#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm0 s PRO 2 N 0.00 4.05 0.40 -2.82 0.04 -1.26 -4.74 135.00 130.67 1dm0 s PRO 2 Ca 0.00 1.48 -0.25 0.00 0.04 0.00 0.00 61.00 62.27 1dm0 s PRO 2 Cb 0.00 -2.41 -0.11 0.00 0.04 0.00 0.00 34.50 32.02 1dm0 s PRO 2 CO 0.00 -0.24 1.06 -0.25 0.04 0.00 0.00 177.00 177.61 1dm0 n ASP 3 N -0.34 1.50 0.00 6.66 9.92 -1.26 -0.78 116.55 132.25 1dm0 n ASP 3 Ca 0.06 1.07 0.00 0.00 -0.53 0.00 0.00 54.79 55.39 1dm0 n ASP 3 Cb 0.50 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.61 1dm0 n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1dm0 s VAL 5 N -1.96 0.00 -0.07 0.00 0.11 -1.15 -4.96 120.40 112.37 1dm0 s VAL 5 Ca 0.00 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.10 1dm0 s VAL 5 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1dm0 s VAL 5 CO 0.00 0.00 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.65 1dm0 s THR 6 N 1.35 1.91 -4.19 5.04 2.01 -1.26 -0.49 115.64 120.00 1dm0 s THR 6 Ca -0.09 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 60.94 1dm0 s THR 6 Cb -0.04 -1.63 0.00 0.00 0.01 0.00 0.00 72.50 70.84 1dm0 s THR 6 CO -0.16 0.53 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 1dm0 n GLY 7 N 3.16 -2.09 3.85 4.40 0.00 -0.34 -4.71 105.19 109.47 1dm0 n GLY 7 Ca -0.18 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 1dm0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dm0 s LYS 8 N -1.86 2.36 -0.07 1.61 1.02 -1.26 -1.57 119.74 119.97 1dm0 s LYS 8 Ca 0.00 0.47 -0.19 0.00 0.02 0.00 0.00 55.97 56.26 1dm0 s LYS 8 Cb 0.00 -1.96 -0.05 0.00 -0.52 0.00 0.00 37.83 35.30 1dm0 s LYS 8 CO 0.00 -1.39 0.54 0.08 -0.92 0.00 0.00 175.35 173.66 1dm0 s VAL 9 N -3.31 5.07 -0.18 3.17 1.01 -1.26 -4.33 120.40 120.57 1dm0 s VAL 9 Ca 0.60 1.11 -0.14 0.00 0.00 0.00 0.00 61.98 63.55 1dm0 s VAL 9 Cb -0.12 -3.88 -0.21 0.00 0.00 0.00 0.00 36.38 32.16 1dm0 s VAL 9 CO 0.52 0.36 0.21 -0.62 0.00 0.00 0.00 175.10 175.57 1dm0 n GLU 10 N 3.29 0.65 -3.82 2.72 1.02 0.96 -4.82 120.64 120.63 1dm0 n GLU 10 Ca -0.07 0.40 -0.09 0.00 -0.02 0.00 0.00 57.16 57.38 1dm0 n GLU 10 Cb 0.51 -1.70 -0.05 0.00 -0.02 0.00 0.00 31.44 30.19 1dm0 n GLU 10 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1dm0 s TYR 11 N -2.46 0.05 0.17 -0.32 -0.85 -1.26 -5.01 117.35 107.67 1dm0 s TYR 11 Ca -0.27 -0.41 0.05 0.00 -0.52 0.00 0.00 57.07 55.92 1dm0 s TYR 11 Cb 0.07 0.27 -0.05 0.00 0.38 0.00 0.00 41.96 42.63 1dm0 s TYR 11 CO 0.66 -0.88 -0.09 0.95 -1.52 0.00 0.00 175.55 174.67 1dm0 s THR 12 N -3.91 1.19 -0.21 -3.49 -4.23 -1.26 -1.16 115.64 102.58 1dm0 s THR 