#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmo s SER 2 N 0.00 5.57 -1.49 1.61 0.15 -1.26 -5.00 113.70 113.28 2dmo s SER 2 Ca 0.00 -1.08 -0.11 0.00 0.70 0.00 0.00 55.95 55.46 2dmo s SER 2 Cb 0.00 -1.96 0.01 0.00 -1.71 0.00 0.00 66.02 62.36 2dmo s SER 2 CO 0.00 -0.37 2.51 -1.54 1.20 0.00 0.00 173.24 175.04 2dmo n SER 3 N 4.92 6.60 -3.41 5.45 3.41 -1.26 -4.59 113.62 124.74 2dmo n SER 3 Ca -0.12 -2.80 -0.18 0.00 -0.26 0.00 0.00 58.87 55.50 2dmo n SER 3 Cb 0.45 -1.56 0.04 0.00 -0.26 0.00 0.00 64.21 62.89 2dmo n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmo n GLY 4 N 3.41 -1.13 3.38 5.00 0.00 -1.26 -5.02 105.19 109.56 2dmo n GLY 4 Ca 0.63 0.52 -0.12 0.00 0.00 0.00 0.00 46.02 47.05 2dmo n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmo s SER 5 N -3.30 0.26 0.10 1.61 0.01 -1.26 -5.18 113.70 105.94 2dmo s SER 5 Ca 0.33 -1.26 -0.26 0.00 1.31 0.00 0.00 55.95 56.07 2dmo s SER 5 Cb -0.08 0.50 0.09 0.00 0.21 0.00 0.00 66.02 66.73 2dmo s SER 5 CO 0.80 -1.02 1.11 -0.94 0.41 0.00 0.00 173.24 173.60 2dmo s SER 6 N -3.13 -0.05 0.05 2.44 1.04 -1.26 -5.05 113.70 107.73 2dmo s SER 6 Ca 0.32 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.35 2dmo s SER 6 Cb 0.03 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 2dmo s SER 6 CO 0.13 -0.71 -0.06 -0.83 0.98 0.00 0.00 173.24 172.75 2dmo s GLY 7 N -3.25 0.50 -0.43 7.32 0.00 -1.26 -4.98 107.32 105.22 2dmo s GLY 7 Ca 0.19 -0.89 -0.28 0.00 0.00 0.00 0.00 44.72 43.74 2dmo s GLY 7 CO 0.02 -0.96 1.70 -0.54 0.00 0.00 0.00 173.10 173.32 2dmo s GLU 8 N -2.23 3.22 0.41 2.90 8.01 -0.91 -4.41 118.70 125.69 2dmo s GLU 8 Ca -0.05 1.06 -0.26 0.00 0.01 0.00 0.00 54.97 55.73 2dmo s GLU 8 Cb -0.05 -4.20 -0.09 0.00 -4.31 0.00 0.00 34.13 25.48 2dmo s GLU 8 CO -0.02 -2.01 1.31 0.00 0.01 0.00 0.00 175.26 174.56 2dmo s ALA 9 N 7.03 3.26 0.02 5.21 0.00 -1.26 -0.72 121.76 135.31 2dmo s ALA 9 Ca 0.71 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.94 2dmo s ALA 9 Cb -0.17 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 2dmo s ALA 9 CO 0.30 -0.85 -0.06 -1.01 0.00 0.00 0.00 175.76 174.14 2dmo s HIS 10 N -1.26 0.53 -0.10 0.00 3.76 -0.83 -2.34 115.29 115.06 2dmo s HIS 10 Ca 0.57 -0.35 -0.05 0.00 -0.15 0.00 0.00 55.06 55.09 2dmo s HIS 10 Cb -0.38 -0.33 -0.04 0.00 1.11 0.00 0.00 32.58 32.94 2dmo s HIS 10 CO 0.50 -0.06 0.08 0.50 -0.85 0.00 0.00 174.74 174.90 2dmo s ARG 11 N -1.02 3.23 0.25 1.40 3.52 0.14 -3.19 118.95 123.27 2dmo s ARG 11 Ca -0.06 -0.26 -0.19 0.00 -0.13 0.00 0.00 55.73 55.09 