#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3da7 s ARG 4 N 0.00 4.32 0.23 1.61 3.52 -1.26 -4.98 118.95 122.39 3da7 s ARG 4 Ca 0.00 2.10 0.12 0.00 -0.13 0.00 0.00 55.73 57.82 3da7 s ARG 4 Cb 0.00 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 30.12 3da7 s ARG 4 CO 0.00 -0.42 -0.22 0.95 -0.81 0.00 0.00 175.30 174.80 3da7 s THR 5 N 0.92 2.45 0.18 4.11 -4.23 -1.26 -4.97 115.64 112.84 3da7 s THR 5 Ca 0.64 -2.19 0.10 0.00 -1.18 0.00 0.00 61.69 59.06 3da7 s THR 5 Cb -0.37 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 3da7 s THR 5 CO 0.32 -0.25 -0.21 0.26 -0.54 0.00 0.00 174.62 174.20 3da7 s TRP 6 N -2.05 2.06 0.16 3.99 0.52 -1.25 -1.17 118.94 121.20 3da7 s TRP 6 Ca 0.25 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 55.98 3da7 s TRP 6 Cb -0.07 -1.02 -0.05 0.00 -1.15 0.00 0.00 33.47 31.19 3da7 s TRP 6 CO 0.12 0.42 -0.02 1.03 0.02 0.00 0.00 176.95 178.52 3da7 s ARG 7 N -2.74 1.09 0.16 4.98 0.52 0.13 -1.31 118.95 121.78 3da7 s ARG 7 Ca 0.18 -1.51 0.04 0.00 -0.52 0.00 0.00 55.73 53.93 3da7 s ARG 7 Cb -0.07 -0.35 -0.05 0.00 0.52 0.00 0.00 34.95 35.00 3da7 s ARG 7 CO 0.08 -0.08 -0.08 -1.83 0.02 0.00 0.00 175.30 173.42 3da7 s GLU 8 N -3.87 1.10 -0.08 3.54 -1.05 -0.22 -1.47 118.70 116.65 3da7 s GLU 8 Ca 0.22 -1.49 -0.18 0.00 -0.15 0.00 0.00 54.97 53.36 3da7 s GLU 8 Cb 0.05 -0.59 0.04 0.00 -0.44 0.00 0.00 34.13 33.20 3da7 s GLU 8 CO 0.03 0.03 0.43 0.00 0.95 0.00 0.00 175.26 176.70 3da7 s ALA 9 N -3.37 -1.09 0.41 -0.84 0.00 -0.76 0.63 121.76 116.74 3da7 s ALA 9 Ca 0.19 0.87 -0.24 0.00 0.00 0.00 0.00 51.96 52.78 3da7 s ALA 9 Cb 0.03 -0.25 -0.08 0.00 0.00 0.00 0.00 23.12 22.82 3da7 s ALA 9 CO 0.02 -0.26 1.10 -0.51 0.00 0.00 0.00 175.76 176.11 3da7 s ASP 10 N -0.70 6.59 0.07 0.00 1.11 0.56 -0.91 116.67 123.40 3da7 s ASP 10 Ca -0.08 2.17 0.08 0.00 0.18 0.00 0.00 52.55 54.90 3da7 s ASP 10 Cb -0.03 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 3da7 s ASP 10 CO 0.04 -0.61 -0.18 -0.63 1.18 0.00 0.00 175.17 174.97 3da7 s ILE 11 N -1.56 2.85 -1.13 0.77 -1.09 -0.21 -4.77 121.20 116.06 3da7 s ILE 11 Ca 0.58 -1.30 -0.01 0.00 -2.23 0.00 0.00 60.65 57.69 3da7 s ILE 11 Cb -0.26 -2.25 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 3da7 s ILE 11 CO 0.32 0.24 0.09 0.59 -1.23 0.00 0.00 174.94 174.95 3da7 n ASN 12 N 1.23 -4.29 -4.67 3.58 3.02 -1.26 -4.57 115.26 108.30 3da7 n ASN 12 Ca -0.16 -0.05 -0.38 0.00 -0.03 0.00 0.00 54.58 53.96 3da7 n ASN 12 Cb 0.52 -3.39 -0.08 0.00 -0.61 0.00 0.00 39.78 36.22 3da7 n ASN 12 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3da7 s TYR 13 N -2.74 3.37 0.04 3.10 5.04 -1.26 -4.92 117.35 119.98 3da7 s TYR 13 Ca 0.05 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.29 3da7 s TYR 13 Cb -0.02 -2.53 0.00 0.00 0.35 0.00 0.00 41.96 39.76 3da7 s TYR 13 CO 0.06 -0.02 0.00 0.25 -1.34 0.00 0.00 175.55 174.50 3da7 n THR 14 N 4.36 0.28 -4.37 4.34 -2.24 -1.26 -4.92 114.28 110.48 3da7 n THR 14 Ca -0.08 0.09 -0.32 0.00 -2.27 0.00 0.00 64.05 61.47 3da7 n THR 14 Cb 0.51 -0.92 -0.10 0.00 -2.10 0.00 0.00 70.33 67.72 3da7 n THR 14 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3da7 s SER 15 N -5.05 4.88 0.73 3.42 0.15 -1.26 -4.94 113.70 111.63 3da7 s SER 15 Ca 0.00 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.58 3da7 s SER 15 Cb 0.00 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 3da7 s SER 15 CO 0.00 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.33 