12 Ca 0.12 -2.07 -0.13 0.00 -1.18 0.00 0.00 61.69 58.44 1dm0 s THR 12 Cb 0.00 -1.96 0.06 0.00 1.34 0.00 0.00 72.50 71.95 1dm0 s THR 12 CO -0.01 -0.66 0.51 -0.75 -0.54 0.00 0.00 174.62 173.18 1dm0 s LYS 13 N -3.76 0.52 -0.41 3.99 2.20 0.00 -4.96 119.74 117.32 1dm0 s LYS 13 Ca 0.19 0.92 -0.19 0.00 -0.36 0.00 0.00 55.97 56.53 1dm0 s LYS 13 Cb 0.03 0.07 0.02 0.00 -1.51 0.00 0.00 37.83 36.44 1dm0 s LYS 13 CO 0.03 -0.14 0.57 -0.47 -0.36 0.00 0.00 175.35 174.97 1dm0 s TYR 14 N 1.31 3.11 0.67 4.03 6.14 -1.26 0.38 117.35 131.73 1dm0 s TYR 14 Ca -0.08 -0.06 -0.08 0.00 0.64 0.00 0.00 57.07 57.48 1dm0 s TYR 14 Cb -0.07 -3.16 0.03 0.00 0.42 0.00 0.00 41.96 39.19 1dm0 s TYR 14 CO -0.13 -0.76 1.01 -0.80 0.64 0.00 0.00 175.55 175.51 1dm0 s ASN 15 N 1.90 5.28 0.53 4.32 0.01 -0.51 -4.99 114.94 121.48 1dm0 s ASN 15 Ca 0.20 0.80 0.17 0.00 -0.71 0.00 0.00 52.86 53.31 1dm0 s ASN 15 Cb -0.15 -1.61 1.32 0.00 0.41 0.00 0.00 41.25 41.22 1dm0 s ASN 15 CO 0.16 -1.34 2.16 -0.78 -1.51 0.00 0.00 177.10 175.79 1dm0 h ASP 16 N -0.50 0.00 -0.16 -1.22 3.58 -1.98 0.11 116.42 116.25 1dm0 h ASP 16 Ca -0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1dm0 h ASP 16 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1dm0 h ASP 16 CO 0.62 0.00 0.00 -0.90 -2.88 0.00 0.00 179.24 176.08 1dm0 n ASP 17 N -4.48 1.05 0.00 2.28 5.68 -1.26 -4.89 116.55 114.94 1dm0 n ASP 17 Ca -0.03 -1.81 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 1dm0 n ASP 17 Cb 0.10 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1dm0 n ASP 17 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1dm0 n ASP 18 N -0.00 -1.75 -4.89 -1.12 9.92 0.36 -5.04 116.55 114.04 1dm0 n ASP 18 Ca 0.11 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 54.06 1dm0 n ASP 18 Cb 0.20 -0.29 -0.05 0.00 -0.64 0.00 0.00 41.12 40.34 1dm0 n ASP 18 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1dm0 s THR 19 N -2.79 4.99 -0.17 -3.53 -4.23 -1.26 -4.89 115.64 103.76 1dm0 s THR 19 Ca 0.00 0.30 -0.08 0.00 -1.18 0.00 0.00 61.69 60.73 1dm0 s THR 19 Cb 0.00 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1dm0 s THR 19 CO 0.00 -0.12 0.11 0.12 -0.54 0.00 0.00 174.62 174.19 1dm0 s PHE 20 N -1.86 3.40 -0.13 3.99 5.36 -0.98 -1.42 117.98 126.33 1dm0 s PHE 20 Ca 0.46 0.30 -0.08 0.00 -0.96 0.00 0.00 56.93 56.65 1dm0 s PHE 20 Cb -0.11 -2.08 -0.04 0.00 -0.34 0.00 0.00 43.02 40.45 1dm0 s PHE 20 CO 0.24 0.35 0.14 0.99 -1.46 0.00 0.00 175.22 175.48 1dm0 s THR 21 N 0.04 5.49 0.03 0.12 2.01 0.16 -2.51 115.64 120.96 1dm0 s THR 21 Ca 0.08 0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.38 