2dmo s ARG 11 Cb -0.07 -3.01 -0.08 0.00 -1.56 0.00 0.00 34.95 30.23 2dmo s ARG 11 CO 0.00 0.74 0.74 0.08 -0.81 0.00 0.00 175.30 176.05 2dmo s VAL 12 N -0.96 4.57 0.00 7.11 1.01 -1.25 -1.70 120.40 129.19 2dmo s VAL 12 Ca 0.14 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.36 2dmo s VAL 12 Cb -0.12 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2dmo s VAL 12 CO 0.03 0.12 0.00 0.18 0.00 0.00 0.00 175.10 175.43 2dmo n LEU 13 N 0.48 0.00 -4.17 3.92 4.77 -1.26 -3.83 117.00 116.91 2dmo n LEU 13 Ca -0.01 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.69 2dmo n LEU 13 Cb 0.51 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.87 2dmo n LEU 13 CO 0.43 -0.49 0.31 0.49 -1.33 0.00 0.00 177.39 176.80 2dmo n PHE 14 N -2.46 -3.54 -1.51 -1.77 3.72 -1.26 -4.91 117.46 105.72 2dmo n PHE 14 Ca 0.00 -0.66 -0.33 0.00 -0.05 0.00 0.00 57.45 56.41 2dmo n PHE 14 Cb 0.00 -1.35 0.07 0.00 -0.94 0.00 0.00 39.48 37.26 2dmo n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dmo n GLY 15 N 2.01 5.97 3.64 1.37 0.00 -1.26 -4.94 105.19 111.98 2dmo n GLY 15 Ca 0.12 -2.40 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 2dmo n GLY 15 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dmo s PHE 16 N -3.79 2.93 -0.74 1.61 5.36 -1.26 -4.98 117.98 117.11 2dmo s PHE 16 Ca 0.61 1.04 -0.05 0.00 -0.96 0.00 0.00 56.93 57.58 2dmo s PHE 16 Cb 0.49 -3.77 0.19 0.00 -0.34 0.00 0.00 43.02 39.59 2dmo s PHE 16 CO -0.02 -1.23 0.60 0.54 -1.46 0.00 0.00 175.22 173.65 2dmo s VAL 17 N 3.93 4.32 -1.05 3.12 0.11 -1.26 -4.78 120.40 124.80 2dmo s VAL 17 Ca 0.51 -3.08 -0.24 0.00 -2.93 0.00 0.00 61.98 56.24 2dmo s VAL 17 Cb -0.15 -3.74 -0.07 0.00 -1.53 0.00 0.00 36.38 30.90 2dmo s VAL 17 CO 0.18 -0.97 1.94 -2.16 -3.33 0.00 0.00 175.10 170.77 2dmo s PRO 18 N -0.34 2.53 -0.72 1.54 0.04 -1.26 -4.90 135.00 131.89 2dmo s PRO 18 Ca 0.20 -0.76 -0.13 0.00 0.04 0.00 0.00 61.00 60.35 2dmo s PRO 18 Cb -0.15 -5.16 0.19 0.00 0.04 0.00 0.00 34.50 29.41 2dmo s PRO 18 CO -0.06 -3.69 0.64 -2.00 0.04 0.00 0.00 177.00 171.92 2dmo s GLU 19 N 6.71 3.27 0.22 4.56 -6.30 -1.26 -0.67 118.70 125.23 2dmo s GLU 19 Ca 0.69 -2.26 -0.23 0.00 -2.50 0.00 0.00 54.97 50.68 2dmo s GLU 19 Cb -0.03 -4.28 0.05 0.00 0.00 0.00 0.00 34.13 29.86 2dmo s GLU 19 CO 0.07 -1.28 0.88 0.95 0.02 0.00 0.00 175.26 175.90 2dmo s THR 20 N 0.53 0.00 0.02 -1.70 -4.23 -1.13 -5.03 115.64 104.10 2dmo s THR 20 Ca 0.14 -0.79 -0.09 0.00 -1.18 0.00 0.00 61.69 59.76 2dmo s THR 20 Cb -0.17 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 