#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm0 n PRO 2 N 0.00 0.78 -2.20 -2.82 -0.02 -1.26 -4.74 135.00 124.73 1dm0 n PRO 2 Ca 0.00 0.32 -0.39 0.00 -2.02 0.00 0.00 63.50 61.41 1dm0 n PRO 2 Cb 0.00 -2.32 -0.01 0.00 -0.02 0.00 0.00 33.50 31.15 1dm0 n PRO 2 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1dm0 s ASP 3 N -1.49 6.46 -0.04 2.55 1.11 -1.26 -2.34 116.67 121.66 1dm0 s ASP 3 Ca 0.77 2.47 -0.01 0.00 0.18 0.00 0.00 52.55 55.96 1dm0 s ASP 3 Cb -0.37 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 40.97 1dm0 s ASP 3 CO 0.46 -0.73 -0.04 0.00 1.18 0.00 0.00 175.17 176.04 1dm0 s VAL 5 N -2.08 0.02 -0.05 0.00 0.11 -1.08 -4.99 120.40 112.33 1dm0 s VAL 5 Ca -0.05 -0.14 -0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1dm0 s VAL 5 Cb 0.02 -0.81 0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1dm0 s VAL 5 CO 0.08 -0.08 0.11 -0.89 -3.33 0.00 0.00 175.10 170.99 1dm0 s THR 6 N -0.74 -0.07 -2.33 5.04 2.01 -1.26 -0.76 115.64 117.52 1dm0 s THR 6 Ca -0.08 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.13 1dm0 s THR 6 Cb -0.03 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.29 1dm0 s THR 6 CO 0.05 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 1dm0 n GLY 7 N 4.33 -1.18 3.91 4.40 0.00 -0.84 -4.74 105.19 111.07 1dm0 n GLY 7 Ca -0.25 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.93 3.58 -0.32 1.61 1.02 -1.26 0.68 119.74 124.12 1dm0 s LYS 8 Ca 0.00 0.08 -0.29 0.00 0.02 0.00 0.00 55.97 55.78 1dm0 s LYS 8 Cb 0.00 -2.50 0.01 0.00 -0.52 0.00 0.00 37.83 34.82 1dm0 s LYS 8 CO 0.00 -0.02 1.27 0.08 -0.92 0.00 0.00 175.35 175.76 1dm0 s VAL 9 N -2.46 4.18 0.08 3.17 1.01 -1.26 -4.52 120.40 120.60 1dm0 s VAL 9 Ca 0.46 1.32 -0.16 0.00 0.00 0.00 0.00 61.98 63.60 1dm0 s VAL 9 Cb -0.10 -4.21 -0.12 0.00 0.00 0.00 0.00 36.38 31.94 1dm0 s VAL 9 CO 0.38 -0.52 1.35 -0.08 0.00 0.00 0.00 175.10 176.24 1dm0 h GLU 10 N 9.21 0.63 -2.38 2.72 4.81 -1.34 -3.48 114.58 124.75 1dm0 h GLU 10 Ca -0.25 -0.39 0.09 0.00 -0.13 0.00 0.00 59.36 58.68 1dm0 h GLU 10 Cb 1.09 0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.36 1dm0 h GLU 10 CO 1.04 1.00 0.45 1.52 -0.73 0.00 0.00 179.01 182.30 1dm0 s TYR 11 N -4.13 -0.37 0.16 0.92 -0.85 -1.25 -5.01 117.35 106.83 1dm0 s TYR 11 Ca -0.12 0.23 0.09 0.00 -0.52 0.00 0.00 57.07 56.74 1dm0 s TYR 11 Cb 0.08 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 1dm0 s TYR 11 CO 0.83 -0.59 -0.19 0.95 -1.52 0.00 0.00 175.55 175.03 1dm0 s THR 12 N -3.21 1.85 -0.05 -3.49 -4.23 -1.26 -1.15 115.64 104.10 1dm0 