3da7 n GLY 16 N 1.48 2.16 3.76 9.45 0.00 -1.26 -4.75 105.19 116.03 3da7 n GLY 16 Ca -0.15 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 3da7 n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3da7 s PHE 17 N 0.00 3.19 0.93 1.61 0.08 -1.26 -4.80 117.98 117.72 3da7 s PHE 17 Ca 0.00 1.40 -0.10 0.00 0.12 0.00 0.00 56.93 58.35 3da7 s PHE 17 Cb 0.00 -3.60 0.15 0.00 -0.57 0.00 0.00 43.02 39.00 3da7 s PHE 17 CO 0.00 -1.67 1.13 1.03 -0.10 0.00 0.00 175.22 175.61 3da7 s ARG 18 N -1.29 0.89 0.23 0.44 0.52 -1.26 -5.02 118.95 113.47 3da7 s ARG 18 Ca 0.50 1.45 0.03 0.00 -0.52 0.00 0.00 55.73 57.19 3da7 s ARG 18 Cb -0.38 -1.72 0.03 0.00 0.52 0.00 0.00 34.95 33.40 3da7 s ARG 18 CO 0.47 -2.68 0.21 0.27 0.02 0.00 0.00 175.30 173.59 3da7 n ASN 19 N -4.26 1.54 -1.38 0.23 0.23 -1.26 -5.04 115.26 105.31 3da7 n ASN 19 Ca 0.11 -1.76 0.09 0.00 -0.53 0.00 0.00 54.58 52.49 3da7 n ASN 19 Cb 0.52 -0.05 0.31 0.00 -2.08 0.00 0.00 39.78 38.48 3da7 n ASN 19 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3da7 n SER 20 N -2.12 4.05 -4.63 0.53 3.41 -1.26 -4.93 113.62 108.67 3da7 n SER 20 Ca 0.01 -2.24 -0.35 0.00 -0.26 0.00 0.00 58.87 56.02 3da7 n SER 20 Cb 0.26 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.60 3da7 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3da7 s ASP 21 N -0.91 5.80 0.03 4.04 1.01 -1.26 -1.91 116.67 123.48 3da7 s ASP 21 Ca 0.46 0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.79 3da7 s ASP 21 Cb 0.27 -2.02 -0.03 0.00 1.01 0.00 0.00 42.92 42.15 3da7 s ASP 21 CO 0.26 0.11 -0.04 -0.13 0.21 0.00 0.00 175.17 175.58 3da7 s ARG 22 N 0.76 0.44 -0.08 8.23 1.81 0.24 -1.05 118.95 129.29 3da7 s ARG 22 Ca 0.05 -0.80 0.03 0.00 -1.72 0.00 0.00 55.73 53.29 3da7 s ARG 22 Cb -0.13 0.03 -0.02 0.00 -0.45 0.00 0.00 34.95 34.39 3da7 s ARG 22 CO 0.02 -0.04 -0.16 -1.50 -0.68 0.00 0.00 175.30 172.94 3da7 s ILE 23 N -2.04 2.81 -0.10 1.52 2.07 -0.09 -0.91 121.20 124.47 3da7 s ILE 23 Ca -0.09 -0.78 0.03 0.00 -1.41 0.00 0.00 60.65 58.40 3da7 s ILE 23 Cb -0.06 -2.12 -0.01 0.00 0.13 0.00 0.00 42.46 40.41 3da7 s ILE 23 CO -0.03 0.56 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.60 3da7 s LEU 24 N -0.15 2.30 -0.00 8.50 2.01 0.59 -1.82 118.68 130.12 3da7 s LEU 24 Ca -0.02 -0.47 0.01 0.00 0.01 0.00 0.00 54.13 53.66 3da7 s LEU 24 Cb -0.14 -1.47 -0.00 0.00 0.01 0.00 0.00 46.19 44.59 3da7 s LEU 24 CO 0.04 0.17 -0.04 -0.72 1.01 0.00 0.00 176.35 176.81 3da7 s TYR 25 N 0.27 0.34 0.48 0.29 1.13 -0.54 -0.05 117.35 119.26 3da7 s TYR 25 Ca -0.14 -0.09 0.08 0.00 -1.41 0.00 0.00 57.07 55.51 3da7 s TYR 25 Cb -0.17 -0.22 0.02 0.00 -1.10 0.00 0.00 41.96 40.50 3da7 s TYR 25 CO 0.07 -0.01 0.50 -1.54 -2.51 0.00 0.00 175.55 172.06 3da7 s SER 26 N -0.17 5.07 0.29 -0.18 1.04 0.16 -0.69 113.70 119.22 3da7 s SER 26 Ca 0.01 -0.82 0.25 0.00 0.48 0.00 0.00 55.95 55.86 3da7 s SER 26 Cb -0.02 -0.19 1.03 0.00 0.10 0.00 0.00 66.02 66.94 3da7 s SER 26 CO -0.00 -0.91 1.74 0.77 0.98 0.00 0.00 173.24 175.82 3da7 h SER 27 N 0.72 0.00 -0.34 7.02 4.64 -1.48 -0.79 113.55 123.33 3da7 h SER 27 Ca -0.38 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 3da7 h SER 27 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3da7 h SER 27 CO 0.52 0.00 0.01 -0.90 -0.87 0.00 0.00 176.83 175.59 3da7 n ASP 28 N -2.34 4.14 -2.31 4.97 5.75 -1.26 -4.96 116.55 120.54 3da7 n ASP 28 Ca 0.02 -3.07 -0.19 0.00 -0.01 0.00 0.00 54.79 51.54 3da7 n