -1.08 0.00 0.00 178.15 177.06 3dmo h GLU 97 N 0.57 0.24 0.03 2.19 4.81 -1.40 -1.85 114.58 119.16 3dmo h GLU 97 Ca 0.06 -0.22 -0.25 0.00 -0.13 0.00 0.00 59.36 58.82 3dmo h GLU 97 Cb 0.87 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 3dmo h GLU 97 CO 0.08 0.90 -1.27 -0.07 -0.73 0.00 0.00 179.01 177.92 3dmo h LEU 98 N -0.35 0.10 0.00 1.64 3.38 -1.09 -3.36 115.31 115.62 3dmo h LEU 98 Ca -0.03 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3dmo h LEU 98 Cb 0.98 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3dmo h LEU 98 CO 0.06 1.10 -1.44 0.61 0.09 0.00 0.00 178.44 178.85 3dmo n GLY 99 N 1.46 -1.21 0.59 0.83 0.00 0.16 -1.27 105.19 105.74 3dmo n GLY 99 Ca -0.07 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.37 -1.42 -0.03 1.61 4.76 -0.69 -3.77 118.16 116.25 3dmo n LYS 100 Ca -0.01 1.14 0.23 0.00 -2.87 0.00 0.00 58.31 56.80 3dmo n LYS 100 Cb 0.54 -1.56 0.72 0.00 -1.84 0.00 0.00 35.03 32.89 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 -0.37 0.00 -0.00 1.97 0.11 -1.88 -1.78 132.00 130.05 3dmo h PRO 101 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3dmo h PRO 101 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3dmo h PRO 101 CO 0.02 0.00 -0.07 0.25 -0.21 0.00 0.00 178.00 177.99 3dmo n THR 102 N -4.16 0.00 -1.66 -1.15 -2.24 -1.26 -0.56 114.28 103.25 3dmo n THR 102 Ca 0.12 -0.01 -0.51 0.00 -2.27 0.00 0.00 64.05 61.38 3dmo n THR 102 Cb 0.72 -0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.31 2.62 -4.71 3.22 7.94 -0.67 -4.79 117.00 119.30 3dmo n LEU 103 Ca 0.11 1.07 -0.42 0.00 -1.11 0.00 0.00 56.01 55.66 3dmo n LEU 103 Cb 0.29 -1.29 -0.03 0.00 0.53 0.00 0.00 43.42 42.92 3dmo n LEU 103 CO 0.26 -0.48 0.75 -0.70 -1.11 0.00 0.00 177.39 176.11 3dmo s GLU 104 N 2.02 4.52 -0.20 1.96 2.12 -1.18 -1.16 118.70 126.79 3dmo s GLU 104 Ca 0.87 1.55 0.02 0.00 0.36 0.00 0.00 54.97 57.77 3dmo s GLU 104 Cb -0.84 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.17 3dmo s GLU 104 CO 0.49 -0.11 -0.17 0.08 -0.54 0.00 0.00 175.26 175.01 3dmo s VAL 105 N 0.94 2.07 -0.38 3.70 1.01 0.02 -0.95 120.40 126.81 3dmo s VAL 105 Ca 0.54 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 3dmo s VAL 105 Cb -0.24 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.20 3dmo s VAL 105 CO 0.29 0.36 0.21 -0.69 0.00 0.00 0.00 175.10 175.27 3dmo s VAL 106 N 1.24 4.50 -0.14 2.92 1.01 0.96 -0.59 120.40 130.30 3dmo s VAL 106 Ca 0.01 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 3dmo s VAL 106 Cb -0.15 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3dmo s VAL 106 CO -0.11 -0.26 0.05 -0.76 0.00 0.00 0.00 175.10 174.03 3dmo s LEU 107 N 1.53 3.83 0.32 3.92 1.43 0.36 -0.97 118.68 129.10 3dmo s LEU 107 Ca 0.02 0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.21 3dmo s LEU 107 Cb -0.20 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.10 3dmo s LEU 107 CO 0.06 0.28 0.51 0.28 0.23 0.00 0.00 176.35 177.70 3dmo s THR 108 N -0.25 0.00 0.00 5.49 -1.32 -0.46 -0.99 115.64 118.12 3dmo s THR 108 Ca 0.08 -1.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.08 3dmo s THR 108 Cb -0.12 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 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 -1.09 0.61 -0.45 8.08 0.23 -1.12 -1.96 115.26 119.56 3dmo n ASN 109 Ca -0.01 -0.90 0.10 0.00 -0.53 0.00 0.00 54.58 53.25 3dmo n ASN 109 Cb 0.62 0.00 0.42 0.00 -2.08 0.00 0.00 39.78 38.73 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 1.59 0.00 -3.83 2.81 -1.14 -3.74 117.12 112.81 3dmo n MET 110 Ca 0.00 -0.88 0.06 0.00 -1.81 0.00 0.00 57.70 55.06 3dmo n MET 110 Cb 0.00 -1.38 0.04 0.00 -0.71 0.00 0.00 33.22 31.17 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 0.11 0.87 -0.26 0.03 6.02 -1.26 -5.00 117.38 117.89 3dmo n GLN 111 Ca 0.16 -1.