s THR 12 Ca 0.04 -1.88 -0.02 0.00 -1.18 0.00 0.00 61.69 58.65 1dm0 s THR 12 Cb -0.01 -1.83 0.03 0.00 1.34 0.00 0.00 72.50 72.02 1dm0 s THR 12 CO -0.10 -0.27 0.11 -1.59 -0.54 0.00 0.00 174.62 172.23 1dm0 s LYS 13 N -2.68 0.08 -0.03 3.99 -2.85 0.54 -4.98 119.74 113.80 1dm0 s LYS 13 Ca 0.15 0.25 -0.26 0.00 -1.00 0.00 0.00 55.97 55.11 1dm0 s LYS 13 Cb -0.06 -0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.56 1dm0 s LYS 13 CO 0.07 -0.11 0.80 -0.47 0.10 0.00 0.00 175.35 175.74 1dm0 s TYR 14 N 0.74 3.62 0.48 1.78 5.04 -1.26 0.19 117.35 127.94 1dm0 s TYR 14 Ca -0.06 1.43 0.02 0.00 -2.44 0.00 0.00 57.07 56.03 1dm0 s TYR 14 Cb -0.08 -2.91 0.01 0.00 0.35 0.00 0.00 41.96 39.33 1dm0 s TYR 14 CO -0.03 0.08 0.68 -0.80 -1.34 0.00 0.00 175.55 174.13 1dm0 s ASN 15 N 0.77 5.58 0.48 4.32 0.01 -0.95 -4.97 114.94 120.19 1dm0 s ASN 15 Ca 0.43 0.01 0.23 0.00 -0.71 0.00 0.00 52.86 52.82 1dm0 s ASN 15 Cb -0.19 -1.10 1.22 0.00 0.41 0.00 0.00 41.25 41.59 1dm0 s ASN 15 CO 0.22 -0.87 1.99 -0.78 -1.51 0.00 0.00 177.10 176.15 1dm0 h ASP 16 N 0.34 0.00 -0.26 -1.22 1.82 -1.97 -2.82 116.42 112.31 1dm0 h ASP 16 Ca -0.44 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.17 1dm0 h ASP 16 Cb 1.28 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.26 1dm0 h ASP 16 CO 0.53 0.18 0.04 -0.90 -1.61 0.00 0.00 179.24 177.48 1dm0 n ASP 17 N -3.74 3.00 0.00 2.28 5.68 -1.26 -4.90 116.55 117.61 1dm0 n ASP 17 Ca -0.02 -2.43 0.00 0.00 -0.50 0.00 0.00 54.79 51.85 1dm0 n ASP 17 Cb 0.29 -0.59 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 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 0.19 -2.67 -4.89 -1.12 8.00 -1.07 -4.99 116.55 109.99 1dm0 n ASP 18 Ca 0.13 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.34 1dm0 n ASP 18 Cb 0.69 -2.92 0.03 0.00 -0.02 0.00 0.00 41.12 38.90 1dm0 n ASP 18 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1dm0 s THR 19 N -1.02 3.92 -0.11 -3.53 -4.23 -1.26 -4.88 115.64 104.54 1dm0 s THR 19 Ca 0.00 0.39 0.03 0.00 -1.18 0.00 0.00 61.69 60.93 1dm0 s THR 19 Cb 0.00 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1dm0 s THR 19 CO 0.00 -0.71 -0.22 0.12 -0.54 0.00 0.00 174.62 173.28 1dm0 s PHE 20 N -3.15 2.41 -0.05 3.99 5.36 -0.15 -2.24 117.98 124.15 1dm0 s PHE 20 Ca 0.55 -1.04 -0.03 0.00 -0.96 0.00 0.00 56.93 55.45 1dm0 s PHE 20 Cb -0.11 -1.64 -0.04 0.00 -0.34 0.00 0.00 43.02 40.90 1dm0 s PHE 20 CO 0.50 -0.45 0.11 0.99 -1.46 0.00 0.00 175.22 174.90 1dm0 s THR 21 N 0.53 5.04 -0.03 0.12 2.01 0.13 -1.09 115.64 122.34 1dm0 s THR 21 Ca -0.15 -0.17 0.07 0.00 0.31 0.00 0.00 61.69 61.75 1dm0 s THR 21 Cb -0.17 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 1dm0 s THR 21 CO 0.05 0.45 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.51 1dm0 s VAL 22 N -1.14 1.86 -0.50 3.82 1.01 -0.70 -0.34 120.40 124.41 1dm0 s VAL 22 Ca 0.21 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1dm0 s VAL 22 Cb -0.12 -1.55 0.13 0.00 0.00 0.00 0.00 36.38 34.84 1dm0 s VAL 22 CO 0.11 0.52 0.28 -0.75 0.00 0.00 0.00 175.10 175.27 1dm0 s LYS 23 N -0.43 2.16 -0.24 2.72 2.47 -0.30 -2.47 119.74 123.65 1dm0 s LYS 23 Ca 0.06 -2.19 -0.03 0.00 -1.56 0.00 0.00 55.97 52.25 1dm0 s LYS 23 Cb -0.10 -3.57 0.01 0.00 -1.46 0.00 0.00 37.83 32.71 1dm0 s LYS 23 CO 0.00 -1.10 -0.04 0.08 0.16 0.00 0.00 175.35 174.45 1dm0 s VAL 24 N 0.50 3.21 0.00 4.02 1.01 -0.89 -0.74 120.40 127.51 1dm0 s VAL 24 Ca 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1dm0 s VAL 24 Cb -0.22 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1dm0 s VAL 24 CO -0.04 0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1dm0 n GLY 25 N 4.75 -0.27 0.08 4.51 0.00 -1.26 -2.96 105.19 110.04 1dm0 n GLY 25 Ca -0.17 -1.15 0.13 0.00 0.00 0.00 0.00 46.02 44.82 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 1.33 0.71 -4.76 1.61 5.68 -1.26 -4.88 116.55 114.97 1dm0 n ASP 26 Ca 0.00 0.31 -0.39 0.00 -0.50 0.00 0.00 54.79 54.21 1dm0 n ASP 26 Cb 0.00 -0.26 -0.06 0.00 -1.14 0.00 0.00 41.12 39.66 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 -3.12 4.71 -0.54 0.11 -0.14 -1.16 -4.95 119.74 114.66 1dm0 s LYS 27 Ca 0.09 1.45 0.04 0.00 -1.36 0.00 0.00 55.97 56.18 1dm0 s LYS 27 Cb 0.13 -3.06 0.15 0.00 -1.68 0.00 0.00 37.83 33.38 1dm0 s LYS 27 CO 0.66 0.38 0.33 -2.00 -0.76 0.00 0.00 175.35 173.96 1dm0 s GLU 28 N -1.59 1.77 0.53 1.68 2.12 -1.26 -2.10 118.70 119.85 1dm0 s GLU 28 Ca 0.46 -2.58 0.07 0.00 0.36 0.00 0.00 54.97 53.28 1dm0 s GLU 28 Cb -0.23 -2.80 0.05 0.00 0.26 0.00 0.00 34.13 31.41 1dm0 s GLU 28 CO 0.29 -1.21 0.56 -0.51 -0.54 0.00 0.00 175.26 173.84 1dm0 s LEU 29 N -0.39 2.98 0.20 2.70 1.43 -1.03 -1.22 118.68 123.36 1dm0 s LEU 29 Ca 0.21 -1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 52.20 1dm0 s LEU 29 Cb -0.15 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1dm0 s LEU 29 CO -0.07 -1.12 0.41 0.72 0.23 0.00 0.00 176.35 176.52 1dm0 s PHE 30 N -2.68 0.27 -0.00 0.29 -0.12 -0.58 -1.72 117.98 113.45 1dm0 s PHE 30 Ca 0.47 -0.62 -0.01 0.00 -0.05 0.00 0.00 56.93 56.72 1dm0 s PHE 30 Cb -0.04 0.14 -0.00 0.00 -0.63 0.00 0.00 43.02 42.49 