ASP 28 Cb 0.24 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 3da7 n ASP 28 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3da7 n TRP 29 N -0.36 -1.15 -2.64 2.11 7.02 -0.30 -4.98 117.44 117.14 3da7 n TRP 29 Ca 0.24 0.14 -0.41 0.00 -1.02 0.00 0.00 57.50 56.45 3da7 n TRP 29 Cb 0.98 -3.82 -0.04 0.00 -2.42 0.00 0.00 31.31 26.01 3da7 n TRP 29 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3da7 s LEU 30 N -5.58 4.51 -0.04 -0.99 1.43 -1.26 -4.83 118.68 111.91 3da7 s LEU 30 Ca 0.08 1.95 0.01 0.00 -1.03 0.00 0.00 54.13 55.13 3da7 s LEU 30 Cb -0.04 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.61 3da7 s LEU 30 CO 0.10 -0.11 -0.03 -0.63 0.23 0.00 0.00 176.35 175.92 3da7 s ILE 31 N -0.26 0.44 0.28 -0.59 1.01 -1.26 -0.67 121.20 120.16 3da7 s ILE 31 Ca 0.47 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 61.10 3da7 s ILE 31 Cb -0.26 -0.49 -0.06 0.00 0.01 0.00 0.00 42.46 41.65 3da7 s ILE 31 CO 0.32 0.21 0.05 -0.31 0.00 0.00 0.00 174.94 175.21 3da7 s TYR 32 N 1.05 1.77 0.09 3.97 1.51 0.93 -1.44 117.35 125.22 3da7 s TYR 32 Ca -0.09 -0.99 0.02 0.00 -1.01 0.00 0.00 57.07 55.00 3da7 s TYR 32 Cb -0.14 -1.10 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 3da7 s TYR 32 CO -0.01 -0.07 -0.06 -1.59 -1.11 0.00 0.00 175.55 172.71 3da7 s LYS 33 N -3.91 0.78 -0.01 -0.62 -2.85 -0.07 -0.30 119.74 112.76 3da7 s LYS 33 Ca 0.35 -1.25 -0.00 0.00 -1.00 0.00 0.00 55.97 54.06 3da7 s LYS 33 Cb 0.08 -0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.67 3da7 s LYS 33 CO 0.13 -0.02 0.01 -0.08 0.10 0.00 0.00 175.35 175.50 3da7 s THR 34 N -3.37 -0.01 -0.00 3.79 -1.32 -0.08 -1.78 115.64 112.87 3da7 s THR 34 Ca 0.09 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.59 3da7 s THR 34 Cb 0.04 -0.03 0.00 0.00 -1.51 0.00 0.00 72.50 71.00 3da7 s THR 34 CO -0.05 0.01 0.41 0.35 -2.21 0.00 0.00 174.62 173.13 3da7 n THR 35 N 3.22 0.00 -2.37 5.08 -2.24 -1.26 -0.59 114.28 116.11 3da7 n THR 35 Ca -0.14 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 60.90 3da7 n THR 35 Cb 0.59 1.00 0.01 0.00 -2.10 0.00 0.00 70.33 69.83 3da7 n THR 35 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3da7 n ASP 36 N -0.18 4.39 -3.87 3.42 5.68 -1.24 -4.57 116.55 120.18 3da7 n ASP 36 Ca 0.00 -3.58 -0.26 0.00 -0.50 0.00 0.00 54.79 50.45 3da7 n ASP 36 Cb 0.00 -0.43 -0.00 0.00 -1.14 0.00 0.00 41.12 39.55 3da7 n ASP 36 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3da7 n HIS 37 N -0.52 -1.73 -1.01 2.11 -0.00 -0.80 -2.60 115.22 110.67 3da7 n HIS 37 Ca 0.37 0.70 -0.00 0.00 -0.00 0.00 0.00 57.72 58.78 3da7 n HIS 37 Cb 0.77 -3.77 -0.00 0.00 -0.00 0.00 0.00 29.99 26.98 3da7 n HIS 37 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3da7 n TYR 38 N -4.35 0.00 -0.05 1.57 4.02 -1.26 -4.91 117.16 112.18 3da7 n TYR 38 Ca -0.27 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.47 3da7 n TYR 38 Cb 0.67 -0.33 -0.07 0.00 -0.02 0.00 0.00 39.34 39.59 3da7 n TYR 38 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3da7 h GLN 39 N 0.80 0.59 -4.09 -0.72 4.20 -1.92 -3.45 115.11 110.51 3da7 h GLN 39 Ca -0.00 -0.40 -0.21 0.00 0.06 0.00 0.00 58.65 58.09 3da7 h GLN 39 Cb 0.14 0.06 -0.22 0.00 0.30 0.00 0.00 27.48 27.76 3da7 h GLN 39 CO 0.01 1.02 -0.71 0.95 -0.67 0.00 0.00 178.83 179.42 3da7 s THR 40 N -3.95 0.20 0.08 -0.54 -4.23 -1.26 -5.13 115.64 100.81 3da7 s THR 40 Ca -0.13 -0.79 0.09 0.00 -1.18 0.00 0.00 61.69 59.69 3da7 s THR 