2dmo s THR 20 CO -0.05 0.00 1.14 0.50 -0.54 0.00 0.00 174.62 175.67 2dmo h LYS 21 N 2.00 -0.21 0.00 3.99 3.64 -2.02 -3.35 116.57 120.62 2dmo h LYS 21 Ca -0.24 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2dmo h LYS 21 Cb 1.24 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2dmo h LYS 21 CO 0.27 -0.14 0.00 0.39 -2.27 0.00 0.00 179.45 177.70 2dmo n GLU 22 N -3.15 0.00 -1.68 1.90 4.71 -1.26 -4.64 120.64 116.52 2dmo n GLU 22 Ca -0.03 0.31 -0.48 0.00 -0.01 0.00 0.00 57.16 56.95 2dmo n GLU 22 Cb 0.11 -1.25 -0.05 0.00 -1.01 0.00 0.00 31.44 29.24 2dmo n GLU 22 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2dmo n GLU 23 N -1.43 2.16 -3.08 3.49 1.02 -1.26 -3.71 120.64 117.83 2dmo n GLU 23 Ca 0.00 0.79 -0.40 0.00 -0.02 0.00 0.00 57.16 57.53 2dmo n GLU 23 Cb 0.00 -2.62 -0.05 0.00 -0.02 0.00 0.00 31.44 28.74 2dmo n GLU 23 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dmo s LEU 24 N 3.65 4.25 0.64 -4.62 2.96 -1.25 -2.84 118.68 121.47 2dmo s LEU 24 Ca 0.91 1.05 -0.18 0.00 -0.22 0.00 0.00 54.13 55.69 2dmo s LEU 24 Cb -0.70 -3.00 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 2dmo s LEU 24 CO 0.50 -0.17 1.30 0.00 -1.32 0.00 0.00 176.35 176.65 2dmo n GLN 25 N 4.23 1.19 -3.96 1.98 0.00 0.16 -4.66 117.38 116.33 2dmo n GLN 25 Ca -0.01 0.46 -0.09 0.00 0.00 0.00 0.00 57.00 57.36 2dmo n GLN 25 Cb 0.51 -2.53 -0.10 0.00 0.00 0.00 0.00 30.24 28.12 2dmo n GLN 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2dmo s VAL 26 N -1.37 0.14 0.23 -0.39 -7.23 -1.26 -4.97 120.40 105.55 2dmo s VAL 26 Ca 0.81 -1.16 0.04 0.00 -1.81 0.00 0.00 61.98 59.86 2dmo s VAL 26 Cb -0.39 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.64 2dmo s VAL 26 CO 0.41 -0.64 0.37 -0.04 -0.31 0.00 0.00 175.10 174.89 2dmo s MET 27 N -2.60 3.45 0.08 4.82 -1.94 -1.26 -4.82 119.30 117.03 2dmo s MET 27 Ca -0.05 -0.66 -0.31 0.00 -1.71 0.00 0.00 55.69 52.96 2dmo s MET 27 Cb -0.01 -2.88 -0.07 0.00 2.01 0.00 0.00 34.83 33.88 2dmo s MET 27 CO -0.05 0.42 1.38 -1.25 -0.01 0.00 0.00 175.02 175.51 2dmo s PRO 28 N -3.84 4.32 -0.40 2.03 0.04 -1.26 -2.83 135.00 133.05 2dmo s PRO 28 Ca 0.35 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2dmo s PRO 28 Cb -0.10 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2dmo s PRO 28 CO 0.30 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.29 2dmo n GLY 29 N 3.52 0.45 3.96 0.56 0.00 -1.25 -5.02 105.19 107.40 2dmo n GLY 29 Ca 0.12 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 2dmo