1dm0 s PHE 30 CO 0.29 -0.87 0.02 -0.08 -0.05 0.00 0.00 175.22 174.53 1dm0 s THR 31 N -3.97 0.04 -2.65 -4.49 -1.32 -0.25 -0.58 115.64 102.42 1dm0 s THR 31 Ca 0.18 -0.32 0.23 0.00 -1.21 0.00 0.00 61.69 60.56 1dm0 s THR 31 Cb 0.01 -0.14 0.29 0.00 -1.51 0.00 0.00 72.50 71.15 1dm0 s THR 31 CO 0.03 -0.18 1.30 -0.46 -2.21 0.00 0.00 174.62 173.10 1dm0 n ASN 32 N 2.51 3.16 -4.65 8.08 6.94 -1.26 -0.98 115.26 129.06 1dm0 n ASN 32 Ca -0.16 -1.97 -0.43 0.00 -0.02 0.00 0.00 54.58 52.00 1dm0 n ASN 32 Cb 0.58 -0.12 -0.02 0.00 -2.36 0.00 0.00 39.78 37.86 1dm0 n ASN 32 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1dm0 s ARG 33 N -1.70 4.17 0.47 -3.83 1.81 -1.26 -4.95 118.95 113.66 1dm0 s ARG 33 Ca 0.32 1.31 0.26 0.00 -1.72 0.00 0.00 55.73 55.89 1dm0 s ARG 33 Cb 0.21 -3.71 1.05 0.00 -0.45 0.00 0.00 34.95 32.05 1dm0 s ARG 33 CO 0.30 -0.76 1.88 -1.49 -0.68 0.00 0.00 175.30 174.54 1dm0 h TRP 34 N 7.90 0.00 0.00 -0.53 4.06 -1.94 -3.08 115.95 122.36 1dm0 h TRP 34 Ca -0.21 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.68 1dm0 h TRP 34 Cb 1.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 1dm0 h TRP 34 CO 0.79 0.19 -0.29 -0.91 -3.56 0.00 0.00 178.44 174.66 1dm0 h ASN 35 N 0.00 0.00 0.52 -3.49 4.21 -2.00 -2.93 115.58 111.90 1dm0 h ASN 35 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1dm0 h ASN 35 Cb 0.66 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 1dm0 h ASN 35 CO 0.02 0.29 -0.07 0.18 -1.29 0.00 0.00 177.43 176.56 1dm0 n LEU 36 N -3.59 0.22 -0.06 1.61 4.77 -1.16 -4.02 117.00 114.77 1dm0 n LEU 36 Ca -0.01 0.18 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 1dm0 n LEU 36 Cb 0.43 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1dm0 n LEU 36 CO 0.35 0.04 0.95 1.56 -1.33 0.00 0.00 177.39 178.97 1dm0 h GLN 37 N 0.23 0.27 0.07 3.23 4.20 -1.68 0.08 115.11 121.51 1dm0 h GLN 37 Ca 0.00 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 1dm0 h GLN 37 Cb 0.35 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.08 1dm0 h GLN 37 CO 0.00 0.18 -0.58 0.77 -0.67 0.00 0.00 178.83 178.53 1dm0 h SER 38 N 0.28 0.39 -0.89 1.46 0.02 -1.81 -3.06 113.55 109.94 1dm0 h SER 38 Ca 0.10 -0.89 0.23 0.00 -0.84 0.00 0.00 61.79 60.39 1dm0 h SER 38 Cb 0.01 -0.12 -0.16 0.00 0.14 0.00 0.00 62.40 62.27 1dm0 h SER 38 CO -0.06 1.24 0.07 -0.07 -1.14 0.00 0.00 176.83 176.87 1dm0 h LEU 39 N -0.40 -0.33 -0.23 5.07 3.38 -1.66 0.23 115.31 121.37 1dm0 h LEU 39 Ca -0.09 0.23 -0.20 0.00 0.09 0.00 0.00 57.88 57.91 1dm0 h LEU 39 Cb 1.39 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 