40 Cb 0.07 -0.31 -0.03 0.00 1.34 0.00 0.00 72.50 73.57 3da7 s THR 40 CO 0.83 -0.38 -0.25 -0.36 -0.54 0.00 0.00 174.62 173.92 3da7 s PHE 41 N -1.19 2.19 0.01 3.99 0.08 -1.26 -4.49 117.98 117.32 3da7 s PHE 41 Ca -0.12 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.59 3da7 s PHE 41 Cb -0.08 -1.26 -0.02 0.00 -0.57 0.00 0.00 43.02 41.09 3da7 s PHE 41 CO -0.01 0.19 -0.16 0.99 -0.10 0.00 0.00 175.22 176.14 3da7 s THR 42 N -0.92 1.30 0.33 0.64 2.01 -0.73 -4.96 115.64 113.32 3da7 s THR 42 Ca 0.11 -0.87 -0.28 0.00 0.31 0.00 0.00 61.69 60.97 3da7 s THR 42 Cb -0.10 -1.12 -0.09 0.00 0.01 0.00 0.00 72.50 71.20 3da7 s THR 42 CO 0.03 0.24 1.17 -0.75 -0.69 0.00 0.00 174.62 174.62 3da7 s LYS 43 N -0.73 4.38 -0.06 4.92 2.20 -1.26 -0.89 119.74 128.29 3da7 s LYS 43 Ca 0.05 1.91 -0.24 0.00 -0.36 0.00 0.00 55.97 57.33 3da7 s LYS 43 Cb -0.07 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.23 3da7 s LYS 43 CO 0.00 -0.06 0.72 0.42 -0.36 0.00 0.00 175.35 176.07 3da7 s ILE 44 N -1.25 5.03 0.00 5.43 1.01 -0.52 -4.84 121.20 126.05 3da7 s ILE 44 Ca 0.50 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.63 3da7 s ILE 44 Cb -0.33 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.08 3da7 s ILE 44 CO 0.43 0.25 0.67 0.54 0.00 0.00 0.00 174.94 176.82 3da7 n ARG 45 N 3.76 1.17 0.00 2.79 3.00 -1.26 -4.84 116.66 121.29 3da7 n ARG 45 Ca -0.01 -0.88 0.00 0.00 -0.01 0.00 0.00 57.85 56.95 3da7 n ARG 45 Cb 0.51 -0.75 0.00 0.00 0.00 0.00 0.00 32.46 32.22 3da7 n ARG 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3da7 n ASP 54 N -0.21 0.00 -0.02 0.55 9.92 -1.26 -5.15 116.55 120.38 3da7 n ASP 54 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 3da7 n ASP 54 Cb 0.33 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.68 3da7 n ASP 54 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3da7 n GLY 55 N 0.00 -1.08 0.33 0.44 0.00 -1.26 -3.98 105.19 99.63 3da7 n GLY 55 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 3da7 n GLY 55 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3da7 h VAL 56 N 0.00 1.22 -0.27 1.61 2.07 -2.02 -2.27 116.25 116.59 3da7 h VAL 56 Ca -0.27 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 66.85 3da7 h VAL 56 Cb 1.76 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 3da7 h VAL 56 CO 0.04 0.22 -0.06 0.00 0.02 0.00 0.00 177.57 177.80 3da7 h ALA 57 N 1.29 0.19 -0.35 1.67 0.00 -2.00 -0.32 119.26 119.73 3da7 h ALA 57 Ca 0.30 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 3da7 h ALA 57 Cb -0.09 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3da7 h ALA 57 CO -0.06 -0.46 0.09 0.22 0.00 0.00 0.00 179.25 179.04 3da7 h ASP 58 N 0.01 0.46 -0.21 0.00 1.82 -1.64 -0.86 116.42 116.01 3da7 h ASP 58 Ca 0.13 -0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.64 3da7 h ASP 58 Cb 0.19 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.08 3da7 h ASP 58 CO -0.27 0.46 -0.14 0.22 -1.61 0.00 0.00 179.24 177.91 3da7 h TYR 59 N 0.50 0.54 -0.19 0.28 5.03 -0.92 -0.64 116.97 121.57 3da7 h TYR 59 Ca 0.12 -0.14 0.04 0.00 2.58 0.00 0.00 58.73 61.32 3da7 h TYR 59 Cb 0.18 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.31 3da7 h TYR 59 CO 0.01 0.77 -0.04 -0.07 -1.32 0.00 0.00 178.16 177.51 3da7 h LEU 60 N 0.15 -0.17 -1.01 2.82 3.38 -0.78 0.59 115.31 120.29 3da7 h LEU 60 Ca 0.04 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3da7 h LEU 60 Cb 0.65 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 