1dm0 s THR 21 Cb -0.12 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 1dm0 s THR 21 CO -0.00 0.59 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.59 1dm0 s VAL 22 N -0.77 1.86 -0.19 3.82 1.01 -0.98 -0.82 120.40 124.34 1dm0 s VAL 22 Ca 0.14 -1.20 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 1dm0 s VAL 22 Cb -0.12 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1dm0 s VAL 22 CO 0.03 0.34 -0.16 -0.75 0.00 0.00 0.00 175.10 174.56 1dm0 s LYS 23 N -1.03 3.08 -0.07 2.72 2.20 -0.31 -2.29 119.74 124.04 1dm0 s LYS 23 Ca 0.09 -0.78 -0.05 0.00 -0.36 0.00 0.00 55.97 54.87 1dm0 s LYS 23 Cb -0.09 -2.67 0.03 0.00 -1.51 0.00 0.00 37.83 33.59 1dm0 s LYS 23 CO 0.01 -0.20 0.18 0.08 -0.36 0.00 0.00 175.35 175.07 1dm0 s VAL 24 N 1.31 -0.02 0.00 4.02 1.01 -1.13 -0.03 120.40 125.56 1dm0 s VAL 24 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1dm0 s VAL 24 Cb -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1dm0 s VAL 24 CO -0.10 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1dm0 n GLY 25 N 3.62 0.63 0.33 4.51 0.00 -1.26 -3.13 105.19 109.89 1dm0 n GLY 25 Ca -0.20 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.03 1dm0 n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dm0 n ASP 26 N 4.39 2.44 -4.68 1.61 5.68 -1.26 -5.01 116.55 119.73 1dm0 n ASP 26 Ca 0.00 -1.96 -0.28 0.00 -0.50 0.00 0.00 54.79 52.04 1dm0 n ASP 26 Cb 0.00 -0.12 -0.08 0.00 -1.14 0.00 0.00 41.12 39.79 1dm0 n ASP 26 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1dm0 s LYS 27 N -0.97 2.49 -0.14 0.11 -0.14 -1.18 -4.96 119.74 114.94 1dm0 s LYS 27 Ca 0.12 -0.95 0.02 0.00 -1.36 0.00 0.00 55.97 53.80 1dm0 s LYS 27 Cb 0.06 -2.46 0.01 0.00 -1.68 0.00 0.00 37.83 33.76 1dm0 s LYS 27 CO 0.08 0.50 -0.22 -2.00 -0.76 0.00 0.00 175.35 172.96 1dm0 s GLU 28 N -2.59 2.99 0.22 1.68 2.12 -1.26 -2.86 118.70 119.00 1dm0 s GLU 28 Ca 0.26 -0.84 0.03 0.00 0.36 0.00 0.00 54.97 54.78 1dm0 s GLU 28 Cb -0.11 -2.42 -0.05 0.00 0.26 0.00 0.00 34.13 31.81 1dm0 s GLU 28 CO 0.18 -0.02 0.01 -0.51 -0.54 0.00 0.00 175.26 174.38 1dm0 s LEU 29 N 0.84 2.11 0.28 2.70 1.43 -0.97 -0.38 118.68 124.69 1dm0 s LEU 29 Ca -0.07 -1.22 0.02 0.00 -1.03 0.00 0.00 54.13 51.83 1dm0 s LEU 29 Cb -0.15 -0.