1dm0 h LEU 39 CO 0.11 -0.25 -0.92 -0.07 0.09 0.00 0.00 178.44 177.40 1dm0 h LEU 40 N 0.08 0.21 0.00 1.67 3.38 -1.07 -1.40 115.31 118.19 1dm0 h LEU 40 Ca 0.53 -0.18 -0.21 0.00 0.09 0.00 0.00 57.88 58.11 1dm0 h LEU 40 Cb 1.04 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1dm0 h LEU 40 CO -0.78 1.01 -1.05 0.25 0.09 0.00 0.00 178.44 177.96 1dm0 h LEU 41 N 0.08 0.00 -0.96 1.67 5.85 -1.24 -2.86 115.31 117.85 1dm0 h LEU 41 Ca -0.04 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 1dm0 h LEU 41 Cb 1.57 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 1dm0 h LEU 41 CO 0.14 0.92 -0.21 0.28 -0.34 0.00 0.00 178.44 179.22 1dm0 h SER 42 N 0.00 0.50 0.00 1.25 0.02 -0.57 0.38 113.55 115.13 1dm0 h SER 42 Ca -0.05 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1dm0 h SER 42 Cb 1.75 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.15 1dm0 h SER 42 CO 0.11 0.72 0.00 0.00 -1.14 0.00 0.00 176.83 176.52 1dm0 n ALA 43 N -2.49 2.49 -0.02 3.77 0.00 -0.53 -2.51 120.51 121.22 1dm0 n ALA 43 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 1dm0 n ALA 43 Cb 0.38 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 1dm0 n ALA 43 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1dm0 n GLN 44 N -0.92 3.26 0.18 0.00 7.27 -0.74 -3.17 117.38 123.27 1dm0 n GLN 44 Ca 0.17 -0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.37 1dm0 n GLN 44 Cb 0.08 -1.11 0.41 0.00 2.41 0.00 0.00 30.24 32.03 1dm0 n GLN 44 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1dm0 h ILE 45 N 0.00 0.00 -0.12 1.69 2.04 -0.84 -3.30 117.51 116.98 1dm0 h ILE 45 Ca -0.11 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1dm0 h ILE 45 Cb 1.26 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 1dm0 h ILE 45 CO 0.01 0.00 -0.08 0.35 0.00 0.00 0.00 178.15 178.43 1dm0 n THR 46 N -2.70 2.13 -0.76 -0.27 -2.24 -1.04 -5.02 114.28 104.37 1dm0 n THR 46 Ca 0.03 -2.36 0.00 0.00 -2.27 0.00 0.00 64.05 59.46 1dm0 n THR 46 Cb 0.40 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.10 0.27 3.69 3.38 0.00 -1.25 -4.98 105.19 105.20 1dm0 n GLY 47 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1dm0 n GLY 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1dm0 n MET 48 N -1.48 0.62 -3.70 1.61 2.81 -1.19 -4.96 117.12 110.84 1dm0 n MET 48 Ca 0.00 0.28 -0.37 0.00 -1.81 0.00 0.00 57.70 55.80 1dm0 n MET 48 Cb 0.10 -2.44 -0.06 0.00 -0.71 0.00 0.00 33.22 30.11 1dm0 n MET 48 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1dm0 s THR 49 N -1.76 5.34 0.23 2.03 2.01 -1.18 -4.19 115.64 118.11 1dm0 s THR 49 Ca 0.77 0.43 0.10 0.00 0.31 0.00 0.00 61.69 63.30 1dm0 s THR 49 Cb -0.34 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 1dm0 s THR 49 CO 0.46 0.54 -0.19 0.68 -0.69 0.00 0.00 174.62 175.43 1dm0 s VAL 50 N -0.54 2.14 -0.14 3.82 -7.23 0.21 -2.55 120.40 116.11 1dm0 s VAL 50 Ca 0.16 -2.22 -0.01 0.00 -1.81 0.00 0.00 61.98 58.10 1dm0 s VAL 50 Cb -0.13 -2.12 0.04 0.00 0.56 0.00 0.00 36.38 34.72 1dm0 s VAL 50 CO 0.05 -0.40 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.52 1dm0 s THR 51 N -2.45 0.83 -0.29 5.32 2.01 -0.51 -1.98 115.64 118.58 1dm0 s THR 51 Ca 0.24 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.76 1dm0 s THR 51 Cb -0.04 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 1dm0 s THR 51 CO 0.11 0.15 0.16 -0.63 -0.69 0.00 0.00 174.62 173.71 1dm0 s ILE 52 N 1.76 4.91 -0.20 1.82 1.01 0.06 -0.37 121.20 130.18 1dm0 s ILE 52 Ca 0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 1dm0 s ILE 52 Cb -0.14 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1dm0 s ILE 52 CO -0.07 0.20 0.06 -0.54 0.00 0.00 0.00 174.94 174.59 1dm0 s LYS 53 N 1.69 3.84 0.02 2.79 1.02 -0.71 -0.06 119.74 128.33 1dm0 s LYS 53 Ca 0.06 -0.40 -0.28 0.00 0.02 0.00 0.00 55.97 55.37 1dm0 s LYS 53 Cb -0.16 -3.24 0.10 0.00 -0.52 0.00 0.00 37.83 34.01 1dm0 s LYS 53 CO 0.08 0.11 0.87 -0.08 -0.92 0.00 0.00 175.35 175.40 1dm0 s THR 54 N 0.81 0.00 -0.13 2.17 -1.32 -0.99 -4.08 115.64 112.10 1dm0 s THR 54 Ca 0.03 -0.05 -0.02 0.00 -1.21 0.00 0.00 61.69 60.45 1dm0 s THR 54 Cb -0.14 -1.07 -0.24 0.00 -1.51 0.00 0.00 72.50 69.54 1dm0 s THR 54 CO 0.02 0.00 0.31 0.59 -2.21 0.00 0.00 174.62 173.34 1dm0 n ASN 55 N -0.27 1.87 -3.59 8.08 3.02 -1.26 -4.39 115.26 118.72 1dm0 n ASN 55 Ca -0.09 0.18 -0.41 0.00 -0.03 0.00 0.00 54.58 54.22 1dm0 n ASN 55 Cb 0.62 -0.63 -0.05 0.00 -0.61 0.00 0.00 39.78 39.11 1dm0 n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dm0 n ALA 56 N -2.97 3.50 -3.03 5.41 0.00 -1.26 -4.73 120.51 117.43 1dm0 n ALA 56 Ca -0.32 -3.22 -0.44 0.00 0.00 0.00 0.00 53.44 49.46 1dm0 n ALA 56 Cb 1.04 -3.58 -0.01 0.00 0.00 0.00 0.00 19.45 16.91 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 1.24 0.00 0.29 0.00 -3.43 -1.26 -5.05 115.29 107.08 1dm0 s HIS 58 Ca 0.37 -0.29 -0.30 0.00 -0.80 0.00 0.00 55.06 54.04 1dm0 s HIS 58 Cb -0.05 0.64 -0.12 0.00 -1.43 0.00 0.00 32.58 31.63 1dm0 s HIS 58 CO -0.04 -0.70 1.56 0.09 -2.00 0.00 0.00 174.74 173.65 1dm0 n ASN 59 N -0.92 3.67 0.00 7.38 4.13 -1.26 -1.62 115.26 126.64 1dm0 n ASN 59 