3da7 h LEU 60 CO 0.04 -0.06 0.66 1.56 0.09 0.00 0.00 178.44 180.73 3da7 h GLN 61 N 0.01 1.27 -0.00 1.13 1.08 -1.08 0.77 115.11 118.29 3da7 h GLN 61 Ca 0.09 -0.08 -0.10 0.00 -1.45 0.00 0.00 58.65 57.11 3da7 h GLN 61 Cb 0.14 -0.29 0.01 0.00 -0.05 0.00 0.00 27.48 27.29 3da7 h GLN 61 CO -0.19 0.84 -0.40 1.15 -0.95 0.00 0.00 178.83 179.27 3da7 h THR 62 N 1.31 1.49 0.00 -0.54 2.02 -0.71 -3.40 112.91 113.09 3da7 h THR 62 Ca 0.39 -2.00 0.00 0.00 0.77 0.00 0.00 66.41 65.57 3da7 h THR 62 Cb -0.06 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 3da7 h THR 62 CO -0.11 0.56 -0.73 -1.22 0.37 0.00 0.00 175.52 174.40 3da7 n TYR 63 N -4.38 0.00 -2.76 3.16 4.01 0.20 -4.99 117.16 112.40 3da7 n TYR 63 Ca -0.10 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.45 3da7 n TYR 63 Cb 0.58 -0.05 0.02 0.00 -0.31 0.00 0.00 39.34 39.58 3da7 n TYR 63 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3da7 n HIS 64 N -1.39 -1.48 -3.55 -0.72 8.25 0.27 -4.96 115.22 111.63 3da7 n HIS 64 Ca 0.01 0.33 -0.09 0.00 -0.26 0.00 0.00 57.72 57.72 3da7 n HIS 64 Cb 0.20 -3.93 -0.02 0.00 1.12 0.00 0.00 29.99 27.36 3da7 n HIS 64 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 3da7 s LYS 65 N -5.37 1.18 0.51 -0.41 -2.85 -1.26 -5.06 119.74 106.48 3da7 s LYS 65 Ca 0.19 -0.50 -0.18 0.00 -1.00 0.00 0.00 55.97 54.48 3da7 s LYS 65 Cb -0.09 0.50 -0.07 0.00 -2.06 0.00 0.00 37.83 36.11 3da7 s LYS 65 CO 0.24 -0.52 1.01 -0.51 0.10 0.00 0.00 175.35 175.67 3da7 s LEU 66 N -2.70 3.71 1.07 2.77 1.43 -1.26 -3.98 118.68 119.71 3da7 s LEU 66 Ca 0.05 1.75 -0.19 0.00 -1.03 0.00 0.00 54.13 54.71 3da7 s LEU 66 Cb -0.02 -4.53 0.05 0.00 0.03 0.00 0.00 46.19 41.72 3da7 s LEU 66 CO -0.07 -0.75 -0.13 -2.65 0.23 0.00 0.00 176.35 172.98 3da7 n PRO 67 N -1.37 -1.14 0.01 1.29 -0.02 -1.26 -4.88 135.00 127.64 3da7 n PRO 67 Ca 0.08 -0.31 0.10 0.00 -2.02 0.00 0.00 63.50 61.35 3da7 n PRO 67 Cb 0.53 -1.62 0.44 0.00 -0.02 0.00 0.00 33.50 32.83 3da7 n PRO 67 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3da7 n ASP 68 N -0.85 0.07 -0.96 2.55 8.00 -1.26 -3.43 116.55 120.66 3da7 n ASP 68 Ca 0.01 0.51 0.03 0.00 0.71 0.00 0.00 54.79 56.05 3da7 n ASP 68 Cb 0.62 -0.53 0.15 0.00 -0.02 0.00 0.00 41.12 41.34 3da7 n ASP 68 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3da7 n ASN 69 N -1.57 2.64 -4.33 -2.24 6.94 -1.26 -4.88 115.26 110.56 3da7 n ASN 69 Ca 0.05 -2.31 -0.32 0.00 -0.02 0.00 0.00 54.58 51.98 3da7 n ASN 69 Cb 0.25 -0.52 -0.15 0.00 -2.36 0.00 0.00 39.78 36.99 3da7 n ASN 69 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 3da7 s TYR 70 N -1.67 2.51 0.06 -2.53 2.02 -1.22 0.99 117.35 117.51 3da7 s TYR 70 Ca 0.21 -0.55 0.05 0.00 -0.37 0.00 0.00 57.07 56.40 3da7 s TYR 70 Cb 0.15 -1.61 -0.03 0.00 -0.40 0.00 0.00 41.96 40.07 3da7 s TYR 70 CO 0.07 -0.10 -0.13 0.96 -1.57 0.00 0.00 175.55 174.78 3da7 s ILE 71 N -0.31 1.01 0.72 2.71 -4.36 -0.28 -4.91 121.20 115.78 3da7 s ILE 71 Ca 0.01 -1.17 -0.12 0.00 -0.26 0.00 0.00 60.65 59.10 3da7 s ILE 71 Cb -0.13 -0.97 0.03 0.00 1.25 0.00 0.00 42.46 42.64 3da7 s ILE 71 CO 0.02 -0.18 1.10 0.42 0.24 0.00 0.00 174.94 176.54 3da7 s THR 72 N -1.16 3.34 0.25 8.37 -4.23 -1.21 -1.97 115.64 119.02 3da7 s THR 72 Ca -0.02 0.51 -0.04 0.00 -1.18 0.00 0.00 61.69 60.96 3da7 s THR 72 Cb -0.09 -3.03 0.22 0.00 1.34 0.00 0.00 72.50 70.94 3da7 s THR 72 CO 0.02 -0.49 1.74 0.11 -0.54 0.00 0.00 174.62 175.46 3da7 h LYS 