n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dmo s ASN 30 N -2.88 5.73 -0.29 1.61 0.02 -1.13 -4.89 114.94 113.10 2dmo s ASN 30 Ca 0.00 0.20 0.03 0.00 -1.02 0.00 0.00 52.86 52.07 2dmo s ASN 30 Cb 0.00 -1.38 0.07 0.00 0.02 0.00 0.00 41.25 39.96 2dmo s ASN 30 CO 0.00 -0.78 -0.04 -0.63 0.02 0.00 0.00 177.10 175.67 2dmo s ILE 31 N -2.58 2.31 -0.09 0.60 -1.09 -1.26 -3.78 121.20 115.31 2dmo s ILE 31 Ca 0.50 -1.83 0.03 0.00 -2.23 0.00 0.00 60.65 57.11 2dmo s ILE 31 Cb -0.10 -2.47 -0.02 0.00 -1.58 0.00 0.00 42.46 38.29 2dmo s ILE 31 CO 0.38 -0.22 -0.17 0.68 -1.23 0.00 0.00 174.94 174.37 2dmo s VAL 32 N 1.06 2.75 -0.05 2.92 -7.23 -1.19 -4.93 120.40 113.72 2dmo s VAL 32 Ca -0.02 -0.80 -0.30 0.00 -1.81 0.00 0.00 61.98 59.04 2dmo s VAL 32 Cb -0.20 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 2dmo s VAL 32 CO -0.05 0.56 1.12 -0.36 -0.31 0.00 0.00 175.10 176.05 2dmo s PHE 33 N -0.11 3.36 -0.01 2.82 0.40 -1.22 -1.96 117.98 121.25 2dmo s PHE 33 Ca -0.03 1.39 -0.22 0.00 -0.60 0.00 0.00 56.93 57.47 2dmo s PHE 33 Cb -0.14 -3.32 -0.05 0.00 0.51 0.00 0.00 43.02 40.02 2dmo s PHE 33 CO 0.04 -0.85 0.63 0.08 0.70 0.00 0.00 175.22 175.82 2dmo s VAL 34 N 1.92 4.91 -0.22 -0.44 1.01 0.10 -0.86 120.40 126.82 2dmo s VAL 34 Ca 0.53 1.33 -0.12 0.00 0.00 0.00 0.00 61.98 63.72 2dmo s VAL 34 Cb -0.23 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 2dmo s VAL 34 CO 0.22 0.38 -0.30 0.18 0.00 0.00 0.00 175.10 175.58 2dmo n LEU 35 N 2.91 1.65 -4.77 3.92 4.77 0.68 -2.15 117.00 124.02 2dmo n LEU 35 Ca -0.05 0.29 -0.25 0.00 -0.03 0.00 0.00 56.01 55.97 2dmo n LEU 35 Cb 0.51 -0.68 -0.06 0.00 -2.33 0.00 0.00 43.42 40.85 2dmo n LEU 35 CO 0.45 0.39 -0.13 -0.75 -1.33 0.00 0.00 177.39 176.02 2dmo s LYS 36 N -2.46 2.26 -0.10 3.23 2.20 -1.24 -4.94 119.74 118.69 2dmo s LYS 36 Ca -0.32 -1.84 -0.11 0.00 -0.36 0.00 0.00 55.97 53.35 2dmo s LYS 36 Cb 0.11 -2.02 0.03 0.00 -1.51 0.00 0.00 37.83 34.44 2dmo s LYS 36 CO 0.40 -0.17 0.29 0.15 -0.36 0.00 0.00 175.35 175.67 2dmo s LYS 37 N -3.95 0.38 0.70 4.03 1.02 -1.26 -3.31 119.74 117.34 2dmo s LYS 37 Ca 0.40 0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.72 2dmo s LYS 37 Cb 0.03 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 2dmo s LYS 37 CO 0.23 -0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 2dmo n GLY 38 N 2.72 0.97 3.12 -3.33 0.00 -1.26 -4.95 105.19 102.46 2dmo n GLY 38 Ca -0.14 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.22 2dmo n GLY 38 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dmo