#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dm1 s PHE 30 N 0.00 2.92 0.16 -0.32 0.08 -1.26 -5.09 117.98 114.48 3dm1 s PHE 30 Ca 0.00 -0.02 -0.31 0.00 0.12 0.00 0.00 56.93 56.72 3dm1 s PHE 30 Cb 0.00 -1.59 -0.09 0.00 -0.57 0.00 0.00 43.02 40.77 3dm1 s PHE 30 CO 0.00 0.41 1.42 0.08 -0.10 0.00 0.00 175.22 177.03 3dm1 s VAL 31 N -1.07 3.02 -0.01 -0.44 1.01 -1.26 -4.99 120.40 116.66 3dm1 s VAL 31 Ca 0.19 0.77 -0.21 0.00 0.00 0.00 0.00 61.98 62.73 3dm1 s VAL 31 Cb -0.11 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 3dm1 s VAL 31 CO 0.10 0.08 0.63 -0.69 0.00 0.00 0.00 175.10 175.22 3dm1 s VAL 32 N 0.75 4.91 -0.14 2.92 1.01 -1.26 -1.29 120.40 127.29 3dm1 s VAL 32 Ca 0.64 1.31 -0.12 0.00 0.00 0.00 0.00 61.98 63.81 3dm1 s VAL 32 Cb -0.39 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 3dm1 s VAL 32 CO 0.34 0.39 0.10 -0.08 0.00 0.00 0.00 175.10 175.85 3dm1 h GLU 33 N 5.80 0.00 -3.17 2.72 4.81 0.95 -3.41 114.58 122.27 3dm1 h GLU 33 Ca -0.44 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.64 3dm1 h GLU 33 Cb 1.20 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.35 3dm1 h GLU 33 CO 0.71 0.36 -0.40 0.21 -0.73 0.00 0.00 179.01 179.16 3dm1 s LYS 34 N -2.07 0.41 -0.22 1.92 2.20 -0.91 -4.98 119.74 116.09 3dm1 s LYS 34 Ca -0.14 0.11 -0.24 0.00 -0.36 0.00 0.00 55.97 55.33 3dm1 s LYS 34 Cb 0.01 0.19 -0.01 0.00 -1.51 0.00 0.00 37.83 36.51 3dm1 s LYS 34 CO 0.31 -0.08 0.81 0.08 -0.36 0.00 0.00 175.35 176.11 3dm1 s VAL 35 N -0.44 4.87 -0.12 4.02 1.01 -1.26 -0.81 120.40 127.68 3dm1 s VAL 35 Ca -0.05 1.54 0.12 0.00 0.00 0.00 0.00 61.98 63.59 3dm1 s VAL 35 Cb -0.04 -4.10 -0.18 0.00 0.00 0.00 0.00 36.38 32.06 3dm1 s VAL 35 CO 0.01 -0.03 0.09 0.18 0.00 0.00 0.00 175.10 175.35 3dm1 n LEU 36 N 5.70 0.00 -3.72 3.92 4.77 0.49 -5.01 117.00 123.16 3dm1 n LEU 36 Ca 0.05 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.00 3dm1 n LEU 36 Cb 0.48 0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.84 3dm1 n LEU 36 CO 0.47 0.28 0.79 -0.62 -1.33 0.00 0.00 177.39 176.98 3dm1 s ASP 37 N -4.52 -0.16 -0.05 -1.43 -1.08 -1.22 -4.96 116.67 103.24 3dm1 s ASP 37 Ca -0.06 -0.33 -0.04 0.00 -0.52 0.00 0.00 52.55 51.59 3dm1 s ASP 37 Cb 0.05 0.42 0.02 0.00 -1.46 0.00 0.00 42.92 41.95 3dm1 s ASP 37 CO 0.56 -0.77 0.14 -0.60 0.52 0.00 0.00 175.17 175.02 3dm1 s ARG 38 N -3.11 0.15 0.14 4.34 3.52 -1.26 -1.18 118.95 121.54 3dm1 s ARG 38 Ca 0.12 0.22 -0.00 0.00 -0.13 0.00 0.00 55.73 55.94 3dm1 s ARG 38 Cb -0.00 0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.38 3dm1 s ARG 38 CO 0.01 -0.05 0.03 -0.98 -0.81 0.00 0.00 175.30 173.50 3dm1 s ARG 39 N 0.28 0.95 -0.27 5.12 1.70 -0.34 -5.00 118.95 121.39 3dm1 s ARG 39 Ca -0.02 -1.44 -0.03 0.00 -0.47 0.00 0.00 55.73 53.77 3dm1 s ARG 39 Cb -0.03 0.06 0.02 0.00 -0.57 