73 N -0.59 0.47 0.00 3.99 1.57 -1.96 0.28 116.57 120.33 3da7 h LYS 73 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3da7 h LYS 73 Cb 1.24 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3da7 h LYS 73 CO 0.53 0.31 0.00 -1.13 -0.57 0.00 0.00 179.45 178.59 3da7 n SER 74 N -4.97 0.00 0.13 0.86 3.41 -1.26 -1.17 113.62 110.62 3da7 n SER 74 Ca 0.14 0.44 -0.24 0.00 -0.26 0.00 0.00 58.87 58.95 3da7 n SER 74 Cb 0.41 -0.48 -0.15 0.00 -0.26 0.00 0.00 64.21 63.73 3da7 n SER 74 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3da7 h GLU 75 N 0.00 0.57 -0.45 4.33 5.08 -1.35 -3.05 114.58 119.71 3da7 h GLU 75 Ca 0.00 -0.89 -0.05 0.00 -1.00 0.00 0.00 59.36 57.42 3da7 h GLU 75 Cb 0.45 0.32 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 3da7 h GLU 75 CO 0.00 1.42 0.09 0.00 -1.00 0.00 0.00 179.01 179.52 3da7 h ALA 76 N 0.21 1.31 0.00 3.43 0.00 -0.46 -2.03 119.26 121.73 3da7 h ALA 76 Ca -0.23 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3da7 h ALA 76 Cb 2.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3da7 h ALA 76 CO 0.26 0.48 0.00 1.96 0.00 0.00 0.00 179.25 181.95 3da7 h GLN 77 N 0.66 0.00 0.00 0.00 4.20 -1.22 0.90 115.11 119.65 3da7 h GLN 77 Ca 0.15 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.68 3da7 h GLN 77 Cb 0.28 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 3da7 h GLN 77 CO 0.00 0.00 -0.94 0.00 -0.67 0.00 0.00 178.83 177.22 3da7 h ALA 78 N 2.20 0.56 -0.02 3.87 0.00 -1.31 -2.79 119.26 121.77 3da7 h ALA 78 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3da7 h ALA 78 Cb 0.71 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3da7 h ALA 78 CO 0.00 1.00 0.00 1.28 0.00 0.00 0.00 179.25 181.53 3da7 n LEU 79 N -3.21 0.34 0.00 0.00 4.77 -0.81 -4.90 117.00 113.19 3da7 n LEU 79 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3da7 n LEU 79 Cb 0.86 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 3da7 n LEU 79 CO 0.44 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3da7 n GLY 80 N 0.96 0.42 3.76 -0.72 0.00 -0.84 -4.78 105.19 104.00 3da7 n GLY 80 Ca 0.19 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 3da7 n GLY 80 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3da7 s TRP 81 N -2.00 3.03 -0.14 1.61 -0.00 0.31 -4.95 118.94 116.80 3da7 s TRP 81 Ca 0.00 1.34 -0.01 0.00 -0.00 0.00 0.00 56.10 57.43 3da7 s TRP 81 Cb 0.00 -3.71 0.04 0.00 -0.00 0.00 0.00 33.47 29.80 3da7 s TRP 81 CO 0.00 -2.03 -0.03 0.08 -0.00 0.00 0.00 176.95 174.97 3da7 s VAL 82 N -0.91 0.86 0.22 5.86 1.01 -1.26 -4.48 120.40 121.70 3da7 s VAL 82 Ca 0.51 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 3da7 s VAL 82 Cb -0.40 -1.05 0.17 0.00 0.00 0.00 0.00 36.38 35.10 3da7 s VAL 82 CO 0.51 0.14 1.72 0.00 0.00 0.00 0.00 175.10 177.48 3da7 h ALA 83 N 8.19 0.82 0.23 5.51 0.00 -2.00 -2.69 119.26 129.32 3da7 h ALA 83 Ca -0.23 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3da7 h ALA 83 Cb 1.12 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 3da7 h ALA 83 CO 0.36 -0.25 -0.43 0.77 0.00 0.00 0.00 179.25 179.71 3da7 h SER 84 N 0.35 -1.23 -0.89 0.00 0.02 -2.04 -2.82 113.55 106.95 3da7 h SER 84 Ca 0.34 0.12 0.11 0.00 -0.84 0.00 0.00 61.79 61.52 3da7 h SER 84 Cb 0.49 0.44 -0.08 0.00 0.14 0.00 0.00 62.40 63.39 3da7 h SER 84 CO -0.38 -0.53 0.52 0.11 -1.14 0.00 0.00 176.83 175.42 3da7 h LYS 85 N -0.73 0.82 -2.88 3.45 1.57 -1.93 -3.47 116.57 113.40 3da7 h LYS 85 Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3da7 h LYS 85 Cb 0.72 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3da7 h LYS 85 CO -0.18 0.54 0.00 0.41 -0.57 0.00 0.00 179.45 179.65 3da7 n GLY 86 N -1.33 -0.02 0.01 3.86 0.00 -1.07 -4.91 105.19 101.74 3da7 n GLY 86 Ca 0.16 -0.24 0.03 0.00 0.00 0.00 0.00 46.02 45.97 3da7 n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3da7 n ASN 87 N -1.06 0.33 0.07 1.61 5.15 -1.26 -4.52 115.26 115.59 3da7 n ASN 87 Ca 0.00 -0.66 -0.21 0.00 -0.60 0.00 0.00 54.58 53.10 3da7 n ASN 87 Cb 0.48 0.96 -0.13 0.00 -0.53 0.00 0.00 39.78 40.55 3da7 n ASN 87 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3da7 h LEU 88 N 0.05 0.72 -2.28 1.20 5.85 -1.89 -2.37 115.31 116.59 3da7 h LEU 88 Ca 0.00 -0.86 0.03 0.00 0.84 0.00 0.00 57.88 57.89 3da7 h LEU 88 Cb 0.14 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 3da7 h LEU 88 CO 0.00 1.50 0.09 0.00 -0.34 0.00 0.00 178.44 179.70 3da7 h ALA 89 N 0.22 1.76 0.09 1.25 0.00 -1.83 0.29 119.26 121.04 3da7 h ALA 89 Ca -0.17 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.38 3da7 h ALA 89 Cb 1.77 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 3da7 h ALA 89 CO 0.20 -0.14 -2.05 -0.25 0.00 0.00 0.00 179.25 177.01 3da7 n ASP 90 N -3.98 2.08 0.05 0.00 8.00 -1.10 -3.64 116.55 117.96 3da7 n ASP 90 Ca -0.01 0.16 -0.03 0.00 0.71 0.00 0.00 54.79 55.63 3da7 n ASP 90 Cb 0.20 -0.79 -0.08 0.00 -0.02 0.00 0.00 41.12 40.43 3da7 n ASP 90 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3da7 h VAL 91 N -0.03 0.84 -2.42 2.53 -1.51 -1.38 -3.40 116.25 110.89 3da7 h VAL 91 Ca -0.45 -2.42 -0.59 0.00 -1.23 0.00 0.00 66.70 62.01 3da7 h VAL 91 Cb 1.96 2.32 -0.40 0.00 -2.13 0.00 0.00 31.29 33.04 3da7 h VAL 91 CO 0.03 0.48 -0.85 0.00 -1.23 0.00 0.00 177.57 176.00 3da7 n ALA 92 N -2.39 3.09 -1.64 5.19 0.00 1.00 -4.89 120.51 120.87 3da7 n ALA 92 Ca -0.07 -3.79 -0.47 0.00 0.00 0.00 0.00 53.44 49.10 3da7 n ALA 92 Cb 0.88 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 19.43 3da7 n ALA 92 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3da7 n PRO 93 N 1.95 2.08 -0.25 0.00 -0.02 -1.24 -1.91 135.00 135.62 3da7 n PRO 93 Ca 0.25 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 3da7 n PRO 93 Cb 0.45 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 3da7 n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3da7 n GLY 94 N 4.92 1.63 3.89 -1.23 0.00 -1.26 -5.04 105.19 108.09 3da7 n GLY 94 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 3da7 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3da7 s LYS 95 N -0.31 3.60 0.31 1.61 -0.14 -0.80 -4.88 119.74 119.14 3da7 s LYS 95 Ca 0.00 0.41 0.11 0.00 -1.36 0.00 0.00 55.97 55.13 3da7 s LYS 95 Cb 0.00 -2.29 -0.06 0.00 -1.68 0.00 0.00 37.83 33.80 3da7 s LYS 95 CO 0.00 -0.28 -0.14 -1.12 -0.76 0.00 0.00 175.35 173.04 3da7 s SER 96 N -3.96 3.68 0.00 2.83 0.01 0.28 -4.85 113.70 111.69 3da7 s SER 96 Ca 0.50 -1.11 -0.25 0.00 1.31 0.00 0.00 55.95 56.40 3da7 s SER 96 Cb -0.10 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 3da7 s SER 96 CO 0.45 -0.09 0.79 -0.63 0.41 0.00 0.00 173.24 174.17 3da7 s ILE 97 N -2.56 4.85 -0.21 1.44 -1.09 -1.26 -1.12 121.20 121.25 3da7 s ILE 97 Ca 0.31 1.66 -0.35 0.00 -2.23 0.00 0.00 60.65 60.04 3da7 s ILE 97 Cb -0.01 -4.13 0.14 0.00 -1.58 0.00 0.00 42.46 36.88 3da7 s ILE 97 CO 0.16 0.29 1.24 -0.83 -1.23 0.00 0.00 174.94 174.57 3da7 s GLY 98 N 0.42 -0.25 0.00 