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.05 3dmo n GLN 111 Cb 0.28 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.34 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 0.71 0.75 3.70 1.08 0.00 -1.25 -5.06 105.19 105.12 3dmo n GLY 112 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.51 7.21 0.03 1.61 1.01 -1.26 -4.94 116.67 117.81 3dmo s ASP 113 Ca 0.00 1.69 0.05 0.00 0.71 0.00 0.00 52.55 55.01 3dmo s ASP 113 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 3dmo s ASP 113 CO 0.00 -0.44 -0.16 -0.69 0.21 0.00 0.00 175.17 174.09 3dmo s VAL 114 N 1.71 1.28 -0.02 -1.27 1.01 -1.26 -2.81 120.40 119.04 3dmo s VAL 114 Ca 0.52 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 3dmo s VAL 114 Cb -0.22 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.06 3dmo s VAL 114 CO 0.23 0.14 0.03 -0.60 0.00 0.00 0.00 175.10 174.90 3dmo s ARG 115 N -0.97 -0.02 -0.13 2.72 6.06 -0.16 -4.97 118.95 121.47 3dmo s ARG 115 Ca 0.04 0.17 -0.04 0.00 -2.50 0.00 0.00 55.73 53.40 3dmo s ARG 115 Cb -0.08 -0.20 -0.04 0.00 0.06 0.00 0.00 34.95 34.70 3dmo s ARG 115 CO 0.01 -0.14 0.03 0.08 -2.50 0.00 0.00 175.30 172.78 3dmo s VAL 116 N 0.90 4.50 0.00 7.11 1.01 -1.26 -0.49 120.40 132.17 3dmo s VAL 116 Ca -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3dmo s VAL 116 Cb -0.11 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.31 3dmo s VAL 116 CO -0.03 0.54 0.00 1.07 0.00 0.00 0.00 175.10 176.68 3dmo n THR 117 N 2.83 0.00 -4.35 3.92 5.66 0.25 -5.00 114.28 117.59 3dmo n THR 117 Ca -0.18 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.64 3dmo n THR 117 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 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 -0.58 2.25 0.31 1.09 1.04 -1.26 -0.80 113.70 115.75 3dmo s SER 118 Ca 0.00 -1.14 -0.00 0.00 0.48 0.00 0.00 55.95 55.29 3dmo s SER 118 Cb 0.00 -0.08 0.51 0.00 0.10 0.00 0.00 66.02 66.55 3dmo s SER 118 CO 0.00 -0.36 1.95 0.00 0.98 0.00 0.00 173.24 175.81 3dmo h ALA 119 N 2.48 1.48 -0.52 5.32 0.00 -1.00 -2.49 119.26 124.53 3dmo h ALA 119 Ca -0.38 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 3dmo h ALA 119 Cb 1.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3dmo h ALA 119 CO 0.65 0.44 -0.12 0.78 0.00 0.00 0.00 179.25 181.00 3dmo h GLY 120 N 1.05 1.08 1.56 0.00 0.00 -1.09 -2.98 103.07 102.68 3dmo h GLY 120 Ca 0.33 -0.89 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 3dmo h GLY 120 CO -0.10 0.81 -0.02 -0.55 0.00 0.00 0.00 176.54 176.69 3dmo h ASP 121 N 0.87 0.52 1.24 0.19 3.32 -1.73 -2.88 116.42 117.94 3dmo h ASP 121 Ca 0.13 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3dmo h ASP 121 Cb 0.69 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 3dmo h ASP 121 CO 0.05 0.61 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.97 3dmo h LEU 122 N 0.52 0.00 -6.43 1.55 3.38 -1.32 -3.38 115.31 109.63 3dmo h LEU 122 Ca 0.11 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.49 3dmo h LEU 122 Cb 0.37 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.73 3dmo h LEU 122 CO 0.01 0.14 -0.92 -0.11 0.09 0.00 0.00 178.44 177.65 3dmo n LEU 123 N -3.22 0.24 -4.77 1.67 7.94 -1.09 -5.06 117.00 112.71 3dmo n LEU 123 Ca 0.01 -4.57 -0.40 0.00 -1.11 0.00 0.00 56.01 49.94 3dmo n LEU 123 Cb 0.44 0.32 -0.01 0.00 0.53 0.00 0.00 43.42 44.71 3dmo n LEU 123 CO 0.32 1.87 1.02 -2.84 -1.11 0.00 0.00 177.39 176.65 3dmo s PRO 124 N -0.38 4.18 -1.12 1.96 0.02 -1.23 -3.46 135.00 134.96 3dmo s PRO 124 Ca 0.32 2.30 -0.22 0.00 0.02 0.00 0.00 61.00 63.42 3dmo s PRO 124 Cb 0.04 -2.95 0.01 0.00 0.02 0.00 0.00 34.50 31.62 3dmo s PRO 124 CO -0.18 -0.37 0.75 -0.25 -0.33 0.00 0.00 177.00 176.62 3dmo n ASP 125 N 0.52 -5.13 -4.81 2.53 8.00 -1.26 -4.91 116.55 111.49 3dmo n ASP 125 Ca 0.01 -1.05 -0.32 0.00 0.71 0.00 0.00 54.79 54.15 3dmo n ASP 125 Cb 0.42 -2.92 0.04 0.00 -0.02 0.00 0.00 41.12 38.63 3dmo n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dmo s ALA 126 N -3.42 2.66 -2.00 2.24 0.00 -1.22 -5.28 121.76 114.73 3dmo s ALA 126 Ca 0.43 0.24 0.23 0.00 0.00 0.00 0.00 51.96 52.86 3dmo s ALA 126 Cb -0.18 -3.21 1.37 0.00 0.00 0.00 0.00 23.12 21.11 3dmo s ALA 126 CO 0.89 -1.11 1.74 0.34 0.00 0.00 0.00 175.76 177.62