0.00 0.00 34.95 34.44 3dm1 s ARG 39 CO -0.01 -0.20 -0.02 0.08 -1.08 0.00 0.00 175.30 174.08 3dm1 s VAL 40 N -3.90 3.18 -0.08 4.99 1.01 -1.26 -0.90 120.40 123.44 3dm1 s VAL 40 Ca 0.22 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3dm1 s VAL 40 Cb 0.07 -2.65 -0.24 0.00 0.00 0.00 0.00 36.38 33.56 3dm1 s VAL 40 CO 0.01 0.13 0.53 0.55 0.00 0.00 0.00 175.10 176.32 3dm1 n VAL 41 N 4.72 1.67 -2.77 2.92 3.14 -0.70 -4.76 118.33 122.54 3dm1 n VAL 41 Ca -0.16 -0.75 -0.10 0.00 -2.96 0.00 0.00 64.34 60.38 3dm1 n VAL 41 Cb 0.47 -1.28 0.07 0.00 -1.06 0.00 0.00 33.84 32.04 3dm1 n VAL 41 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3dm1 n ASN 42 N -3.20 -2.21 0.00 6.55 2.04 -1.26 -4.87 115.26 112.31 3dm1 n ASN 42 Ca -0.23 -3.56 0.00 0.00 -0.44 0.00 0.00 54.58 50.35 3dm1 n ASN 42 Cb 1.05 1.70 0.00 0.00 -2.53 0.00 0.00 39.78 40.00 3dm1 n ASN 42 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3dm1 n GLY 43 N 0.65 1.47 3.51 4.83 0.00 -1.26 -4.98 105.19 109.42 3dm1 n GLY 43 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3dm1 n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dm1 s LYS 44 N -0.05 3.50 0.20 1.61 0.00 -1.26 -5.08 119.74 118.65 3dm1 s LYS 44 Ca 0.00 -0.63 -0.32 0.00 0.00 0.00 0.00 55.97 55.02 3dm1 s LYS 44 Cb 0.00 -3.74 -0.11 0.00 0.00 0.00 0.00 37.83 33.98 3dm1 s LYS 44 CO 0.00 -0.42 1.63 0.08 0.00 0.00 0.00 175.35 176.65 3dm1 s VAL 45 N 1.70 2.32 0.02 1.79 1.01 -1.26 -1.72 120.40 124.26 3dm1 s VAL 45 Ca 0.06 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.32 3dm1 s VAL 45 Cb -0.17 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 3dm1 s VAL 45 CO 0.10 0.02 -0.15 -1.61 0.00 0.00 0.00 175.10 173.46 3dm1 s GLU 46 N 0.98 1.07 -0.04 2.72 2.02 -0.08 -0.90 118.70 124.47 3dm1 s GLU 46 Ca 0.71 -0.66 0.05 0.00 0.02 0.00 0.00 54.97 55.08 3dm1 s GLU 46 Cb -0.47 -1.07 -0.02 0.00 0.10 0.00 0.00 34.13 32.67 3dm1 s GLU 46 CO 0.33 0.28 -0.17 0.71 0.02 0.00 0.00 175.26 176.43 3dm1 s TYR 47 N -0.62 2.62 -0.23 1.61 1.51 0.93 -1.19 117.35 121.97 3dm1 s TYR 47 Ca 0.04 -0.22 -0.21 0.00 -1.01 0.00 0.00 57.07 55.67 3dm1 s TYR 47 Cb -0.07 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 3dm1 s TYR 47 CO 0.01 0.14 0.64 0.12 -1.11 0.00 0.00 175.55 175.35 3dm1 s PHE 48 N -0.71 3.31 0.09 2.71 5.36 -0.32 0.52 117.98 128.94 3dm1 s PHE 48 Ca 0.11 0.87 0.10 0.00 -0.96 0.00 0.00 56.93 57.05 3dm1 s PHE 48 Cb -0.10 -2.84 -0.03 0.00 -0.34 0.00 0.00 43.02 39.70 3dm1 s PHE 48 CO 0.00 -0.28 -0.26 -0.51 -1.46 0.00 0.00 175.22 172.71 3dm1 s LEU 49 N 2.32 2.27 -0.21 6.12 1.43 0.17 -0.38 118.68 130.41 3dm1 s LEU 49 Ca 0.27 -0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 3dm1 s LEU 49 Cb -0.16 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 3dm1 s LEU 49 CO 0.09 0.22 0.11 -0.75 0.23 0.00 