6.18 0.00 -0.83 -0.32 107.32 112.51 3da7 s GLY 98 Ca 0.41 1.75 0.00 0.00 0.00 0.00 0.00 44.72 46.88 3da7 s GLY 98 CO 0.22 0.61 0.00 0.61 0.00 0.00 0.00 173.10 174.54 3da7 n GLY 99 N -0.01 0.14 3.79 0.20 0.00 0.21 -3.32 105.19 106.19 3da7 n GLY 99 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3da7 n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3da7 s ASP 100 N -2.00 6.48 0.23 1.61 1.01 -1.18 -4.73 116.67 118.08 3da7 s ASP 100 Ca 0.00 2.01 -0.31 0.00 0.71 0.00 0.00 52.55 54.96 3da7 s ASP 100 Cb 0.00 -2.57 -0.14 0.00 1.01 0.00 0.00 42.92 41.22 3da7 s ASP 100 CO 0.00 -0.69 1.37 -0.38 0.21 0.00 0.00 175.17 175.68 3da7 n ILE 101 N -0.57 0.93 -4.12 0.77 5.41 -1.26 -1.06 119.36 119.46 3da7 n ILE 101 Ca 0.07 -0.23 -0.34 0.00 1.00 0.00 0.00 62.75 63.25 3da7 n ILE 101 Cb 0.51 -1.37 -0.15 0.00 -0.71 0.00 0.00 39.64 37.92 3da7 n ILE 101 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 3da7 s PHE 102 N -0.07 2.86 -2.39 1.39 5.36 -0.43 -4.72 117.98 120.00 3da7 s PHE 102 Ca 0.69 -1.17 0.28 0.00 -0.96 0.00 0.00 56.93 55.77 3da7 s PHE 102 Cb -0.68 -2.00 0.96 0.00 -0.34 0.00 0.00 43.02 40.97 3da7 s PHE 102 CO 0.50 -0.60 1.69 0.43 -1.46 0.00 0.00 175.22 175.78 3da7 n SER 103 N 4.55 1.47 -3.84 6.13 7.64 -1.26 -3.92 113.62 124.40 3da7 n SER 103 Ca -0.19 -1.41 -0.26 0.00 1.01 0.00 0.00 58.87 58.01 3da7 n SER 103 Cb 0.51 0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.74 3da7 n SER 103 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3da7 n ASN 104 N 0.07 -1.74 0.17 6.43 5.15 -1.26 -4.81 115.26 119.27 3da7 n ASN 104 Ca 0.18 -0.98 0.13 0.00 -0.60 0.00 0.00 54.58 53.31 3da7 n ASN 104 Cb 0.36 -3.32 0.53 0.00 -0.53 0.00 0.00 39.78 36.83 3da7 n ASN 104 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 3da7 h ARG 105 N -1.86 0.00 -0.19 1.20 3.08 -2.00 -1.61 114.38 113.00 3da7 h ARG 105 Ca -0.64 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.41 3da7 h ARG 105 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 3da7 h ARG 105 CO 0.58 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.87 3da7 n GLU 106 N -2.48 2.32 -1.98 0.04 -0.58 -1.26 -4.96 120.64 111.74 3da7 n GLU 106 Ca 0.02 -2.05 -0.18 0.00 -0.42 0.00 0.00 57.16 54.53 3da7 n GLU 106 Cb 0.27 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 29.63 3da7 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3da7 n GLY 107 N 1.36 0.58 0.18 0.62 0.00 -0.60 -4.89 105.19 102.44 3da7 n GLY 107 Ca 0.16 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.15 3da7 n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3da7 h LYS 108 N 0.00 0.00 -6.04 1.61 1.57 -1.93 -3.45 116.57 108.32 3da7 h LYS 108 Ca -0.40 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.78 3da7 h LYS 108 Cb 1.26 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.52 3da7 h LYS 108 CO 0.52 0.06 -0.52 -0.51 -0.57 0.00 0.00 179.45 178.44 3da7 s LEU 109 N -6.02 4.16 0.09 2.94 1.43 -1.26 -4.96 118.68 115.06 3da7 s LEU 109 Ca 0.05 0.13 -0.35 0.00 -1.03 0.00 0.00 54.13 52.93 3da7 s LEU 109 Cb 0.06 -2.77 -0.19 0.00 0.03 0.00 0.00 46.19 43.33 3da7 s LEU 109 CO 0.71 0.12 0.87 -2.65 0.23 0.00 0.00 176.35 175.63 3da7 n PRO 110 N 0.00 0.08 0.00 1.29 -0.02 -1.26 -5.10 135.00 129.98 3da7 n PRO 110 Ca -0.07 0.03 0.05 0.00 -2.02 0.00 0.00 63.50 61.49 3da7 n PRO 110 Cb 0.52 -1.34 0.31 0.00 -0.02 0.00 0.00 33.50 32.98 3da7 n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89