Ca -0.04 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.38 1dm0 n ASN 59 Cb 0.60 -1.57 0.00 0.00 -1.54 0.00 0.00 39.78 37.27 1dm0 n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dm0 n GLY 60 N 2.05 1.35 3.84 7.41 0.00 -0.35 -4.99 105.19 114.49 1dm0 n GLY 60 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1dm0 n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dm0 s GLY 61 N -1.92 2.35 0.25 -0.02 0.00 -0.64 -4.80 107.32 102.53 1dm0 s GLY 61 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 44.72 44.87 1dm0 s GLY 61 CO 0.00 0.32 0.35 -0.32 0.00 0.00 0.00 173.10 173.45 1dm0 s GLY 62 N -2.25 1.26 0.01 0.20 0.00 -1.26 -1.52 107.32 103.76 1dm0 s GLY 62 Ca 0.55 -1.27 -0.10 0.00 0.00 0.00 0.00 44.72 43.91 1dm0 s GLY 62 CO 0.17 -1.29 0.19 -0.11 0.00 0.00 0.00 173.10 172.07 1dm0 s PHE 63 N -2.01 0.00 0.00 1.90 -0.71 0.25 -4.60 117.98 112.81 1dm0 s PHE 63 Ca 0.35 -0.10 0.00 0.00 -1.04 0.00 0.00 56.93 56.13 1dm0 s PHE 63 Cb -0.09 -0.01 0.00 0.00 -1.21 0.00 0.00 43.02 41.71 1dm0 s PHE 63 CO 0.29 -0.36 0.10 0.43 -1.34 0.00 0.00 175.22 174.34 1dm0 n SER 64 N 1.13 0.20 -4.13 1.98 7.64 -1.26 -4.41 113.62 114.77 1dm0 n SER 64 Ca -0.21 -0.53 -0.30 0.00 1.01 0.00 0.00 58.87 58.84 1dm0 n SER 64 Cb 0.57 0.44 -0.17 0.00 -1.01 0.00 0.00 64.21 64.05 1dm0 n SER 64 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1dm0 s GLU 65 N -0.44 2.62 0.03 1.43 2.02 -1.26 -5.08 118.70 118.02 1dm0 s GLU 65 Ca 0.00 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 54.27 1dm0 s GLU 65 Cb 0.00 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 32.10 1dm0 s GLU 65 CO 0.00 0.03 -0.02 0.08 0.02 0.00 0.00 175.26 175.36 1dm0 s VAL 66 N 0.73 0.14 -0.16 2.63 1.01 -1.26 -1.74 120.40 121.75 1dm0 s VAL 66 Ca -0.11 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1dm0 s VAL 66 Cb -0.16 -0.67 0.03 0.00 0.00 0.00 0.00 36.38 35.58 1dm0 s VAL 66 CO 0.02 -0.65 -0.13 -0.63 0.00 0.00 0.00 175.10 173.70 1dm0 s ILE 67 N -2.24 1.58 -0.21 2.22 1.01 0.50 -4.94 121.20 119.12 1dm0 s ILE 67 Ca -0.09 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.75 1dm0 s ILE 67 Cb -0.04 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 1dm0 s ILE 67 CO -0.04 0.40 0.22 -0.36 0.00 0.00 0.00 174.94 175.16 1dm0 s PHE 68 N 1.47 3.37 0.00 3.97 0.08 -1.26 -1.42 117.98 124.19 1dm0 s PHE 68 Ca 0.04 0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.46 1dm0 s PHE 68 Cb -0.13 -2.30 0.00 0.00 -0.57 0.00 0.00 43.02 40.01 1dm0 s PHE 68 CO -0.10 0.12 0.00 -2.13 -0.10 0.00 0.00 175.22 173.01