n ASN 39 N 0.71 -2.68 -2.99 1.61 2.85 -1.26 -0.12 115.26 113.37 2dmo n ASN 39 Ca 0.00 -0.52 -0.13 0.00 -0.11 0.00 0.00 54.58 53.82 2dmo n ASN 39 Cb 0.00 -4.44 0.06 0.00 1.24 0.00 0.00 39.78 36.64 2dmo n ASN 39 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2dmo n ASP 40 N -2.74 -4.67 -3.45 1.20 2.03 -1.26 -3.59 116.55 104.07 2dmo n ASP 40 Ca -0.20 -0.57 -0.20 0.00 0.52 0.00 0.00 54.79 54.33 2dmo n ASP 40 Cb 0.63 -4.44 0.06 0.00 -0.72 0.00 0.00 41.12 36.65 2dmo n ASP 40 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2dmo n ASN 41 N -2.90 -4.70 -3.37 1.67 4.13 -1.22 -5.00 115.26 103.87 2dmo n ASN 41 Ca -0.12 -0.79 -0.18 0.00 1.68 0.00 0.00 54.58 55.18 2dmo n ASN 41 Cb 0.61 -4.59 -0.08 0.00 -1.54 0.00 0.00 39.78 34.19 2dmo n ASN 41 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2dmo s TRP 42 N -3.45 -0.23 -0.15 3.10 0.52 0.83 -4.02 118.94 115.54 2dmo s TRP 42 Ca 0.31 -0.89 -0.09 0.00 0.02 0.00 0.00 56.10 55.45 2dmo s TRP 42 Cb -0.07 -0.44 -0.05 0.00 -1.15 0.00 0.00 33.47 31.77 2dmo s TRP 42 CO 0.78 -0.96 0.16 0.00 0.02 0.00 0.00 176.95 176.95 2dmo s ALA 43 N 1.38 3.76 0.18 0.98 0.00 0.72 -4.25 121.76 124.54 2dmo s ALA 43 Ca 0.17 -0.63 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 2dmo s ALA 43 Cb -0.16 -2.12 -0.08 0.00 0.00 0.00 0.00 23.12 20.77 2dmo s ALA 43 CO -0.02 0.36 1.09 0.99 0.00 0.00 0.00 175.76 178.18 2dmo s THR 44 N -0.27 3.88 0.19 0.00 2.01 -1.21 -1.42 115.64 118.82 2dmo s THR 44 Ca 0.12 1.63 0.07 0.00 0.31 0.00 0.00 61.69 63.82 2dmo s THR 44 Cb -0.12 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 2dmo s THR 44 CO 0.02 0.28 -0.14 0.68 -0.69 0.00 0.00 174.62 174.77 2dmo s VAL 45 N -0.26 1.61 -0.08 3.82 -7.23 0.24 -0.23 120.40 118.28 2dmo s VAL 45 Ca 0.49 -2.15 0.05 0.00 -1.81 0.00 0.00 61.98 58.56 2dmo s VAL 45 Cb -0.29 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.67 2dmo s VAL 45 CO 0.35 -0.60 -0.24 -0.04 -0.31 0.00 0.00 175.10 174.26 2dmo s MET 46 N -3.58 2.79 -0.20 4.82 -1.94 -0.04 -2.57 119.30 118.58 2dmo s MET 46 Ca 0.20 -0.88 -0.04 0.00 -1.71 0.00 0.00 55.69 53.26 2dmo s MET 46 Cb -0.01 -2.25 0.08 0.00 2.01 0.00 0.00 34.83 34.67 2dmo s MET 46 CO 0.05 0.30 0.15 0.12 -0.01 0.00 0.00 175.02 175.64 2dmo s PHE 47 N 0.04 0.01 -1.38 -0.03 5.36 -1.23 -3.44 117.98 117.31 2dmo s PHE 47 Ca -0.10 -0.19 -0.09 0.00 -0.96 0.00 0.00 56.93 55.59 2dmo s PHE 47 Cb -0.15 -0.59 0.02 0.00 -0.34 0.00 0.00 43.02 41.96 2dmo s PHE 47 CO 0.06 -0.61 1.12 0.09 -1.46 0.00 0.00 175.22 