0.00 176.35 176.25 3dm1 s LYS 50 N -1.67 4.02 -0.10 1.70 2.36 0.01 -2.39 119.74 123.67 3dm1 s LYS 50 Ca 0.13 -0.31 -0.18 0.00 -2.55 0.00 0.00 55.97 53.06 3dm1 s LYS 50 Cb -0.10 -3.37 -0.04 0.00 -1.05 0.00 0.00 37.83 33.27 3dm1 s LYS 50 CO 0.04 0.17 0.49 -1.58 1.55 0.00 0.00 175.35 176.03 3dm1 s TRP 51 N 0.69 3.53 0.13 4.03 0.52 -1.26 0.14 118.94 126.72 3dm1 s TRP 51 Ca 0.06 0.93 -0.31 0.00 0.02 0.00 0.00 56.10 56.79 3dm1 s TRP 51 Cb -0.13 -2.56 -0.09 0.00 -1.15 0.00 0.00 33.47 29.55 3dm1 s TRP 51 CO 0.01 0.19 1.47 0.21 0.02 0.00 0.00 176.95 178.86 3dm1 s LYS 52 N 0.52 4.27 0.00 4.98 2.20 -0.41 -1.31 119.74 129.98 3dm1 s LYS 52 Ca 0.27 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 58.07 3dm1 s LYS 52 Cb -0.15 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 3dm1 s LYS 52 CO 0.11 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 3dm1 n GLY 53 N 3.63 0.77 2.60 5.54 0.00 -1.26 -4.78 105.19 111.69 3dm1 n GLY 53 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3dm1 n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dm1 n PHE 54 N -2.26 0.79 -4.36 1.61 3.01 -0.43 -5.18 117.46 110.63 3dm1 n PHE 54 Ca 0.00 -1.81 -0.28 0.00 1.01 0.00 0.00 57.45 56.37 3dm1 n PHE 54 Cb 0.00 -0.22 -0.07 0.00 -0.01 0.00 0.00 39.48 39.18 3dm1 n PHE 54 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3dm1 s THR 55 N -2.35 1.86 -0.14 4.37 -4.23 -1.26 -4.87 115.64 109.02 3dm1 s THR 55 Ca 0.01 -1.81 0.26 0.00 -1.18 0.00 0.00 61.69 58.98 3dm1 s THR 55 Cb 0.00 -2.67 0.27 0.00 1.34 0.00 0.00 72.50 71.45 3dm1 s THR 55 CO 0.01 0.00 1.80 0.44 -0.54 0.00 0.00 174.62 176.33 3dm1 h ASP 56 N 1.39 0.00 0.70 3.99 3.32 -1.99 -0.40 116.42 123.42 3dm1 h ASP 56 Ca -0.42 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.52 3dm1 h ASP 56 Cb 1.27 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 3dm1 h ASP 56 CO 0.72 0.00 -0.51 0.00 -1.72 0.00 0.00 179.24 177.72 3dm1 h ALA 57 N 2.08 1.00 -1.83 3.45 0.00 -2.00 -3.25 119.26 118.71 3dm1 h ALA 57 Ca 0.00 -0.47 -0.76 0.00 0.00 0.00 0.00 54.91 53.68 3dm1 h ALA 57 Cb 0.16 -0.08 -0.31 0.00 0.00 0.00 0.00 17.79 17.55 3dm1 h ALA 57 CO 0.00 0.64 0.54 -0.25 0.00 0.00 0.00 179.25 180.18 3dm1 n ASP 58 N -3.71 6.12 -4.23 0.00 8.00 -0.16 -4.96 116.55 117.61 3dm1 n ASP 58 Ca -0.01 -3.51 -0.28 0.00 0.71 0.00 0.00 54.79 51.70 3dm1 n ASP 58 Cb 0.56 -1.11 -0.16 0.00 -0.02 0.00 0.00 41.12 40.40 3dm1 n ASP 58 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3dm1 s ASN 59 N -1.92 2.61 -0.01 -2.24 -0.87 -1.23 -4.21 114.94 107.06 3dm1 s ASN 59 Ca 0.35 -0.41 -0.02 0.00 -1.57 0.00 0.00 52.86 51.21 3dm1 s ASN 59 Cb 0.11 -0.46 0.00 0.00 -0.02 0.00 0.00 41.25 40.88 3dm1 s ASN 59 CO 0.02 0.24 0.04 0.42 -2.57 0.00 0.00 177.10 175.26 3dm1 s THR 60 N -0.34 0.02 -0.19 1.60 -4.23 -1.01 -4.93 