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 1dm0 s LEU 29 CO -0.02 -0.55 0.14 0.72 0.23 0.00 0.00 176.35 176.87 1dm0 s PHE 30 N -3.52 1.53 -0.01 0.29 -0.71 0.16 -2.32 117.98 113.40 1dm0 s PHE 30 Ca 0.28 -1.33 -0.08 0.00 -1.04 0.00 0.00 56.93 54.77 1dm0 s PHE 30 Cb 0.06 -0.82 0.01 0.00 -1.21 0.00 0.00 43.02 41.05 1dm0 s PHE 30 CO 0.08 -0.50 0.16 -0.08 -1.34 0.00 0.00 175.22 173.54 1dm0 s THR 31 N -3.72 0.06 -0.18 -4.49 -1.32 -1.05 -0.71 115.64 104.24 1dm0 s THR 31 Ca 0.37 -0.53 0.22 0.00 -1.21 0.00 0.00 61.69 60.53 1dm0 s THR 31 Cb 0.06 -0.41 -0.09 0.00 -1.51 0.00 0.00 72.50 70.55 1dm0 s THR 31 CO 0.16 -0.29 0.90 0.59 -2.21 0.00 0.00 174.62 173.76 1dm0 n ASN 32 N 1.75 0.65 -4.64 8.08 3.02 -1.26 -2.33 115.26 120.53 1dm0 n ASN 32 Ca -0.21 0.25 -0.42 0.00 -0.03 0.00 0.00 54.58 54.18 1dm0 n ASN 32 Cb 0.56 0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 40.49 1dm0 n ASN 32 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1dm0 s ARG 33 N -3.37 3.89 0.22 3.52 1.81 -1.26 -4.87 118.95 118.89 1dm0 s ARG 33 Ca -0.02 2.37 0.22 0.00 -1.72 0.00 0.00 55.73 56.58 1dm0 s ARG 33 Cb 0.10 -4.18 0.92 0.00 -0.45 0.00 0.00 34.95 31.34 1dm0 s ARG 33 CO 0.82 -1.23 1.67 0.91 -0.68 0.00 0.00 175.30 176.79 1dm0 n TRP 34 N 8.49 0.68 0.08 -0.53 8.01 -1.26 -3.43 117.44 129.48 1dm0 n TRP 34 Ca 0.22 0.27 -0.13 0.00 -1.31 0.00 0.00 57.50 56.55 1dm0 n TRP 34 Cb 0.42 -0.93 -0.13 0.00 -2.01 0.00 0.00 31.31 28.66 1dm0 n TRP 34 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 1dm0 h ASN 35 N 0.00 0.25 -0.67 -0.99 4.21 -2.01 -3.18 115.58 113.20 1dm0 h ASN 35 Ca 0.00 -0.29 -0.02 0.00 1.21 0.00 0.00 56.30 57.20 1dm0 h ASN 35 Cb 0.34 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.43 1dm0 h ASN 35 CO 0.00 1.23 0.36 -0.07 -1.29 0.00 0.00 177.43 177.66 1dm0 h LEU 36 N 0.04 0.86 -1.01 1.61 3.38 -1.97 -3.15 115.31 115.06 1dm0 h LEU 36 Ca -0.12 -0.07 0.35 0.00 0.09 0.00 0.00 57.88 58.12 1dm0 h LEU 36 Cb 1.91 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 42.35 1dm0 h LEU 36 CO 0.16 0.70 0.66 0.00 0.09 0.00 0.00 178.44 180.05 1dm0 n GLN 37 N -4.36 -0.02 -0.00 1.13 6.02 -1.20 0.25 117.38 119.19 1dm0 n GLN 37 Ca 0.07 0.89 0.09 0.00 -0.01 0.00 0.00 57.00 58.03 1dm0 n GLN 37 Cb 0.11 -1.77 -0.12 0.00 1.02 0.00 0.00 30.24 29.48 1dm0 n GLN 37 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1dm0 n SER 38 N -4.08 0.84 0.01 1.08 2.88 -1.19 -2.01 113.62 111.15 1dm0 n SER 38 Ca 0.29 -0.45 -0.17 0.00 -1.33 0.00 0.00 58.87 57.21 1dm0 n SER 38 Cb 1.14 1.42 -0.14 0.00 -0.75 0.00 0.00 64.21 65.88 1dm0 n SER 38 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1dm0 h LEU 39 N 0.00 0.30 0.24 2.46 3.38 0.33 -2.75 115.31 119.27 1dm0 h LEU 39 Ca 0.00 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1dm0 h LEU 39 Cb 0.62 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1dm0 h LEU 39 CO 0.00 1.55 -0.11 -0.07 0.09 0.00 0.00 178.44 179.89 1dm0 h LEU 40 N 0.05 -0.27 -1.95 1.67 3.38 -0.51 0.19 115.31 117.88 1dm0 h LEU 40 Ca -0.36 -0.06 0.24 0.00 0.09 0.00 0.00 57.88 57.79 1dm0 h LEU 40 Cb 2.03 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.82 1dm0 h LEU 40 CO 0.10 -0.11 0.66 0.25 0.09 0.00 0.00 178.44 179.43 1dm0 h LEU 41 N -0.42 0.00 0.09 1.67 5.85 -1.48 0.10 115.31 121.12 1dm0 h LEU 41 Ca -0.03 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.38 1dm0 h LEU 41 Cb 0.32 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1dm0 h LEU 41 CO 0.05 0.00 -1.65 0.28 -0.34 0.00 0.00 178.44 176.78 1dm0 h SER 42 N 0.00 0.28 -1.00 1.25 0.02 -0.96 -2.76 113.55 110.39 1dm0 h SER 42 Ca 0.39 -0.47 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1dm0 h SER 42 Cb 1.70 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 64.10 1dm0 h SER 42 CO -0.00 1.41 0.66 0.00 -1.14 0.00 0.00 176.83 177.75 1dm0 h ALA 43 N 0.55 1.28 -0.16 3.77 0.00 0.17 -1.87 119.26 123.00 1dm0 h ALA 43 Ca -0.28 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1dm0 h ALA 43 Cb 2.01 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1dm0 h ALA 43 CO 0.13 0.63 0.00 0.37 0.00 0.00 0.00 179.25 180.38 1dm0 h GLN 44 N 1.33 0.28 0.00 0.00 4.15 -1.07 -2.62 115.11 117.18 1dm0 h GLN 44 Ca 0.37 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.70 1dm0 h GLN 44 Cb -0.12 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 1dm0 h GLN 44 CO -0.09 0.50 -0.00 0.82 -1.93 0.00 0.00 178.83 178.13 1dm0 h ILE 45 N 0.03 0.34 -0.14 2.39 2.04 -1.15 -2.79 117.51 118.24 1dm0 h ILE 45 Ca 0.05 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1dm0 h ILE 45 Cb 0.37 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1dm0 h ILE 45 CO 0.01 0.00 0.00 0.35 0.00 0.00 0.00 178.15 178.51 1dm0 n THR 46 N -3.58 1.54 -1.99 -0.27 -2.24 -0.74 -4.99 114.28 102.00 1dm0 n THR 46 Ca -0.03 -1.55 -0.16 0.00 -2.27 0.00 0.00 64.05 60.04 1dm0 n THR 46 Cb 0.08 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 1dm0 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dm0 n GLY 47 N -0.53 0.43 3.78 3.38 0.00 -1.05 -4.98 105.19 106.22 1dm0 n GLY 47 Ca 0.12 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1dm0 n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dm0 s MET 48 N -4.26 3.28 -0.14 1.61 -1.94 -1.01 -4.90 119.30 111.94 1dm0 s MET 48 Ca 0.00 1.40 -0.06 0.00 -1.71 0.00 0.00 55.69 55.32 1dm0 s MET 48 Cb 0.00 -2.01 -0.04 0.00 2.01 0.00 0.00 34.83 34.79 1dm0 s MET 48 CO 0.00 -0.87 0.07 0.99 -0.01 0.00 0.00 175.02 175.20 1dm0 s THR 49 