174.41 2dmo n ASN 48 N 5.29 -5.54 -1.40 6.13 3.02 -1.26 -2.43 115.26 119.07 2dmo n ASN 48 Ca -0.06 -0.61 -0.07 0.00 -0.03 0.00 0.00 54.58 53.81 2dmo n ASN 48 Cb 0.48 -4.78 0.02 0.00 -0.61 0.00 0.00 39.78 34.90 2dmo n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dmo n GLY 49 N -1.86 0.52 3.58 7.41 0.00 -1.26 -5.06 105.19 108.52 2dmo n GLY 49 Ca -0.02 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 2dmo n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dmo s GLN 50 N -5.37 1.93 -0.03 1.61 -1.52 -1.02 -5.16 119.66 110.11 2dmo s GLN 50 Ca 0.17 -2.16 -0.01 0.00 -1.95 0.00 0.00 55.36 51.41 2dmo s GLN 50 Cb -0.07 -1.06 0.02 0.00 -0.22 0.00 0.00 33.01 31.68 2dmo s GLN 50 CO 0.21 -0.31 0.06 0.21 -0.25 0.00 0.00 175.29 175.21 2dmo s LYS 51 N -3.80 0.02 -0.00 2.91 2.20 -1.26 -3.48 119.74 116.33 2dmo s LYS 51 Ca 0.24 0.18 -0.28 0.00 -0.36 0.00 0.00 55.97 55.75 2dmo s LYS 51 Cb 0.05 -0.13 0.10 0.00 -1.51 0.00 0.00 37.83 36.33 2dmo s LYS 51 CO 0.12 -0.11 0.82 0.20 -0.36 0.00 0.00 175.35 176.03 2dmo s GLY 52 N 0.71 -0.48 0.22 5.54 0.00 -1.06 -4.63 107.32 107.62 2dmo s GLY 52 Ca -0.06 1.11 -0.06 0.00 0.00 0.00 0.00 44.72 45.71 2dmo s GLY 52 CO -0.03 0.49 0.48 1.08 0.00 0.00 0.00 173.10 175.12 2dmo s LEU 53 N -2.16 4.17 0.07 0.66 1.43 -1.24 -0.59 118.68 121.01 2dmo s LEU 53 Ca 0.01 0.71 -0.18 0.00 -1.03 0.00 0.00 54.13 53.64 2dmo s LEU 53 Cb -0.01 -3.48 0.04 0.00 0.03 0.00 0.00 46.19 42.77 2dmo s LEU 53 CO -0.06 -0.07 0.42 0.68 0.23 0.00 0.00 176.35 177.56 2dmo s VAL 54 N -1.85 0.06 0.08 -1.59 -7.23 -0.51 -3.84 120.40 105.53 2dmo s VAL 54 Ca 0.44 -0.47 -0.31 0.00 -1.81 0.00 0.00 61.98 59.83 2dmo s VAL 54 Cb -0.11 -1.01 -0.07 0.00 0.56 0.00 0.00 36.38 35.74 2dmo s VAL 54 CO 0.25 -0.26 1.38 -2.16 -0.31 0.00 0.00 175.10 174.01 2dmo s PRO 55 N -2.84 4.32 0.26 4.82 0.04 -1.26 -0.20 135.00 140.15 2dmo s PRO 55 Ca -0.03 2.03 0.13 0.00 0.04 0.00 0.00 61.00 63.18 2dmo s PRO 55 Cb -0.00 -3.34 0.18 0.00 0.04 0.00 0.00 34.50 31.38 2dmo s PRO 55 CO -0.05 -0.46 1.49 0.00 0.04 0.00 0.00 177.00 178.02 2dmo h ASN 57 N 0.00 0.00 -0.83 0.00 4.21 -1.91 -2.75 115.58 114.30 2dmo h ASN 57 Ca -0.01 0.00 -0.33 0.00 1.21 0.00 0.00 56.30 57.18 2dmo h ASN 57 Cb 1.34 0.00 -0.19 0.00 -1.12 0.00 0.00 38.32 38.34 2dmo h ASN 57 CO 0.08 0.31 0.41 -1.22 -1.29 0.00 0.00 177.43 175.72 2dmo n TYR 58 N -3.57 2.67 -4.34 1.19 4.02 -1.19 -4.94 117.16 111.01 2dmo n TYR 58 Ca -0.01 -1.42 -0.17 0.00 -0.01 0.00 0.00 57.90 56.29 2dmo n TYR 58 Cb 0.45 -0.78 -0.10 0.00 -0.02 0.00 0.00 39.34 38.88 2dmo n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2dmo s LEU 59 N -3.04 2.00 -0.01 7.72 1.43 -1.04 -4.08 118.68 121.67 2dmo s LEU 59 Ca 0.55 -1.