115.64 106.56 3dm1 s THR 60 Ca 0.04 -0.12 -0.29 0.00 -1.18 0.00 0.00 61.69 60.13 3dm1 s THR 60 Cb -0.10 -0.11 -0.01 0.00 1.34 0.00 0.00 72.50 73.62 3dm1 s THR 60 CO 0.01 -0.07 1.23 0.26 -0.54 0.00 0.00 174.62 175.51 3dm1 s TRP 61 N -0.19 2.91 -0.03 3.99 0.52 -1.26 -0.65 118.94 124.22 3dm1 s TRP 61 Ca -0.02 1.07 0.06 0.00 0.02 0.00 0.00 56.10 57.22 3dm1 s TRP 61 Cb -0.02 -3.51 -0.02 0.00 -1.15 0.00 0.00 33.47 28.77 3dm1 s TRP 61 CO 0.00 -1.50 -0.20 -1.21 0.02 0.00 0.00 176.95 174.06 3dm1 s GLU 62 N 3.53 2.30 0.57 4.98 0.41 0.19 -4.92 118.70 125.75 3dm1 s GLU 62 Ca 0.53 -0.82 -0.20 0.00 -0.41 0.00 0.00 54.97 54.07 3dm1 s GLU 62 Cb -0.20 -2.21 -0.04 0.00 -1.78 0.00 0.00 34.13 29.89 3dm1 s GLU 62 CO 0.14 0.59 1.21 -1.25 -0.49 0.00 0.00 175.26 175.46 3dm1 s PRO 63 N -0.73 3.11 0.15 0.39 0.04 -1.26 -0.05 135.00 136.65 3dm1 s PRO 63 Ca 0.11 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 3dm1 s PRO 63 Cb -0.10 -2.02 0.16 0.00 0.04 0.00 0.00 34.50 32.57 3dm1 s PRO 63 CO 0.00 -1.10 1.01 -1.91 0.04 0.00 0.00 177.00 175.05 3dm1 n GLU 64 N -1.39 -0.15 0.28 4.56 0.00 -0.08 -0.81 120.64 123.04 3dm1 n GLU 64 Ca 0.12 1.01 0.18 0.00 0.00 0.00 0.00 57.16 58.47 3dm1 n GLU 64 Cb 0.49 -1.49 0.92 0.00 0.00 0.00 0.00 31.44 31.36 3dm1 n GLU 64 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3dm1 h GLU 65 N 0.00 0.00 0.00 5.31 4.39 -1.91 -2.61 114.58 119.75 3dm1 h GLU 65 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3dm1 h GLU 65 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3dm1 h GLU 65 CO -0.65 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.29 3dm1 n ASN 66 N -3.30 0.35 -4.79 1.42 4.13 0.00 -4.81 115.26 108.28 3dm1 n ASN 66 Ca -0.00 0.56 -0.28 0.00 1.68 0.00 0.00 54.58 56.53 3dm1 n ASN 66 Cb 0.30 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 37.83 3dm1 n ASN 66 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3dm1 s LEU 67 N -3.72 3.79 0.18 3.41 1.02 -0.99 -5.02 118.68 117.36 3dm1 s LEU 67 Ca 0.09 -0.08 0.03 0.00 0.02 0.00 0.00 54.13 54.19 3dm1 s LEU 67 Cb 0.13 -2.43 0.06 0.00 0.02 0.00 0.00 46.19 43.96 3dm1 s LEU 67 CO 0.45 0.11 1.42 0.44 0.02 0.00 0.00 176.35 178.80 3dm1 h ASP 68 N 2.80 0.25 -1.07 2.29 3.32 -1.87 -3.39 116.42 118.75 3dm1 h ASP 68 Ca -0.47 -0.19 -0.42 0.00 0.02 0.00 0.00 57.03 55.97 3dm1 h ASP 68 Cb 1.18 -0.08 -0.41 0.00 0.22 0.00 0.00 39.33 40.25 3dm1 h ASP 68 CO 0.64 0.95 -1.05 0.00 -1.72 0.00 0.00 179.24 178.06 3dm1 h PRO 70 N 2.82 0.00 -0.80 0.00 0.13 -1.85 -2.38 132.00 129.91 3dm1 h PRO 70 Ca 0.02 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.34 3dm1 h PRO 70 Cb 1.14 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 3dm1 h PRO 70 CO 0.57 0.29 0.55 0.93 -0.23 0.00 0.00 178.00 180.10 3dm1 h GLU 71 N 0.00 0.24 -0.02 0.86 3.07 -1.97 -0.51 114.58 116.26 3dm1 h GLU 71 Ca -0.00 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.70 3dm1 h GLU 71 Cb 0.54 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 3dm1 h GLU 71 CO 0.04 0.16 -0.65 -0.07 -1.40 0.00 0.00 179.01 177.09 3dm1 h LEU 72 N 0.25 0.08 0.29 1.33 3.38 -1.84 0.41 115.31 119.21 3dm1 h LEU 72 Ca 0.40 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 3dm1 h LEU 72 Cb 1.