N -2.13 4.87 0.00 2.05 2.01 -1.26 -4.08 115.64 117.10 1dm0 s THR 49 Ca 0.68 -0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.65 1dm0 s THR 49 Cb -0.20 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 1dm0 s THR 49 CO 0.32 0.54 0.01 0.68 -0.69 0.00 0.00 174.62 175.48 1dm0 s VAL 50 N -0.34 0.05 0.02 3.82 -7.23 -0.61 -1.83 120.40 114.28 1dm0 s VAL 50 Ca 0.09 -0.39 0.02 0.00 -1.81 0.00 0.00 61.98 59.88 1dm0 s VAL 50 Cb -0.12 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.63 1dm0 s VAL 50 CO 0.02 -0.22 0.03 -0.89 -0.31 0.00 0.00 175.10 173.73 1dm0 s THR 51 N -0.64 4.32 -0.31 5.32 2.01 -1.04 -1.19 115.64 124.11 1dm0 s THR 51 Ca -0.07 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.33 1dm0 s THR 51 Cb -0.04 -2.98 0.09 0.00 0.01 0.00 0.00 72.50 69.58 1dm0 s THR 51 CO -0.00 0.30 0.02 -0.63 -0.69 0.00 0.00 174.62 173.62 1dm0 s ILE 52 N -1.18 1.91 -0.03 1.82 1.01 0.35 -2.30 121.20 122.78 1dm0 s ILE 52 Ca 0.22 -1.91 -0.22 0.00 0.00 0.00 0.00 60.65 58.74 1dm0 s ILE 52 Cb -0.12 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 1dm0 s ILE 52 CO 0.14 -0.45 0.66 -0.54 0.00 0.00 0.00 174.94 174.75 1dm0 s LYS 53 N 1.13 4.40 -0.08 2.79 1.02 -1.16 -0.77 119.74 127.07 1dm0 s LYS 53 Ca 0.05 0.84 -0.30 0.00 0.02 0.00 0.00 55.97 56.58 1dm0 s LYS 53 Cb -0.19 -3.40 0.07 0.00 -0.52 0.00 0.00 37.83 33.79 1dm0 s LYS 53 CO -0.10 0.20 0.68 -0.08 -0.92 0.00 0.00 175.35 175.14 1dm0 s THR 54 N 0.33 0.00 -0.38 2.17 -1.32 0.04 -4.40 115.64 112.07 1dm0 s THR 54 Ca 0.35 -0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.04 1dm0 s THR 54 Cb -0.18 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.10 1dm0 s THR 54 CO 0.18 -0.00 1.58 0.78 -2.21 0.00 0.00 174.62 174.95 1dm0 h ASN 55 N 3.30 0.00 -2.69 8.08 -0.26 -1.84 -3.36 115.58 118.80 1dm0 h ASN 55 Ca -0.27 0.00 -0.81 0.00 -0.56 0.00 0.00 56.30 54.66 1dm0 h ASN 55 Cb 1.14 0.00 -0.28 0.00 -1.06 0.00 0.00 38.32 38.13 1dm0 h ASN 55 CO 0.34 0.10 0.86 0.00 -1.06 0.00 0.00 177.43 177.67 1dm0 n ALA 56 N -2.12 5.48 -2.63 -0.83 0.00 -1.26 -4.91 120.51 114.23 1dm0 n ALA 56 Ca 0.04 -4.74 -0.43 0.00 0.00 0.00 0.00 53.44 48.30 1dm0 n ALA 56 Cb 0.57 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1dm0 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dm0 s HIS 58 N 1.85 0.38 0.04 0.00 -3.43 -1.26 -5.04 115.29 107.83 1dm0 s HIS 58 Ca 0.44 -0.77 -0.30 0.00 -0.80 0.00 0.00 55.06 53.62 1dm0 s HIS 58 Cb 0.03 0.31 -0.07 0.00 -1.43 0.00 0.00 32.58 31.42 1dm0 s HIS 58 CO 0.01 -1.14 1.52 -0.80 -2.00 0.00 0.00 174.74 172.34 1dm0 s ASN 59 N -3.05 