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.35 2dmo s LEU 59 Cb 0.45 -0.18 0.01 0.00 0.03 0.00 0.00 46.19 46.50 2dmo s LEU 59 CO 0.12 -0.61 0.01 -0.70 0.23 0.00 0.00 176.35 175.41 2dmo s GLU 60 N -3.93 -0.01 0.02 1.70 2.56 -0.69 -4.97 118.70 113.38 2dmo s GLU 60 Ca 0.33 0.07 -0.30 0.00 0.00 0.00 0.00 54.97 55.06 2dmo s GLU 60 Cb 0.07 -0.09 -0.06 0.00 2.00 0.00 0.00 34.13 36.05 2dmo s GLU 60 CO 0.11 -0.06 1.43 -1.25 -0.56 0.00 0.00 175.26 174.93 2dmo s PRO 61 N 0.39 4.28 -0.22 4.30 0.04 -1.26 -0.69 135.00 141.83 2dmo s PRO 61 Ca -0.03 2.02 -0.09 0.00 0.04 0.00 0.00 61.00 62.94 2dmo s PRO 61 Cb -0.05 -3.54 -0.10 0.00 0.04 0.00 0.00 34.50 30.85 2dmo s PRO 61 CO -0.01 -0.58 -0.28 0.28 0.04 0.00 0.00 177.00 176.45 2dmo n VAL 62 N 4.60 1.24 -2.15 -0.36 0.31 -0.99 -4.86 118.33 116.12 2dmo n VAL 62 Ca 0.13 -0.34 -0.43 0.00 -0.01 0.00 0.00 64.34 63.69 2dmo n VAL 62 Cb 0.43 -1.72 -0.02 0.00 -0.91 0.00 0.00 33.84 31.61 2dmo n VAL 62 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2dmo s SER 63 N -6.89 6.29 0.82 4.52 0.15 -1.20 -5.00 113.70 112.40 2dmo s SER 63 Ca -0.31 1.40 -0.12 0.00 0.70 0.00 0.00 55.95 57.62 2dmo s SER 63 Cb 0.11 -2.53 0.10 0.00 -1.71 0.00 0.00 66.02 61.99 2dmo s SER 63 CO 0.41 -1.37 1.18 -0.83 1.20 0.00 0.00 173.24 173.84 2dmo s GLY 64 N 4.47 1.64 0.81 9.45 0.00 -1.26 -4.96 107.32 117.48 2dmo s GLY 64 Ca 0.70 -0.82 -0.11 0.00 0.00 0.00 0.00 44.72 44.50 2dmo s GLY 64 CO 0.30 -0.28 1.09 2.56 0.00 0.00 0.00 173.10 176.77 2dmo s PRO 65 N -5.59 1.96 -0.55 2.90 0.04 -1.26 -4.99 135.00 127.52 2dmo s PRO 65 Ca 0.64 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.79 2dmo s PRO 65 Cb -0.09 -1.87 0.40 0.00 0.04 0.00 0.00 34.50 32.98 2dmo s PRO 65 CO 0.49 -1.82 1.39 0.43 0.04 0.00 0.00 177.00 177.53 2dmo n SER 66 N -3.63 5.56 -0.12 6.66 7.64 -1.26 -4.67 113.62 123.80 2dmo n SER 66 Ca 0.08 -3.76 -0.21 0.00 1.01 0.00 0.00 58.87 56.00 2dmo n SER 66 Cb 0.54 -0.63 -0.10 0.00 -1.01 0.00 0.00 64.21 63.01 2dmo n SER 66 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dmo n SER 67 N -0.52 1.98 0.00 6.43 2.88 -1.26 -5.38 113.62 117.75 2dmo n SER 67 Ca 0.44 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 2dmo n SER 67 Cb 0.56 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 2dmo n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42