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3dm1 h LEU 72 CO -0.09 0.71 -0.14 0.40 0.09 0.00 0.00 178.44 179.40 3dm1 h ILE 73 N 0.05 0.72 -0.69 1.22 2.04 -1.19 -2.70 117.51 116.96 3dm1 h ILE 73 Ca -0.01 -0.62 0.14 0.00 1.00 0.00 0.00 64.86 65.37 3dm1 h ILE 73 Cb 1.15 1.04 -0.10 0.00 -0.74 0.00 0.00 36.82 38.17 3dm1 h ILE 73 CO 0.09 0.12 0.20 -0.33 0.00 0.00 0.00 178.15 178.23 3dm1 h GLU 74 N -0.74 0.31 -0.50 2.37 4.39 -1.33 -1.73 114.58 117.35 3dm1 h GLU 74 Ca -0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3dm1 h GLU 74 Cb 0.50 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 3dm1 h GLU 74 CO 0.07 0.21 0.31 0.00 -1.16 0.00 0.00 179.01 178.44 3dm1 h ALA 75 N 1.54 0.63 -0.13 3.43 0.00 -0.90 -0.95 119.26 122.89 3dm1 h ALA 75 Ca 0.38 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3dm1 h ALA 75 Cb 0.59 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3dm1 h ALA 75 CO -0.44 0.10 -0.02 0.35 0.00 0.00 0.00 179.25 179.25 3dm1 h PHE 76 N 0.67 0.26 -0.77 0.00 3.57 -1.11 -2.93 116.94 116.62 3dm1 h PHE 76 Ca 0.18 -0.05 0.15 0.00 3.53 0.00 0.00 57.97 61.78 3dm1 h PHE 76 Cb -0.04 -0.07 -0.10 0.00 2.79 0.00 0.00 35.95 38.54 3dm1 h PHE 76 CO -0.03 0.51 0.31 -0.07 -2.23 0.00 0.00 178.31 176.80 3dm1 h LEU 77 N -0.06 0.29 -1.08 0.59 3.38 -1.18 -2.57 115.31 114.67 3dm1 h LEU 77 Ca 0.03 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3dm1 h LEU 77 Cb 0.42 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3dm1 h LEU 77 CO 0.01 0.10 0.00 0.78 0.09 0.00 0.00 178.44 179.42 3dm1 h ASN 78 N 0.44 0.00 0.34 -0.43 2.35 -0.99 0.19 115.58 117.48 3dm1 h ASN 78 Ca 0.43 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.13 3dm1 h ASN 78 Cb 0.67 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 3dm1 h ASN 78 CO -0.42 0.00 -0.23 -1.28 -1.65 0.00 0.00 177.43 173.86 3dm1 h SER 79 N 0.00 0.00 -0.77 5.81 0.87 -1.34 -3.35 113.55 114.77 3dm1 h SER 79 Ca 0.00 0.00 -0.44 0.00 -1.23 0.00 0.00 61.79 60.12 3dm1 h SER 79 Cb 0.24 0.00 -0.42 0.00 -0.44 0.00 0.00 62.40 61.79 3dm1 h SER 79 CO 0.00 0.23 -0.94 0.00 -0.53 0.00 0.00 176.83 175.59 3dm1 n GLN 80 N -3.98 2.76 0.00 2.24 6.02 0.67 -5.14 117.38 119.96 3dm1 n GLN 80 Ca -0.02 -3.92 0.00 0.00 -0.01 0.00 0.00 57.00 53.05 3dm1 n GLN 80 Cb 0.30 -1.97 0.00 0.00 1.02 0.00 0.00 30.24 29.60 3dm1 n GLN 80 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41