6.73 0.00 7.38 0.01 -1.26 -1.48 114.94 123.26 1dm0 s ASN 59 Ca 0.21 2.31 0.00 0.00 -0.71 0.00 0.00 52.86 54.67 1dm0 s ASN 59 Cb -0.02 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.08 1dm0 s ASN 59 CO 0.11 -0.80 0.00 0.61 -1.51 0.00 0.00 177.10 175.51 1dm0 n GLY 60 N 3.81 0.23 3.53 0.66 0.00 0.49 -4.96 105.19 108.95 1dm0 n GLY 60 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1dm0 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm0 n GLY 61 N -2.00 -0.98 3.89 -0.02 0.00 -0.55 -4.43 105.19 101.10 1dm0 n GLY 61 Ca 0.00 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 1dm0 n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dm0 s GLY 62 N -1.10 1.66 0.11 -0.02 0.00 -1.26 0.41 107.32 107.12 1dm0 s GLY 62 Ca 0.69 -1.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.25 1dm0 s GLY 62 CO 0.53 -1.13 0.10 -0.11 0.00 0.00 0.00 173.10 172.49 1dm0 s PHE 63 N -1.78 0.57 0.00 1.90 -0.71 0.11 -4.53 117.98 113.55 1dm0 s PHE 63 Ca 0.33 -0.99 0.00 0.00 -1.04 0.00 0.00 56.93 55.23 1dm0 s PHE 63 Cb -0.10 -0.31 0.00 0.00 -1.21 0.00 0.00 43.02 41.40 1dm0 s PHE 63 CO 0.27 -0.53 0.00 0.43 -1.34 0.00 0.00 175.22 174.05 1dm0 n SER 64 N -0.06 0.76 -4.18 1.98 7.64 -1.26 -4.46 113.62 114.04 1dm0 n SER 64 Ca -0.10 -0.06 -0.29 0.00 1.01 0.00 0.00 58.87 59.43 1dm0 n SER 64 Cb 0.63 0.28 -0.17 0.00 -1.01 0.00 0.00 64.21 63.94 1dm0 n SER 64 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1dm0 s GLU 65 N -0.43 2.38 0.11 1.43 2.12 -1.26 -5.03 118.70 118.02 1dm0 s GLU 65 Ca 0.00 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.61 1dm0 s GLU 65 Cb 0.00 -1.93 -0.04 0.00 0.26 0.00 0.00 34.13 32.42 1dm0 s GLU 65 CO 0.00 0.22 -0.06 0.08 -0.54 0.00 0.00 175.26 174.97 1dm0 s VAL 66 N 0.18 0.73 -0.04 3.70 1.01 -1.26 -3.00 120.40 121.72 1dm0 s VAL 66 Ca -0.10 -1.95 -0.01 0.00 0.00 0.00 0.00 61.98 59.91 1dm0 s VAL 66 Cb -0.15 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.50 1dm0 s VAL 66 CO 0.05 -0.81 0.03 -0.63 0.00 0.00 0.00 175.10 173.75 1dm0 s ILE 67 N -3.60 0.02 -0.33 2.22 1.01 -0.97 -4.98 121.20 114.56 1dm0 s ILE 67 Ca 0.14 0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.93 1dm0 s ILE 67 Cb 0.05 -0.20 -0.02 0.00 0.01 0.00 0.00 42.46 42.30 1dm0 s ILE 67 CO -0.03 0.16 0.24 -0.36 0.00 0.00 0.00 174.94 174.94 1dm0 s PHE 68 N 1.60 3.23 -2.66 3.97 0.40 -1.26 -2.49 117.98 120.77 1dm0 s PHE 68 Ca -0.02 -0.16 0.27 0.00 -0.60 0.00 0.00 56.93 56.42 1dm0 s PHE 68 Cb -0.13 -2.47 0.78 0.00 0.51 0.00 0.00 43.02 41.71 1dm0 s PHE 68 CO -0.03 -0.33 1.59 0.54 0.70 0.00 0.00 175.22 177.69